A0A087XT81_POEFO Loading...

Tetratricopeptide repeat protein 38

AlphaFold DB , UniProt , Accession A0A087XT81, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 466 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.8	Very low	80	Confident	238 Å²	238	70.9 Å²	70.9	100%	1.172	41%	0.41	S	S	*	.				0	104.3	0	-93.6	-171.4	-81.7	0	0	106.6	A3	M1-A3 PolarHBondContact O-N 3.17Å
2	I	53.1	Low	81.5	Confident	45 Å²	45	65.4 Å²	65.4	23%	0.231	38%	0.377	C	S	.	.			trans	-62.3	125.8	174.2	-61.9	162.2	0	0	0	106.9	F6 E25 K28 L29	I2-F6 HydrophobicContact CG2-CD2 3.69Å; I2-F6 HydrophobicContact CG2-CE2 4.37Å; I2-E25 HydrophobicContact CD1-CG 3.89Å; I2-K28 HydrophobicContact CG2-CB 3.91Å; I2-K28 HydrophobicContact CG2-CD 4.45Å; I2-L29 HydrophobicContact CD1-CD1 4.07Å; I2-L29 HydrophobicContact CD1-CD2 3.52Å; I2-L29 HydrophobicContact CD1-CG 3.59Å; I2-L29 HydrophobicContact CG1-CD2 4.14Å
3	A	53.9	Low	82.7	Confident	44 Å²	44	68.8 Å²	68.8	36%	0.364	39%	0.385	S	S	.	.			trans	-50.3	144.3	-171.4	0	0	0	0	0	112	M1 S5 F6	M1-A3 PolarHBondContact O-N 3.17Å; A3-S5 WeakPolarHBondContact CB-OG 3.4Å; A3-S5 PolarHBondContact O-N 3.37Å; A3-F6 HydrophobicContact CB-CD2 4.27Å; A3-F6 HydrophobicContact CB-CE2 4.16Å; A3-F6 PolarHBondContact O-N 3.11Å
4	S	60.9	Low	83.6	Confident	121 Å²	121	72.2 Å²	72.2	85%	0.846	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-4.1	177	56.5	0	0	0	0	114.1
5	S	84	Confident	84.3	Confident	92 Å²	92	71.1 Å²	71.1	64%	0.643	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-18	-176.2	53.8	0	0	0	0	115	A3	A3-S5 WeakPolarHBondContact CB-OG 3.4Å; A3-S5 PolarHBondContact O-N 3.37Å
6	F	95.3	Very high	85	Confident	27 Å²	27	70.9 Å²	70.9	12%	0.118	40%	0.403	C	S	.	.	S	Bend	trans	-81.9	144.6	178.9	-64.5	-63.3	0	0	0	111.7	I2 A3 D8 K28 D31 A32 T35 L46	I2-F6 HydrophobicContact CG2-CD2 3.69Å; I2-F6 HydrophobicContact CG2-CE2 4.37Å; A3-F6 HydrophobicContact CB-CD2 4.27Å; A3-F6 HydrophobicContact CB-CE2 4.16Å; A3-F6 PolarHBondContact O-N 3.11Å; F6-D8 PolarHBondContact O-N 3.11Å; F6-K28 HydrophobicContact CB-CB 3.92Å; F6-K28 HydrophobicContact CB-CG 4.03Å; F6-D31 WeakPolarHBondContact CA-OD2 3.25Å; F6-D31 HydrophobicContact CB-CB 4.25Å; F6-D31 HydrophobicContact CD1-CB 4.32Å; F6-A32 HydrophobicContact CD1-CB 4.04Å; F6-A32 HydrophobicContact CD2-CB 4.11Å; F6-A32 HydrophobicContact CE1-CB 3.82Å; F6-A32 HydrophobicContact CE2-CB 3.87Å; F6-A32 HydrophobicContact CG-CB 4.19Å; F6-A32 HydrophobicContact CZ-CB 3.71Å; F6-T35 HydrophobicContact CE1-CG2 4.34Å; F6-L46 HydrophobicContact CE2-CD1 3.73Å; F6-L46 HydrophobicContact CZ-CD1 3.83Å
7	R	96.7	Very high	85.8	Confident	24 Å²	24	66.9 Å²	66.9	9%	0.091	38%	0.38	C	S	.	.			trans	-65.8	124.8	-178.2	-69.1	178	-77.5	-177.5	-0.2	110.9	A11 W12 S27 K28 D31	R7-A11 HydrophobicContact CB-CB 3.83Å; R7-A11 HydrophobicContact CG-CB 3.96Å; R7-W12 HydrophobicContact CB-CD2 4.44Å; R7-W12 HydrophobicContact CB-CG 4.18Å; R7-W12 VanDerWaalsContact CZ-CZ2 3.42Å; R7-W12 VanDerWaalsContact NH2-CZ2 3.3Å; R7-W12 PolarHBondContact O-NE1 3.45Å; R7-S27 CarbonylContact O-C 3.57Å; R7-K28 WeakPolarHBondContact O-CA 3.34Å; R7-K28 WeakPolarHBondContact O-CG 3.48Å; R7-K28 PolarHBondContact O-N 3.42Å; R7-D31 HydrophobicContact CB-CB 4.32Å; R7-D31 WeakPolarHBondContact CB-OD2 3.46Å; R7-D31 IonicContact CZ-OD1 3.96Å; R7-D31 PolarHBondContact N-OD2 2.99Å; R7-D31 IonicContact NE-OD1 3.26Å; R7-D31 PolarHBondContact NE-OD1 3.2Å; R7-D31 IonicContact NE-OD2 2.64Å; R7-D31 PolarHBondContact NE-OD2 3.22Å; R7-D31 IonicContact NH2-OD1 2.7Å; R7-D31 PolarHBondContact NH2-OD1 3.24Å
8	D	97.3	Very high	86.4	Confident	46 Å²	46	66.1 Å²	66.1	25%	0.246	38%	0.378	C	S	.	.			trans	-86.8	-174.9	168.8	68.4	17.9	0	0	0	111.5	F6 Q10 A11 W12 N24 K28	F6-D8 PolarHBondContact O-N 3.11Å; D8-Q10 PolarHBondContact O-N 2.91Å; D8-Q10 PolarHBondContact OD1-N 3.32Å; D8-A11 PolarHBondContact O-N 3.09Å; D8-A11 PolarHBondContact OD1-N 3.37Å; D8-W12 VanDerWaalsContact O-CD1 3.25Å; D8-W12 PolarHBondContact O-N 3.48Å; D8-N24 HydrophobicContact CB-CB 4.18Å; D8-K28 HydrophobicContact CB-CG 4.32Å
9	C	97.8	Very high	87	Confident	11 Å²	11	63.2 Å²	63.2	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-59	-35	-177.3	-55.3	0	0	0	0	112.5	K13 S23 N24 S27	C9-K13 VanDerWaalsContact O-CG 3.3Å; C9-K13 WeakPolarHBondContact O-CG 3.39Å; C9-K13 PolarHBondContact O-N 3.32Å; C9-S23 VanDerWaalsContact SG-C 3.59Å; C9-N24 WeakPolarHBondContact CB-OD1 3.3Å; C9-N24 PolarHBondContact N-OD1 3.39Å; C9-N24 PolarHBondContact SG-OD1 3.35Å; C9-S27 PolarHBondContact SG-OG 3.34Å
10	Q	97.6	Very high	87.5	Confident	102 Å²	102	62.2 Å²	62.2	48%	0.477	36%	0.358	S	S	.	.	H	α-helix	trans	-75.1	-44.3	-179.2	-173.1	58.5	49	0	0	110.4	D8 W12 K13 D14	D8-Q10 PolarHBondContact O-N 2.91Å; D8-Q10 PolarHBondContact OD1-N 3.32Å; Q10-W12 VanDerWaalsContact C-N 3.3Å; Q10-W12 PolarHBondContact O-N 3.45Å; Q10-K13 WeakPolarHBondContact O-CA 3.42Å; Q10-K13 WeakPolarHBondContact O-CB 3.35Å; Q10-K13 PolarHBondContact O-N 3.16Å; Q10-D14 PolarHBondContact NE2-OD1 2.93Å; Q10-D14 PolarHBondContact O-N 3.19Å
11	A	96.4	Very high	87.9	Confident	30 Å²	30	59.6 Å²	59.6	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-59.6	-39.7	176.6	0	0	0	0	0	112.3	R7 D8 K13 D14 E15	R7-A11 HydrophobicContact CB-CB 3.83Å; R7-A11 HydrophobicContact CG-CB 3.96Å; D8-A11 PolarHBondContact O-N 3.09Å; D8-A11 PolarHBondContact OD1-N 3.37Å; A11-K13 PolarHBondContact O-N 2.96Å; A11-D14 PolarHBondContact O-N 3.46Å; A11-E15 WeakPolarHBondContact O-CG 3.11Å; A11-E15 PolarHBondContact O-N 2.8Å; A11-E15 VanDerWaalsContact O-N 3.1Å
12	W	97.6	Very high	90.3	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.019	33%	0.326	C	S	.	.	H	α-helix	trans	-64.6	-36.2	173.8	-83.2	107.1	0	0	0	113.2	R7 D8 Q10 L17 L19 Y30 D31 L34	R7-W12 HydrophobicContact CB-CD2 4.44Å; R7-W12 HydrophobicContact CB-CG 4.18Å; R7-W12 VanDerWaalsContact CZ-CZ2 3.42Å; R7-W12 VanDerWaalsContact NH2-CZ2 3.3Å; R7-W12 PolarHBondContact O-NE1 3.45Å; D8-W12 VanDerWaalsContact O-CD1 3.25Å; D8-W12 PolarHBondContact O-N 3.48Å; Q10-W12 VanDerWaalsContact C-N 3.3Å; Q10-W12 PolarHBondContact O-N 3.45Å; W12-L17 HydrophobicContact CE3-CB 3.76Å; W12-L17 HydrophobicContact CE3-CD1 4.41Å; W12-L17 HydrophobicContact CZ3-CB 4.09Å; W12-L17 HydrophobicContact CZ3-CD1 4Å; W12-L17 CarbonylContact O-C 3.46Å; W12-L17 WeakPolarHBondContact O-CA 3.48Å; W12-L17 PolarHBondContact O-N 3.45Å; W12-L19 HydrophobicContact CB-CD1 4.18Å; W12-L19 HydrophobicContact CB-CG 4.21Å; W12-L19 VanDerWaalsContact CD1-CD1 3.42Å; W12-L19 HydrophobicContact CD2-CD1 3.84Å; W12-L19 HydrophobicContact CD2-CG 4.24Å; W12-L19 HydrophobicContact CG-CD1 3.57Å; W12-L19 HydrophobicContact CG-CG 4.02Å; W12-Y30 AromaticContact CE2-CD1 3.96Å; W12-Y30 HydrophobicContact CH2-CD1 4.1Å; W12-Y30 AromaticContact CH2-CE1 3.57Å; W12-Y30 HydrophobicContact CH2-CE1 3.57Å; W12-Y30 AromaticContact CZ2-CD1 3.5Å; W12-Y30 HydrophobicContact CZ2-CD1 3.5Å; W12-Y30 AromaticContact CZ2-CE1 3.49Å; W12-Y30 HydrophobicContact CZ2-CE1 3.49Å; W12-Y30 VanDerWaalsContact CZ2-CE1 3.49Å; W12-Y30 HydrophobicContact CZ3-CE1 4.35Å; W12-D31 HydrophobicContact CZ2-CB 3.97Å; W12-L34 HydrophobicContact CH2-CD2 3.81Å; W12-L34 HydrophobicContact CZ2-CD2 4.34Å
13	K	97.1	Very high	92.4	Very high	109 Å²	109	52.9 Å²	52.9	47%	0.474	32%	0.324	S	S	.	.	H	α-helix	trans	-66.8	-41.7	173.1	-73.6	168.4	-176.4	179	0	111.9	C9 Q10 A11 E15 A16 P18	C9-K13 VanDerWaalsContact O-CG 3.3Å; C9-K13 WeakPolarHBondContact O-CG 3.39Å; C9-K13 PolarHBondContact O-N 3.32Å; Q10-K13 WeakPolarHBondContact O-CA 3.42Å; Q10-K13 WeakPolarHBondContact O-CB 3.35Å; Q10-K13 PolarHBondContact O-N 3.16Å; A11-K13 PolarHBondContact O-N 2.96Å; K13-E15 PolarHBondContact O-N 3.43Å; K13-A16 WeakPolarHBondContact O-CA 3.4Å; K13-A16 PolarHBondContact O-N 2.74Å; K13-P18 HydrophobicContact CG-CB 3.9Å
14	D	95.5	Very high	94.5	Very high	117 Å²	117	54.6 Å²	54.6	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-65.2	-29.8	179.8	-64.1	-18.2	0	0	0	111.7	Q10 A11 A16	Q10-D14 PolarHBondContact NE2-OD1 2.93Å; Q10-D14 PolarHBondContact O-N 3.19Å; A11-D14 PolarHBondContact O-N 3.46Å; D14-A16 PolarHBondContact O-N 3.31Å
15	E	94.1	Very high	96.2	Very high	56 Å²	56	54 Å²	54	26%	0.262	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	8.5	170.6	-66.6	-65.4	155.1	0	0	113.7	A11 K13 L17	A11-E15 WeakPolarHBondContact O-CG 3.11Å; A11-E15 PolarHBondContact O-N 2.8Å; A11-E15 VanDerWaalsContact O-N 3.1Å; K13-E15 PolarHBondContact O-N 3.43Å; E15-L17 PolarHBondContact O-N 2.87Å
16	A	95.8	Very high	96.9	Very high	67 Å²	67	49.7 Å²	49.7	55%	0.554	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	28.6	-176.7	0	0	0	0	0	114.5	K13 D14 P18	K13-A16 WeakPolarHBondContact O-CA 3.4Å; K13-A16 PolarHBondContact O-N 2.74Å; D14-A16 PolarHBondContact O-N 3.31Å; A16-P18 VanDerWaalsContact C-CD 3.43Å
17	L	97.4	Very high	97.1	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	28%	0.275	C	S	.	.			trans	-128.5	58.2	-179.3	-67.2	175.8	0	0	0	109.8	W12 E15 L19 R107 H137 D140	W12-L17 HydrophobicContact CE3-CB 3.76Å; W12-L17 HydrophobicContact CE3-CD1 4.41Å; W12-L17 HydrophobicContact CZ3-CB 4.09Å; W12-L17 HydrophobicContact CZ3-CD1 4Å; W12-L17 CarbonylContact O-C 3.46Å; W12-L17 WeakPolarHBondContact O-CA 3.48Å; W12-L17 PolarHBondContact O-N 3.45Å; E15-L17 PolarHBondContact O-N 2.87Å; L17-L19 PolarHBondContact O-N 3.37Å; L17-R107 PolarHBondContact O-NH2 3.38Å; L17-H137 HydrophobicContact CD2-CB 3.84Å; L17-D140 HydrophobicContact CD2-CB 4.18Å
18	P	97.4	Very high	97.1	Very high	53 Å²	53	49.6 Å²	49.6	34%	0.344	28%	0.281	S	S	.	.			trans	-60.2	136.8	-175.6	28.3	-36.6	0	0	0	111.9	K13 A16 R107	K13-P18 HydrophobicContact CG-CB 3.9Å; A16-P18 VanDerWaalsContact C-CD 3.43Å; P18-R107 PolarHBondContact O-NH2 2.86Å
19	L	98.1	Very high	97.2	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.052	27%	0.27	C	S	.	.			trans	-99.5	144.4	173.4	-60.7	171.8	0	0	0	109.3	W12 L17 T21 Y30 F63 M65	W12-L19 HydrophobicContact CB-CD1 4.18Å; W12-L19 HydrophobicContact CB-CG 4.21Å; W12-L19 VanDerWaalsContact CD1-CD1 3.42Å; W12-L19 HydrophobicContact CD2-CD1 3.84Å; W12-L19 HydrophobicContact CD2-CG 4.24Å; W12-L19 HydrophobicContact CG-CD1 3.57Å; W12-L19 HydrophobicContact CG-CG 4.02Å; L17-L19 PolarHBondContact O-N 3.37Å; L19-T21 VanDerWaalsContact C-N 3.28Å; L19-T21 HydrophobicContact CB-CG2 4.28Å; L19-T21 PolarHBondContact O-N 3.42Å; L19-Y30 HydrophobicContact CD1-CD1 3.98Å; L19-Y30 HydrophobicContact CD1-CE1 4.48Å; L19-Y30 HydrophobicContact CD2-CD1 4.43Å; L19-Y30 HydrophobicContact CD2-CE1 4.21Å; L19-F63 HydrophobicContact CB-CE2 3.96Å; L19-F63 HydrophobicContact CB-CZ 4.02Å; L19-F63 HydrophobicContact CD1-CZ 3.91Å; L19-F63 HydrophobicContact CD2-CE2 4.4Å; L19-F63 HydrophobicContact CD2-CZ 4.09Å; L19-F63 HydrophobicContact CG-CZ 4.22Å; L19-M65 HydrophobicContact CD2-CB 4.07Å; L19-M65 HydrophobicContact CD2-CG 3.95Å
20	S	96	Very high	97.2	Very high	44 Å²	44	47.1 Å²	47.1	31%	0.308	27%	0.267	S	S	.	.	S	Bend	trans	-70.7	-17.1	-179.1	48.7	0	0	0	0	114.8	E108	S20-E108 WeakPolarHBondContact CB-OE1 3.44Å; S20-E108 PolarHBondContact N-OE1 3.02Å; S20-E108 PolarHBondContact OG-OE1 3.45Å
21	T	97.3	Very high	97.3	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.049	25%	0.245	C	C	.	.			trans	-70.8	146.5	175.3	-174.3	0	0	0	0	112.2	L19 S23 A26 S27 D60 F63	L19-T21 VanDerWaalsContact C-N 3.28Å; L19-T21 HydrophobicContact CB-CG2 4.28Å; L19-T21 PolarHBondContact O-N 3.42Å; T21-S23 WeakPolarHBondContact OG1-CB 3.48Å; T21-S23 PolarHBondContact OG1-N 2.99Å; T21-A26 HydrophobicContact CG2-CB 4.32Å; T21-S27 WeakPolarHBondContact CG2-OG 3.39Å; T21-D60 VanDerWaalsContact CB-OD2 3.28Å; T21-D60 WeakPolarHBondContact CB-OD2 3.33Å; T21-D60 PolarHBondContact OG1-OD2 2.86Å; T21-F63 VanDerWaalsContact CB-CD2 3.5Å; T21-F63 HydrophobicContact CG2-CD1 4.12Å; T21-F63 HydrophobicContact CG2-CD2 3.79Å; T21-F63 HydrophobicContact CG2-CE1 3.95Å; T21-F63 HydrophobicContact CG2-CE2 3.65Å; T21-F63 HydrophobicContact CG2-CG 4.04Å; T21-F63 HydrophobicContact CG2-CZ 3.74Å
22	S	96.7	Very high	97.3	Very high	115 Å²	115	41.1 Å²	41.1	80%	0.804	23%	0.233	S	C	*	.			trans	-96.3	-3.8	166.7	60	0	0	0	0	112.9	N24	S22-N24 PolarHBondContact O-N 3.3Å
23	S	98	Very high	97.4	Very high	27 Å²	27	40.9 Å²	40.9	19%	0.189	23%	0.233	C	C	.	.			trans	-83.8	110.8	179.4	179.1	0	0	0	0	110.3	C9 T21 E25 A26 S27	C9-S23 VanDerWaalsContact SG-C 3.59Å; T21-S23 WeakPolarHBondContact OG1-CB 3.48Å; T21-S23 PolarHBondContact OG1-N 2.99Å; S23-E25 PolarHBondContact O-N 3.03Å; S23-E25 PolarHBondContact OG-N 3.12Å; S23-A26 PolarHBondContact O-N 3.34Å; S23-A26 PolarHBondContact OG-N 3.47Å; S23-S27 PolarHBondContact O-N 3.13Å; S23-S27 PolarHBondContact O-OG 3.23Å
24	N	97.4	Very high	97.4	Very high	80 Å²	80	35.8 Å²	35.8	43%	0.428	21%	0.211	S	C	.	.	H	α-helix	trans	-59.9	-31.9	171.6	-81.2	-17.7	0	0	0	111.9	D8 C9 S22 K28	D8-N24 HydrophobicContact CB-CB 4.18Å; C9-N24 WeakPolarHBondContact CB-OD1 3.3Å; C9-N24 PolarHBondContact N-OD1 3.39Å; C9-N24 PolarHBondContact SG-OD1 3.35Å; S22-N24 PolarHBondContact O-N 3.3Å; N24-K28 WeakPolarHBondContact O-CB 3.45Å; N24-K28 VanDerWaalsContact O-CG 3.25Å; N24-K28 WeakPolarHBondContact O-CG 3.35Å; N24-K28 PolarHBondContact O-N 3.24Å; N24-K28 VanDerWaalsContact O-N 3.12Å
25	E	97.7	Very high	97.5	Very high	109 Å²	109	31.1 Å²	31.1	51%	0.509	19%	0.186	S	C	.	.	H	α-helix	trans	-65.9	-49.1	175.4	-178.1	169.2	-157.9	0	0	111.1	I2 S23 S27 K28 L29 A59	I2-E25 HydrophobicContact CD1-CG 3.89Å; S23-E25 PolarHBondContact O-N 3.03Å; S23-E25 PolarHBondContact OG-N 3.12Å; E25-S27 PolarHBondContact O-N 2.99Å; E25-K28 PolarHBondContact O-N 2.66Å; E25-L29 HydrophobicContact CG-CD1 4Å; E25-L29 WeakPolarHBondContact O-CG 3.44Å; E25-L29 PolarHBondContact O-N 3.38Å; E25-A59 HydrophobicContact CB-CB 4.21Å; E25-A59 HydrophobicContact CG-CB 3.84Å
26	A	98.3	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-40.8	178.7	0	0	0	0	0	112.4	T21 S23 K28 L29 Y30 I56 A59 D60 F63	T21-A26 HydrophobicContact CG2-CB 4.32Å; S23-A26 PolarHBondContact O-N 3.34Å; S23-A26 PolarHBondContact OG-N 3.47Å; A26-K28 PolarHBondContact O-N 3.17Å; A26-L29 PolarHBondContact O-N 2.79Å; A26-Y30 PolarHBondContact O-N 3.14Å; A26-I56 HydrophobicContact CB-CG1 4.19Å; A26-I56 WeakPolarHBondContact O-CD1 3.38Å; A26-A59 HydrophobicContact CB-CB 4.08Å; A26-D60 HydrophobicContact CB-CB 3.78Å; A26-F63 HydrophobicContact CB-CD1 3.96Å; A26-F63 HydrophobicContact CB-CE1 4.45Å
27	S	98.2	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-41.1	175.6	-69.8	0	0	0	0	112.9	R7 C9 T21 S23 E25 Y30 D31	R7-S27 CarbonylContact O-C 3.57Å; C9-S27 PolarHBondContact SG-OG 3.34Å; T21-S27 WeakPolarHBondContact CG2-OG 3.39Å; S23-S27 PolarHBondContact O-N 3.13Å; S23-S27 PolarHBondContact O-OG 3.23Å; E25-S27 PolarHBondContact O-N 2.99Å; S27-Y30 PolarHBondContact O-N 3.39Å; S27-D31 PolarHBondContact O-N 3.29Å; S27-D31 VanDerWaalsContact O-N 3.08Å
28	K	98.1	Very high	97.8	Very high	49 Å²	49	25.8 Å²	25.8	21%	0.213	15%	0.15	C	C	.	.	H	α-helix	trans	-68.8	-38.2	177.1	-74.1	-177.8	-179	-170.5	0	112.3	I2 F6 R7 D8 N24 E25 A26 D31 A32	I2-K28 HydrophobicContact CG2-CB 3.91Å; I2-K28 HydrophobicContact CG2-CD 4.45Å; F6-K28 HydrophobicContact CB-CB 3.92Å; F6-K28 HydrophobicContact CB-CG 4.03Å; R7-K28 WeakPolarHBondContact O-CA 3.34Å; R7-K28 WeakPolarHBondContact O-CG 3.48Å; R7-K28 PolarHBondContact O-N 3.42Å; D8-K28 HydrophobicContact CB-CG 4.32Å; N24-K28 WeakPolarHBondContact O-CB 3.45Å; N24-K28 VanDerWaalsContact O-CG 3.25Å; N24-K28 WeakPolarHBondContact O-CG 3.35Å; N24-K28 PolarHBondContact O-N 3.24Å; N24-K28 VanDerWaalsContact O-N 3.12Å; E25-K28 PolarHBondContact O-N 2.66Å; A26-K28 PolarHBondContact O-N 3.17Å; K28-D31 PolarHBondContact O-N 3.42Å; K28-A32 WeakPolarHBondContact O-CB 3.48Å; K28-A32 PolarHBondContact O-N 3.08Å
29	L	98.3	Very high	97.7	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-65.9	-40.5	175.2	-71.6	165.8	0	0	0	111.6	I2 E25 A26 D31 A32 I33 C52 A55 I56 A59	I2-L29 HydrophobicContact CD1-CD1 4.07Å; I2-L29 HydrophobicContact CD1-CD2 3.52Å; I2-L29 HydrophobicContact CD1-CG 3.59Å; I2-L29 HydrophobicContact CG1-CD2 4.14Å; E25-L29 HydrophobicContact CG-CD1 4Å; E25-L29 WeakPolarHBondContact O-CG 3.44Å; E25-L29 PolarHBondContact O-N 3.38Å; A26-L29 PolarHBondContact O-N 2.79Å; L29-D31 VanDerWaalsContact C-N 3.33Å; L29-D31 PolarHBondContact O-N 3.1Å; L29-A32 WeakPolarHBondContact O-CB 3.42Å; L29-A32 PolarHBondContact O-N 3.05Å; L29-I33 VanDerWaalsContact O-CG1 3.28Å; L29-I33 WeakPolarHBondContact O-CG1 3.18Å; L29-I33 PolarHBondContact O-N 2.88Å; L29-C52 HydrophobicContact CD2-CB 4.41Å; L29-A55 HydrophobicContact CD1-CB 3.66Å; L29-A55 HydrophobicContact CD2-CB 3.94Å; L29-A55 HydrophobicContact CG-CB 4.46Å; L29-I56 HydrophobicContact CB-CB 3.92Å; L29-I56 HydrophobicContact CB-CD1 4.28Å; L29-I56 HydrophobicContact CB-CG1 4.13Å; L29-I56 HydrophobicContact CD1-CB 4.19Å; L29-A59 HydrophobicContact CD1-CB 4.15Å
30	Y	98.6	Very high	97.6	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-58.4	-46.4	173	173.9	-93.8	0	0	0	111.5	W12 L19 A26 S27 A32 I33 L34 F63 M65 I69 L142	W12-Y30 AromaticContact CE2-CD1 3.96Å; W12-Y30 HydrophobicContact CH2-CD1 4.1Å; W12-Y30 AromaticContact CH2-CE1 3.57Å; W12-Y30 HydrophobicContact CH2-CE1 3.57Å; W12-Y30 AromaticContact CZ2-CD1 3.5Å; W12-Y30 HydrophobicContact CZ2-CD1 3.5Å; W12-Y30 AromaticContact CZ2-CE1 3.49Å; W12-Y30 HydrophobicContact CZ2-CE1 3.49Å; W12-Y30 VanDerWaalsContact CZ2-CE1 3.49Å; W12-Y30 HydrophobicContact CZ3-CE1 4.35Å; L19-Y30 HydrophobicContact CD1-CD1 3.98Å; L19-Y30 HydrophobicContact CD1-CE1 4.48Å; L19-Y30 HydrophobicContact CD2-CD1 4.43Å; L19-Y30 HydrophobicContact CD2-CE1 4.21Å; A26-Y30 PolarHBondContact O-N 3.14Å; S27-Y30 PolarHBondContact O-N 3.39Å; Y30-A32 VanDerWaalsContact C-N 3.31Å; Y30-A32 PolarHBondContact O-N 3.4Å; Y30-I33 PolarHBondContact O-N 2.88Å; Y30-L34 HydrophobicContact CE1-CD2 4.37Å; Y30-L34 WeakPolarHBondContact O-CB 3.34Å; Y30-L34 PolarHBondContact O-N 2.86Å; Y30-F63 HydrophobicContact CD2-CE1 4.41Å; Y30-F63 HydrophobicContact CD2-CZ 4.5Å; Y30-F63 HydrophobicContact CG-CE1 4.33Å; Y30-F63 HydrophobicContact CG-CZ 4.43Å; Y30-M65 HydrophobicContact CD2-CB 4.18Å; Y30-M65 HydrophobicContact CE2-CB 3.84Å; Y30-M65 HydrophobicContact CE2-CE 4.04Å; Y30-M65 WeakPolarHBondContact CE2-O 3.4Å; Y30-M65 VanDerWaalsContact OH-CE 3.28Å; Y30-M65 WeakPolarHBondContact OH-CE 3.32Å; Y30-I69 HydrophobicContact CD2-CB 4.11Å; Y30-I69 HydrophobicContact CD2-CD1 4.15Å; Y30-I69 HydrophobicContact CD2-CG2 3.71Å; Y30-I69 HydrophobicContact CE2-CB 3.84Å; Y30-I69 HydrophobicContact CE2-CD1 3.91Å; Y30-I69 HydrophobicContact CE2-CG1 4.46Å; Y30-I69 HydrophobicContact CE2-CG2 3.98Å; Y30-L142 HydrophobicContact CE2-CD2 4.15Å; Y30-L142 VanDerWaalsContact OH-CD2 3.27Å; Y30-L142 WeakPolarHBondContact OH-CD2 3.08Å
31	D	98.4	Very high	97.6	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-35.8	176.7	-166.4	41.1	0	0	0	112.7	F6 R7 W12 S27 K28 L29 T35	F6-D31 WeakPolarHBondContact CA-OD2 3.25Å; F6-D31 HydrophobicContact CB-CB 4.25Å; F6-D31 HydrophobicContact CD1-CB 4.32Å; R7-D31 HydrophobicContact CB-CB 4.32Å; R7-D31 WeakPolarHBondContact CB-OD2 3.46Å; R7-D31 IonicContact CZ-OD1 3.96Å; R7-D31 PolarHBondContact N-OD2 2.99Å; R7-D31 IonicContact NE-OD1 3.26Å; R7-D31 PolarHBondContact NE-OD1 3.2Å; R7-D31 IonicContact NE-OD2 2.64Å; R7-D31 PolarHBondContact NE-OD2 3.22Å; R7-D31 IonicContact NH2-OD1 2.7Å; R7-D31 PolarHBondContact NH2-OD1 3.24Å; W12-D31 HydrophobicContact CZ2-CB 3.97Å; S27-D31 PolarHBondContact O-N 3.29Å; S27-D31 VanDerWaalsContact O-N 3.08Å; K28-D31 PolarHBondContact O-N 3.42Å; L29-D31 VanDerWaalsContact C-N 3.33Å; L29-D31 PolarHBondContact O-N 3.1Å; D31-T35 VanDerWaalsContact O-CB 3.23Å; D31-T35 WeakPolarHBondContact O-CB 3.3Å; D31-T35 PolarHBondContact O-N 3Å; D31-T35 PolarHBondContact O-OG1 3.2Å
32	A	98.1	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-42.1	175.2	0	0	0	0	0	112.7	F6 K28 L29 Y30 T35 Q36 L46	F6-A32 HydrophobicContact CD1-CB 4.04Å; F6-A32 HydrophobicContact CD2-CB 4.11Å; F6-A32 HydrophobicContact CE1-CB 3.82Å; F6-A32 HydrophobicContact CE2-CB 3.87Å; F6-A32 HydrophobicContact CG-CB 4.19Å; F6-A32 HydrophobicContact CZ-CB 3.71Å; K28-A32 WeakPolarHBondContact O-CB 3.48Å; K28-A32 PolarHBondContact O-N 3.08Å; L29-A32 WeakPolarHBondContact O-CB 3.42Å; L29-A32 PolarHBondContact O-N 3.05Å; Y30-A32 VanDerWaalsContact C-N 3.31Å; Y30-A32 PolarHBondContact O-N 3.4Å; A32-T35 PolarHBondContact O-N 3.43Å; A32-Q36 VanDerWaalsContact O-CG 3.32Å; A32-Q36 WeakPolarHBondContact O-CG 3.38Å; A32-Q36 PolarHBondContact O-N 2.98Å; A32-Q36 PolarHBondContact O-NE2 3.26Å; A32-Q36 VanDerWaalsContact O-NE2 3.17Å; A32-L46 HydrophobicContact CB-CD1 3.96Å
33	I	98.5	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-50.5	174.8	-65.6	162.4	0	0	0	109.7	L29 Y30 T35 Q36 Y37 I49 C52 I53 I56 I69 L73	L29-I33 VanDerWaalsContact O-CG1 3.28Å; L29-I33 WeakPolarHBondContact O-CG1 3.18Å; L29-I33 PolarHBondContact O-N 2.88Å; Y30-I33 PolarHBondContact O-N 2.88Å; I33-T35 VanDerWaalsContact C-N 3.3Å; I33-T35 PolarHBondContact O-N 3.48Å; I33-Q36 PolarHBondContact O-N 3.46Å; I33-Y37 WeakPolarHBondContact O-CB 3.33Å; I33-Y37 PolarHBondContact O-N 2.97Å; I33-I49 HydrophobicContact CG2-CG2 4.32Å; I33-C52 HydrophobicContact CD1-CB 3.98Å; I33-C52 HydrophobicContact CG1-CB 3.38Å; I33-I53 HydrophobicContact CD1-CG1 3.89Å; I33-I53 HydrophobicContact CG1-CG1 4.46Å; I33-I56 HydrophobicContact CD1-CD1 4.33Å; I33-I56 HydrophobicContact CD1-CG2 4.12Å; I33-I69 HydrophobicContact CB-CD1 3.99Å; I33-I69 HydrophobicContact CD1-CG2 4.22Å; I33-I69 HydrophobicContact CG2-CD1 3.55Å; I33-I69 HydrophobicContact CG2-CG1 3.75Å; I33-I69 HydrophobicContact CG2-CG2 4.32Å; I33-L73 HydrophobicContact CG2-CD1 3.43Å; I33-L73 VanDerWaalsContact CG2-CD1 3.43Å
34	L	98.5	Very high	97.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-58.7	-42.3	179	179.9	61.2	0	0	0	111.8	W12 Y30 Y37 V38 I69 M141 L142 L177	W12-L34 HydrophobicContact CH2-CD2 3.81Å; W12-L34 HydrophobicContact CZ2-CD2 4.34Å; Y30-L34 HydrophobicContact CE1-CD2 4.37Å; Y30-L34 WeakPolarHBondContact O-CB 3.34Å; Y30-L34 PolarHBondContact O-N 2.86Å; L34-Y37 PolarHBondContact O-N 2.89Å; L34-V38 HydrophobicContact CD1-CG2 4.19Å; L34-V38 WeakPolarHBondContact O-CB 3.24Å; L34-V38 VanDerWaalsContact O-CG2 3.27Å; L34-V38 WeakPolarHBondContact O-CG2 3.23Å; L34-V38 PolarHBondContact O-N 2.89Å; L34-I69 HydrophobicContact CB-CD1 3.93Å; L34-M141 HydrophobicContact CD1-CB 4.28Å; L34-M141 HydrophobicContact CD1-CG 3.96Å; L34-M141 HydrophobicContact CD2-CB 4.19Å; L34-M141 HydrophobicContact CG-CG 4.37Å; L34-L142 HydrophobicContact CD1-CB 4.01Å; L34-L142 HydrophobicContact CD1-CD1 4.04Å; L34-L177 HydrophobicContact CG-CD1 4.34Å
35	T	97.6	Very high	97	Very high	19 Å²	19	39.6 Å²	39.6	12%	0.117	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-49.4	177	-66	0	0	0	0	111.5	F6 D31 A32 I33 Y37 V38 K39 L177	F6-T35 HydrophobicContact CE1-CG2 4.34Å; D31-T35 VanDerWaalsContact O-CB 3.23Å; D31-T35 WeakPolarHBondContact O-CB 3.3Å; D31-T35 PolarHBondContact O-N 3Å; D31-T35 PolarHBondContact O-OG1 3.2Å; A32-T35 PolarHBondContact O-N 3.43Å; I33-T35 VanDerWaalsContact C-N 3.3Å; I33-T35 PolarHBondContact O-N 3.48Å; T35-Y37 VanDerWaalsContact C-N 3.32Å; T35-Y37 PolarHBondContact O-N 3.1Å; T35-V38 PolarHBondContact O-N 3.31Å; T35-K39 HydrophobicContact CG2-CD 3.82Å; T35-K39 HydrophobicContact CG2-CG 4.36Å; T35-K39 VanDerWaalsContact O-CB 3.27Å; T35-K39 WeakPolarHBondContact O-CB 3.32Å; T35-K39 WeakPolarHBondContact O-CG 3.23Å; T35-K39 PolarHBondContact O-N 2.86Å; T35-L177 HydrophobicContact CG2-CD2 4.18Å
36	Q	97.7	Very high	96.8	Very high	6 Å²	6	36 Å²	36	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-41.6	179.4	-72.7	174.2	91.8	0	0	111.8	A32 I33 K39 W40 R41 D43 I49 C52	A32-Q36 VanDerWaalsContact O-CG 3.32Å; A32-Q36 WeakPolarHBondContact O-CG 3.38Å; A32-Q36 PolarHBondContact O-N 2.98Å; A32-Q36 PolarHBondContact O-NE2 3.26Å; A32-Q36 VanDerWaalsContact O-NE2 3.17Å; I33-Q36 PolarHBondContact O-N 3.46Å; Q36-K39 PolarHBondContact O-N 3.35Å; Q36-W40 PolarHBondContact O-N 3.05Å; Q36-R41 WeakPolarHBondContact CA-O 3.39Å; Q36-R41 VanDerWaalsContact CB-O 3.3Å; Q36-R41 WeakPolarHBondContact CB-O 3.38Å; Q36-R41 WeakPolarHBondContact CG-O 3.37Å; Q36-R41 PolarHBondContact O-N 3.43Å; Q36-D43 HydrophobicContact CG-CB 4.22Å; Q36-I49 HydrophobicContact CB-CD1 4.09Å; Q36-I49 HydrophobicContact CB-CG1 3.68Å; Q36-C52 PolarHBondContact NE2-SG 3.42Å; Q36-C52 VanDerWaalsContact NE2-SG 3.4Å
37	Y	97.9	Very high	96.7	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-46.9	177	173.3	-137.1	0	0	0	112.7	I33 L34 T35 K39 W40 L73 K145 F146 D149	I33-Y37 WeakPolarHBondContact O-CB 3.33Å; I33-Y37 PolarHBondContact O-N 2.97Å; L34-Y37 PolarHBondContact O-N 2.89Å; T35-Y37 VanDerWaalsContact C-N 3.32Å; T35-Y37 PolarHBondContact O-N 3.1Å; Y37-K39 VanDerWaalsContact C-N 3.3Å; Y37-K39 PolarHBondContact O-N 3.2Å; Y37-W40 PolarHBondContact O-N 2.91Å; Y37-L73 HydrophobicContact CD1-CD2 3.66Å; Y37-L73 HydrophobicContact CD2-CD2 3.49Å; Y37-L73 VanDerWaalsContact CD2-CD2 3.49Å; Y37-L73 HydrophobicContact CE1-CD2 3.8Å; Y37-L73 HydrophobicContact CE2-CD2 3.68Å; Y37-L73 HydrophobicContact CG-CD2 3.48Å; Y37-L73 VanDerWaalsContact CG-CD2 3.48Å; Y37-K145 HydrophobicContact CD1-CG 3.95Å; Y37-K145 HydrophobicContact CE1-CB 3.93Å; Y37-K145 HydrophobicContact CE1-CG 3.26Å; Y37-K145 HydrophobicContact CE2-CG 4.34Å; Y37-F146 HydrophobicContact CD1-CE1 4.43Å; Y37-F146 AromaticContact CE1-CD1 3.72Å; Y37-F146 HydrophobicContact CE1-CD1 3.72Å; Y37-F146 AromaticContact CE1-CE1 3.54Å; Y37-F146 HydrophobicContact CE1-CE1 3.54Å; Y37-F146 AromaticContact CZ-CD1 3.98Å; Y37-F146 AromaticContact CZ-CE1 3.91Å; Y37-F146 WeakPolarHBondContact OH-CD1 3.49Å; Y37-D149 PolarHBondContact OH-OD2 3.34Å
38	V	97.4	Very high	96.6	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-34.1	178.6	170.7	0	0	0	0	111.8	L34 T35 W40 M141 L177 Y180	L34-V38 HydrophobicContact CD1-CG2 4.19Å; L34-V38 WeakPolarHBondContact O-CB 3.24Å; L34-V38 VanDerWaalsContact O-CG2 3.27Å; L34-V38 WeakPolarHBondContact O-CG2 3.23Å; L34-V38 PolarHBondContact O-N 2.89Å; T35-V38 PolarHBondContact O-N 3.31Å; V38-W40 VanDerWaalsContact C-N 3.27Å; V38-W40 PolarHBondContact O-N 2.88Å; V38-M141 HydrophobicContact CG1-CE 4.39Å; V38-M141 HydrophobicContact CG1-SD 4.33Å; V38-M141 HydrophobicContact CG2-CG 3.48Å; V38-M141 VanDerWaalsContact CG2-CG 3.48Å; V38-M141 HydrophobicContact CG2-SD 3.8Å; V38-L177 HydrophobicContact CB-CD1 4.14Å; V38-L177 HydrophobicContact CG1-CB 4.31Å; V38-L177 HydrophobicContact CG1-CD1 4.26Å; V38-L177 HydrophobicContact CG1-CD2 4.32Å; V38-L177 HydrophobicContact CG2-CD1 4.08Å; V38-Y180 HydrophobicContact CG1-CD1 4.34Å; V38-Y180 HydrophobicContact CG1-CD2 4.18Å; V38-Y180 HydrophobicContact CG1-CG 3.79Å
39	K	95.8	Very high	96.5	Very high	75 Å²	75	37.2 Å²	37.2	33%	0.326	20%	0.197	S	C	.	.	H	α-helix	trans	-77.5	-9.9	176.7	-71	-172.6	175.4	-168.8	0	113.9	T35 Q36 Y37 R41 Y180	T35-K39 HydrophobicContact CG2-CD 3.82Å; T35-K39 HydrophobicContact CG2-CG 4.36Å; T35-K39 VanDerWaalsContact O-CB 3.27Å; T35-K39 WeakPolarHBondContact O-CB 3.32Å; T35-K39 WeakPolarHBondContact O-CG 3.23Å; T35-K39 PolarHBondContact O-N 2.86Å; Q36-K39 PolarHBondContact O-N 3.35Å; Y37-K39 VanDerWaalsContact C-N 3.3Å; Y37-K39 PolarHBondContact O-N 3.2Å; K39-R41 HydrophobicContact CB-CB 4.24Å; K39-R41 PolarHBondContact O-N 3.46Å; K39-Y180 VanDerWaalsContact CE-OH 3.27Å; K39-Y180 WeakPolarHBondContact CE-OH 3Å; K39-Y180 HydrophobicContact CG-CE1 3.93Å; K39-Y180 HydrophobicContact CG-CE2 4.08Å; K39-Y180 WeakPolarHBondContact CG-OH 3.27Å
40	W	95.7	Very high	96.4	Very high	30 Å²	30	45 Å²	45	11%	0.114	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	35.4	-170.5	-62.4	93.6	0	0	0	112.8	Q36 Y37 V38 W214 S246 M248 L249	Q36-W40 PolarHBondContact O-N 3.05Å; Y37-W40 PolarHBondContact O-N 2.91Å; V38-W40 VanDerWaalsContact C-N 3.27Å; V38-W40 PolarHBondContact O-N 2.88Å; W40-W214 AromaticContact CE2-CE3 3.75Å; W40-W214 HydrophobicContact CH2-CZ3 4.43Å; W40-W214 AromaticContact CZ2-CE3 3.84Å; W40-W214 HydrophobicContact CZ2-CE3 3.84Å; W40-W214 HydrophobicContact CZ2-CH2 4.47Å; W40-W214 AromaticContact CZ2-CZ3 3.79Å; W40-W214 HydrophobicContact CZ2-CZ3 3.79Å; W40-W214 AromaticContact NE1-CD2 3.87Å; W40-W214 AromaticContact NE1-CE3 3.59Å; W40-S246 WeakPolarHBondContact CB-OG 3.39Å; W40-S246 CarbonylContact O-C 3.58Å; W40-S246 WeakPolarHBondContact O-CA 3.19Å; W40-S246 WeakPolarHBondContact O-CB 3.3Å; W40-S246 PolarHBondContact O-OG 3.42Å; W40-M248 HydrophobicContact CB-CB 4.25Å; W40-M248 HydrophobicContact CE3-CB 3.98Å; W40-M248 HydrophobicContact CE3-CE 4.45Å; W40-M248 WeakPolarHBondContact O-CB 3.3Å; W40-M248 PolarHBondContact O-N 3.33Å; W40-L249 HydrophobicContact CB-CB 3.9Å; W40-L249 HydrophobicContact CB-CD2 4.5Å; W40-L249 HydrophobicContact CD2-CB 4.48Å; W40-L249 HydrophobicContact CD2-CD1 4.44Å; W40-L249 HydrophobicContact CE3-CD1 4.47Å; W40-L249 HydrophobicContact CG-CB 4.24Å; W40-L249 HydrophobicContact CG-CD2 4.26Å
41	R	94.8	Very high	96.3	Very high	110 Å²	110	46.2 Å²	46.2	42%	0.415	25%	0.246	S	C	.	.			trans	-147.5	124.3	-171	-175.6	171.6	-177.3	-178.9	1.8	111.9	Q36 K39 G245 D247	Q36-R41 WeakPolarHBondContact CA-O 3.39Å; Q36-R41 VanDerWaalsContact CB-O 3.3Å; Q36-R41 WeakPolarHBondContact CB-O 3.38Å; Q36-R41 WeakPolarHBondContact CG-O 3.37Å; Q36-R41 PolarHBondContact O-N 3.43Å; K39-R41 HydrophobicContact CB-CB 4.24Å; K39-R41 PolarHBondContact O-N 3.46Å; R41-G245 PolarHBondContact NE-O 2.88Å; R41-D247 WeakPolarHBondContact CA-OD1 3.35Å
42	N	95.3	Very high	96.3	Very high	51 Å²	51	46 Å²	46	27%	0.273	25%	0.245	S	C	.	.			trans	-69.9	140.3	168.6	-76.2	-57.8	0	0	0	111.6	G48 I49 D247	N42-G48 WeakPolarHBondContact OD1-CA 3.32Å; N42-I49 PolarHBondContact OD1-N 3.19Å; N42-D247 WeakPolarHBondContact CB-OD2 3.33Å; N42-D247 PolarHBondContact N-OD1 3.38Å; N42-D247 PolarHBondContact ND2-OD2 3.39Å
43	D	94.8	Very high	96.3	Very high	59 Å²	59	47.7 Å²	47.7	32%	0.316	25%	0.254	S	S	.	.			trans	-98.5	102.5	167.9	-172.3	-24.8	0	0	0	108.8	Q36 T45 L46 G47 G48	Q36-D43 HydrophobicContact CG-CB 4.22Å; D43-T45 PolarHBondContact O-N 3.26Å; D43-T45 VanDerWaalsContact O-N 3.15Å; D43-T45 WeakPolarHBondContact OD1-CB 3.46Å; D43-T45 PolarHBondContact OD1-N 2.92Å; D43-T45 PolarHBondContact OD1-OG1 3.36Å; D43-L46 HydrophobicContact CB-CB 4.38Å; D43-L46 HydrophobicContact CB-CD1 4.07Å; D43-L46 HydrophobicContact CB-CG 4.23Å; D43-L46 PolarHBondContact O-N 2.95Å; D43-G47 PolarHBondContact O-N 3.46Å; D43-G48 PolarHBondContact O-N 3.14Å
44	E	93.1	Very high	96.3	Very high	180 Å²	180	51.1 Å²	51.1	84%	0.841	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-58	-28.1	-179.5	-64.7	-177.5	173.7	0	0	112.6	L46 G47	E44-L46 PolarHBondContact O-N 3.26Å; E44-G47 PolarHBondContact O-N 2.98Å; E44-G47 VanDerWaalsContact O-N 3.12Å
45	T	94	Very high	96.2	Very high	122 Å²	122	52.7 Å²	52.7	75%	0.748	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-70.2	-17.9	179	75.3	0	0	0	0	112.9	D43	D43-T45 PolarHBondContact O-N 3.26Å; D43-T45 VanDerWaalsContact O-N 3.15Å; D43-T45 WeakPolarHBondContact OD1-CB 3.46Å; D43-T45 PolarHBondContact OD1-N 2.92Å; D43-T45 PolarHBondContact OD1-OG1 3.36Å
46	L	94.6	Very high	96.2	Very high	33 Å²	33	51.9 Å²	51.9	17%	0.173	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-104	1	175.3	-57.7	177.5	0	0	0	112.6	F6 A32 D43 E44 G48	F6-L46 HydrophobicContact CE2-CD1 3.73Å; F6-L46 HydrophobicContact CZ-CD1 3.83Å; A32-L46 HydrophobicContact CB-CD1 3.96Å; D43-L46 HydrophobicContact CB-CB 4.38Å; D43-L46 HydrophobicContact CB-CD1 4.07Å; D43-L46 HydrophobicContact CB-CG 4.23Å; D43-L46 PolarHBondContact O-N 2.95Å; E44-L46 PolarHBondContact O-N 3.26Å; L46-G48 VanDerWaalsContact C-N 3.33Å
47	G	95.5	Very high	96.1	Very high	49 Å²	49	56 Å²	56	51%	0.505	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	23.2	-172.6	0	0	0	0	0	113.7	D43 E44 G51	D43-G47 PolarHBondContact O-N 3.46Å; E44-G47 PolarHBondContact O-N 2.98Å; E44-G47 VanDerWaalsContact O-N 3.12Å; G47-G51 WeakPolarHBondContact O-CA 3.27Å; G47-G51 PolarHBondContact O-N 3.39Å
48	G	95.9	Very high	96	Very high	7 Å²	7	61.2 Å²	61.2	7%	0.072	34%	0.338	C	S	.	.	H	α-helix	trans	68.5	-168.3	-177.4	0	0	0	0	0	113.6	N42 D43 L46 C52	N42-G48 WeakPolarHBondContact OD1-CA 3.32Å; D43-G48 PolarHBondContact O-N 3.14Å; L46-G48 VanDerWaalsContact C-N 3.33Å; G48-C52 PolarHBondContact O-N 2.94Å; G48-C52 VanDerWaalsContact O-N 3.15Å; G48-C52 PolarHBondContact O-SG 2.98Å
49	I	96.8	Very high	96	Very high	19 Å²	19	62.3 Å²	62.3	10%	0.097	35%	0.347	C	S	.	.	H	α-helix	trans	-61	-45.2	174.9	-71.7	173.5	0	0	0	110.6	I33 Q36 N42 G51 C52 I53 L73 M248	I33-I49 HydrophobicContact CG2-CG2 4.32Å; Q36-I49 HydrophobicContact CB-CD1 4.09Å; Q36-I49 HydrophobicContact CB-CG1 3.68Å; N42-I49 PolarHBondContact OD1-N 3.19Å; I49-G51 PolarHBondContact O-N 2.96Å; I49-C52 PolarHBondContact O-N 3.41Å; I49-I53 HydrophobicContact CG2-CD1 3.72Å; I49-I53 HydrophobicContact CG2-CG1 4.3Å; I49-I53 WeakPolarHBondContact O-CG1 3.48Å; I49-I53 PolarHBondContact O-N 2.9Å; I49-L73 HydrophobicContact CG2-CD1 4.01Å; I49-M248 HydrophobicContact CD1-CE 4.02Å; I49-M248 HydrophobicContact CD1-SD 3.77Å
50	E	95.5	Very high	96.2	Very high	168 Å²	168	60.4 Å²	60.4	79%	0.785	34%	0.341	S	S	*	.	H	α-helix	trans	-61.9	-45.4	-178.7	-66.6	-173.5	168.8	0	0	112.4	C52 I53 S54	E50-C52 VanDerWaalsContact C-N 3.3Å; E50-C52 PolarHBondContact O-N 3.11Å; E50-I53 PolarHBondContact O-N 3.23Å; E50-S54 PolarHBondContact O-N 2.72Å
51	G	97.4	Very high	96.2	Very high	28 Å²	28	62.6 Å²	62.6	29%	0.289	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-41.2	175.5	0	0	0	0	0	112	G47 I49 S54 A55	G47-G51 WeakPolarHBondContact O-CA 3.27Å; G47-G51 PolarHBondContact O-N 3.39Å; I49-G51 PolarHBondContact O-N 2.96Å; G51-S54 PolarHBondContact O-N 3.27Å; G51-A55 WeakPolarHBondContact O-CB 3.49Å; G51-A55 PolarHBondContact O-N 2.9Å
52	C	98	Very high	96.4	Very high	1 Å²	1	61 Å²	61	1%	0.007	36%	0.358	C	S	.	.	H	α-helix	trans	-66.7	-38.5	175.9	-65.9	0	0	0	0	112.7	L29 I33 Q36 G48 I49 E50 A55 I56	L29-C52 HydrophobicContact CD2-CB 4.41Å; I33-C52 HydrophobicContact CD1-CB 3.98Å; I33-C52 HydrophobicContact CG1-CB 3.38Å; Q36-C52 PolarHBondContact NE2-SG 3.42Å; Q36-C52 VanDerWaalsContact NE2-SG 3.4Å; G48-C52 PolarHBondContact O-N 2.94Å; G48-C52 VanDerWaalsContact O-N 3.15Å; G48-C52 PolarHBondContact O-SG 2.98Å; I49-C52 PolarHBondContact O-N 3.41Å; E50-C52 VanDerWaalsContact C-N 3.3Å; E50-C52 PolarHBondContact O-N 3.11Å; C52-A55 PolarHBondContact O-N 3.07Å; C52-I56 WeakPolarHBondContact O-CB 3.44Å; C52-I56 WeakPolarHBondContact O-CG2 3.32Å; C52-I56 PolarHBondContact O-N 3.47Å
53	I	97.8	Very high	96.5	Very high	35 Å²	35	58.6 Å²	58.6	18%	0.179	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-40.5	175.3	-73.7	173.6	0	0	0	111	I33 I49 E50 I56 Q57	I33-I53 HydrophobicContact CD1-CG1 3.89Å; I33-I53 HydrophobicContact CG1-CG1 4.46Å; I49-I53 HydrophobicContact CG2-CD1 3.72Å; I49-I53 HydrophobicContact CG2-CG1 4.3Å; I49-I53 WeakPolarHBondContact O-CG1 3.48Å; I49-I53 PolarHBondContact O-N 2.9Å; E50-I53 PolarHBondContact O-N 3.23Å; I53-I56 VanDerWaalsContact O-CG2 3.26Å; I53-I56 WeakPolarHBondContact O-CG2 3.31Å; I53-Q57 WeakPolarHBondContact O-CG 3.15Å; I53-Q57 PolarHBondContact O-N 3.16Å
54	S	97.3	Very high	96.7	Very high	72 Å²	72	55.8 Å²	55.8	50%	0.503	33%	0.33	S	S	.	.	H	α-helix	trans	-65.9	-42.5	174.7	-175.2	0	0	0	0	111.7	E50 G51 T58	E50-S54 PolarHBondContact O-N 2.72Å; G51-S54 PolarHBondContact O-N 3.27Å; S54-T58 PolarHBondContact O-N 3.32Å; S54-T58 PolarHBondContact O-OG1 3.43Å; S54-T58 VanDerWaalsContact O-OG1 3.13Å
55	A	97.7	Very high	97	Very high	35 Å²	35	47.2 Å²	47.2	29%	0.289	29%	0.29	S	S	.	.	H	α-helix	trans	-66.7	-40.3	179.8	0	0	0	0	0	112.4	L29 G51 C52 Q57 T58 A59	L29-A55 HydrophobicContact CD1-CB 3.66Å; L29-A55 HydrophobicContact CD2-CB 3.94Å; L29-A55 HydrophobicContact CG-CB 4.46Å; G51-A55 WeakPolarHBondContact O-CB 3.49Å; G51-A55 PolarHBondContact O-N 2.9Å; C52-A55 PolarHBondContact O-N 3.07Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; A55-Q57 PolarHBondContact O-N 3.23Å; A55-T58 WeakPolarHBondContact O-CB 3.19Å; A55-T58 PolarHBondContact O-N 2.88Å; A55-T58 VanDerWaalsContact O-N 3.13Å; A55-A59 WeakPolarHBondContact O-CB 3.37Å; A55-A59 PolarHBondContact O-N 3.12Å
56	I	97.3	Very high	97.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-37.3	-177.2	-165.7	172.1	0	0	0	111.5	A26 L29 I33 C52 I53 T58 A59 D60 F63	A26-I56 HydrophobicContact CB-CG1 4.19Å; A26-I56 WeakPolarHBondContact O-CD1 3.38Å; L29-I56 HydrophobicContact CB-CB 3.92Å; L29-I56 HydrophobicContact CB-CD1 4.28Å; L29-I56 HydrophobicContact CB-CG1 4.13Å; L29-I56 HydrophobicContact CD1-CB 4.19Å; I33-I56 HydrophobicContact CD1-CD1 4.33Å; I33-I56 HydrophobicContact CD1-CG2 4.12Å; C52-I56 WeakPolarHBondContact O-CB 3.44Å; C52-I56 WeakPolarHBondContact O-CG2 3.32Å; C52-I56 PolarHBondContact O-N 3.47Å; I53-I56 VanDerWaalsContact O-CG2 3.26Å; I53-I56 WeakPolarHBondContact O-CG2 3.31Å; I56-T58 VanDerWaalsContact C-N 3.26Å; I56-T58 PolarHBondContact O-N 3.31Å; I56-A59 PolarHBondContact O-N 2.98Å; I56-D60 PolarHBondContact O-N 3.34Å; I56-F63 HydrophobicContact CD1-CD1 3.85Å; I56-F63 HydrophobicContact CD1-CE1 3.88Å; I56-F63 HydrophobicContact CG1-CD1 4.08Å
57	Q	94.9	Very high	97.4	Very high	92 Å²	92	41.2 Å²	41.2	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-33.1	173.8	-70.3	176.6	-5.9	0	0	112.2	I53 A55 P61	I53-Q57 WeakPolarHBondContact O-CG 3.15Å; I53-Q57 PolarHBondContact O-N 3.16Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; A55-Q57 PolarHBondContact O-N 3.23Å; Q57-P61 VanDerWaalsContact O-CA 3.3Å; Q57-P61 WeakPolarHBondContact O-CA 3.49Å; Q57-P61 WeakPolarHBondContact O-CD 3.32Å; Q57-P61 VanDerWaalsContact O-CG 3.29Å; Q57-P61 WeakPolarHBondContact O-CG 3.19Å
58	T	97.2	Very high	97.6	Very high	115 Å²	115	38.9 Å²	38.9	71%	0.706	23%	0.23	S	C	*	.	H	α-helix	trans	-74.9	-40.7	175.7	-56.9	0	0	0	0	111.5	S54 A55 I56	S54-T58 PolarHBondContact O-N 3.32Å; S54-T58 PolarHBondContact O-OG1 3.43Å; S54-T58 VanDerWaalsContact O-OG1 3.13Å; A55-T58 WeakPolarHBondContact O-CB 3.19Å; A55-T58 PolarHBondContact O-N 2.88Å; A55-T58 VanDerWaalsContact O-N 3.13Å; I56-T58 VanDerWaalsContact C-N 3.26Å; I56-T58 PolarHBondContact O-N 3.31Å
59	A	97.7	Very high	97.7	Very high	25 Å²	25	38.5 Å²	38.5	21%	0.207	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-35.8	-176.7	0	0	0	0	0	113.3	E25 A26 L29 A55 I56	E25-A59 HydrophobicContact CB-CB 4.21Å; E25-A59 HydrophobicContact CG-CB 3.84Å; A26-A59 HydrophobicContact CB-CB 4.08Å; L29-A59 HydrophobicContact CD1-CB 4.15Å; A55-A59 WeakPolarHBondContact O-CB 3.37Å; A55-A59 PolarHBondContact O-N 3.12Å; I56-A59 PolarHBondContact O-N 2.98Å
60	D	98.1	Very high	97.8	Very high	36 Å²	36	38 Å²	38	19%	0.193	23%	0.225	C	C	.	.			trans	-155	95.2	171.6	-173.3	-13.5	0	0	0	110.8	T21 A26 I56 N62 F63	T21-D60 VanDerWaalsContact CB-OD2 3.28Å; T21-D60 WeakPolarHBondContact CB-OD2 3.33Å; T21-D60 PolarHBondContact OG1-OD2 2.86Å; A26-D60 HydrophobicContact CB-CB 3.78Å; I56-D60 PolarHBondContact O-N 3.34Å; D60-N62 PolarHBondContact O-N 3.32Å; D60-N62 VanDerWaalsContact O-N 3.08Å; D60-N62 PolarHBondContact OD1-N 2.95Å; D60-N62 VanDerWaalsContact OD1-N 3.13Å; D60-F63 HydrophobicContact CB-CB 3.78Å; D60-F63 WeakPolarHBondContact O-CB 3.23Å; D60-F63 PolarHBondContact O-N 3.36Å; D60-F63 VanDerWaalsContact O-N 3.17Å; D60-F63 PolarHBondContact OD1-N 2.84Å
61	P	97.6	Very high	97.9	Very high	76 Å²	76	30.3 Å²	30.3	49%	0.494	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.9	-176.8	-22.3	30.4	0	0	0	115.2	Q57 H67	Q57-P61 VanDerWaalsContact O-CA 3.3Å; Q57-P61 WeakPolarHBondContact O-CA 3.49Å; Q57-P61 WeakPolarHBondContact O-CD 3.32Å; Q57-P61 VanDerWaalsContact O-CG 3.29Å; Q57-P61 WeakPolarHBondContact O-CG 3.19Å; P61-H67 PolarHBondContact O-NE2 2.53Å
62	N	97.6	Very high	98	Very high	75 Å²	75	29.1 Å²	29.1	40%	0.401	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	6.2	-177.4	-68.2	-30	0	0	0	112.4	D60 V64 R94 L98 Q102	D60-N62 PolarHBondContact O-N 3.32Å; D60-N62 VanDerWaalsContact O-N 3.08Å; D60-N62 PolarHBondContact OD1-N 2.95Å; D60-N62 VanDerWaalsContact OD1-N 3.13Å; N62-V64 PolarHBondContact O-N 2.93Å; N62-R94 PolarHBondContact OD1-NH2 3.46Å; N62-L98 HydrophobicContact CB-CD2 4.05Å; N62-Q102 PolarHBondContact O-NE2 3.16Å
63	F	98.4	Very high	98	Very high	2 Å²	2	30 Å²	30	1%	0.009	18%	0.181	C	C	.	.			trans	-68	105.6	179.5	176.9	-151.3	0	0	0	111.8	L19 T21 A26 Y30 I56 D60 M65 G66 H67	L19-F63 HydrophobicContact CB-CE2 3.96Å; L19-F63 HydrophobicContact CB-CZ 4.02Å; L19-F63 HydrophobicContact CD1-CZ 3.91Å; L19-F63 HydrophobicContact CD2-CE2 4.4Å; L19-F63 HydrophobicContact CD2-CZ 4.09Å; L19-F63 HydrophobicContact CG-CZ 4.22Å; T21-F63 VanDerWaalsContact CB-CD2 3.5Å; T21-F63 HydrophobicContact CG2-CD1 4.12Å; T21-F63 HydrophobicContact CG2-CD2 3.79Å; T21-F63 HydrophobicContact CG2-CE1 3.95Å; T21-F63 HydrophobicContact CG2-CE2 3.65Å; T21-F63 HydrophobicContact CG2-CG 4.04Å; T21-F63 HydrophobicContact CG2-CZ 3.74Å; A26-F63 HydrophobicContact CB-CD1 3.96Å; A26-F63 HydrophobicContact CB-CE1 4.45Å; Y30-F63 HydrophobicContact CD2-CE1 4.41Å; Y30-F63 HydrophobicContact CD2-CZ 4.5Å; Y30-F63 HydrophobicContact CG-CE1 4.33Å; Y30-F63 HydrophobicContact CG-CZ 4.43Å; I56-F63 HydrophobicContact CD1-CD1 3.85Å; I56-F63 HydrophobicContact CD1-CE1 3.88Å; I56-F63 HydrophobicContact CG1-CD1 4.08Å; D60-F63 HydrophobicContact CB-CB 3.78Å; D60-F63 WeakPolarHBondContact O-CB 3.23Å; D60-F63 PolarHBondContact O-N 3.36Å; D60-F63 VanDerWaalsContact O-N 3.17Å; D60-F63 PolarHBondContact OD1-N 2.84Å; F63-M65 HydrophobicContact CD2-CB 4.42Å; F63-M65 HydrophobicContact CE1-CB 4.44Å; F63-M65 HydrophobicContact CE2-CB 3.6Å; F63-M65 HydrophobicContact CE2-CG 4.34Å; F63-M65 HydrophobicContact CZ-CB 3.6Å; F63-M65 PolarHBondContact O-N 3.35Å; F63-G66 WeakPolarHBondContact O-CA 3.33Å; F63-G66 PolarHBondContact O-N 3.02Å; F63-H67 PolarHBondContact O-CD2 3.35Å; F63-H67 PolarHBondContact O-N 2.86Å; F63-H67 VanDerWaalsContact O-N 3.12Å
64	V	98.6	Very high	98	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.1	-49.4	-173.4	174.7	0	0	0	0	112.2	N62 G66 H67 V68 L98 A99 I104	N62-V64 PolarHBondContact O-N 2.93Å; V64-G66 PolarHBondContact O-N 3.31Å; V64-H67 WeakPolarHBondContact O-CB 3.14Å; V64-H67 PolarHBondContact O-N 3.02Å; V64-H67 VanDerWaalsContact O-N 3.07Å; V64-V68 HydrophobicContact CG1-CG2 4.28Å; V64-V68 WeakPolarHBondContact O-CG2 3.48Å; V64-V68 PolarHBondContact O-N 2.76Å; V64-L98 HydrophobicContact CG2-CB 3.92Å; V64-A99 HydrophobicContact CG1-CB 4.02Å; V64-I104 HydrophobicContact CB-CD1 4.29Å; V64-I104 HydrophobicContact CG1-CD1 3.84Å; V64-I104 HydrophobicContact CG2-CD1 4.14Å; V64-I104 HydrophobicContact CG2-CG2 4.1Å
65	M	98.8	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.4	-23.6	180	-69.3	-59.6	-62.1	0	0	113.5	L19 Y30 F63 V68 I69 E108 H111 L142	L19-M65 HydrophobicContact CD2-CB 4.07Å; L19-M65 HydrophobicContact CD2-CG 3.95Å; Y30-M65 HydrophobicContact CD2-CB 4.18Å; Y30-M65 HydrophobicContact CE2-CB 3.84Å; Y30-M65 HydrophobicContact CE2-CE 4.04Å; Y30-M65 WeakPolarHBondContact CE2-O 3.4Å; Y30-M65 VanDerWaalsContact OH-CE 3.28Å; Y30-M65 WeakPolarHBondContact OH-CE 3.32Å; F63-M65 HydrophobicContact CD2-CB 4.42Å; F63-M65 HydrophobicContact CE1-CB 4.44Å; F63-M65 HydrophobicContact CE2-CB 3.6Å; F63-M65 HydrophobicContact CE2-CG 4.34Å; F63-M65 HydrophobicContact CZ-CB 3.6Å; F63-M65 PolarHBondContact O-N 3.35Å; M65-V68 HydrophobicContact CE-CB 4.37Å; M65-V68 HydrophobicContact CE-CG1 4.02Å; M65-V68 HydrophobicContact SD-CB 4.17Å; M65-V68 HydrophobicContact SD-CG1 4.26Å; M65-V68 HydrophobicContact SD-CG2 4.07Å; M65-I69 WeakPolarHBondContact O-CG2 3.31Å; M65-I69 PolarHBondContact O-N 2.84Å; M65-E108 HydrophobicContact CG-CB 4.25Å; M65-E108 HydrophobicContact CG-CG 3.55Å; M65-E108 WeakPolarHBondContact CG-OE1 3.45Å; M65-E108 HydrophobicContact SD-CB 4.04Å; M65-E108 HydrophobicContact SD-CG 3.8Å; M65-H111 HydrophobicContact CE-CB 4.14Å; M65-H111 VanDerWaalsContact CE-CD2 3.49Å; M65-H111 WeakPolarHBondContact CE-CD2 3.49Å; M65-H111 HydrophobicContact SD-CB 3.86Å; M65-L142 HydrophobicContact CE-CD2 3.78Å
66	G	98.7	Very high	98.1	Very high	4 Å²	4	26.3 Å²	26.3	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-41.6	169.4	0	0	0	0	0	112.1	F63 V64 I69 S70	F63-G66 WeakPolarHBondContact O-CA 3.33Å; F63-G66 PolarHBondContact O-N 3.02Å; V64-G66 PolarHBondContact O-N 3.31Å; G66-I69 WeakPolarHBondContact O-CG2 3.33Å; G66-S70 VanDerWaalsContact O-CB 3.31Å; G66-S70 WeakPolarHBondContact O-CB 3.48Å; G66-S70 PolarHBondContact O-N 3.37Å; G66-S70 PolarHBondContact O-OG 3.08Å
67	H	98.8	Very high	98.1	Very high	24 Å²	24	28.4 Å²	28.4	11%	0.111	17%	0.167	C	C	.	.	H	α-helix	trans	-67.3	-45	171.9	-75.5	-88.4	0	0	0	111.9	P61 F63 V64 I69 S70 T71 T95 L98	P61-H67 PolarHBondContact O-NE2 2.53Å; F63-H67 PolarHBondContact O-CD2 3.35Å; F63-H67 PolarHBondContact O-N 2.86Å; F63-H67 VanDerWaalsContact O-N 3.12Å; V64-H67 WeakPolarHBondContact O-CB 3.14Å; V64-H67 PolarHBondContact O-N 3.02Å; V64-H67 VanDerWaalsContact O-N 3.07Å; H67-I69 PolarHBondContact O-N 2.71Å; H67-S70 PolarHBondContact O-N 3.17Å; H67-T71 WeakPolarHBondContact O-CB 3.47Å; H67-T71 PolarHBondContact O-N 2.98Å; H67-T71 PolarHBondContact O-OG1 3.33Å; H67-T95 HydrophobicContact CB-CG2 4.23Å; H67-L98 WeakPolarHBondContact CD2-CD1 3.25Å; H67-L98 WeakPolarHBondContact NE2-CD1 3.42Å
68	V	98.9	Very high	98.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-53.9	-52.1	176.5	167.2	0	0	0	0	111.6	V64 M65 G72 T95 H111 A112 V115 L142	V64-V68 HydrophobicContact CG1-CG2 4.28Å; V64-V68 WeakPolarHBondContact O-CG2 3.48Å; V64-V68 PolarHBondContact O-N 2.76Å; M65-V68 HydrophobicContact CE-CB 4.37Å; M65-V68 HydrophobicContact CE-CG1 4.02Å; M65-V68 HydrophobicContact SD-CB 4.17Å; M65-V68 HydrophobicContact SD-CG1 4.26Å; M65-V68 HydrophobicContact SD-CG2 4.07Å; V68-G72 VanDerWaalsContact O-CA 3.3Å; V68-G72 WeakPolarHBondContact O-CA 3.35Å; V68-G72 PolarHBondContact O-N 3.39Å; V68-T95 HydrophobicContact CG2-CG2 3.88Å; V68-H111 HydrophobicContact CG1-CB 3.81Å; V68-H111 HydrophobicContact CG2-CB 4.2Å; V68-A112 HydrophobicContact CG2-CB 4.2Å; V68-V115 HydrophobicContact CG1-CG2 4.03Å; V68-L142 HydrophobicContact CG1-CD2 4.07Å
69	I	98.8	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.7	-37.8	-176.7	-163.2	164.8	0	0	0	111.5	Y30 I33 L34 M65 G66 H67 L73 L142	Y30-I69 HydrophobicContact CD2-CB 4.11Å; Y30-I69 HydrophobicContact CD2-CD1 4.15Å; Y30-I69 HydrophobicContact CD2-CG2 3.71Å; Y30-I69 HydrophobicContact CE2-CB 3.84Å; Y30-I69 HydrophobicContact CE2-CD1 3.91Å; Y30-I69 HydrophobicContact CE2-CG1 4.46Å; Y30-I69 HydrophobicContact CE2-CG2 3.98Å; I33-I69 HydrophobicContact CB-CD1 3.99Å; I33-I69 HydrophobicContact CD1-CG2 4.22Å; I33-I69 HydrophobicContact CG2-CD1 3.55Å; I33-I69 HydrophobicContact CG2-CG1 3.75Å; I33-I69 HydrophobicContact CG2-CG2 4.32Å; L34-I69 HydrophobicContact CB-CD1 3.93Å; M65-I69 WeakPolarHBondContact O-CG2 3.31Å; M65-I69 PolarHBondContact O-N 2.84Å; G66-I69 WeakPolarHBondContact O-CG2 3.33Å; H67-I69 PolarHBondContact O-N 2.71Å; I69-L73 HydrophobicContact CG1-CD1 3.94Å; I69-L73 HydrophobicContact CG1-CG 4.28Å; I69-L73 VanDerWaalsContact O-CB 3.3Å; I69-L73 WeakPolarHBondContact O-CB 3.27Å; I69-L73 WeakPolarHBondContact O-CD1 3.38Å; I69-L73 WeakPolarHBondContact O-CG 3.37Å; I69-L73 PolarHBondContact O-N 3.13Å; I69-L142 HydrophobicContact CB-CD2 4.2Å; I69-L142 HydrophobicContact CD1-CD1 4.03Å; I69-L142 HydrophobicContact CD1-CD2 4.44Å; I69-L142 HydrophobicContact CG1-CD1 3.96Å; I69-L142 HydrophobicContact CG1-CD2 4.3Å
70	S	98.6	Very high	97.8	Very high	9 Å²	9	21.1 Å²	21.1	6%	0.063	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-52.8	-179.6	-55.3	0	0	0	0	111.4	G66 H67 E74	G66-S70 VanDerWaalsContact O-CB 3.31Å; G66-S70 WeakPolarHBondContact O-CB 3.48Å; G66-S70 PolarHBondContact O-N 3.37Å; G66-S70 PolarHBondContact O-OG 3.08Å; H67-S70 PolarHBondContact O-N 3.17Å; S70-E74 PolarHBondContact O-N 2.8Å
71	T	98.7	Very high	97.6	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-68.9	-39.5	178.7	-59.5	0	0	0	0	111.6	H67 E74 L75 L88 A91 V92 T95 V115	H67-T71 WeakPolarHBondContact O-CB 3.47Å; H67-T71 PolarHBondContact O-N 2.98Å; H67-T71 PolarHBondContact O-OG1 3.33Å; T71-E74 PolarHBondContact O-N 2.91Å; T71-L75 HydrophobicContact CG2-CD1 4.03Å; T71-L75 WeakPolarHBondContact O-CG 3.44Å; T71-L75 PolarHBondContact O-N 3.3Å; T71-L88 HydrophobicContact CG2-CD1 4.14Å; T71-A91 HydrophobicContact CG2-CB 4.32Å; T71-V92 HydrophobicContact CG2-CB 4.49Å; T71-V92 HydrophobicContact CG2-CG2 3.64Å; T71-T95 PolarHBondContact OG1-OG1 3.42Å; T71-V115 HydrophobicContact CG2-CG1 3.96Å
72	G	98.6	Very high	97.5	Very high	2 Å²	2	17.8 Å²	17.8	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-43.4	178.2	0	0	0	0	0	112.8	V68 E74 L75 I76	V68-G72 VanDerWaalsContact O-CA 3.3Å; V68-G72 WeakPolarHBondContact O-CA 3.35Å; V68-G72 PolarHBondContact O-N 3.39Å; G72-E74 PolarHBondContact O-N 3.14Å; G72-L75 PolarHBondContact O-N 2.88Å; G72-I76 WeakPolarHBondContact O-CB 3.34Å; G72-I76 VanDerWaalsContact O-CG1 3.25Å; G72-I76 WeakPolarHBondContact O-CG1 3.33Å; G72-I76 PolarHBondContact O-N 3.14Å
73	L	98.4	Very high	97.4	Very high	20 Å²	20	19.6 Å²	19.6	11%	0.105	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-40.7	176.8	-76.2	171.8	0	0	0	112.3	I33 Y37 I49 I69 L75 I76 A77 F146	I33-L73 HydrophobicContact CG2-CD1 3.43Å; I33-L73 VanDerWaalsContact CG2-CD1 3.43Å; Y37-L73 HydrophobicContact CD1-CD2 3.66Å; Y37-L73 HydrophobicContact CD2-CD2 3.49Å; Y37-L73 VanDerWaalsContact CD2-CD2 3.49Å; Y37-L73 HydrophobicContact CE1-CD2 3.8Å; Y37-L73 HydrophobicContact CE2-CD2 3.68Å; Y37-L73 HydrophobicContact CG-CD2 3.48Å; Y37-L73 VanDerWaalsContact CG-CD2 3.48Å; I49-L73 HydrophobicContact CG2-CD1 4.01Å; I69-L73 HydrophobicContact CG1-CD1 3.94Å; I69-L73 HydrophobicContact CG1-CG 4.28Å; I69-L73 VanDerWaalsContact O-CB 3.3Å; I69-L73 WeakPolarHBondContact O-CB 3.27Å; I69-L73 WeakPolarHBondContact O-CD1 3.38Å; I69-L73 WeakPolarHBondContact O-CG 3.37Å; I69-L73 PolarHBondContact O-N 3.13Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.45Å; L73-I76 PolarHBondContact O-N 2.98Å; L73-A77 WeakPolarHBondContact O-CB 3.42Å; L73-A77 PolarHBondContact O-N 2.74Å; L73-F146 HydrophobicContact CD2-CE1 4.05Å; L73-F146 HydrophobicContact CG-CE1 4.39Å; L73-F146 HydrophobicContact CG-CZ 4.38Å
74	E	98	Very high	97.3	Very high	49 Å²	49	23.7 Å²	23.7	23%	0.229	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-40.4	177.5	-161.9	-176.7	135.5	0	0	111.8	S70 T71 G72 R87 L88	S70-E74 PolarHBondContact O-N 2.8Å; T71-E74 PolarHBondContact O-N 2.91Å; G72-E74 PolarHBondContact O-N 3.14Å; E74-R87 VanDerWaalsContact CD-NH2 3.33Å; E74-R87 IonicContact OE1-CZ 3Å; E74-R87 IonicContact OE1-NH1 2.86Å; E74-R87 PolarHBondContact OE1-NH1 3.35Å; E74-R87 IonicContact OE1-NH2 2.67Å; E74-R87 PolarHBondContact OE1-NH2 3.22Å; E74-R87 IonicContact OE2-CZ 2.93Å; E74-R87 IonicContact OE2-NH1 3.86Å; E74-R87 PolarHBondContact OE2-NH1 3.27Å; E74-R87 IonicContact OE2-NH2 3.34Å; E74-R87 PolarHBondContact OE2-NH2 3.16Å; E74-L88 HydrophobicContact CB-CD1 4.24Å; E74-L88 HydrophobicContact CG-CD1 4.23Å; E74-L88 HydrophobicContact CG-CD2 4.42Å; E74-L88 WeakPolarHBondContact OE1-CD1 3.32Å
75	L	98.4	Very high	97.2	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.047	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-47	174.4	-71.2	167.3	0	0	0	112.3	T71 G72 L73 A77 T78 L88 V92 V115 F118	T71-L75 HydrophobicContact CG2-CD1 4.03Å; T71-L75 WeakPolarHBondContact O-CG 3.44Å; T71-L75 PolarHBondContact O-N 3.3Å; G72-L75 PolarHBondContact O-N 2.88Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.45Å; L75-A77 PolarHBondContact O-N 2.72Å; L75-T78 PolarHBondContact O-N 2.73Å; L75-T78 VanDerWaalsContact O-N 3.09Å; L75-L88 HydrophobicContact CD2-CD1 4.23Å; L75-L88 HydrophobicContact CD2-CD2 3.95Å; L75-L88 HydrophobicContact CD2-CG 4.24Å; L75-L88 HydrophobicContact CG-CD1 4.22Å; L75-V92 HydrophobicContact CD1-CG2 4.18Å; L75-V115 HydrophobicContact CD1-CG1 3.81Å; L75-F118 HydrophobicContact CB-CD1 3.82Å; L75-F118 HydrophobicContact CB-CE1 4Å
76	I	97.7	Very high	97.2	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-28.4	-180	-72.3	-74.3	0	0	0	111.3	G72 L73 T78 F118 F146 D149 Y153	G72-I76 WeakPolarHBondContact O-CB 3.34Å; G72-I76 VanDerWaalsContact O-CG1 3.25Å; G72-I76 WeakPolarHBondContact O-CG1 3.33Å; G72-I76 PolarHBondContact O-N 3.14Å; L73-I76 PolarHBondContact O-N 2.98Å; I76-T78 PolarHBondContact O-N 2.64Å; I76-F118 HydrophobicContact CD1-CD2 4.35Å; I76-F118 HydrophobicContact CD1-CE1 4.31Å; I76-F118 HydrophobicContact CD1-CE2 3.73Å; I76-F118 HydrophobicContact CD1-CZ 3.71Å; I76-F146 HydrophobicContact CD1-CD1 4.47Å; I76-F146 HydrophobicContact CG1-CD1 3.93Å; I76-F146 HydrophobicContact CG1-CE1 4.07Å; I76-F146 HydrophobicContact CG1-CG 4.37Å; I76-D149 HydrophobicContact CD1-CB 4.3Å; I76-D149 HydrophobicContact CG2-CB 4.01Å; I76-Y153 HydrophobicContact CD1-CE2 4.31Å; I76-Y153 HydrophobicContact CG2-CE2 4.44Å; I76-Y153 PolarHBondContact O-OH 2.89Å
77	A	96.8	Very high	97.2	Very high	46 Å²	46	37.8 Å²	37.8	38%	0.38	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23	174.9	0	0	0	0	0	113	L73 L75 T79 M288	L73-A77 WeakPolarHBondContact O-CB 3.42Å; L73-A77 PolarHBondContact O-N 2.74Å; L75-A77 PolarHBondContact O-N 2.72Å; A77-T79 PolarHBondContact O-N 3.32Å; A77-M288 WeakPolarHBondContact O-CB 3.42Å
78	T	96.8	Very high	97.1	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.031	19%	0.188	C	C	.	.			trans	58.7	8.6	-178.2	70.1	0	0	0	0	115.7	L75 I76 S80 Y153 M288 V327 T328 N331	L75-T78 PolarHBondContact O-N 2.73Å; L75-T78 VanDerWaalsContact O-N 3.09Å; I76-T78 PolarHBondContact O-N 2.64Å; T78-S80 VanDerWaalsContact C-N 3.27Å; T78-S80 PolarHBondContact O-N 2.88Å; T78-Y153 HydrophobicContact CG2-CD2 4.4Å; T78-Y153 HydrophobicContact CG2-CE1 4.45Å; T78-Y153 HydrophobicContact CG2-CE2 3.92Å; T78-M288 WeakPolarHBondContact OG1-CG 3.44Å; T78-V327 HydrophobicContact CG2-CG1 3.97Å; T78-T328 HydrophobicContact CG2-CG2 4.11Å; T78-N331 PolarHBondContact OG1-ND2 3.46Å; T78-N331 VanDerWaalsContact OG1-ND2 3.12Å
79	T	94.2	Very high	97.1	Very high	38 Å²	38	37.1 Å²	37.1	23%	0.233	19%	0.192	C	C	.	.	S	Bend	trans	-74.4	-16.6	176.3	-53.4	0	0	0	0	112.9	A77 M288 H322	A77-T79 PolarHBondContact O-N 3.32Å; T79-M288 HydrophobicContact CG2-CE 4.41Å; T79-H322 PolarHBondContact O-CE1 3.43Å
80	S	93	Very high	97.1	Very high	37 Å²	37	39.9 Å²	39.9	26%	0.259	21%	0.211	S	C	.	.			trans	-147	165.7	-180	-62.4	0	0	0	0	110.4	T78	T78-S80 VanDerWaalsContact C-N 3.27Å; T78-S80 PolarHBondContact O-N 2.88Å
81	S	93.4	Very high	97.1	Very high	17 Å²	17	40.6 Å²	40.6	12%	0.119	22%	0.218	C	C	.	.			trans	-137.4	145.5	179.3	78.8	0	0	0	0	111.5	R83 L84 D85	S81-R83 PolarHBondContact O-N 3.14Å; S81-R83 VanDerWaalsContact O-N 3.07Å; S81-R83 PolarHBondContact OG-N 3.38Å; S81-L84 PolarHBondContact O-N 2.72Å; S81-L84 VanDerWaalsContact O-N 3.12Å; S81-L84 PolarHBondContact OG-N 3.09Å; S81-D85 PolarHBondContact O-N 3.29Å
82	A	95.6	Very high	97.1	Very high	25 Å²	25	40.7 Å²	40.7	21%	0.207	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.9	173	0	0	0	0	0	113.1	A89	A82-A89 HydrophobicContact CB-CB 4.16Å; A82-A89 WeakPolarHBondContact O-CB 3.34Å
83	R	95.4	Very high	97.1	Very high	112 Å²	112	45.8 Å²	45.8	42%	0.423	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-33.8	174.8	-177.9	178	57.9	78.2	6.4	112.3	S81 D324 D325	S81-R83 PolarHBondContact O-N 3.14Å; S81-R83 VanDerWaalsContact O-N 3.07Å; S81-R83 PolarHBondContact OG-N 3.38Å; R83-D324 PolarHBondContact NH2-O 3.22Å; R83-D325 VanDerWaalsContact NH2-C 3.28Å; R83-D325 PolarHBondContact NH2-O 2.92Å
84	L	96.3	Very high	97.1	Very high	88 Å²	88	49.3 Å²	49.3	46%	0.461	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-25.1	-174.7	-65.5	-176.5	0	0	0	113.6	S81 D324	S81-L84 PolarHBondContact O-N 2.72Å; S81-L84 VanDerWaalsContact O-N 3.12Å; S81-L84 PolarHBondContact OG-N 3.09Å; L84-D324 HydrophobicContact CD1-CB 3.99Å; L84-D324 WeakPolarHBondContact CD1-O 3.09Å
85	D	97.8	Very high	97.2	Very high	40 Å²	40	47 Å²	47	21%	0.214	24%	0.238	C	C	.	.			trans	-104.7	104.5	177.3	-174	-12.3	0	0	0	110.5	S81 R87 L88 A89	S81-D85 PolarHBondContact O-N 3.29Å; D85-R87 VanDerWaalsContact C-N 3.27Å; D85-R87 PolarHBondContact O-N 3.36Å; D85-R87 WeakPolarHBondContact OD1-CA 3.38Å; D85-R87 WeakPolarHBondContact OD1-CB 3.47Å; D85-R87 PolarHBondContact OD1-N 3.25Å; D85-R87 IonicContact OD2-CZ 3.8Å; D85-R87 IonicContact OD2-NE 3.1Å; D85-R87 IonicContact OD2-NH2 3.55Å; D85-R87 PolarHBondContact OD2-NH2 2.84Å; D85-L88 HydrophobicContact CB-CB 3.97Å; D85-L88 PolarHBondContact O-N 3.18Å; D85-L88 PolarHBondContact OD1-N 3.25Å; D85-A89 PolarHBondContact O-N 3.02Å
86	E	98	Very high	97.2	Very high	118 Å²	118	48 Å²	48	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-65.5	-27.9	177.4	-176.8	54.9	-142.2	0	0	112.7	S90 R93	E86-S90 VanDerWaalsContact O-CB 3.23Å; E86-S90 WeakPolarHBondContact O-CB 3.47Å; E86-S90 PolarHBondContact O-N 3.36Å; E86-R93 IonicContact OE1-CZ 3.3Å; E86-R93 IonicContact OE1-NH1 2.82Å; E86-R93 PolarHBondContact OE1-NH1 2.78Å; E86-R93 VanDerWaalsContact OE1-NH1 3.1Å; E86-R93 IonicContact OE1-NH2 3.45Å; E86-R93 PolarHBondContact OE1-NH2 3.37Å
87	R	98.1	Very high	97.2	Very high	142 Å²	142	52.7 Å²	52.7	54%	0.536	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-45.7	174.4	179.3	-166.6	58.1	76	13.7	109.5	E74 D85 S90 A91	E74-R87 VanDerWaalsContact CD-NH2 3.33Å; E74-R87 IonicContact OE1-CZ 3Å; E74-R87 IonicContact OE1-NH1 2.86Å; E74-R87 PolarHBondContact OE1-NH1 3.35Å; E74-R87 IonicContact OE1-NH2 2.67Å; E74-R87 PolarHBondContact OE1-NH2 3.22Å; E74-R87 IonicContact OE2-CZ 2.93Å; E74-R87 IonicContact OE2-NH1 3.86Å; E74-R87 PolarHBondContact OE2-NH1 3.27Å; E74-R87 IonicContact OE2-NH2 3.34Å; E74-R87 PolarHBondContact OE2-NH2 3.16Å; D85-R87 VanDerWaalsContact C-N 3.27Å; D85-R87 PolarHBondContact O-N 3.36Å; D85-R87 WeakPolarHBondContact OD1-CA 3.38Å; D85-R87 WeakPolarHBondContact OD1-CB 3.47Å; D85-R87 PolarHBondContact OD1-N 3.25Å; D85-R87 IonicContact OD2-CZ 3.8Å; D85-R87 IonicContact OD2-NE 3.1Å; D85-R87 IonicContact OD2-NH2 3.55Å; D85-R87 PolarHBondContact OD2-NH2 2.84Å; R87-S90 PolarHBondContact O-N 2.93Å; R87-A91 PolarHBondContact O-N 3.1Å
88	L	98.4	Very high	97.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-43.6	176.2	-178.8	50.5	0	0	0	111.4	T71 E74 L75 D85 S90 A91 V92	T71-L88 HydrophobicContact CG2-CD1 4.14Å; E74-L88 HydrophobicContact CB-CD1 4.24Å; E74-L88 HydrophobicContact CG-CD1 4.23Å; E74-L88 HydrophobicContact CG-CD2 4.42Å; E74-L88 WeakPolarHBondContact OE1-CD1 3.32Å; L75-L88 HydrophobicContact CD2-CD1 4.23Å; L75-L88 HydrophobicContact CD2-CD2 3.95Å; L75-L88 HydrophobicContact CD2-CG 4.24Å; L75-L88 HydrophobicContact CG-CD1 4.22Å; D85-L88 HydrophobicContact CB-CB 3.97Å; D85-L88 PolarHBondContact O-N 3.18Å; D85-L88 PolarHBondContact OD1-N 3.25Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.29Å; L88-A91 WeakPolarHBondContact O-CB 3.4Å; L88-A91 PolarHBondContact O-N 3.07Å; L88-A91 VanDerWaalsContact O-N 3.14Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.45Å
89	A	98.6	Very high	97.3	Very high	11 Å²	11	50.7 Å²	50.7	9%	0.091	25%	0.25	C	C	.	.	H	α-helix	trans	-57.5	-42.2	174.3	0	0	0	0	0	112	A82 D85 V92 R93	A82-A89 HydrophobicContact CB-CB 4.16Å; A82-A89 WeakPolarHBondContact O-CB 3.34Å; D85-A89 PolarHBondContact O-N 3.02Å; A89-V92 PolarHBondContact O-N 2.84Å; A89-R93 WeakPolarHBondContact O-CG 3.31Å; A89-R93 PolarHBondContact O-N 3.08Å
90	S	98.6	Very high	97.5	Very high	57 Å²	57	53.7 Å²	53.7	40%	0.399	27%	0.272	S	S	.	.	H	α-helix	trans	-65.6	-39.9	175.4	-168.1	0	0	0	0	112.6	E86 R87 L88 V92 R93 R94	E86-S90 VanDerWaalsContact O-CB 3.23Å; E86-S90 WeakPolarHBondContact O-CB 3.47Å; E86-S90 PolarHBondContact O-N 3.36Å; R87-S90 PolarHBondContact O-N 2.93Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.29Å; S90-V92 VanDerWaalsContact C-N 3.34Å; S90-V92 PolarHBondContact O-N 3.36Å; S90-R93 PolarHBondContact O-N 2.91Å; S90-R94 WeakPolarHBondContact O-CB 3.41Å; S90-R94 PolarHBondContact O-N 2.97Å
91	A	98.6	Very high	97.7	Very high	24 Å²	24	56.3 Å²	56.3	20%	0.198	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-40.1	176.1	0	0	0	0	0	112	T71 R87 L88 R94 T95	T71-A91 HydrophobicContact CG2-CB 4.32Å; R87-A91 PolarHBondContact O-N 3.1Å; L88-A91 WeakPolarHBondContact O-CB 3.4Å; L88-A91 PolarHBondContact O-N 3.07Å; L88-A91 VanDerWaalsContact O-N 3.14Å; A91-R94 PolarHBondContact O-N 3.05Å; A91-T95 WeakPolarHBondContact O-CB 3.48Å; A91-T95 PolarHBondContact O-N 3.02Å; A91-T95 PolarHBondContact O-OG1 3.15Å
92	V	98.8	Very high	97.8	Very high	8 Å²	8	58.3 Å²	58.3	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-52.3	172.3	172.8	0	0	0	0	110.7	T71 L75 L88 A89 S90 R94 T95 V96 S119	T71-V92 HydrophobicContact CG2-CB 4.49Å; T71-V92 HydrophobicContact CG2-CG2 3.64Å; L75-V92 HydrophobicContact CD1-CG2 4.18Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.45Å; A89-V92 PolarHBondContact O-N 2.84Å; S90-V92 VanDerWaalsContact C-N 3.34Å; S90-V92 PolarHBondContact O-N 3.36Å; V92-R94 VanDerWaalsContact C-N 3.29Å; V92-R94 PolarHBondContact O-N 3.44Å; V92-T95 WeakPolarHBondContact O-CB 3.45Å; V92-T95 PolarHBondContact O-N 3.34Å; V92-T95 VanDerWaalsContact O-N 3.11Å; V92-V96 WeakPolarHBondContact O-CG2 3.42Å; V92-V96 PolarHBondContact O-N 3.36Å; V92-S119 WeakPolarHBondContact CG1-OG 3.46Å
93	R	98.8	Very high	97.8	Very high	110 Å²	110	65 Å²	65	42%	0.415	33%	0.33	S	S	.	.	H	α-helix	trans	-57	-44.6	178.9	-69.9	-173.8	-55.4	-102.2	2.2	111.4	E86 A89 S90 T95 V96 E97	E86-R93 IonicContact OE1-CZ 3.3Å; E86-R93 IonicContact OE1-NH1 2.82Å; E86-R93 PolarHBondContact OE1-NH1 2.78Å; E86-R93 VanDerWaalsContact OE1-NH1 3.1Å; E86-R93 IonicContact OE1-NH2 3.45Å; E86-R93 PolarHBondContact OE1-NH2 3.37Å; A89-R93 WeakPolarHBondContact O-CG 3.31Å; A89-R93 PolarHBondContact O-N 3.08Å; S90-R93 PolarHBondContact O-N 2.91Å; R93-T95 VanDerWaalsContact C-N 3.34Å; R93-T95 PolarHBondContact O-N 3.43Å; R93-V96 PolarHBondContact O-N 2.93Å; R93-E97 WeakPolarHBondContact O-CB 3.49Å; R93-E97 VanDerWaalsContact O-CG 3.23Å; R93-E97 WeakPolarHBondContact O-CG 3.19Å; R93-E97 PolarHBondContact O-N 3.43Å
94	R	98.5	Very high	97.9	Very high	94 Å²	94	60.1 Å²	60.1	36%	0.355	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-42.2	177.4	-179.5	55.4	176.2	174.8	-1	112.3	N62 S90 A91 V92 E97 L98	N62-R94 PolarHBondContact OD1-NH2 3.46Å; S90-R94 WeakPolarHBondContact O-CB 3.41Å; S90-R94 PolarHBondContact O-N 2.97Å; A91-R94 PolarHBondContact O-N 3.05Å; V92-R94 VanDerWaalsContact C-N 3.29Å; V92-R94 PolarHBondContact O-N 3.44Å; R94-E97 PolarHBondContact O-N 3.01Å; R94-L98 HydrophobicContact CG-CD1 4.04Å; R94-L98 HydrophobicContact CG-CG 4.5Å; R94-L98 WeakPolarHBondContact O-CB 3.33Å; R94-L98 WeakPolarHBondContact O-CG 3.44Å; R94-L98 PolarHBondContact O-N 3.09Å
95	T	98.7	Very high	98	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-47.9	176.9	-58.4	0	0	0	0	110.8	H67 V68 T71 A91 V92 R93 A99 A112	H67-T95 HydrophobicContact CB-CG2 4.23Å; V68-T95 HydrophobicContact CG2-CG2 3.88Å; T71-T95 PolarHBondContact OG1-OG1 3.42Å; A91-T95 WeakPolarHBondContact O-CB 3.48Å; A91-T95 PolarHBondContact O-N 3.02Å; A91-T95 PolarHBondContact O-OG1 3.15Å; V92-T95 WeakPolarHBondContact O-CB 3.45Å; V92-T95 PolarHBondContact O-N 3.34Å; V92-T95 VanDerWaalsContact O-N 3.11Å; R93-T95 VanDerWaalsContact C-N 3.34Å; R93-T95 PolarHBondContact O-N 3.43Å; T95-A99 WeakPolarHBondContact O-CB 3.44Å; T95-A99 PolarHBondContact O-N 3.36Å; T95-A112 HydrophobicContact CG2-CB 4.16Å
96	V	98.6	Very high	98	Very high	30 Å²	30	60.4 Å²	60.4	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-66.9	-42.9	179.7	176.3	0	0	0	0	111.9	V92 R93 A99 S100 E116	V92-V96 WeakPolarHBondContact O-CG2 3.42Å; V92-V96 PolarHBondContact O-N 3.36Å; R93-V96 PolarHBondContact O-N 2.93Å; V96-A99 PolarHBondContact O-N 3.42Å; V96-S100 WeakPolarHBondContact O-CB 3.35Å; V96-S100 PolarHBondContact O-N 3.34Å; V96-S100 PolarHBondContact O-OG 2.96Å; V96-E116 HydrophobicContact CG2-CB 3.74Å; V96-E116 HydrophobicContact CG2-CG 3.93Å
97	E	98.6	Very high	98	Very high	103 Å²	103	55 Å²	55	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-46.2	176.8	-76.6	169.8	-172.3	0	0	111.8	R93 R94 S100 S101	R93-E97 WeakPolarHBondContact O-CB 3.49Å; R93-E97 VanDerWaalsContact O-CG 3.23Å; R93-E97 WeakPolarHBondContact O-CG 3.19Å; R93-E97 PolarHBondContact O-N 3.43Å; R94-E97 PolarHBondContact O-N 3.01Å; E97-S100 PolarHBondContact O-N 3.44Å; E97-S101 VanDerWaalsContact O-CB 3.29Å; E97-S101 WeakPolarHBondContact O-CB 3.34Å; E97-S101 PolarHBondContact O-N 3.48Å; E97-S101 PolarHBondContact O-OG 3.24Å
98	L	98.3	Very high	98.1	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-45	177.5	-74.9	170.5	0	0	0	111.3	N62 V64 H67 R94 S100 S101 Q102	N62-L98 HydrophobicContact CB-CD2 4.05Å; V64-L98 HydrophobicContact CG2-CB 3.92Å; H67-L98 WeakPolarHBondContact CD2-CD1 3.25Å; H67-L98 WeakPolarHBondContact NE2-CD1 3.42Å; R94-L98 HydrophobicContact CG-CD1 4.04Å; R94-L98 HydrophobicContact CG-CG 4.5Å; R94-L98 WeakPolarHBondContact O-CB 3.33Å; R94-L98 WeakPolarHBondContact O-CG 3.44Å; R94-L98 PolarHBondContact O-N 3.09Å; L98-S100 PolarHBondContact O-N 3.04Å; L98-S101 PolarHBondContact O-N 2.89Å; L98-S101 PolarHBondContact O-OG 2.72Å; L98-Q102 WeakPolarHBondContact O-CB 3.49Å; L98-Q102 WeakPolarHBondContact O-CG 3.18Å; L98-Q102 PolarHBondContact O-N 3.03Å
99	A	98.1	Very high	98.1	Very high	6 Å²	6	53 Å²	53	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-31.2	178.8	0	0	0	0	0	113.2	V64 T95 V96 I104 A112	V64-A99 HydrophobicContact CG1-CB 4.02Å; T95-A99 WeakPolarHBondContact O-CB 3.44Å; T95-A99 PolarHBondContact O-N 3.36Å; V96-A99 PolarHBondContact O-N 3.42Å; A99-I104 HydrophobicContact CB-CD1 3.9Å; A99-A112 HydrophobicContact CB-CB 3.47Å; A99-A112 VanDerWaalsContact CB-CB 3.47Å
100	S	97.3	Very high	98.1	Very high	100 Å²	100	53.8 Å²	53.8	70%	0.699	30%	0.295	S	S	*	.	H	α-helix	trans	-84	-27	-179.9	-57.8	0	0	0	0	113.5	V96 E97 L98	V96-S100 WeakPolarHBondContact O-CB 3.35Å; V96-S100 PolarHBondContact O-N 3.34Å; V96-S100 PolarHBondContact O-OG 2.96Å; E97-S100 PolarHBondContact O-N 3.44Å; L98-S100 PolarHBondContact O-N 3.04Å
101	S	96.9	Very high	98.1	Very high	92 Å²	92	51 Å²	51	64%	0.643	28%	0.276	S	S	*	.	H	α-helix	trans	-95.2	-14.1	-174.5	57.1	0	0	0	0	114.4	E97 L98	E97-S101 VanDerWaalsContact O-CB 3.29Å; E97-S101 WeakPolarHBondContact O-CB 3.34Å; E97-S101 PolarHBondContact O-N 3.48Å; E97-S101 PolarHBondContact O-OG 3.24Å; L98-S101 PolarHBondContact O-N 2.89Å; L98-S101 PolarHBondContact O-OG 2.72Å
102	Q	96.6	Very high	98.1	Very high	60 Å²	60	50 Å²	50	28%	0.28	27%	0.267	S	S	.	.	S	Bend	trans	-106.9	153.2	-177.7	-65.2	-176.1	47.2	0	0	112.7	N62 L98 I104	N62-Q102 PolarHBondContact O-NE2 3.16Å; L98-Q102 WeakPolarHBondContact O-CB 3.49Å; L98-Q102 WeakPolarHBondContact O-CG 3.18Å; L98-Q102 PolarHBondContact O-N 3.03Å; Q102-I104 HydrophobicContact CB-CG2 3.77Å; Q102-I104 PolarHBondContact O-N 3.24Å; Q102-I104 VanDerWaalsContact O-N 3.13Å
103	D	95.5	Very high	98.1	Very high	165 Å²	165	54.4 Å²	54.4	88%	0.882	29%	0.286	S	S	*	.			trans	-83	83.4	169.8	-168.7	22.9	0	0	0	110
104	I	97.4	Very high	98.1	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.046	27%	0.266	C	S	.	.			trans	-111.8	164.6	179.7	62.5	171.6	0	0	0	111.5	V64 A99 Q102 E108 K109	V64-I104 HydrophobicContact CB-CD1 4.29Å; V64-I104 HydrophobicContact CG1-CD1 3.84Å; V64-I104 HydrophobicContact CG2-CD1 4.14Å; V64-I104 HydrophobicContact CG2-CG2 4.1Å; A99-I104 HydrophobicContact CB-CD1 3.9Å; Q102-I104 HydrophobicContact CB-CG2 3.77Å; Q102-I104 PolarHBondContact O-N 3.24Å; Q102-I104 VanDerWaalsContact O-N 3.13Å; I104-E108 HydrophobicContact CB-CB 4.3Å; I104-E108 HydrophobicContact CD1-CB 3.81Å; I104-E108 HydrophobicContact CG1-CB 4.35Å; I104-K109 HydrophobicContact CD1-CG 3.67Å; I104-K109 HydrophobicContact CG1-CD 4.32Å; I104-K109 HydrophobicContact CG1-CG 3.65Å
105	S	97.8	Very high	98.1	Very high	29 Å²	29	44.8 Å²	44.8	20%	0.203	25%	0.249	C	C	.	.			trans	-64	152.8	-179.8	66.6	0	0	0	0	112.5	R107 E108 K109	S105-R107 PolarHBondContact O-N 3.06Å; S105-E108 PolarHBondContact N-OE2 3.14Å; S105-E108 VanDerWaalsContact N-OE2 3.15Å; S105-E108 PolarHBondContact O-N 3.07Å; S105-E108 VanDerWaalsContact O-N 3.13Å; S105-E108 VanDerWaalsContact OG-CG 3.25Å; S105-E108 WeakPolarHBondContact OG-CG 3.09Å; S105-E108 PolarHBondContact OG-N 2.82Å; S105-E108 PolarHBondContact OG-OE2 2.87Å; S105-K109 PolarHBondContact O-N 2.97Å
106	P	98.1	Very high	98.1	Very high	106 Å²	106	48 Å²	48	69%	0.688	27%	0.265	S	S	*	.	H	α-helix	trans	-53.1	-39.9	174.2	-27.9	35.8	0	0	0	113.1	E108 K109 L110	P106-E108 PolarHBondContact O-N 3.33Å; P106-K109 WeakPolarHBondContact O-CB 3.48Å; P106-K109 PolarHBondContact O-N 3.3Å; P106-L110 WeakPolarHBondContact O-CG 3.42Å; P106-L110 PolarHBondContact O-N 2.93Å
107	R	98.6	Very high	98.2	Very high	5 Å²	5	48.2 Å²	48.2	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-55.6	-47.5	175.6	-176.9	-177.1	70.1	128.3	-6.3	113	L17 P18 S105 K109 L110 H111 I133 D140	L17-R107 PolarHBondContact O-NH2 3.38Å; P18-R107 PolarHBondContact O-NH2 2.86Å; S105-R107 PolarHBondContact O-N 3.06Å; R107-K109 VanDerWaalsContact C-N 3.33Å; R107-K109 PolarHBondContact O-N 3.24Å; R107-L110 PolarHBondContact O-N 3.09Å; R107-H111 PolarHBondContact O-N 3.44Å; R107-H111 VanDerWaalsContact O-N 3.07Å; R107-I133 HydrophobicContact CG-CG2 3.94Å; R107-D140 WeakPolarHBondContact CD-OD2 3.34Å; R107-D140 IonicContact CZ-OD2 3.86Å; R107-D140 IonicContact NE-OD2 3.36Å; R107-D140 IonicContact NH1-OD2 3.44Å; R107-D140 PolarHBondContact NH1-OD2 2.6Å
108	E	98.8	Very high	98.2	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-34.7	179.7	-65.9	171.9	106.5	0	0	111.7	S20 M65 I104 S105 P106 H111 A112	S20-E108 WeakPolarHBondContact CB-OE1 3.44Å; S20-E108 PolarHBondContact N-OE1 3.02Å; S20-E108 PolarHBondContact OG-OE1 3.45Å; M65-E108 HydrophobicContact CG-CB 4.25Å; M65-E108 HydrophobicContact CG-CG 3.55Å; M65-E108 WeakPolarHBondContact CG-OE1 3.45Å; M65-E108 HydrophobicContact SD-CB 4.04Å; M65-E108 HydrophobicContact SD-CG 3.8Å; I104-E108 HydrophobicContact CB-CB 4.3Å; I104-E108 HydrophobicContact CD1-CB 3.81Å; I104-E108 HydrophobicContact CG1-CB 4.35Å; S105-E108 PolarHBondContact N-OE2 3.14Å; S105-E108 VanDerWaalsContact N-OE2 3.15Å; S105-E108 PolarHBondContact O-N 3.07Å; S105-E108 VanDerWaalsContact O-N 3.13Å; S105-E108 VanDerWaalsContact OG-CG 3.25Å; S105-E108 WeakPolarHBondContact OG-CG 3.09Å; S105-E108 PolarHBondContact OG-N 2.82Å; S105-E108 PolarHBondContact OG-OE2 2.87Å; P106-E108 PolarHBondContact O-N 3.33Å; E108-H111 PolarHBondContact O-N 3.48Å; E108-A112 PolarHBondContact O-N 3.07Å; E108-A112 VanDerWaalsContact O-N 3.13Å
109	K	98.8	Very high	98.2	Very high	97 Å²	97	44.4 Å²	44.4	42%	0.422	25%	0.248	S	C	.	.	H	α-helix	trans	-64.3	-41.6	173.4	-65.3	179.8	-178.6	174.9	0	111.9	I104 S105 P106 R107 A112 K113	I104-K109 HydrophobicContact CD1-CG 3.67Å; I104-K109 HydrophobicContact CG1-CD 4.32Å; I104-K109 HydrophobicContact CG1-CG 3.65Å; S105-K109 PolarHBondContact O-N 2.97Å; P106-K109 WeakPolarHBondContact O-CB 3.48Å; P106-K109 PolarHBondContact O-N 3.3Å; R107-K109 VanDerWaalsContact C-N 3.33Å; R107-K109 PolarHBondContact O-N 3.24Å; K109-A112 PolarHBondContact O-N 3.24Å; K109-K113 WeakPolarHBondContact O-CB 3.22Å; K109-K113 PolarHBondContact O-N 3.25Å
110	L	98.9	Very high	98.2	Very high	26 Å²	26	49.6 Å²	49.6	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-42.2	176.9	-69.3	173.7	0	0	0	111.3	P106 R107 A112 K113 A114 V129 E132 I133	P106-L110 WeakPolarHBondContact O-CG 3.42Å; P106-L110 PolarHBondContact O-N 2.93Å; R107-L110 PolarHBondContact O-N 3.09Å; L110-A112 PolarHBondContact O-N 3.22Å; L110-K113 PolarHBondContact O-N 3.45Å; L110-A114 WeakPolarHBondContact O-CB 3.27Å; L110-A114 PolarHBondContact O-N 3.26Å; L110-V129 HydrophobicContact CB-CG1 3.89Å; L110-V129 HydrophobicContact CD2-CG1 3.98Å; L110-V129 WeakPolarHBondContact O-CG1 3.47Å; L110-E132 HydrophobicContact CD1-CG 4.06Å; L110-I133 HydrophobicContact CB-CD1 3.69Å; L110-I133 HydrophobicContact CB-CG1 3.58Å; L110-I133 HydrophobicContact CD1-CG1 3.81Å; L110-I133 HydrophobicContact CG-CG1 4.36Å
111	H	98.9	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-48.1	174.5	-94.1	-61.4	0	0	0	112.6	M65 V68 R107 E108 K113 A114 V115 W130 I133 D140 A143	M65-H111 HydrophobicContact CE-CB 4.14Å; M65-H111 VanDerWaalsContact CE-CD2 3.49Å; M65-H111 WeakPolarHBondContact CE-CD2 3.49Å; M65-H111 HydrophobicContact SD-CB 3.86Å; V68-H111 HydrophobicContact CG1-CB 3.81Å; V68-H111 HydrophobicContact CG2-CB 4.2Å; R107-H111 PolarHBondContact O-N 3.44Å; R107-H111 VanDerWaalsContact O-N 3.07Å; E108-H111 PolarHBondContact O-N 3.48Å; H111-K113 VanDerWaalsContact C-N 3.34Å; H111-K113 PolarHBondContact O-N 3.44Å; H111-A114 PolarHBondContact O-N 3.02Å; H111-V115 WeakPolarHBondContact O-CG2 3.41Å; H111-V115 PolarHBondContact O-N 3.15Å; H111-W130 AromaticContact ND1-CD1 3.83Å; H111-W130 AromaticContact ND1-NE1 3.7Å; H111-I133 HydrophobicContact CB-CD1 4.35Å; H111-D140 IonicContact CE1-OD1 3.42Å; H111-D140 IonicContact NE2-OD1 2.72Å; H111-D140 PolarHBondContact NE2-OD1 3.45Å; H111-D140 IonicContact NE2-OD2 3.86Å; H111-D140 PolarHBondContact NE2-OD2 3.19Å; H111-A143 PolarHBondContact CE1-N 2.97Å
112	A	98.9	Very high	98.2	Very high	3 Å²	3	41 Å²	41	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-41.6	176.8	0	0	0	0	0	112.4	V68 T95 A99 E108 K109 L110 V115 E116	V68-A112 HydrophobicContact CG2-CB 4.2Å; T95-A112 HydrophobicContact CG2-CB 4.16Å; A99-A112 HydrophobicContact CB-CB 3.47Å; A99-A112 VanDerWaalsContact CB-CB 3.47Å; E108-A112 PolarHBondContact O-N 3.07Å; E108-A112 VanDerWaalsContact O-N 3.13Å; K109-A112 PolarHBondContact O-N 3.24Å; L110-A112 PolarHBondContact O-N 3.22Å; A112-V115 PolarHBondContact O-N 2.87Å; A112-E116 PolarHBondContact O-N 3.35Å
113	K	98.9	Very high	98.3	Very high	100 Å²	100	38.3 Å²	38.3	44%	0.435	20%	0.199	S	C	.	.	H	α-helix	trans	-62.6	-41.9	175.1	178.1	-177.2	174.5	-166.3	0	112.3	K109 L110 H111 E116 L117 V129	K109-K113 WeakPolarHBondContact O-CB 3.22Å; K109-K113 PolarHBondContact O-N 3.25Å; L110-K113 PolarHBondContact O-N 3.45Å; H111-K113 VanDerWaalsContact C-N 3.34Å; H111-K113 PolarHBondContact O-N 3.44Å; K113-E116 PolarHBondContact O-N 2.89Å; K113-L117 HydrophobicContact CG-CD1 4.07Å; K113-L117 WeakPolarHBondContact O-CG 3.34Å; K113-L117 PolarHBondContact O-N 2.82Å; K113-V129 HydrophobicContact CB-CG1 4.5Å; K113-V129 HydrophobicContact CD-CG1 4.44Å; K113-V129 HydrophobicContact CD-CG2 4.22Å; K113-V129 HydrophobicContact CG-CG2 4.46Å
114	A	98.9	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-42.3	178.2	0	0	0	0	0	111.6	L110 H111 E116 L117 F118 A126 V129 W130	L110-A114 WeakPolarHBondContact O-CB 3.27Å; L110-A114 PolarHBondContact O-N 3.26Å; H111-A114 PolarHBondContact O-N 3.02Å; A114-E116 PolarHBondContact O-N 3.2Å; A114-L117 PolarHBondContact O-N 2.99Å; A114-F118 WeakPolarHBondContact O-CB 3.4Å; A114-F118 PolarHBondContact O-N 3.48Å; A114-A126 WeakPolarHBondContact O-CB 3.34Å; A114-V129 HydrophobicContact CB-CB 4Å; A114-V129 HydrophobicContact CB-CG1 3.8Å; A114-W130 HydrophobicContact CB-CD2 3.88Å; A114-W130 VanDerWaalsContact CB-CE2 3.4Å; A114-W130 HydrophobicContact CB-CG 4.06Å; A114-W130 HydrophobicContact CB-CZ2 3.83Å; A114-W130 VanDerWaalsContact CB-NE1 3.33Å
115	V	98.8	Very high	98.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-43.8	174.1	165.9	0	0	0	0	111.5	V68 T71 L75 H111 A112 F118 S119	V68-V115 HydrophobicContact CG1-CG2 4.03Å; T71-V115 HydrophobicContact CG2-CG1 3.96Å; L75-V115 HydrophobicContact CD1-CG1 3.81Å; H111-V115 WeakPolarHBondContact O-CG2 3.41Å; H111-V115 PolarHBondContact O-N 3.15Å; A112-V115 PolarHBondContact O-N 2.87Å; V115-F118 PolarHBondContact O-N 2.64Å; V115-S119 PolarHBondContact O-N 3.26Å
116	E	98.8	Very high	98.6	Very high	70 Å²	70	34.6 Å²	34.6	33%	0.327	18%	0.175	S	C	.	.	H	α-helix	trans	-62.7	-45.2	174.9	-178.3	-177.4	-144.4	0	0	112.2	V96 A112 K113 A114 F118 S119 H120	V96-E116 HydrophobicContact CG2-CB 3.74Å; V96-E116 HydrophobicContact CG2-CG 3.93Å; A112-E116 PolarHBondContact O-N 3.35Å; K113-E116 PolarHBondContact O-N 2.89Å; A114-E116 PolarHBondContact O-N 3.2Å; E116-F118 VanDerWaalsContact C-N 3.3Å; E116-F118 PolarHBondContact O-N 2.91Å; E116-S119 PolarHBondContact O-N 3.28Å; E116-S119 PolarHBondContact O-OG 3.06Å; E116-H120 PolarHBondContact O-N 2.89Å; E116-H120 PolarHBondContact O-ND1 3.22Å
117	L	98.9	Very high	98.6	Very high	33 Å²	33	29.7 Å²	29.7	17%	0.173	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-42.3	177.2	-73.4	164.7	0	0	0	111.3	K113 A114 H120 N122 K125 A126 V129	K113-L117 HydrophobicContact CG-CD1 4.07Å; K113-L117 WeakPolarHBondContact O-CG 3.34Å; K113-L117 PolarHBondContact O-N 2.82Å; A114-L117 PolarHBondContact O-N 2.99Å; L117-H120 PolarHBondContact O-N 3.38Å; L117-N122 WeakPolarHBondContact O-CB 3.47Å; L117-N122 PolarHBondContact O-N 3Å; L117-K125 HydrophobicContact CD1-CB 4Å; L117-K125 HydrophobicContact CD2-CB 4.15Å; L117-K125 HydrophobicContact CD2-CD 4.32Å; L117-A126 HydrophobicContact CB-CB 4.04Å; L117-V129 HydrophobicContact CD1-CG2 3.76Å
118	F	98.8	Very high	98.6	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-41.3	177.6	-167	-80	0	0	0	111.6	L75 I76 A114 V115 E116 H120 G121 F123 A126 W130 A150 Y153	L75-F118 HydrophobicContact CB-CD1 3.82Å; L75-F118 HydrophobicContact CB-CE1 4Å; I76-F118 HydrophobicContact CD1-CD2 4.35Å; I76-F118 HydrophobicContact CD1-CE1 4.31Å; I76-F118 HydrophobicContact CD1-CE2 3.73Å; I76-F118 HydrophobicContact CD1-CZ 3.71Å; A114-F118 WeakPolarHBondContact O-CB 3.4Å; A114-F118 PolarHBondContact O-N 3.48Å; V115-F118 PolarHBondContact O-N 2.64Å; E116-F118 VanDerWaalsContact C-N 3.3Å; E116-F118 PolarHBondContact O-N 2.91Å; F118-H120 PolarHBondContact O-N 3.4Å; F118-G121 WeakPolarHBondContact O-CA 3.29Å; F118-G121 PolarHBondContact O-N 3Å; F118-F123 HydrophobicContact CD1-CD1 4.29Å; F118-F123 AromaticContact CD1-CE1 3.92Å; F118-F123 HydrophobicContact CD1-CE1 3.92Å; F118-F123 AromaticContact CD2-CD1 3.45Å; F118-F123 HydrophobicContact CD2-CD1 3.45Å; F118-F123 VanDerWaalsContact CD2-CD1 3.45Å; F118-F123 AromaticContact CD2-CE1 3.87Å; F118-F123 HydrophobicContact CD2-CE1 3.87Å; F118-F123 HydrophobicContact CD2-CG 4.28Å; F118-F123 HydrophobicContact CE1-CD1 4.24Å; F118-F123 AromaticContact CE1-CE1 3.63Å; F118-F123 HydrophobicContact CE1-CE1 3.63Å; F118-F123 HydrophobicContact CE1-CZ 4.28Å; F118-F123 AromaticContact CE2-CD1 3.38Å; F118-F123 HydrophobicContact CE2-CD1 3.38Å; F118-F123 AromaticContact CE2-CE1 3.57Å; F118-F123 HydrophobicContact CE2-CE1 3.57Å; F118-F123 AromaticContact CE2-CG 3.99Å; F118-F123 HydrophobicContact CE2-CG 3.99Å; F118-F123 HydrophobicContact CE2-CZ 4.29Å; F118-F123 AromaticContact CG-CD1 3.92Å; F118-F123 HydrophobicContact CG-CD1 3.92Å; F118-F123 HydrophobicContact CG-CE1 4.04Å; F118-F123 AromaticContact CZ-CD1 3.8Å; F118-F123 HydrophobicContact CZ-CD1 3.8Å; F118-F123 AromaticContact CZ-CE1 3.44Å; F118-F123 HydrophobicContact CZ-CE1 3.44Å; F118-F123 VanDerWaalsContact CZ-CE1 3.44Å; F118-F123 AromaticContact CZ-CZ 3.93Å; F118-F123 HydrophobicContact CZ-CZ 3.93Å; F118-A126 HydrophobicContact CB-CB 3.94Å; F118-A126 HydrophobicContact CD2-CB 4.3Å; F118-W130 HydrophobicContact CB-CH2 4.15Å; F118-W130 AromaticContact CD2-CH2 3.76Å; F118-W130 HydrophobicContact CD2-CH2 3.76Å; F118-W130 HydrophobicContact CD2-CZ3 4.06Å; F118-W130 HydrophobicContact CG-CH2 4.19Å; F118-A150 HydrophobicContact CD2-CB 4.33Å; F118-A150 HydrophobicContact CE2-CB 3.87Å; F118-Y153 HydrophobicContact CE2-CD2 4.39Å; F118-Y153 HydrophobicContact CZ-CD2 4.06Å; F118-Y153 HydrophobicContact CZ-CE2 4.18Å
119	S	98.4	Very high	98.7	Very high	19 Å²	19	35.9 Å²	35.9	13%	0.133	17%	0.173	C	C	.	.	H	α-helix	trans	-64	-24.1	178.9	69.9	0	0	0	0	113.9	V92 V115 E116 G121	V92-S119 WeakPolarHBondContact CG1-OG 3.46Å; V115-S119 PolarHBondContact O-N 3.26Å; E116-S119 PolarHBondContact O-N 3.28Å; E116-S119 PolarHBondContact O-OG 3.06Å; S119-G121 VanDerWaalsContact C-N 3.28Å
120	H	97.6	Very high	98.7	Very high	116 Å²	116	31.3 Å²	31.3	54%	0.537	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	5.6	172.8	-63.3	104.5	0	0	0	113.1	E116 L117 F118 N122	E116-H120 PolarHBondContact O-N 2.89Å; E116-H120 PolarHBondContact O-ND1 3.22Å; L117-H120 PolarHBondContact O-N 3.38Å; F118-H120 PolarHBondContact O-N 3.4Å; H120-N122 VanDerWaalsContact C-N 3.29Å; H120-N122 PolarHBondContact O-N 2.79Å
121	G	97.8	Very high	98.7	Very high	4 Å²	4	31.3 Å²	31.3	4%	0.041	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	15.2	-178.1	0	0	0	0	0	114.2	F118 S119 F123 Q366	F118-G121 WeakPolarHBondContact O-CA 3.29Å; F118-G121 PolarHBondContact O-N 3Å; S119-G121 VanDerWaalsContact C-N 3.28Å; G121-F123 VanDerWaalsContact C-N 3.27Å; G121-F123 PolarHBondContact O-N 2.86Å; G121-Q366 PolarHBondContact O-N 3.44Å
122	N	98.4	Very high	98.7	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.032	17%	0.172	C	C	.	.			trans	-90.5	62.7	176.6	-159.9	-25.7	0	0	0	110.8	L117 H120 P124 K125 A126 D364	L117-N122 WeakPolarHBondContact O-CB 3.47Å; L117-N122 PolarHBondContact O-N 3Å; H120-N122 VanDerWaalsContact C-N 3.29Å; H120-N122 PolarHBondContact O-N 2.79Å; N122-P124 VanDerWaalsContact C-N 3.33Å; N122-K125 WeakPolarHBondContact ND2-CD 3.13Å; N122-K125 WeakPolarHBondContact ND2-CE 3.32Å; N122-K125 PolarHBondContact ND2-NZ 3.23Å; N122-K125 PolarHBondContact O-N 2.94Å; N122-K125 WeakPolarHBondContact OD1-CB 3.35Å; N122-K125 WeakPolarHBondContact OD1-CG 3.33Å; N122-K125 PolarHBondContact OD1-N 3.29Å; N122-A126 PolarHBondContact O-N 3.46Å; N122-D364 PolarHBondContact ND2-OD2 2.81Å; N122-D364 VanDerWaalsContact ND2-OD2 3.1Å
123	F	98.4	Very high	98.7	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-56.1	-38.1	-178.8	-53.5	-21.2	0	0	0	113.8	F118 G121 A126 C127 M154 T328 Q367	F118-F123 HydrophobicContact CD1-CD1 4.29Å; F118-F123 AromaticContact CD1-CE1 3.92Å; F118-F123 HydrophobicContact CD1-CE1 3.92Å; F118-F123 AromaticContact CD2-CD1 3.45Å; F118-F123 HydrophobicContact CD2-CD1 3.45Å; F118-F123 VanDerWaalsContact CD2-CD1 3.45Å; F118-F123 AromaticContact CD2-CE1 3.87Å; F118-F123 HydrophobicContact CD2-CE1 3.87Å; F118-F123 HydrophobicContact CD2-CG 4.28Å; F118-F123 HydrophobicContact CE1-CD1 4.24Å; F118-F123 AromaticContact CE1-CE1 3.63Å; F118-F123 HydrophobicContact CE1-CE1 3.63Å; F118-F123 HydrophobicContact CE1-CZ 4.28Å; F118-F123 AromaticContact CE2-CD1 3.38Å; F118-F123 HydrophobicContact CE2-CD1 3.38Å; F118-F123 AromaticContact CE2-CE1 3.57Å; F118-F123 HydrophobicContact CE2-CE1 3.57Å; F118-F123 AromaticContact CE2-CG 3.99Å; F118-F123 HydrophobicContact CE2-CG 3.99Å; F118-F123 HydrophobicContact CE2-CZ 4.29Å; F118-F123 AromaticContact CG-CD1 3.92Å; F118-F123 HydrophobicContact CG-CD1 3.92Å; F118-F123 HydrophobicContact CG-CE1 4.04Å; F118-F123 AromaticContact CZ-CD1 3.8Å; F118-F123 HydrophobicContact CZ-CD1 3.8Å; F118-F123 AromaticContact CZ-CE1 3.44Å; F118-F123 HydrophobicContact CZ-CE1 3.44Å; F118-F123 VanDerWaalsContact CZ-CE1 3.44Å; F118-F123 AromaticContact CZ-CZ 3.93Å; F118-F123 HydrophobicContact CZ-CZ 3.93Å; G121-F123 VanDerWaalsContact C-N 3.27Å; G121-F123 PolarHBondContact O-N 2.86Å; F123-A126 PolarHBondContact O-N 2.66Å; F123-C127 PolarHBondContact O-N 3.44Å; F123-C127 PolarHBondContact O-SG 3.45Å; F123-M154 HydrophobicContact CB-CE 4.4Å; F123-M154 HydrophobicContact CB-CG 3.95Å; F123-M154 HydrophobicContact CB-SD 3.64Å; F123-M154 HydrophobicContact CD2-CG 4.22Å; F123-T328 HydrophobicContact CE2-CG2 4.39Å; F123-Q367 HydrophobicContact CD2-CG 4.4Å; F123-Q367 HydrophobicContact CE2-CG 3.78Å; F123-Q367 HydrophobicContact CZ-CG 4.48Å
124	P	98.6	Very high	98.6	Very high	43 Å²	43	30.9 Å²	30.9	28%	0.279	15%	0.152	S	C	.	.	H	α-helix	trans	-63.3	-47.5	179.2	-22.6	35.1	0	0	0	111.8	N122 A126 C127 E128 M154 Q366	N122-P124 VanDerWaalsContact C-N 3.33Å; P124-A126 VanDerWaalsContact C-N 3.34Å; P124-A126 PolarHBondContact O-N 3.27Å; P124-C127 WeakPolarHBondContact O-CB 3.21Å; P124-C127 PolarHBondContact O-N 3.4Å; P124-E128 WeakPolarHBondContact O-CG 3.22Å; P124-E128 PolarHBondContact O-N 3.07Å; P124-M154 HydrophobicContact CB-SD 4.29Å; P124-M154 HydrophobicContact CG-SD 3.72Å; P124-Q366 HydrophobicContact CG-CB 4.41Å; P124-Q366 HydrophobicContact CG-CG 4.22Å
125	K	98.8	Very high	98.6	Very high	83 Å²	83	36.4 Å²	36.4	36%	0.361	18%	0.18	S	C	.	.	H	α-helix	trans	-68.2	-33.7	177.9	-68	-172	-166.4	160.8	0	112.1	L117 N122 C127 E128 V129 D364	L117-K125 HydrophobicContact CD1-CB 4Å; L117-K125 HydrophobicContact CD2-CB 4.15Å; L117-K125 HydrophobicContact CD2-CD 4.32Å; N122-K125 WeakPolarHBondContact ND2-CD 3.13Å; N122-K125 WeakPolarHBondContact ND2-CE 3.32Å; N122-K125 PolarHBondContact ND2-NZ 3.23Å; N122-K125 PolarHBondContact O-N 2.94Å; N122-K125 WeakPolarHBondContact OD1-CB 3.35Å; N122-K125 WeakPolarHBondContact OD1-CG 3.33Å; N122-K125 PolarHBondContact OD1-N 3.29Å; K125-C127 VanDerWaalsContact C-N 3.33Å; K125-E128 PolarHBondContact O-N 3.4Å; K125-V129 WeakPolarHBondContact O-CG2 3.37Å; K125-V129 PolarHBondContact O-N 3.05Å; K125-V129 VanDerWaalsContact O-N 3.1Å; K125-D364 IonicContact NZ-OD2 3.83Å; K125-D364 PolarHBondContact NZ-OD2 2.98Å
126	A	98.9	Very high	98.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-44.5	173.5	0	0	0	0	0	111.1	A114 L117 F118 N122 F123 P124 V129 W130	A114-A126 WeakPolarHBondContact O-CB 3.34Å; L117-A126 HydrophobicContact CB-CB 4.04Å; F118-A126 HydrophobicContact CB-CB 3.94Å; F118-A126 HydrophobicContact CD2-CB 4.3Å; N122-A126 PolarHBondContact O-N 3.46Å; F123-A126 PolarHBondContact O-N 2.66Å; P124-A126 VanDerWaalsContact C-N 3.34Å; P124-A126 PolarHBondContact O-N 3.27Å; A126-V129 PolarHBondContact O-N 3.17Å; A126-W130 HydrophobicContact CB-CE3 4.26Å; A126-W130 HydrophobicContact CB-CH2 4.04Å; A126-W130 HydrophobicContact CB-CZ3 3.76Å; A126-W130 PolarHBondContact O-N 3.3Å
127	C	98.8	Very high	98.5	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.02	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-45.1	174	-65.4	0	0	0	0	112.2	F123 P124 K125 V129 W130 E131 A150 Y151 M154	F123-C127 PolarHBondContact O-N 3.44Å; F123-C127 PolarHBondContact O-SG 3.45Å; P124-C127 WeakPolarHBondContact O-CB 3.21Å; P124-C127 PolarHBondContact O-N 3.4Å; K125-C127 VanDerWaalsContact C-N 3.33Å; C127-V129 PolarHBondContact O-N 3.07Å; C127-W130 PolarHBondContact O-N 3.4Å; C127-W130 VanDerWaalsContact O-N 3.16Å; C127-E131 WeakPolarHBondContact O-CB 3.03Å; C127-E131 VanDerWaalsContact O-CG 3.27Å; C127-E131 WeakPolarHBondContact O-CG 3.48Å; C127-E131 PolarHBondContact O-N 3.14Å; C127-A150 WeakPolarHBondContact SG-CB 3.36Å; C127-Y151 HydrophobicContact CB-CD1 4.37Å; C127-Y151 HydrophobicContact CB-CE1 3.66Å; C127-M154 HydrophobicContact CB-CE 4.35Å; C127-M154 WeakPolarHBondContact SG-CE 3.14Å
128	E	98.8	Very high	98.5	Very high	129 Å²	129	41 Å²	41	60%	0.603	21%	0.207	S	C	*	.	H	α-helix	trans	-55	-40.5	175.8	-71.8	169.5	-177	0	0	112.1	P124 K125 E131 E132	P124-E128 WeakPolarHBondContact O-CG 3.22Å; P124-E128 PolarHBondContact O-N 3.07Å; K125-E128 PolarHBondContact O-N 3.4Å; E128-E131 PolarHBondContact O-N 3.35Å; E128-E132 PolarHBondContact O-N 3.37Å
129	V	98.9	Very high	98.5	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.048	21%	0.213	C	C	.	.	H	α-helix	trans	-72.1	-39	178	176.6	0	0	0	0	112.1	L110 K113 A114 L117 K125 A126 C127 E132 I133	L110-V129 HydrophobicContact CB-CG1 3.89Å; L110-V129 HydrophobicContact CD2-CG1 3.98Å; L110-V129 WeakPolarHBondContact O-CG1 3.47Å; K113-V129 HydrophobicContact CB-CG1 4.5Å; K113-V129 HydrophobicContact CD-CG1 4.44Å; K113-V129 HydrophobicContact CD-CG2 4.22Å; K113-V129 HydrophobicContact CG-CG2 4.46Å; A114-V129 HydrophobicContact CB-CB 4Å; A114-V129 HydrophobicContact CB-CG1 3.8Å; L117-V129 HydrophobicContact CD1-CG2 3.76Å; K125-V129 WeakPolarHBondContact O-CG2 3.37Å; K125-V129 PolarHBondContact O-N 3.05Å; K125-V129 VanDerWaalsContact O-N 3.1Å; A126-V129 PolarHBondContact O-N 3.17Å; C127-V129 PolarHBondContact O-N 3.07Å; V129-E132 WeakPolarHBondContact O-CB 3.36Å; V129-E132 PolarHBondContact O-N 2.88Å; V129-I133 PolarHBondContact O-N 3.44Å
130	W	98.9	Very high	98.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-37.3	172.5	-72.1	-48.9	0	0	0	112.1	H111 A114 F118 A126 C127 E132 I133 L134 A143 F146 A147 A150	H111-W130 AromaticContact ND1-CD1 3.83Å; H111-W130 AromaticContact ND1-NE1 3.7Å; A114-W130 HydrophobicContact CB-CD2 3.88Å; A114-W130 VanDerWaalsContact CB-CE2 3.4Å; A114-W130 HydrophobicContact CB-CG 4.06Å; A114-W130 HydrophobicContact CB-CZ2 3.83Å; A114-W130 VanDerWaalsContact CB-NE1 3.33Å; F118-W130 HydrophobicContact CB-CH2 4.15Å; F118-W130 AromaticContact CD2-CH2 3.76Å; F118-W130 HydrophobicContact CD2-CH2 3.76Å; F118-W130 HydrophobicContact CD2-CZ3 4.06Å; F118-W130 HydrophobicContact CG-CH2 4.19Å; A126-W130 HydrophobicContact CB-CE3 4.26Å; A126-W130 HydrophobicContact CB-CH2 4.04Å; A126-W130 HydrophobicContact CB-CZ3 3.76Å; A126-W130 PolarHBondContact O-N 3.3Å; C127-W130 PolarHBondContact O-N 3.4Å; C127-W130 VanDerWaalsContact O-N 3.16Å; W130-E132 VanDerWaalsContact C-N 3.33Å; W130-I133 WeakPolarHBondContact O-CB 3.28Å; W130-I133 PolarHBondContact O-N 3.17Å; W130-L134 WeakPolarHBondContact O-CG 3.39Å; W130-L134 PolarHBondContact O-N 3.16Å; W130-A143 HydrophobicContact CB-CB 4.32Å; W130-F146 HydrophobicContact CD2-CB 3.88Å; W130-F146 AromaticContact CE2-CD2 3.87Å; W130-F146 HydrophobicContact CE3-CB 4.09Å; W130-F146 HydrophobicContact CH2-CB 3.85Å; W130-F146 HydrophobicContact CH2-CD2 4.44Å; W130-F146 HydrophobicContact CH2-CG 4.49Å; W130-F146 HydrophobicContact CZ2-CB 3.6Å; W130-F146 AromaticContact CZ2-CD2 3.61Å; W130-F146 HydrophobicContact CZ2-CD2 3.61Å; W130-F146 HydrophobicContact CZ2-CG 4.01Å; W130-F146 HydrophobicContact CZ3-CB 4.09Å; W130-F146 AromaticContact NE1-CD2 3.93Å; W130-A147 HydrophobicContact CB-CB 3.96Å; W130-A147 HydrophobicContact CE3-CB 4.32Å; W130-A150 HydrophobicContact CZ3-CB 3.89Å
131	E	98.8	Very high	98.6	Very high	25 Å²	25	35.9 Å²	35.9	12%	0.117	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-37.6	173.2	-69.7	-69.6	164.8	0	0	111.8	C127 E128 I133 L134 L135 Y151 S163	C127-E131 WeakPolarHBondContact O-CB 3.03Å; C127-E131 VanDerWaalsContact O-CG 3.27Å; C127-E131 WeakPolarHBondContact O-CG 3.48Å; C127-E131 PolarHBondContact O-N 3.14Å; E128-E131 PolarHBondContact O-N 3.35Å; E131-I133 VanDerWaalsContact C-N 3.26Å; E131-I133 PolarHBondContact O-N 3.23Å; E131-L134 PolarHBondContact O-N 3.32Å; E131-L135 WeakPolarHBondContact O-CG 3.35Å; E131-L135 PolarHBondContact O-N 2.95Å; E131-Y151 VanDerWaalsContact CD-OH 3.3Å; E131-Y151 WeakPolarHBondContact CG-OH 3.33Å; E131-Y151 VanDerWaalsContact OE1-CE2 3.31Å; E131-Y151 WeakPolarHBondContact OE1-CE2 3.45Å; E131-Y151 PolarHBondContact OE1-OH 2.94Å; E131-S163 WeakPolarHBondContact OE1-CB 3.4Å; E131-S163 PolarHBondContact OE1-OG 3.14Å
132	E	98.8	Very high	98.6	Very high	90 Å²	90	35.7 Å²	35.7	42%	0.421	18%	0.181	S	C	.	.	H	α-helix	trans	-56.5	-42.5	172	-173	-178.3	165.2	0	0	111	L110 E128 V129 W130 L134 L135	L110-E132 HydrophobicContact CD1-CG 4.06Å; E128-E132 PolarHBondContact O-N 3.37Å; V129-E132 WeakPolarHBondContact O-CB 3.36Å; V129-E132 PolarHBondContact O-N 2.88Å; W130-E132 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 3.34Å; E132-L135 PolarHBondContact O-N 3.49Å
133	I	98.9	Very high	98.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-45.1	173.4	-63.8	168.9	0	0	0	110.9	R107 L110 H111 V129 W130 E131 L135 D136 H137 D140 A143	R107-I133 HydrophobicContact CG-CG2 3.94Å; L110-I133 HydrophobicContact CB-CD1 3.69Å; L110-I133 HydrophobicContact CB-CG1 3.58Å; L110-I133 HydrophobicContact CD1-CG1 3.81Å; L110-I133 HydrophobicContact CG-CG1 4.36Å; H111-I133 HydrophobicContact CB-CD1 4.35Å; V129-I133 PolarHBondContact O-N 3.44Å; W130-I133 WeakPolarHBondContact O-CB 3.28Å; W130-I133 PolarHBondContact O-N 3.17Å; E131-I133 VanDerWaalsContact C-N 3.26Å; E131-I133 PolarHBondContact O-N 3.23Å; I133-L135 PolarHBondContact O-N 3.21Å; I133-D136 PolarHBondContact O-N 2.84Å; I133-H137 HydrophobicContact CG2-CB 4.21Å; I133-H137 WeakPolarHBondContact O-CA 3.46Å; I133-H137 WeakPolarHBondContact O-CB 3.46Å; I133-H137 PolarHBondContact O-N 3.26Å; I133-D140 HydrophobicContact CG2-CB 4Å; I133-A143 HydrophobicContact CB-CB 4.1Å; I133-A143 HydrophobicContact CD1-CB 4.34Å; I133-A143 HydrophobicContact CG2-CB 3.83Å
134	L	98.8	Very high	98.7	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-69.5	-18.7	-176.2	-64.3	171.2	0	0	0	113.6	W130 E131 E132 P138 D140 A143 L144 V167	W130-L134 WeakPolarHBondContact O-CG 3.39Å; W130-L134 PolarHBondContact O-N 3.16Å; E131-L134 PolarHBondContact O-N 3.32Å; E132-L134 PolarHBondContact O-N 3.34Å; L134-P138 WeakPolarHBondContact O-CA 3.27Å; L134-D140 HydrophobicContact CD2-CB 4.49Å; L134-A143 HydrophobicContact CD2-CB 3.97Å; L134-A143 HydrophobicContact CG-CB 4.14Å; L134-L144 HydrophobicContact CD1-CB 4.32Å; L134-L144 HydrophobicContact CD1-CD1 3.96Å; L134-L144 HydrophobicContact CD2-CB 4.01Å; L134-V167 HydrophobicContact CB-CG1 4.14Å; L134-V167 HydrophobicContact CD2-CG1 4.27Å
135	L	98.1	Very high	98.7	Very high	115 Å²	115	33.3 Å²	33.3	60%	0.602	17%	0.166	S	C	*	.	H	α-helix	trans	-66.4	-44.8	171.8	-68.8	176.5	0	0	0	111.8	E131 E132 I133	E131-L135 WeakPolarHBondContact O-CG 3.35Å; E131-L135 PolarHBondContact O-N 2.95Å; E132-L135 PolarHBondContact O-N 3.49Å; I133-L135 PolarHBondContact O-N 3.21Å
136	D	97.9	Very high	98.7	Very high	126 Å²	126	29.3 Å²	29.3	67%	0.674	15%	0.149	S	C	*	.	H	α-helix	trans	-91.1	-28.9	-178.3	-68.8	-30.7	0	0	0	112.4	I133	I133-D136 PolarHBondContact O-N 2.84Å
137	H	98.4	Very high	98.7	Very high	52 Å²	52	29.3 Å²	29.3	24%	0.241	15%	0.149	C	C	.	.			trans	-130.6	67.9	-174.5	-58.4	-75.5	0	0	0	111	L17 I133 T139 D140	L17-H137 HydrophobicContact CD2-CB 3.84Å; I133-H137 HydrophobicContact CG2-CB 4.21Å; I133-H137 WeakPolarHBondContact O-CA 3.46Å; I133-H137 WeakPolarHBondContact O-CB 3.46Å; I133-H137 PolarHBondContact O-N 3.26Å; H137-T139 PolarHBondContact O-N 3.4Å; H137-D140 HydrophobicContact CB-CB 4.19Å; H137-D140 WeakPolarHBondContact O-CB 3.41Å; H137-D140 PolarHBondContact O-N 2.92Å
138	P	98.5	Very high	98.7	Very high	22 Å²	22	29.3 Å²	29.3	14%	0.143	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.2	-175.5	26.1	-36	0	0	0	113.7	L134 V167 H170 W171	L134-P138 WeakPolarHBondContact O-CA 3.27Å; P138-V167 HydrophobicContact CB-CB 4.08Å; P138-V167 HydrophobicContact CB-CG1 3.95Å; P138-V167 WeakPolarHBondContact O-CB 3.47Å; P138-H170 HydrophobicContact CB-CB 3.79Å; P138-H170 HydrophobicContact CG-CB 3.6Å; P138-H170 VanDerWaalsContact CG-CG 3.45Å; P138-W171 PolarHBondContact O-NE1 3.03Å
139	T	98.3	Very high	98.6	Very high	27 Å²	27	23.6 Å²	23.6	17%	0.166	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	6.5	176	53.6	0	0	0	0	114.2	H137 M141 W171	H137-T139 PolarHBondContact O-N 3.4Å; T139-M141 PolarHBondContact O-N 3.09Å; T139-W171 VanDerWaalsContact C-CZ2 3.45Å; T139-W171 HydrophobicContact CG2-CD2 4.25Å; T139-W171 HydrophobicContact CG2-CG 4.41Å; T139-W171 WeakPolarHBondContact O-CH2 3.43Å; T139-W171 WeakPolarHBondContact O-CZ2 3.44Å
140	D	98.7	Very high	98.6	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.016	12%	0.12	C	C	.	.			trans	-74.3	93.2	174.5	-164.1	-54.6	0	0	0	110.8	L17 R107 H111 I133 L134 H137 L142 A143 L144	L17-D140 HydrophobicContact CD2-CB 4.18Å; R107-D140 WeakPolarHBondContact CD-OD2 3.34Å; R107-D140 IonicContact CZ-OD2 3.86Å; R107-D140 IonicContact NE-OD2 3.36Å; R107-D140 IonicContact NH1-OD2 3.44Å; R107-D140 PolarHBondContact NH1-OD2 2.6Å; H111-D140 IonicContact CE1-OD1 3.42Å; H111-D140 IonicContact NE2-OD1 2.72Å; H111-D140 PolarHBondContact NE2-OD1 3.45Å; H111-D140 IonicContact NE2-OD2 3.86Å; H111-D140 PolarHBondContact NE2-OD2 3.19Å; I133-D140 HydrophobicContact CG2-CB 4Å; L134-D140 HydrophobicContact CD2-CB 4.49Å; H137-D140 HydrophobicContact CB-CB 4.19Å; H137-D140 WeakPolarHBondContact O-CB 3.41Å; H137-D140 PolarHBondContact O-N 2.92Å; D140-L142 VanDerWaalsContact C-N 3.28Å; D140-L142 PolarHBondContact O-N 3.21Å; D140-L142 PolarHBondContact OD1-N 2.62Å; D140-A143 HydrophobicContact CB-CB 4.16Å; D140-A143 PolarHBondContact O-N 3.45Å; D140-A143 PolarHBondContact OD1-N 2.81Å; D140-L144 PolarHBondContact O-N 2.9Å; D140-L144 VanDerWaalsContact O-N 3.12Å
141	M	98.6	Very high	98.6	Very high	7 Å²	7	24 Å²	24	3%	0.034	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-35.7	-178.9	-178.9	59.6	74.7	0	0	113.1	L34 V38 T139 L144 K145 W171 L177 L181	L34-M141 HydrophobicContact CD1-CB 4.28Å; L34-M141 HydrophobicContact CD1-CG 3.96Å; L34-M141 HydrophobicContact CD2-CB 4.19Å; L34-M141 HydrophobicContact CG-CG 4.37Å; V38-M141 HydrophobicContact CG1-CE 4.39Å; V38-M141 HydrophobicContact CG1-SD 4.33Å; V38-M141 HydrophobicContact CG2-CG 3.48Å; V38-M141 VanDerWaalsContact CG2-CG 3.48Å; V38-M141 HydrophobicContact CG2-SD 3.8Å; T139-M141 PolarHBondContact O-N 3.09Å; M141-L144 PolarHBondContact O-N 2.78Å; M141-K145 VanDerWaalsContact O-CB 3.25Å; M141-K145 WeakPolarHBondContact O-CB 3.42Å; M141-K145 PolarHBondContact O-N 3.45Å; M141-W171 HydrophobicContact CB-CH2 3.93Å; M141-W171 HydrophobicContact CE-CH2 3.56Å; M141-W171 HydrophobicContact CE-CZ2 4.26Å; M141-W171 HydrophobicContact CE-CZ3 3.81Å; M141-L177 HydrophobicContact CE-CB 3.64Å; M141-L177 HydrophobicContact CE-CD1 4.42Å; M141-L177 HydrophobicContact CG-CD1 4.15Å; M141-L181 HydrophobicContact CE-CD1 3.32Å; M141-L181 HydrophobicContact SD-CD1 4.42Å
142	L	98.8	Very high	98.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.8	-44.5	-176.9	-175.9	64.8	0	0	0	110	Y30 L34 M65 V68 I69 D140 L144 K145 F146	Y30-L142 HydrophobicContact CE2-CD2 4.15Å; Y30-L142 VanDerWaalsContact OH-CD2 3.27Å; Y30-L142 WeakPolarHBondContact OH-CD2 3.08Å; L34-L142 HydrophobicContact CD1-CB 4.01Å; L34-L142 HydrophobicContact CD1-CD1 4.04Å; M65-L142 HydrophobicContact CE-CD2 3.78Å; V68-L142 HydrophobicContact CG1-CD2 4.07Å; I69-L142 HydrophobicContact CB-CD2 4.2Å; I69-L142 HydrophobicContact CD1-CD1 4.03Å; I69-L142 HydrophobicContact CD1-CD2 4.44Å; I69-L142 HydrophobicContact CG1-CD1 3.96Å; I69-L142 HydrophobicContact CG1-CD2 4.3Å; D140-L142 VanDerWaalsContact C-N 3.28Å; D140-L142 PolarHBondContact O-N 3.21Å; D140-L142 PolarHBondContact OD1-N 2.62Å; L142-L144 VanDerWaalsContact C-N 3.35Å; L142-K145 PolarHBondContact O-N 2.99Å; L142-F146 HydrophobicContact CD1-CD1 4.02Å; L142-F146 HydrophobicContact CD1-CD2 4.09Å; L142-F146 HydrophobicContact CD1-CE1 3.65Å; L142-F146 HydrophobicContact CD1-CE2 3.72Å; L142-F146 HydrophobicContact CD1-CG 4.25Å; L142-F146 HydrophobicContact CD1-CZ 3.5Å; L142-F146 HydrophobicContact CD2-CE2 4.24Å; L142-F146 HydrophobicContact CG-CD2 4.1Å; L142-F146 HydrophobicContact CG-CE2 3.97Å; L142-F146 HydrophobicContact CG-CZ 4.28Å; L142-F146 WeakPolarHBondContact O-CB 3.35Å; L142-F146 PolarHBondContact O-N 2.86Å
143	A	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-46	176.6	0	0	0	0	0	110.8	H111 W130 I133 L134 D140 K145 A147	H111-A143 PolarHBondContact CE1-N 2.97Å; W130-A143 HydrophobicContact CB-CB 4.32Å; I133-A143 HydrophobicContact CB-CB 4.1Å; I133-A143 HydrophobicContact CD1-CB 4.34Å; I133-A143 HydrophobicContact CG2-CB 3.83Å; L134-A143 HydrophobicContact CD2-CB 3.97Å; L134-A143 HydrophobicContact CG-CB 4.14Å; D140-A143 HydrophobicContact CB-CB 4.16Å; D140-A143 PolarHBondContact O-N 3.45Å; D140-A143 PolarHBondContact OD1-N 2.81Å; A143-K145 PolarHBondContact O-N 3.42Å; A143-A147 VanDerWaalsContact O-CB 3.25Å; A143-A147 WeakPolarHBondContact O-CB 3.25Å; A143-A147 PolarHBondContact O-N 2.99Å
144	L	98.9	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.6	-47.7	178	-175.7	65.8	0	0	0	111.7	L134 D140 M141 L142 H148 V164 V167 L181	L134-L144 HydrophobicContact CD1-CB 4.32Å; L134-L144 HydrophobicContact CD1-CD1 3.96Å; L134-L144 HydrophobicContact CD2-CB 4.01Å; D140-L144 PolarHBondContact O-N 2.9Å; D140-L144 VanDerWaalsContact O-N 3.12Å; M141-L144 PolarHBondContact O-N 2.78Å; L142-L144 VanDerWaalsContact C-N 3.35Å; L144-H148 VanDerWaalsContact O-CB 3.24Å; L144-H148 WeakPolarHBondContact O-CB 3.49Å; L144-H148 PolarHBondContact O-N 3.06Å; L144-V164 HydrophobicContact CD1-CG2 4.16Å; L144-V167 HydrophobicContact CD1-CG2 3.89Å; L144-V167 HydrophobicContact CD2-CG2 3.85Å; L144-L181 HydrophobicContact CD2-CD2 4.09Å; L144-L181 HydrophobicContact CD2-CG 4.05Å
145	K	98.6	Very high	98.5	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-70.9	-40.8	-175.3	-170.1	64.2	175.5	69.3	0	112.2	Y37 M141 L142 A143 H148 D149	Y37-K145 HydrophobicContact CD1-CG 3.95Å; Y37-K145 HydrophobicContact CE1-CB 3.93Å; Y37-K145 HydrophobicContact CE1-CG 3.26Å; Y37-K145 HydrophobicContact CE2-CG 4.34Å; M141-K145 VanDerWaalsContact O-CB 3.25Å; M141-K145 WeakPolarHBondContact O-CB 3.42Å; M141-K145 PolarHBondContact O-N 3.45Å; L142-K145 PolarHBondContact O-N 2.99Å; A143-K145 PolarHBondContact O-N 3.42Å; K145-H148 PolarHBondContact O-N 3.27Å; K145-D149 IonicContact NZ-OD1 3.75Å; K145-D149 PolarHBondContact NZ-OD1 3.33Å; K145-D149 IonicContact NZ-OD2 2.72Å; K145-D149 PolarHBondContact NZ-OD2 2.95Å; K145-D149 PolarHBondContact O-N 3.05Å
146	F	98.9	Very high	98.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.5	-41.4	174.7	-77	-2.9	0	0	0	112.3	Y37 L73 I76 W130 L142 A150	Y37-F146 HydrophobicContact CD1-CE1 4.43Å; Y37-F146 AromaticContact CE1-CD1 3.72Å; Y37-F146 HydrophobicContact CE1-CD1 3.72Å; Y37-F146 AromaticContact CE1-CE1 3.54Å; Y37-F146 HydrophobicContact CE1-CE1 3.54Å; Y37-F146 AromaticContact CZ-CD1 3.98Å; Y37-F146 AromaticContact CZ-CE1 3.91Å; Y37-F146 WeakPolarHBondContact OH-CD1 3.49Å; L73-F146 HydrophobicContact CD2-CE1 4.05Å; L73-F146 HydrophobicContact CG-CE1 4.39Å; L73-F146 HydrophobicContact CG-CZ 4.38Å; I76-F146 HydrophobicContact CD1-CD1 4.47Å; I76-F146 HydrophobicContact CG1-CD1 3.93Å; I76-F146 HydrophobicContact CG1-CE1 4.07Å; I76-F146 HydrophobicContact CG1-CG 4.37Å; W130-F146 HydrophobicContact CD2-CB 3.88Å; W130-F146 AromaticContact CE2-CD2 3.87Å; W130-F146 HydrophobicContact CE3-CB 4.09Å; W130-F146 HydrophobicContact CH2-CB 3.85Å; W130-F146 HydrophobicContact CH2-CD2 4.44Å; W130-F146 HydrophobicContact CH2-CG 4.49Å; W130-F146 HydrophobicContact CZ2-CB 3.6Å; W130-F146 AromaticContact CZ2-CD2 3.61Å; W130-F146 HydrophobicContact CZ2-CD2 3.61Å; W130-F146 HydrophobicContact CZ2-CG 4.01Å; W130-F146 HydrophobicContact CZ3-CB 4.09Å; W130-F146 AromaticContact NE1-CD2 3.93Å; L142-F146 HydrophobicContact CD1-CD1 4.02Å; L142-F146 HydrophobicContact CD1-CD2 4.09Å; L142-F146 HydrophobicContact CD1-CE1 3.65Å; L142-F146 HydrophobicContact CD1-CE2 3.72Å; L142-F146 HydrophobicContact CD1-CG 4.25Å; L142-F146 HydrophobicContact CD1-CZ 3.5Å; L142-F146 HydrophobicContact CD2-CE2 4.24Å; L142-F146 HydrophobicContact CG-CD2 4.1Å; L142-F146 HydrophobicContact CG-CE2 3.97Å; L142-F146 HydrophobicContact CG-CZ 4.28Å; L142-F146 WeakPolarHBondContact O-CB 3.35Å; L142-F146 PolarHBondContact O-N 2.86Å; F146-A150 VanDerWaalsContact O-CB 3.27Å; F146-A150 WeakPolarHBondContact O-CB 3.47Å; F146-A150 PolarHBondContact O-N 3.02Å
147	A	98.8	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61	-46.2	172.8	0	0	0	0	0	111.2	W130 A143 D149 A150 Y151	W130-A147 HydrophobicContact CB-CB 3.96Å; W130-A147 HydrophobicContact CE3-CB 4.32Å; A143-A147 VanDerWaalsContact O-CB 3.25Å; A143-A147 WeakPolarHBondContact O-CB 3.25Å; A143-A147 PolarHBondContact O-N 2.99Å; A147-D149 PolarHBondContact O-N 3.38Å; A147-A150 PolarHBondContact O-N 3.41Å; A147-Y151 HydrophobicContact CB-CD2 4.41Å; A147-Y151 HydrophobicContact CB-CE2 3.99Å; A147-Y151 WeakPolarHBondContact O-CD2 3.4Å; A147-Y151 VanDerWaalsContact O-CG 3.29Å; A147-Y151 PolarHBondContact O-N 2.91Å
148	H	98.6	Very high	98.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	9%	0.085	C	C	.	.	H	α-helix	trans	-57.6	-48.6	178.6	-174	-74.1	0	0	0	112.4	L144 K145 Y151 F152 M160 F187	L144-H148 VanDerWaalsContact O-CB 3.24Å; L144-H148 WeakPolarHBondContact O-CB 3.49Å; L144-H148 PolarHBondContact O-N 3.06Å; K145-H148 PolarHBondContact O-N 3.27Å; H148-Y151 PolarHBondContact O-N 2.99Å; H148-F152 PolarHBondContact O-N 3.1Å; H148-F152 VanDerWaalsContact O-N 3.09Å; H148-M160 VanDerWaalsContact CD2-CG 3.49Å; H148-M160 WeakPolarHBondContact CD2-CG 3.2Å; H148-M160 VanDerWaalsContact CE1-SD 3.58Å; H148-M160 WeakPolarHBondContact NE2-CG 3.41Å; H148-F187 AromaticContact CE1-CD1 3.84Å
149	D	98.5	Very high	98.5	Very high	9 Å²	9	19.7 Å²	19.7	5%	0.048	10%	0.1	C	C	.	.	H	α-helix	trans	-67.4	-38.3	179.1	-69.7	0.2	0	0	0	111.6	Y37 I76 K145 A147 F152 Y153	Y37-D149 PolarHBondContact OH-OD2 3.34Å; I76-D149 HydrophobicContact CD1-CB 4.3Å; I76-D149 HydrophobicContact CG2-CB 4.01Å; K145-D149 IonicContact NZ-OD1 3.75Å; K145-D149 PolarHBondContact NZ-OD1 3.33Å; K145-D149 IonicContact NZ-OD2 2.72Å; K145-D149 PolarHBondContact NZ-OD2 2.95Å; K145-D149 PolarHBondContact O-N 3.05Å; A147-D149 PolarHBondContact O-N 3.38Å; D149-F152 WeakPolarHBondContact O-CB 3.35Å; D149-F152 PolarHBondContact O-N 3.23Å; D149-Y153 HydrophobicContact CB-CE2 4.46Å; D149-Y153 VanDerWaalsContact O-CD2 3.28Å; D149-Y153 WeakPolarHBondContact O-CD2 3.44Å; D149-Y153 PolarHBondContact O-N 3.28Å; D149-Y153 VanDerWaalsContact O-N 3.13Å
150	A	98.6	Very high	98.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.8	-39.8	174.7	0	0	0	0	0	112.5	F118 C127 W130 F146 A147 F152 Y153 M154	F118-A150 HydrophobicContact CD2-CB 4.33Å; F118-A150 HydrophobicContact CE2-CB 3.87Å; C127-A150 WeakPolarHBondContact SG-CB 3.36Å; W130-A150 HydrophobicContact CZ3-CB 3.89Å; F146-A150 VanDerWaalsContact O-CB 3.27Å; F146-A150 WeakPolarHBondContact O-CB 3.47Å; F146-A150 PolarHBondContact O-N 3.02Å; A147-A150 PolarHBondContact O-N 3.41Å; A150-F152 VanDerWaalsContact C-N 3.28Å; A150-F152 PolarHBondContact O-N 3.34Å; A150-Y153 PolarHBondContact O-N 2.95Å; A150-M154 WeakPolarHBondContact O-CG 3.41Å; A150-M154 PolarHBondContact O-N 3.42Å
151	Y	98.8	Very high	98.5	Very high	20 Å²	20	20.4 Å²	20.4	8%	0.078	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-37.6	173.1	-69.8	-49.2	0	0	0	112.1	C127 E131 A147 H148 M154 G155 A156 Q159 M160	C127-Y151 HydrophobicContact CB-CD1 4.37Å; C127-Y151 HydrophobicContact CB-CE1 3.66Å; E131-Y151 VanDerWaalsContact CD-OH 3.3Å; E131-Y151 WeakPolarHBondContact CG-OH 3.33Å; E131-Y151 VanDerWaalsContact OE1-CE2 3.31Å; E131-Y151 WeakPolarHBondContact OE1-CE2 3.45Å; E131-Y151 PolarHBondContact OE1-OH 2.94Å; A147-Y151 HydrophobicContact CB-CD2 4.41Å; A147-Y151 HydrophobicContact CB-CE2 3.99Å; A147-Y151 WeakPolarHBondContact O-CD2 3.4Å; A147-Y151 VanDerWaalsContact O-CG 3.29Å; A147-Y151 PolarHBondContact O-N 2.91Å; H148-Y151 PolarHBondContact O-N 2.99Å; Y151-M154 HydrophobicContact CD1-CE 3.59Å; Y151-M154 HydrophobicContact CE1-CE 4.16Å; Y151-M154 HydrophobicContact CG-CE 4.48Å; Y151-M154 PolarHBondContact O-N 3.46Å; Y151-G155 PolarHBondContact O-N 3.11Å; Y151-A156 HydrophobicContact CD1-CB 3.66Å; Y151-A156 HydrophobicContact CG-CB 4.26Å; Y151-A156 PolarHBondContact O-N 3.39Å; Y151-Q159 HydrophobicContact CD1-CB 3.68Å; Y151-Q159 HydrophobicContact CD2-CB 4.35Å; Y151-Q159 HydrophobicContact CE1-CB 3.46Å; Y151-Q159 VanDerWaalsContact CE1-CB 3.46Å; Y151-Q159 HydrophobicContact CE1-CG 4.13Å; Y151-Q159 HydrophobicContact CE2-CB 4.16Å; Y151-Q159 HydrophobicContact CG-CB 4.14Å; Y151-M160 HydrophobicContact CD2-CB 4.34Å; Y151-M160 HydrophobicContact CG-CB 4.37Å
152	F	98.5	Very high	98.5	Very high	34 Å²	34	22.8 Å²	22.8	15%	0.149	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-42.3	174.1	176.2	-97.8	0	0	0	112.2	H148 D149 A150 M154 G155 M160 F187 G408 G409	H148-F152 PolarHBondContact O-N 3.1Å; H148-F152 VanDerWaalsContact O-N 3.09Å; D149-F152 WeakPolarHBondContact O-CB 3.35Å; D149-F152 PolarHBondContact O-N 3.23Å; A150-F152 VanDerWaalsContact C-N 3.28Å; A150-F152 PolarHBondContact O-N 3.34Å; F152-M154 PolarHBondContact O-N 3.48Å; F152-G155 PolarHBondContact O-N 3.22Å; F152-M160 HydrophobicContact CB-SD 4.17Å; F152-F187 AromaticContact CD2-CE1 3.93Å; F152-F187 HydrophobicContact CD2-CE1 3.93Å; F152-F187 HydrophobicContact CD2-CZ 4.15Å; F152-F187 HydrophobicContact CE2-CE1 4.26Å; F152-F187 HydrophobicContact CE2-CZ 4Å; F152-G408 WeakPolarHBondContact O-CA 3.43Å; F152-G409 WeakPolarHBondContact CE2-O 3.44Å; F152-G409 VanDerWaalsContact CZ-CA 3.44Å; F152-G409 PolarHBondContact O-N 3.07Å
153	Y	98.3	Very high	98.5	Very high	38 Å²	38	22.9 Å²	22.9	15%	0.149	11%	0.113	C	C	.	.	H	α-helix	trans	-67.3	-21.2	176.1	-57	-34.1	0	0	0	114.3	I76 T78 F118 D149 A150 Q367 G408	I76-Y153 HydrophobicContact CD1-CE2 4.31Å; I76-Y153 HydrophobicContact CG2-CE2 4.44Å; I76-Y153 PolarHBondContact O-OH 2.89Å; T78-Y153 HydrophobicContact CG2-CD2 4.4Å; T78-Y153 HydrophobicContact CG2-CE1 4.45Å; T78-Y153 HydrophobicContact CG2-CE2 3.92Å; F118-Y153 HydrophobicContact CE2-CD2 4.39Å; F118-Y153 HydrophobicContact CZ-CD2 4.06Å; F118-Y153 HydrophobicContact CZ-CE2 4.18Å; D149-Y153 HydrophobicContact CB-CE2 4.46Å; D149-Y153 VanDerWaalsContact O-CD2 3.28Å; D149-Y153 WeakPolarHBondContact O-CD2 3.44Å; D149-Y153 PolarHBondContact O-N 3.28Å; D149-Y153 VanDerWaalsContact O-N 3.13Å; A150-Y153 PolarHBondContact O-N 2.95Å; Y153-Q367 PolarHBondContact O-NE2 3.25Å; Y153-G408 WeakPolarHBondContact O-CA 3.49Å
154	M	97.5	Very high	98.5	Very high	17 Å²	17	22.9 Å²	22.9	8%	0.084	11%	0.113	C	C	.	.	H	α-helix	trans	-96.1	-9.9	177.8	-63.5	-172.1	-72.2	0	0	113.7	F123 P124 C127 A150 Y151 F152 A156 Q366	F123-M154 HydrophobicContact CB-CE 4.4Å; F123-M154 HydrophobicContact CB-CG 3.95Å; F123-M154 HydrophobicContact CB-SD 3.64Å; F123-M154 HydrophobicContact CD2-CG 4.22Å; P124-M154 HydrophobicContact CB-SD 4.29Å; P124-M154 HydrophobicContact CG-SD 3.72Å; C127-M154 HydrophobicContact CB-CE 4.35Å; C127-M154 WeakPolarHBondContact SG-CE 3.14Å; A150-M154 WeakPolarHBondContact O-CG 3.41Å; A150-M154 PolarHBondContact O-N 3.42Å; Y151-M154 HydrophobicContact CD1-CE 3.59Å; Y151-M154 HydrophobicContact CE1-CE 4.16Å; Y151-M154 HydrophobicContact CG-CE 4.48Å; Y151-M154 PolarHBondContact O-N 3.46Å; F152-M154 PolarHBondContact O-N 3.48Å; M154-A156 HydrophobicContact CB-CB 4.15Å; M154-A156 HydrophobicContact CE-CB 4.42Å; M154-A156 PolarHBondContact O-N 3.39Å; M154-Q366 PolarHBondContact SD-OE1 2.95Å
155	G	97.6	Very high	98.5	Very high	12 Å²	12	24.4 Å²	24.4	12%	0.124	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	22.5	-168.3	0	0	0	0	0	113.4	Y151 F152 Q157 V405	Y151-G155 PolarHBondContact O-N 3.11Å; F152-G155 PolarHBondContact O-N 3.22Å; G155-Q157 PolarHBondContact O-N 3.01Å; G155-V405 WeakPolarHBondContact CA-O 3.2Å; G155-V405 WeakPolarHBondContact O-CG2 3.33Å
156	A	98.4	Very high	98.5	Very high	15 Å²	15	31 Å²	31	12%	0.124	15%	0.15	C	C	.	.			trans	-80.7	60.1	-178.3	0	0	0	0	0	111.3	Y151 M154 I158 Q159 M160	Y151-A156 HydrophobicContact CD1-CB 3.66Å; Y151-A156 HydrophobicContact CG-CB 4.26Å; Y151-A156 PolarHBondContact O-N 3.39Å; M154-A156 HydrophobicContact CB-CB 4.15Å; M154-A156 HydrophobicContact CE-CB 4.42Å; M154-A156 PolarHBondContact O-N 3.39Å; A156-I158 VanDerWaalsContact C-N 3.33Å; A156-I158 PolarHBondContact O-N 2.86Å; A156-Q159 HydrophobicContact CB-CB 4.27Å; A156-Q159 PolarHBondContact O-N 2.96Å; A156-Q159 PolarHBondContact O-OE1 3.29Å; A156-M160 WeakPolarHBondContact O-CB 3.43Å; A156-M160 PolarHBondContact O-N 3.33Å
157	Q	98.1	Very high	98.4	Very high	35 Å²	35	31 Å²	31	16%	0.164	15%	0.15	C	C	.	.	H	α-helix	trans	-59.3	-38.7	-169.7	-63.8	172	-50	0	0	113.2	G155 R161 E191 T192 D411	G155-Q157 PolarHBondContact O-N 3.01Å; Q157-R161 PolarHBondContact O-N 2.8Å; Q157-R161 VanDerWaalsContact O-N 3.09Å; Q157-E191 HydrophobicContact CB-CB 4.23Å; Q157-E191 HydrophobicContact CG-CB 4.01Å; Q157-E191 PolarHBondContact NE2-O 2.93Å; Q157-E191 VanDerWaalsContact NE2-O 3.14Å; Q157-E191 PolarHBondContact NE2-OE2 3.14Å; Q157-E191 PolarHBondContact OE1-O 3.39Å; Q157-T192 HydrophobicContact CB-CG2 4.02Å; Q157-D411 PolarHBondContact NE2-OD1 3.26Å; Q157-D411 VanDerWaalsContact NE2-OD1 3.09Å
158	I	98.5	Very high	98.3	Very high	96 Å²	96	33.4 Å²	33.4	49%	0.492	16%	0.163	S	C	.	.	H	α-helix	trans	-66.1	-47.2	179.2	-65.5	173.8	0	0	0	110.2	A156 R161 D162 T192	A156-I158 VanDerWaalsContact C-N 3.33Å; A156-I158 PolarHBondContact O-N 2.86Å; I158-R161 PolarHBondContact O-N 3.5Å; I158-D162 WeakPolarHBondContact CG2-OD2 3.39Å; I158-D162 WeakPolarHBondContact O-CB 3.47Å; I158-D162 VanDerWaalsContact O-CG 3.22Å; I158-D162 PolarHBondContact O-N 3.12Å; I158-T192 HydrophobicContact CG1-CG2 4.26Å
159	Q	98.6	Very high	98.3	Very high	96 Å²	96	38.5 Å²	38.5	45%	0.449	20%	0.196	S	C	.	.	H	α-helix	trans	-64.6	-42.1	179.1	-64.3	86	-26.7	0	0	111	Y151 A156 R161 D162 S163	Y151-Q159 HydrophobicContact CD1-CB 3.68Å; Y151-Q159 HydrophobicContact CD2-CB 4.35Å; Y151-Q159 HydrophobicContact CE1-CB 3.46Å; Y151-Q159 VanDerWaalsContact CE1-CB 3.46Å; Y151-Q159 HydrophobicContact CE1-CG 4.13Å; Y151-Q159 HydrophobicContact CE2-CB 4.16Å; Y151-Q159 HydrophobicContact CG-CB 4.14Å; A156-Q159 HydrophobicContact CB-CB 4.27Å; A156-Q159 PolarHBondContact O-N 2.96Å; A156-Q159 PolarHBondContact O-OE1 3.29Å; Q159-R161 VanDerWaalsContact C-N 3.34Å; Q159-R161 PolarHBondContact O-N 3.06Å; Q159-D162 PolarHBondContact O-N 3.03Å; Q159-S163 WeakPolarHBondContact O-CB 3.35Å; Q159-S163 PolarHBondContact O-N 3.2Å
160	M	98.6	Very high	98.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-55.2	-47.6	174.6	-171.6	170.7	64.3	0	0	111.8	H148 Y151 F152 A156 F187 E191	H148-M160 VanDerWaalsContact CD2-CG 3.49Å; H148-M160 WeakPolarHBondContact CD2-CG 3.2Å; H148-M160 VanDerWaalsContact CE1-SD 3.58Å; H148-M160 WeakPolarHBondContact NE2-CG 3.41Å; Y151-M160 HydrophobicContact CD2-CB 4.34Å; Y151-M160 HydrophobicContact CG-CB 4.37Å; F152-M160 HydrophobicContact CB-SD 4.17Å; A156-M160 WeakPolarHBondContact O-CB 3.43Å; A156-M160 PolarHBondContact O-N 3.33Å; M160-F187 HydrophobicContact CE-CD1 3.58Å; M160-F187 HydrophobicContact CE-CE1 3.5Å; M160-F187 HydrophobicContact SD-CD1 3.94Å; M160-F187 HydrophobicContact SD-CE1 3.91Å; M160-E191 HydrophobicContact CE-CB 3.88Å; M160-E191 HydrophobicContact CE-CG 3.85Å
161	R	98.7	Very high	98.1	Very high	44 Å²	44	44.7 Å²	44.7	17%	0.166	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-51.5	174.9	-177.7	-164	64	-149.4	-0.7	112	Q157 I158 Q159 S163 V164 A165 Y185 L189 T192 F194	Q157-R161 PolarHBondContact O-N 2.8Å; Q157-R161 VanDerWaalsContact O-N 3.09Å; I158-R161 PolarHBondContact O-N 3.5Å; Q159-R161 VanDerWaalsContact C-N 3.34Å; Q159-R161 PolarHBondContact O-N 3.06Å; R161-S163 VanDerWaalsContact C-N 3.32Å; R161-S163 PolarHBondContact O-N 3.19Å; R161-V164 PolarHBondContact O-N 2.86Å; R161-A165 WeakPolarHBondContact O-CB 3.47Å; R161-A165 PolarHBondContact O-N 3.44Å; R161-Y185 HydrophobicContact CG-CD2 4.44Å; R161-Y185 HydrophobicContact CG-CE2 3.96Å; R161-L189 HydrophobicContact CG-CD2 4.38Å; R161-T192 HydrophobicContact CB-CG2 4.42Å; R161-T192 WeakPolarHBondContact CD-OG1 3.25Å; R161-T192 PolarHBondContact NH1-OG1 3.26Å; R161-F194 VanDerWaalsContact NH1-CE2 3.29Å
162	D	98.8	Very high	97.9	Very high	58 Å²	58	49.5 Å²	49.5	31%	0.31	25%	0.245	S	C	.	.	H	α-helix	trans	-70.4	-30.7	-169.7	-70.1	-7.1	0	0	0	111.8	I158 Q159 A165 R166	I158-D162 WeakPolarHBondContact CG2-OD2 3.39Å; I158-D162 WeakPolarHBondContact O-CB 3.47Å; I158-D162 VanDerWaalsContact O-CG 3.22Å; I158-D162 PolarHBondContact O-N 3.12Å; Q159-D162 PolarHBondContact O-N 3.03Å; D162-A165 PolarHBondContact O-N 2.9Å; D162-R166 VanDerWaalsContact O-CB 3.25Å; D162-R166 WeakPolarHBondContact O-CB 3.47Å; D162-R166 PolarHBondContact O-N 2.75Å
163	S	98.6	Very high	97.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-52.4	173.7	-170.8	0	0	0	0	111.1	E131 Q159 R161 R166 V167	E131-S163 WeakPolarHBondContact OE1-CB 3.4Å; E131-S163 PolarHBondContact OE1-OG 3.14Å; Q159-S163 WeakPolarHBondContact O-CB 3.35Å; Q159-S163 PolarHBondContact O-N 3.2Å; R161-S163 VanDerWaalsContact C-N 3.32Å; R161-S163 PolarHBondContact O-N 3.19Å; S163-R166 PolarHBondContact O-N 3.04Å; S163-V167 PolarHBondContact O-N 3.05Å
164	V	98.6	Very high	97.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-42.9	177.6	-170.5	0	0	0	0	111.1	L144 R161 R166 V167 L168 Q184 Y185	L144-V164 HydrophobicContact CD1-CG2 4.16Å; R161-V164 PolarHBondContact O-N 2.86Å; V164-R166 VanDerWaalsContact C-N 3.26Å; V164-R166 PolarHBondContact O-N 3Å; V164-V167 WeakPolarHBondContact O-CG2 3.34Å; V164-V167 PolarHBondContact O-N 3.01Å; V164-L168 HydrophobicContact CG1-CD1 4.46Å; V164-L168 HydrophobicContact CG1-CG 4.25Å; V164-L168 VanDerWaalsContact O-CG 3.32Å; V164-L168 WeakPolarHBondContact O-CG 3.43Å; V164-L168 PolarHBondContact O-N 2.97Å; V164-L168 VanDerWaalsContact O-N 3.07Å; V164-Q184 HydrophobicContact CG1-CB 4.3Å; V164-Q184 HydrophobicContact CG2-CB 4.07Å; V164-Y185 HydrophobicContact CB-CD2 4.39Å; V164-Y185 HydrophobicContact CG1-CG 4.43Å
165	A	98.5	Very high	96.9	Very high	32 Å²	32	58.5 Å²	58.5	26%	0.264	30%	0.3	S	S	.	.	H	α-helix	trans	-57.1	-39.8	178.7	0	0	0	0	0	112.8	R161 D162 Y185	R161-A165 WeakPolarHBondContact O-CB 3.47Å; R161-A165 PolarHBondContact O-N 3.44Å; D162-A165 PolarHBondContact O-N 2.9Å; A165-Y185 HydrophobicContact CB-CD2 4.3Å; A165-Y185 HydrophobicContact CB-CE2 3.68Å
166	R	98.3	Very high	96.6	Very high	140 Å²	140	60 Å²	60	53%	0.528	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-41.4	-178.7	-172.8	-171	-46.7	-113.6	-2.3	112.1	D162 S163 V164	D162-R166 VanDerWaalsContact O-CB 3.25Å; D162-R166 WeakPolarHBondContact O-CB 3.47Å; D162-R166 PolarHBondContact O-N 2.75Å; S163-R166 PolarHBondContact O-N 3.04Å; V164-R166 VanDerWaalsContact C-N 3.26Å; V164-R166 PolarHBondContact O-N 3Å
167	V	98.4	Very high	96.5	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-84.2	-29.2	-175.3	-59.1	0	0	0	0	112.9	L134 P138 L144 S163 V164 P169 H170 W171 L181	L134-V167 HydrophobicContact CB-CG1 4.14Å; L134-V167 HydrophobicContact CD2-CG1 4.27Å; P138-V167 HydrophobicContact CB-CB 4.08Å; P138-V167 HydrophobicContact CB-CG1 3.95Å; P138-V167 WeakPolarHBondContact O-CB 3.47Å; L144-V167 HydrophobicContact CD1-CG2 3.89Å; L144-V167 HydrophobicContact CD2-CG2 3.85Å; S163-V167 PolarHBondContact O-N 3.05Å; V164-V167 WeakPolarHBondContact O-CG2 3.34Å; V164-V167 PolarHBondContact O-N 3.01Å; V167-P169 VanDerWaalsContact C-CD 3.4Å; V167-P169 VanDerWaalsContact C-N 3.34Å; V167-P169 VanDerWaalsContact O-N 3.07Å; V167-H170 WeakPolarHBondContact O-CB 3.46Å; V167-H170 PolarHBondContact O-CD2 2.87Å; V167-H170 PolarHBondContact O-N 3.31Å; V167-W171 VanDerWaalsContact O-CD1 3.26Å; V167-L181 HydrophobicContact CG2-CD2 4.18Å
168	L	96.8	Very high	96.3	Very high	50 Å²	50	59.7 Å²	59.7	26%	0.262	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-42.6	-46.2	-174.7	-90.7	173.6	0	0	0	115.5	V164 H170 W171 L181 Y185	V164-L168 HydrophobicContact CG1-CD1 4.46Å; V164-L168 HydrophobicContact CG1-CG 4.25Å; V164-L168 VanDerWaalsContact O-CG 3.32Å; V164-L168 WeakPolarHBondContact O-CG 3.43Å; V164-L168 PolarHBondContact O-N 2.97Å; V164-L168 VanDerWaalsContact O-N 3.07Å; L168-H170 PolarHBondContact O-N 3.46Å; L168-H170 VanDerWaalsContact O-N 3.12Å; L168-W171 PolarHBondContact O-N 3.5Å; L168-W171 VanDerWaalsContact O-N 3.12Å; L168-L181 HydrophobicContact CD2-CB 3.85Å; L168-L181 HydrophobicContact CD2-CD2 3.91Å; L168-L181 HydrophobicContact CG-CD2 4.46Å; L168-Y185 HydrophobicContact CD1-CD1 3.41Å; L168-Y185 VanDerWaalsContact CD1-CD1 3.41Å; L168-Y185 HydrophobicContact CD1-CD2 4.2Å; L168-Y185 HydrophobicContact CD1-CE1 3.9Å; L168-Y185 HydrophobicContact CD1-CG 3.59Å
169	P	96.9	Very high	96.2	Very high	109 Å²	109	56 Å²	56	71%	0.708	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-61.8	-19.3	179.8	-24.9	36	0	0	0	115.1	V167	V167-P169 VanDerWaalsContact C-CD 3.4Å; V167-P169 VanDerWaalsContact C-N 3.34Å; V167-P169 VanDerWaalsContact O-N 3.07Å
170	H	97.4	Very high	96.1	Very high	110 Å²	110	52 Å²	52	51%	0.509	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-86.9	-14.5	179.8	-60.6	-85.9	0	0	0	113.1	P138 V167 L168	P138-H170 HydrophobicContact CB-CB 3.79Å; P138-H170 HydrophobicContact CG-CB 3.6Å; P138-H170 VanDerWaalsContact CG-CG 3.45Å; V167-H170 WeakPolarHBondContact O-CB 3.46Å; V167-H170 PolarHBondContact O-CD2 2.87Å; V167-H170 PolarHBondContact O-N 3.31Å; L168-H170 PolarHBondContact O-N 3.46Å; L168-H170 VanDerWaalsContact O-N 3.12Å
171	W	96.9	Very high	96	Very high	29 Å²	29	52 Å²	52	11%	0.11	27%	0.27	C	S	.	.			trans	-87.3	122.2	-178.5	-71.3	74	0	0	0	111	P138 T139 M141 V167 L168 T175 L181	P138-W171 PolarHBondContact O-NE1 3.03Å; T139-W171 VanDerWaalsContact C-CZ2 3.45Å; T139-W171 HydrophobicContact CG2-CD2 4.25Å; T139-W171 HydrophobicContact CG2-CG 4.41Å; T139-W171 WeakPolarHBondContact O-CH2 3.43Å; T139-W171 WeakPolarHBondContact O-CZ2 3.44Å; M141-W171 HydrophobicContact CB-CH2 3.93Å; M141-W171 HydrophobicContact CE-CH2 3.56Å; M141-W171 HydrophobicContact CE-CZ2 4.26Å; M141-W171 HydrophobicContact CE-CZ3 3.81Å; V167-W171 VanDerWaalsContact O-CD1 3.26Å; L168-W171 PolarHBondContact O-N 3.5Å; L168-W171 VanDerWaalsContact O-N 3.12Å; W171-T175 HydrophobicContact CE3-CG2 3.56Å; W171-T175 HydrophobicContact CZ3-CG2 3.63Å; W171-L181 HydrophobicContact CB-CD2 4.3Å; W171-L181 VanDerWaalsContact CD1-CD2 3.42Å; W171-L181 HydrophobicContact CD2-CD1 3.78Å; W171-L181 HydrophobicContact CD2-CD2 3.58Å; W171-L181 HydrophobicContact CD2-CG 4.35Å; W171-L181 HydrophobicContact CE3-CD1 3.74Å; W171-L181 HydrophobicContact CE3-CD2 4.37Å; W171-L181 HydrophobicContact CG-CD1 4.46Å; W171-L181 HydrophobicContact CG-CD2 3.5Å; W171-L181 HydrophobicContact CH2-CD1 4.1Å; W171-L181 HydrophobicContact CZ2-CD1 4.08Å; W171-L181 HydrophobicContact CZ2-CD2 4.3Å; W171-L181 HydrophobicContact CZ3-CD1 3.91Å
172	K	93.9	Very high	96	Very high	122 Å²	122	52.4 Å²	52.4	53%	0.53	27%	0.273	S	S	.	.			trans	-90.3	153.9	177.2	-59.7	176.5	-171.8	165.9	0	109.9	H174 T175 S178	K172-H174 VanDerWaalsContact CD-CE1 3.44Å; K172-H174 WeakPolarHBondContact CD-CE1 3.36Å; K172-H174 PolarHBondContact O-N 3.45Å; K172-T175 PolarHBondContact N-OG1 3Å; K172-T175 VanDerWaalsContact O-CB 3.3Å; K172-T175 WeakPolarHBondContact O-CB 3.49Å; K172-T175 PolarHBondContact O-N 3.42Å; K172-T175 PolarHBondContact O-OG1 2.88Å; K172-S178 WeakPolarHBondContact O-CB 3.49Å; K172-S178 PolarHBondContact O-OG 3.03Å
173	P	91.5	Very high	95.9	Very high	126 Å²	126	49.7 Å²	49.7	82%	0.818	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.1	179	-27.8	35.3	0	0	0	115.2	S178	P173-S178 PolarHBondContact O-OG 3.23Å
174	H	89.4	Confident	95.9	Very high	140 Å²	140	49.8 Å²	49.8	65%	0.648	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.2	177.3	57.5	-92.6	0	0	0	113.7	K172	K172-H174 VanDerWaalsContact CD-CE1 3.44Å; K172-H174 WeakPolarHBondContact CD-CE1 3.36Å; K172-H174 PolarHBondContact O-N 3.45Å
175	T	92.8	Very high	95.9	Very high	11 Å²	11	51.7 Å²	51.7	7%	0.067	27%	0.266	C	S	.	.	S	Bend	trans	-61.3	128.2	174.3	-58.1	0	0	0	0	107.7	W171 K172 L177 S178	W171-T175 HydrophobicContact CE3-CG2 3.56Å; W171-T175 HydrophobicContact CZ3-CG2 3.63Å; K172-T175 PolarHBondContact N-OG1 3Å; K172-T175 VanDerWaalsContact O-CB 3.3Å; K172-T175 WeakPolarHBondContact O-CB 3.49Å; K172-T175 PolarHBondContact O-N 3.42Å; K172-T175 PolarHBondContact O-OG1 2.88Å; T175-L177 PolarHBondContact O-N 3.05Å; T175-S178 WeakPolarHBondContact O-CB 3.39Å; T175-S178 PolarHBondContact O-N 3.05Å; T175-S178 VanDerWaalsContact O-N 3.09Å; T175-S178 PolarHBondContact O-OG 3.22Å
176	P	92.1	Very high	95.9	Very high	45 Å²	45	50.2 Å²	50.2	29%	0.292	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	137	178.6	-29.3	36.3	0	0	0	111.3	S178	P176-S178 PolarHBondContact O-N 3.35Å
177	L	94.4	Very high	95.9	Very high	19 Å²	19	43.5 Å²	43.5	10%	0.099	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	6.2	179.3	-49.5	171.3	0	0	0	116	L34 T35 V38 M141 T175 S179 Y180	L34-L177 HydrophobicContact CG-CD1 4.34Å; T35-L177 HydrophobicContact CG2-CD2 4.18Å; V38-L177 HydrophobicContact CB-CD1 4.14Å; V38-L177 HydrophobicContact CG1-CB 4.31Å; V38-L177 HydrophobicContact CG1-CD1 4.26Å; V38-L177 HydrophobicContact CG1-CD2 4.32Å; V38-L177 HydrophobicContact CG2-CD1 4.08Å; M141-L177 HydrophobicContact CE-CB 3.64Å; M141-L177 HydrophobicContact CE-CD1 4.42Å; M141-L177 HydrophobicContact CG-CD1 4.15Å; T175-L177 PolarHBondContact O-N 3.05Å; L177-S179 PolarHBondContact O-N 3.14Å; L177-S179 VanDerWaalsContact O-N 3.14Å; L177-Y180 HydrophobicContact CB-CD2 4.24Å; L177-Y180 HydrophobicContact CD2-CD2 4.06Å; L177-Y180 HydrophobicContact CD2-CE2 4.11Å; L177-Y180 PolarHBondContact O-N 3.45Å
178	S	95.4	Very high	95.9	Very high	24 Å²	24	43.5 Å²	43.5	17%	0.168	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.4	-179.1	58.5	0	0	0	0	114.4	K172 P173 T175 P176 Y180 L181	K172-S178 WeakPolarHBondContact O-CB 3.49Å; K172-S178 PolarHBondContact O-OG 3.03Å; P173-S178 PolarHBondContact O-OG 3.23Å; T175-S178 WeakPolarHBondContact O-CB 3.39Å; T175-S178 PolarHBondContact O-N 3.05Å; T175-S178 VanDerWaalsContact O-N 3.09Å; T175-S178 PolarHBondContact O-OG 3.22Å; P176-S178 PolarHBondContact O-N 3.35Å; S178-Y180 VanDerWaalsContact C-N 3.29Å; S178-Y180 PolarHBondContact O-N 3.33Å; S178-L181 PolarHBondContact O-N 3.12Å
179	S	95.3	Very high	96	Very high	17 Å²	17	41.2 Å²	41.2	12%	0.119	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-36.4	177	60.7	0	0	0	0	112.9	L177 L181 K182 T209	L177-S179 PolarHBondContact O-N 3.14Å; L177-S179 VanDerWaalsContact O-N 3.14Å; S179-L181 PolarHBondContact O-N 3.37Å; S179-K182 WeakPolarHBondContact O-CB 3.5Å; S179-K182 PolarHBondContact O-N 2.91Å; S179-K182 VanDerWaalsContact O-N 3.13Å; S179-T209 WeakPolarHBondContact CB-OG1 3.25Å; S179-T209 PolarHBondContact OG-OG1 2.94Å
180	Y	96.9	Very high	96.1	Very high	14 Å²	14	36 Å²	36	6%	0.055	18%	0.183	C	C	.	.	H	α-helix	trans	-72.1	-16.4	-175.5	-66.4	-86.4	0	0	0	112.7	V38 K39 L177 S178 K182 G183 Q184 T209 D212	V38-Y180 HydrophobicContact CG1-CD1 4.34Å; V38-Y180 HydrophobicContact CG1-CD2 4.18Å; V38-Y180 HydrophobicContact CG1-CG 3.79Å; K39-Y180 VanDerWaalsContact CE-OH 3.27Å; K39-Y180 WeakPolarHBondContact CE-OH 3Å; K39-Y180 HydrophobicContact CG-CE1 3.93Å; K39-Y180 HydrophobicContact CG-CE2 4.08Å; K39-Y180 WeakPolarHBondContact CG-OH 3.27Å; L177-Y180 HydrophobicContact CB-CD2 4.24Å; L177-Y180 HydrophobicContact CD2-CD2 4.06Å; L177-Y180 HydrophobicContact CD2-CE2 4.11Å; L177-Y180 PolarHBondContact O-N 3.45Å; S178-Y180 VanDerWaalsContact C-N 3.29Å; S178-Y180 PolarHBondContact O-N 3.33Å; Y180-K182 PolarHBondContact O-N 3.13Å; Y180-G183 PolarHBondContact O-N 3.37Å; Y180-Q184 PolarHBondContact O-N 3.34Å; Y180-T209 HydrophobicContact CE1-CG2 4.04Å; Y180-T209 HydrophobicContact CE2-CG2 4.16Å; Y180-T209 VanDerWaalsContact OH-CG2 3.3Å; Y180-T209 WeakPolarHBondContact OH-CG2 3.36Å; Y180-D212 HydrophobicContact CD1-CB 4.06Å; Y180-D212 VanDerWaalsContact CD1-CG 3.48Å; Y180-D212 WeakPolarHBondContact CD1-OD2 3.48Å; Y180-D212 HydrophobicContact CE1-CB 3.86Å
181	L	97	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-28.6	171.1	-87.4	78.7	0	0	0	111.9	M141 L144 V167 L168 W171 S178 S179 Q184 Y185	M141-L181 HydrophobicContact CE-CD1 3.32Å; M141-L181 HydrophobicContact SD-CD1 4.42Å; L144-L181 HydrophobicContact CD2-CD2 4.09Å; L144-L181 HydrophobicContact CD2-CG 4.05Å; V167-L181 HydrophobicContact CG2-CD2 4.18Å; L168-L181 HydrophobicContact CD2-CB 3.85Å; L168-L181 HydrophobicContact CD2-CD2 3.91Å; L168-L181 HydrophobicContact CG-CD2 4.46Å; W171-L181 HydrophobicContact CB-CD2 4.3Å; W171-L181 VanDerWaalsContact CD1-CD2 3.42Å; W171-L181 HydrophobicContact CD2-CD1 3.78Å; W171-L181 HydrophobicContact CD2-CD2 3.58Å; W171-L181 HydrophobicContact CD2-CG 4.35Å; W171-L181 HydrophobicContact CE3-CD1 3.74Å; W171-L181 HydrophobicContact CE3-CD2 4.37Å; W171-L181 HydrophobicContact CG-CD1 4.46Å; W171-L181 HydrophobicContact CG-CD2 3.5Å; W171-L181 HydrophobicContact CH2-CD1 4.1Å; W171-L181 HydrophobicContact CZ2-CD1 4.08Å; W171-L181 HydrophobicContact CZ2-CD2 4.3Å; W171-L181 HydrophobicContact CZ3-CD1 3.91Å; S178-L181 PolarHBondContact O-N 3.12Å; S179-L181 PolarHBondContact O-N 3.37Å; L181-Q184 PolarHBondContact O-N 3.34Å; L181-Y185 WeakPolarHBondContact O-CB 3.48Å; L181-Y185 PolarHBondContact O-N 3.12Å
182	K	97.6	Very high	96.1	Very high	53 Å²	53	30.7 Å²	30.7	23%	0.23	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-43.3	177.2	-70.2	-178.8	172.1	-74.5	0	110.7	S179 Y180 Y185 S186 V201 E204 L208	S179-K182 WeakPolarHBondContact O-CB 3.5Å; S179-K182 PolarHBondContact O-N 2.91Å; S179-K182 VanDerWaalsContact O-N 3.13Å; Y180-K182 PolarHBondContact O-N 3.13Å; K182-Y185 PolarHBondContact O-N 3.1Å; K182-S186 WeakPolarHBondContact O-CB 3.24Å; K182-S186 PolarHBondContact O-N 2.87Å; K182-V201 HydrophobicContact CB-CG1 3.9Å; K182-V201 HydrophobicContact CG-CG1 4.27Å; K182-V201 VanDerWaalsContact O-CG1 3.27Å; K182-V201 WeakPolarHBondContact O-CG1 3.44Å; K182-E204 HydrophobicContact CD-CB 4.08Å; K182-E204 IonicContact NZ-OE2 3.82Å; K182-E204 PolarHBondContact NZ-OE2 2.88Å; K182-L208 HydrophobicContact CD-CD1 4.37Å
183	G	97.7	Very high	96.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.7	-49.5	172.8	0	0	0	0	0	112	Y180 Y185 S186 F187	Y180-G183 PolarHBondContact O-N 3.37Å; G183-Y185 PolarHBondContact O-N 3.36Å; G183-S186 PolarHBondContact O-N 3.12Å; G183-F187 PolarHBondContact O-N 3.45Å
184	Q	98.1	Very high	96.6	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-46	178.8	-68.2	179.6	60.5	0	0	111.9	V164 Y180 L181 F187 G188	V164-Q184 HydrophobicContact CG1-CB 4.3Å; V164-Q184 HydrophobicContact CG2-CB 4.07Å; Y180-Q184 PolarHBondContact O-N 3.34Å; L181-Q184 PolarHBondContact O-N 3.34Å; Q184-F187 PolarHBondContact O-N 2.83Å; Q184-G188 PolarHBondContact O-N 3.46Å
185	Y	98.7	Very high	97	Very high	40 Å²	40	26.5 Å²	26.5	16%	0.157	12%	0.123	C	C	.	.	H	α-helix	trans	-66.6	-41.2	179.2	-175.2	-138.4	0	0	0	112.2	R161 V164 A165 L168 L181 K182 G183 F187 G188 L189 V201	R161-Y185 HydrophobicContact CG-CD2 4.44Å; R161-Y185 HydrophobicContact CG-CE2 3.96Å; V164-Y185 HydrophobicContact CB-CD2 4.39Å; V164-Y185 HydrophobicContact CG1-CG 4.43Å; A165-Y185 HydrophobicContact CB-CD2 4.3Å; A165-Y185 HydrophobicContact CB-CE2 3.68Å; L168-Y185 HydrophobicContact CD1-CD1 3.41Å; L168-Y185 VanDerWaalsContact CD1-CD1 3.41Å; L168-Y185 HydrophobicContact CD1-CD2 4.2Å; L168-Y185 HydrophobicContact CD1-CE1 3.9Å; L168-Y185 HydrophobicContact CD1-CG 3.59Å; L181-Y185 WeakPolarHBondContact O-CB 3.48Å; L181-Y185 PolarHBondContact O-N 3.12Å; K182-Y185 PolarHBondContact O-N 3.1Å; G183-Y185 PolarHBondContact O-N 3.36Å; Y185-F187 VanDerWaalsContact C-N 3.26Å; Y185-F187 PolarHBondContact O-N 3.25Å; Y185-G188 PolarHBondContact O-N 3.18Å; Y185-L189 HydrophobicContact CD1-CD1 3.84Å; Y185-L189 HydrophobicContact CD2-CD1 4.35Å; Y185-L189 HydrophobicContact CD2-CG 4.17Å; Y185-L189 HydrophobicContact CE1-CD1 3.61Å; Y185-L189 HydrophobicContact CE1-CG 4.25Å; Y185-L189 HydrophobicContact CE2-CD1 4.11Å; Y185-L189 HydrophobicContact CE2-CD2 4.06Å; Y185-L189 HydrophobicContact CE2-CG 3.83Å; Y185-L189 HydrophobicContact CG-CD1 4.21Å; Y185-L189 HydrophobicContact CG-CG 4.5Å; Y185-L189 WeakPolarHBondContact O-CG 3.41Å; Y185-L189 PolarHBondContact O-N 3.25Å; Y185-V201 HydrophobicContact CD1-CG1 3.98Å; Y185-V201 HydrophobicContact CD1-CG2 4.16Å; Y185-V201 HydrophobicContact CE1-CG2 4.33Å
186	S	98.8	Very high	97.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-41.2	174.8	-178.1	0	0	0	0	111.6	K182 G183 L189 L190 A198 A202 S218	K182-S186 WeakPolarHBondContact O-CB 3.24Å; K182-S186 PolarHBondContact O-N 2.87Å; G183-S186 PolarHBondContact O-N 3.12Å; S186-L189 WeakPolarHBondContact O-CB 3.42Å; S186-L189 PolarHBondContact O-N 3.12Å; S186-L190 PolarHBondContact O-N 3.25Å; S186-A198 WeakPolarHBondContact O-CB 3.38Å; S186-A198 VanDerWaalsContact OG-C 3.23Å; S186-A198 WeakPolarHBondContact OG-CA 3.23Å; S186-A198 PolarHBondContact OG-O 3.06Å; S186-A202 WeakPolarHBondContact OG-CB 3.41Å; S186-S218 WeakPolarHBondContact CB-OG 3.48Å; S186-S218 PolarHBondContact OG-OG 3.39Å
187	F	98.6	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.7	-42	175.5	-169.6	-99.4	0	0	0	112.8	H148 F152 M160 G183 Q184 Y185 L189 L190 E191 W214 H217	H148-F187 AromaticContact CE1-CD1 3.84Å; F152-F187 AromaticContact CD2-CE1 3.93Å; F152-F187 HydrophobicContact CD2-CE1 3.93Å; F152-F187 HydrophobicContact CD2-CZ 4.15Å; F152-F187 HydrophobicContact CE2-CE1 4.26Å; F152-F187 HydrophobicContact CE2-CZ 4Å; M160-F187 HydrophobicContact CE-CD1 3.58Å; M160-F187 HydrophobicContact CE-CE1 3.5Å; M160-F187 HydrophobicContact SD-CD1 3.94Å; M160-F187 HydrophobicContact SD-CE1 3.91Å; G183-F187 PolarHBondContact O-N 3.45Å; Q184-F187 PolarHBondContact O-N 2.83Å; Y185-F187 VanDerWaalsContact C-N 3.26Å; Y185-F187 PolarHBondContact O-N 3.25Å; F187-L189 VanDerWaalsContact C-N 3.31Å; F187-L189 PolarHBondContact O-N 3.35Å; F187-L190 HydrophobicContact CB-CD2 4.48Å; F187-L190 HydrophobicContact CD2-CD1 4.37Å; F187-L190 HydrophobicContact CD2-CD2 3.83Å; F187-L190 HydrophobicContact CD2-CG 4.26Å; F187-L190 HydrophobicContact CE2-CD1 4.32Å; F187-L190 HydrophobicContact CE2-CD2 4.49Å; F187-L190 HydrophobicContact CG-CD2 4.48Å; F187-L190 WeakPolarHBondContact O-CG 3.44Å; F187-L190 PolarHBondContact O-N 3.31Å; F187-E191 HydrophobicContact CD1-CG 4.22Å; F187-E191 HydrophobicContact CE1-CG 3.77Å; F187-E191 HydrophobicContact CE2-CG 4.17Å; F187-E191 HydrophobicContact CZ-CG 3.72Å; F187-E191 WeakPolarHBondContact O-CB 3.23Å; F187-E191 WeakPolarHBondContact O-CG 3.39Å; F187-E191 PolarHBondContact O-N 3.35Å; F187-E191 VanDerWaalsContact O-N 3.07Å; F187-W214 HydrophobicContact CB-CZ2 4.03Å; F187-W214 HydrophobicContact CD1-CH2 4.45Å; F187-W214 AromaticContact CD1-CZ2 3.59Å; F187-W214 HydrophobicContact CD1-CZ2 3.59Å; F187-W214 HydrophobicContact CD2-CH2 4.48Å; F187-W214 AromaticContact CD2-CZ2 3.83Å; F187-W214 HydrophobicContact CD2-CZ2 3.83Å; F187-W214 HydrophobicContact CE1-CH2 4.38Å; F187-W214 AromaticContact CE1-CZ2 3.94Å; F187-W214 HydrophobicContact CE1-CZ2 3.94Å; F187-W214 HydrophobicContact CE2-CH2 4.48Å; F187-W214 HydrophobicContact CE2-CZ2 4.22Å; F187-W214 AromaticContact CG-CE2 3.98Å; F187-W214 HydrophobicContact CG-CH2 4.49Å; F187-W214 AromaticContact CG-CZ2 3.51Å; F187-W214 HydrophobicContact CG-CZ2 3.51Å; F187-W214 AromaticContact CG-NE1 4Å; F187-W214 HydrophobicContact CZ-CH2 4.41Å; F187-W214 HydrophobicContact CZ-CZ2 4.25Å; F187-H217 AromaticContact CD2-CE1 3.72Å; F187-H217 AromaticContact CE2-CE1 3.34Å; F187-H217 WeakPolarHBondContact CE2-CE1 3.27Å
188	G	98.4	Very high	97.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-38.9	171.6	0	0	0	0	0	113.2	Q184 Y185 T192	Q184-G188 PolarHBondContact O-N 3.46Å; Y185-G188 PolarHBondContact O-N 3.18Å; G188-T192 PolarHBondContact O-N 3.29Å; G188-T192 PolarHBondContact O-OG1 3.36Å
189	L	98.8	Very high	97.9	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-65.3	-45.3	176.9	-75.2	168.5	0	0	0	112.1	R161 Y185 S186 F187 T192 R193 F194 Q197 A198 V201	R161-L189 HydrophobicContact CG-CD2 4.38Å; Y185-L189 HydrophobicContact CD1-CD1 3.84Å; Y185-L189 HydrophobicContact CD2-CD1 4.35Å; Y185-L189 HydrophobicContact CD2-CG 4.17Å; Y185-L189 HydrophobicContact CE1-CD1 3.61Å; Y185-L189 HydrophobicContact CE1-CG 4.25Å; Y185-L189 HydrophobicContact CE2-CD1 4.11Å; Y185-L189 HydrophobicContact CE2-CD2 4.06Å; Y185-L189 HydrophobicContact CE2-CG 3.83Å; Y185-L189 HydrophobicContact CG-CD1 4.21Å; Y185-L189 HydrophobicContact CG-CG 4.5Å; Y185-L189 WeakPolarHBondContact O-CG 3.41Å; Y185-L189 PolarHBondContact O-N 3.25Å; S186-L189 WeakPolarHBondContact O-CB 3.42Å; S186-L189 PolarHBondContact O-N 3.12Å; F187-L189 VanDerWaalsContact C-N 3.31Å; F187-L189 PolarHBondContact O-N 3.35Å; L189-T192 CarbonylContact O-C 3.59Å; L189-T192 PolarHBondContact O-N 3.48Å; L189-T192 PolarHBondContact O-OG1 3.28Å; L189-T192 VanDerWaalsContact O-OG1 3.14Å; L189-R193 PolarHBondContact O-N 3.27Å; L189-R193 VanDerWaalsContact O-N 3.14Å; L189-F194 HydrophobicContact CB-CB 4.16Å; L189-F194 HydrophobicContact CD2-CB 3.81Å; L189-F194 HydrophobicContact CD2-CD2 4.39Å; L189-F194 HydrophobicContact CD2-CG 4.19Å; L189-F194 PolarHBondContact O-N 3.08Å; L189-Q197 HydrophobicContact CD1-CB 4.16Å; L189-Q197 HydrophobicContact CD1-CG 3.77Å; L189-Q197 HydrophobicContact CD2-CG 4.35Å; L189-Q197 VanDerWaalsContact CD2-OE1 3.32Å; L189-A198 HydrophobicContact CB-CB 3.81Å; L189-V201 HydrophobicContact CD1-CG2 4.07Å
190	L	98	Very high	98.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-68.7	-39.2	-178.9	78	88.5	0	0	0	112	S186 F187 T192 R193 Y195 A198 S218 H221 V222	S186-L190 PolarHBondContact O-N 3.25Å; F187-L190 HydrophobicContact CB-CD2 4.48Å; F187-L190 HydrophobicContact CD2-CD1 4.37Å; F187-L190 HydrophobicContact CD2-CD2 3.83Å; F187-L190 HydrophobicContact CD2-CG 4.26Å; F187-L190 HydrophobicContact CE2-CD1 4.32Å; F187-L190 HydrophobicContact CE2-CD2 4.49Å; F187-L190 HydrophobicContact CG-CD2 4.48Å; F187-L190 WeakPolarHBondContact O-CG 3.44Å; F187-L190 PolarHBondContact O-N 3.31Å; L190-T192 PolarHBondContact O-N 3.17Å; L190-T192 VanDerWaalsContact O-N 3.16Å; L190-R193 WeakPolarHBondContact O-CA 3.38Å; L190-R193 PolarHBondContact O-N 3.42Å; L190-Y195 HydrophobicContact CB-CD1 4.14Å; L190-Y195 HydrophobicContact CB-CE1 4.35Å; L190-Y195 VanDerWaalsContact O-CE1 3.27Å; L190-Y195 WeakPolarHBondContact O-CE1 3.4Å; L190-A198 HydrophobicContact CB-CB 3.85Å; L190-S218 WeakPolarHBondContact CD2-O 3.4Å; L190-S218 WeakPolarHBondContact CD2-OG 3.38Å; L190-H221 HydrophobicContact CD1-CB 4.26Å; L190-H221 WeakPolarHBondContact CD1-ND1 3.39Å; L190-H221 HydrophobicContact CD2-CB 4.16Å; L190-V222 HydrophobicContact CB-CG2 3.63Å; L190-V222 HydrophobicContact CD2-CG2 4.05Å; L190-V222 HydrophobicContact CG-CG2 4.45Å
191	E	97.9	Very high	98.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-69.7	-12.1	177.6	-73.6	-68.6	118.8	0	0	111.9	Q157 M160 F187 H221 S410 D411 R414	Q157-E191 HydrophobicContact CB-CB 4.23Å; Q157-E191 HydrophobicContact CG-CB 4.01Å; Q157-E191 PolarHBondContact NE2-O 2.93Å; Q157-E191 VanDerWaalsContact NE2-O 3.14Å; Q157-E191 PolarHBondContact NE2-OE2 3.14Å; Q157-E191 PolarHBondContact OE1-O 3.39Å; M160-E191 HydrophobicContact CE-CB 3.88Å; M160-E191 HydrophobicContact CE-CG 3.85Å; F187-E191 HydrophobicContact CD1-CG 4.22Å; F187-E191 HydrophobicContact CE1-CG 3.77Å; F187-E191 HydrophobicContact CE2-CG 4.17Å; F187-E191 HydrophobicContact CZ-CG 3.72Å; F187-E191 WeakPolarHBondContact O-CB 3.23Å; F187-E191 WeakPolarHBondContact O-CG 3.39Å; F187-E191 PolarHBondContact O-N 3.35Å; F187-E191 VanDerWaalsContact O-N 3.07Å; E191-H221 IonicContact OE1-CE1 3.67Å; E191-H221 PolarHBondContact OE1-CE1 3.33Å; E191-H221 VanDerWaalsContact OE1-CE1 3.3Å; E191-H221 IonicContact OE1-NE2 3.28Å; E191-S410 WeakPolarHBondContact OE1-CB 3.22Å; E191-S410 WeakPolarHBondContact OE2-CA 3.35Å; E191-D411 PolarHBondContact OE1-N 3.2Å; E191-D411 VanDerWaalsContact OE1-N 3.14Å; E191-D411 PolarHBondContact OE2-N 2.64Å; E191-R414 IonicContact OE2-NH2 2.73Å; E191-R414 PolarHBondContact OE2-NH2 3.49Å
192	T	98	Very high	98.2	Very high	25 Å²	25	38.5 Å²	38.5	15%	0.153	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	17.7	169.7	55.9	0	0	0	0	112.8	Q157 I158 R161 G188 L189 L190 F194	Q157-T192 HydrophobicContact CB-CG2 4.02Å; I158-T192 HydrophobicContact CG1-CG2 4.26Å; R161-T192 HydrophobicContact CB-CG2 4.42Å; R161-T192 WeakPolarHBondContact CD-OG1 3.25Å; R161-T192 PolarHBondContact NH1-OG1 3.26Å; G188-T192 PolarHBondContact O-N 3.29Å; G188-T192 PolarHBondContact O-OG1 3.36Å; L189-T192 CarbonylContact O-C 3.59Å; L189-T192 PolarHBondContact O-N 3.48Å; L189-T192 PolarHBondContact O-OG1 3.28Å; L189-T192 VanDerWaalsContact O-OG1 3.14Å; L190-T192 PolarHBondContact O-N 3.17Å; L190-T192 VanDerWaalsContact O-N 3.16Å; T192-F194 VanDerWaalsContact C-N 3.31Å; T192-F194 VanDerWaalsContact O-CD2 3.24Å; T192-F194 WeakPolarHBondContact O-CD2 3.48Å; T192-F194 WeakPolarHBondContact O-CE2 3.47Å; T192-F194 PolarHBondContact O-N 2.81Å; T192-F194 WeakPolarHBondContact OG1-CD2 3.38Å
193	R	96.7	Very high	98.2	Very high	160 Å²	160	40.4 Å²	40.4	60%	0.604	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	18.3	173.1	-49	-175.7	-179.7	-175.3	-1.1	116.1	L189 L190 Y195	L189-R193 PolarHBondContact O-N 3.27Å; L189-R193 VanDerWaalsContact O-N 3.14Å; L190-R193 WeakPolarHBondContact O-CA 3.38Å; L190-R193 PolarHBondContact O-N 3.42Å; R193-Y195 HydrophobicContact CB-CE2 4.19Å; R193-Y195 PolarHBondContact O-N 2.9Å
194	F	98.2	Very high	98.2	Very high	101 Å²	101	44.1 Å²	44.1	44%	0.443	20%	0.202	S	C	.	.			trans	-83.2	55.3	170.2	-64.3	-88.7	0	0	0	111.1	R161 L189 T192 D196 Q197 A198	R161-F194 VanDerWaalsContact NH1-CE2 3.29Å; L189-F194 HydrophobicContact CB-CB 4.16Å; L189-F194 HydrophobicContact CD2-CB 3.81Å; L189-F194 HydrophobicContact CD2-CD2 4.39Å; L189-F194 HydrophobicContact CD2-CG 4.19Å; L189-F194 PolarHBondContact O-N 3.08Å; T192-F194 VanDerWaalsContact C-N 3.31Å; T192-F194 VanDerWaalsContact O-CD2 3.24Å; T192-F194 WeakPolarHBondContact O-CD2 3.48Å; T192-F194 WeakPolarHBondContact O-CE2 3.47Å; T192-F194 PolarHBondContact O-N 2.81Å; T192-F194 WeakPolarHBondContact OG1-CD2 3.38Å; F194-D196 PolarHBondContact O-N 3.22Å; F194-Q197 HydrophobicContact CB-CB 4.28Å; F194-Q197 PolarHBondContact O-N 2.91Å; F194-Q197 VanDerWaalsContact O-N 3.12Å; F194-A198 PolarHBondContact O-N 3.35Å
195	Y	97.9	Very high	98.2	Very high	38 Å²	38	44 Å²	44	15%	0.149	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-44.3	-168.2	-64.2	-44.5	0	0	0	114.6	L190 R193 Q197 A198 L199 V222 M225 K226	L190-Y195 HydrophobicContact CB-CD1 4.14Å; L190-Y195 HydrophobicContact CB-CE1 4.35Å; L190-Y195 VanDerWaalsContact O-CE1 3.27Å; L190-Y195 WeakPolarHBondContact O-CE1 3.4Å; R193-Y195 HydrophobicContact CB-CE2 4.19Å; R193-Y195 PolarHBondContact O-N 2.9Å; Y195-Q197 VanDerWaalsContact C-N 3.31Å; Y195-Q197 PolarHBondContact O-N 3.47Å; Y195-A198 WeakPolarHBondContact O-CB 3.49Å; Y195-A198 PolarHBondContact O-N 3.42Å; Y195-L199 PolarHBondContact O-N 3.07Å; Y195-V222 HydrophobicContact CD1-CG1 4.08Å; Y195-V222 HydrophobicContact CD1-CG2 4.23Å; Y195-V222 HydrophobicContact CG-CG1 4.13Å; Y195-M225 HydrophobicContact CE1-CB 3.93Å; Y195-M225 HydrophobicContact CE1-CG 4.49Å; Y195-K226 HydrophobicContact CD2-CD 4.47Å; Y195-K226 HydrophobicContact CD2-CG 4.04Å; Y195-K226 HydrophobicContact CG-CD 4.45Å; Y195-K226 HydrophobicContact CG-CG 4.32Å
196	D	98.1	Very high	98.1	Very high	121 Å²	121	42.5 Å²	42.5	65%	0.647	20%	0.196	S	C	*	.	H	α-helix	trans	-66.9	-36	-179.5	-64.8	-25	0	0	0	111.7	F194 K200 K226	F194-D196 PolarHBondContact O-N 3.22Å; D196-K200 PolarHBondContact O-N 2.98Å; D196-K200 VanDerWaalsContact O-N 3.16Å; D196-K226 IonicContact OD1-NZ 2.78Å
197	Q	98.6	Very high	98	Very high	87 Å²	87	46.5 Å²	46.5	41%	0.407	23%	0.229	S	C	.	.	H	α-helix	trans	-71.9	-40.8	176.1	-164.4	177.7	15.4	0	0	111.2	L189 F194 Y195 K200 V201	L189-Q197 HydrophobicContact CD1-CB 4.16Å; L189-Q197 HydrophobicContact CD1-CG 3.77Å; L189-Q197 HydrophobicContact CD2-CG 4.35Å; L189-Q197 VanDerWaalsContact CD2-OE1 3.32Å; F194-Q197 HydrophobicContact CB-CB 4.28Å; F194-Q197 PolarHBondContact O-N 2.91Å; F194-Q197 VanDerWaalsContact O-N 3.12Å; Y195-Q197 VanDerWaalsContact C-N 3.31Å; Y195-Q197 PolarHBondContact O-N 3.47Å; Q197-K200 PolarHBondContact O-N 3.08Å; Q197-V201 WeakPolarHBondContact O-CG2 3.41Å; Q197-V201 PolarHBondContact O-N 3.25Å
198	A	98.7	Very high	97.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.9	-55.5	174	0	0	0	0	0	110.6	S186 L189 L190 F194 Y195 K200 V201 A202 V222	S186-A198 WeakPolarHBondContact O-CB 3.38Å; S186-A198 VanDerWaalsContact OG-C 3.23Å; S186-A198 WeakPolarHBondContact OG-CA 3.23Å; S186-A198 PolarHBondContact OG-O 3.06Å; L189-A198 HydrophobicContact CB-CB 3.81Å; L190-A198 HydrophobicContact CB-CB 3.85Å; F194-A198 PolarHBondContact O-N 3.35Å; Y195-A198 WeakPolarHBondContact O-CB 3.49Å; Y195-A198 PolarHBondContact O-N 3.42Å; A198-K200 VanDerWaalsContact C-N 3.29Å; A198-K200 PolarHBondContact O-N 3.37Å; A198-V201 PolarHBondContact O-N 3.26Å; A198-A202 PolarHBondContact O-N 3.3Å; A198-V222 HydrophobicContact CB-CG2 3.85Å
199	L	98.5	Very high	97.8	Very high	22 Å²	22	53 Å²	53	12%	0.115	26%	0.264	C	S	.	.	H	α-helix	trans	-52.9	-46.6	177.6	-77.3	170.4	0	0	0	112.4	Y195 V201 M203 V219 V222 Y223	Y195-L199 PolarHBondContact O-N 3.07Å; L199-V201 PolarHBondContact O-N 3.5Å; L199-M203 WeakPolarHBondContact O-CB 3.34Å; L199-M203 WeakPolarHBondContact O-CG 3.33Å; L199-M203 PolarHBondContact O-N 3.38Å; L199-V219 HydrophobicContact CD2-CB 4.28Å; L199-V219 HydrophobicContact CD2-CG1 3.8Å; L199-V219 HydrophobicContact CD2-CG2 4.28Å; L199-V222 HydrophobicContact CD1-CB 4.48Å; L199-V222 HydrophobicContact CD1-CG1 3.62Å; L199-V222 HydrophobicContact CD2-CB 3.94Å; L199-V222 HydrophobicContact CD2-CG1 3.99Å; L199-V222 HydrophobicContact CD2-CG2 4.42Å; L199-V222 HydrophobicContact CG-CB 3.96Å; L199-V222 HydrophobicContact CG-CG1 3.56Å; L199-V222 HydrophobicContact CG-CG2 4.24Å; L199-Y223 HydrophobicContact CD1-CD1 4.4Å; L199-Y223 HydrophobicContact CD1-CE1 3.83Å; L199-Y223 HydrophobicContact CD2-CD1 4.39Å; L199-Y223 HydrophobicContact CD2-CE1 3.88Å; L199-Y223 HydrophobicContact CD2-CE2 4.36Å
200	K	98.6	Very high	97.7	Very high	136 Å²	136	55.9 Å²	55.9	59%	0.591	28%	0.282	S	S	*	.	H	α-helix	trans	-58.3	-50.6	178.1	-178.2	-178.5	174.6	-175.1	0	111.3	D196 Q197 A198 M203 E204	D196-K200 PolarHBondContact O-N 2.98Å; D196-K200 VanDerWaalsContact O-N 3.16Å; Q197-K200 PolarHBondContact O-N 3.08Å; A198-K200 VanDerWaalsContact C-N 3.29Å; A198-K200 PolarHBondContact O-N 3.37Å; K200-M203 PolarHBondContact O-N 3.31Å; K200-E204 WeakPolarHBondContact CE-OE1 3.43Å; K200-E204 WeakPolarHBondContact O-CG 3.42Å; K200-E204 PolarHBondContact O-N 3.03Å
201	V	98.4	Very high	97.5	Very high	16 Å²	16	58.8 Å²	58.8	10%	0.097	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-44.1	-177.4	173	0	0	0	0	111.4	K182 Y185 L189 Q197 A198 L199 E204 G205	K182-V201 HydrophobicContact CB-CG1 3.9Å; K182-V201 HydrophobicContact CG-CG1 4.27Å; K182-V201 VanDerWaalsContact O-CG1 3.27Å; K182-V201 WeakPolarHBondContact O-CG1 3.44Å; Y185-V201 HydrophobicContact CD1-CG1 3.98Å; Y185-V201 HydrophobicContact CD1-CG2 4.16Å; Y185-V201 HydrophobicContact CE1-CG2 4.33Å; L189-V201 HydrophobicContact CD1-CG2 4.07Å; Q197-V201 WeakPolarHBondContact O-CG2 3.41Å; Q197-V201 PolarHBondContact O-N 3.25Å; A198-V201 PolarHBondContact O-N 3.26Å; L199-V201 PolarHBondContact O-N 3.5Å; V201-E204 WeakPolarHBondContact O-CB 3.33Å; V201-E204 PolarHBondContact O-N 2.62Å; V201-G205 PolarHBondContact O-N 3.09Å
202	A	98.4	Very high	97.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-44	177.3	0	0	0	0	0	112.1	S186 A198 E204 G205 L206 A215 V219	S186-A202 WeakPolarHBondContact OG-CB 3.41Å; A198-A202 PolarHBondContact O-N 3.3Å; A202-E204 VanDerWaalsContact C-N 3.32Å; A202-E204 PolarHBondContact O-N 3.4Å; A202-G205 CarbonylContact O-C 3.46Å; A202-G205 WeakPolarHBondContact O-CA 3.49Å; A202-G205 PolarHBondContact O-N 3.25Å; A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 3.37Å; A202-A215 HydrophobicContact CB-CB 4.44Å; A202-V219 HydrophobicContact CB-CG2 3.57Å
203	M	98.2	Very high	97.4	Very high	93 Å²	93	57.5 Å²	57.5	46%	0.458	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-35.7	178.1	-69.1	-60.2	-64.2	0	0	112.3	L199 K200 G205 L206 A207 V219 F235	L199-M203 WeakPolarHBondContact O-CB 3.34Å; L199-M203 WeakPolarHBondContact O-CG 3.33Å; L199-M203 PolarHBondContact O-N 3.38Å; K200-M203 PolarHBondContact O-N 3.31Å; M203-G205 VanDerWaalsContact C-N 3.3Å; M203-G205 PolarHBondContact O-N 3.41Å; M203-L206 PolarHBondContact O-N 3.04Å; M203-L206 HydrophobicContact SD-CD1 4.15Å; M203-A207 WeakPolarHBondContact O-CB 3.29Å; M203-A207 PolarHBondContact O-N 3.49Å; M203-V219 HydrophobicContact SD-CG2 4.13Å; M203-F235 HydrophobicContact SD-CE2 4.04Å
204	E	97.5	Very high	97.4	Very high	79 Å²	79	50.8 Å²	50.8	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-36.7	169.7	-72.7	173.2	-167.2	0	0	112.2	K182 K200 V201 A202	K182-E204 HydrophobicContact CD-CB 4.08Å; K182-E204 IonicContact NZ-OE2 3.82Å; K182-E204 PolarHBondContact NZ-OE2 2.88Å; K200-E204 WeakPolarHBondContact CE-OE1 3.43Å; K200-E204 WeakPolarHBondContact O-CG 3.42Å; K200-E204 PolarHBondContact O-N 3.03Å; V201-E204 WeakPolarHBondContact O-CB 3.33Å; V201-E204 PolarHBondContact O-N 2.62Å; A202-E204 VanDerWaalsContact C-N 3.32Å; A202-E204 PolarHBondContact O-N 3.4Å
205	G	96.6	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-48.5	174.9	0	0	0	0	0	111.9	V201 A202 M203 A207 L208 T209	V201-G205 PolarHBondContact O-N 3.09Å; A202-G205 CarbonylContact O-C 3.46Å; A202-G205 WeakPolarHBondContact O-CA 3.49Å; A202-G205 PolarHBondContact O-N 3.25Å; M203-G205 VanDerWaalsContact C-N 3.3Å; M203-G205 PolarHBondContact O-N 3.41Å; G205-A207 VanDerWaalsContact C-N 3.25Å; G205-A207 PolarHBondContact O-N 3.38Å; G205-L208 WeakPolarHBondContact O-CB 3.35Å; G205-L208 PolarHBondContact O-N 3.1Å; G205-T209 PolarHBondContact O-N 2.92Å
206	L	97.6	Very high	97.4	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-27.5	179	-67.6	173	0	0	0	113.2	A202 M203 L208 T209 P210 D212 A215 V216 V219 F235	A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 3.37Å; M203-L206 PolarHBondContact O-N 3.04Å; M203-L206 HydrophobicContact SD-CD1 4.15Å; L206-L208 PolarHBondContact O-N 3.45Å; L206-T209 CarbonylContact O-C 3.16Å; L206-P210 WeakPolarHBondContact O-CA 3.34Å; L206-D212 HydrophobicContact CD2-CB 4.39Å; L206-A215 HydrophobicContact CD1-CB 4.5Å; L206-A215 HydrophobicContact CD2-CB 3.76Å; L206-A215 HydrophobicContact CG-CB 3.83Å; L206-V216 HydrophobicContact CD1-CG2 4.38Å; L206-V216 HydrophobicContact CD2-CG2 3.71Å; L206-V219 HydrophobicContact CD1-CG2 4.23Å; L206-F235 HydrophobicContact CD1-CE2 4.41Å; L206-F235 HydrophobicContact CD1-CZ 3.76Å
207	A	97.1	Very high	97.4	Very high	84 Å²	84	38.5 Å²	38.5	69%	0.694	21%	0.206	S	C	*	.	H	α-helix	trans	-66.6	-26.5	172.1	0	0	0	0	0	112.9	M203 G205	M203-A207 WeakPolarHBondContact O-CB 3.29Å; M203-A207 PolarHBondContact O-N 3.49Å; G205-A207 VanDerWaalsContact C-N 3.25Å; G205-A207 PolarHBondContact O-N 3.38Å
208	L	95.5	Very high	97.4	Very high	116 Å²	116	34.4 Å²	34.4	61%	0.607	19%	0.187	S	C	*	.	H	α-helix	trans	-91.4	-42.4	177	-61.2	172.8	0	0	0	111.6	K182 G205 L206	K182-L208 HydrophobicContact CD-CD1 4.37Å; G205-L208 WeakPolarHBondContact O-CB 3.35Å; G205-L208 PolarHBondContact O-N 3.1Å; L206-L208 PolarHBondContact O-N 3.45Å
209	T	96.1	Very high	97.4	Very high	21 Å²	21	34.4 Å²	34.4	13%	0.129	19%	0.187	C	C	.	.			trans	-134.4	84.2	-172.7	-54.8	0	0	0	0	108.7	S179 Y180 G205 L206 D211 D212	S179-T209 WeakPolarHBondContact CB-OG1 3.25Å; S179-T209 PolarHBondContact OG-OG1 2.94Å; Y180-T209 HydrophobicContact CE1-CG2 4.04Å; Y180-T209 HydrophobicContact CE2-CG2 4.16Å; Y180-T209 VanDerWaalsContact OH-CG2 3.3Å; Y180-T209 WeakPolarHBondContact OH-CG2 3.36Å; G205-T209 PolarHBondContact O-N 2.92Å; L206-T209 CarbonylContact O-C 3.16Å; T209-D211 VanDerWaalsContact CG2-OD1 3.29Å; T209-D211 WeakPolarHBondContact CG2-OD1 3.11Å; T209-D211 PolarHBondContact O-N 3.04Å; T209-D211 VanDerWaalsContact O-N 3.16Å; T209-D212 HydrophobicContact CG2-CB 4.06Å; T209-D212 WeakPolarHBondContact O-CB 3.29Å; T209-D212 PolarHBondContact O-N 3.36Å; T209-D212 VanDerWaalsContact O-N 3.1Å
210	P	96.3	Very high	97.3	Very high	61 Å²	61	33.3 Å²	33.3	40%	0.396	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.2	-174.7	-27.6	36.2	0	0	0	114.1	L206 R239 D242	L206-P210 WeakPolarHBondContact O-CA 3.34Å; P210-R239 VanDerWaalsContact O-CZ 3.26Å; P210-R239 PolarHBondContact O-NH1 3.38Å; P210-R239 PolarHBondContact O-NH2 3.38Å; P210-D242 WeakPolarHBondContact O-CB 3.01Å
211	D	94.7	Very high	97.3	Very high	62 Å²	62	26.9 Å²	26.9	33%	0.332	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	13.2	-179.5	68.3	-24	0	0	0	113.8	T209 A213 D242	T209-D211 VanDerWaalsContact CG2-OD1 3.29Å; T209-D211 WeakPolarHBondContact CG2-OD1 3.11Å; T209-D211 PolarHBondContact O-N 3.04Å; T209-D211 VanDerWaalsContact O-N 3.16Å; D211-A213 VanDerWaalsContact C-N 3.34Å; D211-A213 PolarHBondContact O-N 3.48Å; D211-D242 WeakPolarHBondContact CA-O 3.24Å; D211-D242 WeakPolarHBondContact CB-O 3.36Å
212	D	96.8	Very high	97.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.149	C	C	.	.			trans	-68.4	91.5	168.9	-176.9	-9	0	0	0	110.2	Y180 L206 T209 W214 A215 V216	Y180-D212 HydrophobicContact CD1-CB 4.06Å; Y180-D212 VanDerWaalsContact CD1-CG 3.48Å; Y180-D212 WeakPolarHBondContact CD1-OD2 3.48Å; Y180-D212 HydrophobicContact CE1-CB 3.86Å; L206-D212 HydrophobicContact CD2-CB 4.39Å; T209-D212 HydrophobicContact CG2-CB 4.06Å; T209-D212 WeakPolarHBondContact O-CB 3.29Å; T209-D212 PolarHBondContact O-N 3.36Å; T209-D212 VanDerWaalsContact O-N 3.1Å; D212-W214 PolarHBondContact O-N 2.72Å; D212-W214 WeakPolarHBondContact OD1-CB 3.23Å; D212-W214 PolarHBondContact OD1-N 2.8Å; D212-A215 HydrophobicContact CB-CB 4.01Å; D212-A215 PolarHBondContact O-N 3.26Å; D212-A215 PolarHBondContact OD1-N 3.29Å; D212-V216 PolarHBondContact O-N 3.2Å
213	A	96	Very high	97.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-26.8	-178.7	0	0	0	0	0	113	D211 H217 W243 S246 L249 N253	D211-A213 VanDerWaalsContact C-N 3.34Å; D211-A213 PolarHBondContact O-N 3.48Å; A213-H217 WeakPolarHBondContact O-CB 3.47Å; A213-H217 PolarHBondContact O-N 3.3Å; A213-W243 HydrophobicContact CB-CB 4.07Å; A213-S246 VanDerWaalsContact CB-CB 3.43Å; A213-S246 VanDerWaalsContact CB-OG 3.3Å; A213-S246 WeakPolarHBondContact CB-OG 3.25Å; A213-L249 VanDerWaalsContact C-CD2 3.44Å; A213-L249 HydrophobicContact CB-CD2 3.85Å; A213-L249 WeakPolarHBondContact O-CD2 3.41Å; A213-N253 PolarHBondContact O-ND2 3.01Å
214	W	97.5	Very high	97.1	Very high	19 Å²	19	24.3 Å²	24.3	7%	0.072	14%	0.138	C	C	.	.	H	α-helix	trans	-75.9	-36.4	177.7	-170.3	-101.1	0	0	0	111.8	W40 F187 D212 H217 S218 L249	W40-W214 AromaticContact CE2-CE3 3.75Å; W40-W214 HydrophobicContact CH2-CZ3 4.43Å; W40-W214 AromaticContact CZ2-CE3 3.84Å; W40-W214 HydrophobicContact CZ2-CE3 3.84Å; W40-W214 HydrophobicContact CZ2-CH2 4.47Å; W40-W214 AromaticContact CZ2-CZ3 3.79Å; W40-W214 HydrophobicContact CZ2-CZ3 3.79Å; W40-W214 AromaticContact NE1-CD2 3.87Å; W40-W214 AromaticContact NE1-CE3 3.59Å; F187-W214 HydrophobicContact CB-CZ2 4.03Å; F187-W214 HydrophobicContact CD1-CH2 4.45Å; F187-W214 AromaticContact CD1-CZ2 3.59Å; F187-W214 HydrophobicContact CD1-CZ2 3.59Å; F187-W214 HydrophobicContact CD2-CH2 4.48Å; F187-W214 AromaticContact CD2-CZ2 3.83Å; F187-W214 HydrophobicContact CD2-CZ2 3.83Å; F187-W214 HydrophobicContact CE1-CH2 4.38Å; F187-W214 AromaticContact CE1-CZ2 3.94Å; F187-W214 HydrophobicContact CE1-CZ2 3.94Å; F187-W214 HydrophobicContact CE2-CH2 4.48Å; F187-W214 HydrophobicContact CE2-CZ2 4.22Å; F187-W214 AromaticContact CG-CE2 3.98Å; F187-W214 HydrophobicContact CG-CH2 4.49Å; F187-W214 AromaticContact CG-CZ2 3.51Å; F187-W214 HydrophobicContact CG-CZ2 3.51Å; F187-W214 AromaticContact CG-NE1 4Å; F187-W214 HydrophobicContact CZ-CH2 4.41Å; F187-W214 HydrophobicContact CZ-CZ2 4.25Å; D212-W214 PolarHBondContact O-N 2.72Å; D212-W214 WeakPolarHBondContact OD1-CB 3.23Å; D212-W214 PolarHBondContact OD1-N 2.8Å; W214-H217 AromaticContact CE3-ND1 3.76Å; W214-H217 AromaticContact CH2-CE1 3.98Å; W214-H217 AromaticContact CH2-ND1 3.9Å; W214-H217 AromaticContact CZ3-ND1 3.7Å; W214-H217 WeakPolarHBondContact O-CB 3.45Å; W214-H217 PolarHBondContact O-N 3.2Å; W214-S218 WeakPolarHBondContact O-CB 3.4Å; W214-S218 PolarHBondContact O-N 3.16Å; W214-L249 HydrophobicContact CB-CD2 4.22Å; W214-L249 HydrophobicContact CE3-CD1 3.82Å; W214-L249 HydrophobicContact CE3-CD2 3.74Å; W214-L249 HydrophobicContact CE3-CG 4.47Å; W214-L249 HydrophobicContact CZ3-CD1 3.83Å
215	A	98.2	Very high	97	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.5	-38.3	170.7	0	0	0	0	0	111.9	A202 L206 D212 S218 V219	A202-A215 HydrophobicContact CB-CB 4.44Å; L206-A215 HydrophobicContact CD1-CB 4.5Å; L206-A215 HydrophobicContact CD2-CB 3.76Å; L206-A215 HydrophobicContact CG-CB 3.83Å; D212-A215 HydrophobicContact CB-CB 4.01Å; D212-A215 PolarHBondContact O-N 3.26Å; D212-A215 PolarHBondContact OD1-N 3.29Å; A215-S218 PolarHBondContact O-N 2.83Å; A215-V219 WeakPolarHBondContact O-CG2 3.45Å; A215-V219 PolarHBondContact O-N 3.22Å; A215-V219 VanDerWaalsContact O-N 3.12Å
216	V	98	Very high	96.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-51.5	170.9	175	0	0	0	0	110.7	L206 D212 S218 V219 A220 F235 M236 W243	L206-V216 HydrophobicContact CD1-CG2 4.38Å; L206-V216 HydrophobicContact CD2-CG2 3.71Å; D212-V216 PolarHBondContact O-N 3.2Å; V216-S218 VanDerWaalsContact C-N 3.27Å; V216-S218 PolarHBondContact O-N 3.2Å; V216-V219 PolarHBondContact O-N 3.25Å; V216-V219 VanDerWaalsContact O-N 3.14Å; V216-A220 PolarHBondContact O-N 3.47Å; V216-F235 HydrophobicContact CB-CE1 4.44Å; V216-F235 HydrophobicContact CG1-CE1 3.84Å; V216-M236 HydrophobicContact CG1-SD 3.95Å; V216-W243 HydrophobicContact CB-CB 4.46Å; V216-W243 HydrophobicContact CG1-CB 4.38Å; V216-W243 HydrophobicContact CG1-CG 3.93Å; V216-W243 HydrophobicContact CG2-CB 4.33Å
217	H	98.1	Very high	96.8	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-50.5	-49.5	175.8	165.7	-125.5	0	0	0	111	F187 A213 W214 V219 A220 H221 L249 H252 N253 H256	F187-H217 AromaticContact CD2-CE1 3.72Å; F187-H217 AromaticContact CE2-CE1 3.34Å; F187-H217 WeakPolarHBondContact CE2-CE1 3.27Å; A213-H217 WeakPolarHBondContact O-CB 3.47Å; A213-H217 PolarHBondContact O-N 3.3Å; W214-H217 AromaticContact CE3-ND1 3.76Å; W214-H217 AromaticContact CH2-CE1 3.98Å; W214-H217 AromaticContact CH2-ND1 3.9Å; W214-H217 AromaticContact CZ3-ND1 3.7Å; W214-H217 WeakPolarHBondContact O-CB 3.45Å; W214-H217 PolarHBondContact O-N 3.2Å; H217-V219 VanDerWaalsContact C-N 3.35Å; H217-V219 PolarHBondContact O-N 3.1Å; H217-A220 PolarHBondContact O-N 3.32Å; H217-H221 AromaticContact NE2-CD2 3.71Å; H217-H221 WeakPolarHBondContact O-CB 3.17Å; H217-H221 PolarHBondContact O-N 2.96Å; H217-L249 HydrophobicContact CB-CD2 4.18Å; H217-H252 AromaticContact CD2-CD2 3.52Å; H217-H252 AromaticContact CD2-NE2 3.78Å; H217-H252 AromaticContact CE1-NE2 3.96Å; H217-H252 AromaticContact NE2-CD2 3.39Å; H217-H252 PolarHBondContact NE2-CD2 3.32Å; H217-H252 AromaticContact NE2-NE2 3.2Å; H217-H252 PolarHBondContact NE2-NE2 2.73Å; H217-N253 WeakPolarHBondContact CA-OD1 3.12Å; H217-N253 VanDerWaalsContact CB-OD1 3.23Å; H217-N253 WeakPolarHBondContact CB-OD1 3.31Å; H217-H256 AromaticContact CD2-CD2 3.48Å; H217-H256 PolarHBondContact CD2-CD2 3.13Å; H217-H256 VanDerWaalsContact CD2-CD2 3.48Å; H217-H256 AromaticContact CD2-NE2 3.29Å; H217-H256 PolarHBondContact CD2-NE2 3.21Å; H217-H256 VanDerWaalsContact CD2-NE2 3.29Å; H217-H256 AromaticContact NE2-CD2 3.84Å; H217-H256 AromaticContact NE2-NE2 3.14Å; H217-H256 PolarHBondContact NE2-NE2 3.07Å; H217-H256 VanDerWaalsContact NE2-NE2 3.14Å
218	S	98.2	Very high	96.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.8	-40.6	-179.7	-179.6	0	0	0	0	113.1	S186 L190 W214 A215 V216 V222	S186-S218 WeakPolarHBondContact CB-OG 3.48Å; S186-S218 PolarHBondContact OG-OG 3.39Å; L190-S218 WeakPolarHBondContact CD2-O 3.4Å; L190-S218 WeakPolarHBondContact CD2-OG 3.38Å; W214-S218 WeakPolarHBondContact O-CB 3.4Å; W214-S218 PolarHBondContact O-N 3.16Å; A215-S218 PolarHBondContact O-N 2.83Å; V216-S218 VanDerWaalsContact C-N 3.27Å; V216-S218 PolarHBondContact O-N 3.2Å; S218-V222 WeakPolarHBondContact O-CG2 3.38Å; S218-V222 PolarHBondContact O-N 3.34Å
219	V	98.4	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.2	-45.2	176.1	173.1	0	0	0	0	111.3	L199 A202 M203 L206 A215 V216 H217 H221 V222 Y223 F235	L199-V219 HydrophobicContact CD2-CB 4.28Å; L199-V219 HydrophobicContact CD2-CG1 3.8Å; L199-V219 HydrophobicContact CD2-CG2 4.28Å; A202-V219 HydrophobicContact CB-CG2 3.57Å; M203-V219 HydrophobicContact SD-CG2 4.13Å; L206-V219 HydrophobicContact CD1-CG2 4.23Å; A215-V219 WeakPolarHBondContact O-CG2 3.45Å; A215-V219 PolarHBondContact O-N 3.22Å; A215-V219 VanDerWaalsContact O-N 3.12Å; V216-V219 PolarHBondContact O-N 3.25Å; V216-V219 VanDerWaalsContact O-N 3.14Å; H217-V219 VanDerWaalsContact C-N 3.35Å; H217-V219 PolarHBondContact O-N 3.1Å; V219-H221 VanDerWaalsContact C-N 3.31Å; V219-H221 PolarHBondContact O-N 2.97Å; V219-V222 PolarHBondContact O-N 3.37Å; V219-Y223 HydrophobicContact CG1-CD2 3.84Å; V219-Y223 HydrophobicContact CG1-CE2 3.4Å; V219-Y223 VanDerWaalsContact CG1-CE2 3.4Å; V219-Y223 WeakPolarHBondContact O-CD2 3.44Å; V219-Y223 PolarHBondContact O-N 3.26Å; V219-Y223 VanDerWaalsContact O-N 3.14Å; V219-F235 HydrophobicContact CB-CD1 4.2Å; V219-F235 HydrophobicContact CB-CE1 3.53Å; V219-F235 HydrophobicContact CB-CE2 4.41Å; V219-F235 HydrophobicContact CB-CZ 3.66Å; V219-F235 HydrophobicContact CG1-CD1 3.71Å; V219-F235 HydrophobicContact CG1-CD2 4.04Å; V219-F235 HydrophobicContact CG1-CE1 3.47Å; V219-F235 VanDerWaalsContact CG1-CE1 3.47Å; V219-F235 HydrophobicContact CG1-CE2 3.81Å; V219-F235 HydrophobicContact CG1-CG 3.98Å; V219-F235 HydrophobicContact CG1-CZ 3.51Å; V219-F235 HydrophobicContact CG2-CE1 4.34Å; V219-F235 HydrophobicContact CG2-CZ 3.98Å
220	A	97.9	Very high	96.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-46.5	177.5	0	0	0	0	0	111.1	V216 H217 V222 Y223 E224 V232 M236 H256	V216-A220 PolarHBondContact O-N 3.47Å; H217-A220 PolarHBondContact O-N 3.32Å; A220-V222 PolarHBondContact O-N 3.31Å; A220-Y223 PolarHBondContact O-N 3.42Å; A220-E224 WeakPolarHBondContact O-CB 3.5Å; A220-E224 PolarHBondContact O-N 3.34Å; A220-V232 HydrophobicContact CB-CG1 4.38Å; A220-M236 HydrophobicContact CB-CG 4.28Å; A220-M236 HydrophobicContact CB-SD 3.56Å; A220-M236 VanDerWaalsContact CB-SD 3.56Å; A220-H256 HydrophobicContact CB-CB 4.38Å
221	H	97.7	Very high	97	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-43.3	178.8	-160.2	-58.9	0	0	0	112.2	L190 E191 H217 V219 Y223 E224 M225 H256 S410 A412	L190-H221 HydrophobicContact CD1-CB 4.26Å; L190-H221 WeakPolarHBondContact CD1-ND1 3.39Å; L190-H221 HydrophobicContact CD2-CB 4.16Å; E191-H221 IonicContact OE1-CE1 3.67Å; E191-H221 PolarHBondContact OE1-CE1 3.33Å; E191-H221 VanDerWaalsContact OE1-CE1 3.3Å; E191-H221 IonicContact OE1-NE2 3.28Å; H217-H221 AromaticContact NE2-CD2 3.71Å; H217-H221 WeakPolarHBondContact O-CB 3.17Å; H217-H221 PolarHBondContact O-N 2.96Å; V219-H221 VanDerWaalsContact C-N 3.31Å; V219-H221 PolarHBondContact O-N 2.97Å; H221-Y223 PolarHBondContact O-N 3Å; H221-E224 WeakPolarHBondContact O-CB 3.43Å; H221-E224 PolarHBondContact O-N 3.25Å; H221-M225 VanDerWaalsContact ND1-CG 3.33Å; H221-M225 WeakPolarHBondContact ND1-CG 3.25Å; H221-M225 WeakPolarHBondContact O-CB 3.37Å; H221-M225 VanDerWaalsContact O-CG 3.31Å; H221-M225 WeakPolarHBondContact O-CG 3.21Å; H221-M225 PolarHBondContact O-N 3.39Å; H221-H256 AromaticContact CD2-CE1 3.36Å; H221-H256 PolarHBondContact CD2-CE1 2.82Å; H221-H256 AromaticContact CD2-NE2 3.76Å; H221-H256 AromaticContact CG-CE1 3.88Å; H221-S410 VanDerWaalsContact NE2-CB 3.27Å; H221-S410 WeakPolarHBondContact NE2-CB 3.45Å; H221-S410 PolarHBondContact NE2-OG 3.1Å; H221-S410 VanDerWaalsContact NE2-OG 3.17Å; H221-A412 WeakPolarHBondContact NE2-CB 3.47Å
222	V	97.9	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-48.9	175	173.5	0	0	0	0	111.5	L190 Y195 A198 L199 S218 V219 A220 E224 M225 K226	L190-V222 HydrophobicContact CB-CG2 3.63Å; L190-V222 HydrophobicContact CD2-CG2 4.05Å; L190-V222 HydrophobicContact CG-CG2 4.45Å; Y195-V222 HydrophobicContact CD1-CG1 4.08Å; Y195-V222 HydrophobicContact CD1-CG2 4.23Å; Y195-V222 HydrophobicContact CG-CG1 4.13Å; A198-V222 HydrophobicContact CB-CG2 3.85Å; L199-V222 HydrophobicContact CD1-CB 4.48Å; L199-V222 HydrophobicContact CD1-CG1 3.62Å; L199-V222 HydrophobicContact CD2-CB 3.94Å; L199-V222 HydrophobicContact CD2-CG1 3.99Å; L199-V222 HydrophobicContact CD2-CG2 4.42Å; L199-V222 HydrophobicContact CG-CB 3.96Å; L199-V222 HydrophobicContact CG-CG1 3.56Å; L199-V222 HydrophobicContact CG-CG2 4.24Å; S218-V222 WeakPolarHBondContact O-CG2 3.38Å; S218-V222 PolarHBondContact O-N 3.34Å; V219-V222 PolarHBondContact O-N 3.37Å; A220-V222 PolarHBondContact O-N 3.31Å; V222-E224 VanDerWaalsContact C-N 3.29Å; V222-E224 PolarHBondContact O-N 3.01Å; V222-M225 PolarHBondContact O-N 3.34Å; V222-K226 HydrophobicContact CG1-CD 3.89Å; V222-K226 HydrophobicContact CG1-CG 4.43Å; V222-K226 WeakPolarHBondContact O-CB 3.33Å; V222-K226 WeakPolarHBondContact O-CG 3.41Å; V222-K226 PolarHBondContact O-N 3.48Å
223	Y	97.7	Very high	97.2	Very high	42 Å²	42	20.8 Å²	20.8	17%	0.165	10%	0.099	C	C	.	.	H	α-helix	trans	-63.9	-37.7	179.1	-68.4	-37.5	0	0	0	111.7	L199 V219 A220 H221 K226 A227 E228 K231 V232 F235	L199-Y223 HydrophobicContact CD1-CD1 4.4Å; L199-Y223 HydrophobicContact CD1-CE1 3.83Å; L199-Y223 HydrophobicContact CD2-CD1 4.39Å; L199-Y223 HydrophobicContact CD2-CE1 3.88Å; L199-Y223 HydrophobicContact CD2-CE2 4.36Å; V219-Y223 HydrophobicContact CG1-CD2 3.84Å; V219-Y223 HydrophobicContact CG1-CE2 3.4Å; V219-Y223 VanDerWaalsContact CG1-CE2 3.4Å; V219-Y223 WeakPolarHBondContact O-CD2 3.44Å; V219-Y223 PolarHBondContact O-N 3.26Å; V219-Y223 VanDerWaalsContact O-N 3.14Å; A220-Y223 PolarHBondContact O-N 3.42Å; H221-Y223 PolarHBondContact O-N 3Å; Y223-K226 CarbonylContact O-C 3.54Å; Y223-K226 PolarHBondContact O-N 3.06Å; Y223-A227 PolarHBondContact O-N 3.19Å; Y223-A227 VanDerWaalsContact O-N 3.16Å; Y223-E228 HydrophobicContact CD1-CB 4.39Å; Y223-E228 WeakPolarHBondContact CD1-OE2 3.26Å; Y223-E228 PolarHBondContact O-N 2.94Å; Y223-K231 HydrophobicContact CD1-CB 4Å; Y223-K231 HydrophobicContact CD1-CD 3.97Å; Y223-K231 HydrophobicContact CD2-CB 3.83Å; Y223-K231 HydrophobicContact CE1-CB 4.2Å; Y223-K231 HydrophobicContact CE1-CD 3.67Å; Y223-K231 HydrophobicContact CE2-CB 4.03Å; Y223-K231 HydrophobicContact CG-CB 3.82Å; Y223-V232 VanDerWaalsContact CB-CG2 3.41Å; Y223-F235 HydrophobicContact CE2-CB 4.36Å; Y223-F235 HydrophobicContact CE2-CG 4.47Å
224	E	95.8	Very high	97.3	Very high	14 Å²	14	26 Å²	26	7%	0.065	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-48.4	174.6	-168.3	-138.4	147.2	0	0	111.6	A220 H221 V222 K226 A227 V232 H256 A412 R448	A220-E224 WeakPolarHBondContact O-CB 3.5Å; A220-E224 PolarHBondContact O-N 3.34Å; H221-E224 WeakPolarHBondContact O-CB 3.43Å; H221-E224 PolarHBondContact O-N 3.25Å; V222-E224 VanDerWaalsContact C-N 3.29Å; V222-E224 PolarHBondContact O-N 3.01Å; E224-K226 PolarHBondContact O-N 2.82Å; E224-A227 WeakPolarHBondContact O-CA 3.48Å; E224-A227 PolarHBondContact O-N 2.73Å; E224-V232 HydrophobicContact CB-CG2 4.4Å; E224-H256 IonicContact OE2-CE1 2.9Å; E224-H256 PolarHBondContact OE2-CE1 3.3Å; E224-H256 IonicContact OE2-ND1 3.79Å; E224-H256 PolarHBondContact OE2-ND1 2.98Å; E224-A412 WeakPolarHBondContact OE1-CB 3.22Å; E224-A412 WeakPolarHBondContact OE2-CB 3.48Å; E224-R448 PolarHBondContact O-NH1 3Å; E224-R448 PolarHBondContact O-NH2 2.96Å; E224-R448 VanDerWaalsContact O-NH2 3.08Å; E224-R448 IonicContact OE1-NH1 3.35Å; E224-R448 IonicContact OE1-NH2 3.54Å
225	M	94.9	Very high	97.3	Very high	19 Å²	19	26.1 Å²	26.1	9%	0.094	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-26.7	179.5	-69.7	-53.5	-58.6	0	0	113	Y195 H221 V222 A227 D411 A412 R448	Y195-M225 HydrophobicContact CE1-CB 3.93Å; Y195-M225 HydrophobicContact CE1-CG 4.49Å; H221-M225 VanDerWaalsContact ND1-CG 3.33Å; H221-M225 WeakPolarHBondContact ND1-CG 3.25Å; H221-M225 WeakPolarHBondContact O-CB 3.37Å; H221-M225 VanDerWaalsContact O-CG 3.31Å; H221-M225 WeakPolarHBondContact O-CG 3.21Å; H221-M225 PolarHBondContact O-N 3.39Å; V222-M225 PolarHBondContact O-N 3.34Å; M225-A227 VanDerWaalsContact C-N 3.3Å; M225-D411 HydrophobicContact CE-CB 3.7Å; M225-D411 HydrophobicContact SD-CB 4.04Å; M225-A412 HydrophobicContact SD-CB 4.13Å; M225-R448 PolarHBondContact SD-NH1 2.91Å
226	K	95.1	Very high	97.2	Very high	56 Å²	56	26.1 Å²	26.1	24%	0.243	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.1	171.4	-66.8	178.9	67.6	-173.4	0	113.9	Y195 D196 V222 Y223 E224 E228	Y195-K226 HydrophobicContact CD2-CD 4.47Å; Y195-K226 HydrophobicContact CD2-CG 4.04Å; Y195-K226 HydrophobicContact CG-CD 4.45Å; Y195-K226 HydrophobicContact CG-CG 4.32Å; D196-K226 IonicContact OD1-NZ 2.78Å; V222-K226 HydrophobicContact CG1-CD 3.89Å; V222-K226 HydrophobicContact CG1-CG 4.43Å; V222-K226 WeakPolarHBondContact O-CB 3.33Å; V222-K226 WeakPolarHBondContact O-CG 3.41Å; V222-K226 PolarHBondContact O-N 3.48Å; Y223-K226 CarbonylContact O-C 3.54Å; Y223-K226 PolarHBondContact O-N 3.06Å; E224-K226 PolarHBondContact O-N 2.82Å; K226-E228 HydrophobicContact CB-CG 3.88Å; K226-E228 WeakPolarHBondContact CE-OE1 3.33Å; K226-E228 IonicContact NZ-OE1 2.66Å; K226-E228 PolarHBondContact NZ-OE1 2.81Å; K226-E228 IonicContact NZ-OE2 2.71Å; K226-E228 PolarHBondContact O-N 2.69Å
227	A	95.3	Very high	97.2	Very high	11 Å²	11	30.9 Å²	30.9	9%	0.091	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	27.4	-173.4	0	0	0	0	0	114.5	Y223 E224 M225 V229 R448 P449	Y223-A227 PolarHBondContact O-N 3.19Å; Y223-A227 VanDerWaalsContact O-N 3.16Å; E224-A227 WeakPolarHBondContact O-CA 3.48Å; E224-A227 PolarHBondContact O-N 2.73Å; M225-A227 VanDerWaalsContact C-N 3.3Å; A227-V229 VanDerWaalsContact C-N 3.26Å; A227-V229 PolarHBondContact O-N 3.1Å; A227-R448 HydrophobicContact CB-CB 4.49Å; A227-P449 WeakPolarHBondContact CB-O 3.42Å
228	E	96.6	Very high	97.2	Very high	48 Å²	48	35 Å²	35	22%	0.224	18%	0.182	C	C	.	.			trans	-85.1	62	178	-64.4	-179	168.9	0	0	110.8	Y223 K226 D230 K231 V232	Y223-E228 HydrophobicContact CD1-CB 4.39Å; Y223-E228 WeakPolarHBondContact CD1-OE2 3.26Å; Y223-E228 PolarHBondContact O-N 2.94Å; K226-E228 HydrophobicContact CB-CG 3.88Å; K226-E228 WeakPolarHBondContact CE-OE1 3.33Å; K226-E228 IonicContact NZ-OE1 2.66Å; K226-E228 PolarHBondContact NZ-OE1 2.81Å; K226-E228 IonicContact NZ-OE2 2.71Å; K226-E228 PolarHBondContact O-N 2.69Å; E228-D230 PolarHBondContact O-N 2.66Å; E228-K231 HydrophobicContact CB-CB 4.24Å; E228-K231 HydrophobicContact CB-CD 4.25Å; E228-K231 HydrophobicContact CB-CG 4.25Å; E228-K231 WeakPolarHBondContact O-CB 3.28Å; E228-K231 PolarHBondContact O-N 3.33Å; E228-K231 IonicContact OE1-NZ 3.63Å; E228-K231 PolarHBondContact OE1-NZ 3.12Å; E228-K231 VanDerWaalsContact OE2-CD 3.23Å; E228-K231 WeakPolarHBondContact OE2-CD 3.5Å; E228-K231 VanDerWaalsContact OE2-CE 3.32Å; E228-K231 WeakPolarHBondContact OE2-CE 3.37Å; E228-K231 IonicContact OE2-NZ 2.74Å; E228-K231 PolarHBondContact OE2-NZ 3.22Å; E228-V232 PolarHBondContact O-N 2.86Å
229	V	96.6	Very high	97.1	Very high	13 Å²	13	36.5 Å²	36.5	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-53.8	-44.9	-168.9	-173.9	0	0	0	0	113.6	A227 K231 V232 L233 C260 E263 R264	A227-V229 VanDerWaalsContact C-N 3.26Å; A227-V229 PolarHBondContact O-N 3.1Å; V229-K231 PolarHBondContact O-N 3.49Å; V229-V232 PolarHBondContact O-N 2.86Å; V229-L233 HydrophobicContact CG1-CD1 4.25Å; V229-L233 WeakPolarHBondContact O-CG 3.31Å; V229-L233 PolarHBondContact O-N 3.2Å; V229-L233 VanDerWaalsContact O-N 3.09Å; V229-C260 HydrophobicContact CG1-CB 3.68Å; V229-E263 HydrophobicContact CG2-CB 4.33Å; V229-E263 HydrophobicContact CG2-CG 3.62Å; V229-R264 HydrophobicContact CG1-CG 4.1Å
230	D	97.3	Very high	97	Very high	98 Å²	98	39.1 Å²	39.1	52%	0.524	20%	0.2	S	C	.	.	H	α-helix	trans	-60.3	-34.3	177.8	-77.5	-64.8	0	0	0	112.7	E228 N234 R264	E228-D230 PolarHBondContact O-N 2.66Å; D230-N234 WeakPolarHBondContact O-CB 3.24Å; D230-N234 VanDerWaalsContact O-CG 3.22Å; D230-N234 PolarHBondContact O-N 2.98Å; D230-N234 PolarHBondContact O-ND2 2.9Å; D230-R264 IonicContact OD1-CZ 3.96Å; D230-R264 IonicContact OD1-NH2 3.45Å; D230-R264 PolarHBondContact OD1-NH2 3.49Å; D230-R264 IonicContact OD2-NH2 2.88Å; D230-R264 PolarHBondContact OD2-NH2 3.39Å
231	K	97.9	Very high	96.9	Very high	96 Å²	96	47.8 Å²	47.8	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-73	-37.7	179.2	-62.8	-165.7	-161.2	160.4	0	111.5	Y223 E228 V229 F235	Y223-K231 HydrophobicContact CD1-CB 4Å; Y223-K231 HydrophobicContact CD1-CD 3.97Å; Y223-K231 HydrophobicContact CD2-CB 3.83Å; Y223-K231 HydrophobicContact CE1-CB 4.2Å; Y223-K231 HydrophobicContact CE1-CD 3.67Å; Y223-K231 HydrophobicContact CE2-CB 4.03Å; Y223-K231 HydrophobicContact CG-CB 3.82Å; E228-K231 HydrophobicContact CB-CB 4.24Å; E228-K231 HydrophobicContact CB-CD 4.25Å; E228-K231 HydrophobicContact CB-CG 4.25Å; E228-K231 WeakPolarHBondContact O-CB 3.28Å; E228-K231 PolarHBondContact O-N 3.33Å; E228-K231 IonicContact OE1-NZ 3.63Å; E228-K231 PolarHBondContact OE1-NZ 3.12Å; E228-K231 VanDerWaalsContact OE2-CD 3.23Å; E228-K231 WeakPolarHBondContact OE2-CD 3.5Å; E228-K231 VanDerWaalsContact OE2-CE 3.32Å; E228-K231 WeakPolarHBondContact OE2-CE 3.37Å; E228-K231 IonicContact OE2-NZ 2.74Å; E228-K231 PolarHBondContact OE2-NZ 3.22Å; V229-K231 PolarHBondContact O-N 3.49Å; K231-F235 WeakPolarHBondContact O-CB 3.21Å; K231-F235 PolarHBondContact O-N 3.25Å
232	V	97.6	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.3	-54.4	173.1	-174.8	0	0	0	0	109.6	A220 Y223 E224 E228 V229 N234 F235 M236 C260	A220-V232 HydrophobicContact CB-CG1 4.38Å; Y223-V232 VanDerWaalsContact CB-CG2 3.41Å; E224-V232 HydrophobicContact CB-CG2 4.4Å; E228-V232 PolarHBondContact O-N 2.86Å; V229-V232 PolarHBondContact O-N 2.86Å; V232-N234 PolarHBondContact O-N 3.43Å; V232-F235 PolarHBondContact O-N 3.16Å; V232-M236 HydrophobicContact CG1-CG 3.94Å; V232-M236 WeakPolarHBondContact O-CB 3.21Å; V232-M236 VanDerWaalsContact O-CG 3.23Å; V232-M236 WeakPolarHBondContact O-CG 3.38Å; V232-M236 PolarHBondContact O-N 2.83Å; V232-C260 WeakPolarHBondContact CB-SG 3.48Å; V232-C260 WeakPolarHBondContact CG1-SG 3.46Å
233	L	97.7	Very high	96.7	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.099	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-50.5	-176.7	-68.3	176	0	0	0	112	V229 F235 D237 C260 F261 R264	V229-L233 HydrophobicContact CG1-CD1 4.25Å; V229-L233 WeakPolarHBondContact O-CG 3.31Å; V229-L233 PolarHBondContact O-N 3.2Å; V229-L233 VanDerWaalsContact O-N 3.09Å; L233-F235 PolarHBondContact O-N 3.1Å; L233-D237 VanDerWaalsContact O-CB 3.24Å; L233-D237 WeakPolarHBondContact O-CB 3.33Å; L233-D237 PolarHBondContact O-N 2.98Å; L233-C260 HydrophobicContact CD2-CB 3.6Å; L233-C260 HydrophobicContact CG-CB 3.93Å; L233-F261 HydrophobicContact CD2-CD2 4.49Å; L233-F261 HydrophobicContact CD2-CE1 4.34Å; L233-F261 HydrophobicContact CD2-CE2 3.91Å; L233-F261 HydrophobicContact CD2-CZ 3.83Å; L233-R264 VanDerWaalsContact CD1-NH1 3.31Å
234	N	98.1	Very high	96.6	Very high	108 Å²	108	52 Å²	52	58%	0.578	26%	0.261	S	S	*	.	H	α-helix	trans	-63.6	-40.6	179.6	-71.3	-39.1	0	0	0	112.1	D230 V232 S238	D230-N234 WeakPolarHBondContact O-CB 3.24Å; D230-N234 VanDerWaalsContact O-CG 3.22Å; D230-N234 PolarHBondContact O-N 2.98Å; D230-N234 PolarHBondContact O-ND2 2.9Å; V232-N234 PolarHBondContact O-N 3.43Å; N234-S238 VanDerWaalsContact O-CB 3.24Å; N234-S238 WeakPolarHBondContact O-CB 3.43Å; N234-S238 PolarHBondContact O-N 2.74Å; N234-S238 PolarHBondContact O-OG 3.32Å
235	F	98	Very high	96.5	Very high	23 Å²	23	53 Å²	53	10%	0.101	27%	0.274	C	S	.	.	H	α-helix	trans	-68	-48.3	-179.4	-179.4	-101.5	0	0	0	111.7	M203 L206 V216 V219 Y223 K231 V232 L233 S238 R239	M203-F235 HydrophobicContact SD-CE2 4.04Å; L206-F235 HydrophobicContact CD1-CE2 4.41Å; L206-F235 HydrophobicContact CD1-CZ 3.76Å; V216-F235 HydrophobicContact CB-CE1 4.44Å; V216-F235 HydrophobicContact CG1-CE1 3.84Å; V219-F235 HydrophobicContact CB-CD1 4.2Å; V219-F235 HydrophobicContact CB-CE1 3.53Å; V219-F235 HydrophobicContact CB-CE2 4.41Å; V219-F235 HydrophobicContact CB-CZ 3.66Å; V219-F235 HydrophobicContact CG1-CD1 3.71Å; V219-F235 HydrophobicContact CG1-CD2 4.04Å; V219-F235 HydrophobicContact CG1-CE1 3.47Å; V219-F235 VanDerWaalsContact CG1-CE1 3.47Å; V219-F235 HydrophobicContact CG1-CE2 3.81Å; V219-F235 HydrophobicContact CG1-CG 3.98Å; V219-F235 HydrophobicContact CG1-CZ 3.51Å; V219-F235 HydrophobicContact CG2-CE1 4.34Å; V219-F235 HydrophobicContact CG2-CZ 3.98Å; Y223-F235 HydrophobicContact CE2-CB 4.36Å; Y223-F235 HydrophobicContact CE2-CG 4.47Å; K231-F235 WeakPolarHBondContact O-CB 3.21Å; K231-F235 PolarHBondContact O-N 3.25Å; V232-F235 PolarHBondContact O-N 3.16Å; L233-F235 PolarHBondContact O-N 3.1Å; F235-S238 PolarHBondContact O-N 3.25Å; F235-S238 PolarHBondContact O-OG 3.03Å; F235-R239 VanDerWaalsContact CE2-CD 3.46Å; F235-R239 HydrophobicContact CE2-CG 4.44Å; F235-R239 WeakPolarHBondContact O-CG 3.45Å; F235-R239 PolarHBondContact O-N 3.28Å
236	M	97.3	Very high	96.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-44.8	-179.3	-65.9	-61.6	-75.7	0	0	111.6	V216 A220 V232 R239 E240 W243 N253 W257	V216-M236 HydrophobicContact CG1-SD 3.95Å; A220-M236 HydrophobicContact CB-CG 4.28Å; A220-M236 HydrophobicContact CB-SD 3.56Å; A220-M236 VanDerWaalsContact CB-SD 3.56Å; V232-M236 HydrophobicContact CG1-CG 3.94Å; V232-M236 WeakPolarHBondContact O-CB 3.21Å; V232-M236 VanDerWaalsContact O-CG 3.23Å; V232-M236 WeakPolarHBondContact O-CG 3.38Å; V232-M236 PolarHBondContact O-N 2.83Å; M236-R239 PolarHBondContact O-N 3.35Å; M236-E240 PolarHBondContact O-N 3.02Å; M236-W243 HydrophobicContact CB-CZ2 4.4Å; M236-W243 HydrophobicContact CE-CH2 4Å; M236-W243 HydrophobicContact CE-CZ2 3.65Å; M236-W243 PolarHBondContact O-NE1 2.91Å; M236-N253 HydrophobicContact CE-CB 3.59Å; M236-N253 WeakPolarHBondContact CE-O 3.28Å; M236-W257 HydrophobicContact CB-CD2 3.77Å; M236-W257 HydrophobicContact CB-CE3 3.65Å; M236-W257 HydrophobicContact CB-CG 4.21Å; M236-W257 HydrophobicContact CB-CZ3 4.13Å
237	D	97.4	Very high	96.2	Very high	99 Å²	99	52.5 Å²	52.5	53%	0.529	28%	0.275	S	S	.	.	H	α-helix	trans	-61.8	-51.5	177.1	-177.2	68.9	0	0	0	112.3	L233 R239 E240 W257	L233-D237 VanDerWaalsContact O-CB 3.24Å; L233-D237 WeakPolarHBondContact O-CB 3.33Å; L233-D237 PolarHBondContact O-N 2.98Å; D237-R239 PolarHBondContact O-N 2.97Å; D237-E240 PolarHBondContact O-N 3.04Å; D237-W257 VanDerWaalsContact CA-CH2 3.4Å; D237-W257 HydrophobicContact CB-CH2 3.8Å; D237-W257 HydrophobicContact CB-CZ2 3.74Å
238	S	97.1	Very high	96.2	Very high	88 Å²	88	54.4 Å²	54.4	62%	0.615	28%	0.283	S	S	*	.	H	α-helix	trans	-61.5	-18.4	-177.5	69.3	0	0	0	0	114.2	N234 F235	N234-S238 VanDerWaalsContact O-CB 3.24Å; N234-S238 WeakPolarHBondContact O-CB 3.43Å; N234-S238 PolarHBondContact O-N 2.74Å; N234-S238 PolarHBondContact O-OG 3.32Å; F235-S238 PolarHBondContact O-N 3.25Å; F235-S238 PolarHBondContact O-OG 3.03Å
239	R	96	Very high	96.2	Very high	33 Å²	33	52.1 Å²	52.1	13%	0.125	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	5.3	-175	-58.8	-160.8	88.2	-85.9	-9.4	114.2	P210 F235 M236 D237 K241 D242 W243	P210-R239 VanDerWaalsContact O-CZ 3.26Å; P210-R239 PolarHBondContact O-NH1 3.38Å; P210-R239 PolarHBondContact O-NH2 3.38Å; F235-R239 VanDerWaalsContact CE2-CD 3.46Å; F235-R239 HydrophobicContact CE2-CG 4.44Å; F235-R239 WeakPolarHBondContact O-CG 3.45Å; F235-R239 PolarHBondContact O-N 3.28Å; M236-R239 PolarHBondContact O-N 3.35Å; D237-R239 PolarHBondContact O-N 2.97Å; R239-K241 PolarHBondContact O-N 2.92Å; R239-D242 IonicContact CZ-OD2 3.59Å; R239-D242 IonicContact NE-OD2 2.79Å; R239-D242 IonicContact NH1-OD2 2.69Å; R239-D242 PolarHBondContact NH1-OD2 3.19Å; R239-D242 IonicContact NH2-OD2 3.49Å; R239-D242 PolarHBondContact NH2-OD2 3.13Å; R239-D242 VanDerWaalsContact O-CB 3.31Å; R239-D242 WeakPolarHBondContact O-CB 3.41Å; R239-D242 PolarHBondContact O-N 3.06Å; R239-W243 PolarHBondContact O-NE1 3.34Å
240	E	97.3	Very high	96.2	Very high	54 Å²	54	51.5 Å²	51.5	25%	0.252	27%	0.268	S	S	.	.	H	α-helix	trans	-49	-42.9	-172.6	-172.5	179.9	-157.6	0	0	112.6	M236 D237 D242 W243 Q244 Y254 W257	M236-E240 PolarHBondContact O-N 3.02Å; D237-E240 PolarHBondContact O-N 3.04Å; E240-D242 PolarHBondContact O-N 3.09Å; E240-D242 VanDerWaalsContact O-N 3.15Å; E240-W243 VanDerWaalsContact CA-NE1 3.33Å; E240-W243 HydrophobicContact CB-CZ2 4.12Å; E240-W243 HydrophobicContact CG-CH2 4.2Å; E240-W243 HydrophobicContact CG-CZ2 3.93Å; E240-W243 PolarHBondContact O-N 3.3Å; E240-Q244 HydrophobicContact CG-CB 4.19Å; E240-Q244 WeakPolarHBondContact O-CB 3.31Å; E240-Q244 WeakPolarHBondContact O-CG 3.32Å; E240-Q244 PolarHBondContact O-N 3.14Å; E240-Y254 VanDerWaalsContact OE1-CE1 3.3Å; E240-Y254 WeakPolarHBondContact OE1-CE1 3.44Å; E240-Y254 PolarHBondContact OE1-OH 3.35Å; E240-W257 HydrophobicContact CB-CZ3 4.29Å; E240-W257 HydrophobicContact CG-CZ3 4.17Å
241	K	96.8	Very high	96.2	Very high	182 Å²	182	46.9 Å²	46.9	79%	0.791	24%	0.244	S	C	*	.	H	α-helix	trans	-59.4	-27.3	179.1	-67	-179.8	-177.4	172	0	114.5	R239	R239-K241 PolarHBondContact O-N 2.92Å
242	D	95.3	Very high	96.2	Very high	57 Å²	57	42.5 Å²	42.5	31%	0.305	23%	0.225	S	C	.	.	H	α-helix	trans	-80.7	-28.4	-176.1	-61.3	-27.9	0	0	0	111.9	P210 D211 R239 E240	P210-D242 WeakPolarHBondContact O-CB 3.01Å; D211-D242 WeakPolarHBondContact CA-O 3.24Å; D211-D242 WeakPolarHBondContact CB-O 3.36Å; R239-D242 IonicContact CZ-OD2 3.59Å; R239-D242 IonicContact NE-OD2 2.79Å; R239-D242 IonicContact NH1-OD2 2.69Å; R239-D242 PolarHBondContact NH1-OD2 3.19Å; R239-D242 IonicContact NH2-OD2 3.49Å; R239-D242 PolarHBondContact NH2-OD2 3.13Å; R239-D242 VanDerWaalsContact O-CB 3.31Å; R239-D242 WeakPolarHBondContact O-CB 3.41Å; R239-D242 PolarHBondContact O-N 3.06Å; E240-D242 PolarHBondContact O-N 3.09Å; E240-D242 VanDerWaalsContact O-N 3.15Å
243	W	95.4	Very high	96.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-120.4	-19	-172.6	58.7	-97.4	0	0	0	114.5	A213 V216 M236 R239 E240 G245 S246 A250 N253 Y254 W257	A213-W243 HydrophobicContact CB-CB 4.07Å; V216-W243 HydrophobicContact CB-CB 4.46Å; V216-W243 HydrophobicContact CG1-CB 4.38Å; V216-W243 HydrophobicContact CG1-CG 3.93Å; V216-W243 HydrophobicContact CG2-CB 4.33Å; M236-W243 HydrophobicContact CB-CZ2 4.4Å; M236-W243 HydrophobicContact CE-CH2 4Å; M236-W243 HydrophobicContact CE-CZ2 3.65Å; M236-W243 PolarHBondContact O-NE1 2.91Å; R239-W243 PolarHBondContact O-NE1 3.34Å; E240-W243 VanDerWaalsContact CA-NE1 3.33Å; E240-W243 HydrophobicContact CB-CZ2 4.12Å; E240-W243 HydrophobicContact CG-CH2 4.2Å; E240-W243 HydrophobicContact CG-CZ2 3.93Å; E240-W243 PolarHBondContact O-N 3.3Å; W243-G245 PolarHBondContact O-N 3.07Å; W243-S246 WeakPolarHBondContact O-CB 3.49Å; W243-S246 PolarHBondContact O-N 3.17Å; W243-A250 HydrophobicContact CE3-CB 4.46Å; W243-N253 HydrophobicContact CD2-CB 4.04Å; W243-N253 HydrophobicContact CE3-CB 3.46Å; W243-N253 VanDerWaalsContact CE3-CB 3.46Å; W243-N253 HydrophobicContact CH2-CB 4.2Å; W243-N253 HydrophobicContact CZ3-CB 3.54Å; W243-Y254 AromaticContact CH2-CD1 3.65Å; W243-Y254 HydrophobicContact CH2-CD1 3.65Å; W243-Y254 HydrophobicContact CH2-CD2 4.14Å; W243-Y254 AromaticContact CH2-CE1 3.47Å; W243-Y254 HydrophobicContact CH2-CE1 3.47Å; W243-Y254 VanDerWaalsContact CH2-CE1 3.47Å; W243-Y254 AromaticContact CH2-CE2 3.97Å; W243-Y254 HydrophobicContact CH2-CE2 3.97Å; W243-Y254 AromaticContact CH2-CG 3.98Å; W243-Y254 HydrophobicContact CH2-CG 3.98Å; W243-Y254 AromaticContact CH2-CZ 3.63Å; W243-Y254 HydrophobicContact CZ3-CD1 4.1Å; W243-Y254 AromaticContact CZ3-CD2 3.71Å; W243-Y254 HydrophobicContact CZ3-CD2 3.71Å; W243-Y254 AromaticContact CZ3-CE1 3.98Å; W243-Y254 HydrophobicContact CZ3-CE1 3.98Å; W243-Y254 AromaticContact CZ3-CE2 3.56Å; W243-Y254 HydrophobicContact CZ3-CE2 3.56Å; W243-Y254 AromaticContact CZ3-CG 3.97Å; W243-Y254 HydrophobicContact CZ3-CG 3.97Å; W243-Y254 AromaticContact CZ3-CZ 3.7Å; W243-W257 AromaticContact CH2-CE3 3.79Å; W243-W257 HydrophobicContact CH2-CE3 3.79Å; W243-W257 AromaticContact CH2-CZ3 3.98Å; W243-W257 HydrophobicContact CH2-CZ3 3.98Å; W243-W257 AromaticContact CZ2-CE3 3.7Å; W243-W257 HydrophobicContact CZ2-CE3 3.7Å; W243-W257 AromaticContact CZ2-CZ3 3.67Å; W243-W257 HydrophobicContact CZ2-CZ3 3.67Å
244	Q	95.6	Very high	96.3	Very high	75 Å²	75	41.9 Å²	41.9	35%	0.35	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.2	-178.6	67.7	178.4	-20.4	0	0	114.2	E240 R281	E240-Q244 HydrophobicContact CG-CB 4.19Å; E240-Q244 WeakPolarHBondContact O-CB 3.31Å; E240-Q244 WeakPolarHBondContact O-CG 3.32Å; E240-Q244 PolarHBondContact O-N 3.14Å; Q244-R281 PolarHBondContact O-NH2 3.3Å; Q244-R281 VanDerWaalsContact O-NH2 3.11Å
245	G	92.7	Very high	96.3	Very high	33 Å²	33	36.8 Å²	36.8	34%	0.34	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4	178.3	0	0	0	0	0	114.6	R41 W243 D247	R41-G245 PolarHBondContact NE-O 2.88Å; W243-G245 PolarHBondContact O-N 3.07Å; G245-D247 VanDerWaalsContact C-N 3.31Å; G245-D247 PolarHBondContact O-N 3.03Å; G245-D247 VanDerWaalsContact O-N 3.11Å
246	S	94.1	Very high	96.3	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.028	19%	0.189	C	C	.	.			trans	-78.9	83.7	169.6	171.9	0	0	0	0	107.9	W40 A213 W243 M248 L249 A250	W40-S246 WeakPolarHBondContact CB-OG 3.39Å; W40-S246 CarbonylContact O-C 3.58Å; W40-S246 WeakPolarHBondContact O-CA 3.19Å; W40-S246 WeakPolarHBondContact O-CB 3.3Å; W40-S246 PolarHBondContact O-OG 3.42Å; A213-S246 VanDerWaalsContact CB-CB 3.43Å; A213-S246 VanDerWaalsContact CB-OG 3.3Å; A213-S246 WeakPolarHBondContact CB-OG 3.25Å; W243-S246 WeakPolarHBondContact O-CB 3.49Å; W243-S246 PolarHBondContact O-N 3.17Å; S246-M248 PolarHBondContact O-N 3.22Å; S246-M248 VanDerWaalsContact O-N 3.12Å; S246-L249 PolarHBondContact O-N 3.36Å; S246-A250 WeakPolarHBondContact O-CA 3.45Å; S246-A250 WeakPolarHBondContact O-CB 3.37Å; S246-A250 PolarHBondContact O-N 3.37Å
247	D	91.3	Very high	96.4	Very high	61 Å²	61	36.9 Å²	36.9	33%	0.326	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.7	-171.2	61.2	-33.2	0	0	0	114.3	R41 N42 G245	R41-D247 WeakPolarHBondContact CA-OD1 3.35Å; N42-D247 WeakPolarHBondContact CB-OD2 3.33Å; N42-D247 PolarHBondContact N-OD1 3.38Å; N42-D247 PolarHBondContact ND2-OD2 3.39Å; G245-D247 VanDerWaalsContact C-N 3.31Å; G245-D247 PolarHBondContact O-N 3.03Å; G245-D247 VanDerWaalsContact O-N 3.11Å
248	M	94.1	Very high	96.4	Very high	52 Å²	52	32.2 Å²	32.2	26%	0.256	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.4	177	-53.5	173.3	68.3	0	0	114.6	W40 I49 S246	W40-M248 HydrophobicContact CB-CB 4.25Å; W40-M248 HydrophobicContact CE3-CB 3.98Å; W40-M248 HydrophobicContact CE3-CE 4.45Å; W40-M248 WeakPolarHBondContact O-CB 3.3Å; W40-M248 PolarHBondContact O-N 3.33Å; I49-M248 HydrophobicContact CD1-CE 4.02Å; I49-M248 HydrophobicContact CD1-SD 3.77Å; S246-M248 PolarHBondContact O-N 3.22Å; S246-M248 VanDerWaalsContact O-N 3.12Å
249	L	96.1	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-15.1	-176.1	-164.3	71	0	0	0	114.1	W40 A213 W214 H217 S246 S251 H252 N253 L289	W40-L249 HydrophobicContact CB-CB 3.9Å; W40-L249 HydrophobicContact CB-CD2 4.5Å; W40-L249 HydrophobicContact CD2-CB 4.48Å; W40-L249 HydrophobicContact CD2-CD1 4.44Å; W40-L249 HydrophobicContact CE3-CD1 4.47Å; W40-L249 HydrophobicContact CG-CB 4.24Å; W40-L249 HydrophobicContact CG-CD2 4.26Å; A213-L249 VanDerWaalsContact C-CD2 3.44Å; A213-L249 HydrophobicContact CB-CD2 3.85Å; A213-L249 WeakPolarHBondContact O-CD2 3.41Å; W214-L249 HydrophobicContact CB-CD2 4.22Å; W214-L249 HydrophobicContact CE3-CD1 3.82Å; W214-L249 HydrophobicContact CE3-CD2 3.74Å; W214-L249 HydrophobicContact CE3-CG 4.47Å; W214-L249 HydrophobicContact CZ3-CD1 3.83Å; H217-L249 HydrophobicContact CB-CD2 4.18Å; S246-L249 PolarHBondContact O-N 3.36Å; L249-S251 VanDerWaalsContact C-N 3.27Å; L249-S251 PolarHBondContact O-N 3.44Å; L249-H252 HydrophobicContact CD1-CB 4.19Å; L249-H252 WeakPolarHBondContact O-CB 3.04Å; L249-H252 PolarHBondContact O-N 3.18Å; L249-N253 PolarHBondContact O-N 3.32Å; L249-L289 HydrophobicContact CD1-CD2 4.01Å
250	A	97.2	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.9	-38.8	-176.6	0	0	0	0	0	112.2	W243 S246 H252 N253 Y254	W243-A250 HydrophobicContact CE3-CB 4.46Å; S246-A250 WeakPolarHBondContact O-CA 3.45Å; S246-A250 WeakPolarHBondContact O-CB 3.37Å; S246-A250 PolarHBondContact O-N 3.37Å; A250-H252 VanDerWaalsContact C-N 3.3Å; A250-H252 PolarHBondContact O-N 3.34Å; A250-N253 PolarHBondContact O-N 3.36Å; A250-Y254 WeakPolarHBondContact O-CD2 3.48Å; A250-Y254 PolarHBondContact O-N 3.48Å
251	S	97.6	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.9	-45.8	174.9	-168.3	0	0	0	0	111.4	L249 N253 Y254 W255 D290	L249-S251 VanDerWaalsContact C-N 3.27Å; L249-S251 PolarHBondContact O-N 3.44Å; S251-N253 PolarHBondContact O-N 2.9Å; S251-Y254 CarbonylContact O-C 3.34Å; S251-Y254 WeakPolarHBondContact O-CB 3.13Å; S251-Y254 PolarHBondContact O-N 3.15Å; S251-W255 PolarHBondContact O-N 3.42Å; S251-D290 WeakPolarHBondContact CB-OD1 3.48Å; S251-D290 PolarHBondContact OG-OD1 2.93Å
252	H	98.1	Very high	96.7	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.023	10%	0.095	C	C	.	.	H	α-helix	trans	-66.2	-37.3	178.8	-165	61.4	0	0	0	112.8	H217 L249 A250 W255 H256 L289 D293	H217-H252 AromaticContact CD2-CD2 3.52Å; H217-H252 AromaticContact CD2-NE2 3.78Å; H217-H252 AromaticContact CE1-NE2 3.96Å; H217-H252 AromaticContact NE2-CD2 3.39Å; H217-H252 PolarHBondContact NE2-CD2 3.32Å; H217-H252 AromaticContact NE2-NE2 3.2Å; H217-H252 PolarHBondContact NE2-NE2 2.73Å; L249-H252 HydrophobicContact CD1-CB 4.19Å; L249-H252 WeakPolarHBondContact O-CB 3.04Å; L249-H252 PolarHBondContact O-N 3.18Å; A250-H252 VanDerWaalsContact C-N 3.3Å; A250-H252 PolarHBondContact O-N 3.34Å; H252-W255 AromaticContact CE1-CE3 3.83Å; H252-W255 VanDerWaalsContact O-CB 3.28Å; H252-W255 WeakPolarHBondContact O-CB 3.19Å; H252-W255 PolarHBondContact O-N 2.91Å; H252-W255 VanDerWaalsContact O-N 3.15Å; H252-H256 AromaticContact CD2-CD2 3.84Å; H252-H256 AromaticContact CD2-NE2 3.76Å; H252-H256 AromaticContact CE1-NE2 3.82Å; H252-H256 AromaticContact NE2-CD2 3.69Å; H252-H256 AromaticContact NE2-NE2 3.17Å; H252-H256 PolarHBondContact NE2-NE2 2.97Å; H252-H256 VanDerWaalsContact NE2-NE2 3.17Å; H252-H256 PolarHBondContact O-CD2 2.96Å; H252-H256 VanDerWaalsContact O-CD2 3.28Å; H252-H256 PolarHBondContact O-N 2.81Å; H252-H256 VanDerWaalsContact O-N 3.07Å; H252-L289 HydrophobicContact CB-CD2 3.94Å; H252-L289 HydrophobicContact CB-CG 4.23Å; H252-D293 WeakPolarHBondContact CA-OD2 3.47Å; H252-D293 WeakPolarHBondContact CB-OD2 3.48Å; H252-D293 IonicContact CE1-OD1 2.8Å; H252-D293 PolarHBondContact CE1-OD1 3.47Å; H252-D293 IonicContact CG-OD2 3.73Å; H252-D293 VanDerWaalsContact ND1-CG 3.25Å; H252-D293 IonicContact ND1-OD1 3.94Å; H252-D293 PolarHBondContact ND1-OD1 2.97Å; H252-D293 IonicContact ND1-OD2 3.36Å; H252-D293 PolarHBondContact ND1-OD2 3.3Å
253	N	98.2	Very high	96.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.5	-42.1	172	-78.7	-8.5	0	0	0	111.8	A213 H217 M236 W243 L249 A250 S251 W255 H256 W257	A213-N253 PolarHBondContact O-ND2 3.01Å; H217-N253 WeakPolarHBondContact CA-OD1 3.12Å; H217-N253 VanDerWaalsContact CB-OD1 3.23Å; H217-N253 WeakPolarHBondContact CB-OD1 3.31Å; M236-N253 HydrophobicContact CE-CB 3.59Å; M236-N253 WeakPolarHBondContact CE-O 3.28Å; W243-N253 HydrophobicContact CD2-CB 4.04Å; W243-N253 HydrophobicContact CE3-CB 3.46Å; W243-N253 VanDerWaalsContact CE3-CB 3.46Å; W243-N253 HydrophobicContact CH2-CB 4.2Å; W243-N253 HydrophobicContact CZ3-CB 3.54Å; L249-N253 PolarHBondContact O-N 3.32Å; A250-N253 PolarHBondContact O-N 3.36Å; S251-N253 PolarHBondContact O-N 2.9Å; N253-W255 VanDerWaalsContact C-N 3.27Å; N253-W255 PolarHBondContact O-N 3.18Å; N253-H256 PolarHBondContact O-N 3.26Å; N253-W257 PolarHBondContact O-N 3.02Å; N253-W257 VanDerWaalsContact O-N 3.12Å
254	Y	98.5	Very high	96.8	Very high	6 Å²	6	19.3 Å²	19.3	2%	0.024	10%	0.098	C	C	.	.	H	α-helix	trans	-64.7	-30.7	171.3	-76.6	-64.1	0	0	0	112.7	E240 W243 A250 S251 W257 A258 I273 Q277	E240-Y254 VanDerWaalsContact OE1-CE1 3.3Å; E240-Y254 WeakPolarHBondContact OE1-CE1 3.44Å; E240-Y254 PolarHBondContact OE1-OH 3.35Å; W243-Y254 AromaticContact CH2-CD1 3.65Å; W243-Y254 HydrophobicContact CH2-CD1 3.65Å; W243-Y254 HydrophobicContact CH2-CD2 4.14Å; W243-Y254 AromaticContact CH2-CE1 3.47Å; W243-Y254 HydrophobicContact CH2-CE1 3.47Å; W243-Y254 VanDerWaalsContact CH2-CE1 3.47Å; W243-Y254 AromaticContact CH2-CE2 3.97Å; W243-Y254 HydrophobicContact CH2-CE2 3.97Å; W243-Y254 AromaticContact CH2-CG 3.98Å; W243-Y254 HydrophobicContact CH2-CG 3.98Å; W243-Y254 AromaticContact CH2-CZ 3.63Å; W243-Y254 HydrophobicContact CZ3-CD1 4.1Å; W243-Y254 AromaticContact CZ3-CD2 3.71Å; W243-Y254 HydrophobicContact CZ3-CD2 3.71Å; W243-Y254 AromaticContact CZ3-CE1 3.98Å; W243-Y254 HydrophobicContact CZ3-CE1 3.98Å; W243-Y254 AromaticContact CZ3-CE2 3.56Å; W243-Y254 HydrophobicContact CZ3-CE2 3.56Å; W243-Y254 AromaticContact CZ3-CG 3.97Å; W243-Y254 HydrophobicContact CZ3-CG 3.97Å; W243-Y254 AromaticContact CZ3-CZ 3.7Å; A250-Y254 WeakPolarHBondContact O-CD2 3.48Å; A250-Y254 PolarHBondContact O-N 3.48Å; S251-Y254 CarbonylContact O-C 3.34Å; S251-Y254 WeakPolarHBondContact O-CB 3.13Å; S251-Y254 PolarHBondContact O-N 3.15Å; Y254-W257 HydrophobicContact CD1-CE3 4.12Å; Y254-W257 HydrophobicContact CE1-CE3 4.18Å; Y254-W257 HydrophobicContact CE1-CZ3 4.23Å; Y254-W257 WeakPolarHBondContact O-CB 3.42Å; Y254-W257 PolarHBondContact O-N 2.99Å; Y254-A258 WeakPolarHBondContact O-CB 3.34Å; Y254-A258 PolarHBondContact O-N 2.71Å; Y254-I273 HydrophobicContact CD1-CG2 4.24Å; Y254-I273 HydrophobicContact CG-CG2 4.43Å; Y254-Q277 HydrophobicContact CD1-CB 4.14Å; Y254-Q277 HydrophobicContact CD1-CG 3.77Å; Y254-Q277 HydrophobicContact CD2-CB 3.59Å; Y254-Q277 HydrophobicContact CD2-CG 3.76Å; Y254-Q277 HydrophobicContact CE1-CG 3.81Å; Y254-Q277 HydrophobicContact CE2-CB 4.11Å; Y254-Q277 VanDerWaalsContact CE2-CD 3.45Å; Y254-Q277 HydrophobicContact CE2-CG 3.81Å; Y254-Q277 HydrophobicContact CG-CB 3.62Å; Y254-Q277 HydrophobicContact CG-CG 3.76Å
255	W	98.5	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.8	-49.9	173.9	178.5	93.3	0	0	0	111.5	S251 H252 N253 W257 A258 L259 I278 D293 M297 A412 Q413	S251-W255 PolarHBondContact O-N 3.42Å; H252-W255 AromaticContact CE1-CE3 3.83Å; H252-W255 VanDerWaalsContact O-CB 3.28Å; H252-W255 WeakPolarHBondContact O-CB 3.19Å; H252-W255 PolarHBondContact O-N 2.91Å; H252-W255 VanDerWaalsContact O-N 3.15Å; N253-W255 VanDerWaalsContact C-N 3.27Å; N253-W255 PolarHBondContact O-N 3.18Å; W255-W257 VanDerWaalsContact C-N 3.28Å; W255-W257 PolarHBondContact O-N 2.88Å; W255-A258 PolarHBondContact O-N 2.88Å; W255-A258 VanDerWaalsContact O-N 3.08Å; W255-L259 HydrophobicContact CD2-CD1 4.22Å; W255-L259 HydrophobicContact CD2-CG 4.18Å; W255-L259 HydrophobicContact CE3-CD1 3.87Å; W255-L259 HydrophobicContact CE3-CG 4.23Å; W255-L259 HydrophobicContact CH2-CD1 3.36Å; W255-L259 HydrophobicContact CH2-CG 4.26Å; W255-L259 HydrophobicContact CZ2-CD1 3.71Å; W255-L259 HydrophobicContact CZ2-CD2 4.14Å; W255-L259 HydrophobicContact CZ2-CG 4.19Å; W255-L259 HydrophobicContact CZ3-CD1 3.43Å; W255-L259 VanDerWaalsContact CZ3-CD1 3.43Å; W255-L259 HydrophobicContact CZ3-CG 4.26Å; W255-L259 WeakPolarHBondContact O-CG 3.25Å; W255-L259 PolarHBondContact O-N 3.45Å; W255-I278 HydrophobicContact CB-CD1 4.07Å; W255-D293 HydrophobicContact CB-CB 4.12Å; W255-D293 HydrophobicContact CG-CB 3.93Å; W255-D293 PolarHBondContact NE1-O 3.03Å; W255-M297 HydrophobicContact CG-CG 4.37Å; W255-A412 HydrophobicContact CH2-CB 4.23Å; W255-A412 HydrophobicContact CZ3-CB 4.24Å; W255-Q413 HydrophobicContact CH2-CB 4.49Å; W255-Q413 HydrophobicContact CH2-CG 3.76Å; W255-Q413 HydrophobicContact CZ2-CG 4.24Å; W255-Q413 HydrophobicContact CZ3-CG 4.26Å
256	H	98.3	Very high	97.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.7	-41.7	173.2	-80.9	-72.5	0	0	0	112.7	H217 A220 H221 E224 H252 N253 L259	H217-H256 AromaticContact CD2-CD2 3.48Å; H217-H256 PolarHBondContact CD2-CD2 3.13Å; H217-H256 VanDerWaalsContact CD2-CD2 3.48Å; H217-H256 AromaticContact CD2-NE2 3.29Å; H217-H256 PolarHBondContact CD2-NE2 3.21Å; H217-H256 VanDerWaalsContact CD2-NE2 3.29Å; H217-H256 AromaticContact NE2-CD2 3.84Å; H217-H256 AromaticContact NE2-NE2 3.14Å; H217-H256 PolarHBondContact NE2-NE2 3.07Å; H217-H256 VanDerWaalsContact NE2-NE2 3.14Å; A220-H256 HydrophobicContact CB-CB 4.38Å; H221-H256 AromaticContact CD2-CE1 3.36Å; H221-H256 PolarHBondContact CD2-CE1 2.82Å; H221-H256 AromaticContact CD2-NE2 3.76Å; H221-H256 AromaticContact CG-CE1 3.88Å; E224-H256 IonicContact OE2-CE1 2.9Å; E224-H256 PolarHBondContact OE2-CE1 3.3Å; E224-H256 IonicContact OE2-ND1 3.79Å; E224-H256 PolarHBondContact OE2-ND1 2.98Å; H252-H256 AromaticContact CD2-CD2 3.84Å; H252-H256 AromaticContact CD2-NE2 3.76Å; H252-H256 AromaticContact CE1-NE2 3.82Å; H252-H256 AromaticContact NE2-CD2 3.69Å; H252-H256 AromaticContact NE2-NE2 3.17Å; H252-H256 PolarHBondContact NE2-NE2 2.97Å; H252-H256 VanDerWaalsContact NE2-NE2 3.17Å; H252-H256 PolarHBondContact O-CD2 2.96Å; H252-H256 VanDerWaalsContact O-CD2 3.28Å; H252-H256 PolarHBondContact O-N 2.81Å; H252-H256 VanDerWaalsContact O-N 3.07Å; N253-H256 PolarHBondContact O-N 3.26Å; H256-L259 PolarHBondContact O-N 2.89Å
257	W	98	Very high	97.4	Very high	26 Å²	26	21.9 Å²	21.9	10%	0.098	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-46.4	175	-163	-20.5	0	0	0	111	M236 D237 E240 W243 N253 Y254 W255 L259 C260 F261 I273	M236-W257 HydrophobicContact CB-CD2 3.77Å; M236-W257 HydrophobicContact CB-CE3 3.65Å; M236-W257 HydrophobicContact CB-CG 4.21Å; M236-W257 HydrophobicContact CB-CZ3 4.13Å; D237-W257 VanDerWaalsContact CA-CH2 3.4Å; D237-W257 HydrophobicContact CB-CH2 3.8Å; D237-W257 HydrophobicContact CB-CZ2 3.74Å; E240-W257 HydrophobicContact CB-CZ3 4.29Å; E240-W257 HydrophobicContact CG-CZ3 4.17Å; W243-W257 AromaticContact CH2-CE3 3.79Å; W243-W257 HydrophobicContact CH2-CE3 3.79Å; W243-W257 AromaticContact CH2-CZ3 3.98Å; W243-W257 HydrophobicContact CH2-CZ3 3.98Å; W243-W257 AromaticContact CZ2-CE3 3.7Å; W243-W257 HydrophobicContact CZ2-CE3 3.7Å; W243-W257 AromaticContact CZ2-CZ3 3.67Å; W243-W257 HydrophobicContact CZ2-CZ3 3.67Å; N253-W257 PolarHBondContact O-N 3.02Å; N253-W257 VanDerWaalsContact O-N 3.12Å; Y254-W257 HydrophobicContact CD1-CE3 4.12Å; Y254-W257 HydrophobicContact CE1-CE3 4.18Å; Y254-W257 HydrophobicContact CE1-CZ3 4.23Å; Y254-W257 WeakPolarHBondContact O-CB 3.42Å; Y254-W257 PolarHBondContact O-N 2.99Å; W255-W257 VanDerWaalsContact C-N 3.28Å; W255-W257 PolarHBondContact O-N 2.88Å; W257-L259 VanDerWaalsContact C-N 3.31Å; W257-L259 PolarHBondContact O-N 3.45Å; W257-C260 VanDerWaalsContact O-CB 3.29Å; W257-C260 WeakPolarHBondContact O-CB 3.32Å; W257-C260 PolarHBondContact O-N 2.78Å; W257-C260 VanDerWaalsContact O-N 3.13Å; W257-F261 AromaticContact CD1-CE2 3.47Å; W257-F261 VanDerWaalsContact CD1-CE2 3.47Å; W257-F261 AromaticContact NE1-CE2 3.55Å; W257-F261 AromaticContact NE1-CZ 3.92Å; W257-F261 WeakPolarHBondContact O-CD2 3.34Å; W257-I273 HydrophobicContact CG-CD1 4.25Å
258	A	98.4	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-34.5	179.5	0	0	0	0	0	112.7	Y254 W255 C260 F261 I262 I273 I278 M297	Y254-A258 WeakPolarHBondContact O-CB 3.34Å; Y254-A258 PolarHBondContact O-N 2.71Å; W255-A258 PolarHBondContact O-N 2.88Å; W255-A258 VanDerWaalsContact O-N 3.08Å; A258-C260 PolarHBondContact O-N 3.17Å; A258-F261 WeakPolarHBondContact O-CB 3.39Å; A258-F261 PolarHBondContact O-N 2.97Å; A258-F261 VanDerWaalsContact O-N 3.1Å; A258-I262 PolarHBondContact O-N 3.43Å; A258-I273 HydrophobicContact CB-CB 4.04Å; A258-I273 HydrophobicContact CB-CD1 4.4Å; A258-I273 HydrophobicContact CB-CG2 3.85Å; A258-I278 HydrophobicContact CB-CD1 4.21Å; A258-M297 HydrophobicContact CB-CE 3.37Å; A258-M297 HydrophobicContact CB-SD 3.79Å
259	L	97.9	Very high	97.9	Very high	12 Å²	12	25 Å²	25	6%	0.063	12%	0.122	C	C	.	.	H	α-helix	trans	-58.2	-33.9	174.1	-71.6	-167	0	0	0	112.7	W255 H256 W257 F261 I262 E263 M297	W255-L259 HydrophobicContact CD2-CD1 4.22Å; W255-L259 HydrophobicContact CD2-CG 4.18Å; W255-L259 HydrophobicContact CE3-CD1 3.87Å; W255-L259 HydrophobicContact CE3-CG 4.23Å; W255-L259 HydrophobicContact CH2-CD1 3.36Å; W255-L259 HydrophobicContact CH2-CG 4.26Å; W255-L259 HydrophobicContact CZ2-CD1 3.71Å; W255-L259 HydrophobicContact CZ2-CD2 4.14Å; W255-L259 HydrophobicContact CZ2-CG 4.19Å; W255-L259 HydrophobicContact CZ3-CD1 3.43Å; W255-L259 VanDerWaalsContact CZ3-CD1 3.43Å; W255-L259 HydrophobicContact CZ3-CG 4.26Å; W255-L259 WeakPolarHBondContact O-CG 3.25Å; W255-L259 PolarHBondContact O-N 3.45Å; H256-L259 PolarHBondContact O-N 2.89Å; W257-L259 VanDerWaalsContact C-N 3.31Å; W257-L259 PolarHBondContact O-N 3.45Å; L259-F261 VanDerWaalsContact C-N 3.27Å; L259-F261 PolarHBondContact O-N 3.47Å; L259-I262 HydrophobicContact CD2-CD1 4.26Å; L259-I262 PolarHBondContact O-N 3.08Å; L259-E263 VanDerWaalsContact O-CB 3.28Å; L259-E263 WeakPolarHBondContact O-CB 3.36Å; L259-E263 PolarHBondContact O-N 2.77Å; L259-M297 HydrophobicContact CD2-SD 3.93Å
260	C	98	Very high	98	Very high	3 Å²	3	25 Å²	25	2%	0.02	12%	0.122	C	C	.	.	H	α-helix	trans	-62.5	-35.7	177.3	-67.4	0	0	0	0	112.5	V229 V232 L233 W257 A258 E263 R264	V229-C260 HydrophobicContact CG1-CB 3.68Å; V232-C260 WeakPolarHBondContact CB-SG 3.48Å; V232-C260 WeakPolarHBondContact CG1-SG 3.46Å; L233-C260 HydrophobicContact CD2-CB 3.6Å; L233-C260 HydrophobicContact CG-CB 3.93Å; W257-C260 VanDerWaalsContact O-CB 3.29Å; W257-C260 WeakPolarHBondContact O-CB 3.32Å; W257-C260 PolarHBondContact O-N 2.78Å; W257-C260 VanDerWaalsContact O-N 3.13Å; A258-C260 PolarHBondContact O-N 3.17Å; C260-E263 WeakPolarHBondContact O-CB 3.49Å; C260-E263 PolarHBondContact O-N 3.41Å; C260-R264 WeakPolarHBondContact O-CG 3.39Å; C260-R264 PolarHBondContact O-N 3.12Å; C260-R264 VanDerWaalsContact O-N 3.07Å
261	F	98.4	Very high	98.1	Very high	32 Å²	32	25.3 Å²	25.3	14%	0.14	12%	0.124	C	C	.	.	H	α-helix	trans	-72.3	-39.9	176.3	-67	-69.9	0	0	0	111.5	L233 W257 A258 L259 E263 R264 G265 E266 A269 A270 I273	L233-F261 HydrophobicContact CD2-CD2 4.49Å; L233-F261 HydrophobicContact CD2-CE1 4.34Å; L233-F261 HydrophobicContact CD2-CE2 3.91Å; L233-F261 HydrophobicContact CD2-CZ 3.83Å; W257-F261 AromaticContact CD1-CE2 3.47Å; W257-F261 VanDerWaalsContact CD1-CE2 3.47Å; W257-F261 AromaticContact NE1-CE2 3.55Å; W257-F261 AromaticContact NE1-CZ 3.92Å; W257-F261 WeakPolarHBondContact O-CD2 3.34Å; A258-F261 WeakPolarHBondContact O-CB 3.39Å; A258-F261 PolarHBondContact O-N 2.97Å; A258-F261 VanDerWaalsContact O-N 3.1Å; L259-F261 VanDerWaalsContact C-N 3.27Å; L259-F261 PolarHBondContact O-N 3.47Å; F261-E263 VanDerWaalsContact C-N 3.31Å; F261-E263 PolarHBondContact O-N 3.18Å; F261-R264 PolarHBondContact O-N 3.06Å; F261-G265 PolarHBondContact O-N 3.47Å; F261-E266 HydrophobicContact CB-CB 4.19Å; F261-E266 HydrophobicContact CD1-CB 3.99Å; F261-E266 VanDerWaalsContact CD1-OE2 3.22Å; F261-E266 WeakPolarHBondContact CD1-OE2 3.16Å; F261-E266 PolarHBondContact O-N 3Å; F261-A269 HydrophobicContact CB-CB 4.24Å; F261-A269 HydrophobicContact CD1-CB 3.54Å; F261-A269 HydrophobicContact CD2-CB 4.34Å; F261-A269 HydrophobicContact CE1-CB 3.89Å; F261-A269 HydrophobicContact CG-CB 3.79Å; F261-A269 HydrophobicContact CZ-CB 4.43Å; F261-A270 HydrophobicContact CB-CB 3.86Å; F261-I273 HydrophobicContact CD2-CD1 3.76Å; F261-I273 HydrophobicContact CE2-CD1 3.49Å; F261-I273 VanDerWaalsContact CE2-CD1 3.49Å
262	I	98.2	Very high	98.2	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-45	170.7	-60.2	-179.4	0	0	0	110.2	A258 L259 R264 G265 A270 M297 R300 L301 R456	A258-I262 PolarHBondContact O-N 3.43Å; L259-I262 HydrophobicContact CD2-CD1 4.26Å; L259-I262 PolarHBondContact O-N 3.08Å; I262-R264 PolarHBondContact O-N 3.06Å; I262-G265 PolarHBondContact O-N 3.38Å; I262-A270 HydrophobicContact CG1-CB 3.72Å; I262-M297 HydrophobicContact CD1-CE 3.84Å; I262-M297 HydrophobicContact CD1-SD 3.62Å; I262-R300 HydrophobicContact CD1-CB 4Å; I262-L301 HydrophobicContact CD1-CD2 3.91Å; I262-L301 HydrophobicContact CD1-CG 3.81Å; I262-L301 HydrophobicContact CG1-CD2 3.81Å; I262-L301 HydrophobicContact CG1-CG 4.29Å; I262-R456 PolarHBondContact O-NH2 3.42Å
263	E	97.1	Very high	98.2	Very high	13 Å²	13	32.6 Å²	32.6	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-56.9	-36.6	178.4	-172.9	66.9	-149.6	0	0	110.8	V229 L259 C260 F261 R448 S451 P452 L453 R456	V229-E263 HydrophobicContact CG2-CB 4.33Å; V229-E263 HydrophobicContact CG2-CG 3.62Å; L259-E263 VanDerWaalsContact O-CB 3.28Å; L259-E263 WeakPolarHBondContact O-CB 3.36Å; L259-E263 PolarHBondContact O-N 2.77Å; C260-E263 WeakPolarHBondContact O-CB 3.49Å; C260-E263 PolarHBondContact O-N 3.41Å; F261-E263 VanDerWaalsContact C-N 3.31Å; F261-E263 PolarHBondContact O-N 3.18Å; E263-R448 IonicContact OE2-NH2 3.5Å; E263-S451 WeakPolarHBondContact OE1-CA 3.47Å; E263-S451 WeakPolarHBondContact OE1-CB 3.38Å; E263-S451 PolarHBondContact OE1-OG 3.15Å; E263-P452 WeakPolarHBondContact O-CB 3.47Å; E263-P452 VanDerWaalsContact OE1-CD 3.25Å; E263-P452 WeakPolarHBondContact OE1-CD 3.42Å; E263-L453 VanDerWaalsContact CD-CB 3.48Å; E263-L453 PolarHBondContact O-N 3.12Å; E263-L453 WeakPolarHBondContact OE1-CB 3.36Å; E263-L453 PolarHBondContact OE1-N 3.33Å; E263-L453 WeakPolarHBondContact OE2-CB 3.41Å; E263-R456 PolarHBondContact O-NH1 3.38Å; E263-R456 PolarHBondContact O-NH2 3.33Å
264	R	96.9	Very high	98.2	Very high	79 Å²	79	32.6 Å²	32.6	30%	0.298	16%	0.158	S	C	.	.	H	α-helix	trans	-82.9	-13.7	174.6	-70.9	-178.4	177.7	-170.8	-4.4	116.1	V229 D230 L233 C260 F261 I262 E266	V229-R264 HydrophobicContact CG1-CG 4.1Å; D230-R264 IonicContact OD1-CZ 3.96Å; D230-R264 IonicContact OD1-NH2 3.45Å; D230-R264 PolarHBondContact OD1-NH2 3.49Å; D230-R264 IonicContact OD2-NH2 2.88Å; D230-R264 PolarHBondContact OD2-NH2 3.39Å; L233-R264 VanDerWaalsContact CD1-NH1 3.31Å; C260-R264 WeakPolarHBondContact O-CG 3.39Å; C260-R264 PolarHBondContact O-N 3.12Å; C260-R264 VanDerWaalsContact O-N 3.07Å; F261-R264 PolarHBondContact O-N 3.06Å; I262-R264 PolarHBondContact O-N 3.06Å; R264-E266 VanDerWaalsContact C-N 3.34Å; R264-E266 HydrophobicContact CB-CB 4.46Å; R264-E266 HydrophobicContact CB-CG 3.92Å; R264-E266 WeakPolarHBondContact CD-OE1 3.39Å
265	G	97.6	Very high	98.2	Very high	26 Å²	26	35.3 Å²	35.3	27%	0.268	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	15.2	-170.9	0	0	0	0	0	113.8	F261 I262 Y267	F261-G265 PolarHBondContact O-N 3.47Å; I262-G265 PolarHBondContact O-N 3.38Å; G265-Y267 VanDerWaalsContact C-N 3.27Å; G265-Y267 PolarHBondContact O-N 2.95Å; G265-Y267 VanDerWaalsContact O-N 3.15Å
266	E	98.3	Very high	98.2	Very high	84 Å²	84	37.9 Å²	37.9	39%	0.393	19%	0.191	S	C	.	.			trans	-87.5	60.5	178.1	-66.4	174.2	-153.6	0	0	110.2	F261 R264 E268 A269 A270	F261-E266 HydrophobicContact CB-CB 4.19Å; F261-E266 HydrophobicContact CD1-CB 3.99Å; F261-E266 VanDerWaalsContact CD1-OE2 3.22Å; F261-E266 WeakPolarHBondContact CD1-OE2 3.16Å; F261-E266 PolarHBondContact O-N 3Å; R264-E266 VanDerWaalsContact C-N 3.34Å; R264-E266 HydrophobicContact CB-CB 4.46Å; R264-E266 HydrophobicContact CB-CG 3.92Å; R264-E266 WeakPolarHBondContact CD-OE1 3.39Å; E266-E268 VanDerWaalsContact C-N 3.34Å; E266-E268 PolarHBondContact O-N 3.46Å; E266-A269 HydrophobicContact CB-CB 4.46Å; E266-A269 PolarHBondContact O-N 2.94Å; E266-A270 PolarHBondContact O-N 2.6Å
267	Y	98.5	Very high	98.1	Very high	56 Å²	56	40 Å²	40	22%	0.22	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-31.4	-165.9	-49.9	-54.9	0	0	0	114.8	G265 A270 L271 L301 E304 V306	G265-Y267 VanDerWaalsContact C-N 3.27Å; G265-Y267 PolarHBondContact O-N 2.95Å; G265-Y267 VanDerWaalsContact O-N 3.15Å; Y267-A270 WeakPolarHBondContact O-CB 3.49Å; Y267-A270 PolarHBondContact O-N 3.43Å; Y267-L271 WeakPolarHBondContact O-CG 3.42Å; Y267-L271 PolarHBondContact O-N 2.52Å; Y267-L301 HydrophobicContact CD1-CD2 4.03Å; Y267-L301 HydrophobicContact CG-CD2 4.47Å; Y267-E304 HydrophobicContact CE1-CB 3.77Å; Y267-E304 HydrophobicContact CE1-CG 4.01Å; Y267-E304 PolarHBondContact OH-OE2 3.39Å; Y267-V306 HydrophobicContact CD1-CG2 3.96Å; Y267-V306 HydrophobicContact CD2-CG2 3.68Å; Y267-V306 HydrophobicContact CE2-CG2 4.33Å; Y267-V306 HydrophobicContact CG-CG2 3.47Å; Y267-V306 VanDerWaalsContact CG-CG2 3.47Å
268	E	98.4	Very high	98.1	Very high	149 Å²	149	38.7 Å²	38.7	70%	0.696	20%	0.196	S	C	*	.	H	α-helix	trans	-68	-36.4	177.3	-66.8	-59.2	166.6	0	0	112.5	E266 A270 L271 Q272	E266-E268 VanDerWaalsContact C-N 3.34Å; E266-E268 PolarHBondContact O-N 3.46Å; E268-A270 VanDerWaalsContact C-N 3.35Å; E268-L271 PolarHBondContact O-N 3.02Å; E268-Q272 WeakPolarHBondContact O-CB 3.43Å; E268-Q272 PolarHBondContact O-N 3.36Å
269	A	98.4	Very high	98.1	Very high	29 Å²	29	39.7 Å²	39.7	24%	0.24	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-40.3	174	0	0	0	0	0	111	F261 E266 Q272 I273	F261-A269 HydrophobicContact CB-CB 4.24Å; F261-A269 HydrophobicContact CD1-CB 3.54Å; F261-A269 HydrophobicContact CD2-CB 4.34Å; F261-A269 HydrophobicContact CE1-CB 3.89Å; F261-A269 HydrophobicContact CG-CB 3.79Å; F261-A269 HydrophobicContact CZ-CB 4.43Å; E266-A269 HydrophobicContact CB-CB 4.46Å; E266-A269 PolarHBondContact O-N 2.94Å; A269-Q272 PolarHBondContact O-N 2.88Å; A269-I273 PolarHBondContact O-N 3.02Å
270	A	98.6	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-44.6	173.4	0	0	0	0	0	112	F261 I262 E266 Y267 E268 I273 Y274 M297 L301	F261-A270 HydrophobicContact CB-CB 3.86Å; I262-A270 HydrophobicContact CG1-CB 3.72Å; E266-A270 PolarHBondContact O-N 2.6Å; Y267-A270 WeakPolarHBondContact O-CB 3.49Å; Y267-A270 PolarHBondContact O-N 3.43Å; E268-A270 VanDerWaalsContact C-N 3.35Å; A270-I273 PolarHBondContact O-N 3.46Å; A270-Y274 PolarHBondContact O-N 3.29Å; A270-M297 HydrophobicContact CB-CE 4.18Å; A270-L301 HydrophobicContact CB-CD2 4.22Å
271	L	98.7	Very high	98	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-38.5	176.7	-76.9	173.3	0	0	0	112.5	Y267 E268 I273 Y274 D275 L301 V306 V308	Y267-L271 WeakPolarHBondContact O-CG 3.42Å; Y267-L271 PolarHBondContact O-N 2.52Å; E268-L271 PolarHBondContact O-N 3.02Å; L271-I273 VanDerWaalsContact C-N 3.33Å; L271-I273 PolarHBondContact O-N 2.93Å; L271-Y274 WeakPolarHBondContact O-CB 3.35Å; L271-Y274 PolarHBondContact O-N 3.01Å; L271-D275 PolarHBondContact O-N 3.19Å; L271-L301 HydrophobicContact CD2-CD1 3.62Å; L271-L301 HydrophobicContact CG-CD1 4.12Å; L271-V306 HydrophobicContact CD1-CG1 3.84Å; L271-V308 HydrophobicContact CD2-CG1 4.23Å
272	Q	98.5	Very high	97.8	Very high	136 Å²	136	47 Å²	47	64%	0.636	23%	0.23	S	C	*	.	H	α-helix	trans	-60.5	-42.8	175.9	-176.1	179.1	-2.1	0	0	111.8	E268 A269 S276	E268-Q272 WeakPolarHBondContact O-CB 3.43Å; E268-Q272 PolarHBondContact O-N 3.36Å; A269-Q272 PolarHBondContact O-N 2.88Å; Q272-S276 VanDerWaalsContact O-CB 3.28Å; Q272-S276 WeakPolarHBondContact O-CB 3.28Å; Q272-S276 PolarHBondContact O-N 3.41Å; Q272-S276 PolarHBondContact O-OG 3.33Å
273	I	98.4	Very high	97.7	Very high	21 Å²	21	53.7 Å²	53.7	11%	0.108	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-41.9	175.3	-64.8	175.9	0	0	0	110.6	Y254 W257 A258 F261 A269 A270 L271 D275 Q277 I278	Y254-I273 HydrophobicContact CD1-CG2 4.24Å; Y254-I273 HydrophobicContact CG-CG2 4.43Å; W257-I273 HydrophobicContact CG-CD1 4.25Å; A258-I273 HydrophobicContact CB-CB 4.04Å; A258-I273 HydrophobicContact CB-CD1 4.4Å; A258-I273 HydrophobicContact CB-CG2 3.85Å; F261-I273 HydrophobicContact CD2-CD1 3.76Å; F261-I273 HydrophobicContact CE2-CD1 3.49Å; F261-I273 VanDerWaalsContact CE2-CD1 3.49Å; A269-I273 PolarHBondContact O-N 3.02Å; A270-I273 PolarHBondContact O-N 3.46Å; L271-I273 VanDerWaalsContact C-N 3.33Å; L271-I273 PolarHBondContact O-N 2.93Å; I273-D275 PolarHBondContact O-N 3.19Å; I273-Q277 HydrophobicContact CG2-CB 4.32Å; I273-Q277 WeakPolarHBondContact O-CB 3.42Å; I273-Q277 PolarHBondContact O-N 3.2Å; I273-I278 HydrophobicContact CG2-CD1 4.37Å; I273-I278 HydrophobicContact CG2-CG1 4.42Å; I273-I278 PolarHBondContact O-N 3.13Å
274	Y	98.7	Very high	97.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	I	π-helix	trans	-53.9	-52.3	175.1	175.3	-85.7	0	0	0	111.3	A270 L271 I278 F279 A294 M297 L298 R311	A270-Y274 PolarHBondContact O-N 3.29Å; L271-Y274 WeakPolarHBondContact O-CB 3.35Å; L271-Y274 PolarHBondContact O-N 3.01Å; Y274-I278 PolarHBondContact O-N 3.23Å; Y274-F279 HydrophobicContact CD1-CB 4.19Å; Y274-F279 HydrophobicContact CE1-CB 3.65Å; Y274-F279 HydrophobicContact CE1-CG 4.07Å; Y274-F279 HydrophobicContact CE2-CB 4.47Å; Y274-F279 WeakPolarHBondContact O-CB 3.41Å; Y274-F279 PolarHBondContact O-N 3.21Å; Y274-A294 HydrophobicContact CE2-CB 3.87Å; Y274-M297 HydrophobicContact CD2-CB 3.82Å; Y274-M297 HydrophobicContact CE2-CB 4.32Å; Y274-L298 HydrophobicContact CD1-CD2 4.26Å; Y274-L298 HydrophobicContact CD2-CD2 4.04Å; Y274-L298 HydrophobicContact CD2-CG 4.43Å; Y274-L298 HydrophobicContact CE1-CD2 3.89Å; Y274-L298 HydrophobicContact CE2-CD1 4.3Å; Y274-L298 HydrophobicContact CE2-CD2 3.59Å; Y274-L298 HydrophobicContact CE2-CG 3.62Å; Y274-L298 HydrophobicContact CG-CD2 4.36Å; Y274-L298 WeakPolarHBondContact OH-CD1 3.27Å; Y274-R311 HydrophobicContact CE1-CB 4.17Å; Y274-R311 HydrophobicContact CE1-CG 4.08Å
275	D	98.4	Very high	97.2	Very high	64 Å²	64	56.7 Å²	56.7	34%	0.342	30%	0.299	S	S	.	.	I	π-helix	trans	-69.8	-44.1	-175.8	-65.1	-30.1	0	0	0	112.2	L271 I273 R311	L271-D275 PolarHBondContact O-N 3.19Å; I273-D275 PolarHBondContact O-N 3.19Å; D275-R311 IonicContact OD1-CZ 2.83Å; D275-R311 IonicContact OD1-NE 2.91Å; D275-R311 PolarHBondContact OD1-NE 3.21Å; D275-R311 IonicContact OD1-NH2 3.82Å; D275-R311 PolarHBondContact OD1-NH2 2.99Å; D275-R311 IonicContact OD2-CZ 3.19Å; D275-R311 IonicContact OD2-NE 3.43Å; D275-R311 IonicContact OD2-NH2 2.66Å; D275-R311 PolarHBondContact OD2-NH2 2.96Å
276	S	97.9	Very high	96.9	Very high	53 Å²	53	56.7 Å²	56.7	37%	0.371	30%	0.299	S	S	.	.	I	π-helix	trans	-82.8	-27.4	-171	63.6	0	0	0	0	114.2	Q272 K280	Q272-S276 VanDerWaalsContact O-CB 3.28Å; Q272-S276 WeakPolarHBondContact O-CB 3.28Å; Q272-S276 PolarHBondContact O-N 3.41Å; Q272-S276 PolarHBondContact O-OG 3.33Å; S276-K280 WeakPolarHBondContact O-CD 3.26Å
277	Q	97.7	Very high	96.7	Very high	44 Å²	44	54.3 Å²	54.3	21%	0.206	29%	0.293	C	S	.	.	I	π-helix	trans	-119.7	-60.6	-174.6	-61	-64.9	-15.6	0	0	112	Y254 I273 R281	Y254-Q277 HydrophobicContact CD1-CB 4.14Å; Y254-Q277 HydrophobicContact CD1-CG 3.77Å; Y254-Q277 HydrophobicContact CD2-CB 3.59Å; Y254-Q277 HydrophobicContact CD2-CG 3.76Å; Y254-Q277 HydrophobicContact CE1-CG 3.81Å; Y254-Q277 HydrophobicContact CE2-CB 4.11Å; Y254-Q277 VanDerWaalsContact CE2-CD 3.45Å; Y254-Q277 HydrophobicContact CE2-CG 3.81Å; Y254-Q277 HydrophobicContact CG-CB 3.62Å; Y254-Q277 HydrophobicContact CG-CG 3.76Å; I273-Q277 HydrophobicContact CG2-CB 4.32Å; I273-Q277 WeakPolarHBondContact O-CB 3.42Å; I273-Q277 PolarHBondContact O-N 3.2Å; Q277-R281 VanDerWaalsContact O-CB 3.28Å; Q277-R281 WeakPolarHBondContact O-CB 3.29Å; Q277-R281 VanDerWaalsContact O-CD 3.3Å; Q277-R281 WeakPolarHBondContact O-CD 3.4Å; Q277-R281 WeakPolarHBondContact O-CG 3.34Å; Q277-R281 PolarHBondContact O-N 3.12Å; Q277-R281 VanDerWaalsContact O-N 3.08Å
278	I	98.1	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	I	π-helix	trans	-69.2	-59.1	-168.3	-56.2	174.2	0	0	0	110.8	W255 A258 I273 Y274 K280 R281 C282 D293 A294 M297	W255-I278 HydrophobicContact CB-CD1 4.07Å; A258-I278 HydrophobicContact CB-CD1 4.21Å; I273-I278 HydrophobicContact CG2-CD1 4.37Å; I273-I278 HydrophobicContact CG2-CG1 4.42Å; I273-I278 PolarHBondContact O-N 3.13Å; Y274-I278 PolarHBondContact O-N 3.23Å; I278-K280 PolarHBondContact O-N 3.42Å; I278-R281 PolarHBondContact O-N 2.91Å; I278-C282 VanDerWaalsContact O-CB 3.32Å; I278-C282 WeakPolarHBondContact O-CB 3.42Å; I278-C282 PolarHBondContact O-N 3.28Å; I278-D293 HydrophobicContact CG2-CB 4.19Å; I278-A294 HydrophobicContact CG2-CB 4.08Å; I278-M297 HydrophobicContact CD1-CE 4.47Å; I278-M297 HydrophobicContact CD1-CG 3.9Å
279	F	97.7	Very high	96.5	Very high	20 Å²	20	46.9 Å²	46.9	9%	0.088	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-37.3	-176.7	-174.2	-120.4	0	0	0	112.3	Y274 R281 C282 K283 E314 L315 V318	Y274-F279 HydrophobicContact CD1-CB 4.19Å; Y274-F279 HydrophobicContact CE1-CB 3.65Å; Y274-F279 HydrophobicContact CE1-CG 4.07Å; Y274-F279 HydrophobicContact CE2-CB 4.47Å; Y274-F279 WeakPolarHBondContact O-CB 3.41Å; Y274-F279 PolarHBondContact O-N 3.21Å; F279-R281 VanDerWaalsContact C-N 3.33Å; F279-R281 PolarHBondContact O-N 3.44Å; F279-C282 PolarHBondContact O-N 3.16Å; F279-K283 WeakPolarHBondContact O-CB 3.13Å; F279-K283 PolarHBondContact O-N 3.2Å; F279-E314 HydrophobicContact CE1-CB 3.91Å; F279-E314 HydrophobicContact CE2-CB 4.46Å; F279-E314 HydrophobicContact CZ-CB 3.56Å; F279-L315 HydrophobicContact CD2-CD1 4.21Å; F279-L315 HydrophobicContact CE2-CB 4.3Å; F279-L315 HydrophobicContact CE2-CD1 3.98Å; F279-V318 HydrophobicContact CE2-CG2 4.47Å
280	K	96.9	Very high	96.5	Very high	144 Å²	144	45.6 Å²	45.6	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-57.3	-45.4	174.3	-177.6	-175.1	175.1	-172.4	0	111.7	S276 I278 A284	S276-K280 WeakPolarHBondContact O-CD 3.26Å; I278-K280 PolarHBondContact O-N 3.42Å; K280-A284 WeakPolarHBondContact O-CB 3.36Å; K280-A284 PolarHBondContact O-N 3.36Å
281	R	96	Very high	96.4	Very high	56 Å²	56	45.6 Å²	45.6	21%	0.211	25%	0.251	C	S	.	.	H	α-helix	trans	-70.9	-46.7	178.5	-71.7	169.2	-177.1	-85.2	6.8	111.1	Q244 Q277 I278 F279 K283 A284 S285	Q244-R281 PolarHBondContact O-NH2 3.3Å; Q244-R281 VanDerWaalsContact O-NH2 3.11Å; Q277-R281 VanDerWaalsContact O-CB 3.28Å; Q277-R281 WeakPolarHBondContact O-CB 3.29Å; Q277-R281 VanDerWaalsContact O-CD 3.3Å; Q277-R281 WeakPolarHBondContact O-CD 3.4Å; Q277-R281 WeakPolarHBondContact O-CG 3.34Å; Q277-R281 PolarHBondContact O-N 3.12Å; Q277-R281 VanDerWaalsContact O-N 3.08Å; I278-R281 PolarHBondContact O-N 2.91Å; F279-R281 VanDerWaalsContact C-N 3.33Å; F279-R281 PolarHBondContact O-N 3.44Å; R281-K283 VanDerWaalsContact C-N 3.28Å; R281-K283 PolarHBondContact O-N 3.47Å; R281-A284 PolarHBondContact O-N 3.04Å; R281-S285 WeakPolarHBondContact O-CB 3.45Å; R281-S285 PolarHBondContact O-N 3.3Å; R281-S285 PolarHBondContact O-OG 2.88Å
282	C	95.9	Very high	96.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-49.3	-47.4	173.8	169.1	0	0	0	0	112.5	I278 F279 A284 G286 D290	I278-C282 VanDerWaalsContact O-CB 3.32Å; I278-C282 WeakPolarHBondContact O-CB 3.42Å; I278-C282 PolarHBondContact O-N 3.28Å; F279-C282 PolarHBondContact O-N 3.16Å; C282-A284 VanDerWaalsContact C-N 3.34Å; C282-A284 PolarHBondContact O-N 3.47Å; C282-G286 WeakPolarHBondContact O-CA 3.41Å; C282-G286 PolarHBondContact O-N 3.31Å; C282-D290 HydrophobicContact CB-CB 3.83Å
283	K	94.4	Very high	96.4	Very high	146 Å²	146	39 Å²	39	64%	0.635	22%	0.22	S	C	*	.	H	α-helix	trans	-68.8	-31.1	179	-172.1	175.4	-178.4	174.6	0	113.3	F279 R281	F279-K283 WeakPolarHBondContact O-CB 3.13Å; F279-K283 PolarHBondContact O-N 3.2Å; R281-K283 VanDerWaalsContact C-N 3.28Å; R281-K283 PolarHBondContact O-N 3.47Å
284	A	93.3	Very high	96.4	Very high	91 Å²	91	38 Å²	38	75%	0.752	22%	0.215	S	C	*	.	H	α-helix	trans	-81.9	-40.7	-178.3	0	0	0	0	0	112.6	K280 R281 C282	K280-A284 WeakPolarHBondContact O-CB 3.36Å; K280-A284 PolarHBondContact O-N 3.36Å; R281-A284 PolarHBondContact O-N 3.04Å; C282-A284 VanDerWaalsContact C-N 3.34Å; C282-A284 PolarHBondContact O-N 3.47Å
285	S	91.1	Very high	96.4	Very high	64 Å²	64	38 Å²	38	45%	0.448	22%	0.215	S	C	.	.	H	α-helix	trans	-88.7	-37.9	-174.9	68.1	0	0	0	0	112.8	R281 A287 D290	R281-S285 WeakPolarHBondContact O-CB 3.45Å; R281-S285 PolarHBondContact O-N 3.3Å; R281-S285 PolarHBondContact O-OG 2.88Å; S285-A287 PolarHBondContact O-N 2.73Å; S285-A287 WeakPolarHBondContact OG-CB 3.45Å; S285-A287 PolarHBondContact OG-N 2.81Å; S285-D290 PolarHBondContact OG-OD2 3.28Å
286	G	90.2	Very high	96.4	Very high	26 Å²	26	35 Å²	35	27%	0.268	20%	0.199	S	C	.	.			trans	61.8	14.5	-164.7	0	0	0	0	0	113.5	C282	C282-G286 WeakPolarHBondContact O-CA 3.41Å; C282-G286 PolarHBondContact O-N 3.31Å
287	A	94.1	Very high	96.4	Very high	34 Å²	34	32.5 Å²	32.5	28%	0.281	18%	0.182	S	C	.	.			trans	-69.1	136.9	-178.5	0	0	0	0	0	110.3	S285 L289 D290 I291	S285-A287 PolarHBondContact O-N 2.73Å; S285-A287 WeakPolarHBondContact OG-CB 3.45Å; S285-A287 PolarHBondContact OG-N 2.81Å; A287-L289 VanDerWaalsContact C-N 3.27Å; A287-L289 PolarHBondContact O-N 3Å; A287-D290 PolarHBondContact O-N 3.29Å; A287-D290 VanDerWaalsContact O-N 3.09Å; A287-I291 WeakPolarHBondContact O-CG1 3.44Å; A287-I291 PolarHBondContact O-N 2.76Å; A287-I291 VanDerWaalsContact O-N 3.13Å
288	M	96.3	Very high	96.5	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.039	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-34.8	-173.2	-162.6	51.9	65.7	0	0	113	A77 T78 T79 I291 V292 N331 F335	A77-M288 WeakPolarHBondContact O-CB 3.42Å; T78-M288 WeakPolarHBondContact OG1-CG 3.44Å; T79-M288 HydrophobicContact CG2-CE 4.41Å; M288-I291 HydrophobicContact CE-CD1 4.33Å; M288-I291 PolarHBondContact O-N 2.73Å; M288-I291 HydrophobicContact SD-CB 4.4Å; M288-I291 HydrophobicContact SD-CD1 4.19Å; M288-V292 WeakPolarHBondContact O-CG2 3.43Å; M288-V292 PolarHBondContact O-N 2.92Å; M288-N331 VanDerWaalsContact CG-ND2 3.26Å; M288-N331 WeakPolarHBondContact CG-ND2 3.13Å; M288-N331 HydrophobicContact SD-CB 4.42Å; M288-F335 HydrophobicContact CE-CE1 4.38Å; M288-F335 HydrophobicContact CE-CZ 3.7Å; M288-F335 HydrophobicContact SD-CE1 3.66Å; M288-F335 HydrophobicContact SD-CZ 3.38Å; M288-F335 WeakPolarHBondContact SD-CZ 3.46Å
289	L	97.1	Very high	96.5	Very high	41 Å²	41	30.9 Å²	30.9	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-44.5	174.7	-175.7	58.4	0	0	0	112	L249 H252 A287 I291 V292 D293	L249-L289 HydrophobicContact CD1-CD2 4.01Å; H252-L289 HydrophobicContact CB-CD2 3.94Å; H252-L289 HydrophobicContact CB-CG 4.23Å; A287-L289 VanDerWaalsContact C-N 3.27Å; A287-L289 PolarHBondContact O-N 3Å; L289-I291 VanDerWaalsContact C-N 3.29Å; L289-I291 PolarHBondContact O-N 3.19Å; L289-V292 HydrophobicContact CD1-CG2 4.23Å; L289-V292 WeakPolarHBondContact O-CG2 3.32Å; L289-V292 PolarHBondContact O-N 2.9Å; L289-D293 WeakPolarHBondContact O-CB 3.41Å; L289-D293 PolarHBondContact O-N 3.12Å
290	D	97.8	Very high	96.5	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.011	17%	0.171	C	C	.	.	H	α-helix	trans	-65.3	-36	178.5	-63.2	-10.4	0	0	0	111.5	S251 C282 S285 A287 A294	S251-D290 WeakPolarHBondContact CB-OD1 3.48Å; S251-D290 PolarHBondContact OG-OD1 2.93Å; C282-D290 HydrophobicContact CB-CB 3.83Å; S285-D290 PolarHBondContact OG-OD2 3.28Å; A287-D290 PolarHBondContact O-N 3.29Å; A287-D290 VanDerWaalsContact O-N 3.09Å; D290-A294 WeakPolarHBondContact O-CB 3.28Å; D290-A294 PolarHBondContact O-N 2.93Å; D290-A294 VanDerWaalsContact O-N 3.08Å
291	I	98.3	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-52.5	177.7	-64.9	168.5	0	0	0	110.2	A287 M288 L289 D293 A294 C295 V318 T319 F335	A287-I291 WeakPolarHBondContact O-CG1 3.44Å; A287-I291 PolarHBondContact O-N 2.76Å; A287-I291 VanDerWaalsContact O-N 3.13Å; M288-I291 HydrophobicContact CE-CD1 4.33Å; M288-I291 PolarHBondContact O-N 2.73Å; M288-I291 HydrophobicContact SD-CB 4.4Å; M288-I291 HydrophobicContact SD-CD1 4.19Å; L289-I291 VanDerWaalsContact C-N 3.29Å; L289-I291 PolarHBondContact O-N 3.19Å; I291-D293 VanDerWaalsContact C-N 3.28Å; I291-D293 PolarHBondContact O-N 3.31Å; I291-A294 WeakPolarHBondContact O-CB 3.22Å; I291-A294 PolarHBondContact O-N 3.35Å; I291-C295 PolarHBondContact O-N 3.47Å; I291-C295 PolarHBondContact O-SG 3.01Å; I291-V318 HydrophobicContact CD1-CG1 3.84Å; I291-V318 HydrophobicContact CG1-CG1 3.86Å; I291-T319 HydrophobicContact CG2-CG2 3.66Å; I291-F335 HydrophobicContact CG2-CD1 4.37Å; I291-F335 HydrophobicContact CG2-CE1 3.88Å
292	V	98.2	Very high	96.7	Very high	4 Å²	4	24 Å²	24	2%	0.024	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-33.9	-178.9	-61.4	0	0	0	0	112	M288 L289 C295 S296 F330 H334	M288-V292 WeakPolarHBondContact O-CG2 3.43Å; M288-V292 PolarHBondContact O-N 2.92Å; L289-V292 HydrophobicContact CD1-CG2 4.23Å; L289-V292 WeakPolarHBondContact O-CG2 3.32Å; L289-V292 PolarHBondContact O-N 2.9Å; V292-C295 PolarHBondContact O-N 3.29Å; V292-S296 VanDerWaalsContact O-CB 3.25Å; V292-S296 WeakPolarHBondContact O-CB 3.34Å; V292-S296 PolarHBondContact O-N 2.87Å; V292-F330 HydrophobicContact CB-CE1 3.92Å; V292-F330 HydrophobicContact CG1-CD1 4.25Å; V292-F330 HydrophobicContact CG1-CE1 4.03Å; V292-F330 HydrophobicContact CG2-CE1 3.89Å; V292-H334 HydrophobicContact CB-CB 4.29Å; V292-H334 HydrophobicContact CG1-CB 3.93Å; V292-H334 PolarHBondContact O-CD2 2.73Å; V292-H334 VanDerWaalsContact O-CD2 3.29Å
293	D	98.5	Very high	96.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-46	173.4	-74.5	-17	0	0	0	111.5	H252 W255 I278 L289 I291 S296 M297	H252-D293 WeakPolarHBondContact CA-OD2 3.47Å; H252-D293 WeakPolarHBondContact CB-OD2 3.48Å; H252-D293 IonicContact CE1-OD1 2.8Å; H252-D293 PolarHBondContact CE1-OD1 3.47Å; H252-D293 IonicContact CG-OD2 3.73Å; H252-D293 VanDerWaalsContact ND1-CG 3.25Å; H252-D293 IonicContact ND1-OD1 3.94Å; H252-D293 PolarHBondContact ND1-OD1 2.97Å; H252-D293 IonicContact ND1-OD2 3.36Å; H252-D293 PolarHBondContact ND1-OD2 3.3Å; W255-D293 HydrophobicContact CB-CB 4.12Å; W255-D293 HydrophobicContact CG-CB 3.93Å; W255-D293 PolarHBondContact NE1-O 3.03Å; I278-D293 HydrophobicContact CG2-CB 4.19Å; L289-D293 WeakPolarHBondContact O-CB 3.41Å; L289-D293 PolarHBondContact O-N 3.12Å; I291-D293 VanDerWaalsContact C-N 3.28Å; I291-D293 PolarHBondContact O-N 3.31Å; D293-S296 PolarHBondContact O-N 3.1Å; D293-M297 WeakPolarHBondContact O-CB 3.44Å; D293-M297 WeakPolarHBondContact O-CG 3.4Å; D293-M297 PolarHBondContact O-N 3.49Å
294	A	98.6	Very high	96.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-46.5	176.1	0	0	0	0	0	111.5	Y274 I278 D290 I291 S296 M297 L298 L315	Y274-A294 HydrophobicContact CE2-CB 3.87Å; I278-A294 HydrophobicContact CG2-CB 4.08Å; D290-A294 WeakPolarHBondContact O-CB 3.28Å; D290-A294 PolarHBondContact O-N 2.93Å; D290-A294 VanDerWaalsContact O-N 3.08Å; I291-A294 WeakPolarHBondContact O-CB 3.22Å; I291-A294 PolarHBondContact O-N 3.35Å; A294-S296 PolarHBondContact O-N 3.35Å; A294-M297 PolarHBondContact O-N 3.15Å; A294-L298 WeakPolarHBondContact O-CG 3.31Å; A294-L298 PolarHBondContact O-N 3.47Å; A294-L315 HydrophobicContact CB-CD1 3.96Å; A294-L315 HydrophobicContact CB-CD2 3.86Å
295	C	98.6	Very high	97	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.6	-49	176.5	-61.8	0	0	0	0	111.5	I291 V292 L298 Y299 W312 L315 H334 V338	I291-C295 PolarHBondContact O-N 3.47Å; I291-C295 PolarHBondContact O-SG 3.01Å; V292-C295 PolarHBondContact O-N 3.29Å; C295-L298 PolarHBondContact O-N 2.95Å; C295-Y299 WeakPolarHBondContact O-CB 3.23Å; C295-Y299 PolarHBondContact O-N 2.98Å; C295-Y299 VanDerWaalsContact O-N 3.1Å; C295-W312 WeakPolarHBondContact O-CH2 3.34Å; C295-L315 HydrophobicContact CB-CD2 4.49Å; C295-H334 HydrophobicContact CB-CB 3.79Å; C295-V338 HydrophobicContact CB-CG2 4.26Å; C295-V338 WeakPolarHBondContact SG-CG2 3.42Å
296	S	98.1	Very high	97.3	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-43.6	-177.8	-173.6	0	0	0	0	111.7	V292 D293 A294 Y299 R300	V292-S296 VanDerWaalsContact O-CB 3.25Å; V292-S296 WeakPolarHBondContact O-CB 3.34Å; V292-S296 PolarHBondContact O-N 2.87Å; D293-S296 PolarHBondContact O-N 3.1Å; A294-S296 PolarHBondContact O-N 3.35Å; S296-Y299 PolarHBondContact O-N 3.25Å; S296-R300 VanDerWaalsContact O-CG 3.29Å; S296-R300 WeakPolarHBondContact O-CG 3.27Å; S296-R300 PolarHBondContact O-N 3.36Å
297	M	98.3	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-50.7	177.2	-85.9	-69.4	-66.7	0	0	112.7	W255 A258 L259 I262 A270 Y274 I278 D293 A294 Y299 R300 L301	W255-M297 HydrophobicContact CG-CG 4.37Å; A258-M297 HydrophobicContact CB-CE 3.37Å; A258-M297 HydrophobicContact CB-SD 3.79Å; L259-M297 HydrophobicContact CD2-SD 3.93Å; I262-M297 HydrophobicContact CD1-CE 3.84Å; I262-M297 HydrophobicContact CD1-SD 3.62Å; A270-M297 HydrophobicContact CB-CE 4.18Å; Y274-M297 HydrophobicContact CD2-CB 3.82Å; Y274-M297 HydrophobicContact CE2-CB 4.32Å; I278-M297 HydrophobicContact CD1-CE 4.47Å; I278-M297 HydrophobicContact CD1-CG 3.9Å; D293-M297 WeakPolarHBondContact O-CB 3.44Å; D293-M297 WeakPolarHBondContact O-CG 3.4Å; D293-M297 PolarHBondContact O-N 3.49Å; A294-M297 PolarHBondContact O-N 3.15Å; M297-Y299 VanDerWaalsContact C-N 3.31Å; M297-Y299 PolarHBondContact O-N 3.03Å; M297-R300 PolarHBondContact O-N 3.17Å; M297-L301 HydrophobicContact CE-CD1 4.3Å; M297-L301 WeakPolarHBondContact O-CG 3.42Å; M297-L301 PolarHBondContact O-N 3.21Å
298	L	98.7	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-41.1	-179.3	-67.7	-169.6	0	0	0	111.6	Y274 A294 C295 R300 L301 E302 V308 R311 W312 L315	Y274-L298 HydrophobicContact CD1-CD2 4.26Å; Y274-L298 HydrophobicContact CD2-CD2 4.04Å; Y274-L298 HydrophobicContact CD2-CG 4.43Å; Y274-L298 HydrophobicContact CE1-CD2 3.89Å; Y274-L298 HydrophobicContact CE2-CD1 4.3Å; Y274-L298 HydrophobicContact CE2-CD2 3.59Å; Y274-L298 HydrophobicContact CE2-CG 3.62Å; Y274-L298 HydrophobicContact CG-CD2 4.36Å; Y274-L298 WeakPolarHBondContact OH-CD1 3.27Å; A294-L298 WeakPolarHBondContact O-CG 3.31Å; A294-L298 PolarHBondContact O-N 3.47Å; C295-L298 PolarHBondContact O-N 2.95Å; L298-R300 PolarHBondContact O-N 2.99Å; L298-L301 PolarHBondContact O-N 3.5Å; L298-E302 WeakPolarHBondContact O-CB 3.29Å; L298-E302 PolarHBondContact O-N 3.27Å; L298-V308 HydrophobicContact CD2-CB 4.08Å; L298-V308 HydrophobicContact CD2-CG1 4.07Å; L298-R311 HydrophobicContact CD1-CB 3.72Å; L298-R311 HydrophobicContact CD2-CB 3.81Å; L298-R311 HydrophobicContact CD2-CG 4.46Å; L298-R311 HydrophobicContact CG-CB 4.43Å; L298-W312 HydrophobicContact CB-CD2 4.14Å; L298-W312 HydrophobicContact CB-CE3 4.08Å; L298-W312 HydrophobicContact CB-CH2 3.4Å; L298-W312 VanDerWaalsContact CB-CH2 3.4Å; L298-W312 HydrophobicContact CB-CZ2 3.47Å; L298-W312 VanDerWaalsContact CB-CZ2 3.47Å; L298-W312 HydrophobicContact CB-CZ3 3.72Å; L298-W312 HydrophobicContact CD1-CD2 3.75Å; L298-W312 HydrophobicContact CD1-CE3 3.52Å; L298-W312 HydrophobicContact CD1-CG 4.34Å; L298-W312 HydrophobicContact CD1-CH2 4.38Å; L298-W312 HydrophobicContact CD1-CZ3 3.85Å; L298-W312 HydrophobicContact CG-CE3 4.46Å; L298-W312 HydrophobicContact CG-CZ3 4.38Å; L298-L315 HydrophobicContact CD1-CD2 4.06Å
299	Y	98.6	Very high	97.8	Very high	11 Å²	11	21.4 Å²	21.4	4%	0.043	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-40.1	-180	-157.6	-93.8	0	0	0	112.1	C295 S296 M297 E302 M303 W312 M337 L416 L420	C295-Y299 WeakPolarHBondContact O-CB 3.23Å; C295-Y299 PolarHBondContact O-N 2.98Å; C295-Y299 VanDerWaalsContact O-N 3.1Å; S296-Y299 PolarHBondContact O-N 3.25Å; M297-Y299 VanDerWaalsContact C-N 3.31Å; M297-Y299 PolarHBondContact O-N 3.03Å; Y299-E302 PolarHBondContact O-N 3.48Å; Y299-M303 HydrophobicContact CD1-CE 3.91Å; Y299-M303 HydrophobicContact CD1-CG 4.29Å; Y299-M303 HydrophobicContact CD1-SD 4.13Å; Y299-M303 HydrophobicContact CE1-CE 4.28Å; Y299-M303 HydrophobicContact CE1-CG 4.24Å; Y299-M303 HydrophobicContact CE1-SD 3.92Å; Y299-M303 WeakPolarHBondContact O-CG 3.37Å; Y299-M303 PolarHBondContact O-N 2.9Å; Y299-W312 HydrophobicContact CD2-CH2 4.26Å; Y299-W312 HydrophobicContact CD2-CZ2 4.18Å; Y299-M337 HydrophobicContact CD2-CB 3.8Å; Y299-M337 HydrophobicContact CD2-CG 3.66Å; Y299-M337 HydrophobicContact CD2-SD 4.16Å; Y299-M337 HydrophobicContact CE2-CB 4.31Å; Y299-M337 HydrophobicContact CE2-CG 3.99Å; Y299-M337 HydrophobicContact CG-CG 4.12Å; Y299-M337 HydrophobicContact CG-SD 4Å; Y299-L416 HydrophobicContact CD1-CD1 3.94Å; Y299-L416 HydrophobicContact CD1-CD2 4.02Å; Y299-L416 HydrophobicContact CD1-CG 4.09Å; Y299-L416 HydrophobicContact CG-CD1 4.49Å; Y299-L420 HydrophobicContact CE1-CD1 4.07Å; Y299-L420 HydrophobicContact CE1-CD2 4.4Å; Y299-L420 WeakPolarHBondContact OH-CD1 3.49Å
300	R	98.5	Very high	97.7	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.019	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-46.2	174.4	-70.5	178.8	-176.6	-67.7	13.3	112.5	I262 S296 M297 L298 E302 M303 E304 A412 L416	I262-R300 HydrophobicContact CD1-CB 4Å; S296-R300 VanDerWaalsContact O-CG 3.29Å; S296-R300 WeakPolarHBondContact O-CG 3.27Å; S296-R300 PolarHBondContact O-N 3.36Å; M297-R300 PolarHBondContact O-N 3.17Å; L298-R300 PolarHBondContact O-N 2.99Å; R300-E302 VanDerWaalsContact C-N 3.34Å; R300-M303 HydrophobicContact CG-CE 4.44Å; R300-M303 PolarHBondContact O-N 3.3Å; R300-E304 PolarHBondContact O-N 3.44Å; R300-A412 PolarHBondContact NH2-O 3.44Å; R300-L416 HydrophobicContact CG-CD1 3.36Å
301	L	98.6	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-43.1	177.9	-73.4	167.4	0	0	0	111.2	I262 Y267 A270 L271 M297 L298 M303 E304 G305 V306 V308	I262-L301 HydrophobicContact CD1-CD2 3.91Å; I262-L301 HydrophobicContact CD1-CG 3.81Å; I262-L301 HydrophobicContact CG1-CD2 3.81Å; I262-L301 HydrophobicContact CG1-CG 4.29Å; Y267-L301 HydrophobicContact CD1-CD2 4.03Å; Y267-L301 HydrophobicContact CG-CD2 4.47Å; A270-L301 HydrophobicContact CB-CD2 4.22Å; L271-L301 HydrophobicContact CD2-CD1 3.62Å; L271-L301 HydrophobicContact CG-CD1 4.12Å; M297-L301 HydrophobicContact CE-CD1 4.3Å; M297-L301 WeakPolarHBondContact O-CG 3.42Å; M297-L301 PolarHBondContact O-N 3.21Å; L298-L301 PolarHBondContact O-N 3.5Å; L301-M303 PolarHBondContact O-N 3.5Å; L301-E304 CarbonylContact O-C 3.52Å; L301-E304 PolarHBondContact O-N 2.94Å; L301-E304 VanDerWaalsContact O-N 3.16Å; L301-G305 PolarHBondContact O-N 2.86Å; L301-V306 HydrophobicContact CB-CB 4.03Å; L301-V306 HydrophobicContact CB-CG1 4.37Å; L301-V306 HydrophobicContact CB-CG2 4.4Å; L301-V306 HydrophobicContact CD2-CB 4.48Å; L301-V306 HydrophobicContact CD2-CG2 4.1Å; L301-V306 VanDerWaalsContact O-CB 3.29Å; L301-V306 WeakPolarHBondContact O-CB 3.3Å; L301-V306 PolarHBondContact O-N 3.03Å; L301-V308 HydrophobicContact CB-CG1 4.04Å; L301-V308 HydrophobicContact CD1-CG1 4.48Å
302	E	97.8	Very high	97.7	Very high	71 Å²	71	27.3 Å²	27.3	33%	0.332	15%	0.154	S	C	.	.	H	α-helix	trans	-63.4	-40.6	176.9	-169.8	171.6	-99.5	0	0	112.4	L298 Y299 R300 E304 G305 V308 W312	L298-E302 WeakPolarHBondContact O-CB 3.29Å; L298-E302 PolarHBondContact O-N 3.27Å; Y299-E302 PolarHBondContact O-N 3.48Å; R300-E302 VanDerWaalsContact C-N 3.34Å; E302-E304 PolarHBondContact O-N 2.89Å; E302-G305 WeakPolarHBondContact O-CA 3.39Å; E302-G305 PolarHBondContact O-N 3.44Å; E302-V308 HydrophobicContact CB-CG2 3.87Å; E302-V308 HydrophobicContact CG-CG2 4.36Å; E302-W312 PolarHBondContact OE1-NE1 3.29Å
303	M	96.6	Very high	97.7	Very high	14 Å²	14	32.5 Å²	32.5	7%	0.069	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-31.6	174.2	-74.8	-168	-64.3	0	0	112.9	Y299 R300 L301 G305 L416 Q419 L420 H423	Y299-M303 HydrophobicContact CD1-CE 3.91Å; Y299-M303 HydrophobicContact CD1-CG 4.29Å; Y299-M303 HydrophobicContact CD1-SD 4.13Å; Y299-M303 HydrophobicContact CE1-CE 4.28Å; Y299-M303 HydrophobicContact CE1-CG 4.24Å; Y299-M303 HydrophobicContact CE1-SD 3.92Å; Y299-M303 WeakPolarHBondContact O-CG 3.37Å; Y299-M303 PolarHBondContact O-N 2.9Å; R300-M303 HydrophobicContact CG-CE 4.44Å; R300-M303 PolarHBondContact O-N 3.3Å; L301-M303 PolarHBondContact O-N 3.5Å; M303-G305 VanDerWaalsContact C-N 3.26Å; M303-G305 PolarHBondContact O-N 3.04Å; M303-L416 HydrophobicContact CE-CD1 4.1Å; M303-L416 HydrophobicContact CE-CG 4.5Å; M303-Q419 HydrophobicContact CE-CB 3.92Å; M303-Q419 HydrophobicContact SD-CB 4.45Å; M303-L420 HydrophobicContact SD-CB 4.34Å; M303-L420 HydrophobicContact SD-CD1 4.47Å; M303-H423 PolarHBondContact O-CE1 2.87Å; M303-H423 VanDerWaalsContact O-CE1 3.29Å
304	E	96.5	Very high	97.6	Very high	17 Å²	17	36.9 Å²	36.9	8%	0.079	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.6	173.7	-75.4	-74.4	82.3	0	0	113.6	Y267 R300 L301 E302 L453 R456 K460	Y267-E304 HydrophobicContact CE1-CB 3.77Å; Y267-E304 HydrophobicContact CE1-CG 4.01Å; Y267-E304 PolarHBondContact OH-OE2 3.39Å; R300-E304 PolarHBondContact O-N 3.44Å; L301-E304 CarbonylContact O-C 3.52Å; L301-E304 PolarHBondContact O-N 2.94Å; L301-E304 VanDerWaalsContact O-N 3.16Å; E302-E304 PolarHBondContact O-N 2.89Å; E304-L453 HydrophobicContact CG-CD1 4.32Å; E304-R456 IonicContact OE2-CZ 3.38Å; E304-R456 IonicContact OE2-NE 3.97Å; E304-R456 PolarHBondContact OE2-NE 2.87Å; E304-R456 VanDerWaalsContact OE2-NE 3.13Å; E304-R456 IonicContact OE2-NH2 3.13Å; E304-R456 PolarHBondContact OE2-NH2 2.99Å; E304-K460 IonicContact OE1-NZ 3.95Å; E304-K460 PolarHBondContact OE1-NZ 2.98Å
305	G	96.2	Very high	97.5	Very high	68 Å²	68	36.9 Å²	36.9	70%	0.701	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.1	11.9	175	0	0	0	0	0	114.7	L301 E302 M303	L301-G305 PolarHBondContact O-N 2.86Å; E302-G305 WeakPolarHBondContact O-CA 3.39Å; E302-G305 PolarHBondContact O-N 3.44Å; M303-G305 VanDerWaalsContact C-N 3.26Å; M303-G305 PolarHBondContact O-N 3.04Å
306	V	98.1	Very high	97.5	Very high	21 Å²	21	37.6 Å²	37.6	13%	0.127	20%	0.198	C	C	.	.			trans	-77.3	135.9	177.2	180	0	0	0	0	109.7	Y267 L271 L301 V308	Y267-V306 HydrophobicContact CD1-CG2 3.96Å; Y267-V306 HydrophobicContact CD2-CG2 3.68Å; Y267-V306 HydrophobicContact CE2-CG2 4.33Å; Y267-V306 HydrophobicContact CG-CG2 3.47Å; Y267-V306 VanDerWaalsContact CG-CG2 3.47Å; L271-V306 HydrophobicContact CD1-CG1 3.84Å; L301-V306 HydrophobicContact CB-CB 4.03Å; L301-V306 HydrophobicContact CB-CG1 4.37Å; L301-V306 HydrophobicContact CB-CG2 4.4Å; L301-V306 HydrophobicContact CD2-CB 4.48Å; L301-V306 HydrophobicContact CD2-CG2 4.1Å; L301-V306 VanDerWaalsContact O-CB 3.29Å; L301-V306 WeakPolarHBondContact O-CB 3.3Å; L301-V306 PolarHBondContact O-N 3.03Å; V306-V308 HydrophobicContact CG1-CG1 4.1Å; V306-V308 PolarHBondContact O-N 3.22Å
307	C	96.6	Very high	97.4	Very high	109 Å²	109	44.4 Å²	44.4	74%	0.736	23%	0.23	S	C	*	.			trans	-78.5	110.7	178.5	-170.8	0	0	0	0	111.2
308	V	97.7	Very high	97.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.237	C	C	.	.			trans	-122.1	13.2	-177.1	-66.3	0	0	0	0	114.1	L271 L298 L301 E302 V306 E310 R311 W312	L271-V308 HydrophobicContact CD2-CG1 4.23Å; L298-V308 HydrophobicContact CD2-CB 4.08Å; L298-V308 HydrophobicContact CD2-CG1 4.07Å; L301-V308 HydrophobicContact CB-CG1 4.04Å; L301-V308 HydrophobicContact CD1-CG1 4.48Å; E302-V308 HydrophobicContact CB-CG2 3.87Å; E302-V308 HydrophobicContact CG-CG2 4.36Å; V306-V308 HydrophobicContact CG1-CG1 4.1Å; V306-V308 PolarHBondContact O-N 3.22Å; V308-E310 PolarHBondContact O-N 3.15Å; V308-R311 WeakPolarHBondContact O-CB 3.22Å; V308-R311 PolarHBondContact O-N 2.88Å; V308-W312 PolarHBondContact O-N 2.57Å
309	K	95.4	Very high	97.2	Very high	83 Å²	83	45.9 Å²	45.9	36%	0.361	24%	0.238	S	C	.	.	H	α-helix	trans	-53.7	-44.2	-170.2	-173.6	166.8	-171.7	148.6	0	114.7	R311 W312 R313 D343	K309-R311 VanDerWaalsContact C-N 3.34Å; K309-W312 PolarHBondContact O-N 3.37Å; K309-R313 PolarHBondContact O-N 3.36Å; K309-D343 WeakPolarHBondContact CE-OD2 3.45Å; K309-D343 IonicContact NZ-OD2 3.25Å; K309-D343 PolarHBondContact NZ-OD2 3.41Å
310	E	96.4	Very high	97	Very high	111 Å²	111	51.5 Å²	51.5	52%	0.519	26%	0.26	S	S	.	.	H	α-helix	trans	-68.4	-35	180	-61.5	-52.1	137.4	0	0	112	V308 W312 R313 E314	V308-E310 PolarHBondContact O-N 3.15Å; E310-W312 VanDerWaalsContact C-N 3.31Å; E310-W312 PolarHBondContact O-N 3.1Å; E310-R313 WeakPolarHBondContact O-CB 3.21Å; E310-R313 PolarHBondContact O-N 2.97Å; E310-R313 VanDerWaalsContact O-N 3.12Å; E310-R313 IonicContact OE1-CZ 2.9Å; E310-R313 IonicContact OE1-NH1 2.86Å; E310-R313 PolarHBondContact OE1-NH1 2.99Å; E310-R313 IonicContact OE2-CZ 2.97Å; E310-R313 IonicContact OE2-NH1 2.89Å; E310-R313 PolarHBondContact OE2-NH1 3.06Å; E310-E314 PolarHBondContact O-N 3.38Å; E310-E314 VanDerWaalsContact O-N 3.16Å
311	R	98.3	Very high	96.9	Very high	55 Å²	55	55.6 Å²	55.6	21%	0.208	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-33.4	177.7	-65.6	176.9	172.9	85.2	-1.8	111.9	Y274 D275 L298 V308 K309 R313 E314 L315	Y274-R311 HydrophobicContact CE1-CB 4.17Å; Y274-R311 HydrophobicContact CE1-CG 4.08Å; D275-R311 IonicContact OD1-CZ 2.83Å; D275-R311 IonicContact OD1-NE 2.91Å; D275-R311 PolarHBondContact OD1-NE 3.21Å; D275-R311 IonicContact OD1-NH2 3.82Å; D275-R311 PolarHBondContact OD1-NH2 2.99Å; D275-R311 IonicContact OD2-CZ 3.19Å; D275-R311 IonicContact OD2-NE 3.43Å; D275-R311 IonicContact OD2-NH2 2.66Å; D275-R311 PolarHBondContact OD2-NH2 2.96Å; L298-R311 HydrophobicContact CD1-CB 3.72Å; L298-R311 HydrophobicContact CD2-CB 3.81Å; L298-R311 HydrophobicContact CD2-CG 4.46Å; L298-R311 HydrophobicContact CG-CB 4.43Å; V308-R311 WeakPolarHBondContact O-CB 3.22Å; V308-R311 PolarHBondContact O-N 2.88Å; K309-R311 VanDerWaalsContact C-N 3.34Å; R311-R313 VanDerWaalsContact C-N 3.35Å; R311-E314 PolarHBondContact O-N 2.66Å; R311-L315 WeakPolarHBondContact O-CB 3.42Å; R311-L315 PolarHBondContact O-N 3.01Å
312	W	98.3	Very high	96.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-42	171.1	-73	133.7	0	0	0	112.6	C295 L298 Y299 E302 V308 K309 E310 E314 L315 L316 M337 V338 G341 A342	C295-W312 WeakPolarHBondContact O-CH2 3.34Å; L298-W312 HydrophobicContact CB-CD2 4.14Å; L298-W312 HydrophobicContact CB-CE3 4.08Å; L298-W312 HydrophobicContact CB-CH2 3.4Å; L298-W312 VanDerWaalsContact CB-CH2 3.4Å; L298-W312 HydrophobicContact CB-CZ2 3.47Å; L298-W312 VanDerWaalsContact CB-CZ2 3.47Å; L298-W312 HydrophobicContact CB-CZ3 3.72Å; L298-W312 HydrophobicContact CD1-CD2 3.75Å; L298-W312 HydrophobicContact CD1-CE3 3.52Å; L298-W312 HydrophobicContact CD1-CG 4.34Å; L298-W312 HydrophobicContact CD1-CH2 4.38Å; L298-W312 HydrophobicContact CD1-CZ3 3.85Å; L298-W312 HydrophobicContact CG-CE3 4.46Å; L298-W312 HydrophobicContact CG-CZ3 4.38Å; Y299-W312 HydrophobicContact CD2-CH2 4.26Å; Y299-W312 HydrophobicContact CD2-CZ2 4.18Å; E302-W312 PolarHBondContact OE1-NE1 3.29Å; V308-W312 PolarHBondContact O-N 2.57Å; K309-W312 PolarHBondContact O-N 3.37Å; E310-W312 VanDerWaalsContact C-N 3.31Å; E310-W312 PolarHBondContact O-N 3.1Å; W312-E314 VanDerWaalsContact C-N 3.35Å; W312-E314 PolarHBondContact O-N 3.38Å; W312-L315 HydrophobicContact CE3-CD2 4.43Å; W312-L315 HydrophobicContact CZ3-CD2 4.3Å; W312-L315 PolarHBondContact O-N 3.02Å; W312-L316 WeakPolarHBondContact O-CB 3.3Å; W312-L316 PolarHBondContact O-N 3.18Å; W312-M337 HydrophobicContact CH2-CB 4.06Å; W312-M337 HydrophobicContact CZ3-CB 4.37Å; W312-V338 HydrophobicContact CE3-CB 4.3Å; W312-V338 HydrophobicContact CE3-CG1 4.42Å; W312-V338 HydrophobicContact CE3-CG2 4.07Å; W312-V338 HydrophobicContact CZ3-CB 4.37Å; W312-V338 HydrophobicContact CZ3-CG2 3.8Å; W312-G341 VanDerWaalsContact CD1-C 3.45Å; W312-G341 VanDerWaalsContact CD1-CA 3.46Å; W312-G341 VanDerWaalsContact CD1-O 3.28Å; W312-G341 VanDerWaalsContact CG-C 3.49Å; W312-A342 HydrophobicContact CB-CB 4.17Å
313	R	96.7	Very high	96.6	Very high	114 Å²	114	53.8 Å²	53.8	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-65.7	-38	179	-68.2	179.8	177.1	151.9	0.8	112.4	K309 E310 R311	K309-R313 PolarHBondContact O-N 3.36Å; E310-R313 WeakPolarHBondContact O-CB 3.21Å; E310-R313 PolarHBondContact O-N 2.97Å; E310-R313 VanDerWaalsContact O-N 3.12Å; E310-R313 IonicContact OE1-CZ 2.9Å; E310-R313 IonicContact OE1-NH1 2.86Å; E310-R313 PolarHBondContact OE1-NH1 2.99Å; E310-R313 IonicContact OE2-CZ 2.97Å; E310-R313 IonicContact OE2-NH1 2.89Å; E310-R313 PolarHBondContact OE2-NH1 3.06Å; R311-R313 VanDerWaalsContact C-N 3.35Å
314	E	96.9	Very high	96.5	Very high	93 Å²	93	55.2 Å²	55.2	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-67.4	-44.9	175.4	-63.6	-174.7	133.9	0	0	111.1	F279 E310 R311 W312 L316 Q317	F279-E314 HydrophobicContact CE1-CB 3.91Å; F279-E314 HydrophobicContact CE2-CB 4.46Å; F279-E314 HydrophobicContact CZ-CB 3.56Å; E310-E314 PolarHBondContact O-N 3.38Å; E310-E314 VanDerWaalsContact O-N 3.16Å; R311-E314 PolarHBondContact O-N 2.66Å; W312-E314 VanDerWaalsContact C-N 3.35Å; W312-E314 PolarHBondContact O-N 3.38Å; E314-L316 VanDerWaalsContact C-N 3.31Å; E314-L316 PolarHBondContact O-N 3.43Å; E314-Q317 WeakPolarHBondContact O-CB 3.27Å; E314-Q317 PolarHBondContact O-N 3.48Å
315	L	97.6	Very high	96.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.1	-31	179.7	-170.4	56.3	0	0	0	112.7	F279 A294 C295 L298 R311 W312 Q317 V318 T319 V338	F279-L315 HydrophobicContact CD2-CD1 4.21Å; F279-L315 HydrophobicContact CE2-CB 4.3Å; F279-L315 HydrophobicContact CE2-CD1 3.98Å; A294-L315 HydrophobicContact CB-CD1 3.96Å; A294-L315 HydrophobicContact CB-CD2 3.86Å; C295-L315 HydrophobicContact CB-CD2 4.49Å; L298-L315 HydrophobicContact CD1-CD2 4.06Å; R311-L315 WeakPolarHBondContact O-CB 3.42Å; R311-L315 PolarHBondContact O-N 3.01Å; W312-L315 HydrophobicContact CE3-CD2 4.43Å; W312-L315 HydrophobicContact CZ3-CD2 4.3Å; W312-L315 PolarHBondContact O-N 3.02Å; L315-Q317 PolarHBondContact O-N 3.04Å; L315-V318 HydrophobicContact CD1-CB 4.38Å; L315-V318 WeakPolarHBondContact O-CB 3.5Å; L315-V318 PolarHBondContact O-N 2.61Å; L315-T319 HydrophobicContact CG-CG2 4.47Å; L315-T319 PolarHBondContact O-N 2.74Å; L315-V338 HydrophobicContact CB-CG1 4.28Å; L315-V338 HydrophobicContact CD2-CG2 3.72Å; L315-V338 HydrophobicContact CG-CG1 4.31Å; L315-V338 HydrophobicContact CG-CG2 3.85Å
316	L	97.5	Very high	96.6	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.073	26%	0.255	C	S	.	.	H	α-helix	trans	-56.9	-33.7	173	-179	77.2	0	0	0	112.6	W312 E314 V318 T319 R320 V338 A342 E344	W312-L316 WeakPolarHBondContact O-CB 3.3Å; W312-L316 PolarHBondContact O-N 3.18Å; E314-L316 VanDerWaalsContact C-N 3.31Å; E314-L316 PolarHBondContact O-N 3.43Å; L316-V318 PolarHBondContact O-N 3.12Å; L316-T319 PolarHBondContact O-N 3.36Å; L316-R320 WeakPolarHBondContact O-CB 3.36Å; L316-R320 PolarHBondContact O-N 3.26Å; L316-V338 VanDerWaalsContact CA-CG1 3.43Å; L316-V338 HydrophobicContact CB-CG1 3.86Å; L316-V338 HydrophobicContact CD1-CG1 4.19Å; L316-A342 HydrophobicContact CB-CB 4.23Å; L316-A342 HydrophobicContact CD1-CB 4.42Å; L316-A342 HydrophobicContact CD2-CB 4.14Å; L316-A342 HydrophobicContact CG-CB 4.49Å; L316-E344 HydrophobicContact CD1-CB 4.38Å; L316-E344 HydrophobicContact CD1-CG 4.24Å; L316-E344 HydrophobicContact CD2-CB 4.48Å; L316-E344 HydrophobicContact CD2-CG 3.5Å; L316-E344 HydrophobicContact CG-CG 4.5Å
317	Q	95.4	Very high	96.5	Very high	145 Å²	145	52.2 Å²	52.2	68%	0.678	26%	0.255	S	S	*	.	H	α-helix	trans	-64.3	-29.6	177.7	-60.6	-179.3	0.2	0	0	111.8	E314 L315	E314-Q317 WeakPolarHBondContact O-CB 3.27Å; E314-Q317 PolarHBondContact O-N 3.48Å; L315-Q317 PolarHBondContact O-N 3.04Å
318	V	96.4	Very high	96.6	Very high	26 Å²	26	47.1 Å²	47.1	16%	0.158	22%	0.221	C	C	.	.	H	α-helix	trans	-81.5	-41	177.8	-173.7	0	0	0	0	110.9	F279 I291 L315 L316 P321 H322	F279-V318 HydrophobicContact CE2-CG2 4.47Å; I291-V318 HydrophobicContact CD1-CG1 3.84Å; I291-V318 HydrophobicContact CG1-CG1 3.86Å; L315-V318 HydrophobicContact CD1-CB 4.38Å; L315-V318 WeakPolarHBondContact O-CB 3.5Å; L315-V318 PolarHBondContact O-N 2.61Å; L316-V318 PolarHBondContact O-N 3.12Å; V318-P321 WeakPolarHBondContact O-CD 3.48Å; V318-H322 PolarHBondContact O-CD2 2.93Å
319	T	97.1	Very high	96.7	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-85.7	-21.8	-175.1	61.8	0	0	0	0	114.5	I291 L315 L316 P321 H322 F335 V338	I291-T319 HydrophobicContact CG2-CG2 3.66Å; L315-T319 HydrophobicContact CG-CG2 4.47Å; L315-T319 PolarHBondContact O-N 2.74Å; L316-T319 PolarHBondContact O-N 3.36Å; T319-P321 VanDerWaalsContact C-CD 3.45Å; T319-H322 WeakPolarHBondContact O-CB 3.3Å; T319-H322 PolarHBondContact O-N 3.26Å; T319-F335 HydrophobicContact CG2-CD1 3.8Å; T319-F335 HydrophobicContact CG2-CE1 4.26Å; T319-V338 HydrophobicContact CG2-CB 4.36Å; T319-V338 HydrophobicContact CG2-CG1 4.42Å; T319-V338 HydrophobicContact CG2-CG2 3.93Å; T319-V338 WeakPolarHBondContact OG1-CG1 3.32Å
320	R	94.7	Very high	96.8	Very high	130 Å²	130	43.7 Å²	43.7	49%	0.491	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-52.3	-43.7	-177.4	179.2	179.8	-72.7	-122	-3.8	113.8	L316 H322 T323 E344	L316-R320 WeakPolarHBondContact O-CB 3.36Å; L316-R320 PolarHBondContact O-N 3.26Å; R320-H322 PolarHBondContact O-N 3.26Å; R320-T323 PolarHBondContact O-N 2.89Å; R320-T323 PolarHBondContact O-OG1 2.8Å; R320-E344 IonicContact NH2-OE2 2.8Å; R320-E344 PolarHBondContact NH2-OE2 3.2Å
321	P	95.1	Very high	96.9	Very high	90 Å²	90	39 Å²	39	58%	0.584	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-59.6	-24.8	176.5	-24.4	36	0	0	0	114.3	V318 T319	V318-P321 WeakPolarHBondContact O-CD 3.48Å; T319-P321 VanDerWaalsContact C-CD 3.45Å
322	H	95.9	Very high	96.9	Very high	22 Å²	22	36.5 Å²	36.5	10%	0.102	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-93	3.2	-174.1	-58.1	-69	0	0	0	114.2	T79 V318 T319 R320 D324 D325 F335	T79-H322 PolarHBondContact O-CE1 3.43Å; V318-H322 PolarHBondContact O-CD2 2.93Å; T319-H322 WeakPolarHBondContact O-CB 3.3Å; T319-H322 PolarHBondContact O-N 3.26Å; R320-H322 PolarHBondContact O-N 3.26Å; H322-D324 PolarHBondContact O-N 3.25Å; H322-D324 VanDerWaalsContact O-N 3.07Å; H322-D325 WeakPolarHBondContact CA-OD2 3.42Å; H322-D325 WeakPolarHBondContact CB-OD2 3.16Å; H322-D325 IonicContact CE1-OD2 2.72Å; H322-D325 IonicContact CG-OD2 3.56Å; H322-D325 IonicContact ND1-OD2 3.22Å; H322-D325 PolarHBondContact ND1-OD2 3.27Å; H322-D325 WeakPolarHBondContact O-CB 3.28Å; H322-D325 PolarHBondContact O-N 3.08Å; H322-D325 VanDerWaalsContact O-N 3.07Å; H322-F335 HydrophobicContact CB-CD2 4.03Å; H322-F335 HydrophobicContact CB-CE1 4.22Å; H322-F335 HydrophobicContact CB-CE2 3.41Å; H322-F335 VanDerWaalsContact CB-CE2 3.41Å; H322-F335 HydrophobicContact CB-CZ 3.5Å; H322-F335 AromaticContact CG-CZ 3.99Å
323	T	94.6	Very high	97	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.067	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.6	-174.8	-57.6	0	0	0	0	113.1	R320 R350 L351	R320-T323 PolarHBondContact O-N 2.89Å; R320-T323 PolarHBondContact O-OG1 2.8Å; T323-R350 HydrophobicContact CG2-CB 4.05Å; T323-R350 HydrophobicContact CG2-CG 3.96Å; T323-L351 HydrophobicContact CG2-CB 4.2Å
324	D	96.1	Very high	97.1	Very high	45 Å²	45	31.1 Å²	31.1	24%	0.241	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	0.8	-176.5	-51.4	-67	0	0	0	113.3	R83 L84 H322 H326 R350	R83-D324 PolarHBondContact NH2-O 3.22Å; L84-D324 HydrophobicContact CD1-CB 3.99Å; L84-D324 WeakPolarHBondContact CD1-O 3.09Å; H322-D324 PolarHBondContact O-N 3.25Å; H322-D324 VanDerWaalsContact O-N 3.07Å; D324-H326 PolarHBondContact O-CD2 2.95Å; D324-H326 VanDerWaalsContact O-CD2 3.28Å; D324-R350 VanDerWaalsContact CG-NH1 3.32Å; D324-R350 IonicContact OD1-CZ 2.6Å; D324-R350 IonicContact OD1-NE 2.63Å; D324-R350 PolarHBondContact OD1-NE 2.69Å; D324-R350 IonicContact OD1-NH1 3.7Å; D324-R350 PolarHBondContact OD1-NH1 3.48Å; D324-R350 IonicContact OD1-NH2 3.22Å; D324-R350 PolarHBondContact OD1-NH2 3.02Å; D324-R350 IonicContact OD2-CZ 3.43Å; D324-R350 IonicContact OD2-NE 3.78Å; D324-R350 IonicContact OD2-NH1 3.45Å; D324-R350 PolarHBondContact OD2-NH1 2.79Å; D324-R350 IonicContact OD2-NH2 3.44Å; D324-R350 PolarHBondContact OD2-NH2 3.36Å
325	D	96	Very high	97.1	Very high	18 Å²	18	27 Å²	27	10%	0.096	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-45.7	-165.9	-80.4	-9	0	0	0	113.5	R83 H322 V327	R83-D325 VanDerWaalsContact NH2-C 3.28Å; R83-D325 PolarHBondContact NH2-O 2.92Å; H322-D325 WeakPolarHBondContact CA-OD2 3.42Å; H322-D325 WeakPolarHBondContact CB-OD2 3.16Å; H322-D325 IonicContact CE1-OD2 2.72Å; H322-D325 IonicContact CG-OD2 3.56Å; H322-D325 IonicContact ND1-OD2 3.22Å; H322-D325 PolarHBondContact ND1-OD2 3.27Å; H322-D325 WeakPolarHBondContact O-CB 3.28Å; H322-D325 PolarHBondContact O-N 3.08Å; H322-D325 VanDerWaalsContact O-N 3.07Å; D325-V327 HydrophobicContact CB-CG2 4.28Å; D325-V327 PolarHBondContact O-N 3.45Å; D325-V327 VanDerWaalsContact O-N 3.08Å
326	H	97.4	Very high	97.2	Very high	4 Å²	4	27 Å²	27	2%	0.019	14%	0.136	C	C	.	.			trans	47	41.1	175.5	-55.5	-47.9	0	0	0	114.2	D324 D332 L351 L355 L358 H368	D324-H326 PolarHBondContact O-CD2 2.95Å; D324-H326 VanDerWaalsContact O-CD2 3.28Å; H326-D332 WeakPolarHBondContact CA-OD1 3.39Å; H326-D332 IonicContact CE1-OD1 2.73Å; H326-D332 IonicContact CG-OD1 3.24Å; H326-D332 IonicContact ND1-OD1 3.66Å; H326-D332 PolarHBondContact ND1-OD1 3.11Å; H326-D332 IonicContact ND1-OD2 3.62Å; H326-D332 PolarHBondContact ND1-OD2 3.12Å; H326-L351 PolarHBondContact CE1-O 3.04Å; H326-L355 PolarHBondContact NE2-N 2.97Å; H326-L358 HydrophobicContact CB-CD1 3.5Å; H326-L358 VanDerWaalsContact CB-CD1 3.5Å; H326-L358 VanDerWaalsContact CD2-CD1 3.46Å; H326-L358 WeakPolarHBondContact CD2-CD1 3.27Å; H326-H368 PolarHBondContact O-NE2 3.11Å
327	V	97.4	Very high	97.3	Very high	21 Å²	21	26.4 Å²	26.4	13%	0.127	13%	0.132	C	C	.	.	S	Bend	trans	-77.5	-46.1	-179.9	180	0	0	0	0	110.7	T78 D325 Q367	T78-V327 HydrophobicContact CG2-CG1 3.97Å; D325-V327 HydrophobicContact CB-CG2 4.28Å; D325-V327 PolarHBondContact O-N 3.45Å; D325-V327 VanDerWaalsContact O-N 3.08Å; V327-Q367 WeakPolarHBondContact O-CG 3.47Å
328	T	98.4	Very high	97.4	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.012	10%	0.1	C	C	.	.			trans	-135.4	144.7	174.6	74	0	0	0	0	110.1	T78 F123 F330 N331 D332	T78-T328 HydrophobicContact CG2-CG2 4.11Å; F123-T328 HydrophobicContact CE2-CG2 4.39Å; T328-F330 PolarHBondContact O-N 2.8Å; T328-N331 PolarHBondContact O-N 3Å; T328-N331 WeakPolarHBondContact OG1-CB 2.97Å; T328-N331 PolarHBondContact OG1-N 3.23Å; T328-N331 VanDerWaalsContact OG1-N 3.13Å; T328-N331 PolarHBondContact OG1-ND2 3.09Å; T328-N331 PolarHBondContact OG1-OD1 3.26Å; T328-D332 PolarHBondContact O-N 3.29Å; T328-D332 VanDerWaalsContact O-N 3.12Å
329	L	98.6	Very high	97.5	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-33	175.3	-65.8	-179.5	0	0	0	111.7	D332 L333 L355 L370 A371 I407	L329-D332 PolarHBondContact O-N 2.89Å; L329-L333 WeakPolarHBondContact O-CD1 3.41Å; L329-L333 VanDerWaalsContact O-CG 3.22Å; L329-L333 WeakPolarHBondContact O-CG 3.47Å; L329-L333 PolarHBondContact O-N 3.46Å; L329-L355 HydrophobicContact CD2-CD1 3.8Å; L329-L355 HydrophobicContact CD2-CD2 4.04Å; L329-L370 HydrophobicContact CD1-CB 3.61Å; L329-A371 HydrophobicContact CD2-CB 4.01Å; L329-I407 HydrophobicContact CB-CB 4.38Å; L329-I407 HydrophobicContact CB-CG2 4.48Å
330	F	98.6	Very high	97.6	Very high	12 Å²	12	18.6 Å²	18.6	5%	0.053	10%	0.095	C	C	.	.	H	α-helix	trans	-58.5	-48.3	175.3	-174.1	-96.4	0	0	0	111.3	V292 T328 L333 H334 I407 Q413	V292-F330 HydrophobicContact CB-CE1 3.92Å; V292-F330 HydrophobicContact CG1-CD1 4.25Å; V292-F330 HydrophobicContact CG1-CE1 4.03Å; V292-F330 HydrophobicContact CG2-CE1 3.89Å; T328-F330 PolarHBondContact O-N 2.8Å; F330-L333 PolarHBondContact O-N 3.25Å; F330-H334 AromaticContact CD1-CE1 3.9Å; F330-H334 AromaticContact CD1-ND1 3.89Å; F330-H334 AromaticContact CD2-CE1 3.86Å; F330-H334 AromaticContact CE1-CE1 3.48Å; F330-H334 VanDerWaalsContact CE1-CE1 3.48Å; F330-H334 WeakPolarHBondContact CE1-CE1 3.13Å; F330-H334 AromaticContact CE1-ND1 3.82Å; F330-H334 AromaticContact CE2-CE1 3.45Å; F330-H334 VanDerWaalsContact CE2-CE1 3.45Å; F330-H334 WeakPolarHBondContact CE2-CE1 3.49Å; F330-H334 AromaticContact CZ-CE1 3.23Å; F330-H334 WeakPolarHBondContact CZ-CE1 3.46Å; F330-H334 AromaticContact CZ-NE2 3.86Å; F330-H334 PolarHBondContact O-N 3.24Å; F330-H334 PolarHBondContact O-ND1 3.4Å; F330-I407 WeakPolarHBondContact CB-O 3.38Å; F330-I407 HydrophobicContact CD2-CD1 4.27Å; F330-I407 HydrophobicContact CD2-CG1 4.13Å; F330-Q413 HydrophobicContact CE2-CB 4.02Å; F330-Q413 HydrophobicContact CZ-CB 3.8Å; F330-Q413 HydrophobicContact CZ-CG 4.23Å
331	N	98.6	Very high	97.7	Very high	11 Å²	11	12.6 Å²	12.6	6%	0.059	7%	0.073	C	C	.	.	H	α-helix	trans	-65.7	-44.5	178.6	-63.2	-9.2	0	0	0	111.2	T78 M288 T328 L333 H334 F335	T78-N331 PolarHBondContact OG1-ND2 3.46Å; T78-N331 VanDerWaalsContact OG1-ND2 3.12Å; M288-N331 VanDerWaalsContact CG-ND2 3.26Å; M288-N331 WeakPolarHBondContact CG-ND2 3.13Å; M288-N331 HydrophobicContact SD-CB 4.42Å; T328-N331 PolarHBondContact O-N 3Å; T328-N331 WeakPolarHBondContact OG1-CB 2.97Å; T328-N331 PolarHBondContact OG1-N 3.23Å; T328-N331 VanDerWaalsContact OG1-N 3.13Å; T328-N331 PolarHBondContact OG1-ND2 3.09Å; T328-N331 PolarHBondContact OG1-OD1 3.26Å; N331-L333 VanDerWaalsContact C-N 3.29Å; N331-L333 PolarHBondContact O-N 3.44Å; N331-H334 PolarHBondContact O-N 2.99Å; N331-F335 HydrophobicContact CB-CE2 4.02Å; N331-F335 HydrophobicContact CB-CZ 4.04Å; N331-F335 WeakPolarHBondContact O-CD2 3.3Å; N331-F335 VanDerWaalsContact O-CG 3.28Å; N331-F335 WeakPolarHBondContact O-CG 3.42Å; N331-F335 PolarHBondContact O-N 3.13Å
332	D	98.6	Very high	97.8	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.016	5%	0.049	C	C	.	.	H	α-helix	trans	-54.6	-44.4	177.3	-73.2	-34.1	0	0	0	111.9	H326 T328 L329 H334 F335 L336 L351	H326-D332 WeakPolarHBondContact CA-OD1 3.39Å; H326-D332 IonicContact CE1-OD1 2.73Å; H326-D332 IonicContact CG-OD1 3.24Å; H326-D332 IonicContact ND1-OD1 3.66Å; H326-D332 PolarHBondContact ND1-OD1 3.11Å; H326-D332 IonicContact ND1-OD2 3.62Å; H326-D332 PolarHBondContact ND1-OD2 3.12Å; T328-D332 PolarHBondContact O-N 3.29Å; T328-D332 VanDerWaalsContact O-N 3.12Å; L329-D332 PolarHBondContact O-N 2.89Å; D332-H334 VanDerWaalsContact C-N 3.34Å; D332-H334 PolarHBondContact O-N 3.42Å; D332-F335 PolarHBondContact O-N 3.44Å; D332-L336 WeakPolarHBondContact O-CB 3.28Å; D332-L336 PolarHBondContact O-N 3.13Å; D332-L351 HydrophobicContact CB-CD2 4.41Å
333	L	98.8	Very high	97.9	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-62.4	-40.8	177.6	-70.5	163.5	0	0	0	111.6	L329 F330 N331 L336 M337 M378 M382 I407 F417	L329-L333 WeakPolarHBondContact O-CD1 3.41Å; L329-L333 VanDerWaalsContact O-CG 3.22Å; L329-L333 WeakPolarHBondContact O-CG 3.47Å; L329-L333 PolarHBondContact O-N 3.46Å; F330-L333 PolarHBondContact O-N 3.25Å; N331-L333 VanDerWaalsContact C-N 3.29Å; N331-L333 PolarHBondContact O-N 3.44Å; L333-L336 PolarHBondContact O-N 3.41Å; L333-M337 WeakPolarHBondContact O-CG 3.42Å; L333-M337 PolarHBondContact O-N 3.4Å; L333-M378 HydrophobicContact CD1-CB 4.46Å; L333-M378 HydrophobicContact CD1-CE 3.67Å; L333-M378 HydrophobicContact CD1-SD 4.08Å; L333-M378 HydrophobicContact CD2-CB 3.64Å; L333-M382 HydrophobicContact CD2-SD 3.72Å; L333-M382 WeakPolarHBondContact O-CE 3.41Å; L333-I407 HydrophobicContact CD1-CD1 3.92Å; L333-F417 HydrophobicContact CB-CE1 4.07Å; L333-F417 HydrophobicContact CB-CZ 3.84Å; L333-F417 HydrophobicContact CD1-CE1 4.01Å; L333-F417 HydrophobicContact CD1-CE2 4.44Å; L333-F417 HydrophobicContact CD1-CZ 3.75Å; L333-F417 HydrophobicContact CD2-CE1 4.38Å; L333-F417 HydrophobicContact CG-CE1 4.39Å; L333-F417 HydrophobicContact CG-CZ 4.33Å
334	H	98.8	Very high	98	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-70.4	-37.8	178.4	-71.4	80.8	0	0	0	112.2	V292 C295 F330 N331 D332 L336 M337 V338	V292-H334 HydrophobicContact CB-CB 4.29Å; V292-H334 HydrophobicContact CG1-CB 3.93Å; V292-H334 PolarHBondContact O-CD2 2.73Å; V292-H334 VanDerWaalsContact O-CD2 3.29Å; C295-H334 HydrophobicContact CB-CB 3.79Å; F330-H334 AromaticContact CD1-CE1 3.9Å; F330-H334 AromaticContact CD1-ND1 3.89Å; F330-H334 AromaticContact CD2-CE1 3.86Å; F330-H334 AromaticContact CE1-CE1 3.48Å; F330-H334 VanDerWaalsContact CE1-CE1 3.48Å; F330-H334 WeakPolarHBondContact CE1-CE1 3.13Å; F330-H334 AromaticContact CE1-ND1 3.82Å; F330-H334 AromaticContact CE2-CE1 3.45Å; F330-H334 VanDerWaalsContact CE2-CE1 3.45Å; F330-H334 WeakPolarHBondContact CE2-CE1 3.49Å; F330-H334 AromaticContact CZ-CE1 3.23Å; F330-H334 WeakPolarHBondContact CZ-CE1 3.46Å; F330-H334 AromaticContact CZ-NE2 3.86Å; F330-H334 PolarHBondContact O-N 3.24Å; F330-H334 PolarHBondContact O-ND1 3.4Å; N331-H334 PolarHBondContact O-N 2.99Å; D332-H334 VanDerWaalsContact C-N 3.34Å; D332-H334 PolarHBondContact O-N 3.42Å; H334-L336 VanDerWaalsContact C-N 3.31Å; H334-L336 PolarHBondContact O-N 3.16Å; H334-M337 WeakPolarHBondContact O-CB 3.47Å; H334-M337 PolarHBondContact O-N 3.07Å; H334-V338 PolarHBondContact O-N 3.3Å
335	F	98.7	Very high	98	Very high	7 Å²	7	16.9 Å²	16.9	3%	0.031	9%	0.09	C	C	.	.	H	α-helix	trans	-64.8	-37.9	173.4	-58.1	-24.4	0	0	0	111.9	M288 I291 T319 H322 N331 D332 M337 V338 A339 L351	M288-F335 HydrophobicContact CE-CE1 4.38Å; M288-F335 HydrophobicContact CE-CZ 3.7Å; M288-F335 HydrophobicContact SD-CE1 3.66Å; M288-F335 HydrophobicContact SD-CZ 3.38Å; M288-F335 WeakPolarHBondContact SD-CZ 3.46Å; I291-F335 HydrophobicContact CG2-CD1 4.37Å; I291-F335 HydrophobicContact CG2-CE1 3.88Å; T319-F335 HydrophobicContact CG2-CD1 3.8Å; T319-F335 HydrophobicContact CG2-CE1 4.26Å; H322-F335 HydrophobicContact CB-CD2 4.03Å; H322-F335 HydrophobicContact CB-CE1 4.22Å; H322-F335 HydrophobicContact CB-CE2 3.41Å; H322-F335 VanDerWaalsContact CB-CE2 3.41Å; H322-F335 HydrophobicContact CB-CZ 3.5Å; H322-F335 AromaticContact CG-CZ 3.99Å; N331-F335 HydrophobicContact CB-CE2 4.02Å; N331-F335 HydrophobicContact CB-CZ 4.04Å; N331-F335 WeakPolarHBondContact O-CD2 3.3Å; N331-F335 VanDerWaalsContact O-CG 3.28Å; N331-F335 WeakPolarHBondContact O-CG 3.42Å; N331-F335 PolarHBondContact O-N 3.13Å; D332-F335 PolarHBondContact O-N 3.44Å; F335-M337 VanDerWaalsContact C-N 3.32Å; F335-M337 PolarHBondContact O-N 3.42Å; F335-V338 PolarHBondContact O-N 3.48Å; F335-V338 VanDerWaalsContact O-N 3.16Å; F335-A339 PolarHBondContact O-N 2.85Å; F335-L351 HydrophobicContact CB-CD1 3.7Å
336	L	98.8	Very high	98	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.8	-38.9	173.7	-176.5	63.4	0	0	0	111.5	D332 L333 H334 V338 A339 L340 A348 L351 C379 M382	D332-L336 WeakPolarHBondContact O-CB 3.28Å; D332-L336 PolarHBondContact O-N 3.13Å; L333-L336 PolarHBondContact O-N 3.41Å; H334-L336 VanDerWaalsContact C-N 3.31Å; H334-L336 PolarHBondContact O-N 3.16Å; L336-V338 PolarHBondContact O-N 3.34Å; L336-A339 PolarHBondContact O-N 3.33Å; L336-L340 HydrophobicContact CD1-CD1 4.16Å; L336-L340 HydrophobicContact CD1-CD2 4.3Å; L336-L340 HydrophobicContact CD1-CG 3.97Å; L336-L340 HydrophobicContact CD2-CD1 4.39Å; L336-L340 HydrophobicContact CG-CD1 3.85Å; L336-L340 HydrophobicContact CG-CG 4.12Å; L336-L340 WeakPolarHBondContact O-CB 3.43Å; L336-L340 VanDerWaalsContact O-CG 3.22Å; L336-L340 WeakPolarHBondContact O-CG 3.27Å; L336-L340 PolarHBondContact O-N 3.24Å; L336-A348 HydrophobicContact CD1-CB 3.66Å; L336-L351 HydrophobicContact CB-CD1 4.32Å; L336-L351 HydrophobicContact CB-CD2 4.32Å; L336-C379 VanDerWaalsContact CD2-CA 3.49Å; L336-C379 HydrophobicContact CD2-CB 3.55Å; L336-M382 HydrophobicContact CB-CE 4.34Å; L336-M382 HydrophobicContact CD2-CB 4.23Å; L336-M382 HydrophobicContact CD2-CE 4.29Å; L336-M382 HydrophobicContact CD2-SD 4.3Å; L336-M382 HydrophobicContact CG-CE 4.28Å
337	M	98.6	Very high	98	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-54.4	-44	173.2	-63.6	169.4	-158.2	0	0	111.2	Y299 W312 L333 H334 F335 G341 M382 L416 F417	Y299-M337 HydrophobicContact CD2-CB 3.8Å; Y299-M337 HydrophobicContact CD2-CG 3.66Å; Y299-M337 HydrophobicContact CD2-SD 4.16Å; Y299-M337 HydrophobicContact CE2-CB 4.31Å; Y299-M337 HydrophobicContact CE2-CG 3.99Å; Y299-M337 HydrophobicContact CG-CG 4.12Å; Y299-M337 HydrophobicContact CG-SD 4Å; W312-M337 HydrophobicContact CH2-CB 4.06Å; W312-M337 HydrophobicContact CZ3-CB 4.37Å; L333-M337 WeakPolarHBondContact O-CG 3.42Å; L333-M337 PolarHBondContact O-N 3.4Å; H334-M337 WeakPolarHBondContact O-CB 3.47Å; H334-M337 PolarHBondContact O-N 3.07Å; F335-M337 VanDerWaalsContact C-N 3.32Å; F335-M337 PolarHBondContact O-N 3.42Å; M337-G341 PolarHBondContact O-N 3.09Å; M337-M382 HydrophobicContact CB-CE 4.29Å; M337-M382 HydrophobicContact CE-CE 4.06Å; M337-M382 HydrophobicContact CG-CE 3.32Å; M337-L416 HydrophobicContact CE-CD2 3.1Å; M337-L416 HydrophobicContact SD-CD2 3.59Å; M337-L416 VanDerWaalsContact SD-CD2 3.59Å; M337-F417 HydrophobicContact CE-CE1 3.64Å; M337-F417 HydrophobicContact CE-CZ 3.72Å
338	V	98.6	Very high	98	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.3	-46.8	-179.8	-179.1	0	0	0	0	111.5	C295 W312 L315 L316 T319 H334 F335 L336 L340 G341 A342	C295-V338 HydrophobicContact CB-CG2 4.26Å; C295-V338 WeakPolarHBondContact SG-CG2 3.42Å; W312-V338 HydrophobicContact CE3-CB 4.3Å; W312-V338 HydrophobicContact CE3-CG1 4.42Å; W312-V338 HydrophobicContact CE3-CG2 4.07Å; W312-V338 HydrophobicContact CZ3-CB 4.37Å; W312-V338 HydrophobicContact CZ3-CG2 3.8Å; L315-V338 HydrophobicContact CB-CG1 4.28Å; L315-V338 HydrophobicContact CD2-CG2 3.72Å; L315-V338 HydrophobicContact CG-CG1 4.31Å; L315-V338 HydrophobicContact CG-CG2 3.85Å; L316-V338 VanDerWaalsContact CA-CG1 3.43Å; L316-V338 HydrophobicContact CB-CG1 3.86Å; L316-V338 HydrophobicContact CD1-CG1 4.19Å; T319-V338 HydrophobicContact CG2-CB 4.36Å; T319-V338 HydrophobicContact CG2-CG1 4.42Å; T319-V338 HydrophobicContact CG2-CG2 3.93Å; T319-V338 WeakPolarHBondContact OG1-CG1 3.32Å; H334-V338 PolarHBondContact O-N 3.3Å; F335-V338 PolarHBondContact O-N 3.48Å; F335-V338 VanDerWaalsContact O-N 3.16Å; L336-V338 PolarHBondContact O-N 3.34Å; V338-L340 VanDerWaalsContact C-N 3.31Å; V338-L340 PolarHBondContact O-N 3.49Å; V338-G341 PolarHBondContact O-N 3.48Å; V338-A342 VanDerWaalsContact O-CB 3.24Å; V338-A342 WeakPolarHBondContact O-CB 3.41Å; V338-A342 PolarHBondContact O-N 3.02Å
339	A	98.4	Very high	98	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-44.1	177.9	0	0	0	0	0	111.6	F335 L336 D343 E344 A347 A348	F335-A339 PolarHBondContact O-N 2.85Å; L336-A339 PolarHBondContact O-N 3.33Å; A339-D343 PolarHBondContact O-N 2.93Å; A339-E344 PolarHBondContact O-N 3.23Å; A339-A347 HydrophobicContact CB-CB 4.02Å; A339-A348 HydrophobicContact CB-CB 3.98Å
340	L	98.3	Very high	98	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-69.3	-41.3	177.3	-63.3	177.7	0	0	0	112.4	L336 V338 A342 D343 A348 M382 L383 K386	L336-L340 HydrophobicContact CD1-CD1 4.16Å; L336-L340 HydrophobicContact CD1-CD2 4.3Å; L336-L340 HydrophobicContact CD1-CG 3.97Å; L336-L340 HydrophobicContact CD2-CD1 4.39Å; L336-L340 HydrophobicContact CG-CD1 3.85Å; L336-L340 HydrophobicContact CG-CG 4.12Å; L336-L340 WeakPolarHBondContact O-CB 3.43Å; L336-L340 VanDerWaalsContact O-CG 3.22Å; L336-L340 WeakPolarHBondContact O-CG 3.27Å; L336-L340 PolarHBondContact O-N 3.24Å; V338-L340 VanDerWaalsContact C-N 3.31Å; V338-L340 PolarHBondContact O-N 3.49Å; L340-A342 VanDerWaalsContact C-N 3.33Å; L340-D343 PolarHBondContact O-N 3.4Å; L340-A348 HydrophobicContact CD2-CB 3.92Å; L340-M382 HydrophobicContact CD1-CB 3.93Å; L340-L383 HydrophobicContact CD2-CD2 3.53Å; L340-L383 HydrophobicContact CD2-CG 4.25Å; L340-K386 HydrophobicContact CB-CD 4.42Å; L340-K386 HydrophobicContact CB-CG 4.32Å; L340-K386 HydrophobicContact CD1-CB 4.39Å; L340-K386 HydrophobicContact CD2-CB 4.44Å; L340-K386 HydrophobicContact CD2-CG 4.31Å; L340-K386 WeakPolarHBondContact O-CE 3.46Å; L340-K386 PolarHBondContact O-NZ 2.82Å
341	G	97.9	Very high	97.9	Very high	4 Å²	4	29.8 Å²	29.8	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-66.3	-34.5	178.6	0	0	0	0	0	112.9	W312 M337 V338 D343	W312-G341 VanDerWaalsContact CD1-C 3.45Å; W312-G341 VanDerWaalsContact CD1-CA 3.46Å; W312-G341 VanDerWaalsContact CD1-O 3.28Å; W312-G341 VanDerWaalsContact CG-C 3.49Å; M337-G341 PolarHBondContact O-N 3.09Å; V338-G341 PolarHBondContact O-N 3.48Å; G341-D343 VanDerWaalsContact C-N 3.31Å
342	A	97.8	Very high	97.9	Very high	8 Å²	8	30.2 Å²	30.2	7%	0.066	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.7	177	0	0	0	0	0	114.1	W312 L316 V338 L340 E344	W312-A342 HydrophobicContact CB-CB 4.17Å; L316-A342 HydrophobicContact CB-CB 4.23Å; L316-A342 HydrophobicContact CD1-CB 4.42Å; L316-A342 HydrophobicContact CD2-CB 4.14Å; L316-A342 HydrophobicContact CG-CB 4.49Å; V338-A342 VanDerWaalsContact O-CB 3.24Å; V338-A342 WeakPolarHBondContact O-CB 3.41Å; V338-A342 PolarHBondContact O-N 3.02Å; L340-A342 VanDerWaalsContact C-N 3.33Å; A342-E344 VanDerWaalsContact C-N 3.32Å; A342-E344 HydrophobicContact CB-CG 4.07Å
343	D	97.2	Very high	97.9	Very high	71 Å²	71	35.1 Å²	35.1	38%	0.38	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	36.3	-174	-54	-44.5	0	0	0	113.2	K309 A339 L340 G341 D345 K386	K309-D343 WeakPolarHBondContact CE-OD2 3.45Å; K309-D343 IonicContact NZ-OD2 3.25Å; K309-D343 PolarHBondContact NZ-OD2 3.41Å; A339-D343 PolarHBondContact O-N 2.93Å; L340-D343 PolarHBondContact O-N 3.4Å; G341-D343 VanDerWaalsContact C-N 3.31Å; D343-D345 PolarHBondContact O-N 2.9Å; D343-K386 WeakPolarHBondContact OD1-CE 3.5Å; D343-K386 IonicContact OD1-NZ 2.72Å; D343-K386 PolarHBondContact OD1-NZ 3.27Å
344	E	97.4	Very high	97.9	Very high	74 Å²	74	35.7 Å²	35.7	35%	0.346	18%	0.184	S	C	.	.			trans	-101.2	70.1	-179.2	-69.2	-90.7	150.4	0	0	111.5	L316 R320 A339 A342 G346 A347 A348	L316-E344 HydrophobicContact CD1-CB 4.38Å; L316-E344 HydrophobicContact CD1-CG 4.24Å; L316-E344 HydrophobicContact CD2-CB 4.48Å; L316-E344 HydrophobicContact CD2-CG 3.5Å; L316-E344 HydrophobicContact CG-CG 4.5Å; R320-E344 IonicContact NH2-OE2 2.8Å; R320-E344 PolarHBondContact NH2-OE2 3.2Å; A339-E344 PolarHBondContact O-N 3.23Å; A342-E344 VanDerWaalsContact C-N 3.32Å; A342-E344 HydrophobicContact CB-CG 4.07Å; E344-G346 PolarHBondContact O-N 2.99Å; E344-A347 HydrophobicContact CB-CB 4.23Å; E344-A347 PolarHBondContact O-N 3.41Å; E344-A348 PolarHBondContact O-N 2.85Å; E344-A348 VanDerWaalsContact O-N 3.14Å
345	D	95.5	Very high	97.9	Very high	105 Å²	105	35.7 Å²	35.7	56%	0.561	18%	0.183	S	C	*	.	H	α-helix	trans	-52.8	-32.2	-177	-66.1	-23.2	0	0	0	113.6	D343 R349	D343-D345 PolarHBondContact O-N 2.9Å; D345-R349 VanDerWaalsContact O-CB 3.31Å; D345-R349 WeakPolarHBondContact O-CB 3.42Å; D345-R349 PolarHBondContact O-N 3.26Å
346	G	96.5	Very high	97.9	Very high	44 Å²	44	38.5 Å²	38.5	45%	0.454	20%	0.197	S	C	.	.	H	α-helix	trans	-64.2	-43.2	176.6	0	0	0	0	0	112.7	E344 R350	E344-G346 PolarHBondContact O-N 2.99Å; G346-R350 VanDerWaalsContact O-CB 3.3Å; G346-R350 WeakPolarHBondContact O-CB 3.38Å; G346-R350 PolarHBondContact O-N 3.47Å
347	A	96.7	Very high	97.8	Very high	16 Å²	16	44.7 Å²	44.7	13%	0.132	23%	0.225	C	C	.	.	H	α-helix	trans	-69.7	-42.4	177.3	0	0	0	0	0	111.2	A339 E344 R349 R350 L351	A339-A347 HydrophobicContact CB-CB 4.02Å; E344-A347 HydrophobicContact CB-CB 4.23Å; E344-A347 PolarHBondContact O-N 3.41Å; A347-R349 PolarHBondContact O-N 2.99Å; A347-R350 PolarHBondContact O-N 3.13Å; A347-L351 WeakPolarHBondContact O-CB 3.49Å; A347-L351 PolarHBondContact O-N 3.37Å
348	A	98	Very high	97.8	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-45.3	176.9	0	0	0	0	0	112	L336 A339 L340 E344 L352 L383	L336-A348 HydrophobicContact CD1-CB 3.66Å; A339-A348 HydrophobicContact CB-CB 3.98Å; L340-A348 HydrophobicContact CD2-CB 3.92Å; E344-A348 PolarHBondContact O-N 2.85Å; E344-A348 VanDerWaalsContact O-N 3.14Å; A348-L352 PolarHBondContact O-N 2.88Å; A348-L352 VanDerWaalsContact O-N 3.17Å; A348-L383 HydrophobicContact CB-CD2 4.41Å
349	R	97.6	Very high	97.8	Very high	140 Å²	140	47 Å²	47	53%	0.528	24%	0.239	S	C	.	.	H	α-helix	trans	-64	-45.7	176.8	-169.6	-174	-53.5	109.1	9.2	111.7	D345 A347 L351 L352 E353	D345-R349 VanDerWaalsContact O-CB 3.31Å; D345-R349 WeakPolarHBondContact O-CB 3.42Å; D345-R349 PolarHBondContact O-N 3.26Å; A347-R349 PolarHBondContact O-N 2.99Å; R349-L351 VanDerWaalsContact C-N 3.35Å; R349-L351 PolarHBondContact O-N 3.41Å; R349-L352 PolarHBondContact O-N 3.28Å; R349-E353 VanDerWaalsContact CD-OE1 3.23Å; R349-E353 WeakPolarHBondContact CD-OE1 3.45Å; R349-E353 HydrophobicContact CG-CG 4.18Å; R349-E353 VanDerWaalsContact CG-OE1 3.27Å; R349-E353 WeakPolarHBondContact CG-OE1 3.42Å; R349-E353 WeakPolarHBondContact O-CB 3.38Å; R349-E353 WeakPolarHBondContact O-CG 3.45Å; R349-E353 PolarHBondContact O-N 3.46Å
350	R	97.9	Very high	97.7	Very high	125 Å²	125	55.9 Å²	55.9	47%	0.472	27%	0.272	S	S	.	.	H	α-helix	trans	-59.4	-44.8	-179.7	-174.4	173.1	-172.2	-120.8	-3.2	112.1	T323 D324 G346 A347 E353 G354	T323-R350 HydrophobicContact CG2-CB 4.05Å; T323-R350 HydrophobicContact CG2-CG 3.96Å; D324-R350 VanDerWaalsContact CG-NH1 3.32Å; D324-R350 IonicContact OD1-CZ 2.6Å; D324-R350 IonicContact OD1-NE 2.63Å; D324-R350 PolarHBondContact OD1-NE 2.69Å; D324-R350 IonicContact OD1-NH1 3.7Å; D324-R350 PolarHBondContact OD1-NH1 3.48Å; D324-R350 IonicContact OD1-NH2 3.22Å; D324-R350 PolarHBondContact OD1-NH2 3.02Å; D324-R350 IonicContact OD2-CZ 3.43Å; D324-R350 IonicContact OD2-NE 3.78Å; D324-R350 IonicContact OD2-NH1 3.45Å; D324-R350 PolarHBondContact OD2-NH1 2.79Å; D324-R350 IonicContact OD2-NH2 3.44Å; D324-R350 PolarHBondContact OD2-NH2 3.36Å; G346-R350 VanDerWaalsContact O-CB 3.3Å; G346-R350 WeakPolarHBondContact O-CB 3.38Å; G346-R350 PolarHBondContact O-N 3.47Å; A347-R350 PolarHBondContact O-N 3.13Å; R350-E353 PolarHBondContact O-N 2.93Å; R350-G354 PolarHBondContact O-N 3.38Å
351	L	98.5	Very high	97.6	Very high	3 Å²	3	64 Å²	64	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-60	-47.2	175.7	-177.3	155.1	0	0	0	111.2	T323 H326 D332 F335 L336 A347 R349 L355	T323-L351 HydrophobicContact CG2-CB 4.2Å; H326-L351 PolarHBondContact CE1-O 3.04Å; D332-L351 HydrophobicContact CB-CD2 4.41Å; F335-L351 HydrophobicContact CB-CD1 3.7Å; L336-L351 HydrophobicContact CB-CD1 4.32Å; L336-L351 HydrophobicContact CB-CD2 4.32Å; A347-L351 WeakPolarHBondContact O-CB 3.49Å; A347-L351 PolarHBondContact O-N 3.37Å; R349-L351 VanDerWaalsContact C-N 3.35Å; R349-L351 PolarHBondContact O-N 3.41Å; L351-L355 WeakPolarHBondContact O-CB 3.46Å; L351-L355 PolarHBondContact O-N 3.28Å
352	L	98.4	Very high	97.5	Very high	20 Å²	20	65.4 Å²	65.4	11%	0.105	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-43.6	179.6	-177.4	60.7	0	0	0	112.3	A348 R349 L355 Q356 I376 C379 E380 L383	A348-L352 PolarHBondContact O-N 2.88Å; A348-L352 VanDerWaalsContact O-N 3.17Å; R349-L352 PolarHBondContact O-N 3.28Å; L352-L355 PolarHBondContact O-N 3.21Å; L352-Q356 HydrophobicContact CD1-CG 4.38Å; L352-Q356 HydrophobicContact CG-CG 4.49Å; L352-Q356 WeakPolarHBondContact O-CB 3.25Å; L352-Q356 WeakPolarHBondContact O-CG 3.47Å; L352-Q356 PolarHBondContact O-N 3.08Å; L352-I376 HydrophobicContact CD1-CG1 4.42Å; L352-I376 HydrophobicContact CD1-CG2 4.19Å; L352-C379 HydrophobicContact CD1-CB 3.86Å; L352-E380 HydrophobicContact CD2-CG 4.28Å; L352-L383 HydrophobicContact CD2-CD1 3.68Å
353	E	98.4	Very high	97.5	Very high	105 Å²	105	67.5 Å²	67.5	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-44.9	178.2	-74.8	172.4	174.8	0	0	111.7	R349 R350 Q356 E357	R349-E353 VanDerWaalsContact CD-OE1 3.23Å; R349-E353 WeakPolarHBondContact CD-OE1 3.45Å; R349-E353 HydrophobicContact CG-CG 4.18Å; R349-E353 VanDerWaalsContact CG-OE1 3.27Å; R349-E353 WeakPolarHBondContact CG-OE1 3.42Å; R349-E353 WeakPolarHBondContact O-CB 3.38Å; R349-E353 WeakPolarHBondContact O-CG 3.45Å; R349-E353 PolarHBondContact O-N 3.46Å; R350-E353 PolarHBondContact O-N 2.93Å; E353-Q356 WeakPolarHBondContact O-CB 3.34Å; E353-Q356 PolarHBondContact O-N 3.34Å; E353-E357 PolarHBondContact O-N 3.31Å
354	G	98.3	Very high	97.3	Very high	14 Å²	14	67.5 Å²	67.5	14%	0.144	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-43.7	176.7	0	0	0	0	0	112.3	R350 Q356 E357 L358	R350-G354 PolarHBondContact O-N 3.38Å; G354-Q356 PolarHBondContact O-N 3.43Å; G354-E357 PolarHBondContact O-N 2.86Å; G354-L358 WeakPolarHBondContact O-CG 3.41Å; G354-L358 PolarHBondContact O-N 3.07Å
355	L	98.2	Very high	97.4	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.2	-40.4	175.5	-174.9	60.8	0	0	0	111.8	H326 L329 L351 L352 L358 A359 A371 I376	H326-L355 PolarHBondContact NE2-N 2.97Å; L329-L355 HydrophobicContact CD2-CD1 3.8Å; L329-L355 HydrophobicContact CD2-CD2 4.04Å; L351-L355 WeakPolarHBondContact O-CB 3.46Å; L351-L355 PolarHBondContact O-N 3.28Å; L352-L355 PolarHBondContact O-N 3.21Å; L355-L358 PolarHBondContact O-N 3.07Å; L355-A359 VanDerWaalsContact O-CB 3.28Å; L355-A359 WeakPolarHBondContact O-CB 3.38Å; L355-A359 PolarHBondContact O-N 3.47Å; L355-A371 HydrophobicContact CD1-CB 3.64Å; L355-A371 HydrophobicContact CD2-CB 4.47Å; L355-A371 HydrophobicContact CG-CB 3.97Å; L355-I376 HydrophobicContact CD2-CG1 4.01Å; L355-I376 HydrophobicContact CG-CG1 4.03Å
356	Q	98.6	Very high	97.5	Very high	66 Å²	66	61.9 Å²	61.9	31%	0.308	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-38.7	174.7	-76.9	173.1	-8.8	0	0	112.5	L352 E353 G354 A359 R360 I376	L352-Q356 HydrophobicContact CD1-CG 4.38Å; L352-Q356 HydrophobicContact CG-CG 4.49Å; L352-Q356 WeakPolarHBondContact O-CB 3.25Å; L352-Q356 WeakPolarHBondContact O-CG 3.47Å; L352-Q356 PolarHBondContact O-N 3.08Å; E353-Q356 WeakPolarHBondContact O-CB 3.34Å; E353-Q356 PolarHBondContact O-N 3.34Å; G354-Q356 PolarHBondContact O-N 3.43Å; Q356-A359 PolarHBondContact O-N 2.94Å; Q356-R360 WeakPolarHBondContact O-CG 3.24Å; Q356-I376 HydrophobicContact CB-CD1 4.34Å; Q356-I376 HydrophobicContact CG-CD1 3.75Å; Q356-I376 HydrophobicContact CG-CG1 4.04Å; Q356-I376 HydrophobicContact CG-CG2 4.29Å
357	E	98.3	Very high	97.6	Very high	130 Å²	130	59.9 Å²	59.9	61%	0.607	29%	0.29	S	S	*	.	H	α-helix	trans	-63.8	-50.6	176.2	-177.1	170.7	-163.1	0	0	111.1	E353 G354 A359 R360	E353-E357 PolarHBondContact O-N 3.31Å; G354-E357 PolarHBondContact O-N 2.86Å; E357-A359 PolarHBondContact O-N 2.73Å; E357-R360 WeakPolarHBondContact O-CB 3.38Å; E357-R360 PolarHBondContact O-N 3.32Å; E357-R360 VanDerWaalsContact O-N 3.1Å
358	L	97.7	Very high	97.6	Very high	36 Å²	36	59.8 Å²	59.8	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-29.9	178.8	-68.1	169.9	0	0	0	112.7	H326 G354 L355 R360	H326-L358 HydrophobicContact CB-CD1 3.5Å; H326-L358 VanDerWaalsContact CB-CD1 3.5Å; H326-L358 VanDerWaalsContact CD2-CD1 3.46Å; H326-L358 WeakPolarHBondContact CD2-CD1 3.27Å; G354-L358 WeakPolarHBondContact O-CG 3.41Å; G354-L358 PolarHBondContact O-N 3.07Å; L355-L358 PolarHBondContact O-N 3.07Å; L358-R360 VanDerWaalsContact C-N 3.26Å; L358-R360 PolarHBondContact O-N 2.78Å
359	A	97.9	Very high	97.6	Very high	13 Å²	13	65.6 Å²	65.6	11%	0.107	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.7	176.5	0	0	0	0	0	114.3	L355 Q356 E357 A371 K372 I376	L355-A359 VanDerWaalsContact O-CB 3.28Å; L355-A359 WeakPolarHBondContact O-CB 3.38Å; L355-A359 PolarHBondContact O-N 3.47Å; Q356-A359 PolarHBondContact O-N 2.94Å; E357-A359 PolarHBondContact O-N 2.73Å; A359-A371 HydrophobicContact CB-CB 3.84Å; A359-K372 HydrophobicContact CB-CB 4.43Å; A359-I376 HydrophobicContact CB-CD1 3.79Å
360	R	97.4	Very high	97.6	Very high	191 Å²	191	60.1 Å²	60.1	72%	0.721	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-45.4	179.9	-69.4	174.8	-174.7	165.5	3.7	111.9	Q356 E357 L358	Q356-R360 WeakPolarHBondContact O-CG 3.24Å; E357-R360 WeakPolarHBondContact O-CB 3.38Å; E357-R360 PolarHBondContact O-N 3.32Å; E357-R360 VanDerWaalsContact O-N 3.1Å; L358-R360 VanDerWaalsContact C-N 3.26Å; L358-R360 PolarHBondContact O-N 2.78Å
361	E	96.1	Very high	97.7	Very high	179 Å²	179	54.2 Å²	54.2	84%	0.836	27%	0.268	S	S	*	.	S	Bend	trans	-132.4	67.8	-177.7	-64.8	-173.1	176	0	0	110	G363	E361-G363 PolarHBondContact O-N 2.82Å
362	P	96.3	Very high	97.6	Very high	32 Å²	32	61.8 Å²	61.8	21%	0.208	30%	0.301	C	S	.	.			trans	-72.6	-5.1	-168.5	31.9	-38.8	0	0	0	113.8	D364 N365 H368 R369	P362-D364 PolarHBondContact O-N 3.28Å; P362-N365 WeakPolarHBondContact O-CB 3.42Å; P362-N365 PolarHBondContact O-N 2.69Å; P362-H368 VanDerWaalsContact CB-C 3.5Å; P362-H368 HydrophobicContact CB-CB 3.54Å; P362-R369 HydrophobicContact CB-CB 4.44Å; P362-R369 HydrophobicContact CB-CG 3.8Å; P362-R369 HydrophobicContact CG-CB 4.45Å; P362-R369 HydrophobicContact CG-CG 3.68Å
363	G	95.9	Very high	97.5	Very high	52 Å²	52	63.1 Å²	63.1	54%	0.536	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	-127.6	-177.7	0	0	0	0	0	111.6	E361 R369	E361-G363 PolarHBondContact O-N 2.82Å; G363-R369 PolarHBondContact O-NE 3.11Å; G363-R369 PolarHBondContact O-NH2 2.78Å
364	D	94.9	Very high	97.5	Very high	71 Å²	71	58.1 Å²	58.1	38%	0.38	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.4	176.1	-100.9	7.9	0	0	0	114.7	N122 K125 P362 Q366 R369	N122-D364 PolarHBondContact ND2-OD2 2.81Å; N122-D364 VanDerWaalsContact ND2-OD2 3.1Å; K125-D364 IonicContact NZ-OD2 3.83Å; K125-D364 PolarHBondContact NZ-OD2 2.98Å; P362-D364 PolarHBondContact O-N 3.28Å; D364-Q366 PolarHBondContact O-N 3.33Å; D364-R369 IonicContact OD1-CZ 3.66Å; D364-R369 IonicContact OD1-NH1 2.64Å; D364-R369 IonicContact OD1-NH2 2.98Å; D364-R369 PolarHBondContact OD1-NH2 2.88Å
365	N	98.1	Very high	97.5	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.134	28%	0.282	C	S	.	.			trans	-73.3	117.8	-179.6	-174.7	-52	0	0	0	110.9	P362 Q367 H368 R369	P362-N365 WeakPolarHBondContact O-CB 3.42Å; P362-N365 PolarHBondContact O-N 2.69Å; N365-Q367 PolarHBondContact OD1-N 3.04Å; N365-H368 HydrophobicContact CB-CB 4.13Å; N365-H368 PolarHBondContact ND2-CE1 3Å; N365-H368 VanDerWaalsContact ND2-CE1 3.35Å; N365-H368 PolarHBondContact ND2-ND1 3.38Å; N365-H368 PolarHBondContact OD1-N 3.27Å; N365-R369 VanDerWaalsContact O-CG 3.26Å; N365-R369 WeakPolarHBondContact O-CG 3.38Å; N365-R369 PolarHBondContact O-N 2.66Å; N365-R369 VanDerWaalsContact O-N 3.12Å
366	Q	97.9	Very high	97.5	Very high	37 Å²	37	58.3 Å²	58.3	17%	0.173	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-42.3	-176.5	-176.7	-170.4	9.2	0	0	112.7	G121 P124 M154 D364 R369 L370	G121-Q366 PolarHBondContact O-N 3.44Å; P124-Q366 HydrophobicContact CG-CB 4.41Å; P124-Q366 HydrophobicContact CG-CG 4.22Å; M154-Q366 PolarHBondContact SD-OE1 2.95Å; D364-Q366 PolarHBondContact O-N 3.33Å; Q366-R369 WeakPolarHBondContact O-CB 3.47Å; Q366-R369 PolarHBondContact O-N 3.14Å; Q366-L370 HydrophobicContact CG-CD1 4.23Å; Q366-L370 WeakPolarHBondContact O-CG 3.43Å; Q366-L370 PolarHBondContact O-N 3.33Å
367	Q	97.9	Very high	97.5	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-40.4	-175.8	-63.6	-69.7	-38.1	0	0	110.5	F123 Y153 V327 N365 L370 A371	F123-Q367 HydrophobicContact CD2-CG 4.4Å; F123-Q367 HydrophobicContact CE2-CG 3.78Å; F123-Q367 HydrophobicContact CZ-CG 4.48Å; Y153-Q367 PolarHBondContact O-NE2 3.25Å; V327-Q367 WeakPolarHBondContact O-CG 3.47Å; N365-Q367 PolarHBondContact OD1-N 3.04Å; Q367-L370 PolarHBondContact O-N 3.06Å; Q367-A371 PolarHBondContact O-N 3.05Å
368	H	97.9	Very high	97.6	Very high	15 Å²	15	50 Å²	50	7%	0.069	25%	0.249	C	C	.	.	H	α-helix	trans	-68.9	-34.1	175.7	-57.8	168.4	0	0	0	112.3	H326 P362 N365 A371	H326-H368 PolarHBondContact O-NE2 3.11Å; P362-H368 VanDerWaalsContact CB-C 3.5Å; P362-H368 HydrophobicContact CB-CB 3.54Å; N365-H368 HydrophobicContact CB-CB 4.13Å; N365-H368 PolarHBondContact ND2-CE1 3Å; N365-H368 VanDerWaalsContact ND2-CE1 3.35Å; N365-H368 PolarHBondContact ND2-ND1 3.38Å; N365-H368 PolarHBondContact OD1-N 3.27Å; H368-A371 VanDerWaalsContact O-CB 3.31Å; H368-A371 WeakPolarHBondContact O-CB 3.41Å; H368-A371 PolarHBondContact O-N 3.49Å
369	R	98	Very high	97.6	Very high	122 Å²	122	48.4 Å²	48.4	46%	0.46	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-41.7	171.2	-74.4	169.9	178.7	177.6	-7.3	111.9	P362 G363 D364 N365 Q366 A371	P362-R369 HydrophobicContact CB-CB 4.44Å; P362-R369 HydrophobicContact CB-CG 3.8Å; P362-R369 HydrophobicContact CG-CB 4.45Å; P362-R369 HydrophobicContact CG-CG 3.68Å; G363-R369 PolarHBondContact O-NE 3.11Å; G363-R369 PolarHBondContact O-NH2 2.78Å; D364-R369 IonicContact OD1-CZ 3.66Å; D364-R369 IonicContact OD1-NH1 2.64Å; D364-R369 IonicContact OD1-NH2 2.98Å; D364-R369 PolarHBondContact OD1-NH2 2.88Å; N365-R369 VanDerWaalsContact O-CG 3.26Å; N365-R369 WeakPolarHBondContact O-CG 3.38Å; N365-R369 PolarHBondContact O-N 2.66Å; N365-R369 VanDerWaalsContact O-N 3.12Å; Q366-R369 WeakPolarHBondContact O-CB 3.47Å; Q366-R369 PolarHBondContact O-N 3.14Å; R369-A371 VanDerWaalsContact C-N 3.33Å
370	L	98.1	Very high	97.7	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.136	25%	0.25	C	C	.	.	H	α-helix	trans	-70.8	-29.3	178.9	-73	173.1	0	0	0	112.4	L329 Q366 Q367 K372 S373 L374 D406	L329-L370 HydrophobicContact CD1-CB 3.61Å; Q366-L370 HydrophobicContact CG-CD1 4.23Å; Q366-L370 WeakPolarHBondContact O-CG 3.43Å; Q366-L370 PolarHBondContact O-N 3.33Å; Q367-L370 PolarHBondContact O-N 3.06Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 3.34Å; L370-S373 PolarHBondContact O-N 3.03Å; L370-S373 PolarHBondContact O-OG 2.66Å; L370-L374 WeakPolarHBondContact O-CB 3.38Å; L370-L374 PolarHBondContact O-N 2.91Å; L370-D406 HydrophobicContact CD1-CB 4.35Å; L370-D406 WeakPolarHBondContact CD1-O 3.42Å; L370-D406 HydrophobicContact CD2-CB 4.47Å
371	A	98.3	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-48.2	-49	-176.7	0	0	0	0	0	113	L329 L355 A359 Q367 H368 R369 S373 G375 I376	L329-A371 HydrophobicContact CD2-CB 4.01Å; L355-A371 HydrophobicContact CD1-CB 3.64Å; L355-A371 HydrophobicContact CD2-CB 4.47Å; L355-A371 HydrophobicContact CG-CB 3.97Å; A359-A371 HydrophobicContact CB-CB 3.84Å; Q367-A371 PolarHBondContact O-N 3.05Å; H368-A371 VanDerWaalsContact O-CB 3.31Å; H368-A371 WeakPolarHBondContact O-CB 3.41Å; H368-A371 PolarHBondContact O-N 3.49Å; R369-A371 VanDerWaalsContact C-N 3.33Å; A371-S373 VanDerWaalsContact C-N 3.34Å; A371-S373 PolarHBondContact O-N 3.43Å; A371-G375 PolarHBondContact O-N 2.75Å; A371-G375 VanDerWaalsContact O-N 3.12Å; A371-I376 HydrophobicContact CB-CD1 4.32Å; A371-I376 WeakPolarHBondContact O-CB 3.45Å; A371-I376 PolarHBondContact O-N 2.8Å
372	K	96.6	Very high	97.9	Very high	162 Å²	162	33.2 Å²	33.2	70%	0.704	18%	0.176	S	C	*	.	I	π-helix	trans	-61.9	-37.6	-178.1	-175.1	173	-178.7	177.2	0	114.1	A359 L370	A359-K372 HydrophobicContact CB-CB 4.43Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 3.34Å
373	S	97.1	Very high	98	Very high	49 Å²	49	33.1 Å²	33.1	34%	0.343	17%	0.174	S	C	.	.	I	π-helix	trans	-98.3	-10	-172.6	77.1	0	0	0	0	114.1	L370 A371 R403	L370-S373 PolarHBondContact O-N 3.03Å; L370-S373 PolarHBondContact O-OG 2.66Å; A371-S373 VanDerWaalsContact C-N 3.34Å; A371-S373 PolarHBondContact O-N 3.43Å; S373-R403 PolarHBondContact OG-NH1 3.2Å; S373-R403 PolarHBondContact OG-NH2 2.92Å
374	L	98.3	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-143.6	-63.4	-170.9	-173.9	60.1	0	0	0	111.8	L370 P377 M378 L400 R403 D406 I407	L370-L374 WeakPolarHBondContact O-CB 3.38Å; L370-L374 PolarHBondContact O-N 2.91Å; L374-P377 WeakPolarHBondContact O-CD 3.38Å; L374-M378 HydrophobicContact CD1-CG 4.41Å; L374-M378 HydrophobicContact CD1-SD 3.78Å; L374-M378 HydrophobicContact CG-SD 4.05Å; L374-M378 WeakPolarHBondContact O-CB 3.38Å; L374-M378 VanDerWaalsContact O-CG 3.25Å; L374-M378 WeakPolarHBondContact O-CG 3.48Å; L374-M378 PolarHBondContact O-N 3.36Å; L374-L400 HydrophobicContact CD1-CB 4.06Å; L374-L400 HydrophobicContact CD1-CD1 4.25Å; L374-L400 HydrophobicContact CD1-CD2 4.16Å; L374-L400 HydrophobicContact CD1-CG 4.37Å; L374-R403 HydrophobicContact CD1-CB 4.31Å; L374-D406 HydrophobicContact CD2-CB 3.65Å; L374-I407 HydrophobicContact CD2-CG2 3.47Å; L374-I407 VanDerWaalsContact CD2-CG2 3.47Å; L374-I407 HydrophobicContact CG-CG2 3.81Å
375	G	98.4	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	I	π-helix	trans	-58.9	-53.7	-173.9	0	0	0	0	0	114.3	A371 M378 C379	A371-G375 PolarHBondContact O-N 2.75Å; A371-G375 VanDerWaalsContact O-N 3.12Å; G375-M378 PolarHBondContact O-N 3.01Å; G375-C379 PolarHBondContact O-N 3.39Å; G375-C379 PolarHBondContact O-SG 2.89Å; G375-C379 VanDerWaalsContact O-SG 3.34Å
376	I	98.8	Very high	98.2	Very high	17 Å²	17	33.5 Å²	33.5	9%	0.087	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-51.3	-179.6	-70.2	158.9	0	0	0	111.2	L352 L355 Q356 A359 A371 M378 C379 E380	L352-I376 HydrophobicContact CD1-CG1 4.42Å; L352-I376 HydrophobicContact CD1-CG2 4.19Å; L355-I376 HydrophobicContact CD2-CG1 4.01Å; L355-I376 HydrophobicContact CG-CG1 4.03Å; Q356-I376 HydrophobicContact CB-CD1 4.34Å; Q356-I376 HydrophobicContact CG-CD1 3.75Å; Q356-I376 HydrophobicContact CG-CG1 4.04Å; Q356-I376 HydrophobicContact CG-CG2 4.29Å; A359-I376 HydrophobicContact CB-CD1 3.79Å; A371-I376 HydrophobicContact CB-CD1 4.32Å; A371-I376 WeakPolarHBondContact O-CB 3.45Å; A371-I376 PolarHBondContact O-N 2.8Å; I376-M378 VanDerWaalsContact C-N 3.26Å; I376-M378 PolarHBondContact O-N 3.25Å; I376-C379 WeakPolarHBondContact O-CB 3.46Å; I376-C379 PolarHBondContact O-N 2.88Å; I376-C379 VanDerWaalsContact O-N 3.14Å; I376-E380 HydrophobicContact CG2-CG 4.32Å; I376-E380 WeakPolarHBondContact CG2-OE1 3.3Å; I376-E380 WeakPolarHBondContact O-CB 3.41Å; I376-E380 WeakPolarHBondContact O-CG 3.3Å; I376-E380 PolarHBondContact O-N 3.46Å
377	P	98.8	Very high	98.2	Very high	23 Å²	23	37.6 Å²	37.6	15%	0.149	18%	0.175	C	C	.	.	H	α-helix	trans	-55.1	-36.8	173.2	-31	37	0	0	0	114.7	L374 A381 L400	L374-P377 WeakPolarHBondContact O-CD 3.38Å; P377-A381 WeakPolarHBondContact O-CB 3.37Å; P377-A381 PolarHBondContact O-N 2.71Å; P377-L400 HydrophobicContact CB-CD1 3.68Å
378	M	98.8	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.8	-43.8	175.8	-72.1	-179.4	72.4	0	0	111.8	L333 L374 G375 I376 A381 M382 L397 L400 M404 I407 F417	L333-M378 HydrophobicContact CD1-CB 4.46Å; L333-M378 HydrophobicContact CD1-CE 3.67Å; L333-M378 HydrophobicContact CD1-SD 4.08Å; L333-M378 HydrophobicContact CD2-CB 3.64Å; L374-M378 HydrophobicContact CD1-CG 4.41Å; L374-M378 HydrophobicContact CD1-SD 3.78Å; L374-M378 HydrophobicContact CG-SD 4.05Å; L374-M378 WeakPolarHBondContact O-CB 3.38Å; L374-M378 VanDerWaalsContact O-CG 3.25Å; L374-M378 WeakPolarHBondContact O-CG 3.48Å; L374-M378 PolarHBondContact O-N 3.36Å; G375-M378 PolarHBondContact O-N 3.01Å; I376-M378 VanDerWaalsContact C-N 3.26Å; I376-M378 PolarHBondContact O-N 3.25Å; M378-A381 PolarHBondContact O-N 3.45Å; M378-M382 WeakPolarHBondContact O-CG 3.5Å; M378-M382 PolarHBondContact O-N 3.26Å; M378-M382 VanDerWaalsContact O-N 3.1Å; M378-L397 HydrophobicContact CG-CD2 4.13Å; M378-L400 HydrophobicContact CG-CD1 3.75Å; M378-M404 HydrophobicContact CE-CG 4.27Å; M378-I407 HydrophobicContact CE-CD1 3.98Å; M378-I407 HydrophobicContact SD-CG2 3.95Å; M378-F417 HydrophobicContact CE-CB 4.15Å; M378-F417 HydrophobicContact CE-CD1 3.54Å; M378-F417 HydrophobicContact CE-CD2 4.01Å; M378-F417 HydrophobicContact CE-CE1 3.87Å; M378-F417 HydrophobicContact CE-CE2 4.31Å; M378-F417 HydrophobicContact CE-CG 3.62Å; M378-F417 HydrophobicContact CE-CZ 4.25Å
379	C	98.8	Very high	98.2	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-46.5	174.5	-70.2	0	0	0	0	111.8	L336 L352 G375 I376 A381 M382 L383	L336-C379 VanDerWaalsContact CD2-CA 3.49Å; L336-C379 HydrophobicContact CD2-CB 3.55Å; L352-C379 HydrophobicContact CD1-CB 3.86Å; G375-C379 PolarHBondContact O-N 3.39Å; G375-C379 PolarHBondContact O-SG 2.89Å; G375-C379 VanDerWaalsContact O-SG 3.34Å; I376-C379 WeakPolarHBondContact O-CB 3.46Å; I376-C379 PolarHBondContact O-N 2.88Å; I376-C379 VanDerWaalsContact O-N 3.14Å; C379-A381 VanDerWaalsContact C-N 3.32Å; C379-A381 PolarHBondContact O-N 3.29Å; C379-M382 PolarHBondContact O-N 2.86Å; C379-L383 PolarHBondContact O-N 2.97Å
380	E	98.8	Very high	98.2	Very high	63 Å²	63	38.4 Å²	38.4	29%	0.294	20%	0.195	S	C	.	.	H	α-helix	trans	-59.4	-43.5	175.8	-72.1	173	169.2	0	0	110.9	L352 I376 M382 L383 E384 L396	L352-E380 HydrophobicContact CD2-CG 4.28Å; I376-E380 HydrophobicContact CG2-CG 4.32Å; I376-E380 WeakPolarHBondContact CG2-OE1 3.3Å; I376-E380 WeakPolarHBondContact O-CB 3.41Å; I376-E380 WeakPolarHBondContact O-CG 3.3Å; I376-E380 PolarHBondContact O-N 3.46Å; E380-M382 VanDerWaalsContact C-N 3.3Å; E380-M382 PolarHBondContact O-N 3.46Å; E380-L383 WeakPolarHBondContact O-CB 3.43Å; E380-L383 PolarHBondContact O-N 3.34Å; E380-E384 VanDerWaalsContact O-CG 3.27Å; E380-E384 WeakPolarHBondContact O-CG 3.23Å; E380-E384 PolarHBondContact O-N 3.03Å; E380-L396 HydrophobicContact CB-CD1 3.84Å
381	A	98.8	Very high	98.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-36	177.9	0	0	0	0	0	113.7	P377 M378 C379 E384 Y385 A393 L396 L397	P377-A381 WeakPolarHBondContact O-CB 3.37Å; P377-A381 PolarHBondContact O-N 2.71Å; M378-A381 PolarHBondContact O-N 3.45Å; C379-A381 VanDerWaalsContact C-N 3.32Å; C379-A381 PolarHBondContact O-N 3.29Å; A381-E384 PolarHBondContact O-N 3.42Å; A381-Y385 WeakPolarHBondContact O-CB 3.4Å; A381-Y385 PolarHBondContact O-N 3.05Å; A381-A393 WeakPolarHBondContact O-CB 3.49Å; A381-L396 HydrophobicContact CB-CB 3.72Å; A381-L396 HydrophobicContact CB-CD1 4.19Å; A381-L397 HydrophobicContact CB-CD1 3.75Å; A381-L397 HydrophobicContact CB-CD2 3.99Å; A381-L397 HydrophobicContact CB-CG 3.41Å; A381-L397 VanDerWaalsContact CB-CG 3.41Å
382	M	98.7	Very high	98.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-38.9	175.6	-69.1	170.1	60.1	0	0	111.9	L333 L336 M337 L340 M378 C379 E380 Y385 K386 F417 L420	L333-M382 HydrophobicContact CD2-SD 3.72Å; L333-M382 WeakPolarHBondContact O-CE 3.41Å; L336-M382 HydrophobicContact CB-CE 4.34Å; L336-M382 HydrophobicContact CD2-CB 4.23Å; L336-M382 HydrophobicContact CD2-CE 4.29Å; L336-M382 HydrophobicContact CD2-SD 4.3Å; L336-M382 HydrophobicContact CG-CE 4.28Å; M337-M382 HydrophobicContact CB-CE 4.29Å; M337-M382 HydrophobicContact CE-CE 4.06Å; M337-M382 HydrophobicContact CG-CE 3.32Å; L340-M382 HydrophobicContact CD1-CB 3.93Å; M378-M382 WeakPolarHBondContact O-CG 3.5Å; M378-M382 PolarHBondContact O-N 3.26Å; M378-M382 VanDerWaalsContact O-N 3.1Å; C379-M382 PolarHBondContact O-N 2.86Å; E380-M382 VanDerWaalsContact C-N 3.3Å; E380-M382 PolarHBondContact O-N 3.46Å; M382-Y385 PolarHBondContact O-N 3.04Å; M382-K386 WeakPolarHBondContact O-CB 3.42Å; M382-K386 PolarHBondContact O-N 3.41Å; M382-F417 HydrophobicContact SD-CE1 4.26Å; M382-L420 HydrophobicContact CG-CD2 3.7Å
383	L	98.5	Very high	98.4	Very high	31 Å²	31	35.8 Å²	35.8	16%	0.162	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-48.1	172.2	-79.6	158.8	0	0	0	111.4	L340 A348 L352 C379 E380 Y385 K386 Q387	L340-L383 HydrophobicContact CD2-CD2 3.53Å; L340-L383 HydrophobicContact CD2-CG 4.25Å; A348-L383 HydrophobicContact CB-CD2 4.41Å; L352-L383 HydrophobicContact CD2-CD1 3.68Å; C379-L383 PolarHBondContact O-N 2.97Å; E380-L383 WeakPolarHBondContact O-CB 3.43Å; E380-L383 PolarHBondContact O-N 3.34Å; L383-Y385 VanDerWaalsContact C-N 3.33Å; L383-Y385 PolarHBondContact O-N 3.23Å; L383-K386 PolarHBondContact O-N 2.95Å; L383-Q387 WeakPolarHBondContact O-CG 3.43Å; L383-Q387 PolarHBondContact O-N 2.74Å; L383-Q387 PolarHBondContact O-NE2 3.47Å
384	E	98.6	Very high	98.5	Very high	49 Å²	49	33.6 Å²	33.6	23%	0.229	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-41.6	177.4	-66.8	-66.3	165.5	0	0	111.3	E380 A381 Q387 G388 N389 Q392 A393 L396	E380-E384 VanDerWaalsContact O-CG 3.27Å; E380-E384 WeakPolarHBondContact O-CG 3.23Å; E380-E384 PolarHBondContact O-N 3.03Å; A381-E384 PolarHBondContact O-N 3.42Å; E384-Q387 PolarHBondContact O-N 2.99Å; E384-G388 PolarHBondContact O-N 2.98Å; E384-N389 HydrophobicContact CB-CB 4.17Å; E384-N389 WeakPolarHBondContact O-CA 3.38Å; E384-N389 WeakPolarHBondContact O-CB 3.4Å; E384-N389 PolarHBondContact O-N 2.96Å; E384-N389 WeakPolarHBondContact OE2-CB 3.3Å; E384-N389 PolarHBondContact OE2-ND2 2.62Å; E384-Q392 HydrophobicContact CB-CB 4.32Å; E384-Q392 HydrophobicContact CB-CG 4.41Å; E384-Q392 HydrophobicContact CG-CB 4.11Å; E384-Q392 HydrophobicContact CG-CG 3.7Å; E384-A393 HydrophobicContact CB-CB 4.13Å; E384-L396 HydrophobicContact CG-CD1 4.13Å
385	Y	98.6	Very high	98.5	Very high	25 Å²	25	36.1 Å²	36.1	10%	0.098	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-45.1	175.2	-175.9	-91.1	0	0	0	111.9	A381 M382 L383 Q387 G388 F390 L420 H423 A424 K427	A381-Y385 WeakPolarHBondContact O-CB 3.4Å; A381-Y385 PolarHBondContact O-N 3.05Å; M382-Y385 PolarHBondContact O-N 3.04Å; L383-Y385 VanDerWaalsContact C-N 3.33Å; L383-Y385 PolarHBondContact O-N 3.23Å; Y385-Q387 VanDerWaalsContact C-N 3.28Å; Y385-Q387 PolarHBondContact O-N 3.23Å; Y385-G388 PolarHBondContact O-N 3.17Å; Y385-G388 VanDerWaalsContact O-N 3.11Å; Y385-F390 AromaticContact CD2-CD1 3.55Å; Y385-F390 HydrophobicContact CD2-CD1 3.55Å; Y385-F390 AromaticContact CD2-CE1 3.74Å; Y385-F390 HydrophobicContact CD2-CE1 3.74Å; Y385-F390 AromaticContact CE2-CD1 3.74Å; Y385-F390 HydrophobicContact CE2-CD1 3.74Å; Y385-F390 AromaticContact CE2-CE1 3.69Å; Y385-F390 HydrophobicContact CE2-CE1 3.69Å; Y385-F390 HydrophobicContact CG-CD1 4.28Å; Y385-F390 HydrophobicContact CG-CE1 4.21Å; Y385-F390 WeakPolarHBondContact O-CE1 3.43Å; Y385-L420 HydrophobicContact CD1-CD1 3.62Å; Y385-L420 HydrophobicContact CD2-CD1 3.52Å; Y385-L420 HydrophobicContact CE1-CD1 3.78Å; Y385-L420 HydrophobicContact CE2-CD1 3.72Å; Y385-L420 HydrophobicContact CG-CD1 3.48Å; Y385-L420 VanDerWaalsContact CG-CD1 3.48Å; Y385-H423 HydrophobicContact CE2-CB 4.09Å; Y385-A424 HydrophobicContact CD2-CB 3.81Å; Y385-A424 HydrophobicContact CE2-CB 4.1Å; Y385-K427 HydrophobicContact CE2-CD 4.42Å; Y385-K427 PolarHBondContact OH-NZ 2.93Å
386	K	97.4	Very high	98.5	Very high	82 Å²	82	37.5 Å²	37.5	36%	0.357	20%	0.202	S	C	.	.	H	α-helix	trans	-61.1	-36.8	176.8	176.7	68.2	-174.8	-157.9	0	112.1	L340 D343 M382 L383 G388	L340-K386 HydrophobicContact CB-CD 4.42Å; L340-K386 HydrophobicContact CB-CG 4.32Å; L340-K386 HydrophobicContact CD1-CB 4.39Å; L340-K386 HydrophobicContact CD2-CB 4.44Å; L340-K386 HydrophobicContact CD2-CG 4.31Å; L340-K386 WeakPolarHBondContact O-CE 3.46Å; L340-K386 PolarHBondContact O-NZ 2.82Å; D343-K386 WeakPolarHBondContact OD1-CE 3.5Å; D343-K386 IonicContact OD1-NZ 2.72Å; D343-K386 PolarHBondContact OD1-NZ 3.27Å; M382-K386 WeakPolarHBondContact O-CB 3.42Å; M382-K386 PolarHBondContact O-N 3.41Å; L383-K386 PolarHBondContact O-N 2.95Å; K386-G388 PolarHBondContact O-N 3.41Å
387	Q	97.2	Very high	98.5	Very high	122 Å²	122	36.8 Å²	36.8	57%	0.57	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.5	178.2	-68.8	172.3	48.3	0	0	113.7	L383 E384 Y385 N389	L383-Q387 WeakPolarHBondContact O-CG 3.43Å; L383-Q387 PolarHBondContact O-N 2.74Å; L383-Q387 PolarHBondContact O-NE2 3.47Å; E384-Q387 PolarHBondContact O-N 2.99Å; Y385-Q387 VanDerWaalsContact C-N 3.28Å; Y385-Q387 PolarHBondContact O-N 3.23Å; Q387-N389 VanDerWaalsContact C-N 3.32Å
388	G	97.6	Very high	98.5	Very high	35 Å²	35	38.9 Å²	38.9	36%	0.361	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	6.2	-176.5	0	0	0	0	0	114.1	E384 Y385 K386 F390	E384-G388 PolarHBondContact O-N 2.98Å; Y385-G388 PolarHBondContact O-N 3.17Å; Y385-G388 VanDerWaalsContact O-N 3.11Å; K386-G388 PolarHBondContact O-N 3.41Å; G388-F390 WeakPolarHBondContact O-CD2 3.46Å; G388-F390 WeakPolarHBondContact O-CE2 3.28Å; G388-F390 PolarHBondContact O-N 3.36Å
389	N	98.4	Very high	98.4	Very high	75 Å²	75	43.3 Å²	43.3	40%	0.401	24%	0.235	S	C	.	.			trans	-81.9	57.1	177.8	-62.8	-23.4	0	0	0	110.8	E384 Q387 S391 Q392 A393	E384-N389 HydrophobicContact CB-CB 4.17Å; E384-N389 WeakPolarHBondContact O-CA 3.38Å; E384-N389 WeakPolarHBondContact O-CB 3.4Å; E384-N389 PolarHBondContact O-N 2.96Å; E384-N389 WeakPolarHBondContact OE2-CB 3.3Å; E384-N389 PolarHBondContact OE2-ND2 2.62Å; Q387-N389 VanDerWaalsContact C-N 3.32Å; N389-S391 PolarHBondContact O-N 2.83Å; N389-S391 VanDerWaalsContact O-N 3.15Å; N389-Q392 HydrophobicContact CB-CB 4.43Å; N389-Q392 PolarHBondContact O-N 2.84Å; N389-A393 PolarHBondContact O-N 3.15Å; N389-A393 VanDerWaalsContact O-N 3.09Å
390	F	98.7	Very high	98.4	Very high	45 Å²	45	43.9 Å²	43.9	20%	0.197	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-31.5	-170.4	-56.3	-60.6	0	0	0	113.8	Y385 G388 A393 V394 A424 K427	Y385-F390 AromaticContact CD2-CD1 3.55Å; Y385-F390 HydrophobicContact CD2-CD1 3.55Å; Y385-F390 AromaticContact CD2-CE1 3.74Å; Y385-F390 HydrophobicContact CD2-CE1 3.74Å; Y385-F390 AromaticContact CE2-CD1 3.74Å; Y385-F390 HydrophobicContact CE2-CD1 3.74Å; Y385-F390 AromaticContact CE2-CE1 3.69Å; Y385-F390 HydrophobicContact CE2-CE1 3.69Å; Y385-F390 HydrophobicContact CG-CD1 4.28Å; Y385-F390 HydrophobicContact CG-CE1 4.21Å; Y385-F390 WeakPolarHBondContact O-CE1 3.43Å; G388-F390 WeakPolarHBondContact O-CD2 3.46Å; G388-F390 WeakPolarHBondContact O-CE2 3.28Å; G388-F390 PolarHBondContact O-N 3.36Å; F390-A393 PolarHBondContact O-N 3.5Å; F390-V394 VanDerWaalsContact O-CG2 3.31Å; F390-V394 WeakPolarHBondContact O-CG2 3.27Å; F390-V394 PolarHBondContact O-N 3.22Å; F390-A424 WeakPolarHBondContact CB-O 3.5Å; F390-K427 HydrophobicContact CB-CB 4.24Å; F390-K427 HydrophobicContact CD1-CB 3.92Å; F390-K427 HydrophobicContact CD1-CD 4.22Å; F390-K427 HydrophobicContact CD2-CB 3.44Å; F390-K427 VanDerWaalsContact CD2-CB 3.44Å; F390-K427 VanDerWaalsContact CD2-O 3.32Å; F390-K427 WeakPolarHBondContact CD2-O 3.42Å; F390-K427 HydrophobicContact CE1-CB 4.12Å; F390-K427 HydrophobicContact CE1-CD 3.7Å; F390-K427 HydrophobicContact CE2-CB 3.66Å; F390-K427 HydrophobicContact CE2-CD 4.12Å; F390-K427 HydrophobicContact CE2-CG 4.45Å; F390-K427 HydrophobicContact CG-CB 3.58Å; F390-K427 HydrophobicContact CZ-CB 3.99Å; F390-K427 HydrophobicContact CZ-CD 3.64Å; F390-K427 HydrophobicContact CZ-CG 4.44Å
391	S	98.5	Very high	98.3	Very high	43 Å²	43	43.1 Å²	43.1	30%	0.301	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-42.9	175.9	-168.3	0	0	0	0	112	N389 V394 A395 H433	N389-S391 PolarHBondContact O-N 2.83Å; N389-S391 VanDerWaalsContact O-N 3.15Å; S391-V394 PolarHBondContact O-N 3.41Å; S391-A395 PolarHBondContact O-N 3.37Å; S391-H433 PolarHBondContact O-CE1 3.01Å; S391-H433 PolarHBondContact OG-CE1 3.24Å; S391-H433 VanDerWaalsContact OG-CE1 3.23Å
392	Q	98.7	Very high	98.2	Very high	91 Å²	91	51.3 Å²	51.3	43%	0.425	26%	0.264	S	S	.	.	H	α-helix	trans	-72.1	-39.4	178.1	-173.7	60.9	20.4	0	0	111.4	E384 N389 V394 A395 L396	E384-Q392 HydrophobicContact CB-CB 4.32Å; E384-Q392 HydrophobicContact CB-CG 4.41Å; E384-Q392 HydrophobicContact CG-CB 4.11Å; E384-Q392 HydrophobicContact CG-CG 3.7Å; N389-Q392 HydrophobicContact CB-CB 4.43Å; N389-Q392 PolarHBondContact O-N 2.84Å; Q392-V394 VanDerWaalsContact C-N 3.28Å; Q392-V394 PolarHBondContact O-N 2.81Å; Q392-A395 WeakPolarHBondContact O-CB 3.41Å; Q392-A395 PolarHBondContact O-N 3.49Å; Q392-A395 VanDerWaalsContact O-N 3.11Å; Q392-L396 HydrophobicContact CG-CD1 4.14Å; Q392-L396 WeakPolarHBondContact O-CG 3.48Å; Q392-L396 PolarHBondContact O-N 3.35Å
393	A	98.8	Very high	98.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-42.3	173.1	0	0	0	0	0	111.9	A381 E384 N389 F390 L396 L397 A424	A381-A393 WeakPolarHBondContact O-CB 3.49Å; E384-A393 HydrophobicContact CB-CB 4.13Å; N389-A393 PolarHBondContact O-N 3.15Å; N389-A393 VanDerWaalsContact O-N 3.09Å; F390-A393 PolarHBondContact O-N 3.5Å; A393-L396 PolarHBondContact O-N 2.59Å; A393-L397 WeakPolarHBondContact O-CB 3.16Å; A393-L397 PolarHBondContact O-N 3.48Å; A393-A424 HydrophobicContact CB-CB 4.14Å
394	V	98.8	Very high	98	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-45.8	173.8	172.6	0	0	0	0	111.5	F390 S391 Q392 L396 L397 H398 L421 A424 A425 L436	F390-V394 VanDerWaalsContact O-CG2 3.31Å; F390-V394 WeakPolarHBondContact O-CG2 3.27Å; F390-V394 PolarHBondContact O-N 3.22Å; S391-V394 PolarHBondContact O-N 3.41Å; Q392-V394 VanDerWaalsContact C-N 3.28Å; Q392-V394 PolarHBondContact O-N 2.81Å; V394-L396 PolarHBondContact O-N 2.87Å; V394-L397 PolarHBondContact O-N 3.06Å; V394-H398 HydrophobicContact CG1-CB 4.34Å; V394-H398 WeakPolarHBondContact O-CB 3.3Å; V394-H398 PolarHBondContact O-N 3.39Å; V394-L421 HydrophobicContact CB-CD1 4.48Å; V394-L421 HydrophobicContact CG1-CD1 4.28Å; V394-L421 HydrophobicContact CG2-CD1 4.37Å; V394-A424 HydrophobicContact CG2-CB 3.73Å; V394-A425 HydrophobicContact CG2-CB 4.03Å; V394-L436 HydrophobicContact CG1-CD2 3.81Å
395	A	98.6	Very high	98	Very high	52 Å²	52	53.9 Å²	53.9	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-34	-179.1	0	0	0	0	0	112.6	S391 Q392 P399	S391-A395 PolarHBondContact O-N 3.37Å; Q392-A395 WeakPolarHBondContact O-CB 3.41Å; Q392-A395 PolarHBondContact O-N 3.49Å; Q392-A395 VanDerWaalsContact O-N 3.11Å; A395-P399 WeakPolarHBondContact O-CD 3.4Å; A395-P399 WeakPolarHBondContact O-CG 3.49Å
396	L	98.7	Very high	97.9	Very high	30 Å²	30	55.1 Å²	55.1	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-81	-44.5	177.8	-68.6	168	0	0	0	112.8	E380 A381 E384 Q392 A393 V394 L400	E380-L396 HydrophobicContact CB-CD1 3.84Å; A381-L396 HydrophobicContact CB-CB 3.72Å; A381-L396 HydrophobicContact CB-CD1 4.19Å; E384-L396 HydrophobicContact CG-CD1 4.13Å; Q392-L396 HydrophobicContact CG-CD1 4.14Å; Q392-L396 WeakPolarHBondContact O-CG 3.48Å; Q392-L396 PolarHBondContact O-N 3.35Å; A393-L396 PolarHBondContact O-N 2.59Å; V394-L396 PolarHBondContact O-N 2.87Å; L396-L400 WeakPolarHBondContact O-CD1 3.47Å; L396-L400 WeakPolarHBondContact O-CG 3.21Å
397	L	98.4	Very high	97.9	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-80.5	-38.6	-175.3	-77	166.1	0	0	0	114.1	M378 A381 A393 V394 L400 R401 M404 L420 L421	M378-L397 HydrophobicContact CG-CD2 4.13Å; A381-L397 HydrophobicContact CB-CD1 3.75Å; A381-L397 HydrophobicContact CB-CD2 3.99Å; A381-L397 HydrophobicContact CB-CG 3.41Å; A381-L397 VanDerWaalsContact CB-CG 3.41Å; A393-L397 WeakPolarHBondContact O-CB 3.16Å; A393-L397 PolarHBondContact O-N 3.48Å; V394-L397 PolarHBondContact O-N 3.06Å; L397-L400 WeakPolarHBondContact O-CB 3.4Å; L397-L400 PolarHBondContact O-N 3.06Å; L397-R401 PolarHBondContact O-N 2.98Å; L397-M404 HydrophobicContact CD2-CE 3.8Å; L397-L420 HydrophobicContact CD1-CD2 3.87Å; L397-L420 HydrophobicContact CD1-CG 3.92Å; L397-L421 HydrophobicContact CB-CB 4.37Å; L397-L421 HydrophobicContact CB-CD1 3.95Å
398	H	98.6	Very high	98	Very high	67 Å²	67	45.4 Å²	45.4	31%	0.31	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-57.6	-43.2	-172.7	175.8	-112.8	0	0	0	113.4	V394 L400 R401 L421 L436	V394-H398 HydrophobicContact CG1-CB 4.34Å; V394-H398 WeakPolarHBondContact O-CB 3.3Å; V394-H398 PolarHBondContact O-N 3.39Å; H398-L400 PolarHBondContact O-N 3.32Å; H398-R401 WeakPolarHBondContact O-CG 3.25Å; H398-R401 PolarHBondContact O-N 3.38Å; H398-L421 HydrophobicContact CB-CD1 4.03Å; H398-L421 HydrophobicContact CB-CD2 4.42Å; H398-L436 HydrophobicContact CB-CD2 4.29Å
399	P	98.4	Very high	98	Very high	93 Å²	93	43.9 Å²	43.9	60%	0.604	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-62.5	-20.8	175.8	-23	35.1	0	0	0	114.5	A395	A395-P399 WeakPolarHBondContact O-CD 3.4Å; A395-P399 WeakPolarHBondContact O-CG 3.49Å
400	L	98.2	Very high	97.9	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-95.6	-9.9	-173.6	-52.8	174.8	0	0	0	113.3	L374 P377 M378 L396 L397 H398 Y402 R403 M404	L374-L400 HydrophobicContact CD1-CB 4.06Å; L374-L400 HydrophobicContact CD1-CD1 4.25Å; L374-L400 HydrophobicContact CD1-CD2 4.16Å; L374-L400 HydrophobicContact CD1-CG 4.37Å; P377-L400 HydrophobicContact CB-CD1 3.68Å; M378-L400 HydrophobicContact CG-CD1 3.75Å; L396-L400 WeakPolarHBondContact O-CD1 3.47Å; L396-L400 WeakPolarHBondContact O-CG 3.21Å; L397-L400 WeakPolarHBondContact O-CB 3.4Å; L397-L400 PolarHBondContact O-N 3.06Å; H398-L400 PolarHBondContact O-N 3.32Å; L400-Y402 PolarHBondContact O-N 3.24Å; L400-R403 CarbonylContact O-C 3.56Å; L400-R403 WeakPolarHBondContact O-CA 3.41Å; L400-R403 PolarHBondContact O-N 2.91Å; L400-M404 PolarHBondContact O-N 2.86Å; L400-M404 VanDerWaalsContact O-N 3.08Å
401	R	96	Very high	97.8	Very high	48 Å²	48	39.3 Å²	39.3	18%	0.181	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-32.4	-167.7	74.7	-171	-168.7	106.9	-20.4	115.6	L397 H398 L421 E443	L397-R401 PolarHBondContact O-N 2.98Å; H398-R401 WeakPolarHBondContact O-CG 3.25Å; H398-R401 PolarHBondContact O-N 3.38Å; R401-L421 HydrophobicContact CB-CD2 4.25Å; R401-E443 IonicContact CZ-OE2 3.94Å; R401-E443 IonicContact NH1-OE1 3.2Å; R401-E443 IonicContact NH1-OE2 2.69Å; R401-E443 PolarHBondContact NH1-OE2 3.46Å; R401-E443 IonicContact NH2-OE1 2.93Å; R401-E443 PolarHBondContact NH2-OE1 2.97Å; R401-E443 IonicContact NH2-OE2 3.64Å
402	Y	96.4	Very high	97.8	Very high	172 Å²	172	37.3 Å²	37.3	68%	0.675	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9	178.2	-64.8	-57	0	0	0	114.3	L400	L400-Y402 PolarHBondContact O-N 3.24Å
403	R	97.2	Very high	97.7	Very high	92 Å²	92	33 Å²	33	35%	0.347	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-5	177.5	-65.5	-169.3	61.3	-148.7	-7.3	113	S373 L374 L400 V405 D406	S373-R403 PolarHBondContact OG-NH1 3.2Å; S373-R403 PolarHBondContact OG-NH2 2.92Å; L374-R403 HydrophobicContact CD1-CB 4.31Å; L400-R403 CarbonylContact O-C 3.56Å; L400-R403 WeakPolarHBondContact O-CA 3.41Å; L400-R403 PolarHBondContact O-N 2.91Å; R403-V405 PolarHBondContact O-N 3.05Å; R403-D406 IonicContact CZ-OD2 2.89Å; R403-D406 IonicContact NE-OD2 2.73Å; R403-D406 PolarHBondContact NE-OD2 3.12Å; R403-D406 IonicContact NH2-OD2 2.73Å; R403-D406 PolarHBondContact NH2-OD2 3.46Å; R403-D406 VanDerWaalsContact O-CB 3.3Å; R403-D406 WeakPolarHBondContact O-CB 3.3Å; R403-D406 PolarHBondContact O-N 2.72Å
404	M	96.3	Very high	97.6	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.02	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-57.3	-23.2	176.4	-70.7	176.8	177.5	0	0	112.5	M378 L397 L400 D406 I407 R414 F417	M378-M404 HydrophobicContact CE-CG 4.27Å; L397-M404 HydrophobicContact CD2-CE 3.8Å; L400-M404 PolarHBondContact O-N 2.86Å; L400-M404 VanDerWaalsContact O-N 3.08Å; M404-D406 PolarHBondContact O-N 2.83Å; M404-I407 WeakPolarHBondContact O-CG1 3.18Å; M404-I407 PolarHBondContact O-N 2.97Å; M404-R414 WeakPolarHBondContact O-CD 3.46Å; M404-F417 HydrophobicContact CE-CB 3.92Å; M404-F417 HydrophobicContact SD-CB 3.57Å; M404-F417 VanDerWaalsContact SD-CB 3.57Å
405	V	97.6	Very high	97.6	Very high	39 Å²	39	34 Å²	34	24%	0.236	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-58.2	-34.3	172.2	66.6	0	0	0	0	112.4	G155 R403 I407 G408	G155-V405 WeakPolarHBondContact CA-O 3.2Å; G155-V405 WeakPolarHBondContact O-CG2 3.33Å; R403-V405 PolarHBondContact O-N 3.05Å; V405-I407 PolarHBondContact O-N 3.33Å; V405-G408 PolarHBondContact O-N 3.39Å
406	D	98.1	Very high	97.5	Very high	50 Å²	50	31.6 Å²	31.6	27%	0.267	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-65.5	-13.3	-175.5	-58.2	-19.4	0	0	0	113.2	L370 L374 R403 M404 G408	L370-D406 HydrophobicContact CD1-CB 4.35Å; L370-D406 WeakPolarHBondContact CD1-O 3.42Å; L370-D406 HydrophobicContact CD2-CB 4.47Å; L374-D406 HydrophobicContact CD2-CB 3.65Å; R403-D406 IonicContact CZ-OD2 2.89Å; R403-D406 IonicContact NE-OD2 2.73Å; R403-D406 PolarHBondContact NE-OD2 3.12Å; R403-D406 IonicContact NH2-OD2 2.73Å; R403-D406 PolarHBondContact NH2-OD2 3.46Å; R403-D406 VanDerWaalsContact O-CB 3.3Å; R403-D406 WeakPolarHBondContact O-CB 3.3Å; R403-D406 PolarHBondContact O-N 2.72Å; M404-D406 PolarHBondContact O-N 2.83Å; D406-G408 VanDerWaalsContact C-N 3.29Å
407	I	97.8	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-79.4	-12.8	175	78.9	-166.1	0	0	0	112.5	L329 F330 L333 L374 M378 M404 V405 R414 F417	L329-I407 HydrophobicContact CB-CB 4.38Å; L329-I407 HydrophobicContact CB-CG2 4.48Å; F330-I407 WeakPolarHBondContact CB-O 3.38Å; F330-I407 HydrophobicContact CD2-CD1 4.27Å; F330-I407 HydrophobicContact CD2-CG1 4.13Å; L333-I407 HydrophobicContact CD1-CD1 3.92Å; L374-I407 HydrophobicContact CD2-CG2 3.47Å; L374-I407 VanDerWaalsContact CD2-CG2 3.47Å; L374-I407 HydrophobicContact CG-CG2 3.81Å; M378-I407 HydrophobicContact CE-CD1 3.98Å; M378-I407 HydrophobicContact SD-CG2 3.95Å; M404-I407 WeakPolarHBondContact O-CG1 3.18Å; M404-I407 PolarHBondContact O-N 2.97Å; V405-I407 PolarHBondContact O-N 3.33Å; I407-R414 HydrophobicContact CD1-CG 4.34Å; I407-F417 HydrophobicContact CD1-CD2 3.99Å; I407-F417 HydrophobicContact CD1-CE2 3.61Å; I407-F417 HydrophobicContact CD1-CZ 4.28Å
408	G	98	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.			trans	87.8	-164.6	-171.8	0	0	0	0	0	114.1	F152 Y153 V405 D406 R414	F152-G408 WeakPolarHBondContact O-CA 3.43Å; Y153-G408 WeakPolarHBondContact O-CA 3.49Å; V405-G408 PolarHBondContact O-N 3.39Å; D406-G408 VanDerWaalsContact C-N 3.29Å; G408-R414 VanDerWaalsContact C-NH1 3.3Å; G408-R414 WeakPolarHBondContact O-CD 3.39Å; G408-R414 WeakPolarHBondContact O-CG 3.39Å; G408-R414 PolarHBondContact O-NH1 3.41Å
409	G	97.2	Very high	97.4	Very high	3 Å²	3	30 Å²	30	3%	0.031	14%	0.144	C	C	.	.	S	Bend	trans	83.8	-175.3	-172.8	0	0	0	0	0	112.8	F152 R414	F152-G409 WeakPolarHBondContact CE2-O 3.44Å; F152-G409 VanDerWaalsContact CZ-CA 3.44Å; F152-G409 PolarHBondContact O-N 3.07Å; G409-R414 PolarHBondContact O-NH1 3.36Å
410	S	97.9	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.116	C	C	.	.			trans	-95.6	167.8	170.3	66.6	0	0	0	0	112.4	E191 H221 A412 Q413 R414	E191-S410 WeakPolarHBondContact OE1-CB 3.22Å; E191-S410 WeakPolarHBondContact OE2-CA 3.35Å; H221-S410 VanDerWaalsContact NE2-CB 3.27Å; H221-S410 WeakPolarHBondContact NE2-CB 3.45Å; H221-S410 PolarHBondContact NE2-OG 3.1Å; H221-S410 VanDerWaalsContact NE2-OG 3.17Å; S410-A412 VanDerWaalsContact C-N 3.28Å; S410-A412 PolarHBondContact O-N 3.22Å; S410-Q413 PolarHBondContact O-N 2.95Å; S410-Q413 WeakPolarHBondContact OG-CG 3.46Å; S410-Q413 PolarHBondContact OG-N 2.61Å; S410-Q413 PolarHBondContact OG-OE1 2.85Å; S410-Q413 VanDerWaalsContact OG-OE1 3.08Å; S410-R414 PolarHBondContact O-N 2.91Å
411	D	96.8	Very high	97.5	Very high	25 Å²	25	25 Å²	25	13%	0.134	11%	0.113	C	C	.	.	H	α-helix	trans	-57.8	-41.4	175.6	-85.1	-8.4	0	0	0	111.9	Q157 E191 M225 R414 D415	Q157-D411 PolarHBondContact NE2-OD1 3.26Å; Q157-D411 VanDerWaalsContact NE2-OD1 3.09Å; E191-D411 PolarHBondContact OE1-N 3.2Å; E191-D411 VanDerWaalsContact OE1-N 3.14Å; E191-D411 PolarHBondContact OE2-N 2.64Å; M225-D411 HydrophobicContact CE-CB 3.7Å; M225-D411 HydrophobicContact SD-CB 4.04Å; D411-R414 PolarHBondContact O-N 3.28Å; D411-R414 IonicContact OD1-CZ 3.48Å; D411-R414 IonicContact OD1-NH2 3.45Å; D411-R414 PolarHBondContact OD1-NH2 2.97Å; D411-D415 PolarHBondContact O-N 2.7Å
412	A	96.5	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-43.7	176.4	0	0	0	0	0	112.8	H221 E224 M225 W255 R300 S410 D415	H221-A412 WeakPolarHBondContact NE2-CB 3.47Å; E224-A412 WeakPolarHBondContact OE1-CB 3.22Å; E224-A412 WeakPolarHBondContact OE2-CB 3.48Å; M225-A412 HydrophobicContact SD-CB 4.13Å; W255-A412 HydrophobicContact CH2-CB 4.23Å; W255-A412 HydrophobicContact CZ3-CB 4.24Å; R300-A412 PolarHBondContact NH2-O 3.44Å; S410-A412 VanDerWaalsContact C-N 3.28Å; S410-A412 PolarHBondContact O-N 3.22Å; A412-D415 WeakPolarHBondContact O-CB 3.46Å; A412-D415 PolarHBondContact O-N 2.95Å
413	Q	98	Very high	97.7	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.009	8%	0.075	C	C	.	.	H	α-helix	trans	-66.7	-45.4	178.6	-74.8	169.3	-50.1	0	0	111.4	W255 F330 S410 D415 L416	W255-Q413 HydrophobicContact CH2-CB 4.49Å; W255-Q413 HydrophobicContact CH2-CG 3.76Å; W255-Q413 HydrophobicContact CZ2-CG 4.24Å; W255-Q413 HydrophobicContact CZ3-CG 4.26Å; F330-Q413 HydrophobicContact CE2-CB 4.02Å; F330-Q413 HydrophobicContact CZ-CB 3.8Å; F330-Q413 HydrophobicContact CZ-CG 4.23Å; S410-Q413 PolarHBondContact O-N 2.95Å; S410-Q413 WeakPolarHBondContact OG-CG 3.46Å; S410-Q413 PolarHBondContact OG-N 2.61Å; S410-Q413 PolarHBondContact OG-OE1 2.85Å; S410-Q413 VanDerWaalsContact OG-OE1 3.08Å; Q413-D415 PolarHBondContact O-N 2.9Å; Q413-L416 WeakPolarHBondContact O-CB 3.33Å; Q413-L416 PolarHBondContact O-N 3.4Å
414	R	97.3	Very high	97.7	Very high	10 Å²	10	10.8 Å²	10.8	4%	0.038	6%	0.058	C	C	.	.	H	α-helix	trans	-69.5	-20.8	179.3	-72.5	-171.8	-65.4	-86	-8.3	113.8	E191 M404 I407 G408 G409 S410 D411 L416 F417	E191-R414 IonicContact OE2-NH2 2.73Å; E191-R414 PolarHBondContact OE2-NH2 3.49Å; M404-R414 WeakPolarHBondContact O-CD 3.46Å; I407-R414 HydrophobicContact CD1-CG 4.34Å; G408-R414 VanDerWaalsContact C-NH1 3.3Å; G408-R414 WeakPolarHBondContact O-CD 3.39Å; G408-R414 WeakPolarHBondContact O-CG 3.39Å; G408-R414 PolarHBondContact O-NH1 3.41Å; G409-R414 PolarHBondContact O-NH1 3.36Å; S410-R414 PolarHBondContact O-N 2.91Å; D411-R414 PolarHBondContact O-N 3.28Å; D411-R414 IonicContact OD1-CZ 3.48Å; D411-R414 IonicContact OD1-NH2 3.45Å; D411-R414 PolarHBondContact OD1-NH2 2.97Å; R414-L416 PolarHBondContact O-N 3.23Å; R414-F417 PolarHBondContact O-N 2.99Å
415	D	96.9	Very high	97.9	Very high	14 Å²	14	10.6 Å²	10.6	8%	0.075	6%	0.057	C	C	.	.	H	α-helix	trans	-54.6	-24.4	176.9	-167.6	53.1	0	0	0	112.9	D411 A412 Q413 F417 N418 Q419 R444	D411-D415 PolarHBondContact O-N 2.7Å; A412-D415 WeakPolarHBondContact O-CB 3.46Å; A412-D415 PolarHBondContact O-N 2.95Å; Q413-D415 PolarHBondContact O-N 2.9Å; D415-F417 VanDerWaalsContact C-N 3.3Å; D415-F417 PolarHBondContact O-N 3.21Å; D415-N418 PolarHBondContact O-N 3.43Å; D415-Q419 WeakPolarHBondContact O-CG 3.44Å; D415-Q419 PolarHBondContact O-N 3.37Å; D415-Q419 PolarHBondContact OD2-NE2 3.17Å; D415-R444 IonicContact OD1-CZ 2.99Å; D415-R444 IonicContact OD1-NH1 3.31Å; D415-R444 PolarHBondContact OD1-NH1 3.26Å; D415-R444 IonicContact OD1-NH2 2.72Å; D415-R444 IonicContact OD2-CZ 3.24Å; D415-R444 VanDerWaalsContact OD2-CZ 3.28Å; D415-R444 IonicContact OD2-NH1 3.88Å; D415-R444 PolarHBondContact OD2-NH1 2.86Å; D415-R444 IonicContact OD2-NH2 3.9Å; D415-R444 PolarHBondContact OD2-NH2 3.3Å
416	L	97.6	Very high	97.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-52.2	-46.4	172.1	-171.9	94.5	0	0	0	112.7	Y299 R300 M303 M337 Q413 R414 N418 Q419 L420	Y299-L416 HydrophobicContact CD1-CD1 3.94Å; Y299-L416 HydrophobicContact CD1-CD2 4.02Å; Y299-L416 HydrophobicContact CD1-CG 4.09Å; Y299-L416 HydrophobicContact CG-CD1 4.49Å; R300-L416 HydrophobicContact CG-CD1 3.36Å; M303-L416 HydrophobicContact CE-CD1 4.1Å; M303-L416 HydrophobicContact CE-CG 4.5Å; M337-L416 HydrophobicContact CE-CD2 3.1Å; M337-L416 HydrophobicContact SD-CD2 3.59Å; M337-L416 VanDerWaalsContact SD-CD2 3.59Å; Q413-L416 WeakPolarHBondContact O-CB 3.33Å; Q413-L416 PolarHBondContact O-N 3.4Å; R414-L416 PolarHBondContact O-N 3.23Å; L416-N418 VanDerWaalsContact C-N 3.35Å; L416-Q419 WeakPolarHBondContact O-CB 3.4Å; L416-Q419 PolarHBondContact O-N 3.47Å; L416-L420 PolarHBondContact O-N 3.39Å
417	F	98.3	Very high	97.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-73	-31.1	-176.5	-57.7	-72	0	0	0	111.7	L333 M337 M378 M382 M404 I407 R414 D415 L420 L421	L333-F417 HydrophobicContact CB-CE1 4.07Å; L333-F417 HydrophobicContact CB-CZ 3.84Å; L333-F417 HydrophobicContact CD1-CE1 4.01Å; L333-F417 HydrophobicContact CD1-CE2 4.44Å; L333-F417 HydrophobicContact CD1-CZ 3.75Å; L333-F417 HydrophobicContact CD2-CE1 4.38Å; L333-F417 HydrophobicContact CG-CE1 4.39Å; L333-F417 HydrophobicContact CG-CZ 4.33Å; M337-F417 HydrophobicContact CE-CE1 3.64Å; M337-F417 HydrophobicContact CE-CZ 3.72Å; M378-F417 HydrophobicContact CE-CB 4.15Å; M378-F417 HydrophobicContact CE-CD1 3.54Å; M378-F417 HydrophobicContact CE-CD2 4.01Å; M378-F417 HydrophobicContact CE-CE1 3.87Å; M378-F417 HydrophobicContact CE-CE2 4.31Å; M378-F417 HydrophobicContact CE-CG 3.62Å; M378-F417 HydrophobicContact CE-CZ 4.25Å; M382-F417 HydrophobicContact SD-CE1 4.26Å; M404-F417 HydrophobicContact CE-CB 3.92Å; M404-F417 HydrophobicContact SD-CB 3.57Å; M404-F417 VanDerWaalsContact SD-CB 3.57Å; I407-F417 HydrophobicContact CD1-CD2 3.99Å; I407-F417 HydrophobicContact CD1-CE2 3.61Å; I407-F417 HydrophobicContact CD1-CZ 4.28Å; R414-F417 PolarHBondContact O-N 2.99Å; D415-F417 VanDerWaalsContact C-N 3.3Å; D415-F417 PolarHBondContact O-N 3.21Å; F417-L420 PolarHBondContact O-N 3.33Å; F417-L421 PolarHBondContact O-N 2.92Å
418	N	97.6	Very high	97.8	Very high	56 Å²	56	11.7 Å²	11.7	30%	0.299	6%	0.057	S	C	.	.	H	α-helix	trans	-65.5	-43	169.9	-70.3	-48.5	0	0	0	111.2	D415 L416 L421 I422	D415-N418 PolarHBondContact O-N 3.43Å; L416-N418 VanDerWaalsContact C-N 3.35Å; N418-L421 PolarHBondContact O-N 3.17Å; N418-I422 WeakPolarHBondContact O-CG1 3.32Å; N418-I422 PolarHBondContact O-N 3.23Å
419	Q	98.1	Very high	97.6	Very high	9 Å²	9	18.3 Å²	18.3	4%	0.042	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-45	174	-69.3	178.2	25.9	0	0	111.2	M303 D415 L416 L421 I422 H423	M303-Q419 HydrophobicContact CE-CB 3.92Å; M303-Q419 HydrophobicContact SD-CB 4.45Å; D415-Q419 WeakPolarHBondContact O-CG 3.44Å; D415-Q419 PolarHBondContact O-N 3.37Å; D415-Q419 PolarHBondContact OD2-NE2 3.17Å; L416-Q419 WeakPolarHBondContact O-CB 3.4Å; L416-Q419 PolarHBondContact O-N 3.47Å; Q419-L421 VanDerWaalsContact C-N 3.32Å; Q419-L421 PolarHBondContact O-N 3.23Å; Q419-I422 WeakPolarHBondContact O-CB 3.5Å; Q419-I422 PolarHBondContact O-N 3.12Å; Q419-I422 VanDerWaalsContact O-N 3.1Å; Q419-H423 PolarHBondContact O-CD2 3.45Å; Q419-H423 PolarHBondContact O-N 3.08Å
420	L	98.7	Very high	97.6	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-55.7	-45.7	175.9	178.5	59.5	0	0	0	111.9	Y299 M303 M382 Y385 L397 L416 F417 H423 A424	Y299-L420 HydrophobicContact CE1-CD1 4.07Å; Y299-L420 HydrophobicContact CE1-CD2 4.4Å; Y299-L420 WeakPolarHBondContact OH-CD1 3.49Å; M303-L420 HydrophobicContact SD-CB 4.34Å; M303-L420 HydrophobicContact SD-CD1 4.47Å; M382-L420 HydrophobicContact CG-CD2 3.7Å; Y385-L420 HydrophobicContact CD1-CD1 3.62Å; Y385-L420 HydrophobicContact CD2-CD1 3.52Å; Y385-L420 HydrophobicContact CE1-CD1 3.78Å; Y385-L420 HydrophobicContact CE2-CD1 3.72Å; Y385-L420 HydrophobicContact CG-CD1 3.48Å; Y385-L420 VanDerWaalsContact CG-CD1 3.48Å; L397-L420 HydrophobicContact CD1-CD2 3.87Å; L397-L420 HydrophobicContact CD1-CG 3.92Å; L416-L420 PolarHBondContact O-N 3.39Å; F417-L420 PolarHBondContact O-N 3.33Å; L420-H423 PolarHBondContact O-N 3.21Å; L420-A424 VanDerWaalsContact O-CB 3.32Å; L420-A424 WeakPolarHBondContact O-CB 3.44Å; L420-A424 PolarHBondContact O-N 2.85Å
421	L	98.8	Very high	97.5	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-42.5	175.9	174.1	61	0	0	0	112.1	V394 L397 H398 R401 F417 N418 Q419 A424 A425 L440	V394-L421 HydrophobicContact CB-CD1 4.48Å; V394-L421 HydrophobicContact CG1-CD1 4.28Å; V394-L421 HydrophobicContact CG2-CD1 4.37Å; L397-L421 HydrophobicContact CB-CB 4.37Å; L397-L421 HydrophobicContact CB-CD1 3.95Å; H398-L421 HydrophobicContact CB-CD1 4.03Å; H398-L421 HydrophobicContact CB-CD2 4.42Å; R401-L421 HydrophobicContact CB-CD2 4.25Å; F417-L421 PolarHBondContact O-N 2.92Å; N418-L421 PolarHBondContact O-N 3.17Å; Q419-L421 VanDerWaalsContact C-N 3.32Å; Q419-L421 PolarHBondContact O-N 3.23Å; L421-A424 PolarHBondContact O-N 3.46Å; L421-A425 VanDerWaalsContact O-CB 3.27Å; L421-A425 WeakPolarHBondContact O-CB 3.4Å; L421-A425 PolarHBondContact O-N 2.89Å; L421-L440 HydrophobicContact CD2-CD1 3.88Å; L421-L440 HydrophobicContact CG-CD1 3.79Å
422	I	98.6	Very high	97.5	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-49.4	175.5	-71	165.5	0	0	0	110.4	N418 Q419 A424 A425 M426 L440 L441 L457	N418-I422 WeakPolarHBondContact O-CG1 3.32Å; N418-I422 PolarHBondContact O-N 3.23Å; Q419-I422 WeakPolarHBondContact O-CB 3.5Å; Q419-I422 PolarHBondContact O-N 3.12Å; Q419-I422 VanDerWaalsContact O-N 3.1Å; I422-A424 PolarHBondContact O-N 3.48Å; I422-A425 PolarHBondContact O-N 3.47Å; I422-M426 HydrophobicContact CG2-SD 3.76Å; I422-M426 VanDerWaalsContact O-CG 3.32Å; I422-M426 WeakPolarHBondContact O-CG 3.38Å; I422-M426 PolarHBondContact O-N 3.38Å; I422-L440 HydrophobicContact CD1-CB 4.39Å; I422-L440 HydrophobicContact CG1-CB 3.82Å; I422-L440 HydrophobicContact CG1-CD1 4.22Å; I422-L441 HydrophobicContact CD1-CD2 4.26Å; I422-L441 HydrophobicContact CG2-CD1 4.4Å; I422-L441 HydrophobicContact CG2-CD2 3.89Å; I422-L441 HydrophobicContact CG2-CG 4.02Å; I422-L457 HydrophobicContact CG2-CD1 4.48Å
423	H	98.5	Very high	97.5	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-42.5	178.5	-81.8	-84.8	0	0	0	111.8	M303 Y385 Q419 L420 M426 K427	M303-H423 PolarHBondContact O-CE1 2.87Å; M303-H423 VanDerWaalsContact O-CE1 3.29Å; Y385-H423 HydrophobicContact CE2-CB 4.09Å; Q419-H423 PolarHBondContact O-CD2 3.45Å; Q419-H423 PolarHBondContact O-N 3.08Å; L420-H423 PolarHBondContact O-N 3.21Å; H423-M426 PolarHBondContact O-N 2.91Å; H423-K427 WeakPolarHBondContact O-CB 3.34Å; H423-K427 VanDerWaalsContact O-CG 3.31Å; H423-K427 WeakPolarHBondContact O-CG 3.21Å; H423-K427 PolarHBondContact O-N 3.35Å
424	A	98.5	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-45	175.8	0	0	0	0	0	111.3	Y385 F390 A393 V394 L420 L421 I422 M426 K427 S428	Y385-A424 HydrophobicContact CD2-CB 3.81Å; Y385-A424 HydrophobicContact CE2-CB 4.1Å; F390-A424 WeakPolarHBondContact CB-O 3.5Å; A393-A424 HydrophobicContact CB-CB 4.14Å; V394-A424 HydrophobicContact CG2-CB 3.73Å; L420-A424 VanDerWaalsContact O-CB 3.32Å; L420-A424 WeakPolarHBondContact O-CB 3.44Å; L420-A424 PolarHBondContact O-N 2.85Å; L421-A424 PolarHBondContact O-N 3.46Å; I422-A424 PolarHBondContact O-N 3.48Å; A424-M426 VanDerWaalsContact C-N 3.3Å; A424-M426 PolarHBondContact O-N 2.99Å; A424-K427 PolarHBondContact O-N 3.17Å; A424-S428 WeakPolarHBondContact O-CB 3.28Å; A424-S428 PolarHBondContact O-N 3.15Å
425	A	98.6	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-36.9	178.1	0	0	0	0	0	112.4	V394 L421 I422 H433	V394-A425 HydrophobicContact CG2-CB 4.03Å; L421-A425 VanDerWaalsContact O-CB 3.27Å; L421-A425 WeakPolarHBondContact O-CB 3.4Å; L421-A425 PolarHBondContact O-N 2.89Å; I422-A425 PolarHBondContact O-N 3.47Å; A425-H433 CarbonylContact O-C 3.53Å
426	M	97.6	Very high	97.5	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-73.3	-35.2	176.1	-71.4	170.5	55.8	0	0	113.3	I422 H423 A424 L441 K460 A461 L464 H465	I422-M426 HydrophobicContact CG2-SD 3.76Å; I422-M426 VanDerWaalsContact O-CG 3.32Å; I422-M426 WeakPolarHBondContact O-CG 3.38Å; I422-M426 PolarHBondContact O-N 3.38Å; H423-M426 PolarHBondContact O-N 2.91Å; A424-M426 VanDerWaalsContact C-N 3.3Å; A424-M426 PolarHBondContact O-N 2.99Å; M426-L441 HydrophobicContact SD-CD1 4.25Å; M426-K460 HydrophobicContact CE-CB 3.7Å; M426-A461 HydrophobicContact CE-CB 3.87Å; M426-A461 HydrophobicContact CG-CB 4.25Å; M426-A461 HydrophobicContact SD-CB 4.06Å; M426-L464 HydrophobicContact CE-CD1 4.13Å; M426-H465 PolarHBondContact O-CE1 3.32Å; M426-H465 PolarHBondContact O-NE2 3.13Å
427	K	97	Very high	97.6	Very high	97 Å²	97	41.2 Å²	41.2	42%	0.422	20%	0.196	S	C	.	.	H	α-helix	trans	-87.1	-13.9	-177.9	-68.4	176.8	177.4	176.7	0	113.9	Y385 F390 H423 A424	Y385-K427 HydrophobicContact CE2-CD 4.42Å; Y385-K427 PolarHBondContact OH-NZ 2.93Å; F390-K427 HydrophobicContact CB-CB 4.24Å; F390-K427 HydrophobicContact CD1-CB 3.92Å; F390-K427 HydrophobicContact CD1-CD 4.22Å; F390-K427 HydrophobicContact CD2-CB 3.44Å; F390-K427 VanDerWaalsContact CD2-CB 3.44Å; F390-K427 VanDerWaalsContact CD2-O 3.32Å; F390-K427 WeakPolarHBondContact CD2-O 3.42Å; F390-K427 HydrophobicContact CE1-CB 4.12Å; F390-K427 HydrophobicContact CE1-CD 3.7Å; F390-K427 HydrophobicContact CE2-CB 3.66Å; F390-K427 HydrophobicContact CE2-CD 4.12Å; F390-K427 HydrophobicContact CE2-CG 4.45Å; F390-K427 HydrophobicContact CG-CB 3.58Å; F390-K427 HydrophobicContact CZ-CB 3.99Å; F390-K427 HydrophobicContact CZ-CD 3.64Å; F390-K427 HydrophobicContact CZ-CG 4.44Å; H423-K427 WeakPolarHBondContact O-CB 3.34Å; H423-K427 VanDerWaalsContact O-CG 3.31Å; H423-K427 WeakPolarHBondContact O-CG 3.21Å; H423-K427 PolarHBondContact O-N 3.35Å; A424-K427 PolarHBondContact O-N 3.17Å
428	S	97.6	Very high	97.5	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.028	21%	0.213	C	C	.	.	S	Bend	trans	-60.3	150.6	176.4	-179.6	0	0	0	0	111.7	A424 N430 H433 H434	A424-S428 WeakPolarHBondContact O-CB 3.28Å; A424-S428 PolarHBondContact O-N 3.15Å; S428-N430 VanDerWaalsContact C-N 3.3Å; S428-N430 PolarHBondContact OG-N 3.07Å; S428-H433 PolarHBondContact OG-ND1 3.12Å; S428-H434 PolarHBondContact O-NE2 3.17Å
429	D	94.9	Very high	97.5	Very high	139 Å²	139	46.3 Å²	46.3	74%	0.743	22%	0.221	S	C	*	.	S	Bend	trans	-79	-10.7	170.9	60.1	-16.7	0	0	0	113.5
430	N	95.9	Very high	97.5	Very high	61 Å²	61	46.5 Å²	46.5	33%	0.326	22%	0.222	S	C	.	.			trans	-84.3	117.6	-177.6	-175.3	-16.7	0	0	0	112	S428 Q432 H433 H434	S428-N430 VanDerWaalsContact C-N 3.3Å; S428-N430 PolarHBondContact OG-N 3.07Å; N430-Q432 PolarHBondContact O-N 3.29Å; N430-Q432 VanDerWaalsContact O-N 3.1Å; N430-Q432 WeakPolarHBondContact OD1-CB 3.48Å; N430-Q432 PolarHBondContact OD1-N 3.07Å; N430-H433 HydrophobicContact CB-CB 4.26Å; N430-H433 WeakPolarHBondContact O-CA 3.43Å; N430-H433 WeakPolarHBondContact O-CB 3.47Å; N430-H433 PolarHBondContact O-N 3.34Å; N430-H434 PolarHBondContact O-N 2.86Å
431	K	95.3	Very high	97.5	Very high	167 Å²	167	46.6 Å²	46.6	73%	0.726	22%	0.223	S	C	*	.	H	α-helix	trans	-56.4	-28.3	177.6	-66.8	-174.6	179	-178.3	0	114.4	K435	K431-K435 PolarHBondContact O-N 3.43Å
432	Q	97	Very high	97.4	Very high	114 Å²	114	51.4 Å²	51.4	53%	0.533	25%	0.252	S	S	.	.	H	α-helix	trans	-70.9	-35.1	175.2	-173.4	60.8	17.5	0	0	111.3	N430 H434 K435 L436	N430-Q432 PolarHBondContact O-N 3.29Å; N430-Q432 VanDerWaalsContact O-N 3.1Å; N430-Q432 WeakPolarHBondContact OD1-CB 3.48Å; N430-Q432 PolarHBondContact OD1-N 3.07Å; Q432-H434 VanDerWaalsContact C-N 3.34Å; Q432-K435 WeakPolarHBondContact O-CB 3.33Å; Q432-K435 PolarHBondContact O-N 3.13Å; Q432-L436 PolarHBondContact O-N 3.36Å
433	H	98.1	Very high	97.3	Very high	26 Å²	26	55.1 Å²	55.1	12%	0.12	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-35.1	174.8	-62	170.7	0	0	0	111.4	S391 A425 S428 N430 K435 L436 G437	S391-H433 PolarHBondContact O-CE1 3.01Å; S391-H433 PolarHBondContact OG-CE1 3.24Å; S391-H433 VanDerWaalsContact OG-CE1 3.23Å; A425-H433 CarbonylContact O-C 3.53Å; S428-H433 PolarHBondContact OG-ND1 3.12Å; N430-H433 HydrophobicContact CB-CB 4.26Å; N430-H433 WeakPolarHBondContact O-CA 3.43Å; N430-H433 WeakPolarHBondContact O-CB 3.47Å; N430-H433 PolarHBondContact O-N 3.34Å; H433-K435 VanDerWaalsContact C-N 3.32Å; H433-K435 PolarHBondContact O-N 3.06Å; H433-L436 CarbonylContact O-C 3.38Å; H433-L436 WeakPolarHBondContact O-CB 3.31Å; H433-L436 PolarHBondContact O-N 3.33Å; H433-L436 VanDerWaalsContact O-N 3.14Å; H433-G437 PolarHBondContact O-N 3.2Å
434	H	97.3	Very high	97.2	Very high	30 Å²	30	55.3 Å²	55.3	14%	0.139	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-41.3	172.4	-54.8	156.6	0	0	0	112.5	S428 N430 Q432 G437 R438 H465	S428-H434 PolarHBondContact O-NE2 3.17Å; N430-H434 PolarHBondContact O-N 2.86Å; Q432-H434 VanDerWaalsContact C-N 3.34Å; H434-G437 PolarHBondContact O-N 3.35Å; H434-R438 WeakPolarHBondContact O-CG 3.43Å; H434-R438 PolarHBondContact O-N 3.35Å; H434-R438 VanDerWaalsContact O-N 3.13Å; H434-H465 HydrophobicContact CB-CB 4.37Å; H434-H465 AromaticContact CD2-CD2 3.58Å; H434-H465 AromaticContact CD2-CE1 3.42Å; H434-H465 PolarHBondContact CD2-CE1 3.29Å; H434-H465 VanDerWaalsContact CD2-CE1 3.42Å; H434-H465 AromaticContact CD2-ND1 3.95Å; H434-H465 AromaticContact CD2-NE2 3.17Å; H434-H465 PolarHBondContact CD2-NE2 2.67Å; H434-H465 AromaticContact CE1-CD2 3.51Å; H434-H465 AromaticContact CE1-NE2 3.72Å; H434-H465 AromaticContact CG-CD2 3.52Å; H434-H465 AromaticContact CG-CE1 3.76Å; H434-H465 AromaticContact CG-CG 3.68Å; H434-H465 AromaticContact CG-ND1 3.82Å; H434-H465 AromaticContact CG-NE2 3.6Å; H434-H465 AromaticContact ND1-CD2 3.51Å; H434-H465 AromaticContact ND1-CG 3.91Å; H434-H465 AromaticContact ND1-NE2 3.95Å; H434-H465 AromaticContact NE2-CD2 3.55Å; H434-H465 AromaticContact NE2-CE1 3.97Å; H434-H465 AromaticContact NE2-NE2 3.24Å; H434-H465 PolarHBondContact NE2-NE2 2.8Å
435	K	96.8	Very high	97	Very high	107 Å²	107	58.9 Å²	58.9	47%	0.465	29%	0.289	S	S	.	.	H	α-helix	trans	-63.3	-44.3	173.7	-67.3	173.3	-174.1	174.7	0	111.1	K431 Q432 H433 R438 C439	K431-K435 PolarHBondContact O-N 3.43Å; Q432-K435 WeakPolarHBondContact O-CB 3.33Å; Q432-K435 PolarHBondContact O-N 3.13Å; H433-K435 VanDerWaalsContact C-N 3.32Å; H433-K435 PolarHBondContact O-N 3.06Å; K435-R438 VanDerWaalsContact CG-NH2 3.33Å; K435-R438 PolarHBondContact O-N 2.81Å; K435-C439 PolarHBondContact O-N 3.42Å; K435-C439 PolarHBondContact O-SG 2.95Å
436	L	97.9	Very high	96.9	Very high	30 Å²	30	62.7 Å²	62.7	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-49.8	175.5	174.1	62.5	0	0	0	111.2	V394 H398 Q432 H433 R438 C439 L440	V394-L436 HydrophobicContact CG1-CD2 3.81Å; H398-L436 HydrophobicContact CB-CD2 4.29Å; Q432-L436 PolarHBondContact O-N 3.36Å; H433-L436 CarbonylContact O-C 3.38Å; H433-L436 WeakPolarHBondContact O-CB 3.31Å; H433-L436 PolarHBondContact O-N 3.33Å; H433-L436 VanDerWaalsContact O-N 3.14Å; L436-R438 VanDerWaalsContact C-N 3.29Å; L436-R438 PolarHBondContact O-N 3.47Å; L436-C439 WeakPolarHBondContact O-CA 3.39Å; L436-C439 WeakPolarHBondContact O-CB 3.49Å; L436-C439 PolarHBondContact O-N 3.11Å; L436-L440 HydrophobicContact CD1-CD1 4.11Å; L436-L440 HydrophobicContact CD1-CD2 4.35Å; L436-L440 HydrophobicContact CD1-CG 3.97Å; L436-L440 HydrophobicContact CG-CD1 3.92Å; L436-L440 HydrophobicContact CG-CG 4.25Å; L436-L440 WeakPolarHBondContact O-CG 3.4Å; L436-L440 PolarHBondContact O-N 3.44Å
437	G	98.1	Very high	96.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-55.8	-42.3	178.3	0	0	0	0	0	112.6	H433 H434 L440 L441	H433-G437 PolarHBondContact O-N 3.2Å; H434-G437 PolarHBondContact O-N 3.35Å; G437-L440 PolarHBondContact O-N 3.25Å; G437-L441 WeakPolarHBondContact O-CG 3.44Å; G437-L441 PolarHBondContact O-N 3.28Å
438	R	97.2	Very high	96.4	Very high	95 Å²	95	62 Å²	62	36%	0.358	32%	0.324	S	S	.	.	H	α-helix	trans	-63.3	-41.5	173.1	-69.9	-175.9	-65.2	-137.5	-1.8	112.8	H434 K435 L436 L441 V442	H434-R438 WeakPolarHBondContact O-CG 3.43Å; H434-R438 PolarHBondContact O-N 3.35Å; H434-R438 VanDerWaalsContact O-N 3.13Å; K435-R438 VanDerWaalsContact CG-NH2 3.33Å; K435-R438 PolarHBondContact O-N 2.81Å; L436-R438 VanDerWaalsContact C-N 3.29Å; L436-R438 PolarHBondContact O-N 3.47Å; R438-L441 PolarHBondContact O-N 3.45Å; R438-V442 WeakPolarHBondContact O-CG2 3.48Å; R438-V442 PolarHBondContact O-N 2.63Å; R438-V442 VanDerWaalsContact O-N 3.09Å
439	C	97.4	Very high	95.9	Very high	68 Å²	68	64.9 Å²	64.9	46%	0.459	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-44.3	177	-61.9	0	0	0	0	111.2	K435 L436 L441 V442 E443	K435-C439 PolarHBondContact O-N 3.42Å; K435-C439 PolarHBondContact O-SG 2.95Å; L436-C439 WeakPolarHBondContact O-CA 3.39Å; L436-C439 WeakPolarHBondContact O-CB 3.49Å; L436-C439 PolarHBondContact O-N 3.11Å; C439-L441 VanDerWaalsContact C-N 3.28Å; C439-L441 PolarHBondContact O-N 3.34Å; C439-V442 PolarHBondContact O-N 2.93Å; C439-V442 VanDerWaalsContact O-N 3.16Å; C439-E443 WeakPolarHBondContact O-CG 3.29Å; C439-E443 PolarHBondContact O-N 2.99Å
440	L	98.1	Very high	95.8	Very high	13 Å²	13	64.2 Å²	64.2	7%	0.068	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-37.1	177.2	-67.4	172.6	0	0	0	112.1	L421 I422 L436 G437 E443 R444	L421-L440 HydrophobicContact CD2-CD1 3.88Å; L421-L440 HydrophobicContact CG-CD1 3.79Å; I422-L440 HydrophobicContact CD1-CB 4.39Å; I422-L440 HydrophobicContact CG1-CB 3.82Å; I422-L440 HydrophobicContact CG1-CD1 4.22Å; L436-L440 HydrophobicContact CD1-CD1 4.11Å; L436-L440 HydrophobicContact CD1-CD2 4.35Å; L436-L440 HydrophobicContact CD1-CG 3.97Å; L436-L440 HydrophobicContact CG-CD1 3.92Å; L436-L440 HydrophobicContact CG-CG 4.25Å; L436-L440 WeakPolarHBondContact O-CG 3.4Å; L436-L440 PolarHBondContact O-N 3.44Å; G437-L440 PolarHBondContact O-N 3.25Å; L440-E443 PolarHBondContact O-N 3.35Å; L440-R444 WeakPolarHBondContact O-CB 3.38Å; L440-R444 PolarHBondContact O-N 2.86Å
441	L	98	Very high	95.8	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-39.1	174.9	-74.5	166.2	0	0	0	112.6	I422 M426 G437 R438 C439 R444 D445 T454 L457 V458 A461	I422-L441 HydrophobicContact CD1-CD2 4.26Å; I422-L441 HydrophobicContact CG2-CD1 4.4Å; I422-L441 HydrophobicContact CG2-CD2 3.89Å; I422-L441 HydrophobicContact CG2-CG 4.02Å; M426-L441 HydrophobicContact SD-CD1 4.25Å; G437-L441 WeakPolarHBondContact O-CG 3.44Å; G437-L441 PolarHBondContact O-N 3.28Å; R438-L441 PolarHBondContact O-N 3.45Å; C439-L441 VanDerWaalsContact C-N 3.28Å; C439-L441 PolarHBondContact O-N 3.34Å; L441-R444 PolarHBondContact O-N 2.93Å; L441-D445 WeakPolarHBondContact O-CB 3.23Å; L441-D445 PolarHBondContact O-N 3.07Å; L441-T454 HydrophobicContact CD2-CG2 4.43Å; L441-L457 HydrophobicContact CD2-CB 3.54Å; L441-L457 HydrophobicContact CD2-CD1 4.23Å; L441-V458 HydrophobicContact CB-CG2 3.94Å; L441-V458 HydrophobicContact CD1-CG2 4.2Å; L441-V458 HydrophobicContact CD2-CG2 4.33Å; L441-V458 HydrophobicContact CG-CG2 4.39Å; L441-A461 HydrophobicContact CD1-CB 3.85Å
442	V	97.1	Very high	95.9	Very high	103 Å²	103	55.2 Å²	55.2	62%	0.624	30%	0.301	S	S	*	.	H	α-helix	trans	-66.1	-42.8	173.6	172.5	0	0	0	0	111.1	R438 C439 R444 D445 A446	R438-V442 WeakPolarHBondContact O-CG2 3.48Å; R438-V442 PolarHBondContact O-N 2.63Å; R438-V442 VanDerWaalsContact O-N 3.09Å; C439-V442 PolarHBondContact O-N 2.93Å; C439-V442 VanDerWaalsContact O-N 3.16Å; V442-R444 VanDerWaalsContact C-N 3.3Å; V442-R444 PolarHBondContact O-N 2.71Å; V442-D445 PolarHBondContact O-N 3.47Å; V442-A446 PolarHBondContact O-N 2.99Å; V442-A446 VanDerWaalsContact O-N 3.11Å
443	E	96.8	Very high	95.9	Very high	82 Å²	82	50 Å²	50	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-59.6	-42.6	174.1	-71.7	177.2	-166.1	0	0	111.2	R401 C439 L440 A446 V447	R401-E443 IonicContact CZ-OE2 3.94Å; R401-E443 IonicContact NH1-OE1 3.2Å; R401-E443 IonicContact NH1-OE2 2.69Å; R401-E443 PolarHBondContact NH1-OE2 3.46Å; R401-E443 IonicContact NH2-OE1 2.93Å; R401-E443 PolarHBondContact NH2-OE1 2.97Å; R401-E443 IonicContact NH2-OE2 3.64Å; C439-E443 WeakPolarHBondContact O-CG 3.29Å; C439-E443 PolarHBondContact O-N 2.99Å; L440-E443 PolarHBondContact O-N 3.35Å; E443-A446 PolarHBondContact O-N 3.14Å; E443-V447 PolarHBondContact O-N 2.87Å
444	R	95.8	Very high	95.8	Very high	13 Å²	13	48.7 Å²	48.7	5%	0.049	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-47.8	176.8	-177.6	-178.7	-178.4	78.5	1.8	112.1	D415 L440 L441 V442 A446 V447 R448 T454	D415-R444 IonicContact OD1-CZ 2.99Å; D415-R444 IonicContact OD1-NH1 3.31Å; D415-R444 PolarHBondContact OD1-NH1 3.26Å; D415-R444 IonicContact OD1-NH2 2.72Å; D415-R444 IonicContact OD2-CZ 3.24Å; D415-R444 VanDerWaalsContact OD2-CZ 3.28Å; D415-R444 IonicContact OD2-NH1 3.88Å; D415-R444 PolarHBondContact OD2-NH1 2.86Å; D415-R444 IonicContact OD2-NH2 3.9Å; D415-R444 PolarHBondContact OD2-NH2 3.3Å; L440-R444 WeakPolarHBondContact O-CB 3.38Å; L440-R444 PolarHBondContact O-N 2.86Å; L441-R444 PolarHBondContact O-N 2.93Å; V442-R444 VanDerWaalsContact C-N 3.3Å; V442-R444 PolarHBondContact O-N 2.71Å; R444-A446 PolarHBondContact O-N 3.35Å; R444-V447 VanDerWaalsContact O-CG2 3.23Å; R444-V447 WeakPolarHBondContact O-CG2 3.45Å; R444-V447 PolarHBondContact O-N 2.92Å; R444-V447 VanDerWaalsContact O-N 3.11Å; R444-R448 PolarHBondContact O-N 3.39Å; R444-T454 HydrophobicContact CB-CG2 4.36Å; R444-T454 VanDerWaalsContact CD-OG1 3.23Å; R444-T454 WeakPolarHBondContact CD-OG1 3.43Å; R444-T454 HydrophobicContact CG-CG2 4.1Å; R444-T454 PolarHBondContact NE-OG1 3.19Å
445	D	95.4	Very high	95.8	Very high	74 Å²	74	51.9 Å²	51.9	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-59	-36.2	178.7	-171.5	67.1	0	0	0	111.7	L441 V442 V447 R448 P449 T454	L441-D445 WeakPolarHBondContact O-CB 3.23Å; L441-D445 PolarHBondContact O-N 3.07Å; V442-D445 PolarHBondContact O-N 3.47Å; D445-V447 VanDerWaalsContact C-N 3.32Å; D445-V447 PolarHBondContact O-N 3.42Å; D445-R448 CarbonylContact O-C 3.38Å; D445-P449 VanDerWaalsContact O-CA 3.3Å; D445-P449 WeakPolarHBondContact O-CA 3.38Å; D445-P449 VanDerWaalsContact O-N 3.15Å; D445-T454 HydrophobicContact CB-CG2 4.14Å
446	A	94.8	Very high	95.8	Very high	81 Å²	81	49.4 Å²	49.4	67%	0.669	27%	0.273	S	S	*	.	H	α-helix	trans	-66	-29.4	176.8	0	0	0	0	0	114.1	V442 E443 R444	V442-A446 PolarHBondContact O-N 2.99Å; V442-A446 VanDerWaalsContact O-N 3.11Å; E443-A446 PolarHBondContact O-N 3.14Å; R444-A446 PolarHBondContact O-N 3.35Å
447	V	91.8	Very high	95.8	Very high	83 Å²	83	48 Å²	48	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-99.3	-21.4	179.8	-62.7	0	0	0	0	113.4	E443 R444 D445	E443-V447 PolarHBondContact O-N 2.87Å; R444-V447 VanDerWaalsContact O-CG2 3.23Å; R444-V447 WeakPolarHBondContact O-CG2 3.45Å; R444-V447 PolarHBondContact O-N 2.92Å; R444-V447 VanDerWaalsContact O-N 3.11Å; D445-V447 VanDerWaalsContact C-N 3.32Å; D445-V447 PolarHBondContact O-N 3.42Å
448	R	92.4	Very high	95.7	Very high	8 Å²	8	50.4 Å²	50.4	3%	0.03	28%	0.28	C	S	.	.	S	Bend	trans	-130.2	67.1	177.5	-67.9	-179.8	68.6	108.9	-4.6	109.3	E224 M225 A227 E263 R444 D445 S451	E224-R448 PolarHBondContact O-NH1 3Å; E224-R448 PolarHBondContact O-NH2 2.96Å; E224-R448 VanDerWaalsContact O-NH2 3.08Å; E224-R448 IonicContact OE1-NH1 3.35Å; E224-R448 IonicContact OE1-NH2 3.54Å; M225-R448 PolarHBondContact SD-NH1 2.91Å; A227-R448 HydrophobicContact CB-CB 4.49Å; E263-R448 IonicContact OE2-NH2 3.5Å; R444-R448 PolarHBondContact O-N 3.39Å; D445-R448 CarbonylContact O-C 3.38Å; R448-S451 VanDerWaalsContact O-CB 3.25Å; R448-S451 WeakPolarHBondContact O-CB 3.23Å; R448-S451 PolarHBondContact O-N 2.81Å
449	P	88.8	Confident	95.7	Very high	65 Å²	65	51.8 Å²	51.8	42%	0.422	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	148.9	-179	27.2	-35.4	0	0	0	110.3	A227 D445 S451	A227-P449 WeakPolarHBondContact CB-O 3.42Å; D445-P449 VanDerWaalsContact O-CA 3.3Å; D445-P449 WeakPolarHBondContact O-CA 3.38Å; D445-P449 VanDerWaalsContact O-N 3.15Å; P449-S451 PolarHBondContact O-N 2.67Å; P449-S451 VanDerWaalsContact O-N 3.08Å
450	D	91.7	Very high	95.6	Very high	126 Å²	126	52 Å²	52	67%	0.674	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	9.8	178.1	-54.5	-48	0	0	0	115.7	P452	D450-P452 WeakPolarHBondContact O-CD 3.25Å
451	S	96.5	Very high	95.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.282	C	S	.	.			trans	-60.1	111.4	174.6	164	0	0	0	0	111.8	E263 R448 P449 L453 T454 Q455	E263-S451 WeakPolarHBondContact OE1-CA 3.47Å; E263-S451 WeakPolarHBondContact OE1-CB 3.38Å; E263-S451 PolarHBondContact OE1-OG 3.15Å; R448-S451 VanDerWaalsContact O-CB 3.25Å; R448-S451 WeakPolarHBondContact O-CB 3.23Å; R448-S451 PolarHBondContact O-N 2.81Å; P449-S451 PolarHBondContact O-N 2.67Å; P449-S451 VanDerWaalsContact O-N 3.08Å; S451-L453 VanDerWaalsContact C-N 3.28Å; S451-L453 PolarHBondContact O-N 3.1Å; S451-T454 VanDerWaalsContact CB-OG1 3.3Å; S451-T454 WeakPolarHBondContact CB-OG1 3.47Å; S451-T454 WeakPolarHBondContact O-CB 3.26Å; S451-T454 PolarHBondContact O-N 3.32Å; S451-T454 VanDerWaalsContact O-N 3.1Å; S451-T454 WeakPolarHBondContact OG-CB 3.35Å; S451-T454 PolarHBondContact OG-N 2.99Å; S451-T454 VanDerWaalsContact OG-N 3.17Å; S451-T454 PolarHBondContact OG-OG1 2.95Å; S451-Q455 WeakPolarHBondContact O-CG 3.35Å; S451-Q455 PolarHBondContact O-N 3.44Å
452	P	96.8	Very high	95.1	Very high	38 Å²	38	55.7 Å²	55.7	25%	0.247	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-30.7	179.2	-19.4	30.5	0	0	0	113.2	E263 D450 Q455 R456	E263-P452 WeakPolarHBondContact O-CB 3.47Å; E263-P452 VanDerWaalsContact OE1-CD 3.25Å; E263-P452 WeakPolarHBondContact OE1-CD 3.42Å; D450-P452 WeakPolarHBondContact O-CD 3.25Å; P452-Q455 PolarHBondContact O-N 3.02Å; P452-R456 WeakPolarHBondContact O-CG 3.21Å; P452-R456 PolarHBondContact O-N 2.96Å
453	L	97.1	Very high	94.9	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-46.2	172.2	174.9	61.2	0	0	0	111	E263 E304 S451 Q455 R456 L457	E263-L453 VanDerWaalsContact CD-CB 3.48Å; E263-L453 PolarHBondContact O-N 3.12Å; E263-L453 WeakPolarHBondContact OE1-CB 3.36Å; E263-L453 PolarHBondContact OE1-N 3.33Å; E263-L453 WeakPolarHBondContact OE2-CB 3.41Å; E304-L453 HydrophobicContact CG-CD1 4.32Å; S451-L453 VanDerWaalsContact C-N 3.28Å; S451-L453 PolarHBondContact O-N 3.1Å; L453-Q455 VanDerWaalsContact C-N 3.32Å; L453-Q455 PolarHBondContact O-N 3.25Å; L453-R456 PolarHBondContact O-N 3.5Å; L453-L457 HydrophobicContact CD1-CD1 4.24Å; L453-L457 HydrophobicContact CD1-CG 4.22Å; L453-L457 HydrophobicContact CG-CD1 4.15Å; L453-L457 WeakPolarHBondContact O-CG 3.28Å; L453-L457 PolarHBondContact O-N 3.27Å
454	T	97.3	Very high	94.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-44	178.8	-55.7	0	0	0	0	110.7	L441 R444 D445 S451 R456 L457 V458	L441-T454 HydrophobicContact CD2-CG2 4.43Å; R444-T454 HydrophobicContact CB-CG2 4.36Å; R444-T454 VanDerWaalsContact CD-OG1 3.23Å; R444-T454 WeakPolarHBondContact CD-OG1 3.43Å; R444-T454 HydrophobicContact CG-CG2 4.1Å; R444-T454 PolarHBondContact NE-OG1 3.19Å; D445-T454 HydrophobicContact CB-CG2 4.14Å; S451-T454 VanDerWaalsContact CB-OG1 3.3Å; S451-T454 WeakPolarHBondContact CB-OG1 3.47Å; S451-T454 WeakPolarHBondContact O-CB 3.26Å; S451-T454 PolarHBondContact O-N 3.32Å; S451-T454 VanDerWaalsContact O-N 3.1Å; S451-T454 WeakPolarHBondContact OG-CB 3.35Å; S451-T454 PolarHBondContact OG-N 2.99Å; S451-T454 VanDerWaalsContact OG-N 3.17Å; S451-T454 PolarHBondContact OG-OG1 2.95Å; T454-R456 PolarHBondContact O-N 3.32Å; T454-L457 PolarHBondContact O-N 3.38Å; T454-V458 WeakPolarHBondContact O-CG2 3.46Å; T454-V458 PolarHBondContact O-N 2.57Å
455	Q	96.8	Very high	93.9	Very high	97 Å²	97	57.7 Å²	57.7	45%	0.453	33%	0.325	S	S	.	.	H	α-helix	trans	-58.7	-46.9	174.6	-67.9	174.1	4	0	0	111.8	S451 P452 L453 L457 V458 Q459	S451-Q455 WeakPolarHBondContact O-CG 3.35Å; S451-Q455 PolarHBondContact O-N 3.44Å; P452-Q455 PolarHBondContact O-N 3.02Å; L453-Q455 VanDerWaalsContact C-N 3.32Å; L453-Q455 PolarHBondContact O-N 3.25Å; Q455-L457 VanDerWaalsContact C-N 3.33Å; Q455-L457 PolarHBondContact O-N 3.31Å; Q455-V458 PolarHBondContact O-N 3.42Å; Q455-Q459 WeakPolarHBondContact O-CG 3.44Å; Q455-Q459 PolarHBondContact O-N 3.18Å
456	R	96.8	Very high	92.2	Very high	55 Å²	55	59.9 Å²	59.9	21%	0.208	37%	0.365	C	S	.	.	H	α-helix	trans	-59.3	-42.8	175.4	-74.3	-163.1	-53.4	-81.3	3.9	112.1	I262 E263 E304 P452 L453 T454 Q459 K460	I262-R456 PolarHBondContact O-NH2 3.42Å; E263-R456 PolarHBondContact O-NH1 3.38Å; E263-R456 PolarHBondContact O-NH2 3.33Å; E304-R456 IonicContact OE2-CZ 3.38Å; E304-R456 IonicContact OE2-NE 3.97Å; E304-R456 PolarHBondContact OE2-NE 2.87Å; E304-R456 VanDerWaalsContact OE2-NE 3.13Å; E304-R456 IonicContact OE2-NH2 3.13Å; E304-R456 PolarHBondContact OE2-NH2 2.99Å; P452-R456 WeakPolarHBondContact O-CG 3.21Å; P452-R456 PolarHBondContact O-N 2.96Å; L453-R456 PolarHBondContact O-N 3.5Å; T454-R456 PolarHBondContact O-N 3.32Å; R456-Q459 PolarHBondContact O-N 3.3Å; R456-K460 WeakPolarHBondContact O-CG 3.33Å; R456-K460 PolarHBondContact O-N 3.4Å
457	L	97.3	Very high	92.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-66.1	-38.2	178.1	-68.1	173	0	0	0	112.2	I422 L441 L453 T454 Q455 K460 A461	I422-L457 HydrophobicContact CG2-CD1 4.48Å; L441-L457 HydrophobicContact CD2-CB 3.54Å; L441-L457 HydrophobicContact CD2-CD1 4.23Å; L453-L457 HydrophobicContact CD1-CD1 4.24Å; L453-L457 HydrophobicContact CD1-CG 4.22Å; L453-L457 HydrophobicContact CG-CD1 4.15Å; L453-L457 WeakPolarHBondContact O-CG 3.28Å; L453-L457 PolarHBondContact O-N 3.27Å; T454-L457 PolarHBondContact O-N 3.38Å; Q455-L457 VanDerWaalsContact C-N 3.33Å; Q455-L457 PolarHBondContact O-N 3.31Å; L457-K460 HydrophobicContact CD2-CD 4.4Å; L457-K460 PolarHBondContact O-N 3Å; L457-A461 WeakPolarHBondContact O-CB 3.44Å; L457-A461 PolarHBondContact O-N 2.98Å
458	V	96.9	Very high	92.1	Very high	50 Å²	50	57.5 Å²	57.5	30%	0.303	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-47.6	172.2	169.9	0	0	0	0	110.8	L441 T454 Q455 K460 A461 L462	L441-V458 HydrophobicContact CB-CG2 3.94Å; L441-V458 HydrophobicContact CD1-CG2 4.2Å; L441-V458 HydrophobicContact CD2-CG2 4.33Å; L441-V458 HydrophobicContact CG-CG2 4.39Å; T454-V458 WeakPolarHBondContact O-CG2 3.46Å; T454-V458 PolarHBondContact O-N 2.57Å; Q455-V458 PolarHBondContact O-N 3.42Å; V458-K460 PolarHBondContact O-N 3.45Å; V458-A461 PolarHBondContact O-N 3.39Å; V458-L462 HydrophobicContact CG1-CD1 4.15Å; V458-L462 WeakPolarHBondContact O-CG 3.3Å; V458-L462 PolarHBondContact O-N 3.17Å
459	Q	96	Very high	92.1	Very high	125 Å²	125	60.3 Å²	60.3	58%	0.584	36%	0.359	S	S	*	.	H	α-helix	trans	-61.6	-42.9	176.9	-64.4	-54.4	-36.2	0	0	111.9	Q455 R456 A461 L462 A463	Q455-Q459 WeakPolarHBondContact O-CG 3.44Å; Q455-Q459 PolarHBondContact O-N 3.18Å; R456-Q459 PolarHBondContact O-N 3.3Å; Q459-A461 VanDerWaalsContact C-N 3.35Å; Q459-A461 PolarHBondContact O-N 3.22Å; Q459-L462 PolarHBondContact O-N 2.88Å; Q459-A463 PolarHBondContact O-N 2.87Å
460	K	95.3	Very high	92.2	Very high	73 Å²	73	60 Å²	60	32%	0.317	36%	0.355	S	S	.	.	H	α-helix	trans	-59.5	-43.8	173.8	-73.9	174.7	-178.1	179.7	0	111.4	E304 M426 R456 L457 V458 L462 A463 L464	E304-K460 IonicContact OE1-NZ 3.95Å; E304-K460 PolarHBondContact OE1-NZ 2.98Å; M426-K460 HydrophobicContact CE-CB 3.7Å; R456-K460 WeakPolarHBondContact O-CG 3.33Å; R456-K460 PolarHBondContact O-N 3.4Å; L457-K460 HydrophobicContact CD2-CD 4.4Å; L457-K460 PolarHBondContact O-N 3Å; V458-K460 PolarHBondContact O-N 3.45Å; K460-L462 PolarHBondContact O-N 3.13Å; K460-A463 PolarHBondContact O-N 2.89Å; K460-L464 VanDerWaalsContact O-CG 3.3Å; K460-L464 WeakPolarHBondContact O-CG 3.5Å; K460-L464 PolarHBondContact O-N 3.01Å
461	A	94.3	Very high	92.3	Very high	3 Å²	3	55.9 Å²	55.9	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-66.2	-35.8	179.4	0	0	0	0	0	112.8	M426 L441 L457 V458 Q459 H465	M426-A461 HydrophobicContact CE-CB 3.87Å; M426-A461 HydrophobicContact CG-CB 4.25Å; M426-A461 HydrophobicContact SD-CB 4.06Å; L441-A461 HydrophobicContact CD1-CB 3.85Å; L457-A461 WeakPolarHBondContact O-CB 3.44Å; L457-A461 PolarHBondContact O-N 2.98Å; V458-A461 PolarHBondContact O-N 3.39Å; Q459-A461 VanDerWaalsContact C-N 3.35Å; Q459-A461 PolarHBondContact O-N 3.22Å; A461-H465 PolarHBondContact O-N 3.26Å; A461-H465 VanDerWaalsContact O-N 3.12Å; A461-H465 PolarHBondContact O-ND1 3.13Å
462	L	92.6	Very high	92	Very high	90 Å²	90	59.6 Å²	59.6	47%	0.471	36%	0.358	S	S	.	.	H	α-helix	trans	-68.9	-40.9	173.1	-70	171.9	0	0	0	111.7	V458 Q459 K460 L464 G466	V458-L462 HydrophobicContact CG1-CD1 4.15Å; V458-L462 WeakPolarHBondContact O-CG 3.3Å; V458-L462 PolarHBondContact O-N 3.17Å; Q459-L462 PolarHBondContact O-N 2.88Å; K460-L462 PolarHBondContact O-N 3.13Å; L462-L464 VanDerWaalsContact C-N 3.31Å; L462-L464 PolarHBondContact O-N 3.08Å; L462-G466 WeakPolarHBondContact O-CA 3.29Å; L462-G466 PolarHBondContact O-N 2.82Å
463	A	91.5	Very high	91.7	Very high	91 Å²	91	61.1 Å²	61.1	75%	0.752	37%	0.366	S	S	*	.	H	α-helix	trans	-66.1	-33.5	177.5	0	0	0	0	0	113	Q459 K460	Q459-A463 PolarHBondContact O-N 2.87Å; K460-A463 PolarHBondContact O-N 2.89Å
464	L	86.9	Confident	91.2	Very high	110 Å²	110	65.5 Å²	65.5	58%	0.576	39%	0.392	S	S	*	.	H	α-helix	trans	-81.5	-32.7	-179	-69.8	170.1	0	0	0	113.7	M426 K460 L462	M426-L464 HydrophobicContact CE-CD1 4.13Å; K460-L464 VanDerWaalsContact O-CG 3.3Å; K460-L464 WeakPolarHBondContact O-CG 3.5Å; K460-L464 PolarHBondContact O-N 3.01Å; L462-L464 VanDerWaalsContact C-N 3.31Å; L462-L464 PolarHBondContact O-N 3.08Å
465	H	84.4	Confident	90.7	Very high	39 Å²	39	71 Å²	71	18%	0.181	43%	0.425	C	S	.	.	H	α-helix	trans	-132.3	4.1	-169.4	-43.8	127.7	0	0	0	115.1	M426 H434 A461	M426-H465 PolarHBondContact O-CE1 3.32Å; M426-H465 PolarHBondContact O-NE2 3.13Å; H434-H465 HydrophobicContact CB-CB 4.37Å; H434-H465 AromaticContact CD2-CD2 3.58Å; H434-H465 AromaticContact CD2-CE1 3.42Å; H434-H465 PolarHBondContact CD2-CE1 3.29Å; H434-H465 VanDerWaalsContact CD2-CE1 3.42Å; H434-H465 AromaticContact CD2-ND1 3.95Å; H434-H465 AromaticContact CD2-NE2 3.17Å; H434-H465 PolarHBondContact CD2-NE2 2.67Å; H434-H465 AromaticContact CE1-CD2 3.51Å; H434-H465 AromaticContact CE1-NE2 3.72Å; H434-H465 AromaticContact CG-CD2 3.52Å; H434-H465 AromaticContact CG-CE1 3.76Å; H434-H465 AromaticContact CG-CG 3.68Å; H434-H465 AromaticContact CG-ND1 3.82Å; H434-H465 AromaticContact CG-NE2 3.6Å; H434-H465 AromaticContact ND1-CD2 3.51Å; H434-H465 AromaticContact ND1-CG 3.91Å; H434-H465 AromaticContact ND1-NE2 3.95Å; H434-H465 AromaticContact NE2-CD2 3.55Å; H434-H465 AromaticContact NE2-CE1 3.97Å; H434-H465 AromaticContact NE2-NE2 3.24Å; H434-H465 PolarHBondContact NE2-NE2 2.8Å; A461-H465 PolarHBondContact O-N 3.26Å; A461-H465 VanDerWaalsContact O-N 3.12Å; A461-H465 PolarHBondContact O-ND1 3.13Å
466	G	60	Low	90.2	Very high	119 Å²	119	68.6 Å²	68.6	100%	1.227	42%	0.422	S	S	*	.			trans	-80.5	0	-177.5	0	0	0	0	0	114.5	L462	L462-G466 WeakPolarHBondContact O-CA 3.29Å; L462-G466 PolarHBondContact O-N 2.82Å

Retrieved 466 of 466 residues in 486.7 ms (Link to these results)

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