A0AA82MZG1_SCHMA Loading...

Solanesyl diphosphate synthase 3, chloroplastic/mitochondrial AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MZG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	93.2	Very high	94.1	Very high	101 Å²	101	39.2 Å²	39.2	50%	0.498	20%	0.204	S	C	.	.				0	-50.2	0	-67.6	179.6	65.7	0	0	111.6	H3 T4 A5 I41 H44 S45 L48	M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.45Å; M1-T4 WeakPolarHBondContact O-CA 3.07Å; M1-T4 WeakPolarHBondContact O-CB 3.4Å; M1-T4 PolarHBondContact O-N 2.82Å; M1-A5 PolarHBondContact O-N 3.36Å; M1-I41 HydrophobicContact CB-CG2 4.14Å; M1-I41 HydrophobicContact CE-CG2 4.31Å; M1-I41 WeakPolarHBondContact O-CG2 3.04Å; M1-H44 HydrophobicContact CE-CB 3.78Å; M1-H44 WeakPolarHBondContact CE-CD2 3.46Å; M1-S45 WeakPolarHBondContact CB-OG 3.2Å; M1-L48 HydrophobicContact CE-CD1 4.36Å; M1-L48 HydrophobicContact SD-CD1 3.52Å; M1-L48 VanDerWaalsContact SD-CD1 3.52Å
2	I	95	Very high	94	Very high	18 Å²	18	38.4 Å²	38.4	9%	0.092	20%	0.2	C	C	.	.	H	α-helix	trans	-48.1	-54	172.4	-63	173.3	0	0	0	111.8	T4 A5 S6 L42 S45 L49 V64 I65 L68	I2-T4 VanDerWaalsContact C-N 3.25Å; I2-T4 PolarHBondContact O-N 3.33Å; I2-A5 WeakPolarHBondContact O-CB 3.31Å; I2-A5 PolarHBondContact O-N 2.67Å; I2-A5 VanDerWaalsContact O-N 3.12Å; I2-S6 PolarHBondContact O-N 2.78Å; I2-L42 HydrophobicContact CG1-CD1 4.34Å; I2-L42 HydrophobicContact CG2-CD1 4.46Å; I2-S45 PolarHBondContact N-OG 2.85Å; I2-L49 HydrophobicContact CD1-CD1 4.16Å; I2-V64 HydrophobicContact CG2-CG1 4.44Å; I2-I65 HydrophobicContact CD1-CD1 4.42Å; I2-I65 HydrophobicContact CD1-CG1 4.27Å; I2-I65 HydrophobicContact CG2-CG1 4.05Å; I2-L68 HydrophobicContact CG2-CD1 3.83Å
3	H	94.3	Very high	93.7	Very high	75 Å²	75	42.2 Å²	42.2	35%	0.347	22%	0.219	S	C	.	.	H	α-helix	trans	-58.7	-33.9	175.8	-177.2	47.5	0	0	0	114.1	M1 S6 L7 L101	M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.45Å; H3-S6 PolarHBondContact O-N 3.13Å; H3-S6 PolarHBondContact O-OG 3.28Å; H3-L7 VanDerWaalsContact O-CG 3.3Å; H3-L7 WeakPolarHBondContact O-CG 3.37Å; H3-L7 PolarHBondContact O-N 3.09Å; H3-L101 HydrophobicContact CB-CD2 3.63Å
4	T	94.3	Very high	93.2	Very high	70 Å²	70	43.5 Å²	43.5	43%	0.429	23%	0.227	S	C	.	.	H	α-helix	trans	-70.4	-39	177.9	-52.2	0	0	0	0	111.1	M1 I2 I8 I41	M1-T4 WeakPolarHBondContact O-CA 3.07Å; M1-T4 WeakPolarHBondContact O-CB 3.4Å; M1-T4 PolarHBondContact O-N 2.82Å; I2-T4 VanDerWaalsContact C-N 3.25Å; I2-T4 PolarHBondContact O-N 3.33Å; T4-I8 WeakPolarHBondContact O-CG1 3.35Å; T4-I8 PolarHBondContact O-N 3.47Å; T4-I41 HydrophobicContact CG2-CD1 4.36Å
5	A	95.8	Very high	92.8	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-46.5	172.7	0	0	0	0	0	110.7	M1 I2 L7 I8 H9 G38 I41 L42	M1-A5 PolarHBondContact O-N 3.36Å; I2-A5 WeakPolarHBondContact O-CB 3.31Å; I2-A5 PolarHBondContact O-N 2.67Å; I2-A5 VanDerWaalsContact O-N 3.12Å; A5-L7 VanDerWaalsContact C-N 3.35Å; A5-L7 PolarHBondContact O-N 3.05Å; A5-I8 PolarHBondContact O-N 2.95Å; A5-I8 VanDerWaalsContact O-N 3.12Å; A5-H9 PolarHBondContact O-N 2.86Å; A5-H9 VanDerWaalsContact O-N 3.13Å; A5-G38 WeakPolarHBondContact CB-O 3.45Å; A5-I41 HydrophobicContact CB-CB 4.05Å; A5-I41 HydrophobicContact CB-CG2 3.9Å; A5-L42 HydrophobicContact CB-CB 4.1Å
6	S	94.4	Very high	92.4	Very high	13 Å²	13	44 Å²	44	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-45.7	178.6	80.1	0	0	0	0	111.4	I2 H3 I8 H9 D10	I2-S6 PolarHBondContact O-N 2.78Å; H3-S6 PolarHBondContact O-N 3.13Å; H3-S6 PolarHBondContact O-OG 3.28Å; S6-I8 VanDerWaalsContact C-N 3.28Å; S6-I8 PolarHBondContact O-N 3.48Å; S6-H9 CarbonylContact O-C 3.56Å; S6-H9 PolarHBondContact O-N 2.9Å; S6-H9 VanDerWaalsContact O-N 3.09Å; S6-D10 WeakPolarHBondContact O-CB 3.4Å; S6-D10 PolarHBondContact O-N 3.42Å
7	L	93.3	Very high	92.2	Very high	31 Å²	31	44.4 Å²	44.4	16%	0.162	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-34.3	177.6	-71.1	177.2	0	0	0	113.9	H3 A5 D11	H3-L7 VanDerWaalsContact O-CG 3.3Å; H3-L7 WeakPolarHBondContact O-CG 3.37Å; H3-L7 PolarHBondContact O-N 3.09Å; A5-L7 VanDerWaalsContact C-N 3.35Å; A5-L7 PolarHBondContact O-N 3.05Å; L7-D11 WeakPolarHBondContact O-CB 3.05Å; L7-D11 VanDerWaalsContact O-CG 3.25Å; L7-D11 PolarHBondContact O-N 3.33Å
8	I	95.3	Very high	92	Very high	31 Å²	31	46.3 Å²	46.3	16%	0.159	26%	0.264	C	S	.	.	H	α-helix	trans	-68.5	-42.3	176.4	-70.2	172.3	0	0	0	110.6	T4 A5 S6 L12 A25 A34 I41	T4-I8 WeakPolarHBondContact O-CG1 3.35Å; T4-I8 PolarHBondContact O-N 3.47Å; A5-I8 PolarHBondContact O-N 2.95Å; A5-I8 VanDerWaalsContact O-N 3.12Å; S6-I8 VanDerWaalsContact C-N 3.28Å; S6-I8 PolarHBondContact O-N 3.48Å; I8-L12 PolarHBondContact O-N 3.1Å; I8-A25 HydrophobicContact CG1-CB 4.45Å; I8-A25 HydrophobicContact CG2-CB 4.03Å; I8-A34 HydrophobicContact CG2-CB 4.32Å; I8-A34 VanDerWaalsContact CG2-O 3.26Å; I8-A34 WeakPolarHBondContact CG2-O 3.42Å; I8-I41 HydrophobicContact CD1-CD1 3.6Å
9	H	94.8	Very high	91.6	Very high	43 Å²	43	49.4 Å²	49.4	20%	0.199	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-45.1	176.7	-65.6	153.3	0	0	0	111.3	A5 S6 D11 L12 I13 V35 G38 D39	A5-H9 PolarHBondContact O-N 2.86Å; A5-H9 VanDerWaalsContact O-N 3.13Å; S6-H9 CarbonylContact O-C 3.56Å; S6-H9 PolarHBondContact O-N 2.9Å; S6-H9 VanDerWaalsContact O-N 3.09Å; H9-D11 PolarHBondContact O-N 3.29Å; H9-L12 WeakPolarHBondContact O-CB 3.32Å; H9-L12 PolarHBondContact O-N 3.21Å; H9-L12 VanDerWaalsContact O-N 3.12Å; H9-I13 WeakPolarHBondContact O-CG1 3.49Å; H9-I13 PolarHBondContact O-N 3.28Å; H9-V35 PolarHBondContact NE2-O 3.06Å; H9-G38 WeakPolarHBondContact NE2-CA 3.4Å; H9-D39 IonicContact CE1-OD1 2.84Å; H9-D39 PolarHBondContact CE1-OD1 2.99Å; H9-D39 VanDerWaalsContact CE1-OD1 3.26Å; H9-D39 IonicContact NE2-OD1 2.88Å; H9-D39 PolarHBondContact NE2-OD1 2.96Å
10	D	92.2	Very high	91.2	Very high	38 Å²	38	57.1 Å²	57.1	20%	0.203	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-47.5	177.7	-65.5	-7.9	0	0	0	111	S6 L12 I13 D14	S6-D10 WeakPolarHBondContact O-CB 3.4Å; S6-D10 PolarHBondContact O-N 3.42Å; D10-L12 PolarHBondContact O-N 3.42Å; D10-L12 VanDerWaalsContact O-N 3.14Å; D10-I13 PolarHBondContact O-N 2.93Å; D10-D14 WeakPolarHBondContact O-CB 3.23Å; D10-D14 PolarHBondContact O-N 3.23Å
11	D	92.3	Very high	90.8	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.048	32%	0.319	C	S	.	.	H	α-helix	trans	-57.3	-33.6	178	-79.1	-26.6	0	0	0	112.1	L7 H9 S15 A16 R19 Y26	L7-D11 WeakPolarHBondContact O-CB 3.05Å; L7-D11 VanDerWaalsContact O-CG 3.25Å; L7-D11 PolarHBondContact O-N 3.33Å; H9-D11 PolarHBondContact O-N 3.29Å; D11-S15 CarbonylContact O-C 3.56Å; D11-S15 WeakPolarHBondContact O-CA 3.43Å; D11-S15 PolarHBondContact O-N 3.38Å; D11-A16 HydrophobicContact CB-CB 4.38Å; D11-A16 PolarHBondContact O-N 3Å; D11-R19 WeakPolarHBondContact OD1-CD 3.5Å; D11-R19 IonicContact OD1-CZ 3.64Å; D11-R19 IonicContact OD1-NE 3.49Å; D11-R19 PolarHBondContact OD1-NE 3.23Å; D11-R19 IonicContact OD1-NH2 3.47Å; D11-R19 PolarHBondContact OD1-NH2 2.91Å; D11-R19 VanDerWaalsContact OD2-CB 3.32Å; D11-R19 WeakPolarHBondContact OD2-CB 3.29Å; D11-R19 WeakPolarHBondContact OD2-CD 3.38Å; D11-R19 IonicContact OD2-NE 2.73Å; D11-Y26 WeakPolarHBondContact O-CD1 3.32Å; D11-Y26 WeakPolarHBondContact O-CE1 3.36Å
12	L	93.3	Very high	90.5	Very high	30 Å²	30	60.7 Å²	60.7	16%	0.157	33%	0.328	C	S	.	.	H	α-helix	trans	-73.6	-44.7	175.2	173.8	65.5	0	0	0	111.7	I8 H9 D10 S15 Y26 H31 A34 V35	I8-L12 PolarHBondContact O-N 3.1Å; H9-L12 WeakPolarHBondContact O-CB 3.32Å; H9-L12 PolarHBondContact O-N 3.21Å; H9-L12 VanDerWaalsContact O-N 3.12Å; D10-L12 PolarHBondContact O-N 3.42Å; D10-L12 VanDerWaalsContact O-N 3.14Å; L12-S15 PolarHBondContact O-N 3.36Å; L12-Y26 HydrophobicContact CB-CD1 4.43Å; L12-Y26 HydrophobicContact CD1-CD1 4.47Å; L12-Y26 HydrophobicContact CD1-CD2 4.18Å; L12-Y26 HydrophobicContact CD1-CG 3.89Å; L12-H31 HydrophobicContact CD1-CB 4.04Å; L12-A34 HydrophobicContact CD2-CB 4.4Å; L12-V35 HydrophobicContact CD2-CG2 3.39Å
13	I	89.7	Confident	90.4	Very high	87 Å²	87	64.4 Å²	64.4	45%	0.446	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-49.1	-180	-67.3	166.8	0	0	0	110.2	H9 D10 S15 E72	H9-I13 WeakPolarHBondContact O-CG1 3.49Å; H9-I13 PolarHBondContact O-N 3.28Å; D10-I13 PolarHBondContact O-N 2.93Å; I13-S15 PolarHBondContact O-N 3.42Å; I13-E72 HydrophobicContact CD1-CG 3.88Å; I13-E72 WeakPolarHBondContact CG2-OE1 3.43Å
14	D	87.1	Confident	90.3	Very high	61 Å²	61	60.9 Å²	60.9	33%	0.326	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	0.1	-179.5	-66.5	-32	0	0	0	112.9	D10 A16 Q75	D10-D14 WeakPolarHBondContact O-CB 3.23Å; D10-D14 PolarHBondContact O-N 3.23Å; D14-A16 PolarHBondContact O-N 3.08Å; D14-A16 VanDerWaalsContact O-N 3.09Å; D14-Q75 PolarHBondContact OD1-NE2 3.46Å
15	S	87.9	Confident	90.2	Very high	77 Å²	77	58.7 Å²	58.7	54%	0.538	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	30.2	-174.5	-62.1	0	0	0	0	113.7	D11 L12 I13 A17 Y26	D11-S15 CarbonylContact O-C 3.56Å; D11-S15 WeakPolarHBondContact O-CA 3.43Å; D11-S15 PolarHBondContact O-N 3.38Å; L12-S15 PolarHBondContact O-N 3.36Å; I13-S15 PolarHBondContact O-N 3.42Å; S15-A17 PolarHBondContact O-N 2.92Å; S15-Y26 PolarHBondContact O-OH 3.27Å
16	A	86.5	Confident	90.1	Very high	18 Å²	18	59.1 Å²	59.1	15%	0.149	33%	0.326	C	S	.	.			trans	-69.2	115.5	-178.3	0	0	0	0	0	111.7	D11 D14 V18 S24 Y26	D11-A16 HydrophobicContact CB-CB 4.38Å; D11-A16 PolarHBondContact O-N 3Å; D14-A16 PolarHBondContact O-N 3.08Å; D14-A16 VanDerWaalsContact O-N 3.09Å; A16-V18 VanDerWaalsContact C-N 3.29Å; A16-V18 PolarHBondContact O-N 3.26Å; A16-S24 WeakPolarHBondContact O-CB 3.17Å; A16-S24 PolarHBondContact O-OG 3.47Å; A16-Y26 WeakPolarHBondContact O-CE1 3.39Å
17	A	88.8	Confident	90.1	Very high	50 Å²	50	64.3 Å²	64.3	41%	0.413	35%	0.346	S	S	.	.	S	Bend	trans	-71.1	-22.4	-177.1	0	0	0	0	0	114.1	S15 S24 K27	S15-A17 PolarHBondContact O-N 2.92Å; A17-S24 PolarHBondContact O-N 3.46Å; A17-S24 PolarHBondContact O-OG 3.05Å; A17-K27 HydrophobicContact CB-CG 4.23Å
18	V	87.4	Confident	90.2	Very high	80 Å²	80	65.4 Å²	65.4	49%	0.485	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139	-172.4	178.4	0	0	0	0	110.3	A16 K22	A16-V18 VanDerWaalsContact C-N 3.29Å; A16-V18 PolarHBondContact O-N 3.26Å; V18-K22 CarbonylContact C-O 3.46Å; V18-K22 VanDerWaalsContact CA-O 3.27Å; V18-K22 WeakPolarHBondContact CA-O 3.33Å; V18-K22 WeakPolarHBondContact CG1-O 3.37Å
19	R	85	Confident	90.2	Very high	105 Å²	105	71.1 Å²	71.1	40%	0.396	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.8	170.6	-174.1	95	-32.6	-118.9	2	109.5	D11 G21 K22	D11-R19 WeakPolarHBondContact OD1-CD 3.5Å; D11-R19 IonicContact OD1-CZ 3.64Å; D11-R19 IonicContact OD1-NE 3.49Å; D11-R19 PolarHBondContact OD1-NE 3.23Å; D11-R19 IonicContact OD1-NH2 3.47Å; D11-R19 PolarHBondContact OD1-NH2 2.91Å; D11-R19 VanDerWaalsContact OD2-CB 3.32Å; D11-R19 WeakPolarHBondContact OD2-CB 3.29Å; D11-R19 WeakPolarHBondContact OD2-CD 3.38Å; D11-R19 IonicContact OD2-NE 2.73Å; R19-G21 VanDerWaalsContact C-N 3.27Å; R19-G21 PolarHBondContact O-N 2.97Å; R19-K22 PolarHBondContact N-O 3.43Å; R19-K22 PolarHBondContact O-N 3.43Å
20	R	82.7	Confident	90.3	Very high	202 Å²	202	70.1 Å²	70.1	76%	0.762	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.3	179.4	-61.4	174.5	-180	172.5	1.9	112.8	K22	R20-K22 PolarHBondContact O-N 3.1Å
21	G	82.8	Confident	90.5	Very high	75 Å²	75	74 Å²	74	77%	0.773	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	8.7	-179.8	0	0	0	0	0	115.4	R19	R19-G21 VanDerWaalsContact C-N 3.27Å; R19-G21 PolarHBondContact O-N 2.97Å
22	K	87.7	Confident	90.7	Very high	160 Å²	160	83.2 Å²	83.2	70%	0.696	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.4	177.2	-62.2	-176.3	179.3	-176.6	0	110.6	V18 R19 R20 S24	V18-K22 CarbonylContact C-O 3.46Å; V18-K22 VanDerWaalsContact CA-O 3.27Å; V18-K22 WeakPolarHBondContact CA-O 3.33Å; V18-K22 WeakPolarHBondContact CG1-O 3.37Å; R19-K22 PolarHBondContact N-O 3.43Å; R19-K22 PolarHBondContact O-N 3.43Å; R20-K22 PolarHBondContact O-N 3.1Å; K22-S24 PolarHBondContact O-N 3.12Å
23	T	92.1	Very high	90.9	Very high	95 Å²	95	86.6 Å²	86.6	58%	0.583	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.7	131.6	173.5	-50.9	0	0	0	0	110.5	K27 A28	T23-K27 HydrophobicContact CG2-CB 3.56Å; T23-A28 HydrophobicContact CG2-CB 4.16Å
24	S	92	Very high	91.2	Very high	1 Å²	1	82.6 Å²	82.6	1%	0.007	43%	0.431	C	S	.	.			trans	-65.1	156	176.7	64.4	0	0	0	0	111.5	A16 A17 K22 Y26 K27 A28	A16-S24 WeakPolarHBondContact O-CB 3.17Å; A16-S24 PolarHBondContact O-OG 3.47Å; A17-S24 PolarHBondContact O-N 3.46Å; A17-S24 PolarHBondContact O-OG 3.05Å; K22-S24 PolarHBondContact O-N 3.12Å; S24-Y26 VanDerWaalsContact C-N 3.3Å; S24-Y26 PolarHBondContact O-N 3.39Å; S24-Y26 WeakPolarHBondContact OG-CD1 3.43Å; S24-Y26 WeakPolarHBondContact OG-CE1 3.38Å; S24-K27 PolarHBondContact O-N 3.29Å; S24-A28 PolarHBondContact O-N 2.66Å
25	A	92.6	Very high	91.8	Very high	24 Å²	24	82.5 Å²	82.5	20%	0.198	43%	0.432	C	S	.	.	H	α-helix	trans	-58.8	-41.1	-175.6	0	0	0	0	0	112.2	I8 K27 A28 F29 A34	I8-A25 HydrophobicContact CG1-CB 4.45Å; I8-A25 HydrophobicContact CG2-CB 4.03Å; A25-K27 VanDerWaalsContact C-N 3.35Å; A25-K27 PolarHBondContact O-N 3.09Å; A25-A28 PolarHBondContact O-N 3.34Å; A25-F29 WeakPolarHBondContact O-CD2 3.45Å; A25-F29 PolarHBondContact O-N 3.4Å; A25-A34 HydrophobicContact CB-CB 4.43Å
26	Y	94.1	Very high	92.2	Very high	12 Å²	12	84.5 Å²	84.5	5%	0.047	44%	0.436	C	S	.	.	H	α-helix	trans	-70.2	-31.7	-178.7	89.8	-95.1	0	0	0	112.9	D11 L12 S15 A16 S24 G30 H31	D11-Y26 WeakPolarHBondContact O-CD1 3.32Å; D11-Y26 WeakPolarHBondContact O-CE1 3.36Å; L12-Y26 HydrophobicContact CB-CD1 4.43Å; L12-Y26 HydrophobicContact CD1-CD1 4.47Å; L12-Y26 HydrophobicContact CD1-CD2 4.18Å; L12-Y26 HydrophobicContact CD1-CG 3.89Å; S15-Y26 PolarHBondContact O-OH 3.27Å; A16-Y26 WeakPolarHBondContact O-CE1 3.39Å; S24-Y26 VanDerWaalsContact C-N 3.3Å; S24-Y26 PolarHBondContact O-N 3.39Å; S24-Y26 WeakPolarHBondContact OG-CD1 3.43Å; S24-Y26 WeakPolarHBondContact OG-CE1 3.38Å; Y26-G30 WeakPolarHBondContact CA-O 3.37Å; Y26-G30 CarbonylContact O-C 3.6Å; Y26-G30 WeakPolarHBondContact O-CA 3.49Å; Y26-G30 PolarHBondContact O-N 3.49Å; Y26-H31 AromaticContact CD2-CD2 3.86Å; Y26-H31 AromaticContact CD2-NE2 3.78Å
27	K	94.4	Very high	92.8	Very high	121 Å²	121	84.9 Å²	84.9	53%	0.526	44%	0.442	S	S	.	.	H	α-helix	trans	-70.5	-36.2	172.7	-78.9	-56.8	-167.1	-164.9	0	112.2	A17 T23 S24 A25	A17-K27 HydrophobicContact CB-CG 4.23Å; T23-K27 HydrophobicContact CG2-CB 3.56Å; S24-K27 PolarHBondContact O-N 3.29Å; A25-K27 VanDerWaalsContact C-N 3.35Å; A25-K27 PolarHBondContact O-N 3.09Å
28	A	95.5	Very high	93.1	Very high	55 Å²	55	82.5 Å²	82.5	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-77.3	-38.6	-178.7	0	0	0	0	0	113.1	T23 S24 A25	T23-A28 HydrophobicContact CG2-CB 4.16Å; S24-A28 PolarHBondContact O-N 2.66Å; A25-A28 PolarHBondContact O-N 3.34Å
29	F	95.7	Very high	93.6	Very high	151 Å²	151	82 Å²	82	66%	0.662	42%	0.417	S	S	*	.	H	α-helix	trans	-120.8	-17.1	-168.2	-56.7	-69.6	0	0	0	114.6	A25 E33	A25-F29 WeakPolarHBondContact O-CD2 3.45Å; A25-F29 PolarHBondContact O-N 3.4Å; F29-E33 HydrophobicContact CB-CB 3.67Å; F29-E33 HydrophobicContact CB-CG 4.27Å; F29-E33 VanDerWaalsContact O-CG 3.29Å; F29-E33 WeakPolarHBondContact O-CG 3.3Å; F29-E33 VanDerWaalsContact O-OE2 3.11Å
30	G	95.8	Very high	94.2	Very high	22 Å²	22	83.9 Å²	83.9	23%	0.227	43%	0.429	C	S	.	.			trans	107.2	164.2	-174.2	0	0	0	0	0	113.3	Y26 E33 A34	Y26-G30 WeakPolarHBondContact CA-O 3.37Å; Y26-G30 CarbonylContact O-C 3.6Å; Y26-G30 WeakPolarHBondContact O-CA 3.49Å; Y26-G30 PolarHBondContact O-N 3.49Å; G30-E33 WeakPolarHBondContact CA-OE2 3.28Å; G30-A34 WeakPolarHBondContact O-CB 3.47Å; G30-A34 PolarHBondContact O-N 3.36Å; G30-A34 VanDerWaalsContact O-N 3.08Å
31	H	96.9	Very high	95	Very high	119 Å²	119	76.1 Å²	76.1	55%	0.551	40%	0.402	S	S	*	.	H	α-helix	trans	-65.4	-43.4	-175.4	-70.6	-140	0	0	0	111.5	L12 Y26 A34 V35	L12-H31 HydrophobicContact CD1-CB 4.04Å; Y26-H31 AromaticContact CD2-CD2 3.86Å; Y26-H31 AromaticContact CD2-NE2 3.78Å; H31-A34 PolarHBondContact O-N 3.37Å; H31-V35 WeakPolarHBondContact O-CG2 3.38Å; H31-V35 PolarHBondContact O-N 3.42Å
32	R	97.3	Very high	95.6	Very high	203 Å²	203	74.5 Å²	74.5	77%	0.766	38%	0.375	S	S	*	.	H	α-helix	trans	-67.8	-41.9	-176.6	-64.9	179.2	-179.6	178.5	-0	110.8	A34 V35 L36	R32-A34 VanDerWaalsContact C-N 3.34Å; R32-V35 PolarHBondContact O-N 3.42Å; R32-L36 WeakPolarHBondContact O-CG 3.4Å; R32-L36 PolarHBondContact O-N 3.36Å
33	E	97.2	Very high	96	Very high	101 Å²	101	71.4 Å²	71.4	47%	0.472	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-37.2	179.4	-66	72.4	-162.1	0	0	111.2	F29 G30 G37	F29-E33 HydrophobicContact CB-CB 3.67Å; F29-E33 HydrophobicContact CB-CG 4.27Å; F29-E33 VanDerWaalsContact O-CG 3.29Å; F29-E33 WeakPolarHBondContact O-CG 3.3Å; F29-E33 VanDerWaalsContact O-OE2 3.11Å; G30-E33 WeakPolarHBondContact CA-OE2 3.28Å; E33-G37 WeakPolarHBondContact O-CA 3.32Å; E33-G37 PolarHBondContact O-N 2.95Å
34	A	96.7	Very high	96.3	Very high	2 Å²	2	69.9 Å²	69.9	2%	0.017	36%	0.356	C	S	.	.	H	α-helix	trans	-65.1	-46.1	173.9	0	0	0	0	0	112.4	I8 L12 A25 G30 H31 R32 G37 G38	I8-A34 HydrophobicContact CG2-CB 4.32Å; I8-A34 VanDerWaalsContact CG2-O 3.26Å; I8-A34 WeakPolarHBondContact CG2-O 3.42Å; L12-A34 HydrophobicContact CD2-CB 4.4Å; A25-A34 HydrophobicContact CB-CB 4.43Å; G30-A34 WeakPolarHBondContact O-CB 3.47Å; G30-A34 PolarHBondContact O-N 3.36Å; G30-A34 VanDerWaalsContact O-N 3.08Å; H31-A34 PolarHBondContact O-N 3.37Å; R32-A34 VanDerWaalsContact C-N 3.34Å; A34-G37 PolarHBondContact O-N 2.89Å; A34-G38 PolarHBondContact O-N 3.35Å
35	V	97.8	Very high	96.4	Very high	59 Å²	59	70.1 Å²	70.1	36%	0.358	36%	0.357	S	S	.	.	H	α-helix	trans	-57.9	-53.5	175.6	175.8	0	0	0	0	110.4	H9 L12 H31 R32 G37 G38 D39	H9-V35 PolarHBondContact NE2-O 3.06Å; L12-V35 HydrophobicContact CD2-CG2 3.39Å; H31-V35 WeakPolarHBondContact O-CG2 3.38Å; H31-V35 PolarHBondContact O-N 3.42Å; R32-V35 PolarHBondContact O-N 3.42Å; V35-G37 VanDerWaalsContact C-N 3.29Å; V35-G37 PolarHBondContact O-N 3.38Å; V35-G38 PolarHBondContact O-N 3.04Å; V35-D39 VanDerWaalsContact O-CG 3.28Å; V35-D39 PolarHBondContact O-N 3Å
36	L	97.8	Very high	96.5	Very high	119 Å²	119	71.5 Å²	71.5	62%	0.623	37%	0.366	S	S	*	.	H	α-helix	trans	-61.9	-36.2	179.7	-68.8	174.5	0	0	0	112.5	R32 D39 F40	R32-L36 WeakPolarHBondContact O-CG 3.4Å; R32-L36 PolarHBondContact O-N 3.36Å; L36-D39 PolarHBondContact O-N 3.25Å; L36-F40 VanDerWaalsContact O-CB 3.23Å; L36-F40 WeakPolarHBondContact O-CB 3.38Å; L36-F40 PolarHBondContact O-N 3.19Å
37	G	97.5	Very high	96.6	Very high	26 Å²	26	76.9 Å²	76.9	27%	0.268	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-44.5	176.6	0	0	0	0	0	112.4	E33 A34 V35 I41	E33-G37 WeakPolarHBondContact O-CA 3.32Å; E33-G37 PolarHBondContact O-N 2.95Å; A34-G37 PolarHBondContact O-N 2.89Å; V35-G37 VanDerWaalsContact C-N 3.29Å; V35-G37 PolarHBondContact O-N 3.38Å; G37-I41 WeakPolarHBondContact O-CG1 3.47Å; G37-I41 PolarHBondContact O-N 3.34Å; G37-I41 VanDerWaalsContact O-N 3.14Å
38	G	97	Very high	96.6	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-63.4	-46.1	173.6	0	0	0	0	0	111.9	A5 H9 A34 V35 F40 I41 L42	A5-G38 WeakPolarHBondContact CB-O 3.45Å; H9-G38 WeakPolarHBondContact NE2-CA 3.4Å; A34-G38 PolarHBondContact O-N 3.35Å; V35-G38 PolarHBondContact O-N 3.04Å; G38-F40 VanDerWaalsContact C-N 3.32Å; G38-F40 PolarHBondContact O-N 3.05Å; G38-I41 PolarHBondContact O-N 3.36Å; G38-L42 WeakPolarHBondContact O-CB 3.42Å; G38-L42 PolarHBondContact O-N 3.14Å
39	D	97.6	Very high	96.5	Very high	69 Å²	69	72.7 Å²	72.7	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-38.8	178.7	-68.5	-8.2	0	0	0	112.2	H9 V35 L36 L42 T43	H9-D39 IonicContact CE1-OD1 2.84Å; H9-D39 PolarHBondContact CE1-OD1 2.99Å; H9-D39 VanDerWaalsContact CE1-OD1 3.26Å; H9-D39 IonicContact NE2-OD1 2.88Å; H9-D39 PolarHBondContact NE2-OD1 2.96Å; V35-D39 VanDerWaalsContact O-CG 3.28Å; V35-D39 PolarHBondContact O-N 3Å; L36-D39 PolarHBondContact O-N 3.25Å; D39-L42 PolarHBondContact O-N 3.35Å; D39-T43 VanDerWaalsContact O-CB 3.28Å; D39-T43 WeakPolarHBondContact O-CB 3.14Å; D39-T43 PolarHBondContact O-N 3.16Å; D39-T43 PolarHBondContact O-OG1 3.06Å
40	F	97.8	Very high	96.4	Very high	146 Å²	146	68.5 Å²	68.5	64%	0.64	35%	0.354	S	S	*	.	H	α-helix	trans	-62.8	-46.9	175.6	177.8	-97.5	0	0	0	111.6	L36 G38 L42 T43 H44	L36-F40 VanDerWaalsContact O-CB 3.23Å; L36-F40 WeakPolarHBondContact O-CB 3.38Å; L36-F40 PolarHBondContact O-N 3.19Å; G38-F40 VanDerWaalsContact C-N 3.32Å; G38-F40 PolarHBondContact O-N 3.05Å; F40-L42 VanDerWaalsContact C-N 3.34Å; F40-T43 PolarHBondContact O-N 2.73Å; F40-H44 WeakPolarHBondContact O-CB 3.19Å; F40-H44 PolarHBondContact O-N 3.41Å
41	I	97.8	Very high	96.4	Very high	39 Å²	39	73.5 Å²	73.5	20%	0.2	37%	0.372	C	S	.	.	H	α-helix	trans	-64.9	-40.5	177.8	-67	173	0	0	0	110.6	M1 T4 A5 I8 G37 G38 H44 S45	M1-I41 HydrophobicContact CB-CG2 4.14Å; M1-I41 HydrophobicContact CE-CG2 4.31Å; M1-I41 WeakPolarHBondContact O-CG2 3.04Å; T4-I41 HydrophobicContact CG2-CD1 4.36Å; A5-I41 HydrophobicContact CB-CB 4.05Å; A5-I41 HydrophobicContact CB-CG2 3.9Å; I8-I41 HydrophobicContact CD1-CD1 3.6Å; G37-I41 WeakPolarHBondContact O-CG1 3.47Å; G37-I41 PolarHBondContact O-N 3.34Å; G37-I41 VanDerWaalsContact O-N 3.14Å; G38-I41 PolarHBondContact O-N 3.36Å; I41-H44 PolarHBondContact O-N 3Å; I41-S45 WeakPolarHBondContact O-CB 3.45Å; I41-S45 PolarHBondContact O-N 3.4Å; I41-S45 PolarHBondContact O-OG 3.14Å
42	L	96.3	Very high	96.2	Very high	41 Å²	41	71.3 Å²	71.3	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-47.5	177	-172.5	61.1	0	0	0	111	I2 A5 G38 D39 F40 H44 S45 S46 I65	I2-L42 HydrophobicContact CG1-CD1 4.34Å; I2-L42 HydrophobicContact CG2-CD1 4.46Å; A5-L42 HydrophobicContact CB-CB 4.1Å; G38-L42 WeakPolarHBondContact O-CB 3.42Å; G38-L42 PolarHBondContact O-N 3.14Å; D39-L42 PolarHBondContact O-N 3.35Å; F40-L42 VanDerWaalsContact C-N 3.34Å; L42-H44 VanDerWaalsContact C-N 3.32Å; L42-H44 PolarHBondContact O-N 3.14Å; L42-S45 WeakPolarHBondContact O-CA 3.48Å; L42-S45 VanDerWaalsContact O-CB 3.25Å; L42-S45 WeakPolarHBondContact O-CB 3.49Å; L42-S45 PolarHBondContact O-N 2.95Å; L42-S46 PolarHBondContact O-N 3.09Å; L42-S46 PolarHBondContact O-OG 3.16Å; L42-I65 HydrophobicContact CD1-CD1 3.79Å; L42-I65 HydrophobicContact CD1-CG1 4.06Å; L42-I65 HydrophobicContact CD1-CG2 4.5Å; L42-I65 HydrophobicContact CD2-CG2 4.35Å
43	T	96.5	Very high	95.9	Very high	95 Å²	95	64.7 Å²	64.7	58%	0.583	36%	0.359	S	S	*	.	H	α-helix	trans	-58.2	-44	175.7	-60.5	0	0	0	0	111.5	D39 F40 S45 S46 R47	D39-T43 VanDerWaalsContact O-CB 3.28Å; D39-T43 WeakPolarHBondContact O-CB 3.14Å; D39-T43 PolarHBondContact O-N 3.16Å; D39-T43 PolarHBondContact O-OG1 3.06Å; F40-T43 PolarHBondContact O-N 2.73Å; T43-S45 VanDerWaalsContact C-N 3.32Å; T43-S45 PolarHBondContact O-N 3.45Å; T43-S46 PolarHBondContact O-N 3.11Å; T43-R47 PolarHBondContact O-N 3.27Å
44	H	97.1	Very high	95.9	Very high	62 Å²	62	62.4 Å²	62.4	29%	0.287	35%	0.349	S	S	.	.	H	α-helix	trans	-65.1	-38.1	176.4	-163.4	103.2	0	0	0	111.8	M1 F40 I41 L42 R47 L48	M1-H44 HydrophobicContact CE-CB 3.78Å; M1-H44 WeakPolarHBondContact CE-CD2 3.46Å; F40-H44 WeakPolarHBondContact O-CB 3.19Å; F40-H44 PolarHBondContact O-N 3.41Å; I41-H44 PolarHBondContact O-N 3Å; L42-H44 VanDerWaalsContact C-N 3.32Å; L42-H44 PolarHBondContact O-N 3.14Å; H44-R47 PolarHBondContact CE1-NH2 3.08Å; H44-R47 PolarHBondContact NE2-NH2 3.4Å; H44-R47 VanDerWaalsContact NE2-NH2 3.17Å; H44-R47 PolarHBondContact O-N 3.03Å; H44-L48 WeakPolarHBondContact O-CG 3.06Å; H44-L48 PolarHBondContact O-N 2.92Å; H44-L48 VanDerWaalsContact O-N 3.09Å
45	S	95.2	Very high	95.8	Very high	6 Å²	6	68 Å²	68	4%	0.042	38%	0.383	C	S	.	.	H	α-helix	trans	-59.7	-49.8	173.6	-53.5	0	0	0	0	110.7	M1 I2 I41 L42 T43 R47 L48 L49	M1-S45 WeakPolarHBondContact CB-OG 3.2Å; I2-S45 PolarHBondContact N-OG 2.85Å; I41-S45 WeakPolarHBondContact O-CB 3.45Å; I41-S45 PolarHBondContact O-N 3.4Å; I41-S45 PolarHBondContact O-OG 3.14Å; L42-S45 WeakPolarHBondContact O-CA 3.48Å; L42-S45 VanDerWaalsContact O-CB 3.25Å; L42-S45 WeakPolarHBondContact O-CB 3.49Å; L42-S45 PolarHBondContact O-N 2.95Å; T43-S45 VanDerWaalsContact C-N 3.32Å; T43-S45 PolarHBondContact O-N 3.45Å; S45-R47 VanDerWaalsContact C-N 3.29Å; S45-R47 PolarHBondContact O-N 3.43Å; S45-L48 PolarHBondContact O-N 2.92Å; S45-L48 VanDerWaalsContact O-N 3.1Å; S45-L49 WeakPolarHBondContact O-CG 3.29Å; S45-L49 PolarHBondContact O-N 2.95Å
46	S	93.8	Very high	95.7	Very high	54 Å²	54	66.3 Å²	66.3	38%	0.378	38%	0.378	S	S	.	.	H	α-helix	trans	-59.5	-39.1	178.8	-57.9	0	0	0	0	112.3	L42 T43 L49 A50	L42-S46 PolarHBondContact O-N 3.09Å; L42-S46 PolarHBondContact O-OG 3.16Å; T43-S46 PolarHBondContact O-N 3.11Å; S46-L49 PolarHBondContact O-N 3.32Å; S46-A50 PolarHBondContact O-N 3.48Å
47	R	95.7	Very high	95.7	Very high	125 Å²	125	60.7 Å²	60.7	47%	0.472	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-42.2	174.4	-171.2	-177.2	66.5	101.6	8.6	112.3	T43 H44 S45 A50 Q51	T43-R47 PolarHBondContact O-N 3.27Å; H44-R47 PolarHBondContact CE1-NH2 3.08Å; H44-R47 PolarHBondContact NE2-NH2 3.4Å; H44-R47 VanDerWaalsContact NE2-NH2 3.17Å; H44-R47 PolarHBondContact O-N 3.03Å; S45-R47 VanDerWaalsContact C-N 3.29Å; S45-R47 PolarHBondContact O-N 3.43Å; R47-A50 PolarHBondContact O-N 3.26Å; R47-Q51 WeakPolarHBondContact O-CG 3.49Å; R47-Q51 PolarHBondContact O-N 3.36Å
48	L	94.5	Very high	95.6	Very high	65 Å²	65	61.8 Å²	61.8	34%	0.34	35%	0.348	S	S	.	.	H	α-helix	trans	-66.9	-38.3	176.1	-68.6	174.8	0	0	0	111.7	M1 H44 S45 Q51 I52	M1-L48 HydrophobicContact CE-CD1 4.36Å; M1-L48 HydrophobicContact SD-CD1 3.52Å; M1-L48 VanDerWaalsContact SD-CD1 3.52Å; H44-L48 WeakPolarHBondContact O-CG 3.06Å; H44-L48 PolarHBondContact O-N 2.92Å; H44-L48 VanDerWaalsContact O-N 3.09Å; S45-L48 PolarHBondContact O-N 2.92Å; S45-L48 VanDerWaalsContact O-N 3.1Å; L48-Q51 WeakPolarHBondContact O-CB 3.35Å; L48-Q51 PolarHBondContact O-N 3.48Å; L48-I52 PolarHBondContact O-N 3.28Å
49	L	93.3	Very high	95.6	Very high	22 Å²	22	64.6 Å²	64.6	12%	0.115	37%	0.371	C	S	.	.	H	α-helix	trans	-61.9	-44	174.2	-67.2	-176.5	0	0	0	111.8	I2 S45 S46 Q51 I52 I58 L61	I2-L49 HydrophobicContact CD1-CD1 4.16Å; S45-L49 WeakPolarHBondContact O-CG 3.29Å; S45-L49 PolarHBondContact O-N 2.95Å; S46-L49 PolarHBondContact O-N 3.32Å; L49-Q51 PolarHBondContact O-N 3.25Å; L49-I52 HydrophobicContact CD2-CD1 3.92Å; L49-I52 VanDerWaalsContact O-CB 3.32Å; L49-I52 WeakPolarHBondContact O-CB 3.27Å; L49-I52 PolarHBondContact O-N 3.01Å; L49-I52 VanDerWaalsContact O-N 3.08Å; L49-I58 HydrophobicContact CB-CG1 4.37Å; L49-I58 WeakPolarHBondContact O-CG1 3.16Å; L49-L61 HydrophobicContact CD1-CB 3.76Å; L49-L61 HydrophobicContact CD1-CD1 4.35Å; L49-L61 HydrophobicContact CD2-CB 4.35Å; L49-L61 HydrophobicContact CD2-CD1 3.37Å; L49-L61 HydrophobicContact CD2-CG 4.49Å; L49-L61 HydrophobicContact CG-CD1 4.49Å
50	A	94	Very high	95.5	Very high	63 Å²	63	62.2 Å²	62.2	52%	0.521	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-32.7	175.8	0	0	0	0	0	112.6	S46 R47 I52 G53	S46-A50 PolarHBondContact O-N 3.48Å; R47-A50 PolarHBondContact O-N 3.26Å; A50-I52 VanDerWaalsContact C-N 3.29Å; A50-I52 PolarHBondContact O-N 3.32Å; A50-G53 PolarHBondContact O-N 3.37Å
51	Q	95.4	Very high	95.4	Very high	127 Å²	127	56.2 Å²	56.2	59%	0.593	33%	0.334	S	S	*	.	H	α-helix	trans	-71.7	-18.4	177.4	-71.9	174.5	-3.8	0	0	114.1	R47 L48 L49 G53	R47-Q51 WeakPolarHBondContact O-CG 3.49Å; R47-Q51 PolarHBondContact O-N 3.36Å; L48-Q51 WeakPolarHBondContact O-CB 3.35Å; L48-Q51 PolarHBondContact O-N 3.48Å; L49-Q51 PolarHBondContact O-N 3.25Å; Q51-G53 PolarHBondContact O-N 3.36Å
52	I	93.2	Very high	95.3	Very high	74 Å²	74	57 Å²	57	38%	0.379	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-30.4	172.9	-61.7	174	0	0	0	110.2	L48 L49 A50 D54 V57 L112	L48-I52 PolarHBondContact O-N 3.28Å; L49-I52 HydrophobicContact CD2-CD1 3.92Å; L49-I52 VanDerWaalsContact O-CB 3.32Å; L49-I52 WeakPolarHBondContact O-CB 3.27Å; L49-I52 PolarHBondContact O-N 3.01Å; L49-I52 VanDerWaalsContact O-N 3.08Å; A50-I52 VanDerWaalsContact C-N 3.29Å; A50-I52 PolarHBondContact O-N 3.32Å; I52-D54 HydrophobicContact CG2-CB 4.24Å; I52-D54 PolarHBondContact O-N 3.15Å; I52-V57 HydrophobicContact CD1-CG1 4.15Å; I52-V57 HydrophobicContact CG2-CG1 4.4Å; I52-L112 HydrophobicContact CG2-CD1 4.18Å; I52-L112 HydrophobicContact CG2-CD2 3.73Å
53	G	92.4	Very high	95.3	Very high	64 Å²	64	58.6 Å²	58.6	66%	0.66	35%	0.349	S	S	*	.			trans	76.8	4.9	175.8	0	0	0	0	0	115	A50 Q51	A50-G53 PolarHBondContact O-N 3.37Å; Q51-G53 PolarHBondContact O-N 3.36Å
54	D	95.5	Very high	95.3	Very high	52 Å²	52	54.1 Å²	54.1	28%	0.278	32%	0.321	S	S	.	.			trans	-105.3	111.1	176.4	-173	-58.5	0	0	0	110.5	I52 G56 V57 I58 L112	I52-D54 HydrophobicContact CG2-CB 4.24Å; I52-D54 PolarHBondContact O-N 3.15Å; D54-G56 VanDerWaalsContact C-N 3.29Å; D54-G56 PolarHBondContact O-N 2.96Å; D54-G56 WeakPolarHBondContact OD1-CA 3.46Å; D54-G56 PolarHBondContact OD1-N 2.83Å; D54-V57 HydrophobicContact CB-CB 4.02Å; D54-V57 HydrophobicContact CB-CG2 3.98Å; D54-V57 PolarHBondContact O-N 3.11Å; D54-V57 PolarHBondContact OD1-N 2.86Å; D54-I58 WeakPolarHBondContact O-CD1 3.32Å; D54-I58 VanDerWaalsContact O-CG1 3.27Å; D54-I58 WeakPolarHBondContact O-CG1 3.16Å; D54-I58 PolarHBondContact O-N 3.43Å; D54-L112 HydrophobicContact CB-CD2 3.99Å
55	T	95.8	Very high	95.2	Very high	119 Å²	119	52.7 Å²	52.7	73%	0.73	32%	0.316	S	S	*	.	H	α-helix	trans	-67.2	-29	-177.1	52.7	0	0	0	0	113	A59	T55-A59 WeakPolarHBondContact O-CB 3.4Å; T55-A59 PolarHBondContact O-N 3.37Å
56	G	96	Very high	95.3	Very high	24 Å²	24	56.8 Å²	56.8	25%	0.247	33%	0.334	C	S	.	.	H	α-helix	trans	-68.3	-44.4	175.4	0	0	0	0	0	111.4	D54 I58 A59 V60	D54-G56 VanDerWaalsContact C-N 3.29Å; D54-G56 PolarHBondContact O-N 2.96Å; D54-G56 WeakPolarHBondContact OD1-CA 3.46Å; D54-G56 PolarHBondContact OD1-N 2.83Å; G56-I58 VanDerWaalsContact C-N 3.35Å; G56-A59 PolarHBondContact O-N 2.89Å; G56-V60 WeakPolarHBondContact O-CB 3.4Å; G56-V60 WeakPolarHBondContact O-CG2 3.36Å; G56-V60 PolarHBondContact O-N 3.33Å
57	V	96.6	Very high	95.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-43.7	174.3	168.5	0	0	0	0	111.2	I52 D54 A59 V60 L61 A108 M111 L112	I52-V57 HydrophobicContact CD1-CG1 4.15Å; I52-V57 HydrophobicContact CG2-CG1 4.4Å; D54-V57 HydrophobicContact CB-CB 4.02Å; D54-V57 HydrophobicContact CB-CG2 3.98Å; D54-V57 PolarHBondContact O-N 3.11Å; D54-V57 PolarHBondContact OD1-N 2.86Å; V57-A59 VanDerWaalsContact C-N 3.34Å; V57-A59 PolarHBondContact O-N 3.34Å; V57-V60 PolarHBondContact O-N 3.2Å; V57-L61 HydrophobicContact CG1-CD1 3.84Å; V57-L61 WeakPolarHBondContact O-CB 3.34Å; V57-L61 WeakPolarHBondContact O-CG 2.95Å; V57-L61 PolarHBondContact O-N 3.4Å; V57-A108 HydrophobicContact CG1-CB 3.97Å; V57-A108 HydrophobicContact CG2-CB 4.43Å; V57-M111 HydrophobicContact CG2-CB 4.02Å; V57-M111 HydrophobicContact CG2-CE 4.41Å; V57-L112 HydrophobicContact CG2-CD2 3.84Å; V57-L112 HydrophobicContact CG2-CG 3.96Å
58	I	95.8	Very high	95.5	Very high	50 Å²	50	49.7 Å²	49.7	26%	0.256	30%	0.301	S	S	.	.	H	α-helix	trans	-61.1	-43.3	176.9	-66.7	163.1	0	0	0	110.9	L49 D54 G56 L61 S62	L49-I58 HydrophobicContact CB-CG1 4.37Å; L49-I58 WeakPolarHBondContact O-CG1 3.16Å; D54-I58 WeakPolarHBondContact O-CD1 3.32Å; D54-I58 VanDerWaalsContact O-CG1 3.27Å; D54-I58 WeakPolarHBondContact O-CG1 3.16Å; D54-I58 PolarHBondContact O-N 3.43Å; G56-I58 VanDerWaalsContact C-N 3.35Å; I58-L61 PolarHBondContact O-N 3.35Å; I58-S62 VanDerWaalsContact O-CB 3.29Å; I58-S62 WeakPolarHBondContact O-CB 3.43Å; I58-S62 PolarHBondContact O-N 3.04Å; I58-S62 PolarHBondContact O-OG 3.27Å
59	A	96.2	Very high	95.4	Very high	59 Å²	59	51.2 Å²	51.2	49%	0.488	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-47	177.7	0	0	0	0	0	111.8	T55 G56 V57 L61 S62 Q63	T55-A59 WeakPolarHBondContact O-CB 3.4Å; T55-A59 PolarHBondContact O-N 3.37Å; G56-A59 PolarHBondContact O-N 2.89Å; V57-A59 VanDerWaalsContact C-N 3.34Å; V57-A59 PolarHBondContact O-N 3.34Å; A59-L61 PolarHBondContact O-N 3.27Å; A59-S62 PolarHBondContact O-N 3.08Å; A59-Q63 PolarHBondContact O-N 2.92Å
60	V	97.2	Very high	95.5	Very high	19 Å²	19	53.3 Å²	53.3	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-41.2	179	163.8	0	0	0	0	112.2	G56 V57 Q63 N104 K107 A108 M111	G56-V60 WeakPolarHBondContact O-CB 3.4Å; G56-V60 WeakPolarHBondContact O-CG2 3.36Å; G56-V60 PolarHBondContact O-N 3.33Å; V57-V60 PolarHBondContact O-N 3.2Å; V60-Q63 WeakPolarHBondContact O-CB 3.14Å; V60-Q63 PolarHBondContact O-N 3.1Å; V60-N104 HydrophobicContact CG1-CB 3.62Å; V60-N104 WeakPolarHBondContact CG1-O 3.41Å; V60-N104 WeakPolarHBondContact CG1-OD1 3.47Å; V60-K107 HydrophobicContact CG1-CB 4.33Å; V60-K107 HydrophobicContact CG1-CD 4.25Å; V60-K107 HydrophobicContact CG1-CG 4.5Å; V60-K107 HydrophobicContact CG2-CD 4.14Å; V60-A108 HydrophobicContact CG1-CB 4.34Å; V60-M111 HydrophobicContact CG2-CE 4.42Å; V60-M111 HydrophobicContact CG2-SD 3.89Å
61	L	95.7	Very high	95.5	Very high	19 Å²	19	50.3 Å²	50.3	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-80.6	-24.2	179.3	-67.6	172.8	0	0	0	112.9	L49 V57 I58 A59 Q63 V64 A108	L49-L61 HydrophobicContact CD1-CB 3.76Å; L49-L61 HydrophobicContact CD1-CD1 4.35Å; L49-L61 HydrophobicContact CD2-CB 4.35Å; L49-L61 HydrophobicContact CD2-CD1 3.37Å; L49-L61 HydrophobicContact CD2-CG 4.49Å; L49-L61 HydrophobicContact CG-CD1 4.49Å; V57-L61 HydrophobicContact CG1-CD1 3.84Å; V57-L61 WeakPolarHBondContact O-CB 3.34Å; V57-L61 WeakPolarHBondContact O-CG 2.95Å; V57-L61 PolarHBondContact O-N 3.4Å; I58-L61 PolarHBondContact O-N 3.35Å; A59-L61 PolarHBondContact O-N 3.27Å; L61-Q63 VanDerWaalsContact C-N 3.35Å; L61-V64 HydrophobicContact CD2-CG2 4.46Å; L61-V64 WeakPolarHBondContact O-CB 3.49Å; L61-V64 PolarHBondContact O-N 3.09Å; L61-A108 HydrophobicContact CD1-CB 3.96Å; L61-A108 HydrophobicContact CD2-CB 4.16Å; L61-A108 HydrophobicContact CG-CB 3.98Å
62	S	94.1	Very high	95.3	Very high	55 Å²	55	45.1 Å²	45.1	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-66.3	-37.3	168.4	-59.9	0	0	0	0	111.8	I58 A59 V64 I65 E66	I58-S62 VanDerWaalsContact O-CB 3.29Å; I58-S62 WeakPolarHBondContact O-CB 3.43Å; I58-S62 PolarHBondContact O-N 3.04Å; I58-S62 PolarHBondContact O-OG 3.27Å; A59-S62 PolarHBondContact O-N 3.08Å; S62-V64 PolarHBondContact O-N 3.39Å; S62-I65 WeakPolarHBondContact O-CB 3.34Å; S62-I65 PolarHBondContact O-N 2.85Å; S62-E66 PolarHBondContact O-N 3.21Å
63	Q	96.7	Very high	95.2	Very high	75 Å²	75	47.4 Å²	47.4	35%	0.35	28%	0.279	S	S	.	.	H	α-helix	trans	-57.6	-33	174.3	-175.3	63.5	61.3	0	0	112.3	A59 V60 L61 I65 E66 D67	A59-Q63 PolarHBondContact O-N 2.92Å; V60-Q63 WeakPolarHBondContact O-CB 3.14Å; V60-Q63 PolarHBondContact O-N 3.1Å; L61-Q63 VanDerWaalsContact C-N 3.35Å; Q63-I65 VanDerWaalsContact C-N 3.31Å; Q63-I65 PolarHBondContact O-N 3.46Å; Q63-E66 PolarHBondContact O-N 3.42Å; Q63-D67 PolarHBondContact NE2-OD1 3.44Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.17Å; Q63-D67 WeakPolarHBondContact O-CB 3.38Å; Q63-D67 PolarHBondContact O-N 2.95Å
64	V	97.3	Very high	95.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-40.4	176	177.9	0	0	0	0	111.3	I2 L61 S62 E66 D67 L68 L101 N104	I2-V64 HydrophobicContact CG2-CG1 4.44Å; L61-V64 HydrophobicContact CD2-CG2 4.46Å; L61-V64 WeakPolarHBondContact O-CB 3.49Å; L61-V64 PolarHBondContact O-N 3.09Å; S62-V64 PolarHBondContact O-N 3.39Å; V64-E66 VanDerWaalsContact C-N 3.33Å; V64-D67 PolarHBondContact O-N 3.17Å; V64-L68 HydrophobicContact CG1-CD1 4Å; V64-L68 HydrophobicContact CG1-CG 4.32Å; V64-L68 WeakPolarHBondContact O-CB 3.46Å; V64-L68 WeakPolarHBondContact O-CG 3.48Å; V64-L68 PolarHBondContact O-N 2.97Å; V64-L101 HydrophobicContact CG1-CB 3.78Å; V64-L101 HydrophobicContact CG1-CD1 3.71Å; V64-L101 HydrophobicContact CG1-CG 4.34Å; V64-N104 HydrophobicContact CG2-CB 3.39Å
65	I	95	Very high	94.5	Very high	32 Å²	32	45.7 Å²	45.7	16%	0.164	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-44.8	178.6	-58.5	169	0	0	0	109.4	I2 L42 S62 Q63 L68 I69	I2-I65 HydrophobicContact CD1-CD1 4.42Å; I2-I65 HydrophobicContact CD1-CG1 4.27Å; I2-I65 HydrophobicContact CG2-CG1 4.05Å; L42-I65 HydrophobicContact CD1-CD1 3.79Å; L42-I65 HydrophobicContact CD1-CG1 4.06Å; L42-I65 HydrophobicContact CD1-CG2 4.5Å; L42-I65 HydrophobicContact CD2-CG2 4.35Å; S62-I65 WeakPolarHBondContact O-CB 3.34Å; S62-I65 PolarHBondContact O-N 2.85Å; Q63-I65 VanDerWaalsContact C-N 3.31Å; Q63-I65 PolarHBondContact O-N 3.46Å; I65-L68 PolarHBondContact O-N 3.47Å; I65-I69 HydrophobicContact CG2-CD1 4.05Å; I65-I69 WeakPolarHBondContact O-CG1 3.33Å; I65-I69 PolarHBondContact O-N 3.4Å; I65-I69 VanDerWaalsContact O-N 3.14Å
66	E	96.3	Very high	93.7	Very high	92 Å²	92	46.3 Å²	46.3	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-45.4	175.8	-178.2	178.1	171.6	0	0	112	S62 Q63 V64 L68 I69 H70	S62-E66 PolarHBondContact O-N 3.21Å; Q63-E66 PolarHBondContact O-N 3.42Å; V64-E66 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.38Å; E66-I69 PolarHBondContact O-N 3.21Å; E66-H70 WeakPolarHBondContact CG-CE1 3.38Å; E66-H70 VanDerWaalsContact CG-ND1 3.27Å; E66-H70 WeakPolarHBondContact CG-ND1 3.39Å; E66-H70 WeakPolarHBondContact O-CB 3.48Å; E66-H70 PolarHBondContact O-N 2.91Å; E66-H70 PolarHBondContact O-ND1 2.94Å; E66-H70 IonicContact OE1-CE1 3Å; E66-H70 PolarHBondContact OE1-CE1 3.48Å; E66-H70 IonicContact OE1-ND1 2.64Å
67	D	97.9	Very high	93.2	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.043	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-42.6	178.8	-77.1	-18.6	0	0	0	111.4	Q63 V64 H70 G71 R96 S100	Q63-D67 PolarHBondContact NE2-OD1 3.44Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.17Å; Q63-D67 WeakPolarHBondContact O-CB 3.38Å; Q63-D67 PolarHBondContact O-N 2.95Å; V64-D67 PolarHBondContact O-N 3.17Å; D67-H70 PolarHBondContact O-N 3.25Å; D67-G71 PolarHBondContact O-N 3.03Å; D67-R96 HydrophobicContact CB-CB 4.4Å; D67-R96 HydrophobicContact CB-CG 4.2Å; D67-R96 WeakPolarHBondContact O-CB 3.28Å; D67-S100 VanDerWaalsContact OD2-CB 3.22Å; D67-S100 WeakPolarHBondContact OD2-CB 3.47Å; D67-S100 PolarHBondContact OD2-OG 3.07Å
68	L	95.4	Very high	92.6	Very high	23 Å²	23	52.4 Å²	52.4	12%	0.12	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-48.9	176.8	-73.2	168.1	0	0	0	111.5	I2 V64 I65 E66 G71 E72 K97	I2-L68 HydrophobicContact CG2-CD1 3.83Å; V64-L68 HydrophobicContact CG1-CD1 4Å; V64-L68 HydrophobicContact CG1-CG 4.32Å; V64-L68 WeakPolarHBondContact O-CB 3.46Å; V64-L68 WeakPolarHBondContact O-CG 3.48Å; V64-L68 PolarHBondContact O-N 2.97Å; I65-L68 PolarHBondContact O-N 3.47Å; E66-L68 PolarHBondContact O-N 3.38Å; L68-G71 PolarHBondContact O-N 2.89Å; L68-E72 PolarHBondContact O-N 3.21Å; L68-K97 WeakPolarHBondContact CD2-O 3.29Å
69	I	93.9	Very high	92.1	Very high	97 Å²	97	52 Å²	52	50%	0.497	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-47.5	178.9	-66.2	166.1	0	0	0	110.5	I65 E66 G71 E72 M73	I65-I69 HydrophobicContact CG2-CD1 4.05Å; I65-I69 WeakPolarHBondContact O-CG1 3.33Å; I65-I69 PolarHBondContact O-N 3.4Å; I65-I69 VanDerWaalsContact O-N 3.14Å; E66-I69 PolarHBondContact O-N 3.21Å; I69-G71 VanDerWaalsContact C-N 3.31Å; I69-G71 PolarHBondContact O-N 2.85Å; I69-E72 WeakPolarHBondContact O-CB 3.43Å; I69-E72 PolarHBondContact O-N 3.01Å; I69-M73 HydrophobicContact CG2-SD 4.27Å; I69-M73 WeakPolarHBondContact O-CG 3.33Å; I69-M73 PolarHBondContact O-N 3.48Å
70	H	95.1	Very high	91.7	Very high	66 Å²	66	51 Å²	51	31%	0.306	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-37.7	178.1	-78.4	96.3	0	0	0	112.4	E66 D67 E72 M73 M74	E66-H70 WeakPolarHBondContact CG-CE1 3.38Å; E66-H70 VanDerWaalsContact CG-ND1 3.27Å; E66-H70 WeakPolarHBondContact CG-ND1 3.39Å; E66-H70 WeakPolarHBondContact O-CB 3.48Å; E66-H70 PolarHBondContact O-N 2.91Å; E66-H70 PolarHBondContact O-ND1 2.94Å; E66-H70 IonicContact OE1-CE1 3Å; E66-H70 PolarHBondContact OE1-CE1 3.48Å; E66-H70 IonicContact OE1-ND1 2.64Å; D67-H70 PolarHBondContact O-N 3.25Å; H70-E72 VanDerWaalsContact C-N 3.27Å; H70-E72 PolarHBondContact O-N 2.97Å; H70-M73 PolarHBondContact O-N 3.15Å; H70-M74 WeakPolarHBondContact O-CG 3.37Å; H70-M74 PolarHBondContact O-N 3.5Å
71	G	93.7	Very high	91.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-38.2	175	0	0	0	0	0	112.1	D67 L68 I69 Q75	D67-G71 PolarHBondContact O-N 3.03Å; L68-G71 PolarHBondContact O-N 2.89Å; I69-G71 VanDerWaalsContact C-N 3.31Å; I69-G71 PolarHBondContact O-N 2.85Å; G71-Q75 PolarHBondContact O-N 3.5Å
72	E	90.5	Very high	91.1	Very high	17 Å²	17	58 Å²	58	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-68.3	-46.5	174.2	-168.7	53.3	-135.4	0	0	112.1	I13 L68 I69 H70 M74 Q75 K97	I13-E72 HydrophobicContact CD1-CG 3.88Å; I13-E72 WeakPolarHBondContact CG2-OE1 3.43Å; L68-E72 PolarHBondContact O-N 3.21Å; I69-E72 WeakPolarHBondContact O-CB 3.43Å; I69-E72 PolarHBondContact O-N 3.01Å; H70-E72 VanDerWaalsContact C-N 3.27Å; H70-E72 PolarHBondContact O-N 2.97Å; E72-M74 PolarHBondContact O-N 2.91Å; E72-Q75 VanDerWaalsContact O-CB 3.27Å; E72-Q75 WeakPolarHBondContact O-CB 3.4Å; E72-Q75 PolarHBondContact O-N 3.4Å; E72-K97 WeakPolarHBondContact OE2-CE 3.42Å; E72-K97 IonicContact OE2-NZ 3.63Å; E72-K97 PolarHBondContact OE2-NZ 2.89Å
73	M	91.2	Very high	91	Very high	122 Å²	122	58.3 Å²	58.3	60%	0.601	31%	0.312	S	S	*	.	H	α-helix	trans	-60.8	-33.6	176.7	-65.5	-178.3	99.4	0	0	112.6	I69 H70 Q75 L76	I69-M73 HydrophobicContact CG2-SD 4.27Å; I69-M73 WeakPolarHBondContact O-CG 3.33Å; I69-M73 PolarHBondContact O-N 3.48Å; H70-M73 PolarHBondContact O-N 3.15Å; M73-Q75 PolarHBondContact O-N 2.91Å; M73-L76 PolarHBondContact O-N 3.43Å
74	M	90.8	Very high	90.8	Very high	41 Å²	41	60.6 Å²	60.6	20%	0.202	33%	0.327	C	S	.	.	H	α-helix	trans	-66.2	-25.4	175.3	-73.1	176.1	69.9	0	0	113.1	H70 E72 L76 A77 T89 T92 K93 R96	H70-M74 WeakPolarHBondContact O-CG 3.37Å; H70-M74 PolarHBondContact O-N 3.5Å; E72-M74 PolarHBondContact O-N 2.91Å; M74-L76 VanDerWaalsContact C-N 3.28Å; M74-A77 PolarHBondContact O-N 3.43Å; M74-T89 HydrophobicContact CE-CG2 3.83Å; M74-T92 HydrophobicContact CE-CG2 3.74Å; M74-T92 HydrophobicContact SD-CG2 3.97Å; M74-K93 HydrophobicContact CE-CB 4.47Å; M74-R96 PolarHBondContact SD-NH1 3.46Å; M74-R96 VanDerWaalsContact SD-NH1 3.39Å
75	Q	82.4	Confident	90.6	Very high	39 Å²	39	66.5 Å²	66.5	18%	0.182	35%	0.352	C	S	.	.	H	α-helix	trans	-70.1	-28.2	175.4	-172.6	166.8	-46.8	0	0	112.1	D14 G71 E72 M73 A77 L164	D14-Q75 PolarHBondContact OD1-NE2 3.46Å; G71-Q75 PolarHBondContact O-N 3.5Å; E72-Q75 VanDerWaalsContact O-CB 3.27Å; E72-Q75 WeakPolarHBondContact O-CB 3.4Å; E72-Q75 PolarHBondContact O-N 3.4Å; M73-Q75 PolarHBondContact O-N 2.91Å; Q75-A77 VanDerWaalsContact C-N 3.32Å; Q75-L164 HydrophobicContact CG-CD2 3.63Å
76	L	80.8	Confident	90.5	Very high	132 Å²	132	65.4 Å²	65.4	69%	0.691	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-12	177.7	-57.1	175.5	0	0	0	113.1	M73 M74	M73-L76 PolarHBondContact O-N 3.43Å; M74-L76 VanDerWaalsContact C-N 3.28Å
77	A	85.2	Confident	90.5	Very high	44 Å²	44	62.6 Å²	62.6	36%	0.364	33%	0.333	S	S	.	.	S	Bend	trans	-78.6	145	-178.3	0	0	0	0	0	111.4	M74 Q75	M74-A77 PolarHBondContact O-N 3.43Å; Q75-A77 VanDerWaalsContact C-N 3.32Å
78	P	83.6	Confident	90.3	Very high	110 Å²	110	67.7 Å²	67.7	71%	0.714	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-64.6	148.7	174.1	27.8	-34.2	0	0	0	111.2
79	N	85.4	Confident	90.3	Very high	41 Å²	41	69.4 Å²	69.4	22%	0.219	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-66.1	140.7	175	-72.7	-36.1	0	0	0	110.5	L183	N79-L183 PolarHBondContact ND2-O 2.88Å
80	S	88.6	Confident	90.4	Very high	39 Å²	39	65.1 Å²	65.1	27%	0.273	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-70	144	171.8	-165.8	0	0	0	0	110.9	D82 R86	S80-D82 PolarHBondContact O-N 3.49Å; S80-D82 PolarHBondContact OG-N 3.15Å; S80-R86 VanDerWaalsContact O-CZ 3.3Å; S80-R86 PolarHBondContact O-NE 2.86Å; S80-R86 PolarHBondContact O-NH2 3.36Å
81	D	88.3	Confident	90.5	Very high	116 Å²	116	63.7 Å²	63.7	62%	0.62	34%	0.34	S	S	*	.	S	Bend	trans	-69.8	-17.6	169.8	-164.6	14.2	0	0	0	112.4	L184	D81-L184 HydrophobicContact CB-CD2 3.98Å; D81-L184 WeakPolarHBondContact OD1-CD1 3.14Å
82	D	92	Very high	90.7	Very high	68 Å²	68	66.2 Å²	66.2	36%	0.364	36%	0.355	S	S	.	.	S	Bend	trans	-89.3	124.5	176.8	-179.8	-94.7	0	0	0	111.2	S80 D84 K85 R86	S80-D82 PolarHBondContact O-N 3.49Å; S80-D82 PolarHBondContact OG-N 3.15Å; D82-D84 PolarHBondContact O-N 2.95Å; D82-D84 PolarHBondContact OD1-N 2.91Å; D82-K85 HydrophobicContact CB-CB 4.1Å; D82-K85 HydrophobicContact CB-CD 3.98Å; D82-K85 HydrophobicContact CB-CG 4.22Å; D82-K85 PolarHBondContact O-N 2.94Å; D82-K85 WeakPolarHBondContact OD1-CB 3.43Å; D82-K85 VanDerWaalsContact OD1-CG 3.26Å; D82-K85 WeakPolarHBondContact OD1-CG 3.35Å; D82-K85 PolarHBondContact OD1-N 3.39Å; D82-R86 WeakPolarHBondContact O-CB 3.3Å; D82-R86 PolarHBondContact O-N 2.91Å
83	D	90.7	Very high	90.9	Very high	62 Å²	62	66.8 Å²	66.8	33%	0.332	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-41.5	-174	-69.7	-12.2	0	0	0	112.2	R86 F87 N180	D83-R86 WeakPolarHBondContact O-CB 3.42Å; D83-R86 PolarHBondContact O-N 2.87Å; D83-R86 IonicContact OD1-CZ 3.2Å; D83-R86 IonicContact OD1-NH1 2.75Å; D83-R86 IonicContact OD1-NH2 3.77Å; D83-F87 PolarHBondContact O-N 3.36Å; D83-N180 PolarHBondContact OD1-ND2 3.09Å; D83-N180 PolarHBondContact OD1-OD1 2.71Å; D83-N180 VanDerWaalsContact OD1-OD1 3.12Å; D83-N180 PolarHBondContact OD2-ND2 2.87Å
84	D	92	Very high	91.1	Very high	122 Å²	122	61.2 Å²	61.2	65%	0.652	33%	0.33	S	S	*	.	H	α-helix	trans	-64.9	-46.1	178.4	-76	-22.1	0	0	0	110.9	D82 R86 F87 Q88	D82-D84 PolarHBondContact O-N 2.95Å; D82-D84 PolarHBondContact OD1-N 2.91Å; D84-R86 VanDerWaalsContact C-N 3.3Å; D84-R86 PolarHBondContact O-N 3.37Å; D84-F87 PolarHBondContact O-N 3.21Å; D84-Q88 WeakPolarHBondContact O-CG 3.35Å; D84-Q88 PolarHBondContact O-N 3.38Å
85	K	94.2	Very high	91.5	Very high	126 Å²	126	61.4 Å²	61.4	55%	0.548	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-38	175	-73.9	176.2	-165.7	168.6	0	112.1	D82 Q88 T89	D82-K85 HydrophobicContact CB-CB 4.1Å; D82-K85 HydrophobicContact CB-CD 3.98Å; D82-K85 HydrophobicContact CB-CG 4.22Å; D82-K85 PolarHBondContact O-N 2.94Å; D82-K85 WeakPolarHBondContact OD1-CB 3.43Å; D82-K85 VanDerWaalsContact OD1-CG 3.26Å; D82-K85 WeakPolarHBondContact OD1-CG 3.35Å; D82-K85 PolarHBondContact OD1-N 3.39Å; K85-Q88 PolarHBondContact O-N 2.99Å; K85-T89 VanDerWaalsContact O-CB 3.3Å; K85-T89 WeakPolarHBondContact O-CB 3.28Å; K85-T89 PolarHBondContact O-N 3.31Å; K85-T89 PolarHBondContact O-OG1 3.4Å
86	R	93.3	Very high	92.2	Very high	8 Å²	8	62.8 Å²	62.8	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-44.7	175.8	-161.2	-178.6	-57.1	146.7	14.1	110.7	S80 D82 D83 D84 T89 Y90 L170 N180	S80-R86 VanDerWaalsContact O-CZ 3.3Å; S80-R86 PolarHBondContact O-NE 2.86Å; S80-R86 PolarHBondContact O-NH2 3.36Å; D82-R86 WeakPolarHBondContact O-CB 3.3Å; D82-R86 PolarHBondContact O-N 2.91Å; D83-R86 WeakPolarHBondContact O-CB 3.42Å; D83-R86 PolarHBondContact O-N 2.87Å; D83-R86 IonicContact OD1-CZ 3.2Å; D83-R86 IonicContact OD1-NH1 2.75Å; D83-R86 IonicContact OD1-NH2 3.77Å; D84-R86 VanDerWaalsContact C-N 3.3Å; D84-R86 PolarHBondContact O-N 3.37Å; R86-T89 PolarHBondContact O-N 2.97Å; R86-Y90 PolarHBondContact O-N 2.64Å; R86-L170 HydrophobicContact CB-CD2 4.46Å; R86-L170 VanDerWaalsContact CD-CD2 3.43Å; R86-L170 HydrophobicContact CG-CD2 3.65Å; R86-N180 PolarHBondContact NH1-OD1 3.12Å
87	F	94.7	Very high	92.8	Very high	33 Å²	33	58.8 Å²	58.8	15%	0.145	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-41.9	177	-159.6	-95.8	0	0	0	112.9	D83 D84 T89 Y90 L91 L170 F171 L212	D83-F87 PolarHBondContact O-N 3.36Å; D84-F87 PolarHBondContact O-N 3.21Å; F87-T89 VanDerWaalsContact C-N 3.33Å; F87-T89 PolarHBondContact O-N 3.06Å; F87-Y90 HydrophobicContact CE2-CD1 4.44Å; F87-Y90 WeakPolarHBondContact O-CB 3.47Å; F87-Y90 PolarHBondContact O-N 2.97Å; F87-L91 HydrophobicContact CD1-CD1 3.9Å; F87-L91 HydrophobicContact CD1-CG 4.14Å; F87-L91 HydrophobicContact CE1-CD1 3.66Å; F87-L91 HydrophobicContact CE1-CD2 4.24Å; F87-L91 HydrophobicContact CE1-CG 3.94Å; F87-L91 PolarHBondContact O-N 3.49Å; F87-L170 HydrophobicContact CD2-CB 4Å; F87-L170 HydrophobicContact CD2-CD1 4.23Å; F87-L170 HydrophobicContact CE2-CB 4.4Å; F87-F171 HydrophobicContact CE1-CZ 4.48Å; F87-F171 HydrophobicContact CE2-CD1 4.24Å; F87-F171 HydrophobicContact CE2-CD2 4.17Å; F87-F171 AromaticContact CE2-CE1 3.84Å; F87-F171 HydrophobicContact CE2-CE1 3.84Å; F87-F171 AromaticContact CE2-CE2 3.74Å; F87-F171 HydrophobicContact CE2-CE2 3.74Å; F87-F171 HydrophobicContact CE2-CG 4.42Å; F87-F171 AromaticContact CE2-CZ 3.59Å; F87-F171 HydrophobicContact CE2-CZ 3.59Å; F87-F171 AromaticContact CZ-CE1 3.87Å; F87-F171 HydrophobicContact CZ-CE1 3.87Å; F87-F171 AromaticContact CZ-CE2 3.78Å; F87-F171 HydrophobicContact CZ-CE2 3.78Å; F87-F171 AromaticContact CZ-CZ 3.35Å; F87-F171 HydrophobicContact CZ-CZ 3.35Å; F87-L212 HydrophobicContact CE1-CD2 4.36Å; F87-L212 HydrophobicContact CZ-CD2 3.9Å
88	Q	95.4	Very high	93.2	Very high	115 Å²	115	57.9 Å²	57.9	54%	0.537	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-39.3	174.7	-69.6	-57.4	-33.9	0	0	112.4	D84 K85 Y90 L91 T92	D84-Q88 WeakPolarHBondContact O-CG 3.35Å; D84-Q88 PolarHBondContact O-N 3.38Å; K85-Q88 PolarHBondContact O-N 2.99Å; Q88-Y90 VanDerWaalsContact C-N 3.35Å; Q88-L91 PolarHBondContact O-N 2.98Å; Q88-T92 VanDerWaalsContact O-CB 3.3Å; Q88-T92 WeakPolarHBondContact O-CB 3.39Å; Q88-T92 PolarHBondContact O-N 3.47Å; Q88-T92 PolarHBondContact O-OG1 3.12Å
89	T	94.8	Very high	93.9	Very high	60 Å²	60	52.6 Å²	52.6	37%	0.368	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-44.4	176.2	-60.3	0	0	0	0	110.4	M74 K85 R86 F87 T92 K93	M74-T89 HydrophobicContact CE-CG2 3.83Å; K85-T89 VanDerWaalsContact O-CB 3.3Å; K85-T89 WeakPolarHBondContact O-CB 3.28Å; K85-T89 PolarHBondContact O-N 3.31Å; K85-T89 PolarHBondContact O-OG1 3.4Å; R86-T89 PolarHBondContact O-N 2.97Å; F87-T89 VanDerWaalsContact C-N 3.33Å; F87-T89 PolarHBondContact O-N 3.06Å; T89-T92 PolarHBondContact O-N 3.34Å; T89-K93 WeakPolarHBondContact O-CB 3.45Å; T89-K93 PolarHBondContact O-N 3.24Å
90	Y	95.3	Very high	94.5	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-57.5	-53.2	173.9	164.3	-108.7	0	0	0	112.3	R86 F87 Q88 T92 K93 T94 L138 D141 G167 L170	R86-Y90 PolarHBondContact O-N 2.64Å; F87-Y90 HydrophobicContact CE2-CD1 4.44Å; F87-Y90 WeakPolarHBondContact O-CB 3.47Å; F87-Y90 PolarHBondContact O-N 2.97Å; Q88-Y90 VanDerWaalsContact C-N 3.35Å; Y90-T92 VanDerWaalsContact C-N 3.31Å; Y90-T92 PolarHBondContact O-N 3.49Å; Y90-K93 WeakPolarHBondContact O-CB 3.38Å; Y90-K93 PolarHBondContact O-N 2.69Å; Y90-T94 WeakPolarHBondContact O-CB 3.5Å; Y90-T94 PolarHBondContact O-N 3.42Å; Y90-T94 PolarHBondContact O-OG1 3.43Å; Y90-T94 VanDerWaalsContact O-OG1 3.09Å; Y90-L138 HydrophobicContact CE1-CD2 4.07Å; Y90-L138 VanDerWaalsContact OH-CD2 3.22Å; Y90-L138 WeakPolarHBondContact OH-CD2 3.46Å; Y90-D141 WeakPolarHBondContact CE2-OD2 3.39Å; Y90-D141 VanDerWaalsContact CZ-OD2 3.25Å; Y90-D141 PolarHBondContact OH-OD2 3.4Å; Y90-G167 VanDerWaalsContact CZ-N 3.31Å; Y90-G167 PolarHBondContact OH-N 2.89Å; Y90-L170 HydrophobicContact CD1-CD1 3.8Å; Y90-L170 HydrophobicContact CD2-CD1 4.09Å; Y90-L170 HydrophobicContact CG-CD1 3.47Å; Y90-L170 VanDerWaalsContact CG-CD1 3.47Å
91	L	97.3	Very high	94.9	Very high	35 Å²	35	50.4 Å²	50.4	18%	0.183	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-38.5	178.9	-67.3	-178.5	0	0	0	112.7	F87 Q88 T94 Y95 M134 L212	F87-L91 HydrophobicContact CD1-CD1 3.9Å; F87-L91 HydrophobicContact CD1-CG 4.14Å; F87-L91 HydrophobicContact CE1-CD1 3.66Å; F87-L91 HydrophobicContact CE1-CD2 4.24Å; F87-L91 HydrophobicContact CE1-CG 3.94Å; F87-L91 PolarHBondContact O-N 3.49Å; Q88-L91 PolarHBondContact O-N 2.98Å; L91-T94 PolarHBondContact O-N 3.16Å; L91-Y95 WeakPolarHBondContact O-CB 3.43Å; L91-Y95 PolarHBondContact O-N 2.93Å; L91-M134 HydrophobicContact CB-CE 4.39Å; L91-M134 HydrophobicContact CD2-CE 3.83Å; L91-L212 HydrophobicContact CD2-CD2 4.09Å
92	T	97.4	Very high	95.4	Very high	54 Å²	54	47.2 Å²	47.2	33%	0.331	23%	0.233	S	C	.	.	H	α-helix	trans	-66.3	-42.5	177.1	-59.3	0	0	0	0	111.2	M74 Q88 T89 Y90 Y95 R96	M74-T92 HydrophobicContact CE-CG2 3.74Å; M74-T92 HydrophobicContact SD-CG2 3.97Å; Q88-T92 VanDerWaalsContact O-CB 3.3Å; Q88-T92 WeakPolarHBondContact O-CB 3.39Å; Q88-T92 PolarHBondContact O-N 3.47Å; Q88-T92 PolarHBondContact O-OG1 3.12Å; T89-T92 PolarHBondContact O-N 3.34Å; Y90-T92 VanDerWaalsContact C-N 3.31Å; Y90-T92 PolarHBondContact O-N 3.49Å; T92-Y95 PolarHBondContact O-N 3.29Å; T92-R96 WeakPolarHBondContact O-CB 3.5Å; T92-R96 WeakPolarHBondContact O-CG 3.5Å; T92-R96 PolarHBondContact O-N 2.96Å
93	K	95.2	Very high	95.7	Very high	29 Å²	29	44 Å²	44	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-47.7	174.1	-173.9	-176	71.2	172.3	0	110.6	M74 T89 Y90 Y95 R96 K97	M74-K93 HydrophobicContact CE-CB 4.47Å; T89-K93 WeakPolarHBondContact O-CB 3.45Å; T89-K93 PolarHBondContact O-N 3.24Å; Y90-K93 WeakPolarHBondContact O-CB 3.38Å; Y90-K93 PolarHBondContact O-N 2.69Å; K93-Y95 VanDerWaalsContact C-N 3.32Å; K93-Y95 PolarHBondContact O-N 2.91Å; K93-R96 PolarHBondContact O-N 3.03Å; K93-R96 VanDerWaalsContact O-N 3.16Å; K93-K97 HydrophobicContact CG-CD 4.47Å; K93-K97 HydrophobicContact CG-CG 4.5Å; K93-K97 WeakPolarHBondContact O-CB 3.31Å; K93-K97 PolarHBondContact O-N 2.71Å
94	T	96.2	Very high	96	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-42.8	177.2	-66.5	0	0	0	0	112.1	Y90 L91 T98 A99 M134 Q137	Y90-T94 WeakPolarHBondContact O-CB 3.5Å; Y90-T94 PolarHBondContact O-N 3.42Å; Y90-T94 PolarHBondContact O-OG1 3.43Å; Y90-T94 VanDerWaalsContact O-OG1 3.09Å; L91-T94 PolarHBondContact O-N 3.16Å; T94-T98 PolarHBondContact O-N 3.26Å; T94-A99 PolarHBondContact O-N 3.42Å; T94-M134 HydrophobicContact CG2-CE 3.8Å; T94-M134 HydrophobicContact CG2-SD 3.8Å; T94-Q137 HydrophobicContact CG2-CB 3.52Å; T94-Q137 HydrophobicContact CG2-CG 3.63Å
95	Y	98.4	Very high	96.3	Very high	44 Å²	44	37.7 Å²	37.7	17%	0.173	19%	0.186	C	C	.	.	I	π-helix	trans	-61.3	-51.4	173.3	170.3	-95.9	0	0	0	111.2	L91 T92 K93 A99 S100 Y126 K130	L91-Y95 WeakPolarHBondContact O-CB 3.43Å; L91-Y95 PolarHBondContact O-N 2.93Å; T92-Y95 PolarHBondContact O-N 3.29Å; K93-Y95 VanDerWaalsContact C-N 3.32Å; K93-Y95 PolarHBondContact O-N 2.91Å; Y95-A99 HydrophobicContact CD2-CB 3.98Å; Y95-A99 CarbonylContact O-C 3.49Å; Y95-A99 PolarHBondContact O-N 2.88Å; Y95-S100 WeakPolarHBondContact O-CB 3.35Å; Y95-S100 PolarHBondContact O-N 3.33Å; Y95-Y126 WeakPolarHBondContact CE2-OH 3.22Å; Y95-Y126 PolarHBondContact OH-OH 3.44Å; Y95-K130 HydrophobicContact CD2-CD 4.41Å; Y95-K130 HydrophobicContact CD2-CG 4.06Å; Y95-K130 HydrophobicContact CE2-CD 4.19Å; Y95-K130 HydrophobicContact CE2-CG 4.07Å
96	R	97.4	Very high	96.4	Very high	69 Å²	69	32.9 Å²	32.9	26%	0.26	17%	0.167	S	C	.	.	I	π-helix	trans	-65.7	-47.5	-173.8	-81.5	-175.9	171.2	179.6	-6.5	113.6	D67 M74 T92 K93	D67-R96 HydrophobicContact CB-CB 4.4Å; D67-R96 HydrophobicContact CB-CG 4.2Å; D67-R96 WeakPolarHBondContact O-CB 3.28Å; M74-R96 PolarHBondContact SD-NH1 3.46Å; M74-R96 VanDerWaalsContact SD-NH1 3.39Å; T92-R96 WeakPolarHBondContact O-CB 3.5Å; T92-R96 WeakPolarHBondContact O-CG 3.5Å; T92-R96 PolarHBondContact O-N 2.96Å; K93-R96 PolarHBondContact O-N 3.03Å; K93-R96 VanDerWaalsContact O-N 3.16Å
97	K	93.9	Very high	96.7	Very high	47 Å²	47	34.8 Å²	34.8	20%	0.204	18%	0.176	C	C	.	.	I	π-helix	trans	-70.9	-33.5	-179.6	-81.2	-160.6	143.9	-171.1	0	113.4	L68 E72 K93	L68-K97 WeakPolarHBondContact CD2-O 3.29Å; E72-K97 WeakPolarHBondContact OE2-CE 3.42Å; E72-K97 IonicContact OE2-NZ 3.63Å; E72-K97 PolarHBondContact OE2-NZ 2.89Å; K93-K97 HydrophobicContact CG-CD 4.47Å; K93-K97 HydrophobicContact CG-CG 4.5Å; K93-K97 WeakPolarHBondContact O-CB 3.31Å; K93-K97 PolarHBondContact O-N 2.71Å
98	T	93.9	Very high	96.8	Very high	25 Å²	25	33.4 Å²	33.4	15%	0.153	17%	0.171	C	C	.	.	I	π-helix	trans	-126.8	-57.4	-167.9	-55.5	0	0	0	0	113	T94 S100 F136 Q137	T94-T98 PolarHBondContact O-N 3.26Å; T98-S100 PolarHBondContact O-N 2.89Å; T98-F136 HydrophobicContact CG2-CD1 3.92Å; T98-Q137 HydrophobicContact CG2-CB 4.2Å; T98-Q137 PolarHBondContact OG1-OE1 2.95Å
99	A	97.7	Very high	96.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-72.1	-31.5	-168.7	0	0	0	0	0	114.2	T94 Y95 L101 I102 A103 M134	T94-A99 PolarHBondContact O-N 3.42Å; Y95-A99 HydrophobicContact CD2-CB 3.98Å; Y95-A99 CarbonylContact O-C 3.49Å; Y95-A99 PolarHBondContact O-N 2.88Å; A99-L101 PolarHBondContact O-N 3.42Å; A99-I102 PolarHBondContact O-N 2.91Å; A99-A103 VanDerWaalsContact O-CB 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.3Å; A99-A103 PolarHBondContact O-N 3.42Å; A99-M134 HydrophobicContact CB-CG 3.91Å; A99-M134 HydrophobicContact CB-SD 3.91Å
100	S	98.4	Very high	96.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-45.3	-178.9	174.3	0	0	0	0	111.6	D67 Y95 T98 I102 A103 N104	D67-S100 VanDerWaalsContact OD2-CB 3.22Å; D67-S100 WeakPolarHBondContact OD2-CB 3.47Å; D67-S100 PolarHBondContact OD2-OG 3.07Å; Y95-S100 WeakPolarHBondContact O-CB 3.35Å; Y95-S100 PolarHBondContact O-N 3.33Å; T98-S100 PolarHBondContact O-N 2.89Å; S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact O-N 3.01Å; S100-A103 PolarHBondContact O-N 3.29Å; S100-N104 VanDerWaalsContact O-CB 3.28Å; S100-N104 WeakPolarHBondContact O-CB 3.43Å; S100-N104 PolarHBondContact O-N 3.01Å; S100-N104 PolarHBondContact O-ND2 3.48Å; S100-N104 PolarHBondContact OG-ND2 3.38Å
101	L	97.5	Very high	97	Very high	34 Å²	34	31.5 Å²	31.5	18%	0.178	17%	0.166	C	C	.	.	H	α-helix	trans	-56.3	-46.8	177.2	171.5	67.3	0	0	0	111.4	H3 V64 A99 S105	H3-L101 HydrophobicContact CB-CD2 3.63Å; V64-L101 HydrophobicContact CG1-CB 3.78Å; V64-L101 HydrophobicContact CG1-CD1 3.71Å; V64-L101 HydrophobicContact CG1-CG 4.34Å; A99-L101 PolarHBondContact O-N 3.42Å; L101-S105 WeakPolarHBondContact O-CB 3.25Å; L101-S105 PolarHBondContact O-N 3.26Å; L101-S105 PolarHBondContact O-OG 3.22Å
102	I	97	Very high	96.9	Very high	48 Å²	48	34.1 Å²	34.1	25%	0.246	18%	0.18	C	C	.	.	H	α-helix	trans	-70.2	-46.6	-177.5	-59.7	171.3	0	0	0	109.9	A99 S100 S105 C106 G129 L132	A99-I102 PolarHBondContact O-N 2.91Å; S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact O-N 3.01Å; I102-S105 PolarHBondContact O-N 2.83Å; I102-C106 WeakPolarHBondContact O-CB 3.45Å; I102-C106 PolarHBondContact O-N 3.14Å; I102-C106 PolarHBondContact O-SG 2.93Å; I102-C106 VanDerWaalsContact O-SG 3.37Å; I102-G129 WeakPolarHBondContact CG2-O 3.41Å; I102-L132 HydrophobicContact CG2-CD2 4.34Å
103	A	98.5	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-55.8	-53.8	177.9	0	0	0	0	0	112.1	A99 S100 C106 K107 Y126 K130	A99-A103 VanDerWaalsContact O-CB 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.3Å; A99-A103 PolarHBondContact O-N 3.42Å; S100-A103 PolarHBondContact O-N 3.29Å; A103-C106 PolarHBondContact O-N 3.37Å; A103-K107 WeakPolarHBondContact O-CB 3.36Å; A103-K107 PolarHBondContact O-N 3.3Å; A103-Y126 HydrophobicContact CB-CD2 3.67Å; A103-Y126 HydrophobicContact CB-CE2 3.57Å; A103-Y126 HydrophobicContact CB-CG 4.35Å; A103-K130 HydrophobicContact CB-CB 3.77Å
104	N	98.3	Very high	96.5	Very high	8 Å²	8	37 Å²	37	4%	0.043	20%	0.2	C	C	.	.	H	α-helix	trans	-72	-30.3	-177.8	-73.4	-54.6	0	0	0	112.3	V60 V64 S100 K107 A108	V60-N104 HydrophobicContact CG1-CB 3.62Å; V60-N104 WeakPolarHBondContact CG1-O 3.41Å; V60-N104 WeakPolarHBondContact CG1-OD1 3.47Å; V64-N104 HydrophobicContact CG2-CB 3.39Å; S100-N104 VanDerWaalsContact O-CB 3.28Å; S100-N104 WeakPolarHBondContact O-CB 3.43Å; S100-N104 PolarHBondContact O-N 3.01Å; S100-N104 PolarHBondContact O-ND2 3.48Å; S100-N104 PolarHBondContact OG-ND2 3.38Å; N104-K107 PolarHBondContact O-N 3.49Å; N104-A108 WeakPolarHBondContact O-CB 3.28Å; N104-A108 PolarHBondContact O-N 3.35Å
105	S	97.2	Very high	96.1	Very high	45 Å²	45	42.8 Å²	42.8	32%	0.315	24%	0.237	S	C	.	.	H	α-helix	trans	-65.3	-45.3	171.4	-63	0	0	0	0	111.9	L101 I102 A108 V109	L101-S105 WeakPolarHBondContact O-CB 3.25Å; L101-S105 PolarHBondContact O-N 3.26Å; L101-S105 PolarHBondContact O-OG 3.22Å; I102-S105 PolarHBondContact O-N 2.83Å; S105-A108 PolarHBondContact O-N 3.08Å; S105-V109 WeakPolarHBondContact O-CG2 3.5Å; S105-V109 PolarHBondContact O-N 3.26Å; S105-V109 VanDerWaalsContact O-N 3.11Å
106	C	97.1	Very high	95.9	Very high	24 Å²	24	46.6 Å²	46.6	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-44.1	175.4	-73.1	0	0	0	0	111.6	I102 A103 A110 M125	I102-C106 WeakPolarHBondContact O-CB 3.45Å; I102-C106 PolarHBondContact O-N 3.14Å; I102-C106 PolarHBondContact O-SG 2.93Å; I102-C106 VanDerWaalsContact O-SG 3.37Å; A103-C106 PolarHBondContact O-N 3.37Å; C106-A110 WeakPolarHBondContact O-CB 3.44Å; C106-A110 PolarHBondContact O-N 2.93Å; C106-A110 VanDerWaalsContact O-N 3.12Å; C106-M125 HydrophobicContact CB-CB 4.36Å; C106-M125 HydrophobicContact CB-CE 4Å; C106-M125 WeakPolarHBondContact CB-O 3.36Å
107	K	98.2	Very high	95.6	Very high	49 Å²	49	45.3 Å²	45.3	21%	0.213	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-50	175.5	-170.2	178.5	-179.3	165.2	0	112	V60 A103 N104 V109 A110 M111 I122 Y126	V60-K107 HydrophobicContact CG1-CB 4.33Å; V60-K107 HydrophobicContact CG1-CD 4.25Å; V60-K107 HydrophobicContact CG1-CG 4.5Å; V60-K107 HydrophobicContact CG2-CD 4.14Å; A103-K107 WeakPolarHBondContact O-CB 3.36Å; A103-K107 PolarHBondContact O-N 3.3Å; N104-K107 PolarHBondContact O-N 3.49Å; K107-V109 PolarHBondContact O-N 3.25Å; K107-A110 WeakPolarHBondContact O-CB 3.47Å; K107-A110 PolarHBondContact O-N 3.24Å; K107-A110 VanDerWaalsContact O-N 3.1Å; K107-M111 HydrophobicContact CG-CG 4.47Å; K107-M111 HydrophobicContact CG-SD 4.04Å; K107-M111 VanDerWaalsContact O-CG 3.29Å; K107-M111 WeakPolarHBondContact O-CG 3.23Å; K107-M111 PolarHBondContact O-N 2.95Å; K107-I122 HydrophobicContact CG-CG2 3.83Å; K107-Y126 HydrophobicContact CB-CD2 4.36Å; K107-Y126 HydrophobicContact CD-CD2 4.03Å; K107-Y126 HydrophobicContact CD-CG 4.33Å
108	A	97.4	Very high	95.7	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.033	27%	0.272	C	S	.	.	H	α-helix	trans	-57.3	-46.1	-179.1	0	0	0	0	0	112.1	V57 V60 L61 N104 S105 A110 M111 L112	V57-A108 HydrophobicContact CG1-CB 3.97Å; V57-A108 HydrophobicContact CG2-CB 4.43Å; V60-A108 HydrophobicContact CG1-CB 4.34Å; L61-A108 HydrophobicContact CD1-CB 3.96Å; L61-A108 HydrophobicContact CD2-CB 4.16Å; L61-A108 HydrophobicContact CG-CB 3.98Å; N104-A108 WeakPolarHBondContact O-CB 3.28Å; N104-A108 PolarHBondContact O-N 3.35Å; S105-A108 PolarHBondContact O-N 3.08Å; A108-A110 VanDerWaalsContact C-N 3.33Å; A108-A110 PolarHBondContact O-N 3.27Å; A108-M111 PolarHBondContact O-N 2.86Å; A108-L112 PolarHBondContact O-N 3.47Å
109	V	95.9	Very high	95.8	Very high	100 Å²	100	49.9 Å²	49.9	61%	0.606	29%	0.29	S	S	*	.	H	α-helix	trans	-64.6	-39.2	176.9	174.2	0	0	0	0	111.3	S105 K107 L112	S105-V109 WeakPolarHBondContact O-CG2 3.5Å; S105-V109 PolarHBondContact O-N 3.26Å; S105-V109 VanDerWaalsContact O-N 3.11Å; K107-V109 PolarHBondContact O-N 3.25Å; V109-L112 PolarHBondContact O-N 2.93Å
110	A	96.6	Very high	95.7	Very high	6 Å²	6	56.6 Å²	56.6	5%	0.05	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-38.2	177.1	0	0	0	0	0	112.4	C106 K107 A108 L112 T113 L117 I122 M125	C106-A110 WeakPolarHBondContact O-CB 3.44Å; C106-A110 PolarHBondContact O-N 2.93Å; C106-A110 VanDerWaalsContact O-N 3.12Å; K107-A110 WeakPolarHBondContact O-CB 3.47Å; K107-A110 PolarHBondContact O-N 3.24Å; K107-A110 VanDerWaalsContact O-N 3.1Å; A108-A110 VanDerWaalsContact C-N 3.33Å; A108-A110 PolarHBondContact O-N 3.27Å; A110-L112 VanDerWaalsContact C-N 3.27Å; A110-L112 PolarHBondContact O-N 3.31Å; A110-T113 WeakPolarHBondContact O-CB 3.41Å; A110-T113 PolarHBondContact O-N 3.48Å; A110-T113 VanDerWaalsContact O-N 3.09Å; A110-T113 PolarHBondContact O-OG1 2.97Å; A110-L117 HydrophobicContact CB-CD1 4.18Å; A110-I122 HydrophobicContact CB-CB 4.41Å; A110-I122 HydrophobicContact CB-CG1 4.03Å; A110-I122 HydrophobicContact CB-CG2 4.45Å; A110-M125 HydrophobicContact CB-CB 3.98Å; A110-M125 HydrophobicContact CB-CG 3.89Å
111	M	97.4	Very high	95.7	Very high	36 Å²	36	58.9 Å²	58.9	18%	0.177	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-36.1	177.6	-70.7	168.8	65.7	0	0	112.6	V57 V60 K107 A108 T113 V114 I122	V57-M111 HydrophobicContact CG2-CB 4.02Å; V57-M111 HydrophobicContact CG2-CE 4.41Å; V60-M111 HydrophobicContact CG2-CE 4.42Å; V60-M111 HydrophobicContact CG2-SD 3.89Å; K107-M111 HydrophobicContact CG-CG 4.47Å; K107-M111 HydrophobicContact CG-SD 4.04Å; K107-M111 VanDerWaalsContact O-CG 3.29Å; K107-M111 WeakPolarHBondContact O-CG 3.23Å; K107-M111 PolarHBondContact O-N 2.95Å; A108-M111 PolarHBondContact O-N 2.86Å; M111-T113 PolarHBondContact O-N 3.28Å; M111-V114 WeakPolarHBondContact O-CG2 3.22Å; M111-V114 PolarHBondContact O-N 2.92Å; M111-I122 HydrophobicContact CG-CD1 4.31Å; M111-I122 HydrophobicContact CG-CG2 3.67Å
112	L	96.2	Very high	95.7	Very high	90 Å²	90	57.4 Å²	57.4	47%	0.471	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.8	177.8	-65	175.3	0	0	0	114.3	I52 D54 V57 A108 V109 A110	I52-L112 HydrophobicContact CG2-CD1 4.18Å; I52-L112 HydrophobicContact CG2-CD2 3.73Å; D54-L112 HydrophobicContact CB-CD2 3.99Å; V57-L112 HydrophobicContact CG2-CD2 3.84Å; V57-L112 HydrophobicContact CG2-CG 3.96Å; A108-L112 PolarHBondContact O-N 3.47Å; V109-L112 PolarHBondContact O-N 2.93Å; A110-L112 VanDerWaalsContact C-N 3.27Å; A110-L112 PolarHBondContact O-N 3.31Å
113	T	94.1	Very high	95.7	Very high	51 Å²	51	58.3 Å²	58.3	31%	0.313	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-1.6	-179.9	71.2	0	0	0	0	113.6	A110 M111 T116 L117	A110-T113 WeakPolarHBondContact O-CB 3.41Å; A110-T113 PolarHBondContact O-N 3.48Å; A110-T113 VanDerWaalsContact O-N 3.09Å; A110-T113 PolarHBondContact O-OG1 2.97Å; M111-T113 PolarHBondContact O-N 3.28Å; T113-T116 WeakPolarHBondContact O-CA 3.38Å; T113-T116 WeakPolarHBondContact O-CB 3.35Å; T113-T116 PolarHBondContact O-N 3.32Å; T113-T116 PolarHBondContact O-OG1 3.44Å; T113-T116 VanDerWaalsContact O-OG1 3.09Å; T113-L117 WeakPolarHBondContact OG1-CB 3.25Å; T113-L117 VanDerWaalsContact OG1-CD1 3.23Å; T113-L117 WeakPolarHBondContact OG1-CD1 3.37Å; T113-L117 WeakPolarHBondContact OG1-CG 3.46Å
114	V	88.5	Confident	95.7	Very high	93 Å²	93	59.3 Å²	59.3	56%	0.564	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	138.9	175.7	171.3	0	0	0	0	110	M111 I122	M111-V114 WeakPolarHBondContact O-CG2 3.22Å; M111-V114 PolarHBondContact O-N 2.92Å; V114-I122 HydrophobicContact CG2-CD1 3.77Å
115	P	89.2	Confident	95.6	Very high	125 Å²	125	60.1 Å²	60.1	81%	0.812	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.9	10.6	5.8	36.6	-36.6	0	0	0	115.1
116	T	92.5	Very high	95.7	Very high	125 Å²	125	60 Å²	60	77%	0.767	33%	0.326	S	S	*	.	S	Bend	trans	-66	-42.2	-175.1	-48.1	0	0	0	0	112.7	T113	T113-T116 WeakPolarHBondContact O-CA 3.38Å; T113-T116 WeakPolarHBondContact O-CB 3.35Å; T113-T116 PolarHBondContact O-N 3.32Å; T113-T116 PolarHBondContact O-OG1 3.44Å; T113-T116 VanDerWaalsContact O-OG1 3.09Å
117	L	92.3	Very high	95.8	Very high	42 Å²	42	61.9 Å²	61.9	22%	0.22	33%	0.332	C	S	.	.	S	Bend	trans	-95.5	138	173.9	-69.5	-173.7	0	0	0	110.9	A110 T113 H121 I122 F227	A110-L117 HydrophobicContact CB-CD1 4.18Å; T113-L117 WeakPolarHBondContact OG1-CB 3.25Å; T113-L117 VanDerWaalsContact OG1-CD1 3.23Å; T113-L117 WeakPolarHBondContact OG1-CD1 3.37Å; T113-L117 WeakPolarHBondContact OG1-CG 3.46Å; L117-H121 HydrophobicContact CB-CB 4.18Å; L117-H121 HydrophobicContact CD1-CB 4.49Å; L117-H121 HydrophobicContact CD2-CB 4.08Å; L117-H121 HydrophobicContact CG-CB 4.49Å; L117-I122 HydrophobicContact CB-CG1 4.46Å; L117-F227 HydrophobicContact CD1-CE1 4.35Å; L117-F227 HydrophobicContact CD2-CE1 4.18Å
118	S	95.5	Very high	95.7	Very high	56 Å²	56	59.7 Å²	59.7	39%	0.392	32%	0.322	S	S	.	.			trans	-71.7	160.1	171	73.3	0	0	0	0	111.3	W120 H121 I122	S118-W120 PolarHBondContact O-N 3.26Å; S118-H121 WeakPolarHBondContact O-CB 3.44Å; S118-H121 PolarHBondContact O-N 3.13Å; S118-H121 PolarHBondContact OG-N 2.9Å; S118-H121 PolarHBondContact OG-ND1 3.09Å; S118-I122 PolarHBondContact O-N 3.35Å; S118-I122 VanDerWaalsContact O-N 3.11Å
119	Q	95.9	Very high	95.7	Very high	112 Å²	112	59.5 Å²	59.5	52%	0.523	32%	0.321	S	S	.	.	H	α-helix	trans	-55.2	-39.1	173.3	-175.2	58.1	47.5	0	0	112	H121 I122 D123	Q119-H121 VanDerWaalsContact C-N 3.31Å; Q119-H121 PolarHBondContact O-N 3.36Å; Q119-I122 WeakPolarHBondContact O-CB 3.4Å; Q119-I122 PolarHBondContact O-N 3.39Å; Q119-I122 VanDerWaalsContact O-N 3.09Å; Q119-D123 PolarHBondContact NE2-OD1 2.87Å; Q119-D123 PolarHBondContact NE2-OD2 3.13Å; Q119-D123 PolarHBondContact O-N 3.39Å
120	W	96.7	Very high	95.9	Very high	141 Å²	141	57.7 Å²	57.7	53%	0.534	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-39.4	177.1	-179	87.1	0	0	0	112.5	S118 N124 Q226	S118-W120 PolarHBondContact O-N 3.26Å; W120-N124 VanDerWaalsContact O-CB 3.28Å; W120-N124 WeakPolarHBondContact O-CB 3.43Å; W120-N124 PolarHBondContact O-N 2.74Å; W120-Q226 HydrophobicContact CH2-CB 3.53Å; W120-Q226 HydrophobicContact CH2-CG 3.53Å; W120-Q226 HydrophobicContact CZ2-CG 4.18Å; W120-Q226 HydrophobicContact CZ3-CB 3.8Å; W120-Q226 HydrophobicContact CZ3-CG 4.28Å
121	H	96.8	Very high	95.9	Very high	47 Å²	47	58.8 Å²	58.8	22%	0.218	31%	0.309	C	S	.	.	H	α-helix	trans	-68.2	-36.2	174.3	-73.9	113	0	0	0	112.5	L117 S118 Q119 N124 M125 Q226 F227	L117-H121 HydrophobicContact CB-CB 4.18Å; L117-H121 HydrophobicContact CD1-CB 4.49Å; L117-H121 HydrophobicContact CD2-CB 4.08Å; L117-H121 HydrophobicContact CG-CB 4.49Å; S118-H121 WeakPolarHBondContact O-CB 3.44Å; S118-H121 PolarHBondContact O-N 3.13Å; S118-H121 PolarHBondContact OG-N 2.9Å; S118-H121 PolarHBondContact OG-ND1 3.09Å; Q119-H121 VanDerWaalsContact C-N 3.31Å; Q119-H121 PolarHBondContact O-N 3.36Å; H121-N124 PolarHBondContact O-N 3.03Å; H121-M125 PolarHBondContact O-N 3.01Å; H121-Q226 PolarHBondContact NE2-O 3.47Å; H121-F227 HydrophobicContact CB-CE1 3.99Å; H121-F227 HydrophobicContact CB-CZ 4.09Å; H121-F227 AromaticContact CD2-CE1 3.63Å; H121-F227 AromaticContact CD2-CZ 3.9Å
122	I	97.5	Very high	95.9	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-46.7	176.2	-66.6	167.8	0	0	0	110.5	K107 A110 M111 V114 L117 S118 Q119 N124 M125 Y126	K107-I122 HydrophobicContact CG-CG2 3.83Å; A110-I122 HydrophobicContact CB-CB 4.41Å; A110-I122 HydrophobicContact CB-CG1 4.03Å; A110-I122 HydrophobicContact CB-CG2 4.45Å; M111-I122 HydrophobicContact CG-CD1 4.31Å; M111-I122 HydrophobicContact CG-CG2 3.67Å; V114-I122 HydrophobicContact CG2-CD1 3.77Å; L117-I122 HydrophobicContact CB-CG1 4.46Å; S118-I122 PolarHBondContact O-N 3.35Å; S118-I122 VanDerWaalsContact O-N 3.11Å; Q119-I122 WeakPolarHBondContact O-CB 3.4Å; Q119-I122 PolarHBondContact O-N 3.39Å; Q119-I122 VanDerWaalsContact O-N 3.09Å; I122-N124 VanDerWaalsContact C-N 3.3Å; I122-N124 PolarHBondContact O-N 3.34Å; I122-M125 WeakPolarHBondContact O-CB 3.42Å; I122-M125 PolarHBondContact O-N 2.52Å; I122-M125 VanDerWaalsContact O-N 3.14Å; I122-Y126 PolarHBondContact O-N 2.99Å; I122-Y126 VanDerWaalsContact O-N 3.14Å
123	D	97.8	Very high	95.9	Very high	67 Å²	67	53.5 Å²	53.5	36%	0.358	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-36.8	178.1	-64	-26.6	0	0	0	111.4	Q119 M125 Y126 E127	Q119-D123 PolarHBondContact NE2-OD1 2.87Å; Q119-D123 PolarHBondContact NE2-OD2 3.13Å; Q119-D123 PolarHBondContact O-N 3.39Å; D123-M125 VanDerWaalsContact C-N 3.3Å; D123-M125 PolarHBondContact O-N 2.97Å; D123-Y126 WeakPolarHBondContact O-CB 3.22Å; D123-Y126 PolarHBondContact O-N 2.98Å; D123-Y126 VanDerWaalsContact O-N 3.15Å; D123-E127 PolarHBondContact O-N 3.43Å
124	N	97.5	Very high	96.1	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.112	27%	0.269	C	S	.	.	H	α-helix	trans	-68	-27.7	174.9	-174.2	63	0	0	0	113.1	W120 H121 I122 F128 C223 Q226 F227	W120-N124 VanDerWaalsContact O-CB 3.28Å; W120-N124 WeakPolarHBondContact O-CB 3.43Å; W120-N124 PolarHBondContact O-N 2.74Å; H121-N124 PolarHBondContact O-N 3.03Å; I122-N124 VanDerWaalsContact C-N 3.3Å; I122-N124 PolarHBondContact O-N 3.34Å; N124-F128 WeakPolarHBondContact O-CB 3.47Å; N124-F128 PolarHBondContact O-N 3.13Å; N124-C223 PolarHBondContact ND2-O 2.97Å; N124-C223 VanDerWaalsContact OD1-CA 3.3Å; N124-C223 WeakPolarHBondContact OD1-CA 3.26Å; N124-C223 VanDerWaalsContact OD1-CB 3.32Å; N124-C223 WeakPolarHBondContact OD1-CB 3.46Å; N124-C223 PolarHBondContact OD1-SG 3.28Å; N124-C223 VanDerWaalsContact OD1-SG 3.38Å; N124-Q226 WeakPolarHBondContact ND2-CB 3.47Å; N124-F227 VanDerWaalsContact ND2-CE2 3.32Å; N124-F227 WeakPolarHBondContact ND2-CE2 3.43Å
125	M	97.7	Very high	96.5	Very high	26 Å²	26	47.2 Å²	47.2	13%	0.128	24%	0.243	C	C	.	.	H	α-helix	trans	-71.5	-33.9	169.6	-75.2	-55.1	-58	0	0	112.7	C106 A110 H121 I122 D123 F128 G129 F227	C106-M125 HydrophobicContact CB-CB 4.36Å; C106-M125 HydrophobicContact CB-CE 4Å; C106-M125 WeakPolarHBondContact CB-O 3.36Å; A110-M125 HydrophobicContact CB-CB 3.98Å; A110-M125 HydrophobicContact CB-CG 3.89Å; H121-M125 PolarHBondContact O-N 3.01Å; I122-M125 WeakPolarHBondContact O-CB 3.42Å; I122-M125 PolarHBondContact O-N 2.52Å; I122-M125 VanDerWaalsContact O-N 3.14Å; D123-M125 VanDerWaalsContact C-N 3.3Å; D123-M125 PolarHBondContact O-N 2.97Å; M125-F128 HydrophobicContact CE-CD1 3.78Å; M125-F128 HydrophobicContact CE-CE1 4.32Å; M125-G129 PolarHBondContact O-N 2.75Å; M125-G129 VanDerWaalsContact O-N 3.08Å; M125-F227 HydrophobicContact CG-CE2 4.18Å; M125-F227 HydrophobicContact CG-CZ 3.65Å; M125-F227 HydrophobicContact SD-CD2 4.48Å; M125-F227 HydrophobicContact SD-CE1 4.44Å; M125-F227 HydrophobicContact SD-CE2 3.58Å; M125-F227 VanDerWaalsContact SD-CE2 3.58Å; M125-F227 HydrophobicContact SD-CZ 3.57Å; M125-F227 VanDerWaalsContact SD-CZ 3.57Å
126	Y	98.6	Very high	96.7	Very high	43 Å²	43	44.3 Å²	44.3	17%	0.169	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-51.2	170.5	172.6	-92.6	0	0	0	110.9	Y95 A103 K107 I122 D123 F128 G129 K130	Y95-Y126 WeakPolarHBondContact CE2-OH 3.22Å; Y95-Y126 PolarHBondContact OH-OH 3.44Å; A103-Y126 HydrophobicContact CB-CD2 3.67Å; A103-Y126 HydrophobicContact CB-CE2 3.57Å; A103-Y126 HydrophobicContact CB-CG 4.35Å; K107-Y126 HydrophobicContact CB-CD2 4.36Å; K107-Y126 HydrophobicContact CD-CD2 4.03Å; K107-Y126 HydrophobicContact CD-CG 4.33Å; I122-Y126 PolarHBondContact O-N 2.99Å; I122-Y126 VanDerWaalsContact O-N 3.14Å; D123-Y126 WeakPolarHBondContact O-CB 3.22Å; D123-Y126 PolarHBondContact O-N 2.98Å; D123-Y126 VanDerWaalsContact O-N 3.15Å; Y126-F128 VanDerWaalsContact C-N 3.32Å; Y126-F128 PolarHBondContact O-N 3.26Å; Y126-G129 PolarHBondContact O-N 3.42Å; Y126-G129 VanDerWaalsContact O-N 3.15Å; Y126-K130 HydrophobicContact CE1-CD 3.98Å; Y126-K130 WeakPolarHBondContact O-CB 3.47Å; Y126-K130 PolarHBondContact O-N 2.98Å
127	E	98.5	Very high	96.8	Very high	63 Å²	63	40 Å²	40	29%	0.294	19%	0.189	S	C	.	.	H	α-helix	trans	-62.5	-38.8	179.1	-70.3	-56.8	141.7	0	0	111.9	D123 G129 K130 H131	D123-E127 PolarHBondContact O-N 3.43Å; E127-G129 PolarHBondContact O-N 3.04Å; E127-K130 PolarHBondContact O-N 3.16Å; E127-K130 IonicContact OE1-NZ 3.24Å; E127-K130 IonicContact OE2-NZ 3.91Å; E127-K130 PolarHBondContact OE2-NZ 3.16Å; E127-H131 WeakPolarHBondContact O-CB 3.42Å; E127-H131 PolarHBondContact O-CD2 3.4Å; E127-H131 PolarHBondContact O-N 3.18Å; E127-H131 IonicContact OE2-NE2 3.45Å
128	F	97.8	Very high	97	Very high	3 Å²	3	38 Å²	38	1%	0.013	18%	0.179	C	C	.	.	H	α-helix	trans	-53.5	-54.9	170.5	164.1	-109.9	0	0	0	111.7	N124 M125 Y126 K130 H131 L132 A220 C223 L224 L236	N124-F128 WeakPolarHBondContact O-CB 3.47Å; N124-F128 PolarHBondContact O-N 3.13Å; M125-F128 HydrophobicContact CE-CD1 3.78Å; M125-F128 HydrophobicContact CE-CE1 4.32Å; Y126-F128 VanDerWaalsContact C-N 3.32Å; Y126-F128 PolarHBondContact O-N 3.26Å; F128-K130 VanDerWaalsContact C-N 3.34Å; F128-K130 PolarHBondContact O-N 3.45Å; F128-H131 PolarHBondContact O-N 2.87Å; F128-L132 HydrophobicContact CE1-CD2 4.3Å; F128-L132 HydrophobicContact CE2-CB 4.49Å; F128-L132 HydrophobicContact CE2-CD2 4.32Å; F128-L132 HydrophobicContact CZ-CD2 3.79Å; F128-L132 WeakPolarHBondContact O-CB 3.4Å; F128-L132 PolarHBondContact O-N 2.89Å; F128-A220 HydrophobicContact CD2-CB 3.87Å; F128-A220 WeakPolarHBondContact CD2-O 3.48Å; F128-A220 HydrophobicContact CE2-CB 4.17Å; F128-C223 HydrophobicContact CB-CB 3.71Å; F128-L224 HydrophobicContact CD1-CD2 4.16Å; F128-L224 HydrophobicContact CD2-CD1 3.96Å; F128-L224 HydrophobicContact CD2-CD2 3.75Å; F128-L224 HydrophobicContact CD2-CG 3.55Å; F128-L224 HydrophobicContact CE1-CD2 4.23Å; F128-L224 HydrophobicContact CE2-CD1 3.44Å; F128-L224 VanDerWaalsContact CE2-CD1 3.44Å; F128-L224 HydrophobicContact CE2-CD2 3.85Å; F128-L224 HydrophobicContact CE2-CG 3.59Å; F128-L224 HydrophobicContact CG-CD2 3.91Å; F128-L224 HydrophobicContact CG-CG 4.2Å; F128-L224 HydrophobicContact CZ-CD1 3.96Å; F128-L224 HydrophobicContact CZ-CD2 4.07Å; F128-L224 HydrophobicContact CZ-CG 4.26Å; F128-L236 HydrophobicContact CE1-CD1 4.46Å; F128-L236 HydrophobicContact CE1-CD2 4.28Å; F128-L236 HydrophobicContact CZ-CB 4.26Å; F128-L236 HydrophobicContact CZ-CD2 4.25Å
129	G	97.7	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-37	-176.4	0	0	0	0	0	112.6	I102 M125 Y126 E127 L132 G133	I102-G129 WeakPolarHBondContact CG2-O 3.41Å; M125-G129 PolarHBondContact O-N 2.75Å; M125-G129 VanDerWaalsContact O-N 3.08Å; Y126-G129 PolarHBondContact O-N 3.42Å; Y126-G129 VanDerWaalsContact O-N 3.15Å; E127-G129 PolarHBondContact O-N 3.04Å; G129-L132 PolarHBondContact O-N 3.44Å; G129-G133 PolarHBondContact O-N 3.37Å
130	K	98.6	Very high	96.6	Very high	61 Å²	61	33.3 Å²	33.3	27%	0.265	15%	0.153	S	C	.	.	H	α-helix	trans	-61.1	-53.4	174	173.7	179.8	164	-159.2	0	111	Y95 A103 Y126 E127 F128 L132 G133 M134	Y95-K130 HydrophobicContact CD2-CD 4.41Å; Y95-K130 HydrophobicContact CD2-CG 4.06Å; Y95-K130 HydrophobicContact CE2-CD 4.19Å; Y95-K130 HydrophobicContact CE2-CG 4.07Å; A103-K130 HydrophobicContact CB-CB 3.77Å; Y126-K130 HydrophobicContact CE1-CD 3.98Å; Y126-K130 WeakPolarHBondContact O-CB 3.47Å; Y126-K130 PolarHBondContact O-N 2.98Å; E127-K130 PolarHBondContact O-N 3.16Å; E127-K130 IonicContact OE1-NZ 3.24Å; E127-K130 IonicContact OE2-NZ 3.91Å; E127-K130 PolarHBondContact OE2-NZ 3.16Å; F128-K130 VanDerWaalsContact C-N 3.34Å; F128-K130 PolarHBondContact O-N 3.45Å; K130-L132 VanDerWaalsContact C-N 3.33Å; K130-L132 PolarHBondContact O-N 3.01Å; K130-G133 PolarHBondContact O-N 3.23Å; K130-M134 VanDerWaalsContact O-CG 3.25Å; K130-M134 WeakPolarHBondContact O-CG 3.18Å; K130-M134 PolarHBondContact O-N 3.3Å
131	H	98	Very high	96.5	Very high	30 Å²	30	26.9 Å²	26.9	14%	0.139	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-40.5	179.7	-82.8	-67.3	0	0	0	112.2	E127 F128 G133 M134 A135 H216 A219 A220	E127-H131 WeakPolarHBondContact O-CB 3.42Å; E127-H131 PolarHBondContact O-CD2 3.4Å; E127-H131 PolarHBondContact O-N 3.18Å; E127-H131 IonicContact OE2-NE2 3.45Å; F128-H131 PolarHBondContact O-N 2.87Å; H131-G133 PolarHBondContact O-N 3.11Å; H131-M134 PolarHBondContact O-N 3.06Å; H131-A135 WeakPolarHBondContact O-CB 3.33Å; H131-A135 PolarHBondContact O-N 3.48Å; H131-H216 WeakPolarHBondContact CB-O 3.43Å; H131-H216 AromaticContact CE1-ND1 3.72Å; H131-H216 AromaticContact CG-ND1 3.92Å; H131-H216 AromaticContact ND1-CE1 3.74Å; H131-H216 AromaticContact ND1-CG 3.78Å; H131-H216 AromaticContact ND1-ND1 2.93Å; H131-H216 PolarHBondContact ND1-ND1 2.81Å; H131-A219 HydrophobicContact CB-CB 4.24Å; H131-A219 VanDerWaalsContact CE1-CB 3.48Å; H131-A219 WeakPolarHBondContact CE1-CB 3.32Å; H131-A219 WeakPolarHBondContact ND1-CB 3.3Å; H131-A220 HydrophobicContact CB-CB 3.82Å
132	L	96.7	Very high	96.3	Very high	15 Å²	15	24.7 Å²	24.7	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-60.8	-45.8	174.8	-180	62.4	0	0	0	111.9	I102 F128 G129 K130 A135 F136 A220 A240 F243	I102-L132 HydrophobicContact CG2-CD2 4.34Å; F128-L132 HydrophobicContact CE1-CD2 4.3Å; F128-L132 HydrophobicContact CE2-CB 4.49Å; F128-L132 HydrophobicContact CE2-CD2 4.32Å; F128-L132 HydrophobicContact CZ-CD2 3.79Å; F128-L132 WeakPolarHBondContact O-CB 3.4Å; F128-L132 PolarHBondContact O-N 2.89Å; G129-L132 PolarHBondContact O-N 3.44Å; K130-L132 VanDerWaalsContact C-N 3.33Å; K130-L132 PolarHBondContact O-N 3.01Å; L132-A135 PolarHBondContact O-N 2.93Å; L132-F136 WeakPolarHBondContact O-CB 2.97Å; L132-F136 PolarHBondContact O-N 3.34Å; L132-A220 HydrophobicContact CB-CB 4.39Å; L132-A240 HydrophobicContact CD1-CB 3.79Å; L132-F243 HydrophobicContact CD1-CD2 4.23Å
133	G	96.6	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69	-37	-179.9	0	0	0	0	0	113.9	G129 K130 H131 F136 Q137	G129-G133 PolarHBondContact O-N 3.37Å; K130-G133 PolarHBondContact O-N 3.23Å; H131-G133 PolarHBondContact O-N 3.11Å; G133-F136 PolarHBondContact O-N 3.22Å; G133-Q137 PolarHBondContact O-N 3.24Å; G133-Q137 VanDerWaalsContact O-N 3.13Å
134	M	97.9	Very high	95.4	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.039	11%	0.108	C	C	.	.	H	α-helix	trans	-61.8	-49.4	172.2	-69.4	-62.9	-61.4	0	0	110.7	L91 T94 A99 K130 H131 F136 Q137 L138 H216	L91-M134 HydrophobicContact CB-CE 4.39Å; L91-M134 HydrophobicContact CD2-CE 3.83Å; T94-M134 HydrophobicContact CG2-CE 3.8Å; T94-M134 HydrophobicContact CG2-SD 3.8Å; A99-M134 HydrophobicContact CB-CG 3.91Å; A99-M134 HydrophobicContact CB-SD 3.91Å; K130-M134 VanDerWaalsContact O-CG 3.25Å; K130-M134 WeakPolarHBondContact O-CG 3.18Å; K130-M134 PolarHBondContact O-N 3.3Å; H131-M134 PolarHBondContact O-N 3.06Å; M134-F136 VanDerWaalsContact C-N 3.29Å; M134-F136 PolarHBondContact O-N 2.84Å; M134-Q137 PolarHBondContact O-N 3.01Å; M134-L138 WeakPolarHBondContact O-CB 3.5Å; M134-L138 WeakPolarHBondContact O-CD1 3.4Å; M134-L138 WeakPolarHBondContact O-CG 3.41Å; M134-L138 PolarHBondContact O-N 3.27Å; M134-H216 HydrophobicContact CB-CB 4.31Å; M134-H216 WeakPolarHBondContact CB-ND1 3.38Å
135	A	96.2	Very high	95	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.033	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-41.6	177.6	0	0	0	0	0	111.8	H131 L132 L138 I139 H216 F217	H131-A135 WeakPolarHBondContact O-CB 3.33Å; H131-A135 PolarHBondContact O-N 3.48Å; L132-A135 PolarHBondContact O-N 2.93Å; A135-L138 PolarHBondContact O-N 3.3Å; A135-I139 WeakPolarHBondContact O-CG1 3.38Å; A135-I139 PolarHBondContact O-N 3.49Å; A135-H216 HydrophobicContact CB-CB 3.87Å; A135-F217 HydrophobicContact CB-CB 4.47Å
136	F	93.6	Very high	94.3	Very high	64 Å²	64	24.5 Å²	24.5	28%	0.281	12%	0.119	S	C	.	.	H	α-helix	trans	-57.3	-51.2	177.7	177.5	-90.9	0	0	0	111.9	T98 L132 G133 M134 I139 D140 F243	T98-F136 HydrophobicContact CG2-CD1 3.92Å; L132-F136 WeakPolarHBondContact O-CB 2.97Å; L132-F136 PolarHBondContact O-N 3.34Å; G133-F136 PolarHBondContact O-N 3.22Å; M134-F136 VanDerWaalsContact C-N 3.29Å; M134-F136 PolarHBondContact O-N 2.84Å; F136-I139 PolarHBondContact O-N 2.73Å; F136-D140 PolarHBondContact O-N 3.3Å; F136-F243 AromaticContact CD2-CD1 3.63Å; F136-F243 HydrophobicContact CD2-CD1 3.63Å; F136-F243 AromaticContact CD2-CE1 3.69Å; F136-F243 HydrophobicContact CD2-CE1 3.69Å; F136-F243 HydrophobicContact CD2-CG 4.1Å; F136-F243 HydrophobicContact CD2-CZ 4.19Å; F136-F243 AromaticContact CE2-CD1 3.8Å; F136-F243 HydrophobicContact CE2-CD1 3.8Å; F136-F243 AromaticContact CE2-CE1 3.57Å; F136-F243 HydrophobicContact CE2-CE1 3.57Å; F136-F243 HydrophobicContact CE2-CZ 4.28Å
137	Q	94.7	Very high	93.2	Very high	34 Å²	34	23.7 Å²	23.7	16%	0.159	12%	0.119	C	C	.	.	H	α-helix	trans	-67.8	-39.6	-179.9	-169.7	60.9	52.8	0	0	112	T94 T98 G133 M134 I139 D140 D141	T94-Q137 HydrophobicContact CG2-CB 3.52Å; T94-Q137 HydrophobicContact CG2-CG 3.63Å; T98-Q137 HydrophobicContact CG2-CB 4.2Å; T98-Q137 PolarHBondContact OG1-OE1 2.95Å; G133-Q137 PolarHBondContact O-N 3.24Å; G133-Q137 VanDerWaalsContact O-N 3.13Å; M134-Q137 PolarHBondContact O-N 3.01Å; Q137-I139 VanDerWaalsContact C-N 3.28Å; Q137-I139 PolarHBondContact O-N 3.01Å; Q137-D140 PolarHBondContact NE2-OD2 3.12Å; Q137-D140 WeakPolarHBondContact O-CB 3.42Å; Q137-D140 PolarHBondContact O-N 2.89Å; Q137-D140 VanDerWaalsContact O-N 3.13Å; Q137-D141 PolarHBondContact NE2-OD1 3.14Å; Q137-D141 VanDerWaalsContact O-CG 3.23Å; Q137-D141 PolarHBondContact O-N 3.34Å; Q137-D141 VanDerWaalsContact O-OD1 3.1Å
138	L	95.9	Very high	91.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-36.7	177.5	-71.7	161.5	0	0	0	112.4	Y90 M134 A135 V142 T209 L212 A213	Y90-L138 HydrophobicContact CE1-CD2 4.07Å; Y90-L138 VanDerWaalsContact OH-CD2 3.22Å; Y90-L138 WeakPolarHBondContact OH-CD2 3.46Å; M134-L138 WeakPolarHBondContact O-CB 3.5Å; M134-L138 WeakPolarHBondContact O-CD1 3.4Å; M134-L138 WeakPolarHBondContact O-CG 3.41Å; M134-L138 PolarHBondContact O-N 3.27Å; A135-L138 PolarHBondContact O-N 3.3Å; L138-V142 WeakPolarHBondContact O-CG2 3.27Å; L138-V142 PolarHBondContact O-N 3.09Å; L138-V142 VanDerWaalsContact O-N 3.09Å; L138-T209 HydrophobicContact CB-CG2 4.39Å; L138-T209 HydrophobicContact CD2-CG2 3.92Å; L138-L212 HydrophobicContact CD1-CB 4.45Å; L138-L212 HydrophobicContact CD1-CD2 4.23Å; L138-L212 HydrophobicContact CD1-CG 3.84Å; L138-L212 HydrophobicContact CD2-CD2 3.96Å; L138-L212 HydrophobicContact CD2-CG 4.34Å; L138-A213 HydrophobicContact CB-CB 3.67Å; L138-A213 HydrophobicContact CD1-CB 4.35Å
139	I	93.6	Very high	89.7	Confident	10 Å²	10	32.1 Å²	32.1	5%	0.051	16%	0.162	C	C	.	.	H	α-helix	trans	-71.1	-39.3	173.7	-67	-60.3	0	0	0	111.2	A135 F136 Q137 D141 V142 L143 A213 L244	A135-I139 WeakPolarHBondContact O-CG1 3.38Å; A135-I139 PolarHBondContact O-N 3.49Å; F136-I139 PolarHBondContact O-N 2.73Å; Q137-I139 VanDerWaalsContact C-N 3.28Å; Q137-I139 PolarHBondContact O-N 3.01Å; I139-D141 VanDerWaalsContact C-N 3.32Å; I139-D141 PolarHBondContact O-N 3.23Å; I139-V142 WeakPolarHBondContact O-CB 3.32Å; I139-V142 PolarHBondContact O-N 2.77Å; I139-V142 VanDerWaalsContact O-N 3.13Å; I139-L143 HydrophobicContact CG2-CD1 4.08Å; I139-L143 HydrophobicContact CG2-CG 4.3Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.32Å; I139-L143 PolarHBondContact O-N 3.35Å; I139-A213 HydrophobicContact CD1-CB 3.61Å; I139-A213 HydrophobicContact CG1-CB 3.86Å; I139-L244 HydrophobicContact CD1-CD2 4.09Å; I139-L244 HydrophobicContact CG1-CD2 4.16Å
140	D	91.1	Very high	87.6	Confident	60 Å²	60	36.7 Å²	36.7	32%	0.321	20%	0.2	S	C	.	.	H	α-helix	trans	-58.7	-45.6	174.5	-165.3	62.5	0	0	0	111.1	F136 Q137 V142 L143 D144	F136-D140 PolarHBondContact O-N 3.3Å; Q137-D140 PolarHBondContact NE2-OD2 3.12Å; Q137-D140 WeakPolarHBondContact O-CB 3.42Å; Q137-D140 PolarHBondContact O-N 2.89Å; Q137-D140 VanDerWaalsContact O-N 3.13Å; D140-V142 VanDerWaalsContact C-N 3.29Å; D140-V142 PolarHBondContact O-N 3.13Å; D140-L143 WeakPolarHBondContact O-CB 3.26Å; D140-L143 PolarHBondContact O-N 3.3Å; D140-L143 VanDerWaalsContact O-N 3.11Å; D140-D144 PolarHBondContact O-N 3.38Å; D140-D144 VanDerWaalsContact O-N 3.16Å
141	D	93.5	Very high	85.6	Confident	5 Å²	5	40 Å²	40	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-34.6	174.8	-65.1	5.1	0	0	0	111.9	Y90 Q137 I139 F145 T166	Y90-D141 WeakPolarHBondContact CE2-OD2 3.39Å; Y90-D141 VanDerWaalsContact CZ-OD2 3.25Å; Y90-D141 PolarHBondContact OH-OD2 3.4Å; Q137-D141 PolarHBondContact NE2-OD1 3.14Å; Q137-D141 VanDerWaalsContact O-CG 3.23Å; Q137-D141 PolarHBondContact O-N 3.34Å; Q137-D141 VanDerWaalsContact O-OD1 3.1Å; I139-D141 VanDerWaalsContact C-N 3.32Å; I139-D141 PolarHBondContact O-N 3.23Å; D141-F145 VanDerWaalsContact O-CD2 3.22Å; D141-F145 WeakPolarHBondContact O-CD2 3.49Å; D141-T166 HydrophobicContact CB-CG2 4.46Å
142	V	92.4	Very high	83.6	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-67.7	-43.3	172.9	161.9	0	0	0	0	111.1	L138 I139 D140 D144 F145 V146 V206 T209 R210	L138-V142 WeakPolarHBondContact O-CG2 3.27Å; L138-V142 PolarHBondContact O-N 3.09Å; L138-V142 VanDerWaalsContact O-N 3.09Å; I139-V142 WeakPolarHBondContact O-CB 3.32Å; I139-V142 PolarHBondContact O-N 2.77Å; I139-V142 VanDerWaalsContact O-N 3.13Å; D140-V142 VanDerWaalsContact C-N 3.29Å; D140-V142 PolarHBondContact O-N 3.13Å; V142-D144 PolarHBondContact O-N 2.86Å; V142-F145 PolarHBondContact O-N 2.79Å; V142-V146 HydrophobicContact CG1-CG1 4.22Å; V142-V146 HydrophobicContact CG1-CG2 4.16Å; V142-V146 WeakPolarHBondContact O-CG2 3.4Å; V142-V146 PolarHBondContact O-N 3.24Å; V142-V206 HydrophobicContact CG1-CG1 4.07Å; V142-T209 HydrophobicContact CG2-CG2 3.65Å; V142-R210 HydrophobicContact CG2-CB 4.41Å
143	L	89.5	Confident	81.7	Confident	28 Å²	28	43.6 Å²	43.6	15%	0.147	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-33	-178	-74.6	170.9	0	0	0	112.1	I139 D140 F145 V146 T147 L152 R246	I139-L143 HydrophobicContact CG2-CD1 4.08Å; I139-L143 HydrophobicContact CG2-CG 4.3Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.32Å; I139-L143 PolarHBondContact O-N 3.35Å; D140-L143 WeakPolarHBondContact O-CB 3.26Å; D140-L143 PolarHBondContact O-N 3.3Å; D140-L143 VanDerWaalsContact O-N 3.11Å; L143-F145 PolarHBondContact O-N 2.96Å; L143-V146 HydrophobicContact CD2-CG2 4.35Å; L143-V146 PolarHBondContact O-N 3.23Å; L143-T147 VanDerWaalsContact CD2-OG1 3.28Å; L143-T147 WeakPolarHBondContact CD2-OG1 3.33Å; L143-T147 VanDerWaalsContact O-CB 3.26Å; L143-T147 WeakPolarHBondContact O-CB 3.43Å; L143-T147 PolarHBondContact O-N 3.34Å; L143-T147 VanDerWaalsContact O-N 3.16Å; L143-T147 PolarHBondContact O-OG1 3.36Å; L143-L152 HydrophobicContact CB-CD2 4.48Å; L143-R246 HydrophobicContact CD1-CB 4.1Å
144	D	87.5	Confident	80.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-23.6	175.6	-161.3	59.2	0	0	0	113.3	D140 V142 K154 T156 G157 A158 D159	D140-D144 PolarHBondContact O-N 3.38Å; D140-D144 VanDerWaalsContact O-N 3.16Å; V142-D144 PolarHBondContact O-N 2.86Å; D144-K154 WeakPolarHBondContact OD1-CE 3.46Å; D144-K154 IonicContact OD1-NZ 3.68Å; D144-K154 PolarHBondContact OD1-NZ 2.95Å; D144-T156 WeakPolarHBondContact O-CG2 3.41Å; D144-G157 PolarHBondContact O-N 3.42Å; D144-G157 WeakPolarHBondContact OD2-CA 3.34Å; D144-A158 PolarHBondContact OD1-N 3.04Å; D144-A158 PolarHBondContact OD2-N 3.28Å; D144-D159 PolarHBondContact OD2-N 3.48Å
145	F	87.9	Confident	78.5	Confident	22 Å²	22	48.8 Å²	48.8	10%	0.096	29%	0.287	C	S	.	.	H	α-helix	trans	-105.8	-24.9	-178.3	-70.2	-97.8	0	0	0	114.6	D141 V142 L143 L160 T166 P168 V169 L197 V200 V206	D141-F145 VanDerWaalsContact O-CD2 3.22Å; D141-F145 WeakPolarHBondContact O-CD2 3.49Å; V142-F145 PolarHBondContact O-N 2.79Å; L143-F145 PolarHBondContact O-N 2.96Å; F145-L160 HydrophobicContact CE1-CD1 4.01Å; F145-L160 HydrophobicContact CE1-CG 4.42Å; F145-L160 HydrophobicContact CZ-CD1 4.26Å; F145-L160 HydrophobicContact CZ-CD2 4.38Å; F145-L160 HydrophobicContact CZ-CG 4.16Å; F145-T166 WeakPolarHBondContact CE2-OG1 3.29Å; F145-P168 HydrophobicContact CD1-CB 4.37Å; F145-P168 HydrophobicContact CD2-CB 3.87Å; F145-P168 HydrophobicContact CD2-CG 3.68Å; F145-P168 HydrophobicContact CE1-CB 4.42Å; F145-P168 HydrophobicContact CE2-CB 3.94Å; F145-P168 HydrophobicContact CE2-CG 3.88Å; F145-P168 HydrophobicContact CG-CB 4.1Å; F145-P168 HydrophobicContact CG-CG 4.29Å; F145-P168 HydrophobicContact CZ-CB 4.23Å; F145-V169 HydrophobicContact CE1-CG2 3.97Å; F145-V169 HydrophobicContact CE2-CG2 4.45Å; F145-V169 HydrophobicContact CZ-CG2 3.47Å; F145-V169 VanDerWaalsContact CZ-CG2 3.47Å; F145-L197 HydrophobicContact CD1-CD2 3.9Å; F145-L197 HydrophobicContact CE1-CD2 3.89Å; F145-V200 HydrophobicContact CD1-CB 4.26Å; F145-V200 HydrophobicContact CD1-CG1 3.75Å; F145-V200 HydrophobicContact CD1-CG2 4.43Å; F145-V200 HydrophobicContact CE1-CB 4.29Å; F145-V200 HydrophobicContact CE1-CG1 4.1Å; F145-V200 HydrophobicContact CE1-CG2 3.98Å; F145-V200 HydrophobicContact CG-CG1 4.46Å; F145-V206 HydrophobicContact CB-CG2 4.05Å
146	V	84.1	Confident	77.4	Confident	64 Å²	64	50.4 Å²	50.4	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-104.3	-18.5	-172.5	-57.3	0	0	0	0	114.3	V142 L143 V206	V142-V146 HydrophobicContact CG1-CG1 4.22Å; V142-V146 HydrophobicContact CG1-CG2 4.16Å; V142-V146 WeakPolarHBondContact O-CG2 3.4Å; V142-V146 PolarHBondContact O-N 3.24Å; L143-V146 HydrophobicContact CD2-CG2 4.35Å; L143-V146 PolarHBondContact O-N 3.23Å; V146-V206 HydrophobicContact CG1-CG1 3.53Å; V146-V206 HydrophobicContact CG1-CG2 4.42Å
147	T	74.6	Confident	76.6	Confident	25 Å²	25	47.3 Å²	47.3	15%	0.153	28%	0.283	C	S	.	.	S	Bend	trans	-96.4	137.7	-171.6	-49	0	0	0	0	109.9	L143 N151 L152 T156	L143-T147 VanDerWaalsContact CD2-OG1 3.28Å; L143-T147 WeakPolarHBondContact CD2-OG1 3.33Å; L143-T147 VanDerWaalsContact O-CB 3.26Å; L143-T147 WeakPolarHBondContact O-CB 3.43Å; L143-T147 PolarHBondContact O-N 3.34Å; L143-T147 VanDerWaalsContact O-N 3.16Å; L143-T147 PolarHBondContact O-OG1 3.36Å; T147-N151 HydrophobicContact CG2-CB 3.42Å; T147-N151 VanDerWaalsContact CG2-CB 3.42Å; T147-L152 HydrophobicContact CG2-CD1 4.2Å; T147-L152 HydrophobicContact CG2-CG 3.82Å; T147-L152 WeakPolarHBondContact O-CD1 3.38Å; T147-T156 PolarHBondContact O-OG1 2.77Å; T147-T156 VanDerWaalsContact O-OG1 3.14Å
148	D	64.9	Low	75.7	Confident	119 Å²	119	46 Å²	46	64%	0.636	28%	0.278	S	S	*	.			trans	-62.1	144.9	172.3	-64.1	-37.9	0	0	0	110.7	A150 N151 L152	D148-A150 PolarHBondContact O-N 2.98Å; D148-N151 PolarHBondContact O-N 3.31Å; D148-L152 PolarHBondContact O-N 3.46Å
149	E	58.1	Low	75.2	Confident	124 Å²	124	46.9 Å²	46.9	58%	0.579	28%	0.282	S	S	*	.	H	α-helix	trans	-48.8	-36.8	-179	-60.3	-173.3	157.1	0	0	113.2	N151 L152 G153	E149-N151 PolarHBondContact O-N 3.26Å; E149-L152 PolarHBondContact O-N 3.2Å; E149-G153 PolarHBondContact O-N 2.89Å
150	A	53.5	Low	74.7	Confident	96 Å²	96	46.4 Å²	46.4	79%	0.793	28%	0.28	S	S	*	.	H	α-helix	trans	-60.6	-29.9	179.4	0	0	0	0	0	113.7	D148	D148-A150 PolarHBondContact O-N 2.98Å
151	N	56.8	Low	74.1	Confident	130 Å²	130	49.5 Å²	49.5	70%	0.695	29%	0.293	S	S	*	.	H	α-helix	trans	-96.1	-25.8	-176.9	-72.7	-35.5	0	0	0	112.9	T147 D148 E149	T147-N151 HydrophobicContact CG2-CB 3.42Å; T147-N151 VanDerWaalsContact CG2-CB 3.42Å; D148-N151 PolarHBondContact O-N 3.31Å; E149-N151 PolarHBondContact O-N 3.26Å
152	L	57	Low	73.5	Confident	43 Å²	43	54.5 Å²	54.5	23%	0.225	32%	0.317	C	S	.	.	H	α-helix	trans	-76.7	-34	177.8	-87.6	152.6	0	0	0	113	L143 T147 D148 E149 K154	L143-L152 HydrophobicContact CB-CD2 4.48Å; T147-L152 HydrophobicContact CG2-CD1 4.2Å; T147-L152 HydrophobicContact CG2-CG 3.82Å; T147-L152 WeakPolarHBondContact O-CD1 3.38Å; D148-L152 PolarHBondContact O-N 3.46Å; E149-L152 PolarHBondContact O-N 3.2Å; L152-K154 HydrophobicContact CB-CG 4.07Å; L152-K154 WeakPolarHBondContact CB-O 3.37Å; L152-K154 HydrophobicContact CD2-CG 4.27Å; L152-K154 PolarHBondContact O-N 3.02Å
153	G	56.7	Low	72.9	Confident	79 Å²	79	55.2 Å²	55.2	81%	0.814	33%	0.325	S	S	*	.	S	Bend	trans	70.4	6	-167.2	0	0	0	0	0	113.9	E149	E149-G153 PolarHBondContact O-N 2.89Å
154	K	63.9	Low	72.7	Confident	62 Å²	62	55.2 Å²	55.2	27%	0.27	33%	0.325	S	S	.	.	S	Bend	trans	-136.7	156.2	169.1	63.3	175.9	-173.5	156.7	0	108.9	D144 L152 A158 D159	D144-K154 WeakPolarHBondContact OD1-CE 3.46Å; D144-K154 IonicContact OD1-NZ 3.68Å; D144-K154 PolarHBondContact OD1-NZ 2.95Å; L152-K154 HydrophobicContact CB-CG 4.07Å; L152-K154 WeakPolarHBondContact CB-O 3.37Å; L152-K154 HydrophobicContact CD2-CG 4.27Å; L152-K154 PolarHBondContact O-N 3.02Å; K154-A158 HydrophobicContact CB-CB 4.28Å; K154-A158 HydrophobicContact CD-CB 3.77Å; K154-A158 HydrophobicContact CG-CB 4.15Å; K154-D159 IonicContact NZ-OD1 2.88Å; K154-D159 PolarHBondContact NZ-OD1 2.51Å
155	P	62.5	Low	72.8	Confident	54 Å²	54	55.7 Å²	55.7	35%	0.351	33%	0.328	S	S	.	.			trans	-55.3	149	174.5	-22.8	33.3	0	0	0	111.6	G157 A158	P155-G157 PolarHBondContact O-N 3.08Å; P155-A158 WeakPolarHBondContact O-CB 3.46Å; P155-A158 PolarHBondContact O-N 2.84Å
156	T	73	Confident	73.1	Confident	38 Å²	38	54.9 Å²	54.9	23%	0.233	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	133.4	170.7	-56.9	0	0	0	0	109	D144 T147 A158	D144-T156 WeakPolarHBondContact O-CG2 3.41Å; T147-T156 PolarHBondContact O-OG1 2.77Å; T147-T156 VanDerWaalsContact O-OG1 3.14Å; T156-A158 VanDerWaalsContact C-N 3.34Å
157	G	76.8	Confident	73.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	27.6	-175.2	0	0	0	0	0	113.4	D144 P155 D159 L160 Q161	D144-G157 PolarHBondContact O-N 3.42Å; D144-G157 WeakPolarHBondContact OD2-CA 3.34Å; P155-G157 PolarHBondContact O-N 3.08Å; G157-D159 PolarHBondContact O-N 2.81Å; G157-L160 WeakPolarHBondContact O-CB 3.45Å; G157-L160 PolarHBondContact O-N 3.37Å; G157-Q161 PolarHBondContact O-N 2.89Å
158	A	77.4	Confident	74.8	Confident	6 Å²	6	50.6 Å²	50.6	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-57.2	-31.5	176.8	0	0	0	0	0	111.8	D144 K154 P155 T156 L160 Q161 M162	D144-A158 PolarHBondContact OD1-N 3.04Å; D144-A158 PolarHBondContact OD2-N 3.28Å; K154-A158 HydrophobicContact CB-CB 4.28Å; K154-A158 HydrophobicContact CD-CB 3.77Å; K154-A158 HydrophobicContact CG-CB 4.15Å; P155-A158 WeakPolarHBondContact O-CB 3.46Å; P155-A158 PolarHBondContact O-N 2.84Å; T156-A158 VanDerWaalsContact C-N 3.34Å; A158-L160 VanDerWaalsContact C-N 3.3Å; A158-L160 PolarHBondContact O-N 3.09Å; A158-Q161 WeakPolarHBondContact O-CB 3.22Å; A158-Q161 PolarHBondContact O-N 3.41Å; A158-M162 WeakPolarHBondContact O-CG 3.17Å; A158-M162 PolarHBondContact O-N 2.75Å; A158-M162 VanDerWaalsContact O-N 3.16Å
159	D	83.8	Confident	76.2	Confident	18 Å²	18	45 Å²	45	10%	0.096	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-37.5	177.8	-62.7	-7.6	0	0	0	110.8	D144 K154 G157 M162 G163 L164 T166	D144-D159 PolarHBondContact OD2-N 3.48Å; K154-D159 IonicContact NZ-OD1 2.88Å; K154-D159 PolarHBondContact NZ-OD1 2.51Å; G157-D159 PolarHBondContact O-N 2.81Å; D159-M162 CarbonylContact O-C 3.5Å; D159-M162 PolarHBondContact O-N 3.45Å; D159-G163 PolarHBondContact O-N 3.44Å; D159-L164 HydrophobicContact CB-CB 4.28Å; D159-L164 WeakPolarHBondContact O-CA 3.4Å; D159-L164 VanDerWaalsContact O-CB 3.28Å; D159-L164 WeakPolarHBondContact O-CB 3.36Å; D159-L164 PolarHBondContact O-N 3Å; D159-T166 HydrophobicContact CB-CG2 4.13Å
160	L	84.4	Confident	78.1	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-40.7	174.8	-63.8	-179.3	0	0	0	112	F145 G157 A158 M162 G163 V169 F187 T193 A196 L197	F145-L160 HydrophobicContact CE1-CD1 4.01Å; F145-L160 HydrophobicContact CE1-CG 4.42Å; F145-L160 HydrophobicContact CZ-CD1 4.26Å; F145-L160 HydrophobicContact CZ-CD2 4.38Å; F145-L160 HydrophobicContact CZ-CG 4.16Å; G157-L160 WeakPolarHBondContact O-CB 3.45Å; G157-L160 PolarHBondContact O-N 3.37Å; A158-L160 VanDerWaalsContact C-N 3.3Å; A158-L160 PolarHBondContact O-N 3.09Å; L160-M162 PolarHBondContact O-N 3.36Å; L160-G163 WeakPolarHBondContact O-CA 3.5Å; L160-G163 PolarHBondContact O-N 3.18Å; L160-V169 HydrophobicContact CD2-CG2 3.55Å; L160-F187 HydrophobicContact CD2-CD1 4.18Å; L160-F187 HydrophobicContact CD2-CE1 3.52Å; L160-F187 HydrophobicContact CD2-CE2 4Å; L160-F187 HydrophobicContact CD2-CZ 3.41Å; L160-F187 VanDerWaalsContact CD2-CZ 3.41Å; L160-T193 HydrophobicContact CB-CG2 3.83Å; L160-T193 HydrophobicContact CD1-CG2 4.17Å; L160-A196 HydrophobicContact CD1-CB 4.17Å; L160-L197 HydrophobicContact CD1-CD2 3.66Å; L160-L197 HydrophobicContact CD1-CG 3.66Å
161	Q	78.9	Confident	80.2	Confident	124 Å²	124	36.3 Å²	36.3	58%	0.579	21%	0.212	S	C	*	.	H	α-helix	trans	-63.3	-26.2	176.3	-63.9	179	-15.3	0	0	112.2	G157 A158 G163 T193	G157-Q161 PolarHBondContact O-N 2.89Å; A158-Q161 WeakPolarHBondContact O-CB 3.22Å; A158-Q161 PolarHBondContact O-N 3.41Å; Q161-G163 VanDerWaalsContact C-N 3.28Å; Q161-T193 HydrophobicContact CG-CG2 4.39Å
162	M	79.3	Confident	82.1	Confident	111 Å²	111	30.1 Å²	30.1	55%	0.547	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	6.1	173	-66	177.2	179.8	0	0	113.1	A158 D159 L160 L164	A158-M162 WeakPolarHBondContact O-CG 3.17Å; A158-M162 PolarHBondContact O-N 2.75Å; A158-M162 VanDerWaalsContact O-N 3.16Å; D159-M162 CarbonylContact O-C 3.5Å; D159-M162 PolarHBondContact O-N 3.45Å; L160-M162 PolarHBondContact O-N 3.36Å; M162-L164 VanDerWaalsContact C-N 3.29Å; M162-L164 HydrophobicContact CB-CD1 4.11Å; M162-L164 HydrophobicContact CB-CG 3.99Å; M162-L164 PolarHBondContact O-N 3.42Å
163	G	81.3	Confident	83.9	Confident	16 Å²	16	28.3 Å²	28.3	17%	0.165	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	10.8	-179.1	0	0	0	0	0	114.2	D159 L160 Q161	D159-G163 PolarHBondContact O-N 3.44Å; L160-G163 WeakPolarHBondContact O-CA 3.5Å; L160-G163 PolarHBondContact O-N 3.18Å; Q161-G163 VanDerWaalsContact C-N 3.28Å
164	L	85	Confident	85.7	Confident	28 Å²	28	29.7 Å²	29.7	15%	0.147	16%	0.156	C	C	.	.			trans	-93.2	128.8	-171	-54.2	177.9	0	0	0	112.1	Q75 D159 M162	Q75-L164 HydrophobicContact CG-CD2 3.63Å; D159-L164 HydrophobicContact CB-CB 4.28Å; D159-L164 WeakPolarHBondContact O-CA 3.4Å; D159-L164 VanDerWaalsContact O-CB 3.28Å; D159-L164 WeakPolarHBondContact O-CB 3.36Å; D159-L164 PolarHBondContact O-N 3Å; M162-L164 VanDerWaalsContact C-N 3.29Å; M162-L164 HydrophobicContact CB-CD1 4.11Å; M162-L164 HydrophobicContact CB-CG 3.99Å; M162-L164 PolarHBondContact O-N 3.42Å
165	A	90.1	Very high	87.2	Confident	9 Å²	9	34.2 Å²	34.2	7%	0.074	17%	0.171	C	C	.	.			trans	-93.6	107.5	171.4	0	0	0	0	0	110.7	L170 L183	A165-L170 HydrophobicContact CB-CD2 3.89Å; A165-L170 HydrophobicContact CB-CG 4.31Å; A165-L183 HydrophobicContact CB-CD2 3.24Å
166	T	94.2	Very high	88.8	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.031	16%	0.163	C	C	.	.			trans	-101.8	175.9	176.6	57.9	0	0	0	0	111.8	D141 F145 D159 V169 L170	D141-T166 HydrophobicContact CB-CG2 4.46Å; F145-T166 WeakPolarHBondContact CE2-OG1 3.29Å; D159-T166 HydrophobicContact CB-CG2 4.13Å; T166-V169 PolarHBondContact O-N 2.87Å; T166-L170 WeakPolarHBondContact O-CG 3.5Å; T166-L170 PolarHBondContact O-N 3.16Å
167	G	96.5	Very high	89.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-42	-52.9	-175.9	0	0	0	0	0	114.4	Y90 V169 L170 F171 T209	Y90-G167 VanDerWaalsContact CZ-N 3.31Å; Y90-G167 PolarHBondContact OH-N 2.89Å; G167-V169 VanDerWaalsContact C-N 3.28Å; G167-V169 PolarHBondContact O-N 2.91Å; G167-L170 PolarHBondContact O-N 3.17Å; G167-F171 VanDerWaalsContact O-CD2 3.25Å; G167-F171 WeakPolarHBondContact O-CD2 3.22Å; G167-F171 PolarHBondContact O-N 2.85Å; G167-T209 PolarHBondContact O-OG1 3.34Å
168	P	96.1	Very high	90.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.8	-37.6	-176.7	-28.7	38.1	0	0	0	113.8	F145 A172 V200 G205 V206 T209	F145-P168 HydrophobicContact CD1-CB 4.37Å; F145-P168 HydrophobicContact CD2-CB 3.87Å; F145-P168 HydrophobicContact CD2-CG 3.68Å; F145-P168 HydrophobicContact CE1-CB 4.42Å; F145-P168 HydrophobicContact CE2-CB 3.94Å; F145-P168 HydrophobicContact CE2-CG 3.88Å; F145-P168 HydrophobicContact CG-CB 4.1Å; F145-P168 HydrophobicContact CG-CG 4.29Å; F145-P168 HydrophobicContact CZ-CB 4.23Å; P168-A172 VanDerWaalsContact O-CB 3.27Å; P168-A172 WeakPolarHBondContact O-CB 3.35Å; P168-A172 PolarHBondContact O-N 2.79Å; P168-A172 VanDerWaalsContact O-N 3.07Å; P168-V200 HydrophobicContact CB-CG1 3.9Å; P168-G205 WeakPolarHBondContact O-CA 3.27Å; P168-V206 HydrophobicContact CB-CG2 4.06Å; P168-V206 HydrophobicContact CG-CG2 4.46Å; P168-T209 WeakPolarHBondContact CA-OG1 3.29Å; P168-T209 WeakPolarHBondContact CD-OG1 3.49Å; P168-T209 HydrophobicContact CG-CG2 4.38Å
169	V	96	Very high	91.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-74.8	-42.1	179.5	-169	0	0	0	0	111.1	F145 L160 T166 G167 A172 A173 L179 L183 F187 V200	F145-V169 HydrophobicContact CE1-CG2 3.97Å; F145-V169 HydrophobicContact CE2-CG2 4.45Å; F145-V169 HydrophobicContact CZ-CG2 3.47Å; F145-V169 VanDerWaalsContact CZ-CG2 3.47Å; L160-V169 HydrophobicContact CD2-CG2 3.55Å; T166-V169 PolarHBondContact O-N 2.87Å; G167-V169 VanDerWaalsContact C-N 3.28Å; G167-V169 PolarHBondContact O-N 2.91Å; V169-A172 WeakPolarHBondContact O-CB 3.48Å; V169-A172 PolarHBondContact O-N 3.39Å; V169-A173 WeakPolarHBondContact O-CB 3.46Å; V169-A173 PolarHBondContact O-N 3.38Å; V169-L179 HydrophobicContact CG1-CD2 4.36Å; V169-L183 HydrophobicContact CG1-CD1 4.44Å; V169-L183 HydrophobicContact CG1-CD2 3.9Å; V169-L183 HydrophobicContact CG1-CG 4.48Å; V169-F187 HydrophobicContact CG1-CE1 4.47Å; V169-F187 HydrophobicContact CG1-CZ 4.14Å; V169-V200 HydrophobicContact CB-CG2 4.4Å; V169-V200 HydrophobicContact CG2-CG2 4.11Å
170	L	96.6	Very high	91.9	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-40.7	-178.9	-64.7	174.8	0	0	0	111.7	R86 F87 Y90 A165 T166 G167 A173 L183	R86-L170 HydrophobicContact CB-CD2 4.46Å; R86-L170 VanDerWaalsContact CD-CD2 3.43Å; R86-L170 HydrophobicContact CG-CD2 3.65Å; F87-L170 HydrophobicContact CD2-CB 4Å; F87-L170 HydrophobicContact CD2-CD1 4.23Å; F87-L170 HydrophobicContact CE2-CB 4.4Å; Y90-L170 HydrophobicContact CD1-CD1 3.8Å; Y90-L170 HydrophobicContact CD2-CD1 4.09Å; Y90-L170 HydrophobicContact CG-CD1 3.47Å; Y90-L170 VanDerWaalsContact CG-CD1 3.47Å; A165-L170 HydrophobicContact CB-CD2 3.89Å; A165-L170 HydrophobicContact CB-CG 4.31Å; T166-L170 WeakPolarHBondContact O-CG 3.5Å; T166-L170 PolarHBondContact O-N 3.16Å; G167-L170 PolarHBondContact O-N 3.17Å; L170-A173 PolarHBondContact O-N 3.26Å; L170-L183 HydrophobicContact CD2-CD1 4.4Å
171	F	97.2	Very high	92.4	Very high	29 Å²	29	43.1 Å²	43.1	13%	0.127	22%	0.22	C	C	.	.	H	α-helix	trans	-69.4	-35.6	172.5	-77.1	-60.6	0	0	0	112.4	F87 G167 A173 Q174 Q208 T209 L212	F87-F171 HydrophobicContact CE1-CZ 4.48Å; F87-F171 HydrophobicContact CE2-CD1 4.24Å; F87-F171 HydrophobicContact CE2-CD2 4.17Å; F87-F171 AromaticContact CE2-CE1 3.84Å; F87-F171 HydrophobicContact CE2-CE1 3.84Å; F87-F171 AromaticContact CE2-CE2 3.74Å; F87-F171 HydrophobicContact CE2-CE2 3.74Å; F87-F171 HydrophobicContact CE2-CG 4.42Å; F87-F171 AromaticContact CE2-CZ 3.59Å; F87-F171 HydrophobicContact CE2-CZ 3.59Å; F87-F171 AromaticContact CZ-CE1 3.87Å; F87-F171 HydrophobicContact CZ-CE1 3.87Å; F87-F171 AromaticContact CZ-CE2 3.78Å; F87-F171 HydrophobicContact CZ-CE2 3.78Å; F87-F171 AromaticContact CZ-CZ 3.35Å; F87-F171 HydrophobicContact CZ-CZ 3.35Å; G167-F171 VanDerWaalsContact O-CD2 3.25Å; G167-F171 WeakPolarHBondContact O-CD2 3.22Å; G167-F171 PolarHBondContact O-N 2.85Å; F171-A173 VanDerWaalsContact C-N 3.29Å; F171-A173 PolarHBondContact O-N 3.42Å; F171-Q174 PolarHBondContact O-N 3.49Å; F171-Q208 HydrophobicContact CB-CB 4.03Å; F171-Q208 HydrophobicContact CD1-CB 3.83Å; F171-Q208 HydrophobicContact CD2-CB 3.79Å; F171-Q208 HydrophobicContact CE1-CB 4.12Å; F171-Q208 HydrophobicContact CE2-CB 4.1Å; F171-Q208 HydrophobicContact CG-CB 3.63Å; F171-Q208 HydrophobicContact CZ-CB 4.23Å; F171-T209 WeakPolarHBondContact CD2-OG1 3.22Å; F171-L212 HydrophobicContact CE2-CD2 4.34Å; F171-L212 HydrophobicContact CZ-CD2 4.21Å
172	A	96.7	Very high	93.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-37.1	173.3	0	0	0	0	0	112.2	P168 V169 Q174 R175 Y176 L179 V200 S203	P168-A172 VanDerWaalsContact O-CB 3.27Å; P168-A172 WeakPolarHBondContact O-CB 3.35Å; P168-A172 PolarHBondContact O-N 2.79Å; P168-A172 VanDerWaalsContact O-N 3.07Å; V169-A172 WeakPolarHBondContact O-CB 3.48Å; V169-A172 PolarHBondContact O-N 3.39Å; A172-Q174 VanDerWaalsContact C-N 3.26Å; A172-Q174 PolarHBondContact O-N 2.83Å; A172-R175 PolarHBondContact O-N 2.94Å; A172-Y176 PolarHBondContact O-N 3.23Å; A172-L179 HydrophobicContact CB-CD1 3.54Å; A172-V200 HydrophobicContact CB-CB 4.48Å; A172-V200 HydrophobicContact CB-CG2 3.9Å; A172-S203 VanDerWaalsContact CB-OG 3.27Å; A172-S203 WeakPolarHBondContact CB-OG 3.3Å
173	A	96	Very high	93.8	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-30.3	-179.7	0	0	0	0	0	113.3	V169 L170 F171 R175 Y176 L179 L183	V169-A173 WeakPolarHBondContact O-CB 3.46Å; V169-A173 PolarHBondContact O-N 3.38Å; L170-A173 PolarHBondContact O-N 3.26Å; F171-A173 VanDerWaalsContact C-N 3.29Å; F171-A173 PolarHBondContact O-N 3.42Å; A173-R175 PolarHBondContact O-N 3.44Å; A173-Y176 CarbonylContact O-C 3.33Å; A173-Y176 PolarHBondContact O-N 2.88Å; A173-L179 HydrophobicContact CB-CB 3.75Å; A173-L179 HydrophobicContact CB-CD1 4.19Å; A173-L183 HydrophobicContact CB-CD1 3.74Å
174	Q	94.5	Very high	94.3	Very high	109 Å²	109	35 Å²	35	51%	0.509	18%	0.178	S	C	.	.	H	α-helix	trans	-62.4	-30	173.3	-63.1	179	0.5	0	0	112.5	F171 A172	F171-Q174 PolarHBondContact O-N 3.49Å; A172-Q174 VanDerWaalsContact C-N 3.26Å; A172-Q174 PolarHBondContact O-N 2.83Å
175	R	94.6	Very high	94.7	Very high	156 Å²	156	37.7 Å²	37.7	59%	0.589	19%	0.187	S	C	*	.	H	α-helix	trans	-92.3	-33.1	178.1	-177	171.8	177	163.1	-2.2	112.7	A172 A173 P177	A172-R175 PolarHBondContact O-N 2.94Å; A173-R175 PolarHBondContact O-N 3.44Å; R175-P177 WeakPolarHBondContact O-CD 3.27Å
176	Y	96.3	Very high	94.7	Very high	47 Å²	47	41.3 Å²	41.3	18%	0.184	20%	0.202	C	C	.	.			trans	-122.9	86.2	-176.5	-62.2	-77.3	0	0	0	110	A172 A173 E178 L179 L199 Q202	A172-Y176 PolarHBondContact O-N 3.23Å; A173-Y176 CarbonylContact O-C 3.33Å; A173-Y176 PolarHBondContact O-N 2.88Å; Y176-E178 PolarHBondContact O-N 3.48Å; Y176-L179 WeakPolarHBondContact O-CB 3.37Å; Y176-L179 PolarHBondContact O-N 3.22Å; Y176-L199 HydrophobicContact CD1-CD2 3.83Å; Y176-L199 HydrophobicContact CD2-CB 4.41Å; Y176-L199 HydrophobicContact CD2-CD2 4.3Å; Y176-L199 HydrophobicContact CE1-CD2 4.25Å; Y176-L199 HydrophobicContact CG-CD2 3.86Å; Y176-Q202 HydrophobicContact CE2-CB 4.3Å; Y176-Q202 PolarHBondContact OH-O 2.98Å
177	P	93.2	Very high	94.6	Very high	92 Å²	92	41.8 Å²	41.8	60%	0.597	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.9	-177.9	-27.7	35.7	0	0	0	114.8	R175 L179 N180	R175-P177 WeakPolarHBondContact O-CD 3.27Å; P177-L179 PolarHBondContact O-N 2.64Å; P177-N180 VanDerWaalsContact O-CB 3.29Å; P177-N180 WeakPolarHBondContact O-CB 3.19Å; P177-N180 PolarHBondContact O-N 3.05Å
178	E	94.2	Very high	94.3	Very high	86 Å²	86	45.9 Å²	45.9	40%	0.402	23%	0.232	S	C	.	.	H	α-helix	trans	-58.1	-29.4	171.5	71.4	-176.5	131.8	0	0	112.7	Y176 N180 A181 R195 L199	Y176-E178 PolarHBondContact O-N 3.48Å; E178-N180 PolarHBondContact O-N 3.14Å; E178-A181 PolarHBondContact O-N 2.84Å; E178-R195 VanDerWaalsContact CD-NH2 3.26Å; E178-R195 IonicContact OE1-CZ 3.38Å; E178-R195 IonicContact OE1-NH2 3.19Å; E178-R195 PolarHBondContact OE1-NH2 3.45Å; E178-R195 IonicContact OE2-CZ 3.3Å; E178-R195 IonicContact OE2-NE 3.62Å; E178-R195 PolarHBondContact OE2-NE 3Å; E178-R195 IonicContact OE2-NH2 3.26Å; E178-R195 PolarHBondContact OE2-NH2 2.97Å; E178-L199 HydrophobicContact CG-CD1 3.47Å; E178-L199 VanDerWaalsContact CG-CD1 3.47Å; E178-L199 WeakPolarHBondContact OE1-CD1 3.27Å; E178-L199 WeakPolarHBondContact OE1-CD2 3.49Å
179	L	95.4	Very high	94.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-26.5	174.5	-79.9	169.1	0	0	0	112	V169 A172 A173 Y176 P177 A181 I182 L183 A196 L199	V169-L179 HydrophobicContact CG1-CD2 4.36Å; A172-L179 HydrophobicContact CB-CD1 3.54Å; A173-L179 HydrophobicContact CB-CB 3.75Å; A173-L179 HydrophobicContact CB-CD1 4.19Å; Y176-L179 WeakPolarHBondContact O-CB 3.37Å; Y176-L179 PolarHBondContact O-N 3.22Å; P177-L179 PolarHBondContact O-N 2.64Å; L179-A181 VanDerWaalsContact C-N 3.3Å; L179-A181 PolarHBondContact O-N 3.02Å; L179-I182 HydrophobicContact CD2-CD1 4.24Å; L179-I182 PolarHBondContact O-N 3.14Å; L179-I182 VanDerWaalsContact O-N 3.11Å; L179-L183 HydrophobicContact CB-CD1 4.3Å; L179-L183 WeakPolarHBondContact O-CB 3.33Å; L179-L183 WeakPolarHBondContact O-CG 3.08Å; L179-L183 PolarHBondContact O-N 2.81Å; L179-A196 HydrophobicContact CD2-CB 3.9Å; L179-L199 HydrophobicContact CD1-CB 3.99Å; L179-L199 HydrophobicContact CD1-CD1 4.36Å; L179-L199 HydrophobicContact CD2-CB 4.32Å; L179-L199 HydrophobicContact CD2-CD1 3.87Å; L179-L199 HydrophobicContact CG-CB 4.22Å; L179-L199 HydrophobicContact CG-CD1 3.71Å
180	N	94.2	Very high	94	Very high	27 Å²	27	58.9 Å²	58.9	14%	0.144	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-39.4	179.7	-71.4	-19.3	0	0	0	111.7	D83 R86 P177 E178 I182 L183 L184	D83-N180 PolarHBondContact OD1-ND2 3.09Å; D83-N180 PolarHBondContact OD1-OD1 2.71Å; D83-N180 VanDerWaalsContact OD1-OD1 3.12Å; D83-N180 PolarHBondContact OD2-ND2 2.87Å; R86-N180 PolarHBondContact NH1-OD1 3.12Å; P177-N180 VanDerWaalsContact O-CB 3.29Å; P177-N180 WeakPolarHBondContact O-CB 3.19Å; P177-N180 PolarHBondContact O-N 3.05Å; E178-N180 PolarHBondContact O-N 3.14Å; N180-I182 VanDerWaalsContact C-N 3.33Å; N180-I182 PolarHBondContact O-N 3.26Å; N180-L183 PolarHBondContact O-N 3.24Å; N180-L184 WeakPolarHBondContact O-CB 2.92Å; N180-L184 WeakPolarHBondContact O-CG 3.34Å; N180-L184 PolarHBondContact O-N 2.7Å
181	A	93.7	Very high	93.8	Very high	52 Å²	52	60.1 Å²	60.1	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-67.7	-33.1	175.7	0	0	0	0	0	112.7	E178 L179 R185	E178-A181 PolarHBondContact O-N 2.84Å; L179-A181 VanDerWaalsContact C-N 3.3Å; L179-A181 PolarHBondContact O-N 3.02Å; A181-R185 WeakPolarHBondContact O-CG 3.35Å; A181-R185 PolarHBondContact O-NH1 3.37Å; A181-R185 VanDerWaalsContact O-NH1 3.1Å
182	I	94.8	Very high	93.7	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-70.9	-42.6	175	-66.6	167.5	0	0	0	110.4	L179 N180 R185 Q186 F187 D192 R195	L179-I182 HydrophobicContact CD2-CD1 4.24Å; L179-I182 PolarHBondContact O-N 3.14Å; L179-I182 VanDerWaalsContact O-N 3.11Å; N180-I182 VanDerWaalsContact C-N 3.33Å; N180-I182 PolarHBondContact O-N 3.26Å; I182-R185 WeakPolarHBondContact O-CG 3.42Å; I182-R185 PolarHBondContact O-N 2.96Å; I182-Q186 PolarHBondContact O-N 3.45Å; I182-Q186 VanDerWaalsContact O-N 3.16Å; I182-F187 HydrophobicContact CG2-CD1 3.28Å; I182-F187 HydrophobicContact CG2-CE1 3.51Å; I182-F187 HydrophobicContact CG2-CG 4.08Å; I182-F187 HydrophobicContact CG2-CZ 4.47Å; I182-F187 PolarHBondContact O-N 3.22Å; I182-F187 VanDerWaalsContact O-N 3.17Å; I182-D192 HydrophobicContact CG2-CB 3.96Å; I182-R195 HydrophobicContact CD1-CB 4.3Å; I182-R195 HydrophobicContact CD1-CG 3.95Å
183	L	93.5	Very high	93.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-42.2	-179.6	-73.1	168.2	0	0	0	112.2	N79 A165 V169 L170 A173 L179 N180 R185 Q186 F187	N79-L183 PolarHBondContact ND2-O 2.88Å; A165-L183 HydrophobicContact CB-CD2 3.24Å; V169-L183 HydrophobicContact CG1-CD1 4.44Å; V169-L183 HydrophobicContact CG1-CD2 3.9Å; V169-L183 HydrophobicContact CG1-CG 4.48Å; L170-L183 HydrophobicContact CD2-CD1 4.4Å; A173-L183 HydrophobicContact CB-CD1 3.74Å; L179-L183 HydrophobicContact CB-CD1 4.3Å; L179-L183 WeakPolarHBondContact O-CB 3.33Å; L179-L183 WeakPolarHBondContact O-CG 3.08Å; L179-L183 PolarHBondContact O-N 2.81Å; N180-L183 PolarHBondContact O-N 3.24Å; L183-R185 VanDerWaalsContact C-N 3.27Å; L183-R185 PolarHBondContact O-N 3.19Å; L183-Q186 PolarHBondContact O-N 3.48Å; L183-Q186 VanDerWaalsContact O-N 3.12Å; L183-F187 HydrophobicContact CD2-CE2 4.1Å; L183-F187 HydrophobicContact CD2-CZ 3.63Å
184	L	92.2	Very high	93.3	Very high	75 Å²	75	65.3 Å²	65.3	39%	0.393	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-35.6	177.2	-80.8	175.4	0	0	0	113.3	D81 N180	D81-L184 HydrophobicContact CB-CD2 3.98Å; D81-L184 WeakPolarHBondContact OD1-CD1 3.14Å; N180-L184 WeakPolarHBondContact O-CB 2.92Å; N180-L184 WeakPolarHBondContact O-CG 3.34Å; N180-L184 PolarHBondContact O-N 2.7Å
185	R	91.8	Very high	93.3	Very high	85 Å²	85	64.1 Å²	64.1	32%	0.321	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	9.6	177.9	72.7	-173.1	175.1	-119.4	11.4	113.6	A181 I182 L183 F187 S188 D192	A181-R185 WeakPolarHBondContact O-CG 3.35Å; A181-R185 PolarHBondContact O-NH1 3.37Å; A181-R185 VanDerWaalsContact O-NH1 3.1Å; I182-R185 WeakPolarHBondContact O-CG 3.42Å; I182-R185 PolarHBondContact O-N 2.96Å; L183-R185 VanDerWaalsContact C-N 3.27Å; L183-R185 PolarHBondContact O-N 3.19Å; R185-F187 VanDerWaalsContact C-N 3.28Å; R185-F187 PolarHBondContact O-N 2.94Å; R185-S188 WeakPolarHBondContact O-CB 3.39Å; R185-S188 PolarHBondContact O-N 2.92Å; R185-S188 VanDerWaalsContact O-N 3.15Å; R185-S188 PolarHBondContact O-OG 3.18Å; R185-D192 IonicContact CZ-OD1 3.97Å; R185-D192 IonicContact CZ-OD2 3.36Å; R185-D192 IonicContact NE-OD1 2.66Å; R185-D192 PolarHBondContact NE-OD1 2.73Å; R185-D192 IonicContact NE-OD2 3.68Å; R185-D192 PolarHBondContact NE-OD2 3.22Å; R185-D192 IonicContact NH2-OD1 3.82Å; R185-D192 PolarHBondContact NH2-OD1 3Å; R185-D192 IonicContact NH2-OD2 3.06Å
186	Q	90.7	Very high	93.3	Very high	84 Å²	84	56.7 Å²	56.7	39%	0.393	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	43.1	175.6	-59.6	176.8	-17.1	0	0	113.4	I182 L183 S188	I182-Q186 PolarHBondContact O-N 3.45Å; I182-Q186 VanDerWaalsContact O-N 3.16Å; L183-Q186 PolarHBondContact O-N 3.48Å; L183-Q186 VanDerWaalsContact O-N 3.12Å; Q186-S188 PolarHBondContact O-N 3.18Å; Q186-S188 VanDerWaalsContact O-N 3.16Å
187	F	91.8	Very high	93.1	Very high	15 Å²	15	56 Å²	56	7%	0.066	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	28.1	177.3	-45.3	-91.8	0	0	0	114.3	L160 V169 I182 L183 R185 L189 D192 A196	L160-F187 HydrophobicContact CD2-CD1 4.18Å; L160-F187 HydrophobicContact CD2-CE1 3.52Å; L160-F187 HydrophobicContact CD2-CE2 4Å; L160-F187 HydrophobicContact CD2-CZ 3.41Å; L160-F187 VanDerWaalsContact CD2-CZ 3.41Å; V169-F187 HydrophobicContact CG1-CE1 4.47Å; V169-F187 HydrophobicContact CG1-CZ 4.14Å; I182-F187 HydrophobicContact CG2-CD1 3.28Å; I182-F187 HydrophobicContact CG2-CE1 3.51Å; I182-F187 HydrophobicContact CG2-CG 4.08Å; I182-F187 HydrophobicContact CG2-CZ 4.47Å; I182-F187 PolarHBondContact O-N 3.22Å; I182-F187 VanDerWaalsContact O-N 3.17Å; L183-F187 HydrophobicContact CD2-CE2 4.1Å; L183-F187 HydrophobicContact CD2-CZ 3.63Å; R185-F187 VanDerWaalsContact C-N 3.28Å; R185-F187 PolarHBondContact O-N 2.94Å; F187-L189 PolarHBondContact O-N 3.26Å; F187-D192 WeakPolarHBondContact CA-OD2 3.4Å; F187-D192 HydrophobicContact CB-CB 4.04Å; F187-D192 HydrophobicContact CD1-CB 4.46Å; F187-A196 HydrophobicContact CD1-CB 4.08Å; F187-A196 HydrophobicContact CE1-CB 3.66Å
188	S	90.4	Very high	93.1	Very high	87 Å²	87	56.1 Å²	56.1	61%	0.608	30%	0.297	S	S	*	.			trans	-78.6	-9.6	-173	55	0	0	0	0	115.6	R185 Q186 D192	R185-S188 WeakPolarHBondContact O-CB 3.39Å; R185-S188 PolarHBondContact O-N 2.92Å; R185-S188 VanDerWaalsContact O-N 3.15Å; R185-S188 PolarHBondContact O-OG 3.18Å; Q186-S188 PolarHBondContact O-N 3.18Å; Q186-S188 VanDerWaalsContact O-N 3.16Å; S188-D192 PolarHBondContact N-OD2 3.07Å
189	L	93.5	Very high	93.2	Very high	100 Å²	100	52 Å²	52	52%	0.524	28%	0.278	S	S	.	.	S	Bend	trans	-97.9	149.2	177.1	-59.3	180	0	0	0	111.7	F187 G191 D192	F187-L189 PolarHBondContact O-N 3.26Å; L189-G191 PolarHBondContact O-N 2.92Å; L189-D192 PolarHBondContact N-OD2 3.39Å; L189-D192 WeakPolarHBondContact O-CB 3.13Å; L189-D192 VanDerWaalsContact O-CG 3.27Å; L189-D192 PolarHBondContact O-N 3.39Å
190	D	92.5	Very high	93.2	Very high	173 Å²	173	52.2 Å²	52.2	93%	0.925	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	129.6	173.7	-65.2	-18.9	0	0	0	110.8	D192	D190-D192 VanDerWaalsContact C-N 3.35Å
191	G	93.1	Very high	93	Very high	36 Å²	36	59 Å²	59	37%	0.371	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-8.6	-178.5	0	0	0	0	0	115	L189 T193 E194 R195	L189-G191 PolarHBondContact O-N 2.92Å; G191-T193 PolarHBondContact O-N 3.44Å; G191-E194 VanDerWaalsContact C-OE2 3.25Å; G191-E194 WeakPolarHBondContact CA-OE2 3.44Å; G191-E194 PolarHBondContact O-N 2.96Å; G191-R195 VanDerWaalsContact O-CB 3.23Å; G191-R195 WeakPolarHBondContact O-CB 3.49Å; G191-R195 PolarHBondContact O-N 2.88Å
192	D	94.5	Very high	93.1	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-43.2	-178.7	-82.8	-7.9	0	0	0	112.4	I182 R185 F187 S188 L189 D190 A196	I182-D192 HydrophobicContact CG2-CB 3.96Å; R185-D192 IonicContact CZ-OD1 3.97Å; R185-D192 IonicContact CZ-OD2 3.36Å; R185-D192 IonicContact NE-OD1 2.66Å; R185-D192 PolarHBondContact NE-OD1 2.73Å; R185-D192 IonicContact NE-OD2 3.68Å; R185-D192 PolarHBondContact NE-OD2 3.22Å; R185-D192 IonicContact NH2-OD1 3.82Å; R185-D192 PolarHBondContact NH2-OD1 3Å; R185-D192 IonicContact NH2-OD2 3.06Å; F187-D192 WeakPolarHBondContact CA-OD2 3.4Å; F187-D192 HydrophobicContact CB-CB 4.04Å; F187-D192 HydrophobicContact CD1-CB 4.46Å; S188-D192 PolarHBondContact N-OD2 3.07Å; L189-D192 PolarHBondContact N-OD2 3.39Å; L189-D192 WeakPolarHBondContact O-CB 3.13Å; L189-D192 VanDerWaalsContact O-CG 3.27Å; L189-D192 PolarHBondContact O-N 3.39Å; D190-D192 VanDerWaalsContact C-N 3.35Å; D192-A196 VanDerWaalsContact O-CB 3.22Å; D192-A196 WeakPolarHBondContact O-CB 3.47Å; D192-A196 PolarHBondContact O-N 3.3Å
193	T	92.4	Very high	93.1	Very high	22 Å²	22	62 Å²	62	14%	0.135	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-45.9	-179.2	-65.5	0	0	0	0	110.3	L160 Q161 G191 A196 L197	L160-T193 HydrophobicContact CB-CG2 3.83Å; L160-T193 HydrophobicContact CD1-CG2 4.17Å; Q161-T193 HydrophobicContact CG-CG2 4.39Å; G191-T193 PolarHBondContact O-N 3.44Å; T193-A196 PolarHBondContact O-N 3.46Å; T193-L197 HydrophobicContact CG2-CD1 4.13Å; T193-L197 WeakPolarHBondContact O-CB 3.45Å; T193-L197 VanDerWaalsContact O-CG 3.29Å; T193-L197 WeakPolarHBondContact O-CG 3.33Å; T193-L197 PolarHBondContact O-N 2.9Å
194	E	92	Very high	93.1	Very high	113 Å²	113	66.1 Å²	66.1	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-47.9	177.6	-65	75.3	-169.6	0	0	110.8	G191 A196 L197 E198	G191-E194 VanDerWaalsContact C-OE2 3.25Å; G191-E194 WeakPolarHBondContact CA-OE2 3.44Å; G191-E194 PolarHBondContact O-N 2.96Å; E194-A196 VanDerWaalsContact C-N 3.33Å; E194-A196 PolarHBondContact O-N 2.79Å; E194-L197 PolarHBondContact O-N 3.43Å; E194-E198 WeakPolarHBondContact O-CG 3.22Å; E194-E198 PolarHBondContact O-N 2.98Å
195	R	94.8	Very high	93.3	Very high	83 Å²	83	62.6 Å²	62.6	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-40.9	178.3	-176.8	57.7	-179.5	157.6	2.4	111.6	E178 I182 G191 E198 L199	E178-R195 VanDerWaalsContact CD-NH2 3.26Å; E178-R195 IonicContact OE1-CZ 3.38Å; E178-R195 IonicContact OE1-NH2 3.19Å; E178-R195 PolarHBondContact OE1-NH2 3.45Å; E178-R195 IonicContact OE2-CZ 3.3Å; E178-R195 IonicContact OE2-NE 3.62Å; E178-R195 PolarHBondContact OE2-NE 3Å; E178-R195 IonicContact OE2-NH2 3.26Å; E178-R195 PolarHBondContact OE2-NH2 2.97Å; I182-R195 HydrophobicContact CD1-CB 4.3Å; I182-R195 HydrophobicContact CD1-CG 3.95Å; G191-R195 VanDerWaalsContact O-CB 3.23Å; G191-R195 WeakPolarHBondContact O-CB 3.49Å; G191-R195 PolarHBondContact O-N 2.88Å; R195-E198 IonicContact NH1-OE2 3.49Å; R195-E198 PolarHBondContact NH1-OE2 3.47Å; R195-E198 PolarHBondContact O-N 3.28Å; R195-L199 HydrophobicContact CG-CD1 4.16Å; R195-L199 VanDerWaalsContact O-CG 3.31Å; R195-L199 WeakPolarHBondContact O-CG 3.43Å; R195-L199 PolarHBondContact O-N 3.02Å; R195-L199 VanDerWaalsContact O-N 3.08Å
196	A	94.4	Very high	93.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-45.5	176.3	0	0	0	0	0	111.5	L160 L179 F187 D192 T193 E194 E198 L199 V200	L160-A196 HydrophobicContact CD1-CB 4.17Å; L179-A196 HydrophobicContact CD2-CB 3.9Å; F187-A196 HydrophobicContact CD1-CB 4.08Å; F187-A196 HydrophobicContact CE1-CB 3.66Å; D192-A196 VanDerWaalsContact O-CB 3.22Å; D192-A196 WeakPolarHBondContact O-CB 3.47Å; D192-A196 PolarHBondContact O-N 3.3Å; T193-A196 PolarHBondContact O-N 3.46Å; E194-A196 VanDerWaalsContact C-N 3.33Å; E194-A196 PolarHBondContact O-N 2.79Å; A196-E198 VanDerWaalsContact C-N 3.34Å; A196-E198 PolarHBondContact O-N 3.41Å; A196-L199 PolarHBondContact O-N 3.26Å; A196-V200 WeakPolarHBondContact O-CG2 3.23Å; A196-V200 PolarHBondContact O-N 2.88Å
197	L	91.9	Very high	93.7	Very high	32 Å²	32	57.2 Å²	57.2	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-42.4	176	-73.2	169.9	0	0	0	112.4	F145 L160 T193 E194 V200 K201	F145-L197 HydrophobicContact CD1-CD2 3.9Å; F145-L197 HydrophobicContact CE1-CD2 3.89Å; L160-L197 HydrophobicContact CD1-CD2 3.66Å; L160-L197 HydrophobicContact CD1-CG 3.66Å; T193-L197 HydrophobicContact CG2-CD1 4.13Å; T193-L197 WeakPolarHBondContact O-CB 3.45Å; T193-L197 VanDerWaalsContact O-CG 3.29Å; T193-L197 WeakPolarHBondContact O-CG 3.33Å; T193-L197 PolarHBondContact O-N 2.9Å; E194-L197 PolarHBondContact O-N 3.43Å; L197-V200 PolarHBondContact O-N 3.47Å; L197-K201 VanDerWaalsContact O-CG 3.29Å; L197-K201 WeakPolarHBondContact O-CG 3.41Å; L197-K201 PolarHBondContact O-N 3.19Å
198	E	93.7	Very high	93.9	Very high	96 Å²	96	59.7 Å²	59.7	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-58.3	-47.1	174.6	-74.1	177	179.1	0	0	111.9	E194 R195 A196 K201 Q202	E194-E198 WeakPolarHBondContact O-CG 3.22Å; E194-E198 PolarHBondContact O-N 2.98Å; R195-E198 IonicContact NH1-OE2 3.49Å; R195-E198 PolarHBondContact NH1-OE2 3.47Å; R195-E198 PolarHBondContact O-N 3.28Å; A196-E198 VanDerWaalsContact C-N 3.34Å; A196-E198 PolarHBondContact O-N 3.41Å; E198-K201 PolarHBondContact O-N 3.07Å; E198-Q202 VanDerWaalsContact O-CG 3.32Å; E198-Q202 WeakPolarHBondContact O-CG 3.25Å; E198-Q202 PolarHBondContact O-N 3.05Å
199	L	96.1	Very high	94.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-37.6	-178.4	-67.1	171.1	0	0	0	112.4	Y176 E178 L179 R195 A196 K201 Q202 S203	Y176-L199 HydrophobicContact CD1-CD2 3.83Å; Y176-L199 HydrophobicContact CD2-CB 4.41Å; Y176-L199 HydrophobicContact CD2-CD2 4.3Å; Y176-L199 HydrophobicContact CE1-CD2 4.25Å; Y176-L199 HydrophobicContact CG-CD2 3.86Å; E178-L199 HydrophobicContact CG-CD1 3.47Å; E178-L199 VanDerWaalsContact CG-CD1 3.47Å; E178-L199 WeakPolarHBondContact OE1-CD1 3.27Å; E178-L199 WeakPolarHBondContact OE1-CD2 3.49Å; L179-L199 HydrophobicContact CD1-CB 3.99Å; L179-L199 HydrophobicContact CD1-CD1 4.36Å; L179-L199 HydrophobicContact CD2-CB 4.32Å; L179-L199 HydrophobicContact CD2-CD1 3.87Å; L179-L199 HydrophobicContact CG-CB 4.22Å; L179-L199 HydrophobicContact CG-CD1 3.71Å; R195-L199 HydrophobicContact CG-CD1 4.16Å; R195-L199 VanDerWaalsContact O-CG 3.31Å; R195-L199 WeakPolarHBondContact O-CG 3.43Å; R195-L199 PolarHBondContact O-N 3.02Å; R195-L199 VanDerWaalsContact O-N 3.08Å; A196-L199 PolarHBondContact O-N 3.26Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.24Å; L199-Q202 PolarHBondContact O-N 3.22Å; L199-S203 VanDerWaalsContact O-CB 3.23Å; L199-S203 WeakPolarHBondContact O-CB 3.42Å; L199-S203 PolarHBondContact O-N 2.85Å; L199-S203 PolarHBondContact O-OG 3.39Å
200	V	94.4	Very high	94.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-45.5	171.5	176.1	0	0	0	0	110.1	F145 P168 V169 A172 A196 L197 Q202 S203 V206	F145-V200 HydrophobicContact CD1-CB 4.26Å; F145-V200 HydrophobicContact CD1-CG1 3.75Å; F145-V200 HydrophobicContact CD1-CG2 4.43Å; F145-V200 HydrophobicContact CE1-CB 4.29Å; F145-V200 HydrophobicContact CE1-CG1 4.1Å; F145-V200 HydrophobicContact CE1-CG2 3.98Å; F145-V200 HydrophobicContact CG-CG1 4.46Å; P168-V200 HydrophobicContact CB-CG1 3.9Å; V169-V200 HydrophobicContact CB-CG2 4.4Å; V169-V200 HydrophobicContact CG2-CG2 4.11Å; A172-V200 HydrophobicContact CB-CB 4.48Å; A172-V200 HydrophobicContact CB-CG2 3.9Å; A196-V200 WeakPolarHBondContact O-CG2 3.23Å; A196-V200 PolarHBondContact O-N 2.88Å; L197-V200 PolarHBondContact O-N 3.47Å; V200-Q202 VanDerWaalsContact C-N 3.33Å; V200-Q202 PolarHBondContact O-N 3.36Å; V200-S203 WeakPolarHBondContact CA-OG 3.35Å; V200-S203 PolarHBondContact O-N 3.38Å; V200-S203 PolarHBondContact O-OG 3.48Å; V200-V206 HydrophobicContact CG1-CG2 3.89Å
201	K	91.2	Very high	94.5	Very high	168 Å²	168	52.6 Å²	52.6	73%	0.73	26%	0.264	S	S	*	.	H	α-helix	trans	-64	-32.8	177.9	-72.9	173.7	-176.7	178.2	0	113.8	L197 E198 L199	L197-K201 VanDerWaalsContact O-CG 3.29Å; L197-K201 WeakPolarHBondContact O-CG 3.41Å; L197-K201 PolarHBondContact O-N 3.19Å; E198-K201 PolarHBondContact O-N 3.07Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.24Å
202	Q	94.9	Very high	94.7	Very high	103 Å²	103	52.5 Å²	52.5	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-81.9	-17.9	176.8	-67.9	175	15.3	0	0	113	Y176 E198 L199 V200	Y176-Q202 HydrophobicContact CE2-CB 4.3Å; Y176-Q202 PolarHBondContact OH-O 2.98Å; E198-Q202 VanDerWaalsContact O-CG 3.32Å; E198-Q202 WeakPolarHBondContact O-CG 3.25Å; E198-Q202 PolarHBondContact O-N 3.05Å; L199-Q202 PolarHBondContact O-N 3.22Å; V200-Q202 VanDerWaalsContact C-N 3.33Å; V200-Q202 PolarHBondContact O-N 3.36Å
203	S	95.7	Very high	94.7	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.133	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-177.5	176.2	81.1	0	0	0	0	112.5	A172 L199 V200 G205	A172-S203 VanDerWaalsContact CB-OG 3.27Å; A172-S203 WeakPolarHBondContact CB-OG 3.3Å; L199-S203 VanDerWaalsContact O-CB 3.23Å; L199-S203 WeakPolarHBondContact O-CB 3.42Å; L199-S203 PolarHBondContact O-N 2.85Å; L199-S203 PolarHBondContact O-OG 3.39Å; V200-S203 WeakPolarHBondContact CA-OG 3.35Å; V200-S203 PolarHBondContact O-N 3.38Å; V200-S203 PolarHBondContact O-OG 3.48Å; S203-G205 PolarHBondContact OG-N 2.97Å
204	D	94.1	Very high	94.9	Very high	86 Å²	86	54.2 Å²	54.2	46%	0.46	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	23.9	165.2	-170	35	0	0	0	111.7	V206 G207 Q208	D204-V206 VanDerWaalsContact C-N 3.29Å; D204-V206 PolarHBondContact O-N 2.98Å; D204-G207 PolarHBondContact O-N 3.23Å; D204-G207 WeakPolarHBondContact OD1-CA 3.44Å; D204-Q208 WeakPolarHBondContact O-CG 3.5Å; D204-Q208 PolarHBondContact O-N 3.39Å
205	G	96.3	Very high	95.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-39.2	-174.1	0	0	0	0	0	113.3	P168 S203 T209	P168-G205 WeakPolarHBondContact O-CA 3.27Å; S203-G205 PolarHBondContact OG-N 2.97Å; G205-T209 WeakPolarHBondContact O-CB 3.33Å; G205-T209 PolarHBondContact O-N 3.43Å; G205-T209 PolarHBondContact O-OG1 3.45Å
206	V	94.4	Very high	95.2	Very high	33 Å²	33	50.9 Å²	50.9	20%	0.2	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-45.5	172.6	173.1	0	0	0	0	111.3	V142 F145 V146 P168 V200 D204 T209 R210	V142-V206 HydrophobicContact CG1-CG1 4.07Å; F145-V206 HydrophobicContact CB-CG2 4.05Å; V146-V206 HydrophobicContact CG1-CG1 3.53Å; V146-V206 HydrophobicContact CG1-CG2 4.42Å; P168-V206 HydrophobicContact CB-CG2 4.06Å; P168-V206 HydrophobicContact CG-CG2 4.46Å; V200-V206 HydrophobicContact CG1-CG2 3.89Å; D204-V206 VanDerWaalsContact C-N 3.29Å; D204-V206 PolarHBondContact O-N 2.98Å; V206-T209 PolarHBondContact O-N 3.27Å; V206-R210 WeakPolarHBondContact O-CB 3.29Å; V206-R210 PolarHBondContact O-N 3.36Å
207	G	95	Very high	95.2	Very high	24 Å²	24	51.3 Å²	51.3	25%	0.247	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-43.1	-180	0	0	0	0	0	112.4	D204 R210 M211	D204-G207 PolarHBondContact O-N 3.23Å; D204-G207 WeakPolarHBondContact OD1-CA 3.44Å; G207-R210 PolarHBondContact O-N 3.23Å; G207-M211 WeakPolarHBondContact O-CB 3.28Å; G207-M211 PolarHBondContact O-N 3.21Å
208	Q	97.6	Very high	95.4	Very high	66 Å²	66	53.7 Å²	53.7	31%	0.308	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-40.9	176.3	-68.8	-176.2	6.9	0	0	112.2	F171 D204 R210 M211 L212	F171-Q208 HydrophobicContact CB-CB 4.03Å; F171-Q208 HydrophobicContact CD1-CB 3.83Å; F171-Q208 HydrophobicContact CD2-CB 3.79Å; F171-Q208 HydrophobicContact CE1-CB 4.12Å; F171-Q208 HydrophobicContact CE2-CB 4.1Å; F171-Q208 HydrophobicContact CG-CB 3.63Å; F171-Q208 HydrophobicContact CZ-CB 4.23Å; D204-Q208 WeakPolarHBondContact O-CG 3.5Å; D204-Q208 PolarHBondContact O-N 3.39Å; Q208-R210 VanDerWaalsContact C-N 3.34Å; Q208-R210 PolarHBondContact O-N 3.27Å; Q208-M211 PolarHBondContact O-N 2.87Å; Q208-L212 PolarHBondContact O-N 3.16Å
209	T	96.6	Very high	95.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-42.8	174	-51.9	0	0	0	0	111.3	L138 V142 G167 P168 F171 G205 V206 M211 L212 A213	L138-T209 HydrophobicContact CB-CG2 4.39Å; L138-T209 HydrophobicContact CD2-CG2 3.92Å; V142-T209 HydrophobicContact CG2-CG2 3.65Å; G167-T209 PolarHBondContact O-OG1 3.34Å; P168-T209 WeakPolarHBondContact CA-OG1 3.29Å; P168-T209 WeakPolarHBondContact CD-OG1 3.49Å; P168-T209 HydrophobicContact CG-CG2 4.38Å; F171-T209 WeakPolarHBondContact CD2-OG1 3.22Å; G205-T209 WeakPolarHBondContact O-CB 3.33Å; G205-T209 PolarHBondContact O-N 3.43Å; G205-T209 PolarHBondContact O-OG1 3.45Å; V206-T209 PolarHBondContact O-N 3.27Å; T209-M211 VanDerWaalsContact C-N 3.34Å; T209-M211 PolarHBondContact O-N 3.37Å; T209-L212 PolarHBondContact O-N 3.31Å; T209-A213 PolarHBondContact O-N 3.2Å
210	R	94.8	Very high	95.6	Very high	75 Å²	75	49.3 Å²	49.3	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-63.8	-38.8	176.1	-171.5	177	-67.3	-127.3	1.8	112	V142 V206 G207 Q208 A213 E214 G247	V142-R210 HydrophobicContact CG2-CB 4.41Å; V206-R210 WeakPolarHBondContact O-CB 3.29Å; V206-R210 PolarHBondContact O-N 3.36Å; G207-R210 PolarHBondContact O-N 3.23Å; Q208-R210 VanDerWaalsContact C-N 3.34Å; Q208-R210 PolarHBondContact O-N 3.27Å; R210-A213 WeakPolarHBondContact O-CB 3.32Å; R210-A213 PolarHBondContact O-N 3.03Å; R210-E214 WeakPolarHBondContact O-CB 3.46Å; R210-E214 PolarHBondContact O-N 3.46Å; R210-G247 PolarHBondContact NH1-O 2.66Å; R210-G247 PolarHBondContact NH2-O 3.1Å
211	M	96.4	Very high	95.6	Very high	137 Å²	137	51.6 Å²	51.6	68%	0.675	25%	0.251	S	S	*	.	H	α-helix	trans	-64	-41.1	175	-172.6	-177.7	-64.4	0	0	111.6	G207 Q208 T209 E214 F215	G207-M211 WeakPolarHBondContact O-CB 3.28Å; G207-M211 PolarHBondContact O-N 3.21Å; Q208-M211 PolarHBondContact O-N 2.87Å; T209-M211 VanDerWaalsContact C-N 3.34Å; T209-M211 PolarHBondContact O-N 3.37Å; M211-E214 PolarHBondContact O-N 3.18Å; M211-F215 PolarHBondContact O-N 3.01Å
212	L	97.4	Very high	95.9	Very high	34 Å²	34	49.3 Å²	49.3	18%	0.178	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-40.4	174.6	-177.2	58.4	0	0	0	111.7	F87 L91 L138 F171 Q208 T209 F215 H216	F87-L212 HydrophobicContact CE1-CD2 4.36Å; F87-L212 HydrophobicContact CZ-CD2 3.9Å; L91-L212 HydrophobicContact CD2-CD2 4.09Å; L138-L212 HydrophobicContact CD1-CB 4.45Å; L138-L212 HydrophobicContact CD1-CD2 4.23Å; L138-L212 HydrophobicContact CD1-CG 3.84Å; L138-L212 HydrophobicContact CD2-CD2 3.96Å; L138-L212 HydrophobicContact CD2-CG 4.34Å; F171-L212 HydrophobicContact CE2-CD2 4.34Å; F171-L212 HydrophobicContact CZ-CD2 4.21Å; Q208-L212 PolarHBondContact O-N 3.16Å; T209-L212 PolarHBondContact O-N 3.31Å; L212-F215 HydrophobicContact CD1-CD1 4.33Å; L212-F215 WeakPolarHBondContact O-CB 3.27Å; L212-F215 PolarHBondContact O-N 3.32Å; L212-H216 PolarHBondContact O-CD2 2.96Å; L212-H216 PolarHBondContact O-N 2.89Å; L212-H216 VanDerWaalsContact O-N 3.08Å
213	A	95.6	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-44.7	174.2	0	0	0	0	0	111.9	L138 I139 T209 R210 F215 H216 F217	L138-A213 HydrophobicContact CB-CB 3.67Å; L138-A213 HydrophobicContact CD1-CB 4.35Å; I139-A213 HydrophobicContact CD1-CB 3.61Å; I139-A213 HydrophobicContact CG1-CB 3.86Å; T209-A213 PolarHBondContact O-N 3.2Å; R210-A213 WeakPolarHBondContact O-CB 3.32Å; R210-A213 PolarHBondContact O-N 3.03Å; A213-F215 VanDerWaalsContact C-N 3.35Å; A213-F215 PolarHBondContact O-N 3.3Å; A213-H216 PolarHBondContact O-N 3.24Å; A213-F217 WeakPolarHBondContact O-CB 3.44Å; A213-F217 PolarHBondContact O-N 3.28Å
214	E	94.7	Very high	96	Very high	64 Å²	64	44.2 Å²	44.2	30%	0.299	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-40.7	175.9	-179.5	61.1	-147.8	0	0	111.7	R210 M211 H216 F217 Q218 L244	R210-E214 WeakPolarHBondContact O-CB 3.46Å; R210-E214 PolarHBondContact O-N 3.46Å; M211-E214 PolarHBondContact O-N 3.18Å; E214-H216 PolarHBondContact O-N 3.31Å; E214-F217 WeakPolarHBondContact O-CB 3.44Å; E214-F217 PolarHBondContact O-N 2.91Å; E214-Q218 WeakPolarHBondContact O-CG 3.32Å; E214-Q218 PolarHBondContact O-N 3.39Å; E214-Q218 WeakPolarHBondContact OE1-CG 3.48Å; E214-Q218 PolarHBondContact OE1-NE2 2.93Å; E214-L244 WeakPolarHBondContact OE2-CD1 3.49Å
215	F	97	Very high	96.1	Very high	106 Å²	106	45.6 Å²	45.6	47%	0.465	22%	0.215	S	C	.	.	H	α-helix	trans	-57.4	-49	173.6	166.3	-94.3	0	0	0	111.7	M211 L212 A213 F217 Q218 A219	M211-F215 PolarHBondContact O-N 3.01Å; L212-F215 HydrophobicContact CD1-CD1 4.33Å; L212-F215 WeakPolarHBondContact O-CB 3.27Å; L212-F215 PolarHBondContact O-N 3.32Å; A213-F215 VanDerWaalsContact C-N 3.35Å; A213-F215 PolarHBondContact O-N 3.3Å; F215-F217 VanDerWaalsContact C-N 3.31Å; F215-F217 PolarHBondContact O-N 3.39Å; F215-Q218 PolarHBondContact O-N 3.28Å; F215-A219 WeakPolarHBondContact O-CB 3.08Å; F215-A219 PolarHBondContact O-N 2.84Å
216	H	97.3	Very high	96	Very high	20 Å²	20	49.7 Å²	49.7	9%	0.093	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-40	176.7	-84.2	-81.6	0	0	0	111.3	H131 M134 A135 L212 A213 E214 A219 A220	H131-H216 WeakPolarHBondContact CB-O 3.43Å; H131-H216 AromaticContact CE1-ND1 3.72Å; H131-H216 AromaticContact CG-ND1 3.92Å; H131-H216 AromaticContact ND1-CE1 3.74Å; H131-H216 AromaticContact ND1-CG 3.78Å; H131-H216 AromaticContact ND1-ND1 2.93Å; H131-H216 PolarHBondContact ND1-ND1 2.81Å; M134-H216 HydrophobicContact CB-CB 4.31Å; M134-H216 WeakPolarHBondContact CB-ND1 3.38Å; A135-H216 HydrophobicContact CB-CB 3.87Å; L212-H216 PolarHBondContact O-CD2 2.96Å; L212-H216 PolarHBondContact O-N 2.89Å; L212-H216 VanDerWaalsContact O-N 3.08Å; A213-H216 PolarHBondContact O-N 3.24Å; E214-H216 PolarHBondContact O-N 3.31Å; H216-A219 WeakPolarHBondContact O-CB 3.31Å; H216-A219 PolarHBondContact O-N 3.38Å; H216-A220 PolarHBondContact O-N 3.39Å
217	F	95.1	Very high	96	Very high	10 Å²	10	50 Å²	50	4%	0.044	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-50.9	176.4	-177.9	-103.7	0	0	0	112.9	A135 A213 E214 F215 A219 A220 Q221 A240 A241 L244	A135-F217 HydrophobicContact CB-CB 4.47Å; A213-F217 WeakPolarHBondContact O-CB 3.44Å; A213-F217 PolarHBondContact O-N 3.28Å; E214-F217 WeakPolarHBondContact O-CB 3.44Å; E214-F217 PolarHBondContact O-N 2.91Å; F215-F217 VanDerWaalsContact C-N 3.31Å; F215-F217 PolarHBondContact O-N 3.39Å; F217-A219 VanDerWaalsContact C-N 3.26Å; F217-A219 PolarHBondContact O-N 2.97Å; F217-A220 WeakPolarHBondContact O-CB 3.36Å; F217-A220 PolarHBondContact O-N 3.42Å; F217-A220 VanDerWaalsContact O-N 3.14Å; F217-Q221 HydrophobicContact CD1-CG 4.29Å; F217-Q221 HydrophobicContact CE1-CG 3.85Å; F217-Q221 HydrophobicContact CE2-CG 4.46Å; F217-Q221 HydrophobicContact CZ-CG 3.92Å; F217-Q221 WeakPolarHBondContact O-CG 3.17Å; F217-Q221 PolarHBondContact O-N 3.47Å; F217-A240 HydrophobicContact CD2-CB 4.28Å; F217-A240 HydrophobicContact CE2-CB 3.39Å; F217-A240 WeakPolarHBondContact CE2-O 3.5Å; F217-A240 HydrophobicContact CZ-CB 4.1Å; F217-A241 VanDerWaalsContact CZ-CA 3.45Å; F217-A241 HydrophobicContact CZ-CB 3.94Å; F217-L244 HydrophobicContact CB-CD1 3.82Å; F217-L244 HydrophobicContact CB-CD2 4.07Å; F217-L244 HydrophobicContact CB-CG 4.15Å; F217-L244 HydrophobicContact CD1-CD1 3.12Å; F217-L244 HydrophobicContact CD1-CG 4.12Å; F217-L244 HydrophobicContact CD2-CD1 3.72Å; F217-L244 HydrophobicContact CD2-CD2 4.46Å; F217-L244 HydrophobicContact CD2-CG 3.79Å; F217-L244 HydrophobicContact CE1-CD1 3.49Å; F217-L244 VanDerWaalsContact CE1-CD1 3.49Å; F217-L244 HydrophobicContact CE1-CG 4.48Å; F217-L244 HydrophobicContact CE2-CD1 4.07Å; F217-L244 HydrophobicContact CE2-CG 4.25Å; F217-L244 HydrophobicContact CG-CD1 3.23Å; F217-L244 HydrophobicContact CG-CD2 4.21Å; F217-L244 HydrophobicContact CG-CG 3.73Å; F217-L244 HydrophobicContact CZ-CD1 3.98Å
218	Q	95.3	Very high	95.9	Very high	81 Å²	81	59.2 Å²	59.2	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-36.1	178.2	-68	175.3	6.6	0	0	111.6	E214 F215 Q221 R222	E214-Q218 WeakPolarHBondContact O-CG 3.32Å; E214-Q218 PolarHBondContact O-N 3.39Å; E214-Q218 WeakPolarHBondContact OE1-CG 3.48Å; E214-Q218 PolarHBondContact OE1-NE2 2.93Å; F215-Q218 PolarHBondContact O-N 3.28Å; Q218-Q221 PolarHBondContact O-N 2.89Å; Q218-R222 WeakPolarHBondContact O-CG 3.22Å; Q218-R222 PolarHBondContact O-N 3.08Å
219	A	97.4	Very high	95.8	Very high	5 Å²	5	60.3 Å²	60.3	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-44.7	173.5	0	0	0	0	0	112	H131 F215 H216 F217 Q221 R222 C223	H131-A219 HydrophobicContact CB-CB 4.24Å; H131-A219 VanDerWaalsContact CE1-CB 3.48Å; H131-A219 WeakPolarHBondContact CE1-CB 3.32Å; H131-A219 WeakPolarHBondContact ND1-CB 3.3Å; F215-A219 WeakPolarHBondContact O-CB 3.08Å; F215-A219 PolarHBondContact O-N 2.84Å; H216-A219 WeakPolarHBondContact O-CB 3.31Å; H216-A219 PolarHBondContact O-N 3.38Å; F217-A219 VanDerWaalsContact C-N 3.26Å; F217-A219 PolarHBondContact O-N 2.97Å; A219-Q221 VanDerWaalsContact C-N 3.32Å; A219-Q221 PolarHBondContact O-N 3.36Å; A219-R222 VanDerWaalsContact CA-NH2 3.34Å; A219-R222 WeakPolarHBondContact O-CB 3.42Å; A219-R222 PolarHBondContact O-N 3.06Å; A219-C223 PolarHBondContact O-N 3.42Å; A219-C223 PolarHBondContact O-SG 3.28Å; A219-C223 VanDerWaalsContact O-SG 3.38Å
220	A	96.6	Very high	95.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-42.7	174.5	0	0	0	0	0	111.7	F128 H131 L132 H216 F217 C223 L224	F128-A220 HydrophobicContact CD2-CB 3.87Å; F128-A220 WeakPolarHBondContact CD2-O 3.48Å; F128-A220 HydrophobicContact CE2-CB 4.17Å; H131-A220 HydrophobicContact CB-CB 3.82Å; L132-A220 HydrophobicContact CB-CB 4.39Å; H216-A220 PolarHBondContact O-N 3.39Å; F217-A220 WeakPolarHBondContact O-CB 3.36Å; F217-A220 PolarHBondContact O-N 3.42Å; F217-A220 VanDerWaalsContact O-N 3.14Å; A220-C223 WeakPolarHBondContact O-CB 3.1Å; A220-C223 PolarHBondContact O-N 3.39Å; A220-L224 PolarHBondContact O-N 2.92Å; A220-L224 VanDerWaalsContact O-N 3.16Å
221	Q	95.3	Very high	95.9	Very high	52 Å²	52	65.8 Å²	65.8	24%	0.243	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-43.6	175.8	-65.6	-175.4	-48.5	0	0	112.1	F217 Q218 A219 C223 L224 F225 L237	F217-Q221 HydrophobicContact CD1-CG 4.29Å; F217-Q221 HydrophobicContact CE1-CG 3.85Å; F217-Q221 HydrophobicContact CE2-CG 4.46Å; F217-Q221 HydrophobicContact CZ-CG 3.92Å; F217-Q221 WeakPolarHBondContact O-CG 3.17Å; F217-Q221 PolarHBondContact O-N 3.47Å; Q218-Q221 PolarHBondContact O-N 2.89Å; A219-Q221 VanDerWaalsContact C-N 3.32Å; A219-Q221 PolarHBondContact O-N 3.36Å; Q221-C223 VanDerWaalsContact C-N 3.26Å; Q221-C223 PolarHBondContact O-N 2.71Å; Q221-L224 PolarHBondContact O-N 3.2Å; Q221-F225 HydrophobicContact CB-CD2 4.48Å; Q221-F225 HydrophobicContact CB-CE2 4.15Å; Q221-F225 WeakPolarHBondContact O-CD2 3.48Å; Q221-F225 PolarHBondContact O-N 3.45Å; Q221-L237 HydrophobicContact CB-CD2 4Å; Q221-L237 HydrophobicContact CG-CD2 3.8Å
222	R	96.7	Very high	95.8	Very high	120 Å²	120	63.4 Å²	63.4	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-58.2	-37.4	175.9	-74.8	-172	-62.1	-92	5.1	112.3	Q218 A219 F225 Q226	Q218-R222 WeakPolarHBondContact O-CG 3.22Å; Q218-R222 PolarHBondContact O-N 3.08Å; A219-R222 VanDerWaalsContact CA-NH2 3.34Å; A219-R222 WeakPolarHBondContact O-CB 3.42Å; A219-R222 PolarHBondContact O-N 3.06Å; R222-F225 PolarHBondContact O-N 3.33Å; R222-Q226 PolarHBondContact O-NE2 3.47Å
223	C	97.5	Very high	95.7	Very high	11 Å²	11	63.8 Å²	63.8	7%	0.074	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-48.1	172.1	-64.8	0	0	0	0	111	N124 F128 A219 A220 Q221 F225 Q226	N124-C223 PolarHBondContact ND2-O 2.97Å; N124-C223 VanDerWaalsContact OD1-CA 3.3Å; N124-C223 WeakPolarHBondContact OD1-CA 3.26Å; N124-C223 VanDerWaalsContact OD1-CB 3.32Å; N124-C223 WeakPolarHBondContact OD1-CB 3.46Å; N124-C223 PolarHBondContact OD1-SG 3.28Å; N124-C223 VanDerWaalsContact OD1-SG 3.38Å; F128-C223 HydrophobicContact CB-CB 3.71Å; A219-C223 PolarHBondContact O-N 3.42Å; A219-C223 PolarHBondContact O-SG 3.28Å; A219-C223 VanDerWaalsContact O-SG 3.38Å; A220-C223 WeakPolarHBondContact O-CB 3.1Å; A220-C223 PolarHBondContact O-N 3.39Å; Q221-C223 VanDerWaalsContact C-N 3.26Å; Q221-C223 PolarHBondContact O-N 2.71Å; C223-F225 VanDerWaalsContact C-N 3.27Å; C223-F225 PolarHBondContact O-N 2.86Å; C223-Q226 VanDerWaalsContact O-CB 3.32Å; C223-Q226 WeakPolarHBondContact O-CB 3.37Å; C223-Q226 WeakPolarHBondContact O-CG 3.26Å; C223-Q226 PolarHBondContact O-N 3.39Å; C223-Q226 VanDerWaalsContact O-N 3.1Å
224	L	95.6	Very high	95.7	Very high	3 Å²	3	68.9 Å²	68.9	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-29.9	179.2	-67.5	-178.9	0	0	0	113.8	F128 A220 Q221 Q226 F227 R233 L236 L237	F128-L224 HydrophobicContact CD1-CD2 4.16Å; F128-L224 HydrophobicContact CD2-CD1 3.96Å; F128-L224 HydrophobicContact CD2-CD2 3.75Å; F128-L224 HydrophobicContact CD2-CG 3.55Å; F128-L224 HydrophobicContact CE1-CD2 4.23Å; F128-L224 HydrophobicContact CE2-CD1 3.44Å; F128-L224 VanDerWaalsContact CE2-CD1 3.44Å; F128-L224 HydrophobicContact CE2-CD2 3.85Å; F128-L224 HydrophobicContact CE2-CG 3.59Å; F128-L224 HydrophobicContact CG-CD2 3.91Å; F128-L224 HydrophobicContact CG-CG 4.2Å; F128-L224 HydrophobicContact CZ-CD1 3.96Å; F128-L224 HydrophobicContact CZ-CD2 4.07Å; F128-L224 HydrophobicContact CZ-CG 4.26Å; A220-L224 PolarHBondContact O-N 2.92Å; A220-L224 VanDerWaalsContact O-N 3.16Å; Q221-L224 PolarHBondContact O-N 3.2Å; L224-Q226 PolarHBondContact O-N 2.88Å; L224-F227 PolarHBondContact O-N 3.46Å; L224-F227 VanDerWaalsContact O-N 3.08Å; L224-R233 HydrophobicContact CB-CG 4.3Å; L224-R233 VanDerWaalsContact O-CD 3.31Å; L224-R233 WeakPolarHBondContact O-CD 3.34Å; L224-L236 HydrophobicContact CD1-CB 3.64Å; L224-L236 HydrophobicContact CD2-CB 4.29Å; L224-L236 HydrophobicContact CD2-CD1 3.88Å; L224-L237 HydrophobicContact CB-CD2 4.21Å; L224-L237 HydrophobicContact CD1-CD2 3.76Å; L224-L237 HydrophobicContact CD1-CG 3.83Å
225	F	95.9	Very high	95.7	Very high	116 Å²	116	68.4 Å²	68.4	51%	0.509	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.9	176.2	-74.5	-60.6	0	0	0	114.2	Q221 R222 C223 F227 L237	Q221-F225 HydrophobicContact CB-CD2 4.48Å; Q221-F225 HydrophobicContact CB-CE2 4.15Å; Q221-F225 WeakPolarHBondContact O-CD2 3.48Å; Q221-F225 PolarHBondContact O-N 3.45Å; R222-F225 PolarHBondContact O-N 3.33Å; C223-F225 VanDerWaalsContact C-N 3.27Å; C223-F225 PolarHBondContact O-N 2.86Å; F225-F227 PolarHBondContact O-N 2.82Å; F225-L237 HydrophobicContact CE1-CD1 4.45Å; F225-L237 HydrophobicContact CZ-CD1 4.45Å
226	Q	94.5	Very high	95.5	Very high	87 Å²	87	66.4 Å²	66.4	41%	0.407	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-7	170.8	-53.2	-45.5	-49.1	0	0	113.6	W120 H121 N124 R222 C223 L224	W120-Q226 HydrophobicContact CH2-CB 3.53Å; W120-Q226 HydrophobicContact CH2-CG 3.53Å; W120-Q226 HydrophobicContact CZ2-CG 4.18Å; W120-Q226 HydrophobicContact CZ3-CB 3.8Å; W120-Q226 HydrophobicContact CZ3-CG 4.28Å; H121-Q226 PolarHBondContact NE2-O 3.47Å; N124-Q226 WeakPolarHBondContact ND2-CB 3.47Å; R222-Q226 PolarHBondContact O-NE2 3.47Å; C223-Q226 VanDerWaalsContact O-CB 3.32Å; C223-Q226 WeakPolarHBondContact O-CB 3.37Å; C223-Q226 WeakPolarHBondContact O-CG 3.26Å; C223-Q226 PolarHBondContact O-N 3.39Å; C223-Q226 VanDerWaalsContact O-N 3.1Å; L224-Q226 PolarHBondContact O-N 2.88Å
227	F	93.4	Very high	95.3	Very high	39 Å²	39	66.8 Å²	66.8	17%	0.171	33%	0.326	C	S	.	.	S	Bend	trans	-104.8	150.7	175.4	-62.7	-90.5	0	0	0	110.9	L117 H121 N124 M125 L224 F225 R233	L117-F227 HydrophobicContact CD1-CE1 4.35Å; L117-F227 HydrophobicContact CD2-CE1 4.18Å; H121-F227 HydrophobicContact CB-CE1 3.99Å; H121-F227 HydrophobicContact CB-CZ 4.09Å; H121-F227 AromaticContact CD2-CE1 3.63Å; H121-F227 AromaticContact CD2-CZ 3.9Å; N124-F227 VanDerWaalsContact ND2-CE2 3.32Å; N124-F227 WeakPolarHBondContact ND2-CE2 3.43Å; M125-F227 HydrophobicContact CG-CE2 4.18Å; M125-F227 HydrophobicContact CG-CZ 3.65Å; M125-F227 HydrophobicContact SD-CD2 4.48Å; M125-F227 HydrophobicContact SD-CE1 4.44Å; M125-F227 HydrophobicContact SD-CE2 3.58Å; M125-F227 VanDerWaalsContact SD-CE2 3.58Å; M125-F227 HydrophobicContact SD-CZ 3.57Å; M125-F227 VanDerWaalsContact SD-CZ 3.57Å; L224-F227 PolarHBondContact O-N 3.46Å; L224-F227 VanDerWaalsContact O-N 3.08Å; F225-F227 PolarHBondContact O-N 2.82Å; F227-R233 PolarHBondContact O-NH1 3.44Å
228	R	93.6	Very high	95.1	Very high	217 Å²	217	71.7 Å²	71.7	82%	0.819	35%	0.349	S	S	*	.			trans	-55.1	153	175.6	67.2	179.8	178.7	-171.7	-1.3	112.4	S230	R228-S230 PolarHBondContact O-N 3.27Å
229	D	95.5	Very high	94.8	Very high	89 Å²	89	71 Å²	71	48%	0.476	35%	0.351	S	S	.	.	S	Bend	trans	-59.9	131.1	171.6	-164.8	44	0	0	0	111	R233 K234	D229-R233 VanDerWaalsContact CB-NH2 3.29Å; D229-R233 VanDerWaalsContact CG-NH2 3.28Å; D229-R233 IonicContact OD1-CZ 3.35Å; D229-R233 IonicContact OD1-NE 3.56Å; D229-R233 PolarHBondContact OD1-NE 2.9Å; D229-R233 IonicContact OD1-NH2 2.67Å; D229-R233 PolarHBondContact OD1-NH2 3.37Å; D229-K234 WeakPolarHBondContact OD1-CE 3.23Å; D229-K234 IonicContact OD1-NZ 3.69Å; D229-K234 WeakPolarHBondContact OD2-CE 3.34Å; D229-K234 IonicContact OD2-NZ 2.85Å; D229-K234 PolarHBondContact OD2-NZ 3.01Å
230	S	96.3	Very high	94.1	Very high	40 Å²	40	70.9 Å²	70.9	28%	0.28	35%	0.349	S	S	.	.			trans	-162.6	160	-177.5	60.4	0	0	0	0	110.4	R228 S232 R233 K234	R228-S230 PolarHBondContact O-N 3.27Å; S230-S232 VanDerWaalsContact C-N 3.26Å; S230-S232 PolarHBondContact O-N 2.97Å; S230-R233 PolarHBondContact O-N 3.25Å; S230-R233 WeakPolarHBondContact OG-CB 3.29Å; S230-R233 PolarHBondContact OG-N 3.23Å; S230-R233 VanDerWaalsContact OG-N 3.13Å; S230-K234 WeakPolarHBondContact O-CG 3.49Å; S230-K234 PolarHBondContact O-N 2.88Å
231	L	96.5	Very high	93.6	Very high	150 Å²	150	72.3 Å²	72.3	79%	0.785	36%	0.361	S	S	*	.	H	α-helix	trans	-59.1	-40.2	173.1	-66.2	177.6	0	0	0	111.4	R233 K234 A235	L231-R233 PolarHBondContact O-N 3.18Å; L231-K234 PolarHBondContact O-N 2.88Å; L231-A235 WeakPolarHBondContact O-CB 3.47Å; L231-A235 PolarHBondContact O-N 3.37Å
232	S	94.3	Very high	93.1	Very high	87 Å²	87	72.7 Å²	72.7	61%	0.608	37%	0.365	S	S	*	.	H	α-helix	trans	-62.1	-43.1	177.2	-48.1	0	0	0	0	112.2	S230 A235 L236	S230-S232 VanDerWaalsContact C-N 3.26Å; S230-S232 PolarHBondContact O-N 2.97Å; S232-A235 PolarHBondContact O-N 3.11Å; S232-L236 WeakPolarHBondContact O-CG 3.35Å; S232-L236 PolarHBondContact O-N 2.93Å
233	R	95.1	Very high	92.1	Very high	42 Å²	42	69.3 Å²	69.3	16%	0.158	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-46	175.2	-172.5	-177.6	74.1	170.3	10	111.4	L224 F227 D229 S230 L231 A235 L236 L237	L224-R233 HydrophobicContact CB-CG 4.3Å; L224-R233 VanDerWaalsContact O-CD 3.31Å; L224-R233 WeakPolarHBondContact O-CD 3.34Å; F227-R233 PolarHBondContact O-NH1 3.44Å; D229-R233 VanDerWaalsContact CB-NH2 3.29Å; D229-R233 VanDerWaalsContact CG-NH2 3.28Å; D229-R233 IonicContact OD1-CZ 3.35Å; D229-R233 IonicContact OD1-NE 3.56Å; D229-R233 PolarHBondContact OD1-NE 2.9Å; D229-R233 IonicContact OD1-NH2 2.67Å; D229-R233 PolarHBondContact OD1-NH2 3.37Å; S230-R233 PolarHBondContact O-N 3.25Å; S230-R233 WeakPolarHBondContact OG-CB 3.29Å; S230-R233 PolarHBondContact OG-N 3.23Å; S230-R233 VanDerWaalsContact OG-N 3.13Å; L231-R233 PolarHBondContact O-N 3.18Å; R233-A235 VanDerWaalsContact C-N 3.33Å; R233-A235 PolarHBondContact O-N 2.82Å; R233-L236 PolarHBondContact O-N 3.12Å; R233-L237 HydrophobicContact CG-CD1 4.21Å; R233-L237 WeakPolarHBondContact O-CG 3.22Å; R233-L237 PolarHBondContact O-N 2.86Å
234	K	95.4	Very high	90.9	Very high	107 Å²	107	69.9 Å²	69.9	47%	0.465	36%	0.356	S	S	.	.	H	α-helix	trans	-62	-40.6	177.7	-69.9	175	-172.3	168.4	0	111.7	D229 S230 L231 L237 H238	D229-K234 WeakPolarHBondContact OD1-CE 3.23Å; D229-K234 IonicContact OD1-NZ 3.69Å; D229-K234 WeakPolarHBondContact OD2-CE 3.34Å; D229-K234 IonicContact OD2-NZ 2.85Å; D229-K234 PolarHBondContact OD2-NZ 3.01Å; S230-K234 WeakPolarHBondContact O-CG 3.49Å; S230-K234 PolarHBondContact O-N 2.88Å; L231-K234 PolarHBondContact O-N 2.88Å; K234-L237 PolarHBondContact O-N 3.2Å; K234-H238 WeakPolarHBondContact O-CB 3.36Å; K234-H238 PolarHBondContact O-N 3.26Å
235	A	95.3	Very high	89.8	Confident	54 Å²	54	75.2 Å²	75.2	45%	0.446	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-45.1	176	0	0	0	0	0	111.9	L231 S232 R233 H238 V239	L231-A235 WeakPolarHBondContact O-CB 3.47Å; L231-A235 PolarHBondContact O-N 3.37Å; S232-A235 PolarHBondContact O-N 3.11Å; R233-A235 VanDerWaalsContact C-N 3.33Å; R233-A235 PolarHBondContact O-N 2.82Å; A235-H238 PolarHBondContact O-N 3.36Å; A235-V239 WeakPolarHBondContact O-CG2 3.19Å; A235-V239 PolarHBondContact O-N 3.17Å
236	L	93.9	Very high	88.4	Confident	65 Å²	65	76.4 Å²	76.4	34%	0.34	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-42.4	176.1	-71.5	172.9	0	0	0	112.1	F128 L224 S232 R233 H238 V239 A240	F128-L236 HydrophobicContact CE1-CD1 4.46Å; F128-L236 HydrophobicContact CE1-CD2 4.28Å; F128-L236 HydrophobicContact CZ-CB 4.26Å; F128-L236 HydrophobicContact CZ-CD2 4.25Å; L224-L236 HydrophobicContact CD1-CB 3.64Å; L224-L236 HydrophobicContact CD2-CB 4.29Å; L224-L236 HydrophobicContact CD2-CD1 3.88Å; S232-L236 WeakPolarHBondContact O-CG 3.35Å; S232-L236 PolarHBondContact O-N 2.93Å; R233-L236 PolarHBondContact O-N 3.12Å; L236-H238 VanDerWaalsContact C-N 3.29Å; L236-H238 PolarHBondContact O-N 3.47Å; L236-V239 PolarHBondContact O-N 3.25Å; L236-A240 VanDerWaalsContact O-CB 3.29Å; L236-A240 WeakPolarHBondContact O-CB 3.41Å; L236-A240 PolarHBondContact O-N 3.3Å
237	L	92.5	Very high	86.3	Confident	27 Å²	27	73.5 Å²	73.5	14%	0.141	38%	0.375	C	S	.	.	H	α-helix	trans	-60.8	-39.1	173.8	-73.5	168.8	0	0	0	111.9	Q221 L224 F225 R233 K234 A241	Q221-L237 HydrophobicContact CB-CD2 4Å; Q221-L237 HydrophobicContact CG-CD2 3.8Å; L224-L237 HydrophobicContact CB-CD2 4.21Å; L224-L237 HydrophobicContact CD1-CD2 3.76Å; L224-L237 HydrophobicContact CD1-CG 3.83Å; F225-L237 HydrophobicContact CE1-CD1 4.45Å; F225-L237 HydrophobicContact CZ-CD1 4.45Å; R233-L237 HydrophobicContact CG-CD1 4.21Å; R233-L237 WeakPolarHBondContact O-CG 3.22Å; R233-L237 PolarHBondContact O-N 2.86Å; K234-L237 PolarHBondContact O-N 3.2Å; L237-A241 WeakPolarHBondContact O-CB 3.46Å; L237-A241 PolarHBondContact O-N 2.97Å
238	H	91.6	Very high	84	Confident	113 Å²	113	83.5 Å²	83.5	52%	0.523	41%	0.412	S	S	.	.	H	α-helix	trans	-68.7	-46.3	178	-178	63.5	0	0	0	112.3	K234 A235 L236 A240 A241 N242	K234-H238 WeakPolarHBondContact O-CB 3.36Å; K234-H238 PolarHBondContact O-N 3.26Å; A235-H238 PolarHBondContact O-N 3.36Å; L236-H238 VanDerWaalsContact C-N 3.29Å; L236-H238 PolarHBondContact O-N 3.47Å; H238-A240 VanDerWaalsContact C-N 3.25Å; H238-A240 PolarHBondContact O-N 2.81Å; H238-A241 PolarHBondContact O-N 3.16Å; H238-A241 VanDerWaalsContact O-N 3.16Å; H238-N242 PolarHBondContact CD2-ND2 2.96Å; H238-N242 PolarHBondContact CE1-ND2 3.35Å; H238-N242 VanDerWaalsContact CE1-ND2 3.29Å; H238-N242 PolarHBondContact CE1-OD1 3.37Å; H238-N242 VanDerWaalsContact CE1-OD1 3.23Å; H238-N242 PolarHBondContact NE2-ND2 3.12Å; H238-N242 VanDerWaalsContact O-CG 3.28Å; H238-N242 PolarHBondContact O-N 3.06Å; H238-N242 PolarHBondContact O-ND2 2.75Å
239	V	87.1	Confident	83.5	Confident	68 Å²	68	76.9 Å²	76.9	41%	0.412	39%	0.391	S	S	.	.	H	α-helix	trans	-54.4	-48.2	173.6	166	0	0	0	0	110	A235 L236 F243	A235-V239 WeakPolarHBondContact O-CG2 3.19Å; A235-V239 PolarHBondContact O-N 3.17Å; L236-V239 PolarHBondContact O-N 3.25Å; V239-F243 HydrophobicContact CG1-CD2 4.25Å; V239-F243 HydrophobicContact CG1-CE2 3.55Å; V239-F243 HydrophobicContact CG1-CZ 4.34Å; V239-F243 WeakPolarHBondContact O-CD2 3.37Å
240	A	84.7	Confident	82.9	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.008	39%	0.387	C	S	.	.	H	α-helix	trans	-58.6	-52.6	177.7	0	0	0	0	0	110	L132 F217 L236 H238 N242 F243	L132-A240 HydrophobicContact CD1-CB 3.79Å; F217-A240 HydrophobicContact CD2-CB 4.28Å; F217-A240 HydrophobicContact CE2-CB 3.39Å; F217-A240 WeakPolarHBondContact CE2-O 3.5Å; F217-A240 HydrophobicContact CZ-CB 4.1Å; L236-A240 VanDerWaalsContact O-CB 3.29Å; L236-A240 WeakPolarHBondContact O-CB 3.41Å; L236-A240 PolarHBondContact O-N 3.3Å; H238-A240 VanDerWaalsContact C-N 3.25Å; H238-A240 PolarHBondContact O-N 2.81Å; A240-N242 VanDerWaalsContact C-N 3.32Å; A240-N242 PolarHBondContact O-N 3.05Å; A240-F243 PolarHBondContact O-N 3.42Å; A240-F243 VanDerWaalsContact O-N 3.15Å
241	A	85.6	Confident	82.1	Confident	30 Å²	30	78.2 Å²	78.2	25%	0.248	39%	0.393	C	S	.	.	H	α-helix	trans	-63	-35.9	-174.7	0	0	0	0	0	113.3	F217 L237 H238 F243 L244	F217-A241 VanDerWaalsContact CZ-CA 3.45Å; F217-A241 HydrophobicContact CZ-CB 3.94Å; L237-A241 WeakPolarHBondContact O-CB 3.46Å; L237-A241 PolarHBondContact O-N 2.97Å; H238-A241 PolarHBondContact O-N 3.16Å; H238-A241 VanDerWaalsContact O-N 3.16Å; A241-F243 PolarHBondContact O-N 3.3Å; A241-L244 PolarHBondContact O-N 3.34Å
242	N	84.9	Confident	81.3	Confident	61 Å²	61	74 Å²	74	33%	0.326	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-28.5	177.7	-72.2	-15.2	0	0	0	112.6	H238 A240 Q245	H238-N242 PolarHBondContact CD2-ND2 2.96Å; H238-N242 PolarHBondContact CE1-ND2 3.35Å; H238-N242 VanDerWaalsContact CE1-ND2 3.29Å; H238-N242 PolarHBondContact CE1-OD1 3.37Å; H238-N242 VanDerWaalsContact CE1-OD1 3.23Å; H238-N242 PolarHBondContact NE2-ND2 3.12Å; H238-N242 VanDerWaalsContact O-CG 3.28Å; H238-N242 PolarHBondContact O-N 3.06Å; H238-N242 PolarHBondContact O-ND2 2.75Å; A240-N242 VanDerWaalsContact C-N 3.32Å; A240-N242 PolarHBondContact O-N 3.05Å; N242-Q245 PolarHBondContact O-N 3.46Å
243	F	75.3	Confident	80.5	Confident	49 Å²	49	73.2 Å²	73.2	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-68.1	-38.9	177.2	-72.4	-58.8	0	0	0	112.3	L132 F136 V239 A240 A241 Q245 R246	L132-F243 HydrophobicContact CD1-CD2 4.23Å; F136-F243 AromaticContact CD2-CD1 3.63Å; F136-F243 HydrophobicContact CD2-CD1 3.63Å; F136-F243 AromaticContact CD2-CE1 3.69Å; F136-F243 HydrophobicContact CD2-CE1 3.69Å; F136-F243 HydrophobicContact CD2-CG 4.1Å; F136-F243 HydrophobicContact CD2-CZ 4.19Å; F136-F243 AromaticContact CE2-CD1 3.8Å; F136-F243 HydrophobicContact CE2-CD1 3.8Å; F136-F243 AromaticContact CE2-CE1 3.57Å; F136-F243 HydrophobicContact CE2-CE1 3.57Å; F136-F243 HydrophobicContact CE2-CZ 4.28Å; V239-F243 HydrophobicContact CG1-CD2 4.25Å; V239-F243 HydrophobicContact CG1-CE2 3.55Å; V239-F243 HydrophobicContact CG1-CZ 4.34Å; V239-F243 WeakPolarHBondContact O-CD2 3.37Å; A240-F243 PolarHBondContact O-N 3.42Å; A240-F243 VanDerWaalsContact O-N 3.15Å; A241-F243 PolarHBondContact O-N 3.3Å; F243-Q245 PolarHBondContact O-N 3.16Å; F243-R246 PolarHBondContact O-N 2.63Å
244	L	71	Confident	79.5	Confident	23 Å²	23	75.3 Å²	75.3	12%	0.12	37%	0.368	C	S	.	.	H	α-helix	trans	-65.4	-22.7	176	-75	-177	0	0	0	113.9	I139 E214 F217 A241 R246	I139-L244 HydrophobicContact CD1-CD2 4.09Å; I139-L244 HydrophobicContact CG1-CD2 4.16Å; E214-L244 WeakPolarHBondContact OE2-CD1 3.49Å; F217-L244 HydrophobicContact CB-CD1 3.82Å; F217-L244 HydrophobicContact CB-CD2 4.07Å; F217-L244 HydrophobicContact CB-CG 4.15Å; F217-L244 HydrophobicContact CD1-CD1 3.12Å; F217-L244 HydrophobicContact CD1-CG 4.12Å; F217-L244 HydrophobicContact CD2-CD1 3.72Å; F217-L244 HydrophobicContact CD2-CD2 4.46Å; F217-L244 HydrophobicContact CD2-CG 3.79Å; F217-L244 HydrophobicContact CE1-CD1 3.49Å; F217-L244 VanDerWaalsContact CE1-CD1 3.49Å; F217-L244 HydrophobicContact CE1-CG 4.48Å; F217-L244 HydrophobicContact CE2-CD1 4.07Å; F217-L244 HydrophobicContact CE2-CG 4.25Å; F217-L244 HydrophobicContact CG-CD1 3.23Å; F217-L244 HydrophobicContact CG-CD2 4.21Å; F217-L244 HydrophobicContact CG-CG 3.73Å; F217-L244 HydrophobicContact CZ-CD1 3.98Å; A241-L244 PolarHBondContact O-N 3.34Å; L244-R246 VanDerWaalsContact C-N 3.34Å
245	Q	73.4	Confident	78.3	Confident	115 Å²	115	73 Å²	73	54%	0.537	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-10.9	-179.1	-66.3	-176.2	-2.4	0	0	112.9	N242 F243 G247 R248	N242-Q245 PolarHBondContact O-N 3.46Å; F243-Q245 PolarHBondContact O-N 3.16Å; Q245-G247 PolarHBondContact O-N 3.15Å; Q245-R248 PolarHBondContact O-N 3.23Å
246	R	66.1	Low	77	Confident	141 Å²	141	74.5 Å²	74.5	53%	0.532	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	98.7	171.4	-62.2	-178	176.8	-171.8	-3.4	107.6	L143 F243 L244	L143-R246 HydrophobicContact CD1-CB 4.1Å; F243-R246 PolarHBondContact O-N 2.63Å; L244-R246 VanDerWaalsContact C-N 3.34Å
247	G	51.8	Low	75.6	Confident	25 Å²	25	75.3 Å²	75.3	26%	0.258	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.1	22.8	179	0	0	0	0	0	116.1	R210 Q245	R210-G247 PolarHBondContact NH1-O 2.66Å; R210-G247 PolarHBondContact NH2-O 3.1Å; Q245-G247 PolarHBondContact O-N 3.15Å
248	R	43.6	Very low	74.1	Confident	250 Å²	250	79.6 Å²	79.6	94%	0.943	38%	0.375	S	S	*	.			trans	-92.6	0	153.4	-71.8	-174.7	-178.5	-172.9	-0.9	108.8	Q245	Q245-R248 PolarHBondContact O-N 3.23Å

Retrieved 248 of 248 residues in 56.1 ms (Link to these results)

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