A0A3Q0KS54_SCHMA Loading...

Serine/threonine-protein phosphatase 2A activator AlphaSync

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A3Q0KS54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 312 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	89	Confident	96.7	Very high	177 Å²	177	53.9 Å²	53.9	87%	0.872	25%	0.25	S	C	*	.				0	-53	0	-71.1	-54.7	-70.8	0	0	112.3	V3 Y4 E5	M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.4Å; M1-Y4 WeakPolarHBondContact O-CA 3.18Å; M1-Y4 VanDerWaalsContact O-CB 3.24Å; M1-Y4 WeakPolarHBondContact O-CB 3.14Å; M1-Y4 PolarHBondContact O-N 3.29Å; M1-E5 PolarHBondContact O-N 3.29Å; M1-E5 VanDerWaalsContact O-N 3.07Å
2	F	94.4	Very high	96.8	Very high	58 Å²	58	58.3 Å²	58.3	25%	0.254	27%	0.271	S	S	.	.	H	α-helix	trans	-58.8	-36.1	-176.1	-57.7	-63	0	0	0	115.7	Y4 E5 V6 I48 I49 H51 D52	F2-Y4 VanDerWaalsContact C-N 3.27Å; F2-Y4 PolarHBondContact O-N 3.49Å; F2-E5 WeakPolarHBondContact O-CB 3.36Å; F2-E5 PolarHBondContact O-N 3.31Å; F2-V6 PolarHBondContact O-N 2.99Å; F2-I48 HydrophobicContact CB-CG2 4.34Å; F2-I48 HydrophobicContact CD1-CG2 3.99Å; F2-I49 HydrophobicContact CB-CB 4.35Å; F2-I49 HydrophobicContact CB-CG1 4.11Å; F2-H51 HydrophobicContact CE1-CB 4.12Å; F2-H51 HydrophobicContact CE2-CB 4.43Å; F2-H51 HydrophobicContact CZ-CB 4.01Å; F2-H51 AromaticContact CZ-ND1 3.9Å; F2-D52 WeakPolarHBondContact CE2-OD2 3.35Å
3	V	97.2	Very high	96.9	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-38	173.3	179.9	0	0	0	0	111.4	M1 V6 L7 I49 F99 L100 L103 L109 I130	M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.4Å; V3-V6 PolarHBondContact O-N 3.18Å; V3-L7 WeakPolarHBondContact O-CG 3.38Å; V3-L7 PolarHBondContact O-N 2.89Å; V3-I49 HydrophobicContact CG2-CD1 4.18Å; V3-I49 HydrophobicContact CG2-CG1 4.27Å; V3-I49 HydrophobicContact CG2-CG2 4.27Å; V3-F99 HydrophobicContact CG1-CE1 4.06Å; V3-L100 HydrophobicContact CG1-CD2 4.05Å; V3-L103 HydrophobicContact CG2-CD1 3.64Å; V3-L109 HydrophobicContact CG2-CD2 4.44Å; V3-I130 HydrophobicContact CB-CD1 4.06Å; V3-I130 HydrophobicContact CG1-CD1 4.07Å; V3-I130 HydrophobicContact CG1-CG1 4.34Å; V3-I130 HydrophobicContact CG1-CG2 3.8Å
4	Y	97.3	Very high	97	Very high	90 Å²	90	51.1 Å²	51.1	35%	0.353	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-43.5	176.1	-173.2	-78.3	0	0	0	111	M1 F2 V6 L7 D8 V129 I130 K133	M1-Y4 WeakPolarHBondContact O-CA 3.18Å; M1-Y4 VanDerWaalsContact O-CB 3.24Å; M1-Y4 WeakPolarHBondContact O-CB 3.14Å; M1-Y4 PolarHBondContact O-N 3.29Å; F2-Y4 VanDerWaalsContact C-N 3.27Å; F2-Y4 PolarHBondContact O-N 3.49Å; Y4-V6 VanDerWaalsContact C-N 3.33Å; Y4-V6 PolarHBondContact O-N 3.08Å; Y4-L7 PolarHBondContact O-N 2.96Å; Y4-D8 WeakPolarHBondContact O-CB 3.15Å; Y4-D8 PolarHBondContact O-N 3.24Å; Y4-V129 HydrophobicContact CD2-CG1 3.94Å; Y4-V129 HydrophobicContact CE2-CG1 4.32Å; Y4-I130 HydrophobicContact CD2-CD1 4.46Å; Y4-K133 HydrophobicContact CD2-CB 3.92Å; Y4-K133 HydrophobicContact CD2-CD 4.45Å; Y4-K133 HydrophobicContact CD2-CG 3.82Å; Y4-K133 HydrophobicContact CE1-CD 4.46Å; Y4-K133 HydrophobicContact CE2-CB 3.74Å; Y4-K133 HydrophobicContact CE2-CD 3.87Å; Y4-K133 HydrophobicContact CE2-CG 3.68Å; Y4-K133 HydrophobicContact CG-CG 4.42Å
5	E	96.9	Very high	97	Very high	96 Å²	96	58.6 Å²	58.6	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-59.9	-42.2	176	-176	-178.7	164.3	0	0	111.9	M1 F2 D8 K9 I48	M1-E5 PolarHBondContact O-N 3.29Å; M1-E5 VanDerWaalsContact O-N 3.07Å; F2-E5 WeakPolarHBondContact O-CB 3.36Å; F2-E5 PolarHBondContact O-N 3.31Å; E5-D8 PolarHBondContact O-N 3.3Å; E5-K9 PolarHBondContact O-N 2.69Å; E5-I48 HydrophobicContact CG-CG2 4.39Å
6	V	98.1	Very high	97	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-51.4	172.3	162.3	0	0	0	0	111	F2 V3 Y4 D8 K9 L10 I45 I48 I49 L76	F2-V6 PolarHBondContact O-N 2.99Å; V3-V6 PolarHBondContact O-N 3.18Å; Y4-V6 VanDerWaalsContact C-N 3.33Å; Y4-V6 PolarHBondContact O-N 3.08Å; V6-D8 PolarHBondContact O-N 2.9Å; V6-K9 PolarHBondContact O-N 3.11Å; V6-L10 HydrophobicContact CG1-CD1 4.37Å; V6-L10 VanDerWaalsContact O-CG 3.32Å; V6-L10 WeakPolarHBondContact O-CG 3.29Å; V6-L10 PolarHBondContact O-N 3.26Å; V6-I45 HydrophobicContact CB-CG2 4.12Å; V6-I45 HydrophobicContact CG1-CG2 3.56Å; V6-I45 HydrophobicContact CG2-CG2 3.81Å; V6-I45 VanDerWaalsContact CG2-O 3.27Å; V6-I45 WeakPolarHBondContact CG2-O 3.09Å; V6-I48 HydrophobicContact CG2-CB 4.23Å; V6-I49 HydrophobicContact CB-CD1 4.27Å; V6-I49 HydrophobicContact CG2-CD1 3.73Å; V6-I49 HydrophobicContact CG2-CG1 3.71Å; V6-L76 HydrophobicContact CG1-CD1 4.39Å; V6-L76 HydrophobicContact CG1-CD2 3.99Å
7	L	98.5	Very high	97.1	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-33.2	177.9	-65.8	176.8	0	0	0	112.5	V3 Y4 Q11 F80 F96 I130 K133 Y134 L137	V3-L7 WeakPolarHBondContact O-CG 3.38Å; V3-L7 PolarHBondContact O-N 2.89Å; Y4-L7 PolarHBondContact O-N 2.96Å; L7-Q11 WeakPolarHBondContact O-CB 3.33Å; L7-Q11 PolarHBondContact O-N 3.3Å; L7-F80 HydrophobicContact CD2-CE1 4.46Å; L7-F80 HydrophobicContact CD2-CZ 3.95Å; L7-F96 HydrophobicContact CD1-CZ 4.17Å; L7-F96 HydrophobicContact CD2-CE2 3.98Å; L7-F96 HydrophobicContact CD2-CZ 4.2Å; L7-I130 HydrophobicContact CD1-CG2 3.87Å; L7-K133 HydrophobicContact CB-CG 3.75Å; L7-K133 HydrophobicContact CD1-CB 4.13Å; L7-K133 HydrophobicContact CD1-CG 3.8Å; L7-K133 HydrophobicContact CG-CG 4.46Å; L7-Y134 HydrophobicContact CD2-CD2 4.43Å; L7-L137 HydrophobicContact CD2-CD2 4.07Å
8	D	97.8	Very high	97.1	Very high	47 Å²	47	62.3 Å²	62.3	25%	0.251	30%	0.301	S	S	.	.	H	α-helix	trans	-69	-44.4	176.3	-156.3	53.1	0	0	0	112	Y4 E5 V6 L10 Q11 Q12 K133	Y4-D8 WeakPolarHBondContact O-CB 3.15Å; Y4-D8 PolarHBondContact O-N 3.24Å; E5-D8 PolarHBondContact O-N 3.3Å; V6-D8 PolarHBondContact O-N 2.9Å; D8-L10 VanDerWaalsContact C-N 3.31Å; D8-L10 PolarHBondContact O-N 2.94Å; D8-Q11 WeakPolarHBondContact O-CB 3.34Å; D8-Q11 PolarHBondContact O-N 3.13Å; D8-Q11 VanDerWaalsContact O-N 3.13Å; D8-Q12 VanDerWaalsContact O-CG 3.31Å; D8-Q12 WeakPolarHBondContact O-CG 3.4Å; D8-Q12 PolarHBondContact O-N 3.26Å; D8-Q12 PolarHBondContact OD2-NE2 2.98Å; D8-K133 IonicContact OD1-NZ 2.97Å; D8-K133 PolarHBondContact OD1-NZ 3.33Å
9	K	97.8	Very high	97.1	Very high	65 Å²	65	62.4 Å²	62.4	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-58.6	-42.4	173.5	-173.8	170.6	177.9	179.7	0	111.5	E5 V6 A13 E44 I45 I48	E5-K9 PolarHBondContact O-N 2.69Å; V6-K9 PolarHBondContact O-N 3.11Å; K9-A13 WeakPolarHBondContact O-CB 3.27Å; K9-A13 PolarHBondContact O-N 3.14Å; K9-A13 VanDerWaalsContact O-N 3.09Å; K9-E44 IonicContact NZ-OE1 3.37Å; K9-E44 PolarHBondContact NZ-OE1 3.21Å; K9-I45 HydrophobicContact CD-CG1 4.07Å; K9-I48 HydrophobicContact CD-CD1 4.24Å
10	L	98.5	Very high	96.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-39.3	175.5	-65.2	-174.6	0	0	0	112.6	V6 D8 W34 W37 L38 I45 L76 F80 L137	V6-L10 HydrophobicContact CG1-CD1 4.37Å; V6-L10 VanDerWaalsContact O-CG 3.32Å; V6-L10 WeakPolarHBondContact O-CG 3.29Å; V6-L10 PolarHBondContact O-N 3.26Å; D8-L10 VanDerWaalsContact C-N 3.31Å; D8-L10 PolarHBondContact O-N 2.94Å; L10-W34 HydrophobicContact CB-CZ2 4.26Å; L10-W34 PolarHBondContact O-NE1 3.33Å; L10-W37 HydrophobicContact CD2-CH2 3.87Å; L10-W37 HydrophobicContact CD2-CZ3 3.67Å; L10-L38 HydrophobicContact CD1-CD1 4.48Å; L10-L38 HydrophobicContact CD2-CD1 3.68Å; L10-I45 HydrophobicContact CD2-CD1 3.89Å; L10-L76 HydrophobicContact CD1-CD1 4.33Å; L10-F80 HydrophobicContact CD1-CD2 4.24Å; L10-F80 HydrophobicContact CD1-CE1 4.32Å; L10-F80 HydrophobicContact CD1-CE2 3.39Å; L10-F80 HydrophobicContact CD1-CZ 3.44Å; L10-F80 VanDerWaalsContact CD1-CZ 3.44Å; L10-L137 HydrophobicContact CB-CD2 3.72Å; L10-L137 HydrophobicContact CD1-CD2 4.3Å
11	Q	98.3	Very high	96.7	Very high	54 Å²	54	69.4 Å²	69.4	25%	0.252	34%	0.339	S	S	.	.	H	α-helix	trans	-68.1	-46.2	177.3	-166.9	-172.1	-64.1	0	0	112.1	L7 D8 A13 I14 L137 L140	L7-Q11 WeakPolarHBondContact O-CB 3.33Å; L7-Q11 PolarHBondContact O-N 3.3Å; D8-Q11 WeakPolarHBondContact O-CB 3.34Å; D8-Q11 PolarHBondContact O-N 3.13Å; D8-Q11 VanDerWaalsContact O-N 3.13Å; Q11-A13 VanDerWaalsContact C-N 3.29Å; Q11-A13 PolarHBondContact O-N 2.77Å; Q11-I14 WeakPolarHBondContact O-CB 3.49Å; Q11-I14 PolarHBondContact O-N 2.99Å; Q11-L137 HydrophobicContact CB-CD1 3.87Å; Q11-L137 HydrophobicContact CG-CD1 4.17Å; Q11-L140 HydrophobicContact CG-CD2 3.8Å
12	Q	97.8	Very high	96.8	Very high	107 Å²	107	62.5 Å²	62.5	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-60.7	-40.3	178.6	-70.8	174.5	26.8	0	0	111.3	D8 I14 E15	D8-Q12 VanDerWaalsContact O-CG 3.31Å; D8-Q12 WeakPolarHBondContact O-CG 3.4Å; D8-Q12 PolarHBondContact O-N 3.26Å; D8-Q12 PolarHBondContact OD2-NE2 2.98Å; Q12-I14 PolarHBondContact O-N 2.98Å; Q12-E15 WeakPolarHBondContact O-CB 3.37Å; Q12-E15 PolarHBondContact O-N 3.48Å
13	A	98.1	Very high	96.5	Very high	5 Å²	5	66.3 Å²	66.3	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-58.9	-22.5	178.5	0	0	0	0	0	113.7	K9 Q11 E15 D16 Y17 W37	K9-A13 WeakPolarHBondContact O-CB 3.27Å; K9-A13 PolarHBondContact O-N 3.14Å; K9-A13 VanDerWaalsContact O-N 3.09Å; Q11-A13 VanDerWaalsContact C-N 3.29Å; Q11-A13 PolarHBondContact O-N 2.77Å; A13-E15 PolarHBondContact O-N 3.49Å; A13-D16 PolarHBondContact O-N 2.87Å; A13-D16 VanDerWaalsContact O-N 3.1Å; A13-Y17 WeakPolarHBondContact O-CD2 3.41Å; A13-W37 HydrophobicContact CB-CD2 4.26Å; A13-W37 HydrophobicContact CB-CE3 3.84Å; A13-W37 HydrophobicContact CB-CH2 3.25Å; A13-W37 HydrophobicContact CB-CZ2 3.7Å; A13-W37 HydrophobicContact CB-CZ3 3.33Å
14	I	98.3	Very high	96	Very high	10 Å²	10	71.5 Å²	71.5	5%	0.051	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-58.6	-31.9	175.7	-64.5	171	0	0	0	111.3	Q11 Q12 D16 Y17 L137 L140 L141 T144 Y145	Q11-I14 WeakPolarHBondContact O-CB 3.49Å; Q11-I14 PolarHBondContact O-N 2.99Å; Q12-I14 PolarHBondContact O-N 2.98Å; I14-D16 VanDerWaalsContact C-N 3.26Å; I14-D16 PolarHBondContact O-N 3.25Å; I14-Y17 CarbonylContact O-C 3.55Å; I14-Y17 PolarHBondContact O-N 3.02Å; I14-Y17 VanDerWaalsContact O-N 3.13Å; I14-L137 HydrophobicContact CD1-CD1 3.59Å; I14-L140 HydrophobicContact CD1-CB 4.41Å; I14-L140 HydrophobicContact CD1-CD2 3.79Å; I14-L140 HydrophobicContact CD1-CG 3.96Å; I14-L141 HydrophobicContact CD1-CD2 3.49Å; I14-L141 VanDerWaalsContact CD1-CD2 3.49Å; I14-L141 HydrophobicContact CD1-CG 3.83Å; I14-L141 HydrophobicContact CG1-CD2 3.82Å; I14-T144 HydrophobicContact CG2-CG2 4.01Å; I14-Y145 HydrophobicContact CG2-CE2 4.39Å
15	E	97.2	Very high	95.6	Very high	164 Å²	164	77.3 Å²	77.3	77%	0.766	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-62.8	-32.3	178.3	-61.8	-177.7	-175.1	0	0	112.4	Q12 A13 Y17	Q12-E15 WeakPolarHBondContact O-CB 3.37Å; Q12-E15 PolarHBondContact O-N 3.48Å; A13-E15 PolarHBondContact O-N 3.49Å; E15-Y17 VanDerWaalsContact C-N 3.27Å; E15-Y17 PolarHBondContact O-N 3.14Å
16	D	97.5	Very high	95.1	Very high	119 Å²	119	78.2 Å²	78.2	64%	0.636	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-76.6	-13.3	178.5	-62.7	-40.8	0	0	0	113.1	A13 I14 P18	A13-D16 PolarHBondContact O-N 2.87Å; A13-D16 VanDerWaalsContact O-N 3.1Å; I14-D16 VanDerWaalsContact C-N 3.26Å; I14-D16 PolarHBondContact O-N 3.25Å; D16-P18 VanDerWaalsContact C-CD 3.4Å; D16-P18 WeakPolarHBondContact O-CD 3.32Å
17	Y	97.6	Very high	94.9	Very high	46 Å²	46	78.5 Å²	78.5	18%	0.18	39%	0.386	C	S	.	.	S	Bend	trans	-123.6	65	-179.5	-56.6	-81.1	0	0	0	111.1	A13 I14 E15 R33 W34 W37 Y145	A13-Y17 WeakPolarHBondContact O-CD2 3.41Å; I14-Y17 CarbonylContact O-C 3.55Å; I14-Y17 PolarHBondContact O-N 3.02Å; I14-Y17 VanDerWaalsContact O-N 3.13Å; E15-Y17 VanDerWaalsContact C-N 3.27Å; E15-Y17 PolarHBondContact O-N 3.14Å; Y17-R33 HydrophobicContact CD1-CB 3.48Å; Y17-R33 VanDerWaalsContact CD1-CB 3.48Å; Y17-R33 HydrophobicContact CE1-CB 3.91Å; Y17-R33 HydrophobicContact CG-CB 4.43Å; Y17-W34 HydrophobicContact CD2-CB 3.9Å; Y17-W34 AromaticContact CD2-CD1 3.72Å; Y17-W34 HydrophobicContact CD2-CG 4.2Å; Y17-W34 HydrophobicContact CG-CB 3.94Å; Y17-W37 HydrophobicContact CE1-CB 4.48Å; Y17-W37 HydrophobicContact CE2-CB 3.96Å; Y17-W37 HydrophobicContact CE2-CD2 4.28Å; Y17-W37 AromaticContact CE2-CG 3.96Å; Y17-W37 HydrophobicContact CE2-CG 3.96Å; Y17-W37 AromaticContact CZ-CG 3.91Å; Y17-W37 WeakPolarHBondContact OH-CB 3.43Å; Y17-W37 VanDerWaalsContact OH-CD1 3.28Å; Y17-W37 VanDerWaalsContact OH-CG 3.28Å; Y17-Y145 WeakPolarHBondContact CB-OH 3.43Å; Y17-Y145 VanDerWaalsContact O-CE1 3.24Å; Y17-Y145 WeakPolarHBondContact O-CE1 3.42Å; Y17-Y145 PolarHBondContact O-OH 2.77Å
18	P	97.1	Very high	94.8	Very high	77 Å²	77	78.5 Å²	78.5	50%	0.5	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-62.7	150.6	-178.7	26.9	-35.5	0	0	0	111.5	D16 E20 A30 R33	D16-P18 VanDerWaalsContact C-CD 3.4Å; D16-P18 WeakPolarHBondContact O-CD 3.32Å; P18-E20 PolarHBondContact O-N 3.42Å; P18-A30 VanDerWaalsContact O-CB 3.27Å; P18-A30 WeakPolarHBondContact O-CB 3.31Å; P18-R33 PolarHBondContact O-NH2 3.41Å
19	P	96.8	Very high	94.7	Very high	65 Å²	65	81.4 Å²	81.4	42%	0.422	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-53.6	134.4	176.1	-27.1	36	0	0	0	112.3	N28 T144	P19-N28 WeakPolarHBondContact CB-ND2 3.5Å; P19-T144 HydrophobicContact CG-CG2 3.54Å; P19-T144 VanDerWaalsContact CG-O 3.26Å; P19-T144 WeakPolarHBondContact CG-O 3.4Å
20	E	94.2	Very high	94.7	Very high	69 Å²	69	78.3 Å²	78.3	32%	0.322	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-82.7	147.7	175.8	-72.6	161.6	-149.4	0	0	111	P18 Q22 N28 A30 R33	P18-E20 PolarHBondContact O-N 3.42Å; E20-Q22 PolarHBondContact O-N 2.81Å; E20-N28 PolarHBondContact N-ND2 2.89Å; E20-N28 PolarHBondContact N-OD1 3.27Å; E20-N28 PolarHBondContact O-ND2 3.32Å; E20-A30 HydrophobicContact CG-CB 4.18Å; E20-R33 IonicContact OE1-CZ 3.44Å; E20-R33 IonicContact OE1-NE 3.49Å; E20-R33 PolarHBondContact OE1-NE 2.93Å; E20-R33 IonicContact OE1-NH2 3.63Å; E20-R33 PolarHBondContact OE1-NH2 3.05Å
21	E	92.4	Very high	94.7	Very high	202 Å²	202	78.3 Å²	78.3	94%	0.944	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-67.3	120.9	164.4	-69.3	-167.4	173.5	0	0	109.2
22	Q	91.4	Very high	94.6	Very high	33 Å²	33	80.7 Å²	80.7	15%	0.154	39%	0.389	C	S	.	.			trans	-145.7	149.5	-178.7	60.5	174.1	47.2	0	0	110.8	E20 Q24 F26 G27	E20-Q22 PolarHBondContact O-N 2.81Å; Q22-Q24 VanDerWaalsContact C-N 3.28Å; Q22-Q24 PolarHBondContact NE2-O 3.39Å; Q22-Q24 VanDerWaalsContact NE2-O 3.1Å; Q22-Q24 PolarHBondContact O-N 3.13Å; Q22-F26 PolarHBondContact NE2-O 3.21Å; Q22-G27 PolarHBondContact NE2-O 2.68Å
23	P	88.8	Confident	94.6	Very high	138 Å²	138	80.2 Å²	80.2	90%	0.896	38%	0.383	S	S	*	.	S	Bend	trans	-71.4	-25	178	28.5	-35.1	0	0	0	112.7
24	Q	86.4	Confident	94.7	Very high	114 Å²	114	80 Å²	80	53%	0.533	38%	0.381	S	S	.	.			trans	-73	130.2	-176.9	-169.2	71.6	23.5	0	0	110.7	Q22 F26	Q22-Q24 VanDerWaalsContact C-N 3.28Å; Q22-Q24 PolarHBondContact NE2-O 3.39Å; Q22-Q24 VanDerWaalsContact NE2-O 3.1Å; Q22-Q24 PolarHBondContact O-N 3.13Å; Q24-F26 VanDerWaalsContact CG-O 3.26Å; Q24-F26 WeakPolarHBondContact CG-O 3.3Å
25	R	87.9	Confident	94.7	Very high	212 Å²	212	79.8 Å²	79.8	80%	0.8	38%	0.38	S	S	*	.	S	Bend	trans	-72.6	-32.3	-179.7	-65.9	-176.6	178.3	-170.3	-1.3	113.6
26	F	86.7	Confident	94.7	Very high	115 Å²	115	74.7 Å²	74.7	50%	0.504	36%	0.36	S	S	.	.	S	Bend	trans	-103.2	148.5	-177.8	-52.6	-70.8	0	0	0	110.9	Q22 Q24 E148	Q22-F26 PolarHBondContact NE2-O 3.21Å; Q24-F26 VanDerWaalsContact CG-O 3.26Å; Q24-F26 WeakPolarHBondContact CG-O 3.3Å; F26-E148 HydrophobicContact CB-CG 3.94Å; F26-E148 WeakPolarHBondContact CB-OE2 3.33Å; F26-E148 HydrophobicContact CD1-CG 4.4Å; F26-E148 HydrophobicContact CG-CG 4.46Å
27	G	93	Very high	94.8	Very high	6 Å²	6	70.9 Å²	70.9	6%	0.062	34%	0.337	C	S	.	.			trans	55.8	94.9	170.9	0	0	0	0	0	114.4	Q22 K29 R146	Q22-G27 PolarHBondContact NE2-O 2.68Å; G27-K29 PolarHBondContact O-N 3.48Å; G27-R146 WeakPolarHBondContact CA-O 3.24Å; G27-R146 PolarHBondContact N-O 2.93Å
28	N	97	Very high	94.8	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.328	C	S	.	.			trans	-70	123.5	173.4	-162.4	-63.8	0	0	0	110.7	P19 E20 A30 F31 Y145 R146	P19-N28 WeakPolarHBondContact CB-ND2 3.5Å; E20-N28 PolarHBondContact N-ND2 2.89Å; E20-N28 PolarHBondContact N-OD1 3.27Å; E20-N28 PolarHBondContact O-ND2 3.32Å; N28-A30 PolarHBondContact O-N 2.89Å; N28-A30 VanDerWaalsContact O-N 3.11Å; N28-A30 VanDerWaalsContact OD1-CB 3.22Å; N28-A30 WeakPolarHBondContact OD1-CB 3.49Å; N28-A30 PolarHBondContact OD1-N 2.84Å; N28-F31 WeakPolarHBondContact O-CB 3.42Å; N28-F31 PolarHBondContact O-N 2.91Å; N28-F31 VanDerWaalsContact O-N 3.08Å; N28-Y145 HydrophobicContact CB-CD1 4.19Å; N28-Y145 WeakPolarHBondContact CB-O 3.18Å; N28-Y145 PolarHBondContact N-O 3.08Å; N28-R146 PolarHBondContact ND2-NH2 2.94Å
29	K	95.9	Very high	94.8	Very high	108 Å²	108	69.8 Å²	69.8	47%	0.47	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.1	-177.5	-69.9	177.8	-177.8	177.7	0	113.8	G27 F31 R32	G27-K29 PolarHBondContact O-N 3.48Å; K29-F31 PolarHBondContact O-N 3.25Å; K29-F31 VanDerWaalsContact O-N 3.15Å; K29-R32 VanDerWaalsContact O-CB 3.3Å; K29-R32 WeakPolarHBondContact O-CB 3.34Å; K29-R32 PolarHBondContact O-N 2.96Å
30	A	97.4	Very high	94.9	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-56	-28.2	174	0	0	0	0	0	112.9	P18 E20 N28 R32 R33 W34 Y145	P18-A30 VanDerWaalsContact O-CB 3.27Å; P18-A30 WeakPolarHBondContact O-CB 3.31Å; E20-A30 HydrophobicContact CG-CB 4.18Å; N28-A30 PolarHBondContact O-N 2.89Å; N28-A30 VanDerWaalsContact O-N 3.11Å; N28-A30 VanDerWaalsContact OD1-CB 3.22Å; N28-A30 WeakPolarHBondContact OD1-CB 3.49Å; N28-A30 PolarHBondContact OD1-N 2.84Å; A30-R32 PolarHBondContact O-N 3.12Å; A30-R33 WeakPolarHBondContact O-CB 3.14Å; A30-R33 PolarHBondContact O-N 2.89Å; A30-W34 PolarHBondContact O-N 3.49Å; A30-Y145 HydrophobicContact CB-CD1 4.03Å; A30-Y145 HydrophobicContact CB-CE1 3.68Å
31	F	98.1	Very high	95.1	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-54.8	-35.8	173.1	177.5	-111.8	0	0	0	112.4	N28 K29 R33 W34 F35 F80 I86 Y145 M147	N28-F31 WeakPolarHBondContact O-CB 3.42Å; N28-F31 PolarHBondContact O-N 2.91Å; N28-F31 VanDerWaalsContact O-N 3.08Å; K29-F31 PolarHBondContact O-N 3.25Å; K29-F31 VanDerWaalsContact O-N 3.15Å; F31-R33 VanDerWaalsContact C-N 3.27Å; F31-R33 PolarHBondContact O-N 2.9Å; F31-W34 HydrophobicContact CD2-CE3 4.2Å; F31-W34 AromaticContact CE2-CE3 3.85Å; F31-W34 HydrophobicContact CE2-CE3 3.85Å; F31-W34 HydrophobicContact CE2-CZ3 4.05Å; F31-W34 PolarHBondContact O-N 3.49Å; F31-F35 HydrophobicContact CE1-CB 4.32Å; F31-F35 HydrophobicContact CE1-CD2 4.12Å; F31-F35 HydrophobicContact CE1-CG 4.45Å; F31-F35 HydrophobicContact CE2-CD2 4.37Å; F31-F35 HydrophobicContact CZ-CB 4.28Å; F31-F35 AromaticContact CZ-CD2 3.66Å; F31-F35 HydrophobicContact CZ-CD2 3.66Å; F31-F35 HydrophobicContact CZ-CE2 4.45Å; F31-F35 HydrophobicContact CZ-CG 4.34Å; F31-F35 VanDerWaalsContact O-CB 3.28Å; F31-F35 WeakPolarHBondContact O-CB 3.39Å; F31-F35 PolarHBondContact O-N 2.78Å; F31-F80 WeakPolarHBondContact CZ-O 3.5Å; F31-I86 HydrophobicContact CB-CG2 3.92Å; F31-I86 HydrophobicContact CD1-CB 4.34Å; F31-I86 HydrophobicContact CD1-CG1 4.33Å; F31-I86 HydrophobicContact CD1-CG2 3.84Å; F31-I86 HydrophobicContact CG-CG2 4.09Å; F31-Y145 HydrophobicContact CB-CD1 4.15Å; F31-Y145 HydrophobicContact CB-CD2 3.9Å; F31-Y145 HydrophobicContact CB-CE2 4.49Å; F31-Y145 HydrophobicContact CB-CG 3.7Å; F31-Y145 AromaticContact CD2-CD2 3.63Å; F31-Y145 HydrophobicContact CD2-CD2 3.63Å; F31-Y145 HydrophobicContact CD2-CE2 4.1Å; F31-Y145 HydrophobicContact CD2-CG 4.27Å; F31-Y145 HydrophobicContact CG-CD2 4.23Å; F31-Y145 HydrophobicContact CG-CG 4.44Å; F31-M147 HydrophobicContact CD1-CE 4.43Å; F31-M147 HydrophobicContact CD2-CE 4.24Å; F31-M147 HydrophobicContact CD2-SD 4.33Å; F31-M147 HydrophobicContact CE1-CE 3.88Å; F31-M147 HydrophobicContact CE2-CE 3.68Å; F31-M147 HydrophobicContact CE2-SD 4.09Å; F31-M147 HydrophobicContact CZ-CE 3.48Å; F31-M147 VanDerWaalsContact CZ-CE 3.48Å; F31-M147 HydrophobicContact CZ-SD 4.48Å
32	R	97.6	Very high	95.3	Very high	104 Å²	104	62.8 Å²	62.8	39%	0.392	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-36.4	179.1	-65.2	-179.3	177.3	161.8	1.3	111.9	K29 A30 T36 S83 T84	K29-R32 VanDerWaalsContact O-CB 3.3Å; K29-R32 WeakPolarHBondContact O-CB 3.34Å; K29-R32 PolarHBondContact O-N 2.96Å; A30-R32 PolarHBondContact O-N 3.12Å; R32-T36 WeakPolarHBondContact O-CB 3.26Å; R32-T36 PolarHBondContact O-N 3.36Å; R32-T36 PolarHBondContact O-OG1 3.14Å; R32-S83 VanDerWaalsContact CG-O 3.23Å; R32-S83 WeakPolarHBondContact CG-O 3.28Å; R32-S83 PolarHBondContact NE-O 3.05Å; R32-T84 PolarHBondContact NH2-O 3.13Å
33	R	97.9	Very high	95.6	Very high	98 Å²	98	65.5 Å²	65.5	37%	0.37	31%	0.305	S	S	.	.	H	α-helix	trans	-69.7	-47.6	177.1	-64.2	-170.3	-75	120.8	1.1	110.6	Y17 P18 E20 A30 F31 F35 T36 W37	Y17-R33 HydrophobicContact CD1-CB 3.48Å; Y17-R33 VanDerWaalsContact CD1-CB 3.48Å; Y17-R33 HydrophobicContact CE1-CB 3.91Å; Y17-R33 HydrophobicContact CG-CB 4.43Å; P18-R33 PolarHBondContact O-NH2 3.41Å; E20-R33 IonicContact OE1-CZ 3.44Å; E20-R33 IonicContact OE1-NE 3.49Å; E20-R33 PolarHBondContact OE1-NE 2.93Å; E20-R33 IonicContact OE1-NH2 3.63Å; E20-R33 PolarHBondContact OE1-NH2 3.05Å; A30-R33 WeakPolarHBondContact O-CB 3.14Å; A30-R33 PolarHBondContact O-N 2.89Å; F31-R33 VanDerWaalsContact C-N 3.27Å; F31-R33 PolarHBondContact O-N 2.9Å; R33-F35 VanDerWaalsContact C-N 3.32Å; R33-F35 PolarHBondContact O-N 3.26Å; R33-T36 PolarHBondContact O-N 3.43Å; R33-W37 PolarHBondContact O-N 3.09Å
34	W	98.6	Very high	95.9	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.3	-43.9	174.4	-178.5	91.6	0	0	0	111.9	L10 Y17 A30 F31 W37 L38 F80 L141 Y145	L10-W34 HydrophobicContact CB-CZ2 4.26Å; L10-W34 PolarHBondContact O-NE1 3.33Å; Y17-W34 HydrophobicContact CD2-CB 3.9Å; Y17-W34 AromaticContact CD2-CD1 3.72Å; Y17-W34 HydrophobicContact CD2-CG 4.2Å; Y17-W34 HydrophobicContact CG-CB 3.94Å; A30-W34 PolarHBondContact O-N 3.49Å; F31-W34 HydrophobicContact CD2-CE3 4.2Å; F31-W34 AromaticContact CE2-CE3 3.85Å; F31-W34 HydrophobicContact CE2-CE3 3.85Å; F31-W34 HydrophobicContact CE2-CZ3 4.05Å; F31-W34 PolarHBondContact O-N 3.49Å; W34-W37 WeakPolarHBondContact O-CB 3.03Å; W34-W37 PolarHBondContact O-N 2.96Å; W34-L38 HydrophobicContact CH2-CD2 3.9Å; W34-L38 HydrophobicContact CZ3-CD2 3.86Å; W34-L38 PolarHBondContact O-N 2.64Å; W34-F80 HydrophobicContact CH2-CB 3.83Å; W34-F80 HydrophobicContact CH2-CD1 4.32Å; W34-F80 HydrophobicContact CH2-CD2 4.37Å; W34-F80 AromaticContact CH2-CG 3.91Å; W34-F80 HydrophobicContact CH2-CG 3.91Å; W34-F80 HydrophobicContact CZ3-CB 3.83Å; W34-F80 HydrophobicContact CZ3-CG 4.41Å; W34-L141 HydrophobicContact CD2-CD2 3.96Å; W34-L141 HydrophobicContact CE3-CD2 4.01Å; W34-L141 HydrophobicContact CH2-CD1 3.73Å; W34-L141 HydrophobicContact CH2-CD2 4.1Å; W34-L141 HydrophobicContact CZ2-CD1 4.24Å; W34-L141 HydrophobicContact CZ2-CD2 4.03Å; W34-L141 HydrophobicContact CZ3-CD1 4Å; W34-L141 HydrophobicContact CZ3-CD2 4.09Å; W34-Y145 HydrophobicContact CB-CE2 4.28Å; W34-Y145 HydrophobicContact CG-CE2 4.37Å
35	F	98.5	Very high	96.4	Very high	5 Å²	5	59 Å²	59	2%	0.022	26%	0.263	C	S	.	.	H	α-helix	trans	-68.2	-38.4	179.1	-165.7	-86.7	0	0	0	112.3	F31 R33 W37 L38 Q39 V77 G81	F31-F35 HydrophobicContact CE1-CB 4.32Å; F31-F35 HydrophobicContact CE1-CD2 4.12Å; F31-F35 HydrophobicContact CE1-CG 4.45Å; F31-F35 HydrophobicContact CE2-CD2 4.37Å; F31-F35 HydrophobicContact CZ-CB 4.28Å; F31-F35 AromaticContact CZ-CD2 3.66Å; F31-F35 HydrophobicContact CZ-CD2 3.66Å; F31-F35 HydrophobicContact CZ-CE2 4.45Å; F31-F35 HydrophobicContact CZ-CG 4.34Å; F31-F35 VanDerWaalsContact O-CB 3.28Å; F31-F35 WeakPolarHBondContact O-CB 3.39Å; F31-F35 PolarHBondContact O-N 2.78Å; R33-F35 VanDerWaalsContact C-N 3.32Å; R33-F35 PolarHBondContact O-N 3.26Å; F35-W37 VanDerWaalsContact C-N 3.34Å; F35-L38 WeakPolarHBondContact O-CB 3.17Å; F35-L38 PolarHBondContact O-N 3.34Å; F35-Q39 HydrophobicContact CD1-CG 3.88Å; F35-Q39 VanDerWaalsContact CE1-CD 3.44Å; F35-Q39 HydrophobicContact CE1-CG 3.7Å; F35-Q39 WeakPolarHBondContact O-CG 3.47Å; F35-Q39 PolarHBondContact O-N 3.46Å; F35-V77 HydrophobicContact CE1-CG1 4.1Å; F35-V77 HydrophobicContact CZ-CG1 3.76Å; F35-G81 WeakPolarHBondContact CE2-O 3.17Å
36	T	98.4	Very high	96.8	Very high	58 Å²	58	49 Å²	49	36%	0.356	23%	0.225	S	C	.	.	H	α-helix	trans	-61.5	-44.7	174.2	-58.3	0	0	0	0	110.4	R32 R33 L38 Q39 E40	R32-T36 WeakPolarHBondContact O-CB 3.26Å; R32-T36 PolarHBondContact O-N 3.36Å; R32-T36 PolarHBondContact O-OG1 3.14Å; R33-T36 PolarHBondContact O-N 3.43Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 3.4Å; T36-Q39 WeakPolarHBondContact O-CB 3.38Å; T36-Q39 PolarHBondContact O-N 2.89Å; T36-Q39 VanDerWaalsContact O-N 3.15Å; T36-E40 HydrophobicContact CG2-CG 4.43Å; T36-E40 WeakPolarHBondContact O-CG 3.47Å; T36-E40 PolarHBondContact O-N 3.45Å
37	W	98.5	Very high	97.2	Very high	38 Å²	38	45.3 Å²	45.3	14%	0.144	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-45.1	173.7	167.4	83.9	0	0	0	112.1	L10 A13 Y17 R33 W34 F35 Q39 E40 N41 I45	L10-W37 HydrophobicContact CD2-CH2 3.87Å; L10-W37 HydrophobicContact CD2-CZ3 3.67Å; A13-W37 HydrophobicContact CB-CD2 4.26Å; A13-W37 HydrophobicContact CB-CE3 3.84Å; A13-W37 HydrophobicContact CB-CH2 3.25Å; A13-W37 HydrophobicContact CB-CZ2 3.7Å; A13-W37 HydrophobicContact CB-CZ3 3.33Å; Y17-W37 HydrophobicContact CE1-CB 4.48Å; Y17-W37 HydrophobicContact CE2-CB 3.96Å; Y17-W37 HydrophobicContact CE2-CD2 4.28Å; Y17-W37 AromaticContact CE2-CG 3.96Å; Y17-W37 HydrophobicContact CE2-CG 3.96Å; Y17-W37 AromaticContact CZ-CG 3.91Å; Y17-W37 WeakPolarHBondContact OH-CB 3.43Å; Y17-W37 VanDerWaalsContact OH-CD1 3.28Å; Y17-W37 VanDerWaalsContact OH-CG 3.28Å; R33-W37 PolarHBondContact O-N 3.09Å; W34-W37 WeakPolarHBondContact O-CB 3.03Å; W34-W37 PolarHBondContact O-N 2.96Å; F35-W37 VanDerWaalsContact C-N 3.34Å; W37-Q39 VanDerWaalsContact C-N 3.32Å; W37-Q39 PolarHBondContact O-N 3.15Å; W37-E40 PolarHBondContact O-N 3.42Å; W37-N41 PolarHBondContact NE1-ND2 3.27Å; W37-N41 WeakPolarHBondContact O-CB 3.36Å; W37-N41 PolarHBondContact O-N 3.19Å; W37-N41 PolarHBondContact O-ND2 3.43Å; W37-I45 HydrophobicContact CH2-CD1 3.75Å; W37-I45 HydrophobicContact CZ2-CD1 3.98Å; W37-I45 HydrophobicContact CZ3-CD1 4.38Å
38	L	98.5	Very high	97.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57	-47.1	174.7	168.1	61.6	0	0	0	110.8	L10 W34 F35 T36 E40 N41 A42 V77 F80	L10-L38 HydrophobicContact CD1-CD1 4.48Å; L10-L38 HydrophobicContact CD2-CD1 3.68Å; W34-L38 HydrophobicContact CH2-CD2 3.9Å; W34-L38 HydrophobicContact CZ3-CD2 3.86Å; W34-L38 PolarHBondContact O-N 2.64Å; F35-L38 WeakPolarHBondContact O-CB 3.17Å; F35-L38 PolarHBondContact O-N 3.34Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 3.4Å; L38-E40 PolarHBondContact O-N 3.22Å; L38-N41 PolarHBondContact O-N 2.83Å; L38-A42 WeakPolarHBondContact O-CA 3.49Å; L38-A42 VanDerWaalsContact O-CB 3.24Å; L38-A42 WeakPolarHBondContact O-CB 3.26Å; L38-A42 PolarHBondContact O-N 2.92Å; L38-V77 HydrophobicContact CG-CG2 4.28Å; L38-F80 HydrophobicContact CD2-CB 4.28Å; L38-F80 HydrophobicContact CD2-CD2 3.74Å; L38-F80 HydrophobicContact CD2-CG 4.36Å
39	Q	97.9	Very high	97.2	Very high	100 Å²	100	46.9 Å²	46.9	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-43	178.4	-70.8	-177.5	-68.6	0	0	112.7	F35 T36 W37 N41 V77	F35-Q39 HydrophobicContact CD1-CG 3.88Å; F35-Q39 VanDerWaalsContact CE1-CD 3.44Å; F35-Q39 HydrophobicContact CE1-CG 3.7Å; F35-Q39 WeakPolarHBondContact O-CG 3.47Å; F35-Q39 PolarHBondContact O-N 3.46Å; T36-Q39 WeakPolarHBondContact O-CB 3.38Å; T36-Q39 PolarHBondContact O-N 2.89Å; T36-Q39 VanDerWaalsContact O-N 3.15Å; W37-Q39 VanDerWaalsContact C-N 3.32Å; W37-Q39 PolarHBondContact O-N 3.15Å; Q39-N41 VanDerWaalsContact C-N 3.34Å; Q39-V77 HydrophobicContact CG-CG1 3.73Å
40	E	98	Very high	97.1	Very high	147 Å²	147	41.9 Å²	41.9	69%	0.687	20%	0.198	S	C	*	.	H	α-helix	trans	-70.7	-28.7	-179.2	-70.5	173.2	170	0	0	112.9	T36 W37 L38	T36-E40 HydrophobicContact CG2-CG 4.43Å; T36-E40 WeakPolarHBondContact O-CG 3.47Å; T36-E40 PolarHBondContact O-N 3.45Å; W37-E40 PolarHBondContact O-N 3.42Å; L38-E40 PolarHBondContact O-N 3.22Å
41	N	98.2	Very high	96.4	Very high	40 Å²	40	48.1 Å²	48.1	21%	0.214	23%	0.227	C	C	.	.	H	α-helix	trans	-109.8	-1.6	-173.4	-64.7	-93.2	0	0	0	113.6	W37 L38 Q39 I43 E44 I45	W37-N41 PolarHBondContact NE1-ND2 3.27Å; W37-N41 WeakPolarHBondContact O-CB 3.36Å; W37-N41 PolarHBondContact O-N 3.19Å; W37-N41 PolarHBondContact O-ND2 3.43Å; L38-N41 PolarHBondContact O-N 2.83Å; Q39-N41 VanDerWaalsContact C-N 3.34Å; N41-I43 VanDerWaalsContact C-N 3.33Å; N41-I43 PolarHBondContact O-N 3.27Å; N41-E44 PolarHBondContact O-N 3.49Å; N41-I45 HydrophobicContact CB-CD1 3.8Å; N41-I45 HydrophobicContact CB-CG1 4.26Å; N41-I45 WeakPolarHBondContact O-CB 3.3Å; N41-I45 VanDerWaalsContact O-CG1 3.23Å; N41-I45 WeakPolarHBondContact O-CG1 3.39Å; N41-I45 PolarHBondContact O-N 3.4Å
42	A	97.6	Very high	95.7	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-56.4	-43.8	-172.4	0	0	0	0	0	113.1	L38 I45 C46 V77	L38-A42 WeakPolarHBondContact O-CA 3.49Å; L38-A42 VanDerWaalsContact O-CB 3.24Å; L38-A42 WeakPolarHBondContact O-CB 3.26Å; L38-A42 PolarHBondContact O-N 2.92Å; A42-I45 PolarHBondContact O-N 2.92Å; A42-C46 VanDerWaalsContact O-CB 3.28Å; A42-C46 WeakPolarHBondContact O-CB 3.45Å; A42-C46 PolarHBondContact O-N 3.45Å; A42-V77 HydrophobicContact CB-CG2 3.48Å; A42-V77 VanDerWaalsContact CB-CG2 3.48Å
43	I	96.6	Very high	95	Very high	89 Å²	89	52.2 Å²	52.2	46%	0.456	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-50.7	179.4	-67	172.2	0	0	0	110.6	N41 I45 C46 S47 V69 N70 S73	N41-I43 VanDerWaalsContact C-N 3.33Å; N41-I43 PolarHBondContact O-N 3.27Å; I43-I45 VanDerWaalsContact C-N 3.35Å; I43-I45 PolarHBondContact O-N 3.43Å; I43-C46 PolarHBondContact O-N 3.43Å; I43-S47 PolarHBondContact O-N 3.1Å; I43-S47 PolarHBondContact O-OG 2.92Å; I43-S47 VanDerWaalsContact O-OG 3.11Å; I43-V69 HydrophobicContact CG2-CG1 3.9Å; I43-N70 VanDerWaalsContact CD1-OD1 3.3Å; I43-N70 WeakPolarHBondContact CD1-OD1 3.22Å; I43-S73 WeakPolarHBondContact CA-OG 3.43Å
44	E	96	Very high	94.4	Very high	117 Å²	117	49 Å²	49	55%	0.547	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-43.9	179.4	-172.2	-161.9	127.1	0	0	111.5	K9 N41 S47	K9-E44 IonicContact NZ-OE1 3.37Å; K9-E44 PolarHBondContact NZ-OE1 3.21Å; N41-E44 PolarHBondContact O-N 3.49Å; E44-S47 WeakPolarHBondContact O-CB 3.45Å; E44-S47 PolarHBondContact O-N 3.45Å
45	I	96.6	Very high	93.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-46	178.1	-67.2	169	0	0	0	110.1	V6 K9 L10 W37 N41 A42 I43 S47 I48 L76	V6-I45 HydrophobicContact CB-CG2 4.12Å; V6-I45 HydrophobicContact CG1-CG2 3.56Å; V6-I45 HydrophobicContact CG2-CG2 3.81Å; V6-I45 VanDerWaalsContact CG2-O 3.27Å; V6-I45 WeakPolarHBondContact CG2-O 3.09Å; K9-I45 HydrophobicContact CD-CG1 4.07Å; L10-I45 HydrophobicContact CD2-CD1 3.89Å; W37-I45 HydrophobicContact CH2-CD1 3.75Å; W37-I45 HydrophobicContact CZ2-CD1 3.98Å; W37-I45 HydrophobicContact CZ3-CD1 4.38Å; N41-I45 HydrophobicContact CB-CD1 3.8Å; N41-I45 HydrophobicContact CB-CG1 4.26Å; N41-I45 WeakPolarHBondContact O-CB 3.3Å; N41-I45 VanDerWaalsContact O-CG1 3.23Å; N41-I45 WeakPolarHBondContact O-CG1 3.39Å; N41-I45 PolarHBondContact O-N 3.4Å; A42-I45 PolarHBondContact O-N 2.92Å; I43-I45 VanDerWaalsContact C-N 3.35Å; I43-I45 PolarHBondContact O-N 3.43Å; I45-S47 VanDerWaalsContact C-N 3.31Å; I45-S47 PolarHBondContact O-N 3.09Å; I45-I48 WeakPolarHBondContact O-CB 3.36Å; I45-I48 WeakPolarHBondContact O-CG1 3.35Å; I45-I48 PolarHBondContact O-N 3.14Å; I45-L76 HydrophobicContact CG2-CD2 4.38Å
46	C	96	Very high	93.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-35.1	177.9	-83.9	0	0	0	0	112.4	A42 I43 I48 I49 F50 V69 S73 L76	A42-C46 VanDerWaalsContact O-CB 3.28Å; A42-C46 WeakPolarHBondContact O-CB 3.45Å; A42-C46 PolarHBondContact O-N 3.45Å; I43-C46 PolarHBondContact O-N 3.43Å; C46-I48 PolarHBondContact O-N 2.79Å; C46-I48 VanDerWaalsContact O-N 3.08Å; C46-I49 WeakPolarHBondContact O-CB 3.25Å; C46-I49 PolarHBondContact O-N 3.35Å; C46-F50 VanDerWaalsContact O-CD2 3.31Å; C46-F50 WeakPolarHBondContact O-CD2 3.5Å; C46-V69 HydrophobicContact CB-CG1 4.35Å; C46-S73 WeakPolarHBondContact CB-OG 3.42Å; C46-L76 WeakPolarHBondContact SG-CD2 3.24Å
47	S	94.4	Very high	93.3	Very high	38 Å²	38	60 Å²	60	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-55.9	-25.9	177.3	-69	0	0	0	0	113.6	I43 E44 I45 I49 F50 H51 Y65	I43-S47 PolarHBondContact O-N 3.1Å; I43-S47 PolarHBondContact O-OG 2.92Å; I43-S47 VanDerWaalsContact O-OG 3.11Å; E44-S47 WeakPolarHBondContact O-CB 3.45Å; E44-S47 PolarHBondContact O-N 3.45Å; I45-S47 VanDerWaalsContact C-N 3.31Å; I45-S47 PolarHBondContact O-N 3.09Å; S47-I49 PolarHBondContact O-N 2.96Å; S47-F50 PolarHBondContact O-N 2.95Å; S47-F50 VanDerWaalsContact O-N 3.12Å; S47-H51 PolarHBondContact O-N 3.28Å; S47-Y65 PolarHBondContact OG-OH 3.06Å
48	I	94.8	Very high	93.1	Very high	36 Å²	36	58.8 Å²	58.8	19%	0.185	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-56.3	-39.3	172.6	-60.5	172.1	0	0	0	111	F2 E5 V6 K9 I45 C46 F50 H51	F2-I48 HydrophobicContact CB-CG2 4.34Å; F2-I48 HydrophobicContact CD1-CG2 3.99Å; E5-I48 HydrophobicContact CG-CG2 4.39Å; V6-I48 HydrophobicContact CG2-CB 4.23Å; K9-I48 HydrophobicContact CD-CD1 4.24Å; I45-I48 WeakPolarHBondContact O-CB 3.36Å; I45-I48 WeakPolarHBondContact O-CG1 3.35Å; I45-I48 PolarHBondContact O-N 3.14Å; C46-I48 PolarHBondContact O-N 2.79Å; C46-I48 VanDerWaalsContact O-N 3.08Å; I48-F50 VanDerWaalsContact C-N 3.26Å; I48-F50 PolarHBondContact O-N 3.07Å; I48-H51 VanDerWaalsContact O-CB 3.23Å; I48-H51 WeakPolarHBondContact O-CB 3.3Å; I48-H51 PolarHBondContact O-N 2.67Å
49	I	95.4	Very high	92.8	Very high	4 Å²	4	65 Å²	65	2%	0.021	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-69.8	-27.2	-178.2	-62.1	162.2	0	0	0	112	F2 V3 V6 C46 S47 H51 F99 L103 I108	F2-I49 HydrophobicContact CB-CB 4.35Å; F2-I49 HydrophobicContact CB-CG1 4.11Å; V3-I49 HydrophobicContact CG2-CD1 4.18Å; V3-I49 HydrophobicContact CG2-CG1 4.27Å; V3-I49 HydrophobicContact CG2-CG2 4.27Å; V6-I49 HydrophobicContact CB-CD1 4.27Å; V6-I49 HydrophobicContact CG2-CD1 3.73Å; V6-I49 HydrophobicContact CG2-CG1 3.71Å; C46-I49 WeakPolarHBondContact O-CB 3.25Å; C46-I49 PolarHBondContact O-N 3.35Å; S47-I49 PolarHBondContact O-N 2.96Å; I49-H51 VanDerWaalsContact C-N 3.29Å; I49-F99 HydrophobicContact CD1-CE2 4.03Å; I49-F99 HydrophobicContact CD1-CZ 3.52Å; I49-L103 HydrophobicContact CD1-CD1 4.43Å; I49-L103 HydrophobicContact CG2-CD1 4.01Å; I49-L103 HydrophobicContact CG2-CD2 3.68Å; I49-L103 HydrophobicContact CG2-CG 4.48Å; I49-I108 HydrophobicContact CG2-CG2 3.89Å
50	F	93.8	Very high	92.4	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.009	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-88.7	3.6	-179.2	-67.2	-111.7	0	0	0	112.3	C46 S47 I48 D52 H53 G54 F58 Y65 A68 V69 V72 L103 L106 I108	C46-F50 VanDerWaalsContact O-CD2 3.31Å; C46-F50 WeakPolarHBondContact O-CD2 3.5Å; S47-F50 PolarHBondContact O-N 2.95Å; S47-F50 VanDerWaalsContact O-N 3.12Å; I48-F50 VanDerWaalsContact C-N 3.26Å; I48-F50 PolarHBondContact O-N 3.07Å; F50-D52 VanDerWaalsContact C-N 3.3Å; F50-D52 PolarHBondContact O-N 2.9Å; F50-H53 PolarHBondContact O-N 3.27Å; F50-G54 PolarHBondContact O-N 3.37Å; F50-F58 HydrophobicContact CD1-CE2 4.06Å; F50-F58 AromaticContact CD1-CZ 3.67Å; F50-F58 HydrophobicContact CD1-CZ 3.67Å; F50-F58 AromaticContact CE1-CE2 3.8Å; F50-F58 HydrophobicContact CE1-CE2 3.8Å; F50-F58 AromaticContact CE1-CZ 3.57Å; F50-F58 HydrophobicContact CE1-CZ 3.57Å; F50-Y65 HydrophobicContact CB-CE2 3.92Å; F50-Y65 HydrophobicContact CD1-CD2 4.27Å; F50-Y65 AromaticContact CD1-CE2 3.95Å; F50-Y65 HydrophobicContact CD1-CE2 3.95Å; F50-Y65 HydrophobicContact CG-CE2 4.15Å; F50-A68 HydrophobicContact CE1-CB 4.2Å; F50-V69 HydrophobicContact CD1-CG2 3.97Å; F50-V69 HydrophobicContact CD2-CG2 4.05Å; F50-V69 HydrophobicContact CE1-CG2 3.9Å; F50-V69 HydrophobicContact CE2-CG2 4Å; F50-V69 HydrophobicContact CG-CG2 4.06Å; F50-V69 HydrophobicContact CZ-CG2 3.92Å; F50-V72 HydrophobicContact CE2-CB 4.45Å; F50-V72 HydrophobicContact CE2-CG1 4.27Å; F50-V72 HydrophobicContact CZ-CB 4.26Å; F50-V72 HydrophobicContact CZ-CG1 4.48Å; F50-V72 HydrophobicContact CZ-CG2 4.06Å; F50-L103 HydrophobicContact CE2-CD2 4.41Å; F50-L106 HydrophobicContact CE1-CD1 3.97Å; F50-L106 HydrophobicContact CZ-CD1 3.93Å; F50-I108 HydrophobicContact CD1-CD1 3.57Å; F50-I108 HydrophobicContact CD2-CD1 4.24Å; F50-I108 HydrophobicContact CE1-CD1 3.48Å; F50-I108 VanDerWaalsContact CE1-CD1 3.48Å; F50-I108 HydrophobicContact CE2-CD1 4.16Å; F50-I108 HydrophobicContact CG-CD1 3.96Å; F50-I108 HydrophobicContact CZ-CD1 3.79Å
51	H	83.9	Confident	92.2	Very high	132 Å²	132	60.6 Å²	60.6	61%	0.611	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-48.8	-174.6	177.2	-86.5	0	0	0	113.1	F2 S47 I48 I49 H53 G54	F2-H51 HydrophobicContact CE1-CB 4.12Å; F2-H51 HydrophobicContact CE2-CB 4.43Å; F2-H51 HydrophobicContact CZ-CB 4.01Å; F2-H51 AromaticContact CZ-ND1 3.9Å; S47-H51 PolarHBondContact O-N 3.28Å; I48-H51 VanDerWaalsContact O-CB 3.23Å; I48-H51 WeakPolarHBondContact O-CB 3.3Å; I48-H51 PolarHBondContact O-N 2.67Å; I49-H51 VanDerWaalsContact C-N 3.29Å; H51-H53 PolarHBondContact O-N 2.72Å; H51-G54 PolarHBondContact O-N 3.44Å
52	D	82.8	Confident	92	Very high	129 Å²	129	62.3 Å²	62.3	69%	0.69	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-21.6	-177.4	-67.1	-4.1	0	0	0	113.5	F2 F50	F2-D52 WeakPolarHBondContact CE2-OD2 3.35Å; F50-D52 VanDerWaalsContact C-N 3.3Å; F50-D52 PolarHBondContact O-N 2.9Å
53	H	83.6	Confident	91.9	Very high	60 Å²	60	62.8 Å²	62.8	28%	0.278	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-28.5	173.8	-178.7	78.7	0	0	0	111.8	F50 H51 T56 F58	F50-H53 PolarHBondContact O-N 3.27Å; H51-H53 PolarHBondContact O-N 2.72Å; H53-T56 PolarHBondContact NE2-O 2.97Å; H53-T56 PolarHBondContact NE2-OG1 2.93Å; H53-T56 PolarHBondContact O-OG1 2.89Å; H53-F58 AromaticContact CD2-CE1 3.81Å; H53-F58 AromaticContact CD2-CE2 3.79Å; H53-F58 AromaticContact CD2-CZ 3.35Å; H53-F58 WeakPolarHBondContact CD2-CZ 3.04Å; H53-F58 AromaticContact CE1-CD1 3.57Å; H53-F58 AromaticContact CE1-CE1 3.36Å; H53-F58 WeakPolarHBondContact CE1-CE1 3.25Å; H53-F58 AromaticContact CE1-CZ 3.7Å; H53-F58 AromaticContact CG-CE1 3.81Å; H53-F58 AromaticContact CG-CZ 3.72Å; H53-F58 AromaticContact ND1-CE1 3.55Å; H53-F58 AromaticContact ND1-CZ 3.94Å; H53-F58 AromaticContact NE2-CD1 3.86Å; H53-F58 AromaticContact NE2-CD2 3.86Å; H53-F58 AromaticContact NE2-CE1 3.52Å; H53-F58 AromaticContact NE2-CE2 3.52Å; H53-F58 AromaticContact NE2-CZ 3.33Å; H53-F58 VanDerWaalsContact NE2-CZ 3.33Å; H53-F58 WeakPolarHBondContact NE2-CZ 3.33Å
54	G	84.2	Confident	91.8	Very high	30 Å²	30	60.1 Å²	60.1	31%	0.309	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	-150.9	-173.9	0	0	0	0	0	112.1	F50 H51 Y65	F50-G54 PolarHBondContact O-N 3.37Å; H51-G54 PolarHBondContact O-N 3.44Å; G54-Y65 WeakPolarHBondContact O-CD2 3.33Å; G54-Y65 WeakPolarHBondContact O-CE2 3.36Å
55	T	87.8	Confident	91.8	Very high	108 Å²	108	56.3 Å²	56.3	66%	0.663	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	20.4	-176.6	56.7	0	0	0	0	113.3	Y65	T55-Y65 HydrophobicContact CG2-CD1 4.39Å; T55-Y65 HydrophobicContact CG2-CE1 3.94Å; T55-Y65 WeakPolarHBondContact O-CB 3.33Å
56	T	90.9	Very high	91.8	Very high	85 Å²	85	60.4 Å²	60.4	52%	0.521	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-84.7	149.5	-178	60.7	0	0	0	0	111.7	H53	H53-T56 PolarHBondContact NE2-O 2.97Å; H53-T56 PolarHBondContact NE2-OG1 2.93Å; H53-T56 PolarHBondContact O-OG1 2.89Å
57	D	93.6	Very high	91.8	Very high	103 Å²	103	65.7 Å²	65.7	55%	0.551	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-66.9	146.4	176.1	-66.4	-20.6	0	0	0	111.3	S64 Y65	D57-S64 WeakPolarHBondContact OD1-CA 3.3Å; D57-S64 WeakPolarHBondContact OD1-CB 3.48Å; D57-Y65 PolarHBondContact OD1-N 3.15Å
58	F	94.8	Very high	91.9	Very high	12 Å²	12	63.9 Å²	63.9	5%	0.053	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.2	176.9	-66.1	-95.8	0	0	0	109.7	F50 H53 P61 P62 I63 A68 L106 I108	F50-F58 HydrophobicContact CD1-CE2 4.06Å; F50-F58 AromaticContact CD1-CZ 3.67Å; F50-F58 HydrophobicContact CD1-CZ 3.67Å; F50-F58 AromaticContact CE1-CE2 3.8Å; F50-F58 HydrophobicContact CE1-CE2 3.8Å; F50-F58 AromaticContact CE1-CZ 3.57Å; F50-F58 HydrophobicContact CE1-CZ 3.57Å; H53-F58 AromaticContact CD2-CE1 3.81Å; H53-F58 AromaticContact CD2-CE2 3.79Å; H53-F58 AromaticContact CD2-CZ 3.35Å; H53-F58 WeakPolarHBondContact CD2-CZ 3.04Å; H53-F58 AromaticContact CE1-CD1 3.57Å; H53-F58 AromaticContact CE1-CE1 3.36Å; H53-F58 WeakPolarHBondContact CE1-CE1 3.25Å; H53-F58 AromaticContact CE1-CZ 3.7Å; H53-F58 AromaticContact CG-CE1 3.81Å; H53-F58 AromaticContact CG-CZ 3.72Å; H53-F58 AromaticContact ND1-CE1 3.55Å; H53-F58 AromaticContact ND1-CZ 3.94Å; H53-F58 AromaticContact NE2-CD1 3.86Å; H53-F58 AromaticContact NE2-CD2 3.86Å; H53-F58 AromaticContact NE2-CE1 3.52Å; H53-F58 AromaticContact NE2-CE2 3.52Å; H53-F58 AromaticContact NE2-CZ 3.33Å; H53-F58 VanDerWaalsContact NE2-CZ 3.33Å; H53-F58 WeakPolarHBondContact NE2-CZ 3.33Å; F58-P61 CarbonylContact C-O 3.53Å; F58-P61 WeakPolarHBondContact CB-O 2.8Å; F58-P62 WeakPolarHBondContact O-CA 3.49Å; F58-I63 HydrophobicContact CB-CG2 3.72Å; F58-I63 HydrophobicContact CD2-CG2 4.03Å; F58-I63 HydrophobicContact CG-CG2 4.12Å; F58-I63 PolarHBondContact N-O 3.44Å; F58-I63 PolarHBondContact O-N 3.27Å; F58-A68 HydrophobicContact CD2-CB 3.89Å; F58-A68 HydrophobicContact CE2-CB 3.69Å; F58-L106 HydrophobicContact CB-CD2 4.39Å; F58-L106 HydrophobicContact CD1-CB 4.08Å; F58-L106 HydrophobicContact CD1-CD2 3.77Å; F58-L106 WeakPolarHBondContact CD1-O 3.42Å; F58-L106 HydrophobicContact CD2-CD2 3.9Å; F58-L106 HydrophobicContact CE1-CB 3.74Å; F58-L106 HydrophobicContact CE1-CD2 3.98Å; F58-L106 HydrophobicContact CE1-CG 4.35Å; F58-L106 WeakPolarHBondContact CE1-O 3.34Å; F58-L106 HydrophobicContact CE2-CD2 4.11Å; F58-L106 HydrophobicContact CG-CD2 3.74Å; F58-L106 HydrophobicContact CZ-CB 4.26Å; F58-L106 HydrophobicContact CZ-CD1 4.46Å; F58-L106 HydrophobicContact CZ-CD2 4.14Å; F58-I108 HydrophobicContact CE1-CD1 4.33Å; F58-I108 HydrophobicContact CE1-CG1 4.2Å; F58-I108 HydrophobicContact CZ-CD1 4.09Å; F58-I108 HydrophobicContact CZ-CG1 4.41Å
59	T	92.9	Very high	92	Very high	130 Å²	130	62.3 Å²	62.3	80%	0.798	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	-25.7	179.1	53.2	0	0	0	0	112.7
60	D	89.4	Confident	92	Very high	115 Å²	115	64.7 Å²	64.7	62%	0.615	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144	103.2	178.3	-173	21.2	0	0	0	110.7	N107	D60-N107 PolarHBondContact O-ND2 3.24Å; D60-N107 VanDerWaalsContact O-ND2 3.12Å
61	P	92.3	Very high	92.2	Very high	39 Å²	39	65 Å²	65	25%	0.253	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	cis	-68.7	155.7	-7.4	31.1	-35.5	0	0	0	111.7	F58 I63 K105 L259	F58-P61 CarbonylContact C-O 3.53Å; F58-P61 WeakPolarHBondContact CB-O 2.8Å; P61-I63 PolarHBondContact O-N 2.95Å; P61-I63 VanDerWaalsContact O-N 3.13Å; P61-K105 WeakPolarHBondContact CD-O 3.38Å; P61-L259 HydrophobicContact CG-CD2 3.53Å
62	P	94.4	Very high	92.9	Very high	76 Å²	76	58.7 Å²	58.7	49%	0.494	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	106.4	175.5	27.9	-33.7	0	0	0	111.3	F58	F58-P62 WeakPolarHBondContact O-CA 3.49Å
63	I	95.5	Very high	93.6	Very high	14 Å²	14	52.8 Å²	52.8	7%	0.072	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	141.4	178.5	-174.5	174.8	0	0	0	109.1	F58 P61 E67 A68 L106 S258 L259	F58-I63 HydrophobicContact CB-CG2 3.72Å; F58-I63 HydrophobicContact CD2-CG2 4.03Å; F58-I63 HydrophobicContact CG-CG2 4.12Å; F58-I63 PolarHBondContact N-O 3.44Å; F58-I63 PolarHBondContact O-N 3.27Å; P61-I63 PolarHBondContact O-N 2.95Å; P61-I63 VanDerWaalsContact O-N 3.13Å; I63-E67 HydrophobicContact CD1-CB 3.98Å; I63-E67 HydrophobicContact CG1-CB 3.64Å; I63-A68 HydrophobicContact CD1-CB 3.97Å; I63-A68 HydrophobicContact CG1-CB 4.27Å; I63-A68 HydrophobicContact CG2-CB 4.08Å; I63-L106 HydrophobicContact CG2-CD2 3.73Å; I63-S258 WeakPolarHBondContact CD1-OG 3.36Å; I63-L259 HydrophobicContact CD1-CD2 4.27Å; I63-L259 HydrophobicContact CD1-CG 4.16Å; I63-L259 HydrophobicContact CG2-CD2 4.43Å
64	S	95.8	Very high	94.3	Very high	32 Å²	32	50.5 Å²	50.5	22%	0.224	30%	0.298	C	S	.	.			trans	-68.1	153.7	176.7	67.8	0	0	0	0	111.3	D57 T66 E67 A68	D57-S64 WeakPolarHBondContact OD1-CA 3.3Å; D57-S64 WeakPolarHBondContact OD1-CB 3.48Å; S64-T66 PolarHBondContact O-N 2.96Å; S64-E67 WeakPolarHBondContact CB-OE2 3.44Å; S64-E67 PolarHBondContact N-OE2 3.34Å; S64-E67 VanDerWaalsContact N-OE2 3.11Å; S64-E67 PolarHBondContact O-N 2.96Å; S64-E67 WeakPolarHBondContact OG-CB 3.47Å; S64-E67 WeakPolarHBondContact OG-CG 3.49Å; S64-E67 PolarHBondContact OG-N 3.42Å; S64-E67 PolarHBondContact OG-OE2 3.4Å; S64-A68 WeakPolarHBondContact O-CB 3.23Å; S64-A68 PolarHBondContact O-N 3.32Å
65	Y	95.4	Very high	95	Very high	37 Å²	37	49.1 Å²	49.1	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-52.2	-45	175.4	170.5	-101.5	0	0	0	111.7	S47 F50 G54 T55 D57 A68 V69	S47-Y65 PolarHBondContact OG-OH 3.06Å; F50-Y65 HydrophobicContact CB-CE2 3.92Å; F50-Y65 HydrophobicContact CD1-CD2 4.27Å; F50-Y65 AromaticContact CD1-CE2 3.95Å; F50-Y65 HydrophobicContact CD1-CE2 3.95Å; F50-Y65 HydrophobicContact CG-CE2 4.15Å; G54-Y65 WeakPolarHBondContact O-CD2 3.33Å; G54-Y65 WeakPolarHBondContact O-CE2 3.36Å; T55-Y65 HydrophobicContact CG2-CD1 4.39Å; T55-Y65 HydrophobicContact CG2-CE1 3.94Å; T55-Y65 WeakPolarHBondContact O-CB 3.33Å; D57-Y65 PolarHBondContact OD1-N 3.15Å; Y65-A68 PolarHBondContact O-N 3.06Å; Y65-V69 HydrophobicContact CD1-CG2 4.49Å; Y65-V69 HydrophobicContact CD2-CG2 4.09Å; Y65-V69 HydrophobicContact CE1-CG2 4.04Å; Y65-V69 HydrophobicContact CE2-CG2 3.6Å; Y65-V69 WeakPolarHBondContact O-CG2 3.35Å; Y65-V69 PolarHBondContact O-N 3.44Å
66	T	95.3	Very high	95.5	Very high	87 Å²	87	44 Å²	44	53%	0.534	25%	0.252	S	S	.	.	H	α-helix	trans	-65.6	-44.8	-176.9	-58	0	0	0	0	111.5	S64 A68 N70	S64-T66 PolarHBondContact O-N 2.96Å; T66-A68 VanDerWaalsContact C-N 3.35Å; T66-N70 WeakPolarHBondContact O-CB 3.34Å; T66-N70 PolarHBondContact O-N 2.81Å; T66-N70 PolarHBondContact O-ND2 3.46Å
67	E	95.8	Very high	95.8	Very high	111 Å²	111	40.7 Å²	40.7	52%	0.519	23%	0.231	S	C	.	.	H	α-helix	trans	-63.7	-41.2	176.1	-71.9	164.6	144.8	0	0	111.5	I63 S64 N70 E71	I63-E67 HydrophobicContact CD1-CB 3.98Å; I63-E67 HydrophobicContact CG1-CB 3.64Å; S64-E67 WeakPolarHBondContact CB-OE2 3.44Å; S64-E67 PolarHBondContact N-OE2 3.34Å; S64-E67 VanDerWaalsContact N-OE2 3.11Å; S64-E67 PolarHBondContact O-N 2.96Å; S64-E67 WeakPolarHBondContact OG-CB 3.47Å; S64-E67 WeakPolarHBondContact OG-CG 3.49Å; S64-E67 PolarHBondContact OG-N 3.42Å; S64-E67 PolarHBondContact OG-OE2 3.4Å; E67-N70 PolarHBondContact O-N 3.27Å; E67-E71 VanDerWaalsContact O-CB 3.31Å; E67-E71 WeakPolarHBondContact O-CB 3.21Å; E67-E71 PolarHBondContact O-N 3.49Å
68	A	96.7	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-47.3	179	0	0	0	0	0	112.3	F50 F58 I63 S64 Y65 T66 E71 V72 L106	F50-A68 HydrophobicContact CE1-CB 4.2Å; F58-A68 HydrophobicContact CD2-CB 3.89Å; F58-A68 HydrophobicContact CE2-CB 3.69Å; I63-A68 HydrophobicContact CD1-CB 3.97Å; I63-A68 HydrophobicContact CG1-CB 4.27Å; I63-A68 HydrophobicContact CG2-CB 4.08Å; S64-A68 WeakPolarHBondContact O-CB 3.23Å; S64-A68 PolarHBondContact O-N 3.32Å; Y65-A68 PolarHBondContact O-N 3.06Å; T66-A68 VanDerWaalsContact C-N 3.35Å; A68-E71 PolarHBondContact O-N 3.46Å; A68-V72 WeakPolarHBondContact O-CB 3.36Å; A68-V72 VanDerWaalsContact O-CG2 3.25Å; A68-V72 WeakPolarHBondContact O-CG2 3.38Å; A68-V72 PolarHBondContact O-N 2.93Å; A68-L106 HydrophobicContact CB-CD1 4.13Å; A68-L106 HydrophobicContact CB-CD2 3.99Å
69	V	96.8	Very high	96.2	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-44	177.3	176.3	0	0	0	0	110.5	I43 C46 F50 Y65 V72 S73	I43-V69 HydrophobicContact CG2-CG1 3.9Å; C46-V69 HydrophobicContact CB-CG1 4.35Å; F50-V69 HydrophobicContact CD1-CG2 3.97Å; F50-V69 HydrophobicContact CD2-CG2 4.05Å; F50-V69 HydrophobicContact CE1-CG2 3.9Å; F50-V69 HydrophobicContact CE2-CG2 4Å; F50-V69 HydrophobicContact CG-CG2 4.06Å; F50-V69 HydrophobicContact CZ-CG2 3.92Å; Y65-V69 HydrophobicContact CD1-CG2 4.49Å; Y65-V69 HydrophobicContact CD2-CG2 4.09Å; Y65-V69 HydrophobicContact CE1-CG2 4.04Å; Y65-V69 HydrophobicContact CE2-CG2 3.6Å; Y65-V69 WeakPolarHBondContact O-CG2 3.35Å; Y65-V69 PolarHBondContact O-N 3.44Å; V69-V72 PolarHBondContact O-N 3.46Å; V69-S73 VanDerWaalsContact O-CB 3.25Å; V69-S73 WeakPolarHBondContact O-CB 3.42Å; V69-S73 PolarHBondContact O-N 2.93Å; V69-S73 PolarHBondContact O-OG 3.47Å
70	N	96.8	Very high	96.5	Very high	54 Å²	54	31.2 Å²	31.2	29%	0.289	18%	0.175	S	C	.	.	H	α-helix	trans	-60.6	-47.4	178	-73.2	-16.8	0	0	0	111.9	I43 T66 E67 S73 G74	I43-N70 VanDerWaalsContact CD1-OD1 3.3Å; I43-N70 WeakPolarHBondContact CD1-OD1 3.22Å; T66-N70 WeakPolarHBondContact O-CB 3.34Å; T66-N70 PolarHBondContact O-N 2.81Å; T66-N70 PolarHBondContact O-ND2 3.46Å; E67-N70 PolarHBondContact O-N 3.27Å; N70-S73 PolarHBondContact O-N 3.42Å; N70-G74 PolarHBondContact O-N 2.86Å; N70-G74 VanDerWaalsContact O-N 3.14Å
71	E	97.7	Very high	96.9	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-44.6	179.2	177.1	166	177.3	0	0	111.6	E67 A68 S73 G74 Y75 G257 S258 L259 L260 F294	E67-E71 VanDerWaalsContact O-CB 3.31Å; E67-E71 WeakPolarHBondContact O-CB 3.21Å; E67-E71 PolarHBondContact O-N 3.49Å; A68-E71 PolarHBondContact O-N 3.46Å; E71-S73 VanDerWaalsContact C-N 3.33Å; E71-S73 PolarHBondContact O-N 3.15Å; E71-G74 PolarHBondContact O-N 3.12Å; E71-Y75 HydrophobicContact CG-CD2 4.35Å; E71-Y75 HydrophobicContact CG-CE2 3.61Å; E71-Y75 WeakPolarHBondContact O-CD2 3.14Å; E71-Y75 PolarHBondContact O-N 3.41Å; E71-Y75 PolarHBondContact OE1-OH 3.23Å; E71-G257 VanDerWaalsContact OE1-CA 3.3Å; E71-G257 WeakPolarHBondContact OE1-CA 3.13Å; E71-S258 VanDerWaalsContact CD-N 3.3Å; E71-S258 PolarHBondContact OE1-N 3.09Å; E71-S258 VanDerWaalsContact OE1-N 3.13Å; E71-S258 WeakPolarHBondContact OE2-CA 3.45Å; E71-S258 WeakPolarHBondContact OE2-CB 3.37Å; E71-S258 PolarHBondContact OE2-N 3.06Å; E71-S258 PolarHBondContact OE2-OG 3.21Å; E71-L259 HydrophobicContact CG-CD1 4.31Å; E71-L259 WeakPolarHBondContact OE1-CB 3.38Å; E71-L259 PolarHBondContact OE1-N 3.12Å; E71-L259 PolarHBondContact OE2-N 3.27Å; E71-L260 PolarHBondContact OE1-N 2.84Å; E71-F294 HydrophobicContact CG-CE1 4.11Å; E71-F294 HydrophobicContact CG-CZ 4.37Å; E71-F294 WeakPolarHBondContact O-CZ 3.35Å
72	V	97.8	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-40.9	176.6	169.5	0	0	0	0	111.6	F50 A68 V69 G74 Y75 L76 F99 C102 L103 L106 L259	F50-V72 HydrophobicContact CE2-CB 4.45Å; F50-V72 HydrophobicContact CE2-CG1 4.27Å; F50-V72 HydrophobicContact CZ-CB 4.26Å; F50-V72 HydrophobicContact CZ-CG1 4.48Å; F50-V72 HydrophobicContact CZ-CG2 4.06Å; A68-V72 WeakPolarHBondContact O-CB 3.36Å; A68-V72 VanDerWaalsContact O-CG2 3.25Å; A68-V72 WeakPolarHBondContact O-CG2 3.38Å; A68-V72 PolarHBondContact O-N 2.93Å; V69-V72 PolarHBondContact O-N 3.46Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-G74 PolarHBondContact O-N 2.99Å; V72-Y75 PolarHBondContact O-N 2.68Å; V72-L76 PolarHBondContact O-N 2.8Å; V72-L76 VanDerWaalsContact O-N 3.15Å; V72-F99 HydrophobicContact CG1-CD2 3.57Å; V72-F99 HydrophobicContact CG1-CE2 3.49Å; V72-F99 VanDerWaalsContact CG1-CE2 3.49Å; V72-C102 HydrophobicContact CG2-CB 3.81Å; V72-L103 HydrophobicContact CG1-CD2 3.98Å; V72-L103 HydrophobicContact CG2-CD2 4.45Å; V72-L106 HydrophobicContact CG2-CD1 3.74Å; V72-L259 HydrophobicContact CG2-CD1 4.29Å
73	S	97.9	Very high	97.2	Very high	5 Å²	5	23.3 Å²	23.3	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-38	179.5	-58.6	0	0	0	0	112.4	I43 C46 V69 N70 E71 Y75 L76 V77	I43-S73 WeakPolarHBondContact CA-OG 3.43Å; C46-S73 WeakPolarHBondContact CB-OG 3.42Å; V69-S73 VanDerWaalsContact O-CB 3.25Å; V69-S73 WeakPolarHBondContact O-CB 3.42Å; V69-S73 PolarHBondContact O-N 2.93Å; V69-S73 PolarHBondContact O-OG 3.47Å; N70-S73 PolarHBondContact O-N 3.42Å; E71-S73 VanDerWaalsContact C-N 3.33Å; E71-S73 PolarHBondContact O-N 3.15Å; S73-Y75 PolarHBondContact O-N 3.13Å; S73-L76 WeakPolarHBondContact O-CB 3.39Å; S73-L76 PolarHBondContact O-N 3Å; S73-V77 WeakPolarHBondContact O-CG2 3.38Å; S73-V77 PolarHBondContact O-N 3.1Å
74	G	98	Very high	97.2	Very high	13 Å²	13	27.4 Å²	27.4	13%	0.134	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-43.6	176.9	0	0	0	0	0	113.1	N70 E71 V72 L76 V77 E78	N70-G74 PolarHBondContact O-N 2.86Å; N70-G74 VanDerWaalsContact O-N 3.14Å; E71-G74 PolarHBondContact O-N 3.12Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-G74 PolarHBondContact O-N 2.99Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 3.39Å; G74-V77 PolarHBondContact O-N 3.12Å; G74-E78 PolarHBondContact O-N 2.93Å; G74-E78 VanDerWaalsContact O-N 3.15Å
75	Y	98.6	Very high	97.2	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-37.9	174.1	-63	-68.6	0	0	0	112.1	E71 V72 S73 E78 S79 A98 C102 L255 L260 F294	E71-Y75 HydrophobicContact CG-CD2 4.35Å; E71-Y75 HydrophobicContact CG-CE2 3.61Å; E71-Y75 WeakPolarHBondContact O-CD2 3.14Å; E71-Y75 PolarHBondContact O-N 3.41Å; E71-Y75 PolarHBondContact OE1-OH 3.23Å; V72-Y75 PolarHBondContact O-N 2.68Å; S73-Y75 PolarHBondContact O-N 3.13Å; Y75-E78 PolarHBondContact O-N 3.42Å; Y75-S79 PolarHBondContact O-N 3.45Å; Y75-S79 PolarHBondContact O-OG 3.11Å; Y75-A98 HydrophobicContact CD1-CB 3.54Å; Y75-A98 HydrophobicContact CE1-CB 3.93Å; Y75-A98 HydrophobicContact CG-CB 4.09Å; Y75-C102 WeakPolarHBondContact CE2-SG 3.2Å; Y75-L255 HydrophobicContact CD1-CB 4.29Å; Y75-L255 HydrophobicContact CE1-CB 3.79Å; Y75-L255 WeakPolarHBondContact CE1-O 3.16Å; Y75-L255 PolarHBondContact OH-O 2.68Å; Y75-L260 HydrophobicContact CE1-CD1 4.02Å; Y75-L260 HydrophobicContact CE2-CD1 4.23Å; Y75-F294 HydrophobicContact CE1-CE1 4.5Å; Y75-F294 HydrophobicContact CE2-CE1 4.13Å; Y75-F294 AromaticContact CZ-CE1 4Å
76	L	98.5	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-45.3	176	-175.8	69.5	0	0	0	111.3	V6 L10 I45 C46 V72 S73 G74 E78 S79 F80 F99	V6-L76 HydrophobicContact CG1-CD1 4.39Å; V6-L76 HydrophobicContact CG1-CD2 3.99Å; L10-L76 HydrophobicContact CD1-CD1 4.33Å; I45-L76 HydrophobicContact CG2-CD2 4.38Å; C46-L76 WeakPolarHBondContact SG-CD2 3.24Å; V72-L76 PolarHBondContact O-N 2.8Å; V72-L76 VanDerWaalsContact O-N 3.15Å; S73-L76 WeakPolarHBondContact O-CB 3.39Å; S73-L76 PolarHBondContact O-N 3Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 3.39Å; L76-E78 PolarHBondContact O-N 3.3Å; L76-S79 WeakPolarHBondContact O-CB 3.44Å; L76-S79 PolarHBondContact O-N 3.42Å; L76-S79 VanDerWaalsContact O-N 3.13Å; L76-S79 PolarHBondContact O-OG 3.43Å; L76-F80 HydrophobicContact CD1-CE2 3.71Å; L76-F80 HydrophobicContact CD1-CZ 4.22Å; L76-F80 HydrophobicContact CG-CE2 4.13Å; L76-F80 WeakPolarHBondContact O-CD2 3.48Å; L76-F80 VanDerWaalsContact O-CE2 3.3Å; L76-F80 WeakPolarHBondContact O-CE2 3.39Å; L76-F99 HydrophobicContact CB-CD2 3.87Å; L76-F99 HydrophobicContact CB-CE2 4.06Å; L76-F99 HydrophobicContact CD1-CD1 4.41Å; L76-F99 HydrophobicContact CD1-CD2 4.25Å; L76-F99 HydrophobicContact CD1-CE1 4.2Å; L76-F99 HydrophobicContact CD1-CE2 4.03Å; L76-F99 HydrophobicContact CD1-CG 4.43Å; L76-F99 HydrophobicContact CD1-CZ 3.99Å; L76-F99 HydrophobicContact CG-CE2 4.45Å
77	V	98.5	Very high	97.3	Very high	15 Å²	15	26 Å²	26	9%	0.091	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-47.3	178.6	170	0	0	0	0	111.4	F35 L38 Q39 A42 S73 G74 S79	F35-V77 HydrophobicContact CE1-CG1 4.1Å; F35-V77 HydrophobicContact CZ-CG1 3.76Å; L38-V77 HydrophobicContact CG-CG2 4.28Å; Q39-V77 HydrophobicContact CG-CG1 3.73Å; A42-V77 HydrophobicContact CB-CG2 3.48Å; A42-V77 VanDerWaalsContact CB-CG2 3.48Å; S73-V77 WeakPolarHBondContact O-CG2 3.38Å; S73-V77 PolarHBondContact O-N 3.1Å; G74-V77 PolarHBondContact O-N 3.12Å; V77-S79 PolarHBondContact O-N 3.32Å; V77-S79 VanDerWaalsContact O-N 3.12Å
78	E	98.1	Very high	97.4	Very high	46 Å²	46	20.8 Å²	20.8	22%	0.215	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-69.5	-6.2	179.3	-65.9	-64.3	141.8	0	0	113.3	G74 Y75 L76 F80 H92 A95 L255	G74-E78 PolarHBondContact O-N 2.93Å; G74-E78 VanDerWaalsContact O-N 3.15Å; Y75-E78 PolarHBondContact O-N 3.42Å; L76-E78 PolarHBondContact O-N 3.3Å; E78-F80 VanDerWaalsContact C-N 3.35Å; E78-F80 PolarHBondContact O-N 2.82Å; E78-H92 WeakPolarHBondContact O-CA 3.23Å; E78-H92 WeakPolarHBondContact O-CB 3.49Å; E78-H92 PolarHBondContact O-CD2 3.13Å; E78-H92 VanDerWaalsContact O-CD2 3.27Å; E78-A95 HydrophobicContact CB-CB 3.82Å; E78-L255 HydrophobicContact CG-CD1 3.62Å; E78-L255 HydrophobicContact CG-CG 4.07Å
79	S	98.7	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-77.3	-14.1	-177.8	-62.1	0	0	0	0	114.7	Y75 L76 V77 Y88 H92 F96 Y134	Y75-S79 PolarHBondContact O-N 3.45Å; Y75-S79 PolarHBondContact O-OG 3.11Å; L76-S79 WeakPolarHBondContact O-CB 3.44Å; L76-S79 PolarHBondContact O-N 3.42Å; L76-S79 VanDerWaalsContact O-N 3.13Å; L76-S79 PolarHBondContact O-OG 3.43Å; V77-S79 PolarHBondContact O-N 3.32Å; V77-S79 VanDerWaalsContact O-N 3.12Å; S79-Y88 WeakPolarHBondContact O-CE2 3.37Å; S79-H92 WeakPolarHBondContact CA-O 3.39Å; S79-F96 WeakPolarHBondContact OG-CA 3.46Å; S79-F96 PolarHBondContact OG-N 2.97Å; S79-F96 VanDerWaalsContact OG-N 3.12Å; S79-Y134 PolarHBondContact O-OH 2.88Å
80	F	98.6	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-118.6	10.8	-165.4	-62.3	-74.4	0	0	0	115.5	L7 L10 F31 W34 L38 L76 E78 Y134 L137 V138 L141	L7-F80 HydrophobicContact CD2-CE1 4.46Å; L7-F80 HydrophobicContact CD2-CZ 3.95Å; L10-F80 HydrophobicContact CD1-CD2 4.24Å; L10-F80 HydrophobicContact CD1-CE1 4.32Å; L10-F80 HydrophobicContact CD1-CE2 3.39Å; L10-F80 HydrophobicContact CD1-CZ 3.44Å; L10-F80 VanDerWaalsContact CD1-CZ 3.44Å; F31-F80 WeakPolarHBondContact CZ-O 3.5Å; W34-F80 HydrophobicContact CH2-CB 3.83Å; W34-F80 HydrophobicContact CH2-CD1 4.32Å; W34-F80 HydrophobicContact CH2-CD2 4.37Å; W34-F80 AromaticContact CH2-CG 3.91Å; W34-F80 HydrophobicContact CH2-CG 3.91Å; W34-F80 HydrophobicContact CZ3-CB 3.83Å; W34-F80 HydrophobicContact CZ3-CG 4.41Å; L38-F80 HydrophobicContact CD2-CB 4.28Å; L38-F80 HydrophobicContact CD2-CD2 3.74Å; L38-F80 HydrophobicContact CD2-CG 4.36Å; L76-F80 HydrophobicContact CD1-CE2 3.71Å; L76-F80 HydrophobicContact CD1-CZ 4.22Å; L76-F80 HydrophobicContact CG-CE2 4.13Å; L76-F80 WeakPolarHBondContact O-CD2 3.48Å; L76-F80 VanDerWaalsContact O-CE2 3.3Å; L76-F80 WeakPolarHBondContact O-CE2 3.39Å; E78-F80 VanDerWaalsContact C-N 3.35Å; E78-F80 PolarHBondContact O-N 2.82Å; F80-Y134 HydrophobicContact CD1-CE2 4.46Å; F80-Y134 HydrophobicContact CE1-CD2 4.04Å; F80-Y134 AromaticContact CE1-CE2 3.87Å; F80-Y134 HydrophobicContact CE1-CE2 3.87Å; F80-Y134 HydrophobicContact CZ-CD2 4.47Å; F80-Y134 HydrophobicContact CZ-CE2 4.39Å; F80-L137 HydrophobicContact CD1-CD2 4.18Å; F80-L137 HydrophobicContact CD1-CG 4.39Å; F80-L137 HydrophobicContact CE1-CD2 3.41Å; F80-L137 VanDerWaalsContact CE1-CD2 3.41Å; F80-L137 HydrophobicContact CE1-CG 3.98Å; F80-L137 HydrophobicContact CZ-CD2 3.94Å; F80-V138 HydrophobicContact CD1-CG1 4.05Å; F80-V138 HydrophobicContact CE1-CG1 4.27Å; F80-L141 HydrophobicContact CB-CD1 4.11Å; F80-L141 HydrophobicContact CD1-CD1 3.91Å; F80-L141 HydrophobicContact CG-CD1 4.4Å
81	G	97.7	Very high	97.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.			trans	115.7	-174.3	174.4	0	0	0	0	0	113.8	F35 D87 H92	F35-G81 WeakPolarHBondContact CE2-O 3.17Å; G81-D87 CarbonylContact C-O 3.3Å; G81-D87 WeakPolarHBondContact CA-O 3.18Å; G81-H92 VanDerWaalsContact C-NE2 3.29Å; G81-H92 WeakPolarHBondContact CA-CD2 3.48Å; G81-H92 WeakPolarHBondContact CA-NE2 3.45Å
82	N	97.4	Very high	97.5	Very high	35 Å²	35	21 Å²	21	19%	0.187	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-110.2	119.9	-179.7	-172.6	-89.3	0	0	0	111.9	T84 R85 I86 D87	N82-T84 VanDerWaalsContact C-N 3.29Å; N82-T84 PolarHBondContact O-N 3.49Å; N82-T84 WeakPolarHBondContact OD1-CB 3.41Å; N82-T84 PolarHBondContact OD1-N 3.11Å; N82-T84 VanDerWaalsContact OD1-N 3.07Å; N82-R85 PolarHBondContact OD1-N 3.22Å; N82-I86 VanDerWaalsContact O-CA 3.22Å; N82-I86 WeakPolarHBondContact O-CA 3.11Å; N82-I86 PolarHBondContact O-N 3.47Å; N82-D87 WeakPolarHBondContact CB-OD1 3.28Å; N82-D87 PolarHBondContact N-O 2.79Å
83	S	96.7	Very high	97.5	Very high	29 Å²	29	21 Å²	21	20%	0.203	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.5	-178.3	62.1	0	0	0	0	114.3	R32	R32-S83 VanDerWaalsContact CG-O 3.23Å; R32-S83 WeakPolarHBondContact CG-O 3.28Å; R32-S83 PolarHBondContact NE-O 3.05Å
84	T	95.2	Very high	97.5	Very high	100 Å²	100	21.7 Å²	21.7	61%	0.613	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-53.7	-177.4	-61.2	0	0	0	0	110.7	R32 N82	R32-T84 PolarHBondContact NH2-O 3.13Å; N82-T84 VanDerWaalsContact C-N 3.29Å; N82-T84 PolarHBondContact O-N 3.49Å; N82-T84 WeakPolarHBondContact OD1-CB 3.41Å; N82-T84 PolarHBondContact OD1-N 3.11Å; N82-T84 VanDerWaalsContact OD1-N 3.07Å
85	R	94.9	Very high	97.6	Very high	105 Å²	105	21.4 Å²	21.4	40%	0.396	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-18.3	-177.1	-60.3	-169.6	-53.1	-93.3	-12.3	113.5	N82 D87	N82-R85 PolarHBondContact OD1-N 3.22Å; R85-D87 HydrophobicContact CB-CB 4.3Å; R85-D87 WeakPolarHBondContact CB-OD2 3.44Å; R85-D87 IonicContact CZ-OD1 2.77Å; R85-D87 IonicContact CZ-OD2 2.82Å; R85-D87 IonicContact NE-OD1 3.66Å; R85-D87 PolarHBondContact NE-OD1 3.31Å; R85-D87 IonicContact NE-OD2 3.21Å; R85-D87 PolarHBondContact NE-OD2 3.5Å; R85-D87 IonicContact NH2-OD1 2.68Å; R85-D87 PolarHBondContact NH2-OD1 2.91Å; R85-D87 IonicContact NH2-OD2 3.08Å; R85-D87 PolarHBondContact NH2-OD2 3.26Å; R85-D87 PolarHBondContact O-N 3.42Å
86	I	96.8	Very high	97.6	Very high	7 Å²	7	21.4 Å²	21.4	4%	0.036	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	47.7	-174.8	-45	173.9	0	0	0	109.5	F31 N82 M147 E148	F31-I86 HydrophobicContact CB-CG2 3.92Å; F31-I86 HydrophobicContact CD1-CB 4.34Å; F31-I86 HydrophobicContact CD1-CG1 4.33Å; F31-I86 HydrophobicContact CD1-CG2 3.84Å; F31-I86 HydrophobicContact CG-CG2 4.09Å; N82-I86 VanDerWaalsContact O-CA 3.22Å; N82-I86 WeakPolarHBondContact O-CA 3.11Å; N82-I86 PolarHBondContact O-N 3.47Å; I86-M147 HydrophobicContact CG2-CG 4.31Å; I86-M147 WeakPolarHBondContact O-CA 3.3Å; I86-E148 PolarHBondContact O-N 3.16Å
87	D	97.2	Very high	97.6	Very high	16 Å²	16	22.7 Å²	22.7	9%	0.086	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	158.2	-179.9	68.7	11.6	0	0	0	111.8	G81 N82 R85 H92 M147 E148 A150	G81-D87 CarbonylContact C-O 3.3Å; G81-D87 WeakPolarHBondContact CA-O 3.18Å; N82-D87 WeakPolarHBondContact CB-OD1 3.28Å; N82-D87 PolarHBondContact N-O 2.79Å; R85-D87 HydrophobicContact CB-CB 4.3Å; R85-D87 WeakPolarHBondContact CB-OD2 3.44Å; R85-D87 IonicContact CZ-OD1 2.77Å; R85-D87 IonicContact CZ-OD2 2.82Å; R85-D87 IonicContact NE-OD1 3.66Å; R85-D87 PolarHBondContact NE-OD1 3.31Å; R85-D87 IonicContact NE-OD2 3.21Å; R85-D87 PolarHBondContact NE-OD2 3.5Å; R85-D87 IonicContact NH2-OD1 2.68Å; R85-D87 PolarHBondContact NH2-OD1 2.91Å; R85-D87 IonicContact NH2-OD2 3.08Å; R85-D87 PolarHBondContact NH2-OD2 3.26Å; R85-D87 PolarHBondContact O-N 3.42Å; D87-H92 IonicContact OD1-CE1 3.32Å; D87-M147 WeakPolarHBondContact O-CE 3.45Å; D87-E148 CarbonylContact C-O 3.59Å; D87-E148 WeakPolarHBondContact CA-O 3.14Å; D87-E148 HydrophobicContact CB-CB 4.22Å; D87-E148 WeakPolarHBondContact CB-O 3.37Å; D87-A150 HydrophobicContact CB-CB 4.04Å
88	Y	97.8	Very high	97.6	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.9	177.2	178.2	-80.7	0	0	0	109.1	S79 H92 Y134 V138 E148 P149 A150 F161 Q162	S79-Y88 WeakPolarHBondContact O-CE2 3.37Å; Y88-H92 HydrophobicContact CD2-CB 3.92Å; Y88-H92 HydrophobicContact CE2-CB 3.69Å; Y88-Y134 PolarHBondContact OH-OH 3.04Å; Y88-V138 HydrophobicContact CE2-CB 4.24Å; Y88-V138 HydrophobicContact CE2-CG1 3.86Å; Y88-E148 PolarHBondContact N-O 3.13Å; Y88-P149 CarbonylContact O-C 3.57Å; Y88-A150 WeakPolarHBondContact O-CB 3.36Å; Y88-A150 PolarHBondContact O-N 3Å; Y88-F161 HydrophobicContact CD1-CB 3.81Å; Y88-F161 AromaticContact CD1-CD1 3.76Å; Y88-F161 HydrophobicContact CD1-CD1 3.76Å; Y88-F161 HydrophobicContact CD1-CG 4.14Å; Y88-F161 HydrophobicContact CE1-CB 3.98Å; Y88-F161 WeakPolarHBondContact O-CD1 3.47Å; Y88-Q162 PolarHBondContact OH-NE2 3.04Å; Y88-Q162 PolarHBondContact OH-OE1 3.35Å
89	G	96.8	Very high	97.6	Very high	2 Å²	2	20 Å²	20	2%	0.021	11%	0.113	C	C	.	.			trans	-174.5	-171.7	177.9	0	0	0	0	0	112	G91 H92 E93 F161	G89-G91 PolarHBondContact O-N 2.87Å; G89-G91 VanDerWaalsContact O-N 3.1Å; G89-H92 PolarHBondContact N-ND1 2.87Å; G89-H92 WeakPolarHBondContact O-CB 3.41Å; G89-H92 PolarHBondContact O-N 3.4Å; G89-H92 PolarHBondContact O-ND1 3.37Å; G89-E93 PolarHBondContact O-N 3.12Å; G89-F161 CarbonylContact C-O 3.51Å; G89-F161 VanDerWaalsContact C-O 3.3Å
90	T	97.1	Very high	97.6	Very high	26 Å²	26	20.3 Å²	20.3	16%	0.16	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-22.1	-171.3	55.3	0	0	0	0	114.5	E93 L94 F161 F163 V244	T90-E93 PolarHBondContact O-N 3.48Å; T90-L94 VanDerWaalsContact O-CB 3.28Å; T90-L94 WeakPolarHBondContact O-CB 3.25Å; T90-L94 PolarHBondContact O-N 3.18Å; T90-F161 PolarHBondContact N-O 2.86Å; T90-F163 HydrophobicContact CG2-CB 3.91Å; T90-V244 HydrophobicContact CG2-CG2 4.3Å
91	G	97	Very high	97.5	Very high	23 Å²	23	23.2 Å²	23.2	24%	0.237	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-37.1	171.4	0	0	0	0	0	112.9	G89 L94 A95	G89-G91 PolarHBondContact O-N 2.87Å; G89-G91 VanDerWaalsContact O-N 3.1Å; G91-L94 WeakPolarHBondContact O-CB 3.41Å; G91-L94 PolarHBondContact O-N 3.43Å; G91-A95 PolarHBondContact O-N 3.47Å
92	H	98.4	Very high	97.5	Very high	16 Å²	16	23.2 Å²	23.2	7%	0.074	13%	0.132	C	C	.	.	H	α-helix	trans	-75	-38.4	175.7	-49.2	102.8	0	0	0	110.6	E78 S79 G81 D87 Y88 G89 L94 A95 F96	E78-H92 WeakPolarHBondContact O-CA 3.23Å; E78-H92 WeakPolarHBondContact O-CB 3.49Å; E78-H92 PolarHBondContact O-CD2 3.13Å; E78-H92 VanDerWaalsContact O-CD2 3.27Å; S79-H92 WeakPolarHBondContact CA-O 3.39Å; G81-H92 VanDerWaalsContact C-NE2 3.29Å; G81-H92 WeakPolarHBondContact CA-CD2 3.48Å; G81-H92 WeakPolarHBondContact CA-NE2 3.45Å; D87-H92 IonicContact OD1-CE1 3.32Å; Y88-H92 HydrophobicContact CD2-CB 3.92Å; Y88-H92 HydrophobicContact CE2-CB 3.69Å; G89-H92 PolarHBondContact N-ND1 2.87Å; G89-H92 WeakPolarHBondContact O-CB 3.41Å; G89-H92 PolarHBondContact O-N 3.4Å; G89-H92 PolarHBondContact O-ND1 3.37Å; H92-L94 VanDerWaalsContact C-N 3.28Å; H92-L94 PolarHBondContact O-N 3.28Å; H92-A95 WeakPolarHBondContact O-CB 3.38Å; H92-A95 PolarHBondContact O-N 3.45Å; H92-A95 VanDerWaalsContact O-N 3.12Å; H92-F96 PolarHBondContact O-N 3.23Å
93	E	98.5	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.9	-42.6	168.5	-172.9	-170.6	-125.1	0	0	112	G89 T90 F96 L97 Y134 Q162 F163 V164 P165	G89-E93 PolarHBondContact O-N 3.12Å; T90-E93 PolarHBondContact O-N 3.48Å; E93-F96 WeakPolarHBondContact O-CB 3.3Å; E93-F96 PolarHBondContact O-N 3.31Å; E93-L97 PolarHBondContact O-N 3.47Å; E93-Y134 WeakPolarHBondContact CA-OH 3.31Å; E93-Q162 PolarHBondContact OE1-OE1 3.17Å; E93-F163 PolarHBondContact OE1-N 3.23Å; E93-F163 PolarHBondContact OE2-N 3.08Å; E93-V164 HydrophobicContact CG-CB 4.43Å; E93-V164 HydrophobicContact CG-CG2 4.25Å; E93-V164 PolarHBondContact OE1-N 2.85Å; E93-V164 VanDerWaalsContact OE1-N 3.11Å; E93-V164 VanDerWaalsContact OE2-CG2 3.28Å; E93-V164 WeakPolarHBondContact OE2-CG2 3.21Å; E93-V164 PolarHBondContact OE2-N 2.9Å; E93-P165 WeakPolarHBondContact OE1-CD 3.23Å
94	L	98.2	Very high	97.4	Very high	21 Å²	21	21.7 Å²	21.7	11%	0.11	12%	0.12	C	C	.	.	H	α-helix	trans	-64.3	-37.7	175	174	62.3	0	0	0	112.1	T90 G91 H92 F96 L97 A98 Y240 V244 L245 V251 F254	T90-L94 VanDerWaalsContact O-CB 3.28Å; T90-L94 WeakPolarHBondContact O-CB 3.25Å; T90-L94 PolarHBondContact O-N 3.18Å; G91-L94 WeakPolarHBondContact O-CB 3.41Å; G91-L94 PolarHBondContact O-N 3.43Å; H92-L94 VanDerWaalsContact C-N 3.28Å; H92-L94 PolarHBondContact O-N 3.28Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.13Å; L94-L97 PolarHBondContact O-N 2.71Å; L94-A98 PolarHBondContact O-N 3.27Å; L94-Y240 WeakPolarHBondContact CD1-OH 3.31Å; L94-V244 HydrophobicContact CD2-CG1 4.49Å; L94-L245 HydrophobicContact CD1-CD2 3.9Å; L94-L245 HydrophobicContact CD2-CD2 3.92Å; L94-V251 HydrophobicContact CD2-CG1 4.14Å; L94-F254 HydrophobicContact CD1-CE2 4.08Å; L94-F254 HydrophobicContact CD2-CD2 3.7Å; L94-F254 HydrophobicContact CD2-CE2 4.05Å; L94-F254 HydrophobicContact CG-CD2 3.73Å; L94-F254 HydrophobicContact CG-CE2 3.66Å
95	A	98.5	Very high	97.4	Very high	7 Å²	7	21.5 Å²	21.5	6%	0.058	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-37.3	172.4	0	0	0	0	0	111.9	E78 G91 H92 L97 A98 F99	E78-A95 HydrophobicContact CB-CB 3.82Å; G91-A95 PolarHBondContact O-N 3.47Å; H92-A95 WeakPolarHBondContact O-CB 3.38Å; H92-A95 PolarHBondContact O-N 3.45Å; H92-A95 VanDerWaalsContact O-N 3.12Å; A95-L97 PolarHBondContact O-N 2.9Å; A95-A98 WeakPolarHBondContact O-CB 3.26Å; A95-A98 PolarHBondContact O-N 3.2Å; A95-A98 VanDerWaalsContact O-N 3.16Å; A95-F99 PolarHBondContact O-N 3.27Å
96	F	98.7	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-40	173.9	-171.4	-114.6	0	0	0	112.3	L7 S79 H92 E93 L94 A98 F99 L100 I130 Y134	L7-F96 HydrophobicContact CD1-CZ 4.17Å; L7-F96 HydrophobicContact CD2-CE2 3.98Å; L7-F96 HydrophobicContact CD2-CZ 4.2Å; S79-F96 WeakPolarHBondContact OG-CA 3.46Å; S79-F96 PolarHBondContact OG-N 2.97Å; S79-F96 VanDerWaalsContact OG-N 3.12Å; H92-F96 PolarHBondContact O-N 3.23Å; E93-F96 WeakPolarHBondContact O-CB 3.3Å; E93-F96 PolarHBondContact O-N 3.31Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.13Å; F96-A98 VanDerWaalsContact C-N 3.31Å; F96-A98 PolarHBondContact O-N 3.06Å; F96-F99 AromaticContact CD2-CD1 3.94Å; F96-F99 HydrophobicContact CD2-CD1 3.94Å; F96-F99 AromaticContact CE2-CD1 3.76Å; F96-F99 HydrophobicContact CE2-CD1 3.76Å; F96-F99 AromaticContact CE2-CE1 3.97Å; F96-F99 HydrophobicContact CE2-CE1 3.97Å; F96-F99 WeakPolarHBondContact O-CB 3.31Å; F96-F99 PolarHBondContact O-N 3.35Å; F96-L100 HydrophobicContact CD1-CD1 4.12Å; F96-L100 HydrophobicContact CE1-CD1 3.71Å; F96-L100 HydrophobicContact CE1-CG 4.24Å; F96-L100 HydrophobicContact CZ-CD1 4.16Å; F96-L100 HydrophobicContact CZ-CD2 4.24Å; F96-L100 HydrophobicContact CZ-CG 4.28Å; F96-L100 WeakPolarHBondContact O-CG 3.25Å; F96-L100 PolarHBondContact O-N 3.14Å; F96-I130 HydrophobicContact CE1-CG2 4.17Å; F96-I130 HydrophobicContact CZ-CG2 3.82Å; F96-Y134 HydrophobicContact CB-CD2 4.5Å; F96-Y134 HydrophobicContact CB-CE2 3.78Å; F96-Y134 AromaticContact CD1-CD1 3.89Å; F96-Y134 HydrophobicContact CD1-CD1 3.89Å; F96-Y134 AromaticContact CD1-CD2 3.61Å; F96-Y134 HydrophobicContact CD1-CD2 3.61Å; F96-Y134 AromaticContact CD1-CE1 3.98Å; F96-Y134 HydrophobicContact CD1-CE1 3.98Å; F96-Y134 AromaticContact CD1-CE2 3.72Å; F96-Y134 HydrophobicContact CD1-CE2 3.72Å; F96-Y134 AromaticContact CD1-CG 3.67Å; F96-Y134 HydrophobicContact CD1-CG 3.67Å; F96-Y134 AromaticContact CD1-CZ 3.86Å; F96-Y134 AromaticContact CD2-CD2 3.78Å; F96-Y134 HydrophobicContact CD2-CD2 3.78Å; F96-Y134 AromaticContact CD2-CE2 3.72Å; F96-Y134 HydrophobicContact CD2-CE2 3.72Å; F96-Y134 HydrophobicContact CE1-CD1 4.06Å; F96-Y134 AromaticContact CE1-CD2 3.63Å; F96-Y134 HydrophobicContact CE1-CD2 3.63Å; F96-Y134 HydrophobicContact CE1-CE2 4.23Å; F96-Y134 AromaticContact CE1-CG 3.51Å; F96-Y134 HydrophobicContact CE1-CG 3.51Å; F96-Y134 AromaticContact CE2-CD2 3.81Å; F96-Y134 HydrophobicContact CE2-CD2 3.81Å; F96-Y134 HydrophobicContact CE2-CE2 4.25Å; F96-Y134 HydrophobicContact CE2-CG 4.48Å; F96-Y134 AromaticContact CG-CD2 3.68Å; F96-Y134 HydrophobicContact CG-CD2 3.68Å; F96-Y134 HydrophobicContact CG-CE1 4.37Å; F96-Y134 AromaticContact CG-CE2 3.44Å; F96-Y134 HydrophobicContact CG-CE2 3.44Å; F96-Y134 VanDerWaalsContact CG-CE2 3.44Å; F96-Y134 HydrophobicContact CG-CG 4.23Å; F96-Y134 AromaticContact CG-CZ 3.78Å; F96-Y134 AromaticContact CZ-CD2 3.74Å; F96-Y134 HydrophobicContact CZ-CD2 3.74Å; F96-Y134 HydrophobicContact CZ-CE2 4.48Å; F96-Y134 AromaticContact CZ-CG 3.96Å; F96-Y134 HydrophobicContact CZ-CG 3.96Å
97	L	98.4	Very high	97.2	Very high	28 Å²	28	20.6 Å²	20.6	15%	0.147	11%	0.114	C	C	.	.	H	α-helix	trans	-64.3	-36	172	-66.2	-171.8	0	0	0	112.6	E93 L94 A95 L100 T101 M131 V164 W168	E93-L97 PolarHBondContact O-N 3.47Å; L94-L97 PolarHBondContact O-N 2.71Å; A95-L97 PolarHBondContact O-N 2.9Å; L97-L100 PolarHBondContact O-N 3.19Å; L97-T101 VanDerWaalsContact O-CB 3.3Å; L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 PolarHBondContact O-N 3.14Å; L97-T101 PolarHBondContact O-OG1 2.95Å; L97-M131 HydrophobicContact CD2-CE 4.29Å; L97-V164 HydrophobicContact CD1-CB 4.39Å; L97-V164 HydrophobicContact CD1-CG1 4.17Å; L97-V164 HydrophobicContact CD1-CG2 3.49Å; L97-V164 VanDerWaalsContact CD1-CG2 3.49Å; L97-V164 HydrophobicContact CD2-CG1 4.35Å; L97-V164 HydrophobicContact CG-CG2 4.41Å; L97-W168 HydrophobicContact CD2-CH2 3.73Å; L97-W168 HydrophobicContact CD2-CZ2 3.93Å
98	A	98.5	Very high	97	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.033	12%	0.119	C	C	.	.	H	α-helix	trans	-64	-45.7	174.3	0	0	0	0	0	111.1	Y75 L94 A95 F96 L100 T101 C102 F254 L260	Y75-A98 HydrophobicContact CD1-CB 3.54Å; Y75-A98 HydrophobicContact CE1-CB 3.93Å; Y75-A98 HydrophobicContact CG-CB 4.09Å; L94-A98 PolarHBondContact O-N 3.27Å; A95-A98 WeakPolarHBondContact O-CB 3.26Å; A95-A98 PolarHBondContact O-N 3.2Å; A95-A98 VanDerWaalsContact O-N 3.16Å; F96-A98 VanDerWaalsContact C-N 3.31Å; F96-A98 PolarHBondContact O-N 3.06Å; A98-L100 PolarHBondContact O-N 2.84Å; A98-T101 WeakPolarHBondContact O-CB 3.3Å; A98-T101 PolarHBondContact O-N 3.41Å; A98-T101 VanDerWaalsContact O-N 3.13Å; A98-C102 PolarHBondContact O-N 3.38Å; A98-C102 PolarHBondContact O-SG 3.32Å; A98-F254 HydrophobicContact CB-CE2 3.75Å; A98-F254 HydrophobicContact CB-CZ 3.67Å; A98-L260 HydrophobicContact CB-CD1 3.62Å
99	F	98.6	Very high	96.8	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-52.4	-52.4	172.5	162.3	-101	0	0	0	111.7	V3 I49 V72 L76 A95 F96 T101 C102 L103	V3-F99 HydrophobicContact CG1-CE1 4.06Å; I49-F99 HydrophobicContact CD1-CE2 4.03Å; I49-F99 HydrophobicContact CD1-CZ 3.52Å; V72-F99 HydrophobicContact CG1-CD2 3.57Å; V72-F99 HydrophobicContact CG1-CE2 3.49Å; V72-F99 VanDerWaalsContact CG1-CE2 3.49Å; L76-F99 HydrophobicContact CB-CD2 3.87Å; L76-F99 HydrophobicContact CB-CE2 4.06Å; L76-F99 HydrophobicContact CD1-CD1 4.41Å; L76-F99 HydrophobicContact CD1-CD2 4.25Å; L76-F99 HydrophobicContact CD1-CE1 4.2Å; L76-F99 HydrophobicContact CD1-CE2 4.03Å; L76-F99 HydrophobicContact CD1-CG 4.43Å; L76-F99 HydrophobicContact CD1-CZ 3.99Å; L76-F99 HydrophobicContact CG-CE2 4.45Å; A95-F99 PolarHBondContact O-N 3.27Å; F96-F99 AromaticContact CD2-CD1 3.94Å; F96-F99 HydrophobicContact CD2-CD1 3.94Å; F96-F99 AromaticContact CE2-CD1 3.76Å; F96-F99 HydrophobicContact CE2-CD1 3.76Å; F96-F99 AromaticContact CE2-CE1 3.97Å; F96-F99 HydrophobicContact CE2-CE1 3.97Å; F96-F99 WeakPolarHBondContact O-CB 3.31Å; F96-F99 PolarHBondContact O-N 3.35Å; F99-T101 VanDerWaalsContact C-N 3.32Å; F99-T101 PolarHBondContact O-N 2.9Å; F99-C102 WeakPolarHBondContact O-CB 3.43Å; F99-C102 PolarHBondContact O-N 3.5Å; F99-L103 HydrophobicContact CE1-CD1 4.01Å; F99-L103 HydrophobicContact CE2-CD1 4.27Å; F99-L103 HydrophobicContact CZ-CD1 3.83Å; F99-L103 PolarHBondContact O-N 2.97Å
100	L	98.3	Very high	96.5	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-37.6	177.6	-64	177.8	0	0	0	112.6	V3 F96 L97 A98 C102 L103 F104 I126 I130	V3-L100 HydrophobicContact CG1-CD2 4.05Å; F96-L100 HydrophobicContact CD1-CD1 4.12Å; F96-L100 HydrophobicContact CE1-CD1 3.71Å; F96-L100 HydrophobicContact CE1-CG 4.24Å; F96-L100 HydrophobicContact CZ-CD1 4.16Å; F96-L100 HydrophobicContact CZ-CD2 4.24Å; F96-L100 HydrophobicContact CZ-CG 4.28Å; F96-L100 WeakPolarHBondContact O-CG 3.25Å; F96-L100 PolarHBondContact O-N 3.14Å; L97-L100 PolarHBondContact O-N 3.19Å; A98-L100 PolarHBondContact O-N 2.84Å; L100-C102 VanDerWaalsContact C-N 3.35Å; L100-L103 HydrophobicContact CD2-CD1 4.49Å; L100-L103 PolarHBondContact O-N 3.38Å; L100-F104 VanDerWaalsContact O-CD2 3.31Å; L100-F104 WeakPolarHBondContact O-CD2 3.22Å; L100-F104 PolarHBondContact O-N 3.19Å; L100-F104 VanDerWaalsContact O-N 3.14Å; L100-I126 HydrophobicContact CD1-CD1 4.16Å; L100-I126 HydrophobicContact CD1-CG1 4.49Å; L100-I126 HydrophobicContact CD1-CG2 3.7Å; L100-I126 HydrophobicContact CD2-CD1 3.8Å; L100-I126 HydrophobicContact CG-CD1 4.5Å; L100-I130 HydrophobicContact CD2-CG2 4.34Å
101	T	97.7	Very high	96	Very high	60 Å²	60	32.5 Å²	32.5	37%	0.368	16%	0.164	S	C	.	.	H	α-helix	trans	-64.7	-39.6	177.8	-61	0	0	0	0	111.5	L97 A98 F99 L103 F104 K105 L260	L97-T101 VanDerWaalsContact O-CB 3.3Å; L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 PolarHBondContact O-N 3.14Å; L97-T101 PolarHBondContact O-OG1 2.95Å; A98-T101 WeakPolarHBondContact O-CB 3.3Å; A98-T101 PolarHBondContact O-N 3.41Å; A98-T101 VanDerWaalsContact O-N 3.13Å; F99-T101 VanDerWaalsContact C-N 3.32Å; F99-T101 PolarHBondContact O-N 2.9Å; T101-L103 VanDerWaalsContact C-N 3.33Å; T101-L103 PolarHBondContact O-N 3Å; T101-F104 PolarHBondContact O-N 3.11Å; T101-K105 HydrophobicContact CG2-CD 4.34Å; T101-K105 WeakPolarHBondContact O-CG 3.48Å; T101-K105 PolarHBondContact O-N 3.15Å; T101-L260 HydrophobicContact CG2-CD2 4.07Å
102	C	97.7	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-41.8	174.3	-69.8	0	0	0	0	111.5	V72 Y75 A98 F99 L100 F104 K105 L106 L259	V72-C102 HydrophobicContact CG2-CB 3.81Å; Y75-C102 WeakPolarHBondContact CE2-SG 3.2Å; A98-C102 PolarHBondContact O-N 3.38Å; A98-C102 PolarHBondContact O-SG 3.32Å; F99-C102 WeakPolarHBondContact O-CB 3.43Å; F99-C102 PolarHBondContact O-N 3.5Å; L100-C102 VanDerWaalsContact C-N 3.35Å; C102-F104 VanDerWaalsContact C-N 3.34Å; C102-F104 PolarHBondContact O-N 2.76Å; C102-K105 WeakPolarHBondContact O-CB 3.28Å; C102-K105 PolarHBondContact O-N 3.48Å; C102-K105 VanDerWaalsContact O-N 3.14Å; C102-L106 WeakPolarHBondContact O-CB 3.12Å; C102-L106 VanDerWaalsContact O-CG 3.3Å; C102-L106 WeakPolarHBondContact O-CG 3.17Å; C102-L106 PolarHBondContact O-N 3.08Å; C102-L259 HydrophobicContact CB-CD1 3.85Å
103	L	96.9	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-36.2	176.2	-61.7	176.8	0	0	0	113.2	V3 I49 F50 V72 F99 L100 T101 N107 I108 L109	V3-L103 HydrophobicContact CG2-CD1 3.64Å; I49-L103 HydrophobicContact CD1-CD1 4.43Å; I49-L103 HydrophobicContact CG2-CD1 4.01Å; I49-L103 HydrophobicContact CG2-CD2 3.68Å; I49-L103 HydrophobicContact CG2-CG 4.48Å; F50-L103 HydrophobicContact CE2-CD2 4.41Å; V72-L103 HydrophobicContact CG1-CD2 3.98Å; V72-L103 HydrophobicContact CG2-CD2 4.45Å; F99-L103 HydrophobicContact CE1-CD1 4.01Å; F99-L103 HydrophobicContact CE2-CD1 4.27Å; F99-L103 HydrophobicContact CZ-CD1 3.83Å; F99-L103 PolarHBondContact O-N 2.97Å; L100-L103 HydrophobicContact CD2-CD1 4.49Å; L100-L103 PolarHBondContact O-N 3.38Å; T101-L103 VanDerWaalsContact C-N 3.33Å; T101-L103 PolarHBondContact O-N 3Å; L103-N107 PolarHBondContact O-N 3.21Å; L103-I108 HydrophobicContact CD2-CD1 4.01Å; L103-I108 PolarHBondContact O-N 3.36Å; L103-L109 HydrophobicContact CB-CB 4.47Å; L103-L109 HydrophobicContact CB-CD1 3.75Å; L103-L109 HydrophobicContact CB-CG 3.82Å; L103-L109 HydrophobicContact CD1-CD1 4.02Å; L103-L109 HydrophobicContact CD1-CG 4.4Å; L103-L109 PolarHBondContact O-N 3.01Å
104	F	95.3	Very high	92.3	Very high	33 Å²	33	44.6 Å²	44.6	15%	0.145	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-39.6	170.9	-81.9	-69.8	0	0	0	112.3	L100 T101 C102 L106 N107 L109 K111 D122 L123 I126	L100-F104 VanDerWaalsContact O-CD2 3.31Å; L100-F104 WeakPolarHBondContact O-CD2 3.22Å; L100-F104 PolarHBondContact O-N 3.19Å; L100-F104 VanDerWaalsContact O-N 3.14Å; T101-F104 PolarHBondContact O-N 3.11Å; C102-F104 VanDerWaalsContact C-N 3.34Å; C102-F104 PolarHBondContact O-N 2.76Å; F104-L106 VanDerWaalsContact C-N 3.29Å; F104-L106 PolarHBondContact O-N 2.8Å; F104-N107 PolarHBondContact O-N 3.41Å; F104-N107 VanDerWaalsContact O-N 3.1Å; F104-L109 HydrophobicContact CD1-CB 3.67Å; F104-L109 VanDerWaalsContact CD1-O 3.25Å; F104-L109 WeakPolarHBondContact CD1-O 3.2Å; F104-L109 HydrophobicContact CD2-CB 4.27Å; F104-L109 HydrophobicContact CD2-CD1 4.22Å; F104-L109 HydrophobicContact CE1-CB 3.61Å; F104-L109 HydrophobicContact CE2-CB 4.22Å; F104-L109 HydrophobicContact CE2-CD1 3.97Å; F104-L109 HydrophobicContact CG-CB 4Å; F104-L109 HydrophobicContact CZ-CB 3.89Å; F104-L109 HydrophobicContact CZ-CD1 4.24Å; F104-K111 HydrophobicContact CD1-CG 3.92Å; F104-K111 HydrophobicContact CE1-CG 3.68Å; F104-D122 HydrophobicContact CE1-CB 4.29Å; F104-D122 HydrophobicContact CZ-CB 4.27Å; F104-L123 HydrophobicContact CE2-CD1 4.44Å; F104-L123 HydrophobicContact CZ-CB 4.25Å; F104-L123 HydrophobicContact CZ-CD1 4.2Å; F104-I126 HydrophobicContact CE2-CG1 3.91Å; F104-I126 HydrophobicContact CZ-CG1 4.11Å
105	K	95.1	Very high	90.9	Very high	95 Å²	95	49.9 Å²	49.9	41%	0.413	26%	0.264	S	S	.	.	H	α-helix	trans	-63	-37	176.7	-80.7	171	162.6	-89.7	0	112.1	P61 T101 C102 N107 L259 L260	P61-K105 WeakPolarHBondContact CD-O 3.38Å; T101-K105 HydrophobicContact CG2-CD 4.34Å; T101-K105 WeakPolarHBondContact O-CG 3.48Å; T101-K105 PolarHBondContact O-N 3.15Å; C102-K105 WeakPolarHBondContact O-CB 3.28Å; C102-K105 PolarHBondContact O-N 3.48Å; C102-K105 VanDerWaalsContact O-N 3.14Å; K105-N107 PolarHBondContact O-N 3.24Å; K105-L259 HydrophobicContact CD-CB 4.32Å; K105-L259 VanDerWaalsContact CD-O 3.26Å; K105-L259 WeakPolarHBondContact CD-O 3.33Å; K105-L259 WeakPolarHBondContact CE-O 3.22Å; K105-L259 PolarHBondContact NZ-O 3.21Å; K105-L260 HydrophobicContact CD-CD2 4.12Å
106	L	94.8	Very high	89.2	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	1.8	175.8	-67.3	169.9	0	0	0	113.3	F50 F58 I63 A68 V72 C102 F104 I108 L259	F50-L106 HydrophobicContact CE1-CD1 3.97Å; F50-L106 HydrophobicContact CZ-CD1 3.93Å; F58-L106 HydrophobicContact CB-CD2 4.39Å; F58-L106 HydrophobicContact CD1-CB 4.08Å; F58-L106 HydrophobicContact CD1-CD2 3.77Å; F58-L106 WeakPolarHBondContact CD1-O 3.42Å; F58-L106 HydrophobicContact CD2-CD2 3.9Å; F58-L106 HydrophobicContact CE1-CB 3.74Å; F58-L106 HydrophobicContact CE1-CD2 3.98Å; F58-L106 HydrophobicContact CE1-CG 4.35Å; F58-L106 WeakPolarHBondContact CE1-O 3.34Å; F58-L106 HydrophobicContact CE2-CD2 4.11Å; F58-L106 HydrophobicContact CG-CD2 3.74Å; F58-L106 HydrophobicContact CZ-CB 4.26Å; F58-L106 HydrophobicContact CZ-CD1 4.46Å; F58-L106 HydrophobicContact CZ-CD2 4.14Å; I63-L106 HydrophobicContact CG2-CD2 3.73Å; A68-L106 HydrophobicContact CB-CD1 4.13Å; A68-L106 HydrophobicContact CB-CD2 3.99Å; V72-L106 HydrophobicContact CG2-CD1 3.74Å; C102-L106 WeakPolarHBondContact O-CB 3.12Å; C102-L106 VanDerWaalsContact O-CG 3.3Å; C102-L106 WeakPolarHBondContact O-CG 3.17Å; C102-L106 PolarHBondContact O-N 3.08Å; F104-L106 VanDerWaalsContact C-N 3.29Å; F104-L106 PolarHBondContact O-N 2.8Å; L106-I108 HydrophobicContact CB-CD1 4.04Å; L106-I108 HydrophobicContact CB-CG1 4.06Å; L106-I108 HydrophobicContact CD1-CD1 4.18Å; L106-I108 PolarHBondContact O-N 2.99Å; L106-I108 VanDerWaalsContact O-N 3.09Å; L106-L259 HydrophobicContact CD1-CD1 3.9Å; L106-L259 HydrophobicContact CD2-CD1 4.12Å; L106-L259 HydrophobicContact CD2-CD2 3.82Å; L106-L259 HydrophobicContact CG-CD1 3.96Å; L106-L259 HydrophobicContact CG-CD2 4.2Å
107	N	92	Very high	87.5	Confident	89 Å²	89	58.7 Å²	58.7	48%	0.476	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	18.4	-176	-63.5	-61.7	0	0	0	115	D60 L103 F104 K105	D60-N107 PolarHBondContact O-ND2 3.24Å; D60-N107 VanDerWaalsContact O-ND2 3.12Å; L103-N107 PolarHBondContact O-N 3.21Å; F104-N107 PolarHBondContact O-N 3.41Å; F104-N107 VanDerWaalsContact O-N 3.1Å; K105-N107 PolarHBondContact O-N 3.24Å
108	I	93.5	Very high	86.1	Confident	37 Å²	37	61.5 Å²	61.5	19%	0.19	35%	0.345	C	S	.	.	S	Bend	trans	-72.2	-48.2	172.6	-64.3	171.2	0	0	0	109.3	I49 F50 F58 L103 L106	I49-I108 HydrophobicContact CG2-CG2 3.89Å; F50-I108 HydrophobicContact CD1-CD1 3.57Å; F50-I108 HydrophobicContact CD2-CD1 4.24Å; F50-I108 HydrophobicContact CE1-CD1 3.48Å; F50-I108 VanDerWaalsContact CE1-CD1 3.48Å; F50-I108 HydrophobicContact CE2-CD1 4.16Å; F50-I108 HydrophobicContact CG-CD1 3.96Å; F50-I108 HydrophobicContact CZ-CD1 3.79Å; F58-I108 HydrophobicContact CE1-CD1 4.33Å; F58-I108 HydrophobicContact CE1-CG1 4.2Å; F58-I108 HydrophobicContact CZ-CD1 4.09Å; F58-I108 HydrophobicContact CZ-CG1 4.41Å; L103-I108 HydrophobicContact CD2-CD1 4.01Å; L103-I108 PolarHBondContact O-N 3.36Å; L106-I108 HydrophobicContact CB-CD1 4.04Å; L106-I108 HydrophobicContact CB-CG1 4.06Å; L106-I108 HydrophobicContact CD1-CD1 4.18Å; L106-I108 PolarHBondContact O-N 2.99Å; L106-I108 VanDerWaalsContact O-N 3.09Å
109	L	93.7	Very high	84.6	Confident	19 Å²	19	63.7 Å²	63.7	10%	0.099	36%	0.358	C	S	.	.	S	Bend	trans	-91.4	138.1	167.7	-62.7	178.7	0	0	0	109.4	V3 L103 F104 D122 I126	V3-L109 HydrophobicContact CG2-CD2 4.44Å; L103-L109 HydrophobicContact CB-CB 4.47Å; L103-L109 HydrophobicContact CB-CD1 3.75Å; L103-L109 HydrophobicContact CB-CG 3.82Å; L103-L109 HydrophobicContact CD1-CD1 4.02Å; L103-L109 HydrophobicContact CD1-CG 4.4Å; L103-L109 PolarHBondContact O-N 3.01Å; F104-L109 HydrophobicContact CD1-CB 3.67Å; F104-L109 VanDerWaalsContact CD1-O 3.25Å; F104-L109 WeakPolarHBondContact CD1-O 3.2Å; F104-L109 HydrophobicContact CD2-CB 4.27Å; F104-L109 HydrophobicContact CD2-CD1 4.22Å; F104-L109 HydrophobicContact CE1-CB 3.61Å; F104-L109 HydrophobicContact CE2-CB 4.22Å; F104-L109 HydrophobicContact CE2-CD1 3.97Å; F104-L109 HydrophobicContact CG-CB 4Å; F104-L109 HydrophobicContact CZ-CB 3.89Å; F104-L109 HydrophobicContact CZ-CD1 4.24Å; L109-D122 HydrophobicContact CB-CB 4.12Å; L109-D122 HydrophobicContact CD2-CB 4.11Å; L109-I126 HydrophobicContact CD1-CD1 3.93Å; L109-I126 HydrophobicContact CD1-CG1 4.4Å
110	K	90	Very high	83.3	Confident	123 Å²	123	69.6 Å²	69.6	54%	0.535	39%	0.389	S	S	.	.			trans	-118.7	134.6	-175	-64.4	-179.9	-176.9	174.7	0	111.1	D122	K110-D122 PolarHBondContact N-OD2 2.59Å; K110-D122 VanDerWaalsContact O-CB 3.27Å; K110-D122 WeakPolarHBondContact O-CB 3.45Å; K110-D122 PolarHBondContact O-N 3.19Å; K110-D122 VanDerWaalsContact O-N 3.08Å
111	K	86.2	Confident	82.8	Confident	117 Å²	117	71.1 Å²	71.1	51%	0.509	40%	0.397	S	S	.	.			trans	-83.3	141.5	167.8	-59.7	-178.3	-178.7	175.1	0	107.3	F104 T113 L123	F104-K111 HydrophobicContact CD1-CG 3.92Å; F104-K111 HydrophobicContact CE1-CG 3.68Å; K111-T113 PolarHBondContact O-N 3.35Å; K111-L123 HydrophobicContact CD-CD2 4.38Å; K111-L123 HydrophobicContact CG-CB 4.31Å; K111-L123 HydrophobicContact CG-CD2 4.48Å
112	Q	78.5	Confident	82.6	Confident	76 Å²	76	69.7 Å²	69.7	36%	0.355	39%	0.387	S	S	.	.			trans	-62.9	112.5	169.5	-174.8	178.6	5.1	0	0	108.5	D114 N121	Q112-D114 WeakPolarHBondContact CG-O 3.47Å; Q112-D114 PolarHBondContact NE2-O 2.96Å; Q112-N121 HydrophobicContact CB-CB 3.88Å; Q112-N121 WeakPolarHBondContact CB-ND2 3.33Å; Q112-N121 PolarHBondContact OE1-ND2 3.26Å; Q112-N121 VanDerWaalsContact OE1-ND2 3.12Å
113	T	70.1	Confident	82.4	Confident	117 Å²	117	73.9 Å²	73.9	72%	0.718	41%	0.409	S	S	*	.			trans	-98	-25.5	176.7	53.1	0	0	0	0	112.2	K111	K111-T113 PolarHBondContact O-N 3.35Å
114	D	68.5	Low	82.2	Confident	99 Å²	99	78.7 Å²	78.7	53%	0.529	43%	0.434	S	S	.	.	S	Bend	trans	-110.6	146.8	-171.9	-59.5	-13.5	0	0	0	110.7	Q112 D116	Q112-D114 WeakPolarHBondContact CG-O 3.47Å; Q112-D114 PolarHBondContact NE2-O 2.96Å; D114-D116 PolarHBondContact O-N 2.98Å
115	S	66.9	Low	82.2	Confident	132 Å²	132	78.7 Å²	78.7	92%	0.923	44%	0.44	S	S	*	.	S	Bend	trans	-62.4	-11.5	176.9	-35.2	0	0	0	0	113.3	A117	S115-A117 PolarHBondContact O-N 2.75Å
116	D	63.1	Low	82.3	Confident	103 Å²	103	74.6 Å²	74.6	55%	0.551	42%	0.423	S	S	*	.			trans	-75.9	122	178.3	-168.3	12.4	0	0	0	110.1	D114 S118	D114-D116 PolarHBondContact O-N 2.98Å; D116-S118 VanDerWaalsContact CG-OG 3.26Å; D116-S118 PolarHBondContact O-N 3.27Å; D116-S118 PolarHBondContact OD2-OG 3.38Å
117	A	64.3	Low	82.3	Confident	90 Å²	90	75.1 Å²	75.1	74%	0.744	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-2.6	-175.6	0	0	0	0	0	113.4	S115	S115-A117 PolarHBondContact O-N 2.75Å
118	S	68.7	Low	82.4	Confident	87 Å²	87	75.7 Å²	75.7	61%	0.608	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.9	179.5	64.1	0	0	0	0	113.8	D116	D116-S118 VanDerWaalsContact CG-OG 3.26Å; D116-S118 PolarHBondContact O-N 3.27Å; D116-S118 PolarHBondContact OD2-OG 3.38Å
119	T	65.7	Low	82.6	Confident	50 Å²	50	77.3 Å²	77.3	31%	0.307	44%	0.443	S	S	.	.	S	Bend	trans	-84.1	123.8	179.9	-57.9	0	0	0	0	110.9	N121	T119-N121 PolarHBondContact O-N 3.29Å
120	I	73.1	Confident	82.8	Confident	125 Å²	125	76.9 Å²	76.9	64%	0.641	44%	0.441	S	S	*	.			trans	-59.1	122.5	175.6	-60	173.8	0	0	0	109.1	D122	I120-D122 WeakPolarHBondContact CG2-OD1 3.5Å; I120-D122 PolarHBondContact O-N 3.18Å
121	N	87.7	Confident	83.2	Confident	37 Å²	37	71.1 Å²	71.1	20%	0.198	42%	0.416	C	S	.	.			trans	-87.5	83.6	175.8	-168	-26.6	0	0	0	109.7	Q112 T119 L123 L124 A125	Q112-N121 HydrophobicContact CB-CB 3.88Å; Q112-N121 WeakPolarHBondContact CB-ND2 3.33Å; Q112-N121 PolarHBondContact OE1-ND2 3.26Å; Q112-N121 VanDerWaalsContact OE1-ND2 3.12Å; T119-N121 PolarHBondContact O-N 3.29Å; N121-L123 PolarHBondContact O-N 3.3Å; N121-L123 WeakPolarHBondContact OD1-CB 3.36Å; N121-L123 PolarHBondContact OD1-N 3.28Å; N121-L124 HydrophobicContact CB-CB 4.34Å; N121-L124 HydrophobicContact CB-CD1 4.1Å; N121-L124 HydrophobicContact CB-CG 4.3Å; N121-L124 WeakPolarHBondContact ND2-CD1 3.43Å; N121-L124 PolarHBondContact O-N 3.03Å; N121-L124 VanDerWaalsContact O-N 3.14Å; N121-L124 PolarHBondContact OD1-N 2.96Å; N121-A125 PolarHBondContact O-N 3.24Å; N121-A125 VanDerWaalsContact O-N 3.17Å
122	D	93.3	Very high	83.8	Confident	30 Å²	30	68 Å²	68	16%	0.16	41%	0.408	C	S	.	.	H	α-helix	trans	-61.8	-26.9	-178.8	-65.8	-46.5	0	0	0	111.7	F104 L109 K110 I120 L124 A125 I126	F104-D122 HydrophobicContact CE1-CB 4.29Å; F104-D122 HydrophobicContact CZ-CB 4.27Å; L109-D122 HydrophobicContact CB-CB 4.12Å; L109-D122 HydrophobicContact CD2-CB 4.11Å; K110-D122 PolarHBondContact N-OD2 2.59Å; K110-D122 VanDerWaalsContact O-CB 3.27Å; K110-D122 WeakPolarHBondContact O-CB 3.45Å; K110-D122 PolarHBondContact O-N 3.19Å; K110-D122 VanDerWaalsContact O-N 3.08Å; I120-D122 WeakPolarHBondContact CG2-OD1 3.5Å; I120-D122 PolarHBondContact O-N 3.18Å; D122-L124 PolarHBondContact O-N 3.24Å; D122-A125 CarbonylContact O-C 3.56Å; D122-A125 PolarHBondContact O-N 3.39Å; D122-I126 VanDerWaalsContact O-CG1 3.32Å; D122-I126 WeakPolarHBondContact O-CG1 3.33Å; D122-I126 PolarHBondContact O-N 3.31Å
123	L	92.9	Very high	84.7	Confident	88 Å²	88	65.2 Å²	65.2	46%	0.461	39%	0.394	S	S	.	.	H	α-helix	trans	-62.4	-42.6	176.7	-174	65.5	0	0	0	112.1	F104 K111 N121 I126 G127	F104-L123 HydrophobicContact CE2-CD1 4.44Å; F104-L123 HydrophobicContact CZ-CB 4.25Å; F104-L123 HydrophobicContact CZ-CD1 4.2Å; K111-L123 HydrophobicContact CD-CD2 4.38Å; K111-L123 HydrophobicContact CG-CB 4.31Å; K111-L123 HydrophobicContact CG-CD2 4.48Å; N121-L123 PolarHBondContact O-N 3.3Å; N121-L123 WeakPolarHBondContact OD1-CB 3.36Å; N121-L123 PolarHBondContact OD1-N 3.28Å; L123-I126 PolarHBondContact O-N 2.86Å; L123-G127 PolarHBondContact O-N 3.16Å
124	L	93	Very high	86.1	Confident	101 Å²	101	59.6 Å²	59.6	53%	0.529	36%	0.36	S	S	.	.	H	α-helix	trans	-66.9	-41.3	172.7	-70.5	176.9	0	0	0	111.1	N121 D122 I126 G127 L128	N121-L124 HydrophobicContact CB-CB 4.34Å; N121-L124 HydrophobicContact CB-CD1 4.1Å; N121-L124 HydrophobicContact CB-CG 4.3Å; N121-L124 WeakPolarHBondContact ND2-CD1 3.43Å; N121-L124 PolarHBondContact O-N 3.03Å; N121-L124 VanDerWaalsContact O-N 3.14Å; N121-L124 PolarHBondContact OD1-N 2.96Å; D122-L124 PolarHBondContact O-N 3.24Å; L124-I126 VanDerWaalsContact C-N 3.27Å; L124-I126 PolarHBondContact O-N 3.45Å; L124-G127 PolarHBondContact O-N 3.45Å; L124-L128 WeakPolarHBondContact O-CB 3.38Å; L124-L128 WeakPolarHBondContact O-CG 3.19Å; L124-L128 PolarHBondContact O-N 3.31Å
125	A	94.7	Very high	87.5	Confident	33 Å²	33	55 Å²	55	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-62.7	-32.9	177.3	0	0	0	0	0	112.4	N121 D122 V129 I130	N121-A125 PolarHBondContact O-N 3.24Å; N121-A125 VanDerWaalsContact O-N 3.17Å; D122-A125 CarbonylContact O-C 3.56Å; D122-A125 PolarHBondContact O-N 3.39Å; A125-V129 WeakPolarHBondContact O-CA 3.32Å; A125-V129 VanDerWaalsContact O-CB 3.3Å; A125-V129 WeakPolarHBondContact O-CB 3.41Å; A125-V129 PolarHBondContact O-N 2.81Å; A125-I130 PolarHBondContact O-N 2.97Å
126	I	97.2	Very high	89	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.051	31%	0.31	C	S	.	.	I	π-helix	trans	-58.7	-50.5	173	-72	-41.6	0	0	0	110.7	L100 F104 L109 D122 L123 L124 I130 M131 W168	L100-I126 HydrophobicContact CD1-CD1 4.16Å; L100-I126 HydrophobicContact CD1-CG1 4.49Å; L100-I126 HydrophobicContact CD1-CG2 3.7Å; L100-I126 HydrophobicContact CD2-CD1 3.8Å; L100-I126 HydrophobicContact CG-CD1 4.5Å; F104-I126 HydrophobicContact CE2-CG1 3.91Å; F104-I126 HydrophobicContact CZ-CG1 4.11Å; L109-I126 HydrophobicContact CD1-CD1 3.93Å; L109-I126 HydrophobicContact CD1-CG1 4.4Å; D122-I126 VanDerWaalsContact O-CG1 3.32Å; D122-I126 WeakPolarHBondContact O-CG1 3.33Å; D122-I126 PolarHBondContact O-N 3.31Å; L123-I126 PolarHBondContact O-N 2.86Å; L124-I126 VanDerWaalsContact C-N 3.27Å; L124-I126 PolarHBondContact O-N 3.45Å; I126-I130 HydrophobicContact CD1-CB 3.99Å; I126-I130 HydrophobicContact CD1-CG1 3.71Å; I126-I130 HydrophobicContact CD1-CG2 4.25Å; I126-M131 WeakPolarHBondContact O-CB 3.27Å; I126-M131 PolarHBondContact O-N 3.33Å; I126-W168 HydrophobicContact CG2-CH2 3.82Å; I126-W168 HydrophobicContact CG2-CZ3 3.97Å
127	G	95.5	Very high	90.7	Very high	15 Å²	15	46 Å²	46	16%	0.155	28%	0.283	C	S	.	.	I	π-helix	trans	-70	-42	-179.1	0	0	0	0	0	113.4	L123 L124 P132	L123-G127 PolarHBondContact O-N 3.16Å; L124-G127 PolarHBondContact O-N 3.45Å; G127-P132 WeakPolarHBondContact O-CD 3.28Å
128	L	94.9	Very high	92.3	Very high	100 Å²	100	41.8 Å²	41.8	52%	0.524	25%	0.248	S	C	.	.	I	π-helix	trans	-96.2	-17.8	-168.5	-59.7	179.3	0	0	0	114.6	L124 Q172	L124-L128 WeakPolarHBondContact O-CB 3.38Å; L124-L128 WeakPolarHBondContact O-CG 3.19Å; L124-L128 PolarHBondContact O-N 3.31Å; L128-Q172 VanDerWaalsContact CD2-NE2 3.35Å
129	V	96.7	Very high	93.7	Very high	72 Å²	72	39.1 Å²	39.1	44%	0.436	23%	0.225	S	C	.	.	I	π-helix	trans	-125.5	-53.2	-175.3	-177.7	0	0	0	0	111.5	Y4 A125 K133	Y4-V129 HydrophobicContact CD2-CG1 3.94Å; Y4-V129 HydrophobicContact CE2-CG1 4.32Å; A125-V129 WeakPolarHBondContact O-CA 3.32Å; A125-V129 VanDerWaalsContact O-CB 3.3Å; A125-V129 WeakPolarHBondContact O-CB 3.41Å; A125-V129 PolarHBondContact O-N 2.81Å; V129-K133 WeakPolarHBondContact O-CB 3.42Å; V129-K133 PolarHBondContact O-N 3.45Å
130	I	98.2	Very high	95.3	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.051	23%	0.226	C	C	.	.	I	π-helix	trans	-72.3	-43	-175.7	-58.6	-54.6	0	0	0	111.5	V3 Y4 L7 F96 L100 A125 I126 K133 Y134	V3-I130 HydrophobicContact CB-CD1 4.06Å; V3-I130 HydrophobicContact CG1-CD1 4.07Å; V3-I130 HydrophobicContact CG1-CG1 4.34Å; V3-I130 HydrophobicContact CG1-CG2 3.8Å; Y4-I130 HydrophobicContact CD2-CD1 4.46Å; L7-I130 HydrophobicContact CD1-CG2 3.87Å; F96-I130 HydrophobicContact CE1-CG2 4.17Å; F96-I130 HydrophobicContact CZ-CG2 3.82Å; L100-I130 HydrophobicContact CD2-CG2 4.34Å; A125-I130 PolarHBondContact O-N 2.97Å; I126-I130 HydrophobicContact CD1-CB 3.99Å; I126-I130 HydrophobicContact CD1-CG1 3.71Å; I126-I130 HydrophobicContact CD1-CG2 4.25Å; I130-K133 PolarHBondContact O-N 3.17Å; I130-Y134 WeakPolarHBondContact O-CB 3.47Å; I130-Y134 PolarHBondContact O-N 3.43Å
131	M	98.2	Very high	96.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-47.4	179	-178.9	60.7	75.5	0	0	112.8	L97 I126 K133 Y134 L135 V164 P165 W168 L197	L97-M131 HydrophobicContact CD2-CE 4.29Å; I126-M131 WeakPolarHBondContact O-CB 3.27Å; I126-M131 PolarHBondContact O-N 3.33Å; M131-K133 VanDerWaalsContact C-N 3.32Å; M131-K133 PolarHBondContact O-N 2.78Å; M131-Y134 PolarHBondContact O-N 3.05Å; M131-Y134 HydrophobicContact SD-CD1 3.93Å; M131-L135 HydrophobicContact CG-CD1 4.18Å; M131-L135 HydrophobicContact CG-CG 4.41Å; M131-L135 WeakPolarHBondContact O-CB 3.46Å; M131-L135 VanDerWaalsContact O-CG 3.27Å; M131-L135 WeakPolarHBondContact O-CG 3.4Å; M131-L135 PolarHBondContact O-N 3.26Å; M131-L135 HydrophobicContact SD-CD1 4.36Å; M131-L135 HydrophobicContact SD-CD2 4.39Å; M131-L135 HydrophobicContact SD-CG 4.07Å; M131-V164 HydrophobicContact CE-CB 4.43Å; M131-V164 HydrophobicContact CE-CG1 3.93Å; M131-P165 HydrophobicContact CG-CG 4.47Å; M131-P165 HydrophobicContact SD-CG 3.99Å; M131-W168 HydrophobicContact CB-CE3 4.13Å; M131-W168 HydrophobicContact CB-CZ3 3.83Å; M131-W168 HydrophobicContact CE-CE3 3.77Å; M131-W168 HydrophobicContact CE-CH2 3.6Å; M131-W168 HydrophobicContact CE-CZ2 4.48Å; M131-W168 HydrophobicContact CE-CZ3 3.21Å; M131-W168 HydrophobicContact CG-CE3 3.99Å; M131-W168 HydrophobicContact CG-CZ3 3.98Å; M131-W168 HydrophobicContact SD-CZ3 4.43Å; M131-L197 HydrophobicContact CG-CD1 4.16Å; M131-L197 HydrophobicContact CG-CD2 4.01Å
132	P	98	Very high	96.9	Very high	53 Å²	53	32.3 Å²	32.3	34%	0.344	19%	0.187	S	C	.	.	H	α-helix	trans	-55.7	-43.1	171.4	-27.4	34.8	0	0	0	113.8	G127 L135 A136 L197	G127-P132 WeakPolarHBondContact O-CD 3.28Å; P132-L135 PolarHBondContact O-N 3.23Å; P132-A136 PolarHBondContact O-N 2.82Å; P132-L197 HydrophobicContact CG-CD2 3.82Å
133	K	98.4	Very high	97.1	Very high	16 Å²	16	34 Å²	34	7%	0.07	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-43.6	178.1	178.7	58.3	173.4	178.2	0	112.1	Y4 L7 D8 V129 I130 M131 A136 L137	Y4-K133 HydrophobicContact CD2-CB 3.92Å; Y4-K133 HydrophobicContact CD2-CD 4.45Å; Y4-K133 HydrophobicContact CD2-CG 3.82Å; Y4-K133 HydrophobicContact CE1-CD 4.46Å; Y4-K133 HydrophobicContact CE2-CB 3.74Å; Y4-K133 HydrophobicContact CE2-CD 3.87Å; Y4-K133 HydrophobicContact CE2-CG 3.68Å; Y4-K133 HydrophobicContact CG-CG 4.42Å; L7-K133 HydrophobicContact CB-CG 3.75Å; L7-K133 HydrophobicContact CD1-CB 4.13Å; L7-K133 HydrophobicContact CD1-CG 3.8Å; L7-K133 HydrophobicContact CG-CG 4.46Å; D8-K133 IonicContact OD1-NZ 2.97Å; D8-K133 PolarHBondContact OD1-NZ 3.33Å; V129-K133 WeakPolarHBondContact O-CB 3.42Å; V129-K133 PolarHBondContact O-N 3.45Å; I130-K133 PolarHBondContact O-N 3.17Å; M131-K133 VanDerWaalsContact C-N 3.32Å; M131-K133 PolarHBondContact O-N 2.78Å; K133-A136 PolarHBondContact O-N 3.41Å; K133-L137 PolarHBondContact O-N 2.95Å; K133-L137 VanDerWaalsContact O-N 3.09Å
134	Y	98.7	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-45.9	174.3	170.1	-103.2	0	0	0	111.4	L7 S79 F80 Y88 E93 F96 I130 M131 A136 L137 V138	L7-Y134 HydrophobicContact CD2-CD2 4.43Å; S79-Y134 PolarHBondContact O-OH 2.88Å; F80-Y134 HydrophobicContact CD1-CE2 4.46Å; F80-Y134 HydrophobicContact CE1-CD2 4.04Å; F80-Y134 AromaticContact CE1-CE2 3.87Å; F80-Y134 HydrophobicContact CE1-CE2 3.87Å; F80-Y134 HydrophobicContact CZ-CD2 4.47Å; F80-Y134 HydrophobicContact CZ-CE2 4.39Å; Y88-Y134 PolarHBondContact OH-OH 3.04Å; E93-Y134 WeakPolarHBondContact CA-OH 3.31Å; F96-Y134 HydrophobicContact CB-CD2 4.5Å; F96-Y134 HydrophobicContact CB-CE2 3.78Å; F96-Y134 AromaticContact CD1-CD1 3.89Å; F96-Y134 HydrophobicContact CD1-CD1 3.89Å; F96-Y134 AromaticContact CD1-CD2 3.61Å; F96-Y134 HydrophobicContact CD1-CD2 3.61Å; F96-Y134 AromaticContact CD1-CE1 3.98Å; F96-Y134 HydrophobicContact CD1-CE1 3.98Å; F96-Y134 AromaticContact CD1-CE2 3.72Å; F96-Y134 HydrophobicContact CD1-CE2 3.72Å; F96-Y134 AromaticContact CD1-CG 3.67Å; F96-Y134 HydrophobicContact CD1-CG 3.67Å; F96-Y134 AromaticContact CD1-CZ 3.86Å; F96-Y134 AromaticContact CD2-CD2 3.78Å; F96-Y134 HydrophobicContact CD2-CD2 3.78Å; F96-Y134 AromaticContact CD2-CE2 3.72Å; F96-Y134 HydrophobicContact CD2-CE2 3.72Å; F96-Y134 HydrophobicContact CE1-CD1 4.06Å; F96-Y134 AromaticContact CE1-CD2 3.63Å; F96-Y134 HydrophobicContact CE1-CD2 3.63Å; F96-Y134 HydrophobicContact CE1-CE2 4.23Å; F96-Y134 AromaticContact CE1-CG 3.51Å; F96-Y134 HydrophobicContact CE1-CG 3.51Å; F96-Y134 AromaticContact CE2-CD2 3.81Å; F96-Y134 HydrophobicContact CE2-CD2 3.81Å; F96-Y134 HydrophobicContact CE2-CE2 4.25Å; F96-Y134 HydrophobicContact CE2-CG 4.48Å; F96-Y134 AromaticContact CG-CD2 3.68Å; F96-Y134 HydrophobicContact CG-CD2 3.68Å; F96-Y134 HydrophobicContact CG-CE1 4.37Å; F96-Y134 AromaticContact CG-CE2 3.44Å; F96-Y134 HydrophobicContact CG-CE2 3.44Å; F96-Y134 VanDerWaalsContact CG-CE2 3.44Å; F96-Y134 HydrophobicContact CG-CG 4.23Å; F96-Y134 AromaticContact CG-CZ 3.78Å; F96-Y134 AromaticContact CZ-CD2 3.74Å; F96-Y134 HydrophobicContact CZ-CD2 3.74Å; F96-Y134 HydrophobicContact CZ-CE2 4.48Å; F96-Y134 AromaticContact CZ-CG 3.96Å; F96-Y134 HydrophobicContact CZ-CG 3.96Å; I130-Y134 WeakPolarHBondContact O-CB 3.47Å; I130-Y134 PolarHBondContact O-N 3.43Å; M131-Y134 PolarHBondContact O-N 3.05Å; M131-Y134 HydrophobicContact SD-CD1 3.93Å; Y134-A136 VanDerWaalsContact C-N 3.34Å; Y134-A136 PolarHBondContact O-N 3.1Å; Y134-L137 WeakPolarHBondContact O-CB 3.23Å; Y134-L137 PolarHBondContact O-N 2.98Å; Y134-L137 VanDerWaalsContact O-N 3.17Å; Y134-V138 HydrophobicContact CD2-CG1 4.05Å; Y134-V138 HydrophobicContact CE1-CG1 4.15Å; Y134-V138 HydrophobicContact CE1-CG2 4.41Å; Y134-V138 HydrophobicContact CE2-CG1 3.56Å; Y134-V138 WeakPolarHBondContact O-CG2 3.39Å; Y134-V138 PolarHBondContact O-N 2.72Å
135	L	98.6	Very high	97.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-41.5	177.1	-70.5	174.7	0	0	0	112.2	M131 P132 L137 V138 R139 Q162 P165 L197	M131-L135 HydrophobicContact CG-CD1 4.18Å; M131-L135 HydrophobicContact CG-CG 4.41Å; M131-L135 WeakPolarHBondContact O-CB 3.46Å; M131-L135 VanDerWaalsContact O-CG 3.27Å; M131-L135 WeakPolarHBondContact O-CG 3.4Å; M131-L135 PolarHBondContact O-N 3.26Å; M131-L135 HydrophobicContact SD-CD1 4.36Å; M131-L135 HydrophobicContact SD-CD2 4.39Å; M131-L135 HydrophobicContact SD-CG 4.07Å; P132-L135 PolarHBondContact O-N 3.23Å; L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 3.44Å; L135-V138 HydrophobicContact CD2-CG2 4.46Å; L135-V138 WeakPolarHBondContact O-CG2 3.48Å; L135-R139 VanDerWaalsContact O-CB 3.23Å; L135-R139 WeakPolarHBondContact O-CB 3.32Å; L135-R139 WeakPolarHBondContact O-CD 3.46Å; L135-R139 WeakPolarHBondContact O-CG 3.46Å; L135-R139 PolarHBondContact O-N 3.21Å; L135-Q162 HydrophobicContact CD2-CG 3.89Å; L135-P165 HydrophobicContact CD1-CB 3.95Å; L135-P165 HydrophobicContact CD1-CG 3.72Å; L135-P165 HydrophobicContact CD2-CG 3.65Å; L135-P165 HydrophobicContact CG-CG 4.16Å; L135-L197 HydrophobicContact CD1-CD2 4.01Å
136	A	98.2	Very high	97.6	Very high	47 Å²	47	30.5 Å²	30.5	39%	0.388	17%	0.169	S	C	.	.	H	α-helix	trans	-59.4	-45	174.6	0	0	0	0	0	111.7	P132 K133 Y134 L140	P132-A136 PolarHBondContact O-N 2.82Å; K133-A136 PolarHBondContact O-N 3.41Å; Y134-A136 VanDerWaalsContact C-N 3.34Å; Y134-A136 PolarHBondContact O-N 3.1Å; A136-L140 WeakPolarHBondContact O-CB 3.37Å; A136-L140 PolarHBondContact O-N 3.42Å
137	L	98.7	Very high	97.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-53.2	177.8	172.7	54.5	0	0	0	112.3	L7 L10 Q11 I14 F80 K133 Y134 L135 R139 L140 L141	L7-L137 HydrophobicContact CD2-CD2 4.07Å; L10-L137 HydrophobicContact CB-CD2 3.72Å; L10-L137 HydrophobicContact CD1-CD2 4.3Å; Q11-L137 HydrophobicContact CB-CD1 3.87Å; Q11-L137 HydrophobicContact CG-CD1 4.17Å; I14-L137 HydrophobicContact CD1-CD1 3.59Å; F80-L137 HydrophobicContact CD1-CD2 4.18Å; F80-L137 HydrophobicContact CD1-CG 4.39Å; F80-L137 HydrophobicContact CE1-CD2 3.41Å; F80-L137 VanDerWaalsContact CE1-CD2 3.41Å; F80-L137 HydrophobicContact CE1-CG 3.98Å; F80-L137 HydrophobicContact CZ-CD2 3.94Å; K133-L137 PolarHBondContact O-N 2.95Å; K133-L137 VanDerWaalsContact O-N 3.09Å; Y134-L137 WeakPolarHBondContact O-CB 3.23Å; Y134-L137 PolarHBondContact O-N 2.98Å; Y134-L137 VanDerWaalsContact O-N 3.17Å; L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 3.44Å; L137-R139 VanDerWaalsContact C-N 3.33Å; L137-R139 PolarHBondContact O-N 3.46Å; L137-L140 WeakPolarHBondContact O-CB 3.33Å; L137-L140 PolarHBondContact O-N 2.98Å; L137-L140 VanDerWaalsContact O-N 3.13Å; L137-L141 HydrophobicContact CD1-CD1 4.29Å; L137-L141 HydrophobicContact CD1-CG 4.28Å; L137-L141 HydrophobicContact CG-CD1 4.42Å; L137-L141 PolarHBondContact O-N 3.13Å
138	V	98.6	Very high	97.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-34.3	-177.6	-60.4	0	0	0	0	112.1	F80 Y88 Y134 L135 L140 L141 Q142 Q162	F80-V138 HydrophobicContact CD1-CG1 4.05Å; F80-V138 HydrophobicContact CE1-CG1 4.27Å; Y88-V138 HydrophobicContact CE2-CB 4.24Å; Y88-V138 HydrophobicContact CE2-CG1 3.86Å; Y134-V138 HydrophobicContact CD2-CG1 4.05Å; Y134-V138 HydrophobicContact CE1-CG1 4.15Å; Y134-V138 HydrophobicContact CE1-CG2 4.41Å; Y134-V138 HydrophobicContact CE2-CG1 3.56Å; Y134-V138 WeakPolarHBondContact O-CG2 3.39Å; Y134-V138 PolarHBondContact O-N 2.72Å; L135-V138 HydrophobicContact CD2-CG2 4.46Å; L135-V138 WeakPolarHBondContact O-CG2 3.48Å; V138-L140 VanDerWaalsContact C-N 3.33Å; V138-L141 PolarHBondContact O-N 3.05Å; V138-Q142 WeakPolarHBondContact O-CB 3.37Å; V138-Q142 WeakPolarHBondContact O-CG 3.39Å; V138-Q142 PolarHBondContact O-N 2.87Å; V138-Q162 VanDerWaalsContact CG2-NE2 3.26Å
139	R	98.3	Very high	97.5	Very high	32 Å²	32	31.6 Å²	31.6	12%	0.121	17%	0.172	C	C	.	.	H	α-helix	trans	-65.9	-37.2	172.8	-69.6	171.3	-179.7	159.1	1.7	111.7	L135 L137 Q142 T143 S200 C201 Y204	L135-R139 VanDerWaalsContact O-CB 3.23Å; L135-R139 WeakPolarHBondContact O-CB 3.32Å; L135-R139 WeakPolarHBondContact O-CD 3.46Å; L135-R139 WeakPolarHBondContact O-CG 3.46Å; L135-R139 PolarHBondContact O-N 3.21Å; L137-R139 VanDerWaalsContact C-N 3.33Å; L137-R139 PolarHBondContact O-N 3.46Å; R139-Q142 PolarHBondContact O-N 3.4Å; R139-T143 WeakPolarHBondContact O-CB 3.27Å; R139-T143 WeakPolarHBondContact O-CG2 3.34Å; R139-T143 PolarHBondContact O-N 3.05Å; R139-T143 PolarHBondContact O-OG1 3.17Å; R139-S200 PolarHBondContact NH1-OG 2.92Å; R139-S200 PolarHBondContact NH2-O 3.46Å; R139-C201 PolarHBondContact NH2-SG 2.72Å; R139-Y204 HydrophobicContact CB-CD2 4.38Å; R139-Y204 HydrophobicContact CB-CE1 4.46Å; R139-Y204 HydrophobicContact CB-CE2 3.74Å; R139-Y204 HydrophobicContact CG-CD1 4.04Å; R139-Y204 HydrophobicContact CG-CD2 3.99Å; R139-Y204 HydrophobicContact CG-CE1 3.72Å; R139-Y204 HydrophobicContact CG-CE2 3.68Å; R139-Y204 HydrophobicContact CG-CG 4.15Å
140	L	98.1	Very high	97.3	Very high	61 Å²	61	29.7 Å²	29.7	32%	0.319	17%	0.165	S	C	.	.	H	α-helix	trans	-64.7	-43.6	173.8	-176.7	61.2	0	0	0	111.2	Q11 I14 A136 L137 V138 T143 T144	Q11-L140 HydrophobicContact CG-CD2 3.8Å; I14-L140 HydrophobicContact CD1-CB 4.41Å; I14-L140 HydrophobicContact CD1-CD2 3.79Å; I14-L140 HydrophobicContact CD1-CG 3.96Å; A136-L140 WeakPolarHBondContact O-CB 3.37Å; A136-L140 PolarHBondContact O-N 3.42Å; L137-L140 WeakPolarHBondContact O-CB 3.33Å; L137-L140 PolarHBondContact O-N 2.98Å; L137-L140 VanDerWaalsContact O-N 3.13Å; V138-L140 VanDerWaalsContact C-N 3.33Å; L140-T143 PolarHBondContact O-OG1 3.22Å; L140-T144 WeakPolarHBondContact CD1-OG1 3.27Å; L140-T144 WeakPolarHBondContact O-CB 3.22Å; L140-T144 PolarHBondContact O-N 3.42Å; L140-T144 PolarHBondContact O-OG1 3.09Å
141	L	98.4	Very high	96.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-48.6	173.8	-70.1	171.2	0	0	0	111.7	I14 W34 F80 L137 V138 T143 Y145 M147	I14-L141 HydrophobicContact CD1-CD2 3.49Å; I14-L141 VanDerWaalsContact CD1-CD2 3.49Å; I14-L141 HydrophobicContact CD1-CG 3.83Å; I14-L141 HydrophobicContact CG1-CD2 3.82Å; W34-L141 HydrophobicContact CD2-CD2 3.96Å; W34-L141 HydrophobicContact CE3-CD2 4.01Å; W34-L141 HydrophobicContact CH2-CD1 3.73Å; W34-L141 HydrophobicContact CH2-CD2 4.1Å; W34-L141 HydrophobicContact CZ2-CD1 4.24Å; W34-L141 HydrophobicContact CZ2-CD2 4.03Å; W34-L141 HydrophobicContact CZ3-CD1 4Å; W34-L141 HydrophobicContact CZ3-CD2 4.09Å; F80-L141 HydrophobicContact CB-CD1 4.11Å; F80-L141 HydrophobicContact CD1-CD1 3.91Å; F80-L141 HydrophobicContact CG-CD1 4.4Å; L137-L141 HydrophobicContact CD1-CD1 4.29Å; L137-L141 HydrophobicContact CD1-CG 4.28Å; L137-L141 HydrophobicContact CG-CD1 4.42Å; L137-L141 PolarHBondContact O-N 3.13Å; V138-L141 PolarHBondContact O-N 3.05Å; L141-T143 VanDerWaalsContact C-N 3.34Å; L141-T143 PolarHBondContact O-N 3.46Å; L141-Y145 HydrophobicContact CD2-CD2 3.84Å; L141-Y145 HydrophobicContact CD2-CE2 3.57Å; L141-Y145 WeakPolarHBondContact O-CB 3.45Å; L141-Y145 PolarHBondContact O-N 3.47Å; L141-M147 HydrophobicContact CB-SD 3.83Å
142	Q	97.2	Very high	94.8	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-56.9	-46.3	179.9	-72.3	157.4	11.3	0	0	111.9	V138 R139 R146 M147 F161 Y204	V138-Q142 WeakPolarHBondContact O-CB 3.37Å; V138-Q142 WeakPolarHBondContact O-CG 3.39Å; V138-Q142 PolarHBondContact O-N 2.87Å; R139-Q142 PolarHBondContact O-N 3.4Å; Q142-R146 CarbonylContact O-C 3.44Å; Q142-R146 WeakPolarHBondContact O-CA 3.41Å; Q142-R146 PolarHBondContact O-N 2.96Å; Q142-M147 PolarHBondContact O-N 2.91Å; Q142-F161 HydrophobicContact CB-CE2 4.4Å; Q142-F161 HydrophobicContact CB-CZ 4.4Å; Q142-F161 HydrophobicContact CG-CD1 4.3Å; Q142-F161 HydrophobicContact CG-CD2 4.23Å; Q142-F161 HydrophobicContact CG-CE1 4.12Å; Q142-F161 HydrophobicContact CG-CE2 4.08Å; Q142-F161 HydrophobicContact CG-CG 4.33Å; Q142-F161 HydrophobicContact CG-CZ 4.02Å; Q142-Y204 PolarHBondContact OE1-OH 3.28Å
143	T	96	Very high	93.3	Very high	64 Å²	64	38.8 Å²	38.8	39%	0.393	23%	0.229	S	C	.	.	H	α-helix	trans	-76.3	-47.7	-178.8	51.1	0	0	0	0	112.5	R139 L140 L141 Y145 R146 Y204	R139-T143 WeakPolarHBondContact O-CB 3.27Å; R139-T143 WeakPolarHBondContact O-CG2 3.34Å; R139-T143 PolarHBondContact O-N 3.05Å; R139-T143 PolarHBondContact O-OG1 3.17Å; L140-T143 PolarHBondContact O-OG1 3.22Å; L141-T143 VanDerWaalsContact C-N 3.34Å; L141-T143 PolarHBondContact O-N 3.46Å; T143-Y145 PolarHBondContact O-N 3.1Å; T143-R146 PolarHBondContact O-N 3.33Å; T143-Y204 HydrophobicContact CG2-CE2 4.37Å
144	T	97.1	Very high	91.9	Very high	34 Å²	34	40.7 Å²	40.7	21%	0.209	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-46.1	-179.2	-58.8	0	0	0	0	111.2	I14 P19 L140	I14-T144 HydrophobicContact CG2-CG2 4.01Å; P19-T144 HydrophobicContact CG-CG2 3.54Å; P19-T144 VanDerWaalsContact CG-O 3.26Å; P19-T144 WeakPolarHBondContact CG-O 3.4Å; L140-T144 WeakPolarHBondContact CD1-OG1 3.27Å; L140-T144 WeakPolarHBondContact O-CB 3.22Å; L140-T144 PolarHBondContact O-N 3.42Å; L140-T144 PolarHBondContact O-OG1 3.09Å
145	Y	97.7	Very high	90.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	7	-176.7	-56.8	-56	0	0	0	114.3	I14 Y17 N28 A30 F31 W34 L141 T143 M147	I14-Y145 HydrophobicContact CG2-CE2 4.39Å; Y17-Y145 WeakPolarHBondContact CB-OH 3.43Å; Y17-Y145 VanDerWaalsContact O-CE1 3.24Å; Y17-Y145 WeakPolarHBondContact O-CE1 3.42Å; Y17-Y145 PolarHBondContact O-OH 2.77Å; N28-Y145 HydrophobicContact CB-CD1 4.19Å; N28-Y145 WeakPolarHBondContact CB-O 3.18Å; N28-Y145 PolarHBondContact N-O 3.08Å; A30-Y145 HydrophobicContact CB-CD1 4.03Å; A30-Y145 HydrophobicContact CB-CE1 3.68Å; F31-Y145 HydrophobicContact CB-CD1 4.15Å; F31-Y145 HydrophobicContact CB-CD2 3.9Å; F31-Y145 HydrophobicContact CB-CE2 4.49Å; F31-Y145 HydrophobicContact CB-CG 3.7Å; F31-Y145 AromaticContact CD2-CD2 3.63Å; F31-Y145 HydrophobicContact CD2-CD2 3.63Å; F31-Y145 HydrophobicContact CD2-CE2 4.1Å; F31-Y145 HydrophobicContact CD2-CG 4.27Å; F31-Y145 HydrophobicContact CG-CD2 4.23Å; F31-Y145 HydrophobicContact CG-CG 4.44Å; W34-Y145 HydrophobicContact CB-CE2 4.28Å; W34-Y145 HydrophobicContact CG-CE2 4.37Å; L141-Y145 HydrophobicContact CD2-CD2 3.84Å; L141-Y145 HydrophobicContact CD2-CE2 3.57Å; L141-Y145 WeakPolarHBondContact O-CB 3.45Å; L141-Y145 PolarHBondContact O-N 3.47Å; T143-Y145 PolarHBondContact O-N 3.1Å; Y145-M147 PolarHBondContact O-N 3.08Å
146	R	96.2	Very high	89.6	Confident	116 Å²	116	51.8 Å²	51.8	44%	0.438	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	46.3	179	-60.3	179.2	-79.2	-148.7	-3	111.7	G27 N28 Q142 T143	G27-R146 WeakPolarHBondContact CA-O 3.24Å; G27-R146 PolarHBondContact N-O 2.93Å; N28-R146 PolarHBondContact ND2-NH2 2.94Å; Q142-R146 CarbonylContact O-C 3.44Å; Q142-R146 WeakPolarHBondContact O-CA 3.41Å; Q142-R146 PolarHBondContact O-N 2.96Å; T143-R146 PolarHBondContact O-N 3.33Å
147	M	96.5	Very high	89	Confident	11 Å²	11	50.8 Å²	50.8	5%	0.054	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-65.7	141.2	-176	-58.2	179.9	75.9	0	0	110.1	F31 I86 D87 L141 Q142 Y145	F31-M147 HydrophobicContact CD1-CE 4.43Å; F31-M147 HydrophobicContact CD2-CE 4.24Å; F31-M147 HydrophobicContact CD2-SD 4.33Å; F31-M147 HydrophobicContact CE1-CE 3.88Å; F31-M147 HydrophobicContact CE2-CE 3.68Å; F31-M147 HydrophobicContact CE2-SD 4.09Å; F31-M147 HydrophobicContact CZ-CE 3.48Å; F31-M147 VanDerWaalsContact CZ-CE 3.48Å; F31-M147 HydrophobicContact CZ-SD 4.48Å; I86-M147 HydrophobicContact CG2-CG 4.31Å; I86-M147 WeakPolarHBondContact O-CA 3.3Å; D87-M147 WeakPolarHBondContact O-CE 3.45Å; L141-M147 HydrophobicContact CB-SD 3.83Å; Q142-M147 PolarHBondContact O-N 2.91Å; Y145-M147 PolarHBondContact O-N 3.08Å
148	E	95	Very high	88.8	Confident	78 Å²	78	51.1 Å²	51.1	36%	0.364	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	149.1	177.3	-64	-175.9	76.3	0	0	110.8	F26 I86 D87 Y88 A150	F26-E148 HydrophobicContact CB-CG 3.94Å; F26-E148 WeakPolarHBondContact CB-OE2 3.33Å; F26-E148 HydrophobicContact CD1-CG 4.4Å; F26-E148 HydrophobicContact CG-CG 4.46Å; I86-E148 PolarHBondContact O-N 3.16Å; D87-E148 CarbonylContact C-O 3.59Å; D87-E148 WeakPolarHBondContact CA-O 3.14Å; D87-E148 HydrophobicContact CB-CB 4.22Å; D87-E148 WeakPolarHBondContact CB-O 3.37Å; Y88-E148 PolarHBondContact N-O 3.13Å; E148-A150 PolarHBondContact O-N 3.39Å
149	P	94.8	Very high	88.7	Confident	58 Å²	58	51.9 Å²	51.9	38%	0.377	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	125	166.3	-25.6	37.1	0	0	0	110.9	Y88 G151 D160 F161	Y88-P149 CarbonylContact O-C 3.57Å; P149-G151 PolarHBondContact O-N 3.13Å; P149-D160 HydrophobicContact CB-CB 4.25Å; P149-D160 WeakPolarHBondContact CB-O 3.46Å; P149-D160 HydrophobicContact CG-CB 3.91Å; P149-F161 HydrophobicContact CB-CE1 4.21Å; P149-F161 HydrophobicContact CG-CE1 3.94Å; P149-F161 HydrophobicContact CG-CZ 3.99Å
150	A	92.3	Very high	88.5	Confident	33 Å²	33	52.6 Å²	52.6	27%	0.273	30%	0.304	S	S	.	.	S	Bend	trans	-76.6	109.2	176	0	0	0	0	0	109.1	D87 Y88 E148	D87-A150 HydrophobicContact CB-CB 4.04Å; Y88-A150 WeakPolarHBondContact O-CB 3.36Å; Y88-A150 PolarHBondContact O-N 3Å; E148-A150 PolarHBondContact O-N 3.39Å
151	G	82.7	Confident	88.4	Confident	53 Å²	53	50.7 Å²	50.7	55%	0.546	29%	0.293	S	S	.	.	S	Bend	trans	103.1	145.7	-176.8	0	0	0	0	0	112.7	P149	P149-G151 PolarHBondContact O-N 3.13Å
152	S	61.3	Low	88.4	Confident	119 Å²	119	50.9 Å²	50.9	83%	0.832	29%	0.294	S	S	*	.			trans	-106.5	85.1	-175.9	49.1	0	0	0	0	110.9
153	H	66.4	Low	88.4	Confident	83 Å²	83	50.9 Å²	50.9	38%	0.384	29%	0.294	S	S	.	.			trans	-108.5	-10.6	174.1	-67.2	-51.6	0	0	0	113.6	W156 C157	H153-W156 PolarHBondContact O-N 3.4Å; H153-C157 HydrophobicContact CB-CB 3.74Å
154	G	69.1	Low	88.5	Confident	55 Å²	55	48 Å²	48	57%	0.567	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	54.5	-139.4	176.6	0	0	0	0	0	111.8	W156 C157	G154-W156 PolarHBondContact O-N 2.99Å; G154-W156 VanDerWaalsContact O-N 3.1Å; G154-C157 PolarHBondContact O-N 2.85Å; G154-C157 PolarHBondContact O-SG 3.49Å
155	V	70.8	Confident	88.6	Confident	64 Å²	64	46.4 Å²	46.4	39%	0.388	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-68.9	-7.1	-176.6	-61.3	0	0	0	0	115	E215	V155-E215 WeakPolarHBondContact CG1-O 2.9Å
156	W	78	Confident	88.6	Confident	171 Å²	171	46.4 Å²	46.4	65%	0.648	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-94.1	-9.8	-176.3	-58.4	106.9	0	0	0	113.7	H153 G154 H218 T219	H153-W156 PolarHBondContact O-N 3.4Å; G154-W156 PolarHBondContact O-N 2.99Å; G154-W156 VanDerWaalsContact O-N 3.1Å; W156-H218 AromaticContact CE3-CD2 3.75Å; W156-H218 AromaticContact CH2-CD2 3.94Å; W156-H218 AromaticContact CH2-NE2 3.96Å; W156-H218 AromaticContact CZ3-CD2 3.21Å; W156-H218 WeakPolarHBondContact CZ3-CD2 3.35Å; W156-H218 AromaticContact CZ3-NE2 3.51Å; W156-T219 PolarHBondContact O-OG1 2.86Å
157	C	86.8	Confident	88.7	Confident	26 Å²	26	41.7 Å²	41.7	18%	0.176	25%	0.249	C	C	.	.	S	Bend	trans	-71	160.5	172.1	59.8	0	0	0	0	111.6	H153 G154 D159 T219	H153-C157 HydrophobicContact CB-CB 3.74Å; G154-C157 PolarHBondContact O-N 2.85Å; G154-C157 PolarHBondContact O-SG 3.49Å; C157-D159 PolarHBondContact SG-O 3.43Å; C157-D159 VanDerWaalsContact SG-O 3.34Å; C157-T219 WeakPolarHBondContact O-CB 3.06Å; C157-T219 PolarHBondContact O-OG1 3.34Å
158	L	94.2	Very high	88.8	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	-65.7	-45.7	171.7	-179.4	66.5	0	0	0	110.9	F163 F166 T219 L220 I223 L236 M239	L158-F163 HydrophobicContact CB-CD2 4.38Å; L158-F163 HydrophobicContact CB-CE2 4.2Å; L158-F163 HydrophobicContact CD2-CD1 3.74Å; L158-F163 HydrophobicContact CD2-CD2 3.87Å; L158-F163 HydrophobicContact CD2-CE1 3.66Å; L158-F163 HydrophobicContact CD2-CE2 3.83Å; L158-F163 HydrophobicContact CD2-CG 3.82Å; L158-F163 HydrophobicContact CD2-CZ 3.7Å; L158-F166 HydrophobicContact CD2-CB 3.88Å; L158-F166 HydrophobicContact CD2-CD2 3.78Å; L158-F166 HydrophobicContact CD2-CG 3.89Å; L158-F166 HydrophobicContact CG-CD2 4.13Å; L158-F166 HydrophobicContact CG-CE2 4.44Å; L158-F166 HydrophobicContact CG-CG 4.25Å; L158-T219 HydrophobicContact CD1-CG2 4.33Å; L158-L220 HydrophobicContact CD1-CD2 3.57Å; L158-L220 HydrophobicContact CD1-CG 4.09Å; L158-L220 HydrophobicContact CG-CD2 4.45Å; L158-L220 VanDerWaalsContact O-CD1 3.23Å; L158-L220 WeakPolarHBondContact O-CD1 3.41Å; L158-L220 WeakPolarHBondContact O-CG 3.37Å; L158-I223 HydrophobicContact CD1-CD1 3.51Å; L158-L236 HydrophobicContact CD1-CD2 3.79Å; L158-L236 HydrophobicContact CD2-CD2 3.77Å; L158-L236 HydrophobicContact CG-CD2 4.46Å; L158-M239 HydrophobicContact CB-CE 4.12Å
159	D	95.6	Very high	89	Confident	18 Å²	18	41 Å²	41	10%	0.096	24%	0.243	C	C	.	.			trans	-155.4	160.6	178.7	174.7	64.7	0	0	0	108.4	C157 F161 Q162 F166	C157-D159 PolarHBondContact SG-O 3.43Å; C157-D159 VanDerWaalsContact SG-O 3.34Å; D159-F161 VanDerWaalsContact C-N 3.27Å; D159-F161 PolarHBondContact O-N 2.8Å; D159-F161 PolarHBondContact OD2-N 3.35Å; D159-Q162 WeakPolarHBondContact CB-O 3.31Å; D159-Q162 PolarHBondContact OD2-N 3.43Å; D159-F166 HydrophobicContact CB-CE2 3.47Å; D159-F166 VanDerWaalsContact CB-CE2 3.47Å; D159-F166 HydrophobicContact CB-CZ 3.73Å
160	D	94.7	Very high	89.1	Confident	47 Å²	47	38.3 Å²	38.3	25%	0.251	23%	0.225	S	C	.	.	S	Bend	trans	-68.8	-27.4	-177.4	-68.1	-8.9	0	0	0	112.1	P149 K209	P149-D160 HydrophobicContact CB-CB 4.25Å; P149-D160 WeakPolarHBondContact CB-O 3.46Å; P149-D160 HydrophobicContact CG-CB 3.91Å; D160-K209 IonicContact OD1-NZ 2.66Å; D160-K209 PolarHBondContact OD1-NZ 2.99Å; D160-K209 WeakPolarHBondContact OD2-CE 3.49Å; D160-K209 IonicContact OD2-NZ 3.49Å; D160-K209 PolarHBondContact OD2-NZ 3.01Å; D160-K209 VanDerWaalsContact OD2-NZ 3.08Å
161	F	95.9	Very high	89.4	Confident	20 Å²	20	39.8 Å²	39.8	9%	0.088	23%	0.234	C	C	.	.	S	Bend	trans	-129.4	-39.4	-168.3	-63.2	-62.2	0	0	0	114.4	Y88 G89 T90 Q142 P149 D159	Y88-F161 HydrophobicContact CD1-CB 3.81Å; Y88-F161 AromaticContact CD1-CD1 3.76Å; Y88-F161 HydrophobicContact CD1-CD1 3.76Å; Y88-F161 HydrophobicContact CD1-CG 4.14Å; Y88-F161 HydrophobicContact CE1-CB 3.98Å; Y88-F161 WeakPolarHBondContact O-CD1 3.47Å; G89-F161 CarbonylContact C-O 3.51Å; G89-F161 VanDerWaalsContact C-O 3.3Å; T90-F161 PolarHBondContact N-O 2.86Å; Q142-F161 HydrophobicContact CB-CE2 4.4Å; Q142-F161 HydrophobicContact CB-CZ 4.4Å; Q142-F161 HydrophobicContact CG-CD1 4.3Å; Q142-F161 HydrophobicContact CG-CD2 4.23Å; Q142-F161 HydrophobicContact CG-CE1 4.12Å; Q142-F161 HydrophobicContact CG-CE2 4.08Å; Q142-F161 HydrophobicContact CG-CG 4.33Å; Q142-F161 HydrophobicContact CG-CZ 4.02Å; P149-F161 HydrophobicContact CB-CE1 4.21Å; P149-F161 HydrophobicContact CG-CE1 3.94Å; P149-F161 HydrophobicContact CG-CZ 3.99Å; D159-F161 VanDerWaalsContact C-N 3.27Å; D159-F161 PolarHBondContact O-N 2.8Å; D159-F161 PolarHBondContact OD2-N 3.35Å
162	Q	97.3	Very high	90.1	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.023	22%	0.221	C	C	.	.			trans	-117.2	161.1	-166.4	-51.5	-56.8	-18.1	0	0	112.5	Y88 E93 L135 V138 D159 P165	Y88-Q162 PolarHBondContact OH-NE2 3.04Å; Y88-Q162 PolarHBondContact OH-OE1 3.35Å; E93-Q162 PolarHBondContact OE1-OE1 3.17Å; L135-Q162 HydrophobicContact CD2-CG 3.89Å; V138-Q162 VanDerWaalsContact CG2-NE2 3.26Å; D159-Q162 WeakPolarHBondContact CB-O 3.31Å; D159-Q162 PolarHBondContact OD2-N 3.43Å; Q162-P165 HydrophobicContact CB-CG 4.25Å
163	F	97.9	Very high	91.9	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.035	18%	0.181	C	C	.	.	S	Bend	trans	-138.8	-49	172.6	-157.1	-61.5	0	0	0	111.4	T90 E93 L158 P165 F166 I167 L236 M239 Y240 V244	T90-F163 HydrophobicContact CG2-CB 3.91Å; E93-F163 PolarHBondContact OE1-N 3.23Å; E93-F163 PolarHBondContact OE2-N 3.08Å; L158-F163 HydrophobicContact CB-CD2 4.38Å; L158-F163 HydrophobicContact CB-CE2 4.2Å; L158-F163 HydrophobicContact CD2-CD1 3.74Å; L158-F163 HydrophobicContact CD2-CD2 3.87Å; L158-F163 HydrophobicContact CD2-CE1 3.66Å; L158-F163 HydrophobicContact CD2-CE2 3.83Å; L158-F163 HydrophobicContact CD2-CG 3.82Å; L158-F163 HydrophobicContact CD2-CZ 3.7Å; F163-P165 VanDerWaalsContact C-CD 3.5Å; F163-F166 WeakPolarHBondContact O-CB 3.4Å; F163-F166 PolarHBondContact O-N 2.87Å; F163-I167 HydrophobicContact CD1-CD1 3.86Å; F163-I167 HydrophobicContact CD1-CG1 4Å; F163-I167 HydrophobicContact CE1-CD1 4.04Å; F163-I167 HydrophobicContact CE1-CG1 4.04Å; F163-I167 PolarHBondContact O-N 3.29Å; F163-L236 HydrophobicContact CE1-CB 4.42Å; F163-L236 HydrophobicContact CE1-CD2 4.3Å; F163-L236 WeakPolarHBondContact CE1-O 3.49Å; F163-M239 HydrophobicContact CE2-CE 4.23Å; F163-M239 HydrophobicContact CE2-CG 4.03Å; F163-M239 HydrophobicContact CE2-SD 4.2Å; F163-M239 HydrophobicContact CZ-CB 3.83Å; F163-M239 HydrophobicContact CZ-CG 3.66Å; F163-M239 HydrophobicContact CZ-SD 3.88Å; F163-Y240 HydrophobicContact CB-CD2 3.93Å; F163-Y240 HydrophobicContact CB-CE2 4.16Å; F163-Y240 AromaticContact CD1-CD2 3.55Å; F163-Y240 HydrophobicContact CD1-CD2 3.55Å; F163-Y240 HydrophobicContact CD1-CG 4.13Å; F163-Y240 HydrophobicContact CD2-CD2 4.2Å; F163-Y240 HydrophobicContact CE1-CD2 4.12Å; F163-Y240 HydrophobicContact CE1-CG 4.33Å; F163-Y240 AromaticContact CG-CD2 3.62Å; F163-Y240 HydrophobicContact CG-CD2 3.62Å; F163-Y240 HydrophobicContact CG-CE2 4.35Å; F163-Y240 VanDerWaalsContact CZ-N 3.34Å; F163-V244 HydrophobicContact CD2-CG2 3.82Å; F163-V244 HydrophobicContact CE2-CG2 4.38Å; F163-V244 HydrophobicContact CG-CG2 4.29Å
164	V	98.3	Very high	93.4	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-59	-39.5	-171.1	175.7	0	0	0	0	113.8	E93 L97 M131 F166 I167 W168 Y240	E93-V164 HydrophobicContact CG-CB 4.43Å; E93-V164 HydrophobicContact CG-CG2 4.25Å; E93-V164 PolarHBondContact OE1-N 2.85Å; E93-V164 VanDerWaalsContact OE1-N 3.11Å; E93-V164 VanDerWaalsContact OE2-CG2 3.28Å; E93-V164 WeakPolarHBondContact OE2-CG2 3.21Å; E93-V164 PolarHBondContact OE2-N 2.9Å; L97-V164 HydrophobicContact CD1-CB 4.39Å; L97-V164 HydrophobicContact CD1-CG1 4.17Å; L97-V164 HydrophobicContact CD1-CG2 3.49Å; L97-V164 VanDerWaalsContact CD1-CG2 3.49Å; L97-V164 HydrophobicContact CD2-CG1 4.35Å; L97-V164 HydrophobicContact CG-CG2 4.41Å; M131-V164 HydrophobicContact CE-CB 4.43Å; M131-V164 HydrophobicContact CE-CG1 3.93Å; V164-F166 PolarHBondContact O-N 3.2Å; V164-I167 WeakPolarHBondContact O-CA 3.41Å; V164-I167 WeakPolarHBondContact O-CB 3.49Å; V164-I167 PolarHBondContact O-N 2.93Å; V164-W168 HydrophobicContact CG1-CD2 3.65Å; V164-W168 HydrophobicContact CG1-CE3 4.14Å; V164-W168 HydrophobicContact CG1-CG 4.16Å; V164-W168 HydrophobicContact CG1-CH2 3.99Å; V164-W168 HydrophobicContact CG1-CZ2 3.47Å; V164-W168 VanDerWaalsContact CG1-CZ2 3.47Å; V164-W168 HydrophobicContact CG1-CZ3 4.32Å; V164-W168 PolarHBondContact O-N 3.43Å; V164-Y240 HydrophobicContact CG2-CE2 3.86Å
165	P	98.4	Very high	94.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.4	-29.9	174.2	-26.5	31.9	0	0	0	114.3	E93 M131 L135 Q162 F163 G169 L197 C201	E93-P165 WeakPolarHBondContact OE1-CD 3.23Å; M131-P165 HydrophobicContact CG-CG 4.47Å; M131-P165 HydrophobicContact SD-CG 3.99Å; L135-P165 HydrophobicContact CD1-CB 3.95Å; L135-P165 HydrophobicContact CD1-CG 3.72Å; L135-P165 HydrophobicContact CD2-CG 3.65Å; L135-P165 HydrophobicContact CG-CG 4.16Å; Q162-P165 HydrophobicContact CB-CG 4.25Å; F163-P165 VanDerWaalsContact C-CD 3.5Å; P165-G169 VanDerWaalsContact O-CA 3.32Å; P165-G169 WeakPolarHBondContact O-CA 3.47Å; P165-G169 PolarHBondContact O-N 3.11Å; P165-L197 HydrophobicContact CB-CB 4.47Å; P165-C201 WeakPolarHBondContact CB-SG 3.48Å
166	F	98.5	Very high	95.8	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-72.7	-36.8	175.1	-63.6	-86.5	0	0	0	111.2	L158 D159 F163 V164 S170 L198 C201 I202 I205 L220 L236	L158-F166 HydrophobicContact CD2-CB 3.88Å; L158-F166 HydrophobicContact CD2-CD2 3.78Å; L158-F166 HydrophobicContact CD2-CG 3.89Å; L158-F166 HydrophobicContact CG-CD2 4.13Å; L158-F166 HydrophobicContact CG-CE2 4.44Å; L158-F166 HydrophobicContact CG-CG 4.25Å; D159-F166 HydrophobicContact CB-CE2 3.47Å; D159-F166 VanDerWaalsContact CB-CE2 3.47Å; D159-F166 HydrophobicContact CB-CZ 3.73Å; F163-F166 WeakPolarHBondContact O-CB 3.4Å; F163-F166 PolarHBondContact O-N 2.87Å; V164-F166 PolarHBondContact O-N 3.2Å; F166-S170 WeakPolarHBondContact O-CB 3.46Å; F166-S170 PolarHBondContact O-N 3.21Å; F166-S170 PolarHBondContact O-OG 3.05Å; F166-L198 HydrophobicContact CD1-CG 4.25Å; F166-C201 HydrophobicContact CD1-CB 4.39Å; F166-C201 HydrophobicContact CE1-CB 3.66Å; F166-C201 HydrophobicContact CE2-CB 3.98Å; F166-C201 HydrophobicContact CZ-CB 3.42Å; F166-C201 VanDerWaalsContact CZ-CB 3.42Å; F166-I202 HydrophobicContact CE1-CD1 3.91Å; F166-I205 HydrophobicContact CZ-CD1 4.2Å; F166-L220 HydrophobicContact CD1-CD2 3.94Å; F166-L220 HydrophobicContact CE1-CD1 4.09Å; F166-L220 HydrophobicContact CE1-CD2 3.79Å; F166-L220 HydrophobicContact CZ-CD1 4.4Å; F166-L236 HydrophobicContact CB-CD1 4.08Å; F166-L236 WeakPolarHBondContact O-CD1 3.47Å
167	I	98.6	Very high	96.7	Very high	16 Å²	16	32.8 Å²	32.8	8%	0.082	19%	0.188	C	C	.	.	H	α-helix	trans	-64.4	-55.1	173.2	-57.9	170.9	0	0	0	109.4	F163 V164 G169 S170 S171 N233 L236 I237 Y240	F163-I167 HydrophobicContact CD1-CD1 3.86Å; F163-I167 HydrophobicContact CD1-CG1 4Å; F163-I167 HydrophobicContact CE1-CD1 4.04Å; F163-I167 HydrophobicContact CE1-CG1 4.04Å; F163-I167 PolarHBondContact O-N 3.29Å; V164-I167 WeakPolarHBondContact O-CA 3.41Å; V164-I167 WeakPolarHBondContact O-CB 3.49Å; V164-I167 PolarHBondContact O-N 2.93Å; I167-G169 PolarHBondContact O-N 3.5Å; I167-S170 PolarHBondContact O-N 3.05Å; I167-S170 PolarHBondContact O-OG 3.29Å; I167-S171 PolarHBondContact O-N 3.48Å; I167-S171 VanDerWaalsContact O-N 3.11Å; I167-N233 PolarHBondContact O-ND2 3.33Å; I167-L236 HydrophobicContact CG1-CB 3.93Å; I167-I237 HydrophobicContact CG2-CD1 4.33Å; I167-I237 HydrophobicContact CG2-CG1 3.67Å; I167-Y240 HydrophobicContact CD1-CD1 4.32Å; I167-Y240 HydrophobicContact CD1-CD2 4.27Å; I167-Y240 HydrophobicContact CD1-CG 3.87Å
168	W	98.4	Very high	97.2	Very high	76 Å²	76	33.2 Å²	33.2	29%	0.288	19%	0.186	S	C	.	.	H	α-helix	trans	-67	-40.2	-176.6	-63.4	-5.5	0	0	0	111.6	L97 I126 M131 V164 S171 Q172 L197	L97-W168 HydrophobicContact CD2-CH2 3.73Å; L97-W168 HydrophobicContact CD2-CZ2 3.93Å; I126-W168 HydrophobicContact CG2-CH2 3.82Å; I126-W168 HydrophobicContact CG2-CZ3 3.97Å; M131-W168 HydrophobicContact CB-CE3 4.13Å; M131-W168 HydrophobicContact CB-CZ3 3.83Å; M131-W168 HydrophobicContact CE-CE3 3.77Å; M131-W168 HydrophobicContact CE-CH2 3.6Å; M131-W168 HydrophobicContact CE-CZ2 4.48Å; M131-W168 HydrophobicContact CE-CZ3 3.21Å; M131-W168 HydrophobicContact CG-CE3 3.99Å; M131-W168 HydrophobicContact CG-CZ3 3.98Å; M131-W168 HydrophobicContact SD-CZ3 4.43Å; V164-W168 HydrophobicContact CG1-CD2 3.65Å; V164-W168 HydrophobicContact CG1-CE3 4.14Å; V164-W168 HydrophobicContact CG1-CG 4.16Å; V164-W168 HydrophobicContact CG1-CH2 3.99Å; V164-W168 HydrophobicContact CG1-CZ2 3.47Å; V164-W168 VanDerWaalsContact CG1-CZ2 3.47Å; V164-W168 HydrophobicContact CG1-CZ3 4.32Å; V164-W168 PolarHBondContact O-N 3.43Å; W168-S171 WeakPolarHBondContact O-CA 2.89Å; W168-S171 VanDerWaalsContact O-CB 3.27Å; W168-S171 WeakPolarHBondContact O-CB 3.45Å; W168-S171 PolarHBondContact O-N 2.82Å; W168-S171 VanDerWaalsContact O-N 3.14Å; W168-Q172 WeakPolarHBondContact O-CG 3.33Å; W168-Q172 PolarHBondContact O-N 3.26Å; W168-L197 HydrophobicContact CB-CD1 3.86Å; W168-L197 HydrophobicContact CE3-CD1 4.4Å
169	G	98.2	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-38.5	177.1	0	0	0	0	0	113.9	P165 I167 S171 Q172 L173	P165-G169 VanDerWaalsContact O-CA 3.32Å; P165-G169 WeakPolarHBondContact O-CA 3.47Å; P165-G169 PolarHBondContact O-N 3.11Å; I167-G169 PolarHBondContact O-N 3.5Å; G169-S171 PolarHBondContact O-N 2.87Å; G169-Q172 WeakPolarHBondContact O-CB 3.38Å; G169-Q172 PolarHBondContact O-N 3.03Å; G169-Q172 VanDerWaalsContact O-N 3.15Å; G169-L173 WeakPolarHBondContact O-CG 3.38Å; G169-L173 PolarHBondContact O-N 2.92Å
170	S	98.4	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-31.7	171	58.1	0	0	0	0	111.9	F166 I167 L173 I174 N233	F166-S170 WeakPolarHBondContact O-CB 3.46Å; F166-S170 PolarHBondContact O-N 3.21Å; F166-S170 PolarHBondContact O-OG 3.05Å; I167-S170 PolarHBondContact O-N 3.05Å; I167-S170 PolarHBondContact O-OG 3.29Å; S170-L173 PolarHBondContact O-N 3.07Å; S170-I174 PolarHBondContact O-N 3.37Å; S170-N233 WeakPolarHBondContact OG-CA 3.49Å; S170-N233 PolarHBondContact OG-ND2 2.84Å; S170-N233 VanDerWaalsContact OG-ND2 3.13Å
171	S	98.1	Very high	97.5	Very high	65 Å²	65	36.6 Å²	36.6	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-67.2	-36.2	171.8	-168.2	0	0	0	0	112.5	I167 W168 G169 L173 I174 N233	I167-S171 PolarHBondContact O-N 3.48Å; I167-S171 VanDerWaalsContact O-N 3.11Å; W168-S171 WeakPolarHBondContact O-CA 2.89Å; W168-S171 VanDerWaalsContact O-CB 3.27Å; W168-S171 WeakPolarHBondContact O-CB 3.45Å; W168-S171 PolarHBondContact O-N 2.82Å; W168-S171 VanDerWaalsContact O-N 3.14Å; G169-S171 PolarHBondContact O-N 2.87Å; S171-L173 PolarHBondContact O-N 3.23Å; S171-I174 PolarHBondContact O-N 2.8Å; S171-N233 PolarHBondContact N-ND2 3.16Å
172	Q	97.4	Very high	97.6	Very high	59 Å²	59	36.2 Å²	36.2	28%	0.276	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-27.1	175.2	-66.3	178.8	-67.6	0	0	112.3	L128 W168 G169 Y196	L128-Q172 VanDerWaalsContact CD2-NE2 3.35Å; W168-Q172 WeakPolarHBondContact O-CG 3.33Å; W168-Q172 PolarHBondContact O-N 3.26Å; G169-Q172 WeakPolarHBondContact O-CB 3.38Å; G169-Q172 PolarHBondContact O-N 3.03Å; G169-Q172 VanDerWaalsContact O-N 3.15Å; Q172-Y196 HydrophobicContact CB-CD1 3.95Å; Q172-Y196 HydrophobicContact CB-CE1 4.48Å
173	L	98	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.2	-175.9	-69.5	163.5	0	0	0	113.9	G169 S170 S171 G175 S176 Y178 Y196 L198 F199 W229	G169-L173 WeakPolarHBondContact O-CG 3.38Å; G169-L173 PolarHBondContact O-N 2.92Å; S170-L173 PolarHBondContact O-N 3.07Å; S171-L173 PolarHBondContact O-N 3.23Å; L173-G175 PolarHBondContact O-N 3Å; L173-S176 VanDerWaalsContact O-CB 3.27Å; L173-S176 WeakPolarHBondContact O-CB 3.27Å; L173-S176 PolarHBondContact O-N 2.92Å; L173-S176 PolarHBondContact O-OG 3.2Å; L173-Y178 HydrophobicContact CD2-CD2 4.21Å; L173-Y196 HydrophobicContact CD2-CD1 3.58Å; L173-Y196 HydrophobicContact CD2-CD2 4.49Å; L173-Y196 HydrophobicContact CD2-CE1 3.7Å; L173-Y196 HydrophobicContact CD2-CG 4.01Å; L173-Y196 HydrophobicContact CG-CD1 3.96Å; L173-Y196 HydrophobicContact CG-CE1 4.38Å; L173-L198 HydrophobicContact CD1-CB 4.17Å; L173-L198 HydrophobicContact CD1-CD1 4.3Å; L173-L198 HydrophobicContact CD1-CD2 4.32Å; L173-F199 HydrophobicContact CD1-CD1 4.44Å; L173-F199 HydrophobicContact CD1-CE1 3.74Å; L173-F199 HydrophobicContact CD1-CZ 3.91Å; L173-F199 HydrophobicContact CD2-CE1 4.27Å; L173-F199 HydrophobicContact CD2-CE2 3.91Å; L173-F199 HydrophobicContact CD2-CZ 3.56Å; L173-F199 HydrophobicContact CG-CZ 4.41Å; L173-W229 HydrophobicContact CB-CD2 3.69Å; L173-W229 HydrophobicContact CB-CE3 4.33Å; L173-W229 HydrophobicContact CB-CG 3.78Å; L173-W229 HydrophobicContact CB-CZ2 4.23Å; L173-W229 HydrophobicContact CD1-CD2 4.24Å; L173-W229 HydrophobicContact CD1-CE3 4.32Å; L173-W229 HydrophobicContact CD1-CH2 3.62Å; L173-W229 HydrophobicContact CD1-CZ2 3.51Å; L173-W229 HydrophobicContact CD1-CZ3 4.04Å; L173-W229 HydrophobicContact CG-CZ2 4.37Å; L173-W229 VanDerWaalsContact O-CD1 3.24Å
174	I	98.1	Very high	97.4	Very high	64 Å²	64	40.1 Å²	40.1	33%	0.328	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	122.4	173.8	-67.2	170.3	0	0	0	109.2	S170 S171 S176 W229 E230 N233	S170-I174 PolarHBondContact O-N 3.37Å; S171-I174 PolarHBondContact O-N 2.8Å; I174-S176 VanDerWaalsContact C-N 3.25Å; I174-S176 PolarHBondContact O-N 2.78Å; I174-W229 HydrophobicContact CG1-CB 3.78Å; I174-E230 HydrophobicContact CD1-CG 4.14Å; I174-E230 HydrophobicContact CG1-CG 4.15Å; I174-E230 HydrophobicContact CG2-CG 3.9Å; I174-N233 HydrophobicContact CD1-CB 4.28Å
175	G	96	Very high	97.3	Very high	78 Å²	78	43.2 Å²	43.2	80%	0.804	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	5.7	-176.2	0	0	0	0	0	115	L173	L173-G175 PolarHBondContact O-N 3Å
176	S	96	Very high	97.2	Very high	35 Å²	35	50.5 Å²	50.5	25%	0.245	27%	0.265	C	S	.	.	S	Bend	trans	-75.7	173.3	172.2	79.1	0	0	0	0	112.1	L173 I174 Y178	L173-S176 VanDerWaalsContact O-CB 3.27Å; L173-S176 WeakPolarHBondContact O-CB 3.27Å; L173-S176 PolarHBondContact O-N 2.92Å; L173-S176 PolarHBondContact O-OG 3.2Å; I174-S176 VanDerWaalsContact C-N 3.25Å; I174-S176 PolarHBondContact O-N 2.78Å; S176-Y178 PolarHBondContact O-N 3.18Å; S176-Y178 PolarHBondContact OG-N 2.91Å; S176-Y178 PolarHBondContact OG-O 3.47Å
177	Q	95.9	Very high	97.1	Very high	161 Å²	161	56.9 Å²	56.9	75%	0.752	30%	0.299	S	S	*	.	S	Bend	trans	-74.2	-9.9	175.8	69.9	-168.5	19.4	0	0	114.2
178	Y	97	Very high	97	Very high	35 Å²	35	57.5 Å²	57.5	14%	0.137	30%	0.303	C	S	.	.			trans	-100.6	135.8	-177.1	-55.6	-71.2	0	0	0	110.3	L173 S176 V182 V188 E192 Y196 F199 W229	L173-Y178 HydrophobicContact CD2-CD2 4.21Å; S176-Y178 PolarHBondContact O-N 3.18Å; S176-Y178 PolarHBondContact OG-N 2.91Å; S176-Y178 PolarHBondContact OG-O 3.47Å; Y178-V182 HydrophobicContact CD1-CG2 3.81Å; Y178-V182 HydrophobicContact CE1-CG2 4.48Å; Y178-V182 HydrophobicContact CG-CG2 4.28Å; Y178-V188 HydrophobicContact CD1-CG1 3.92Å; Y178-V188 HydrophobicContact CE1-CG1 3.39Å; Y178-E192 HydrophobicContact CE2-CG 4.38Å; Y178-E192 WeakPolarHBondContact OH-CG 3.48Å; Y178-E192 PolarHBondContact OH-OE1 2.8Å; Y178-Y196 HydrophobicContact CE2-CE2 4.34Å; Y178-F199 HydrophobicContact CD2-CE2 4.1Å; Y178-F199 HydrophobicContact CD2-CZ 4.14Å; Y178-F199 HydrophobicContact CE2-CE2 4.25Å; Y178-F199 HydrophobicContact CG-CZ 4.3Å; Y178-W229 VanDerWaalsContact O-CD1 3.25Å; Y178-W229 PolarHBondContact O-NE1 3.15Å
179	D	96.4	Very high	97	Very high	83 Å²	83	54 Å²	54	44%	0.444	29%	0.29	S	S	.	.			trans	-93.3	167.1	164.9	70.4	70	0	0	0	111	T181 V182	D179-T181 PolarHBondContact O-N 3.45Å; D179-T181 WeakPolarHBondContact OD1-CB 3.38Å; D179-T181 VanDerWaalsContact OD1-CG2 3.22Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.36Å; D179-T181 PolarHBondContact OD1-N 2.79Å; D179-T181 PolarHBondContact OD1-OG1 2.87Å; D179-V182 WeakPolarHBondContact O-CB 3.4Å; D179-V182 WeakPolarHBondContact O-CG1 3.49Å; D179-V182 PolarHBondContact O-N 3.2Å; D179-V182 VanDerWaalsContact O-N 3.15Å
180	P	98	Very high	96.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-59.2	-18.8	-176	-29.5	39.9	0	0	0	116.4	V182 I183 S224 V226 W229 V232	P180-V182 PolarHBondContact O-N 2.96Å; P180-V182 VanDerWaalsContact O-N 3.14Å; P180-I183 WeakPolarHBondContact O-CB 3.24Å; P180-I183 VanDerWaalsContact O-CG1 3.3Å; P180-I183 WeakPolarHBondContact O-CG1 3.42Å; P180-I183 PolarHBondContact O-N 3.36Å; P180-I183 VanDerWaalsContact O-N 3.16Å; P180-S224 CarbonylContact C-O 3.59Å; P180-S224 WeakPolarHBondContact O-CA 3.44Å; P180-S224 WeakPolarHBondContact O-CB 3.3Å; P180-V226 VanDerWaalsContact CB-O 3.25Å; P180-V226 WeakPolarHBondContact CB-O 3.43Å; P180-V226 WeakPolarHBondContact CG-O 3.14Å; P180-W229 VanDerWaalsContact CA-CZ2 3.48Å; P180-W229 HydrophobicContact CB-CH2 4.28Å; P180-W229 HydrophobicContact CB-CZ2 4.22Å; P180-W229 HydrophobicContact CB-CZ3 4.43Å; P180-W229 HydrophobicContact CG-CD2 3.81Å; P180-W229 HydrophobicContact CG-CE3 4.13Å; P180-W229 HydrophobicContact CG-CG 4.16Å; P180-W229 HydrophobicContact CG-CZ2 4.25Å; P180-W229 HydrophobicContact CG-CZ3 4.48Å; P180-V232 HydrophobicContact CB-CG2 4.06Å; P180-V232 HydrophobicContact CG-CG2 3.81Å
181	T	97.4	Very high	96.9	Very high	59 Å²	59	64.5 Å²	64.5	36%	0.362	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-62.5	-22.8	177.4	68.8	0	0	0	0	112.4	D179 I183 R184 S224	D179-T181 PolarHBondContact O-N 3.45Å; D179-T181 WeakPolarHBondContact OD1-CB 3.38Å; D179-T181 VanDerWaalsContact OD1-CG2 3.22Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.36Å; D179-T181 PolarHBondContact OD1-N 2.79Å; D179-T181 PolarHBondContact OD1-OG1 2.87Å; T181-I183 PolarHBondContact O-N 2.94Å; T181-I183 VanDerWaalsContact O-N 3.09Å; T181-R184 PolarHBondContact O-N 3.34Å; T181-R184 VanDerWaalsContact O-N 3.09Å; T181-S224 WeakPolarHBondContact CA-O 3.32Å; T181-S224 WeakPolarHBondContact CG2-O 3.49Å; T181-S224 PolarHBondContact N-O 3.14Å
182	V	97.1	Very high	96.9	Very high	12 Å²	12	62.3 Å²	62.3	7%	0.073	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-56.8	-22	176	78.5	0	0	0	0	113.3	Y178 D179 P180 R184 D185 V188 F199 W229	Y178-V182 HydrophobicContact CD1-CG2 3.81Å; Y178-V182 HydrophobicContact CE1-CG2 4.48Å; Y178-V182 HydrophobicContact CG-CG2 4.28Å; D179-V182 WeakPolarHBondContact O-CB 3.4Å; D179-V182 WeakPolarHBondContact O-CG1 3.49Å; D179-V182 PolarHBondContact O-N 3.2Å; D179-V182 VanDerWaalsContact O-N 3.15Å; P180-V182 PolarHBondContact O-N 2.96Å; P180-V182 VanDerWaalsContact O-N 3.14Å; V182-R184 PolarHBondContact O-N 3.12Å; V182-D185 HydrophobicContact CG2-CB 4.43Å; V182-D185 PolarHBondContact O-N 3.06Å; V182-V188 HydrophobicContact CG2-CB 3.84Å; V182-V188 HydrophobicContact CG2-CG1 3.4Å; V182-V188 VanDerWaalsContact CG2-CG1 3.4Å; V182-V188 HydrophobicContact CG2-CG2 4.46Å; V182-F199 HydrophobicContact CG1-CE1 3.63Å; V182-F199 HydrophobicContact CG1-CZ 3.76Å; V182-F199 HydrophobicContact CG2-CZ 4.35Å; V182-W229 HydrophobicContact CG1-CZ2 3.86Å
183	I	97	Very high	96.9	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-54.1	-29.8	175.6	-69.1	173.1	0	0	0	111.1	P180 T181 L198 I202 F213 L220 I223 W229	P180-I183 WeakPolarHBondContact O-CB 3.24Å; P180-I183 VanDerWaalsContact O-CG1 3.3Å; P180-I183 WeakPolarHBondContact O-CG1 3.42Å; P180-I183 PolarHBondContact O-N 3.36Å; P180-I183 VanDerWaalsContact O-N 3.16Å; T181-I183 PolarHBondContact O-N 2.94Å; T181-I183 VanDerWaalsContact O-N 3.09Å; I183-L198 HydrophobicContact CG1-CD2 4.11Å; I183-I202 HydrophobicContact CG2-CD1 4.04Å; I183-I202 HydrophobicContact CG2-CG1 4.46Å; I183-F213 HydrophobicContact CG2-CE1 3.94Å; I183-F213 HydrophobicContact CG2-CZ 3.97Å; I183-L220 HydrophobicContact CG2-CB 4.4Å; I183-I223 HydrophobicContact CD1-CG2 3.79Å; I183-W229 HydrophobicContact CD1-CH2 3.84Å; I183-W229 HydrophobicContact CD1-CZ3 4.18Å; I183-W229 HydrophobicContact CG1-CH2 3.86Å
184	R	94.7	Very high	96.8	Very high	94 Å²	94	69.3 Å²	69.3	36%	0.355	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-86.8	-14	178.9	-58	-179.7	-66.8	-166	-9.3	113.7	T181 V182 R186 Y221 S224 E225	T181-R184 PolarHBondContact O-N 3.34Å; T181-R184 VanDerWaalsContact O-N 3.09Å; V182-R184 PolarHBondContact O-N 3.12Å; R184-R186 PolarHBondContact O-N 3.47Å; R184-Y221 HydrophobicContact CG-CD2 4.27Å; R184-Y221 HydrophobicContact CG-CE2 4.45Å; R184-S224 VanDerWaalsContact CD-OG 3.3Å; R184-S224 WeakPolarHBondContact CD-OG 3.37Å; R184-S224 WeakPolarHBondContact CG-OG 3.21Å; R184-S224 PolarHBondContact NE-OG 3.34Å; R184-E225 IonicContact CZ-OE1 3.79Å; R184-E225 VanDerWaalsContact CZ-OE1 3.32Å; R184-E225 IonicContact NH1-OE1 2.76Å; R184-E225 PolarHBondContact NH1-OE1 3.32Å; R184-E225 IonicContact NH2-OE1 2.68Å; R184-E225 PolarHBondContact NH2-OE1 3.28Å
185	D	95.9	Very high	96.7	Very high	68 Å²	68	72.5 Å²	72.5	36%	0.364	37%	0.373	S	S	.	.			trans	-86.9	93.9	-179.7	-170.1	-28	0	0	0	110.3	V182 N187 V188 V189	V182-D185 HydrophobicContact CG2-CB 4.43Å; V182-D185 PolarHBondContact O-N 3.06Å; D185-N187 PolarHBondContact O-N 2.77Å; D185-N187 WeakPolarHBondContact OD1-CB 3.47Å; D185-N187 PolarHBondContact OD1-N 2.8Å; D185-V188 HydrophobicContact CB-CB 4.18Å; D185-V188 HydrophobicContact CB-CG2 4.26Å; D185-V188 PolarHBondContact O-N 3.26Å; D185-V188 PolarHBondContact OD1-N 3.13Å; D185-V188 VanDerWaalsContact OD1-N 3.1Å; D185-V188 WeakPolarHBondContact OD2-CG2 3.43Å; D185-V189 WeakPolarHBondContact O-CB 3.3Å; D185-V189 VanDerWaalsContact O-CG2 3.3Å; D185-V189 WeakPolarHBondContact O-CG2 3.38Å; D185-V189 PolarHBondContact O-N 3.06Å
186	R	95.6	Very high	96.8	Very high	153 Å²	153	71.1 Å²	71.1	58%	0.577	34%	0.344	S	S	*	.	H	α-helix	trans	-57.1	-33.2	179	-173.7	176.3	179.7	-175.9	3.7	113.2	R184 E190	R184-R186 PolarHBondContact O-N 3.47Å; R186-E190 VanDerWaalsContact O-CB 3.28Å; R186-E190 WeakPolarHBondContact O-CB 3.24Å; R186-E190 PolarHBondContact O-N 3.47Å
187	N	96.6	Very high	96.9	Very high	134 Å²	134	69.9 Å²	69.9	72%	0.717	33%	0.334	S	S	*	.	H	α-helix	trans	-72.9	-44.7	-177	-65.7	-33.6	0	0	0	110.8	D185 E190 L191	D185-N187 PolarHBondContact O-N 2.77Å; D185-N187 WeakPolarHBondContact OD1-CB 3.47Å; D185-N187 PolarHBondContact OD1-N 2.8Å; N187-E190 PolarHBondContact O-N 3.14Å; N187-L191 WeakPolarHBondContact O-CB 3.27Å; N187-L191 PolarHBondContact O-N 3.5Å
188	V	97.2	Very high	97	Very high	30 Å²	30	62.3 Å²	62.3	18%	0.182	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-44.4	176.5	175.5	0	0	0	0	110.5	Y178 V182 D185 E190 L191 E192	Y178-V188 HydrophobicContact CD1-CG1 3.92Å; Y178-V188 HydrophobicContact CE1-CG1 3.39Å; V182-V188 HydrophobicContact CG2-CB 3.84Å; V182-V188 HydrophobicContact CG2-CG1 3.4Å; V182-V188 VanDerWaalsContact CG2-CG1 3.4Å; V182-V188 HydrophobicContact CG2-CG2 4.46Å; D185-V188 HydrophobicContact CB-CB 4.18Å; D185-V188 HydrophobicContact CB-CG2 4.26Å; D185-V188 PolarHBondContact O-N 3.26Å; D185-V188 PolarHBondContact OD1-N 3.13Å; D185-V188 VanDerWaalsContact OD1-N 3.1Å; D185-V188 WeakPolarHBondContact OD2-CG2 3.43Å; V188-E190 VanDerWaalsContact C-N 3.34Å; V188-E190 PolarHBondContact O-N 3.18Å; V188-L191 PolarHBondContact O-N 3.22Å; V188-E192 HydrophobicContact CG1-CG 4.33Å; V188-E192 WeakPolarHBondContact O-CB 3.42Å; V188-E192 PolarHBondContact O-N 2.84Å
189	V	97.4	Very high	97.1	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-56	-49.2	176	165.3	0	0	0	0	110.9	D185 L191 E192 K193 F199 I202 A203	D185-V189 WeakPolarHBondContact O-CB 3.3Å; D185-V189 VanDerWaalsContact O-CG2 3.3Å; D185-V189 WeakPolarHBondContact O-CG2 3.38Å; D185-V189 PolarHBondContact O-N 3.06Å; V189-L191 VanDerWaalsContact C-N 3.35Å; V189-L191 PolarHBondContact O-N 3.11Å; V189-E192 PolarHBondContact O-N 3.19Å; V189-K193 WeakPolarHBondContact O-CA 3.4Å; V189-K193 VanDerWaalsContact O-CB 3.32Å; V189-K193 WeakPolarHBondContact O-CB 3.42Å; V189-K193 PolarHBondContact O-N 3.17Å; V189-F199 HydrophobicContact CG1-CB 4.41Å; V189-F199 WeakPolarHBondContact CG1-O 3.45Å; V189-F199 HydrophobicContact CG2-CD1 4.2Å; V189-I202 HydrophobicContact CB-CG2 4.47Å; V189-I202 HydrophobicContact CG1-CB 3.76Å; V189-I202 HydrophobicContact CG1-CG2 3.82Å; V189-I202 HydrophobicContact CG2-CB 4.27Å; V189-I202 HydrophobicContact CG2-CG2 3.98Å; V189-A203 HydrophobicContact CG1-CB 3.95Å
190	E	97.3	Very high	97.2	Very high	94 Å²	94	58 Å²	58	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-65.1	-38.1	-178.7	-174.3	60.2	-159	0	0	112.3	R186 N187 V188 K193	R186-E190 VanDerWaalsContact O-CB 3.28Å; R186-E190 WeakPolarHBondContact O-CB 3.24Å; R186-E190 PolarHBondContact O-N 3.47Å; N187-E190 PolarHBondContact O-N 3.14Å; V188-E190 VanDerWaalsContact C-N 3.34Å; V188-E190 PolarHBondContact O-N 3.18Å; E190-K193 WeakPolarHBondContact O-CG 3.39Å; E190-K193 IonicContact OE1-NZ 2.8Å; E190-K193 PolarHBondContact OE1-NZ 3.22Å; E190-K193 IonicContact OE2-NZ 3.99Å
191	L	97.7	Very high	97.2	Very high	128 Å²	128	58.1 Å²	58.1	67%	0.67	28%	0.281	S	S	*	.	H	α-helix	trans	-68.5	-36.3	178.7	-179.8	64.4	0	0	0	112.8	N187 V188 V189	N187-L191 WeakPolarHBondContact O-CB 3.27Å; N187-L191 PolarHBondContact O-N 3.5Å; V188-L191 PolarHBondContact O-N 3.22Å; V189-L191 VanDerWaalsContact C-N 3.35Å; V189-L191 PolarHBondContact O-N 3.11Å
192	E	97.6	Very high	97.2	Very high	18 Å²	18	55.3 Å²	55.3	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-106.3	2.6	-170	-65	-69.3	154.1	0	0	113.3	Y178 V188 V189 D194 K195 Y196 F199	Y178-E192 HydrophobicContact CE2-CG 4.38Å; Y178-E192 WeakPolarHBondContact OH-CG 3.48Å; Y178-E192 PolarHBondContact OH-OE1 2.8Å; V188-E192 HydrophobicContact CG1-CG 4.33Å; V188-E192 WeakPolarHBondContact O-CB 3.42Å; V188-E192 PolarHBondContact O-N 2.84Å; V189-E192 PolarHBondContact O-N 3.19Å; E192-D194 PolarHBondContact O-N 3.07Å; E192-D194 VanDerWaalsContact O-N 3.12Å; E192-K195 PolarHBondContact O-N 3.08Å; E192-K195 IonicContact OE1-NZ 2.76Å; E192-K195 PolarHBondContact OE1-NZ 3.22Å; E192-K195 WeakPolarHBondContact OE2-CD 3.35Å; E192-K195 WeakPolarHBondContact OE2-CE 3.26Å; E192-K195 IonicContact OE2-NZ 2.92Å; E192-K195 PolarHBondContact OE2-NZ 3.12Å; E192-Y196 HydrophobicContact CB-CD2 4.12Å; E192-Y196 HydrophobicContact CB-CE2 4.42Å; E192-Y196 PolarHBondContact O-N 3.06Å; E192-F199 HydrophobicContact CB-CD2 3.47Å; E192-F199 VanDerWaalsContact CB-CD2 3.47Å; E192-F199 HydrophobicContact CB-CE2 3.85Å
193	K	97.2	Very high	97.2	Very high	61 Å²	61	55.2 Å²	55.2	27%	0.265	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.2	-175.1	69.9	-175.5	-176.6	-177.9	0	114.8	V189 E190 K195 S200 A203	V189-K193 WeakPolarHBondContact O-CA 3.4Å; V189-K193 VanDerWaalsContact O-CB 3.32Å; V189-K193 WeakPolarHBondContact O-CB 3.42Å; V189-K193 PolarHBondContact O-N 3.17Å; E190-K193 WeakPolarHBondContact O-CG 3.39Å; E190-K193 IonicContact OE1-NZ 2.8Å; E190-K193 PolarHBondContact OE1-NZ 3.22Å; E190-K193 IonicContact OE2-NZ 3.99Å; K193-K195 VanDerWaalsContact C-N 3.34Å; K193-S200 VanDerWaalsContact O-CB 3.31Å; K193-S200 WeakPolarHBondContact O-CB 3.07Å; K193-A203 HydrophobicContact CB-CB 3.92Å; K193-A203 HydrophobicContact CD-CB 3.92Å
194	D	96.6	Very high	97.2	Very high	146 Å²	146	56.7 Å²	56.7	78%	0.781	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-10.5	-178.5	-60.8	-38.3	0	0	0	112.7	E192	E192-D194 PolarHBondContact O-N 3.07Å; E192-D194 VanDerWaalsContact O-N 3.12Å
195	K	96.4	Very high	97.3	Very high	131 Å²	131	52.3 Å²	52.3	57%	0.57	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-29.6	178.3	-56	-168.4	-151.6	140.7	0	113.2	E192 K193	E192-K195 PolarHBondContact O-N 3.08Å; E192-K195 IonicContact OE1-NZ 2.76Å; E192-K195 PolarHBondContact OE1-NZ 3.22Å; E192-K195 WeakPolarHBondContact OE2-CD 3.35Å; E192-K195 WeakPolarHBondContact OE2-CE 3.26Å; E192-K195 IonicContact OE2-NZ 2.92Å; E192-K195 PolarHBondContact OE2-NZ 3.12Å; K193-K195 VanDerWaalsContact C-N 3.34Å
196	Y	97.9	Very high	97.3	Very high	49 Å²	49	50.7 Å²	50.7	19%	0.192	24%	0.244	C	C	.	.			trans	-126.7	127.2	-174.9	-58.9	-85.5	0	0	0	111.7	Q172 L173 Y178 E192 L198 F199 S200	Q172-Y196 HydrophobicContact CB-CD1 3.95Å; Q172-Y196 HydrophobicContact CB-CE1 4.48Å; L173-Y196 HydrophobicContact CD2-CD1 3.58Å; L173-Y196 HydrophobicContact CD2-CD2 4.49Å; L173-Y196 HydrophobicContact CD2-CE1 3.7Å; L173-Y196 HydrophobicContact CD2-CG 4.01Å; L173-Y196 HydrophobicContact CG-CD1 3.96Å; L173-Y196 HydrophobicContact CG-CE1 4.38Å; Y178-Y196 HydrophobicContact CE2-CE2 4.34Å; E192-Y196 HydrophobicContact CB-CD2 4.12Å; E192-Y196 HydrophobicContact CB-CE2 4.42Å; E192-Y196 PolarHBondContact O-N 3.06Å; Y196-L198 VanDerWaalsContact C-N 3.26Å; Y196-L198 PolarHBondContact O-N 3.35Å; Y196-F199 AromaticContact CD2-CD2 3.52Å; Y196-F199 HydrophobicContact CD2-CD2 3.52Å; Y196-F199 AromaticContact CD2-CE2 3.6Å; Y196-F199 HydrophobicContact CD2-CE2 3.6Å; Y196-F199 HydrophobicContact CE2-CD2 4.44Å; Y196-F199 HydrophobicContact CE2-CE2 4.15Å; Y196-F199 AromaticContact CG-CD2 3.87Å; Y196-F199 HydrophobicContact CG-CD2 3.87Å; Y196-F199 HydrophobicContact CG-CE2 4.01Å; Y196-F199 PolarHBondContact O-N 2.7Å; Y196-F199 VanDerWaalsContact O-N 3.15Å; Y196-S200 PolarHBondContact O-N 3.17Å
197	L	98	Very high	97.2	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-56.7	-40	179.4	-75.4	173.6	0	0	0	112.6	M131 P132 L135 P165 W168 S200 C201	M131-L197 HydrophobicContact CG-CD1 4.16Å; M131-L197 HydrophobicContact CG-CD2 4.01Å; P132-L197 HydrophobicContact CG-CD2 3.82Å; L135-L197 HydrophobicContact CD1-CD2 4.01Å; P165-L197 HydrophobicContact CB-CB 4.47Å; W168-L197 HydrophobicContact CB-CD1 3.86Å; W168-L197 HydrophobicContact CE3-CD1 4.4Å; L197-S200 WeakPolarHBondContact O-CB 3.47Å; L197-S200 PolarHBondContact O-N 2.81Å; L197-C201 PolarHBondContact O-N 3.47Å; L197-C201 VanDerWaalsContact O-N 3.07Å; L197-C201 PolarHBondContact O-SG 2.77Å
198	L	98.3	Very high	97	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-47.9	179.6	-172.9	150.4	0	0	0	110.2	F166 L173 I183 Y196 S200 C201 I202 W229	F166-L198 HydrophobicContact CD1-CG 4.25Å; L173-L198 HydrophobicContact CD1-CB 4.17Å; L173-L198 HydrophobicContact CD1-CD1 4.3Å; L173-L198 HydrophobicContact CD1-CD2 4.32Å; I183-L198 HydrophobicContact CG1-CD2 4.11Å; Y196-L198 VanDerWaalsContact C-N 3.26Å; Y196-L198 PolarHBondContact O-N 3.35Å; L198-S200 VanDerWaalsContact C-N 3.33Å; L198-S200 PolarHBondContact O-N 3.1Å; L198-C201 WeakPolarHBondContact O-CB 3.36Å; L198-C201 PolarHBondContact O-N 3Å; L198-I202 HydrophobicContact CD2-CG1 3.87Å; L198-I202 WeakPolarHBondContact O-CG1 3.36Å; L198-I202 PolarHBondContact O-N 3.02Å; L198-W229 HydrophobicContact CD1-CH2 3.95Å; L198-W229 HydrophobicContact CD1-CZ3 3.58Å; L198-W229 HydrophobicContact CD2-CH2 4.16Å
199	F	98.4	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-37	178	-60.5	-18.4	0	0	0	111.9	L173 Y178 V182 V189 E192 Y196 C201 I202 A203	L173-F199 HydrophobicContact CD1-CD1 4.44Å; L173-F199 HydrophobicContact CD1-CE1 3.74Å; L173-F199 HydrophobicContact CD1-CZ 3.91Å; L173-F199 HydrophobicContact CD2-CE1 4.27Å; L173-F199 HydrophobicContact CD2-CE2 3.91Å; L173-F199 HydrophobicContact CD2-CZ 3.56Å; L173-F199 HydrophobicContact CG-CZ 4.41Å; Y178-F199 HydrophobicContact CD2-CE2 4.1Å; Y178-F199 HydrophobicContact CD2-CZ 4.14Å; Y178-F199 HydrophobicContact CE2-CE2 4.25Å; Y178-F199 HydrophobicContact CG-CZ 4.3Å; V182-F199 HydrophobicContact CG1-CE1 3.63Å; V182-F199 HydrophobicContact CG1-CZ 3.76Å; V182-F199 HydrophobicContact CG2-CZ 4.35Å; V189-F199 HydrophobicContact CG1-CB 4.41Å; V189-F199 WeakPolarHBondContact CG1-O 3.45Å; V189-F199 HydrophobicContact CG2-CD1 4.2Å; E192-F199 HydrophobicContact CB-CD2 3.47Å; E192-F199 VanDerWaalsContact CB-CD2 3.47Å; E192-F199 HydrophobicContact CB-CE2 3.85Å; Y196-F199 AromaticContact CD2-CD2 3.52Å; Y196-F199 HydrophobicContact CD2-CD2 3.52Å; Y196-F199 AromaticContact CD2-CE2 3.6Å; Y196-F199 HydrophobicContact CD2-CE2 3.6Å; Y196-F199 HydrophobicContact CE2-CD2 4.44Å; Y196-F199 HydrophobicContact CE2-CE2 4.15Å; Y196-F199 AromaticContact CG-CD2 3.87Å; Y196-F199 HydrophobicContact CG-CD2 3.87Å; Y196-F199 HydrophobicContact CG-CE2 4.01Å; Y196-F199 PolarHBondContact O-N 2.7Å; Y196-F199 VanDerWaalsContact O-N 3.15Å; F199-C201 PolarHBondContact O-N 2.86Å; F199-I202 PolarHBondContact O-N 3.39Å; F199-A203 VanDerWaalsContact O-CB 3.3Å; F199-A203 WeakPolarHBondContact O-CB 3.23Å; F199-A203 PolarHBondContact O-N 3.41Å
200	S	98.2	Very high	96.6	Very high	27 Å²	27	54 Å²	54	19%	0.189	28%	0.275	C	S	.	.	H	α-helix	trans	-54.2	-41.2	170	-169.8	0	0	0	0	112.4	R139 K193 Y196 L197 L198 Y204	R139-S200 PolarHBondContact NH1-OG 2.92Å; R139-S200 PolarHBondContact NH2-O 3.46Å; K193-S200 VanDerWaalsContact O-CB 3.31Å; K193-S200 WeakPolarHBondContact O-CB 3.07Å; Y196-S200 PolarHBondContact O-N 3.17Å; L197-S200 WeakPolarHBondContact O-CB 3.47Å; L197-S200 PolarHBondContact O-N 2.81Å; L198-S200 VanDerWaalsContact C-N 3.33Å; L198-S200 PolarHBondContact O-N 3.1Å; S200-Y204 PolarHBondContact O-N 2.99Å; S200-Y204 VanDerWaalsContact O-N 3.16Å
201	C	98.3	Very high	96.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.02	28%	0.282	C	S	.	.	H	α-helix	trans	-72.1	-44	178	-59.9	0	0	0	0	112.5	R139 P165 F166 L197 L198 F199 A203 Y204 I205	R139-C201 PolarHBondContact NH2-SG 2.72Å; P165-C201 WeakPolarHBondContact CB-SG 3.48Å; F166-C201 HydrophobicContact CD1-CB 4.39Å; F166-C201 HydrophobicContact CE1-CB 3.66Å; F166-C201 HydrophobicContact CE2-CB 3.98Å; F166-C201 HydrophobicContact CZ-CB 3.42Å; F166-C201 VanDerWaalsContact CZ-CB 3.42Å; L197-C201 PolarHBondContact O-N 3.47Å; L197-C201 VanDerWaalsContact O-N 3.07Å; L197-C201 PolarHBondContact O-SG 2.77Å; L198-C201 WeakPolarHBondContact O-CB 3.36Å; L198-C201 PolarHBondContact O-N 3Å; F199-C201 PolarHBondContact O-N 2.86Å; C201-A203 VanDerWaalsContact C-N 3.33Å; C201-A203 PolarHBondContact O-N 3Å; C201-Y204 PolarHBondContact O-N 2.76Å; C201-I205 WeakPolarHBondContact O-CG1 3.38Å; C201-I205 PolarHBondContact O-N 3.13Å
202	I	97.8	Very high	96.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-40.7	176.9	-55.4	-58.9	0	0	0	111.3	F166 I183 V189 L198 F199 Y204 I205 H206 F213 L220	F166-I202 HydrophobicContact CE1-CD1 3.91Å; I183-I202 HydrophobicContact CG2-CD1 4.04Å; I183-I202 HydrophobicContact CG2-CG1 4.46Å; V189-I202 HydrophobicContact CB-CG2 4.47Å; V189-I202 HydrophobicContact CG1-CB 3.76Å; V189-I202 HydrophobicContact CG1-CG2 3.82Å; V189-I202 HydrophobicContact CG2-CB 4.27Å; V189-I202 HydrophobicContact CG2-CG2 3.98Å; L198-I202 HydrophobicContact CD2-CG1 3.87Å; L198-I202 WeakPolarHBondContact O-CG1 3.36Å; L198-I202 PolarHBondContact O-N 3.02Å; F199-I202 PolarHBondContact O-N 3.39Å; I202-Y204 VanDerWaalsContact C-N 3.31Å; I202-Y204 PolarHBondContact O-N 3.27Å; I202-I205 HydrophobicContact CD1-CD1 4.37Å; I202-I205 WeakPolarHBondContact O-CB 3.4Å; I202-I205 PolarHBondContact O-N 2.85Å; I202-H206 PolarHBondContact O-CD2 3.41Å; I202-H206 PolarHBondContact O-N 3.44Å; I202-F213 HydrophobicContact CD1-CZ 4.24Å; I202-F213 HydrophobicContact CG2-CE2 4.06Å; I202-F213 HydrophobicContact CG2-CZ 4.35Å; I202-L220 HydrophobicContact CD1-CD1 3.69Å; I202-L220 HydrophobicContact CD1-CD2 4.05Å; I202-L220 HydrophobicContact CD1-CG 4.37Å
203	A	97.6	Very high	96.1	Very high	11 Å²	11	48.6 Å²	48.6	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-60.2	-41.9	175	0	0	0	0	0	111.5	V189 K193 F199 C201 H206 H207	V189-A203 HydrophobicContact CG1-CB 3.95Å; K193-A203 HydrophobicContact CB-CB 3.92Å; K193-A203 HydrophobicContact CD-CB 3.92Å; F199-A203 VanDerWaalsContact O-CB 3.3Å; F199-A203 WeakPolarHBondContact O-CB 3.23Å; F199-A203 PolarHBondContact O-N 3.41Å; C201-A203 VanDerWaalsContact C-N 3.33Å; C201-A203 PolarHBondContact O-N 3Å; A203-H206 PolarHBondContact O-N 3.27Å; A203-H207 PolarHBondContact O-N 2.92Å
204	Y	97.1	Very high	95.9	Very high	31 Å²	31	49.9 Å²	49.9	12%	0.122	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-39.6	175.6	-174.6	-112.1	0	0	0	112.6	R139 Q142 T143 S200 C201 I202 H206 H207 C208	R139-Y204 HydrophobicContact CB-CD2 4.38Å; R139-Y204 HydrophobicContact CB-CE1 4.46Å; R139-Y204 HydrophobicContact CB-CE2 3.74Å; R139-Y204 HydrophobicContact CG-CD1 4.04Å; R139-Y204 HydrophobicContact CG-CD2 3.99Å; R139-Y204 HydrophobicContact CG-CE1 3.72Å; R139-Y204 HydrophobicContact CG-CE2 3.68Å; R139-Y204 HydrophobicContact CG-CG 4.15Å; Q142-Y204 PolarHBondContact OE1-OH 3.28Å; T143-Y204 HydrophobicContact CG2-CE2 4.37Å; S200-Y204 PolarHBondContact O-N 2.99Å; S200-Y204 VanDerWaalsContact O-N 3.16Å; C201-Y204 PolarHBondContact O-N 2.76Å; I202-Y204 VanDerWaalsContact C-N 3.31Å; I202-Y204 PolarHBondContact O-N 3.27Å; Y204-H206 VanDerWaalsContact C-N 3.34Å; Y204-H206 PolarHBondContact O-N 2.98Å; Y204-H207 WeakPolarHBondContact O-CB 3.38Å; Y204-H207 PolarHBondContact O-N 2.95Å; Y204-C208 VanDerWaalsContact CZ-SG 3.5Å; Y204-C208 PolarHBondContact O-N 3.48Å; Y204-C208 PolarHBondContact O-SG 2.68Å; Y204-C208 VanDerWaalsContact O-SG 3.41Å
205	I	96.5	Very high	95.8	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-57.9	-46.6	173.3	-71.2	170.5	0	0	0	110.9	F166 C201 I202 H207 C208 K209 F213 S217 L220	F166-I205 HydrophobicContact CZ-CD1 4.2Å; C201-I205 WeakPolarHBondContact O-CG1 3.38Å; C201-I205 PolarHBondContact O-N 3.13Å; I202-I205 HydrophobicContact CD1-CD1 4.37Å; I202-I205 WeakPolarHBondContact O-CB 3.4Å; I202-I205 PolarHBondContact O-N 2.85Å; I205-H207 PolarHBondContact O-N 3.35Å; I205-C208 PolarHBondContact O-N 3.09Å; I205-C208 VanDerWaalsContact O-N 3.16Å; I205-K209 HydrophobicContact CG2-CD 4.32Å; I205-K209 WeakPolarHBondContact O-CB 3.33Å; I205-K209 PolarHBondContact O-N 2.95Å; I205-F213 HydrophobicContact CG2-CE2 4.22Å; I205-S217 WeakPolarHBondContact CG2-OG 3.45Å; I205-L220 HydrophobicContact CD1-CD1 3.37Å
206	H	94.9	Very high	95.6	Very high	33 Å²	33	44.1 Å²	44.1	15%	0.153	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-22.4	176.6	-78.3	-55	0	0	0	114	I202 A203 Y204 F213	I202-H206 PolarHBondContact O-CD2 3.41Å; I202-H206 PolarHBondContact O-N 3.44Å; A203-H206 PolarHBondContact O-N 3.27Å; Y204-H206 VanDerWaalsContact C-N 3.34Å; Y204-H206 PolarHBondContact O-N 2.98Å; H206-F213 AromaticContact CE1-CD2 3.46Å; H206-F213 VanDerWaalsContact CE1-CD2 3.46Å; H206-F213 WeakPolarHBondContact CE1-CD2 3.44Å; H206-F213 AromaticContact NE2-CD2 3.8Å
207	H	93.8	Very high	95.5	Very high	144 Å²	144	42 Å²	42	67%	0.667	24%	0.236	S	C	*	.	H	α-helix	trans	-75.6	-38	172.2	-179.4	74.4	0	0	0	111.6	A203 Y204 I205	A203-H207 PolarHBondContact O-N 2.92Å; Y204-H207 WeakPolarHBondContact O-CB 3.38Å; Y204-H207 PolarHBondContact O-N 2.95Å; I205-H207 PolarHBondContact O-N 3.35Å
208	C	93	Very high	95.3	Very high	64 Å²	64	45.5 Å²	45.5	43%	0.432	25%	0.251	S	S	.	.	H	α-helix	trans	-87	-30.1	-176.3	-64.8	0	0	0	0	114.3	Y204 I205	Y204-C208 VanDerWaalsContact CZ-SG 3.5Å; Y204-C208 PolarHBondContact O-N 3.48Å; Y204-C208 PolarHBondContact O-SG 2.68Å; Y204-C208 VanDerWaalsContact O-SG 3.41Å; I205-C208 PolarHBondContact O-N 3.09Å; I205-C208 VanDerWaalsContact O-N 3.16Å
209	K	93.5	Very high	95.2	Very high	43 Å²	43	46.7 Å²	46.7	19%	0.187	26%	0.259	C	S	.	.			trans	-119.7	144.6	-172.1	-56.4	-173.7	-177.4	-180	0	111	D160 I205 H216	D160-K209 IonicContact OD1-NZ 2.66Å; D160-K209 PolarHBondContact OD1-NZ 2.99Å; D160-K209 WeakPolarHBondContact OD2-CE 3.49Å; D160-K209 IonicContact OD2-NZ 3.49Å; D160-K209 PolarHBondContact OD2-NZ 3.01Å; D160-K209 VanDerWaalsContact OD2-NZ 3.08Å; I205-K209 HydrophobicContact CG2-CD 4.32Å; I205-K209 WeakPolarHBondContact O-CB 3.33Å; I205-K209 PolarHBondContact O-N 2.95Å; K209-H216 HydrophobicContact CB-CB 4.35Å; K209-H216 HydrophobicContact CD-CB 3.96Å; K209-H216 PolarHBondContact NZ-O 3.08Å
210	T	92.8	Very high	95.1	Very high	137 Å²	137	46.8 Å²	46.8	84%	0.84	26%	0.259	S	S	*	.			trans	-119.7	158.3	177	61.2	0	0	0	0	110.5
211	G	93.6	Very high	95	Very high	56 Å²	56	49 Å²	49	58%	0.577	26%	0.264	S	S	*	.	S	Bend	trans	102.3	-174.9	-175.7	0	0	0	0	0	113.2
212	P	93.9	Very high	94.9	Very high	55 Å²	55	50.9 Å²	50.9	36%	0.357	28%	0.284	S	S	.	.			trans	-62.2	139.2	175.8	-19.9	32.6	0	0	0	112	E214 E215 H216	P212-E214 VanDerWaalsContact C-N 3.3Å; P212-E214 HydrophobicContact CB-CG 4.27Å; P212-E214 PolarHBondContact O-N 3.27Å; P212-E215 HydrophobicContact CB-CG 4.08Å; P212-E215 WeakPolarHBondContact CD-OE2 3.35Å; P212-E215 HydrophobicContact CG-CG 4.22Å; P212-E215 PolarHBondContact O-N 3.26Å; P212-E215 VanDerWaalsContact O-N 3.11Å; P212-H216 PolarHBondContact O-CD2 3.39Å
213	F	93.9	Very high	94.9	Very high	16 Å²	16	52 Å²	52	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-38	-173	-174.2	-97.2	0	0	0	112.6	I183 I202 I205 H206 E215 H216 S217 L220 Y221	I183-F213 HydrophobicContact CG2-CE1 3.94Å; I183-F213 HydrophobicContact CG2-CZ 3.97Å; I202-F213 HydrophobicContact CD1-CZ 4.24Å; I202-F213 HydrophobicContact CG2-CE2 4.06Å; I202-F213 HydrophobicContact CG2-CZ 4.35Å; I205-F213 HydrophobicContact CG2-CE2 4.22Å; H206-F213 AromaticContact CE1-CD2 3.46Å; H206-F213 VanDerWaalsContact CE1-CD2 3.46Å; H206-F213 WeakPolarHBondContact CE1-CD2 3.44Å; H206-F213 AromaticContact NE2-CD2 3.8Å; F213-E215 PolarHBondContact O-N 3.48Å; F213-H216 AromaticContact CD2-CE1 3.59Å; F213-H216 PolarHBondContact O-N 2.62Å; F213-S217 CarbonylContact O-C 3.58Å; F213-S217 WeakPolarHBondContact O-CA 3.08Å; F213-S217 WeakPolarHBondContact O-CB 3.47Å; F213-S217 PolarHBondContact O-N 3.03Å; F213-L220 HydrophobicContact CE1-CB 3.76Å; F213-L220 HydrophobicContact CZ-CB 3.75Å; F213-L220 HydrophobicContact CZ-CD1 4.14Å; F213-Y221 HydrophobicContact CD1-CD2 4.37Å
214	E	93.9	Very high	94.9	Very high	87 Å²	87	51.5 Å²	51.5	41%	0.407	29%	0.286	S	S	.	.	H	α-helix	trans	-63.5	-24.5	177	61.1	-87.6	-152.4	0	0	114.1	P212 Y221	P212-E214 VanDerWaalsContact C-N 3.3Å; P212-E214 HydrophobicContact CB-CG 4.27Å; P212-E214 PolarHBondContact O-N 3.27Å; E214-Y221 HydrophobicContact CB-CD1 4.25Å; E214-Y221 HydrophobicContact CB-CD2 3.6Å; E214-Y221 HydrophobicContact CB-CE2 3.89Å; E214-Y221 HydrophobicContact CB-CG 3.78Å
215	E	93.9	Very high	94.9	Very high	133 Å²	133	55.2 Å²	55.2	62%	0.621	30%	0.304	S	S	*	.	H	α-helix	trans	-80.6	-37.2	179.8	-69.2	-175.5	-179.9	0	0	111.6	V155 P212 F213	V155-E215 WeakPolarHBondContact CG1-O 2.9Å; P212-E215 HydrophobicContact CB-CG 4.08Å; P212-E215 WeakPolarHBondContact CD-OE2 3.35Å; P212-E215 HydrophobicContact CG-CG 4.22Å; P212-E215 PolarHBondContact O-N 3.26Å; P212-E215 VanDerWaalsContact O-N 3.11Å; F213-E215 PolarHBondContact O-N 3.48Å
216	H	92.7	Very high	94.9	Very high	24 Å²	24	56.9 Å²	56.9	11%	0.111	31%	0.314	C	S	.	.	H	α-helix	trans	-106.2	-13	-173.6	68.1	57.2	0	0	0	114.3	K209 P212 F213	K209-H216 HydrophobicContact CB-CB 4.35Å; K209-H216 HydrophobicContact CD-CB 3.96Å; K209-H216 PolarHBondContact NZ-O 3.08Å; P212-H216 PolarHBondContact O-CD2 3.39Å; F213-H216 AromaticContact CD2-CE1 3.59Å; F213-H216 PolarHBondContact O-N 2.62Å
217	S	94.7	Very high	94.9	Very high	5 Å²	5	60.7 Å²	60.7	4%	0.035	34%	0.342	C	S	.	.			trans	-140.5	49.9	-177.3	-62.6	0	0	0	0	111.7	I205 F213 T219 L220 Y221	I205-S217 WeakPolarHBondContact CG2-OG 3.45Å; F213-S217 CarbonylContact O-C 3.58Å; F213-S217 WeakPolarHBondContact O-CA 3.08Å; F213-S217 WeakPolarHBondContact O-CB 3.47Å; F213-S217 PolarHBondContact O-N 3.03Å; S217-T219 VanDerWaalsContact C-N 3.34Å; S217-T219 PolarHBondContact O-N 3.35Å; S217-L220 PolarHBondContact O-N 3.26Å; S217-L220 VanDerWaalsContact O-N 3.13Å; S217-Y221 PolarHBondContact O-N 2.94Å
218	H	94.8	Very high	95	Very high	80 Å²	80	60.4 Å²	60.4	37%	0.37	34%	0.339	S	S	.	.	H	α-helix	trans	-55	-43.3	-172.6	-172.2	78	0	0	0	113.8	W156 L220 Y221 G222	W156-H218 AromaticContact CE3-CD2 3.75Å; W156-H218 AromaticContact CH2-CD2 3.94Å; W156-H218 AromaticContact CH2-NE2 3.96Å; W156-H218 AromaticContact CZ3-CD2 3.21Å; W156-H218 WeakPolarHBondContact CZ3-CD2 3.35Å; W156-H218 AromaticContact CZ3-NE2 3.51Å; H218-L220 PolarHBondContact O-N 3.19Å; H218-Y221 WeakPolarHBondContact O-CB 3.41Å; H218-Y221 PolarHBondContact O-N 3.07Å; H218-G222 PolarHBondContact O-N 3.26Å
219	T	95.7	Very high	95.3	Very high	28 Å²	28	57.8 Å²	57.8	17%	0.172	32%	0.32	C	S	.	.	H	α-helix	trans	-63.2	-42.8	178.8	-62.1	0	0	0	0	112.1	W156 C157 L158 S217 Y221 G222 I223 M239	W156-T219 PolarHBondContact O-OG1 2.86Å; C157-T219 WeakPolarHBondContact O-CB 3.06Å; C157-T219 PolarHBondContact O-OG1 3.34Å; L158-T219 HydrophobicContact CD1-CG2 4.33Å; S217-T219 VanDerWaalsContact C-N 3.34Å; S217-T219 PolarHBondContact O-N 3.35Å; T219-Y221 VanDerWaalsContact C-N 3.34Å; T219-G222 PolarHBondContact O-N 2.77Å; T219-I223 HydrophobicContact CG2-CD1 4.15Å; T219-I223 WeakPolarHBondContact O-CG1 3.34Å; T219-I223 PolarHBondContact O-N 3.26Å; T219-M239 HydrophobicContact CG2-CE 4.05Å; T219-M239 HydrophobicContact CG2-SD 4.4Å
220	L	96.7	Very high	95.5	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-35.8	176.3	-73.4	167.2	0	0	0	111.9	L158 F166 I183 I202 I205 F213 S217 H218 I223 S224	L158-L220 HydrophobicContact CD1-CD2 3.57Å; L158-L220 HydrophobicContact CD1-CG 4.09Å; L158-L220 HydrophobicContact CG-CD2 4.45Å; L158-L220 VanDerWaalsContact O-CD1 3.23Å; L158-L220 WeakPolarHBondContact O-CD1 3.41Å; L158-L220 WeakPolarHBondContact O-CG 3.37Å; F166-L220 HydrophobicContact CD1-CD2 3.94Å; F166-L220 HydrophobicContact CE1-CD1 4.09Å; F166-L220 HydrophobicContact CE1-CD2 3.79Å; F166-L220 HydrophobicContact CZ-CD1 4.4Å; I183-L220 HydrophobicContact CG2-CB 4.4Å; I202-L220 HydrophobicContact CD1-CD1 3.69Å; I202-L220 HydrophobicContact CD1-CD2 4.05Å; I202-L220 HydrophobicContact CD1-CG 4.37Å; I205-L220 HydrophobicContact CD1-CD1 3.37Å; F213-L220 HydrophobicContact CE1-CB 3.76Å; F213-L220 HydrophobicContact CZ-CB 3.75Å; F213-L220 HydrophobicContact CZ-CD1 4.14Å; S217-L220 PolarHBondContact O-N 3.26Å; S217-L220 VanDerWaalsContact O-N 3.13Å; H218-L220 PolarHBondContact O-N 3.19Å; L220-I223 HydrophobicContact CD2-CD1 4.29Å; L220-I223 PolarHBondContact O-N 3.24Å; L220-S224 PolarHBondContact O-N 3.41Å
221	Y	96.3	Very high	95.8	Very high	75 Å²	75	60.2 Å²	60.2	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-46.6	171.7	-174.4	-87.6	0	0	0	111	R184 F213 E214 S217 H218 T219 I223 S224	R184-Y221 HydrophobicContact CG-CD2 4.27Å; R184-Y221 HydrophobicContact CG-CE2 4.45Å; F213-Y221 HydrophobicContact CD1-CD2 4.37Å; E214-Y221 HydrophobicContact CB-CD1 4.25Å; E214-Y221 HydrophobicContact CB-CD2 3.6Å; E214-Y221 HydrophobicContact CB-CE2 3.89Å; E214-Y221 HydrophobicContact CB-CG 3.78Å; S217-Y221 PolarHBondContact O-N 2.94Å; H218-Y221 WeakPolarHBondContact O-CB 3.41Å; H218-Y221 PolarHBondContact O-N 3.07Å; T219-Y221 VanDerWaalsContact C-N 3.34Å; Y221-I223 VanDerWaalsContact C-N 3.32Å; Y221-I223 PolarHBondContact O-N 3.03Å; Y221-S224 WeakPolarHBondContact O-CB 3.46Å; Y221-S224 PolarHBondContact O-N 3.19Å; Y221-S224 VanDerWaalsContact O-N 3.08Å; Y221-S224 PolarHBondContact O-OG 3.44Å
222	G	96.5	Very high	96	Very high	42 Å²	42	57.7 Å²	57.7	43%	0.433	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-36.5	174.5	0	0	0	0	0	113.5	H218 T219 S224 E225	H218-G222 PolarHBondContact O-N 3.26Å; T219-G222 PolarHBondContact O-N 2.77Å; G222-S224 VanDerWaalsContact C-N 3.26Å; G222-S224 PolarHBondContact O-N 3.47Å; G222-E225 PolarHBondContact O-N 2.89Å
223	I	97.1	Very high	96.2	Very high	24 Å²	24	56.2 Å²	56.2	12%	0.123	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-33.1	174.2	-71.6	164.6	0	0	0	111.5	L158 I183 T219 L220 Y221 E225 V226 V232 L236	L158-I223 HydrophobicContact CD1-CD1 3.51Å; I183-I223 HydrophobicContact CD1-CG2 3.79Å; T219-I223 HydrophobicContact CG2-CD1 4.15Å; T219-I223 WeakPolarHBondContact O-CG1 3.34Å; T219-I223 PolarHBondContact O-N 3.26Å; L220-I223 HydrophobicContact CD2-CD1 4.29Å; L220-I223 PolarHBondContact O-N 3.24Å; Y221-I223 VanDerWaalsContact C-N 3.32Å; Y221-I223 PolarHBondContact O-N 3.03Å; I223-E225 PolarHBondContact O-N 3.34Å; I223-V226 VanDerWaalsContact O-CB 3.3Å; I223-V226 WeakPolarHBondContact O-CB 3.35Å; I223-V226 WeakPolarHBondContact O-CG2 3.49Å; I223-V226 PolarHBondContact O-N 3.06Å; I223-V232 HydrophobicContact CG2-CB 4.39Å; I223-V232 HydrophobicContact CG2-CG1 3.57Å; I223-V232 HydrophobicContact CG2-CG2 3.95Å; I223-L236 HydrophobicContact CD1-CD2 3.88Å
224	S	97	Very high	96.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-17.4	178.1	82.7	0	0	0	0	113.9	P180 T181 R184 L220 Y221 G222	P180-S224 CarbonylContact C-O 3.59Å; P180-S224 WeakPolarHBondContact O-CA 3.44Å; P180-S224 WeakPolarHBondContact O-CB 3.3Å; T181-S224 WeakPolarHBondContact CA-O 3.32Å; T181-S224 WeakPolarHBondContact CG2-O 3.49Å; T181-S224 PolarHBondContact N-O 3.14Å; R184-S224 VanDerWaalsContact CD-OG 3.3Å; R184-S224 WeakPolarHBondContact CD-OG 3.37Å; R184-S224 WeakPolarHBondContact CG-OG 3.21Å; R184-S224 PolarHBondContact NE-OG 3.34Å; L220-S224 PolarHBondContact O-N 3.41Å; Y221-S224 WeakPolarHBondContact O-CB 3.46Å; Y221-S224 PolarHBondContact O-N 3.19Å; Y221-S224 VanDerWaalsContact O-N 3.08Å; Y221-S224 PolarHBondContact O-OG 3.44Å; G222-S224 VanDerWaalsContact C-N 3.26Å; G222-S224 PolarHBondContact O-N 3.47Å
225	E	97.1	Very high	96.7	Very high	108 Å²	108	55 Å²	55	51%	0.505	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.9	175.1	-61.3	-61.4	147.6	0	0	113	R184 G222 I223	R184-E225 IonicContact CZ-OE1 3.79Å; R184-E225 VanDerWaalsContact CZ-OE1 3.32Å; R184-E225 IonicContact NH1-OE1 2.76Å; R184-E225 PolarHBondContact NH1-OE1 3.32Å; R184-E225 IonicContact NH2-OE1 2.68Å; R184-E225 PolarHBondContact NH2-OE1 3.28Å; G222-E225 PolarHBondContact O-N 2.89Å; I223-E225 PolarHBondContact O-N 3.34Å
226	V	96.9	Very high	96.9	Very high	39 Å²	39	48.9 Å²	48.9	24%	0.236	26%	0.263	C	S	.	.	S	Bend	trans	-76.1	127.8	176.1	178.8	0	0	0	0	109.1	P180 I223 K228 K231 V232	P180-V226 VanDerWaalsContact CB-O 3.25Å; P180-V226 WeakPolarHBondContact CB-O 3.43Å; P180-V226 WeakPolarHBondContact CG-O 3.14Å; I223-V226 VanDerWaalsContact O-CB 3.3Å; I223-V226 WeakPolarHBondContact O-CB 3.35Å; I223-V226 WeakPolarHBondContact O-CG2 3.49Å; I223-V226 PolarHBondContact O-N 3.06Å; V226-K228 VanDerWaalsContact C-N 3.31Å; V226-K228 PolarHBondContact O-N 3.35Å; V226-K228 VanDerWaalsContact O-N 3.14Å; V226-K231 HydrophobicContact CG1-CB 3.71Å; V226-K231 HydrophobicContact CG1-CG 3.66Å; V226-V232 HydrophobicContact CB-CG2 3.65Å; V226-V232 HydrophobicContact CG1-CG2 3.64Å; V226-V232 HydrophobicContact CG2-CG2 4.35Å
227	P	94.7	Very high	97.1	Very high	112 Å²	112	51.9 Å²	51.9	73%	0.727	28%	0.279	S	S	*	.	S	Bend	trans	-65.3	-22.8	-170.8	-27.7	34.6	0	0	0	117
228	K	97.2	Very high	97.3	Very high	139 Å²	139	58.8 Å²	58.8	60%	0.604	31%	0.308	S	S	*	.			trans	-145.9	141.2	-168.4	-67.8	-167.4	178.9	-171	0	112.8	V226 E230 K231 V232	V226-K228 VanDerWaalsContact C-N 3.31Å; V226-K228 PolarHBondContact O-N 3.35Å; V226-K228 VanDerWaalsContact O-N 3.14Å; K228-E230 VanDerWaalsContact C-N 3.31Å; K228-E230 WeakPolarHBondContact CB-OE2 3.25Å; K228-E230 PolarHBondContact O-N 3.4Å; K228-K231 WeakPolarHBondContact O-CB 3.48Å; K228-K231 PolarHBondContact O-N 3.14Å; K228-V232 PolarHBondContact O-N 3.33Å
229	W	98.4	Very high	97.4	Very high	9 Å²	9	57.4 Å²	57.4	3%	0.034	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-30.8	179.5	-72.1	114.8	0	0	0	114	L173 I174 Y178 P180 V182 I183 L198 K231 V232 N233	L173-W229 HydrophobicContact CB-CD2 3.69Å; L173-W229 HydrophobicContact CB-CE3 4.33Å; L173-W229 HydrophobicContact CB-CG 3.78Å; L173-W229 HydrophobicContact CB-CZ2 4.23Å; L173-W229 HydrophobicContact CD1-CD2 4.24Å; L173-W229 HydrophobicContact CD1-CE3 4.32Å; L173-W229 HydrophobicContact CD1-CH2 3.62Å; L173-W229 HydrophobicContact CD1-CZ2 3.51Å; L173-W229 HydrophobicContact CD1-CZ3 4.04Å; L173-W229 HydrophobicContact CG-CZ2 4.37Å; L173-W229 VanDerWaalsContact O-CD1 3.24Å; I174-W229 HydrophobicContact CG1-CB 3.78Å; Y178-W229 VanDerWaalsContact O-CD1 3.25Å; Y178-W229 PolarHBondContact O-NE1 3.15Å; P180-W229 VanDerWaalsContact CA-CZ2 3.48Å; P180-W229 HydrophobicContact CB-CH2 4.28Å; P180-W229 HydrophobicContact CB-CZ2 4.22Å; P180-W229 HydrophobicContact CB-CZ3 4.43Å; P180-W229 HydrophobicContact CG-CD2 3.81Å; P180-W229 HydrophobicContact CG-CE3 4.13Å; P180-W229 HydrophobicContact CG-CG 4.16Å; P180-W229 HydrophobicContact CG-CZ2 4.25Å; P180-W229 HydrophobicContact CG-CZ3 4.48Å; V182-W229 HydrophobicContact CG1-CZ2 3.86Å; I183-W229 HydrophobicContact CD1-CH2 3.84Å; I183-W229 HydrophobicContact CD1-CZ3 4.18Å; I183-W229 HydrophobicContact CG1-CH2 3.86Å; L198-W229 HydrophobicContact CD1-CH2 3.95Å; L198-W229 HydrophobicContact CD1-CZ3 3.58Å; L198-W229 HydrophobicContact CD2-CH2 4.16Å; W229-K231 PolarHBondContact O-N 3.49Å; W229-V232 HydrophobicContact CE3-CB 3.93Å; W229-V232 HydrophobicContact CE3-CG1 3.91Å; W229-V232 HydrophobicContact CE3-CG2 4.13Å; W229-V232 HydrophobicContact CZ3-CB 4.41Å; W229-V232 HydrophobicContact CZ3-CG1 3.96Å; W229-V232 HydrophobicContact CZ3-CG2 4.47Å; W229-V232 PolarHBondContact O-N 3.11Å; W229-N233 VanDerWaalsContact O-CB 3.24Å; W229-N233 WeakPolarHBondContact O-CB 3.43Å; W229-N233 PolarHBondContact O-N 3.19Å
230	E	98.3	Very high	97.5	Very high	98 Å²	98	57.2 Å²	57.2	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-36.7	174.4	-60.3	86.8	161.3	0	0	111.1	I174 K228 S234	I174-E230 HydrophobicContact CD1-CG 4.14Å; I174-E230 HydrophobicContact CG1-CG 4.15Å; I174-E230 HydrophobicContact CG2-CG 3.9Å; K228-E230 VanDerWaalsContact C-N 3.31Å; K228-E230 WeakPolarHBondContact CB-OE2 3.25Å; K228-E230 PolarHBondContact O-N 3.4Å; E230-S234 WeakPolarHBondContact O-CB 3.5Å; E230-S234 PolarHBondContact O-N 3Å; E230-S234 PolarHBondContact O-OG 3.06Å
231	K	98.1	Very high	97.5	Very high	132 Å²	132	62.7 Å²	62.7	57%	0.574	32%	0.322	S	S	*	.	H	α-helix	trans	-74.9	-40.2	177	-173	62.7	175.6	-172.5	0	111.3	V226 K228 W229 S234 G235	V226-K231 HydrophobicContact CG1-CB 3.71Å; V226-K231 HydrophobicContact CG1-CG 3.66Å; K228-K231 WeakPolarHBondContact O-CB 3.48Å; K228-K231 PolarHBondContact O-N 3.14Å; W229-K231 PolarHBondContact O-N 3.49Å; K231-S234 PolarHBondContact O-OG 3.01Å; K231-G235 PolarHBondContact O-N 3.43Å
232	V	98.5	Very high	97.5	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.024	32%	0.322	C	S	.	.	H	α-helix	trans	-58.7	-53.9	172.5	173.7	0	0	0	0	110.2	P180 I223 V226 K228 W229 S234 G235 L236	P180-V232 HydrophobicContact CB-CG2 4.06Å; P180-V232 HydrophobicContact CG-CG2 3.81Å; I223-V232 HydrophobicContact CG2-CB 4.39Å; I223-V232 HydrophobicContact CG2-CG1 3.57Å; I223-V232 HydrophobicContact CG2-CG2 3.95Å; V226-V232 HydrophobicContact CB-CG2 3.65Å; V226-V232 HydrophobicContact CG1-CG2 3.64Å; V226-V232 HydrophobicContact CG2-CG2 4.35Å; K228-V232 PolarHBondContact O-N 3.33Å; W229-V232 HydrophobicContact CE3-CB 3.93Å; W229-V232 HydrophobicContact CE3-CG1 3.91Å; W229-V232 HydrophobicContact CE3-CG2 4.13Å; W229-V232 HydrophobicContact CZ3-CB 4.41Å; W229-V232 HydrophobicContact CZ3-CG1 3.96Å; W229-V232 HydrophobicContact CZ3-CG2 4.47Å; W229-V232 PolarHBondContact O-N 3.11Å; V232-S234 PolarHBondContact O-N 3.32Å; V232-G235 CarbonylContact O-C 3.56Å; V232-G235 WeakPolarHBondContact O-CA 3.46Å; V232-G235 PolarHBondContact O-N 3.05Å; V232-G235 VanDerWaalsContact O-N 3.12Å; V232-L236 HydrophobicContact CG1-CD1 3.72Å; V232-L236 HydrophobicContact CG1-CG 4.19Å; V232-L236 WeakPolarHBondContact O-CG 3.46Å; V232-L236 PolarHBondContact O-N 3.23Å
233	N	98.7	Very high	97.4	Very high	23 Å²	23	62.3 Å²	62.3	12%	0.123	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-50.6	-177.4	-179.9	-95	0	0	0	112	I167 S170 S171 I174 W229 G235 L236 I237	I167-N233 PolarHBondContact O-ND2 3.33Å; S170-N233 WeakPolarHBondContact OG-CA 3.49Å; S170-N233 PolarHBondContact OG-ND2 2.84Å; S170-N233 VanDerWaalsContact OG-ND2 3.13Å; S171-N233 PolarHBondContact N-ND2 3.16Å; I174-N233 HydrophobicContact CD1-CB 4.28Å; W229-N233 VanDerWaalsContact O-CB 3.24Å; W229-N233 WeakPolarHBondContact O-CB 3.43Å; W229-N233 PolarHBondContact O-N 3.19Å; N233-G235 VanDerWaalsContact C-N 3.27Å; N233-G235 PolarHBondContact O-N 3.42Å; N233-L236 PolarHBondContact O-N 2.96Å; N233-I237 WeakPolarHBondContact O-CG1 3.3Å; N233-I237 PolarHBondContact O-N 3.2Å
234	S	98.3	Very high	97.2	Very high	44 Å²	44	61.3 Å²	61.3	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-31.7	176.4	60	0	0	0	0	113.1	E230 K231 V232 K238	E230-S234 WeakPolarHBondContact O-CB 3.5Å; E230-S234 PolarHBondContact O-N 3Å; E230-S234 PolarHBondContact O-OG 3.06Å; K231-S234 PolarHBondContact O-OG 3.01Å; V232-S234 PolarHBondContact O-N 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.3Å; S234-K238 PolarHBondContact O-N 3.45Å
235	G	98.3	Very high	97.2	Very high	34 Å²	34	64.9 Å²	64.9	35%	0.351	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-46.7	172	0	0	0	0	0	112.5	K231 V232 N233 I237 K238 M239	K231-G235 PolarHBondContact O-N 3.43Å; V232-G235 CarbonylContact O-C 3.56Å; V232-G235 WeakPolarHBondContact O-CA 3.46Å; V232-G235 PolarHBondContact O-N 3.05Å; V232-G235 VanDerWaalsContact O-N 3.12Å; N233-G235 VanDerWaalsContact C-N 3.27Å; N233-G235 PolarHBondContact O-N 3.42Å; G235-I237 VanDerWaalsContact C-N 3.35Å; G235-I237 PolarHBondContact O-N 3.32Å; G235-K238 WeakPolarHBondContact O-CB 3.45Å; G235-K238 PolarHBondContact O-N 3.05Å; G235-K238 VanDerWaalsContact O-N 3.16Å; G235-M239 WeakPolarHBondContact O-CB 3.5Å; G235-M239 PolarHBondContact O-N 2.84Å
236	L	98.3	Very high	97.1	Very high	5 Å²	5	65.8 Å²	65.8	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-62.7	-38.9	177.6	-72.5	172.7	0	0	0	111.9	L158 F163 F166 I167 I223 V232 N233 K238 M239 Y240	L158-L236 HydrophobicContact CD1-CD2 3.79Å; L158-L236 HydrophobicContact CD2-CD2 3.77Å; L158-L236 HydrophobicContact CG-CD2 4.46Å; F163-L236 HydrophobicContact CE1-CB 4.42Å; F163-L236 HydrophobicContact CE1-CD2 4.3Å; F163-L236 WeakPolarHBondContact CE1-O 3.49Å; F166-L236 HydrophobicContact CB-CD1 4.08Å; F166-L236 WeakPolarHBondContact O-CD1 3.47Å; I167-L236 HydrophobicContact CG1-CB 3.93Å; I223-L236 HydrophobicContact CD1-CD2 3.88Å; V232-L236 HydrophobicContact CG1-CD1 3.72Å; V232-L236 HydrophobicContact CG1-CG 4.19Å; V232-L236 WeakPolarHBondContact O-CG 3.46Å; V232-L236 PolarHBondContact O-N 3.23Å; N233-L236 PolarHBondContact O-N 2.96Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 3.43Å; L236-M239 PolarHBondContact O-N 3.45Å; L236-Y240 WeakPolarHBondContact O-CB 3.34Å; L236-Y240 PolarHBondContact O-N 3.29Å
237	I	98.4	Very high	97	Very high	87 Å²	87	66.9 Å²	66.9	45%	0.446	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-43.4	173.8	-68.2	167.9	0	0	0	111.1	I167 N233 G235 Y240 K241	I167-I237 HydrophobicContact CG2-CD1 4.33Å; I167-I237 HydrophobicContact CG2-CG1 3.67Å; N233-I237 WeakPolarHBondContact O-CG1 3.3Å; N233-I237 PolarHBondContact O-N 3.2Å; G235-I237 VanDerWaalsContact C-N 3.35Å; G235-I237 PolarHBondContact O-N 3.32Å; I237-Y240 PolarHBondContact O-N 3.16Å; I237-K241 PolarHBondContact O-N 2.94Å; I237-K241 VanDerWaalsContact O-N 3.14Å
238	K	98	Very high	97	Very high	150 Å²	150	66.7 Å²	66.7	65%	0.652	33%	0.326	S	S	*	.	H	α-helix	trans	-66.2	-42	177.2	-70.7	173.4	-178	-176.9	0	111.7	S234 G235 L236 K241 G242	S234-K238 WeakPolarHBondContact O-CG 3.3Å; S234-K238 PolarHBondContact O-N 3.45Å; G235-K238 WeakPolarHBondContact O-CB 3.45Å; G235-K238 PolarHBondContact O-N 3.05Å; G235-K238 VanDerWaalsContact O-N 3.16Å; L236-K238 VanDerWaalsContact C-N 3.33Å; L236-K238 PolarHBondContact O-N 3.43Å; K238-K241 PolarHBondContact O-N 3.49Å; K238-G242 PolarHBondContact O-N 2.66Å; K238-G242 VanDerWaalsContact O-N 3.13Å
239	M	97	Very high	96.8	Very high	50 Å²	50	64 Å²	64	25%	0.246	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-40.2	177.4	-175	-173.6	176.1	0	0	111.2	L158 F163 T219 G235 L236 K241 G242 E243	L158-M239 HydrophobicContact CB-CE 4.12Å; F163-M239 HydrophobicContact CE2-CE 4.23Å; F163-M239 HydrophobicContact CE2-CG 4.03Å; F163-M239 HydrophobicContact CE2-SD 4.2Å; F163-M239 HydrophobicContact CZ-CB 3.83Å; F163-M239 HydrophobicContact CZ-CG 3.66Å; F163-M239 HydrophobicContact CZ-SD 3.88Å; T219-M239 HydrophobicContact CG2-CE 4.05Å; T219-M239 HydrophobicContact CG2-SD 4.4Å; G235-M239 WeakPolarHBondContact O-CB 3.5Å; G235-M239 PolarHBondContact O-N 2.84Å; L236-M239 PolarHBondContact O-N 3.45Å; M239-K241 VanDerWaalsContact C-N 3.32Å; M239-K241 PolarHBondContact O-N 3.26Å; M239-G242 PolarHBondContact O-N 2.98Å; M239-E243 HydrophobicContact CE-CG 4.27Å; M239-E243 HydrophobicContact CG-CG 3.98Å; M239-E243 WeakPolarHBondContact O-CB 3.42Å; M239-E243 PolarHBondContact O-N 3.49Å
240	Y	97.5	Very high	96.5	Very high	25 Å²	25	64.7 Å²	64.7	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-43.3	174.7	-176	-112.3	0	0	0	111.9	L94 F163 V164 I167 L236 I237 G242 V244 L245	L94-Y240 WeakPolarHBondContact CD1-OH 3.31Å; F163-Y240 HydrophobicContact CB-CD2 3.93Å; F163-Y240 HydrophobicContact CB-CE2 4.16Å; F163-Y240 AromaticContact CD1-CD2 3.55Å; F163-Y240 HydrophobicContact CD1-CD2 3.55Å; F163-Y240 HydrophobicContact CD1-CG 4.13Å; F163-Y240 HydrophobicContact CD2-CD2 4.2Å; F163-Y240 HydrophobicContact CE1-CD2 4.12Å; F163-Y240 HydrophobicContact CE1-CG 4.33Å; F163-Y240 AromaticContact CG-CD2 3.62Å; F163-Y240 HydrophobicContact CG-CD2 3.62Å; F163-Y240 HydrophobicContact CG-CE2 4.35Å; F163-Y240 VanDerWaalsContact CZ-N 3.34Å; V164-Y240 HydrophobicContact CG2-CE2 3.86Å; I167-Y240 HydrophobicContact CD1-CD1 4.32Å; I167-Y240 HydrophobicContact CD1-CD2 4.27Å; I167-Y240 HydrophobicContact CD1-CG 3.87Å; L236-Y240 WeakPolarHBondContact O-CB 3.34Å; L236-Y240 PolarHBondContact O-N 3.29Å; I237-Y240 PolarHBondContact O-N 3.16Å; Y240-G242 PolarHBondContact O-N 3.06Å; Y240-V244 HydrophobicContact CD2-CB 3.75Å; Y240-V244 HydrophobicContact CD2-CG1 4.23Å; Y240-V244 HydrophobicContact CD2-CG2 3.52Å; Y240-V244 HydrophobicContact CE2-CB 3.71Å; Y240-V244 HydrophobicContact CE2-CG1 3.65Å; Y240-V244 HydrophobicContact CE2-CG2 3.71Å; Y240-V244 HydrophobicContact CG-CB 4.42Å; Y240-V244 HydrophobicContact CG-CG2 4.46Å; Y240-V244 WeakPolarHBondContact O-CA 3.41Å; Y240-V244 VanDerWaalsContact O-CB 3.25Å; Y240-V244 WeakPolarHBondContact O-CB 3.49Å; Y240-V244 PolarHBondContact O-N 3.38Å; Y240-L245 HydrophobicContact CD1-CD1 4Å; Y240-L245 HydrophobicContact CD1-CG 4.04Å; Y240-L245 HydrophobicContact CE1-CD1 3.86Å; Y240-L245 HydrophobicContact CE1-CD2 3.77Å; Y240-L245 HydrophobicContact CE1-CG 3.79Å; Y240-L245 PolarHBondContact O-N 3.45Å; Y240-L245 VanDerWaalsContact O-N 3.11Å
241	K	97	Very high	96.3	Very high	117 Å²	117	61.8 Å²	61.8	51%	0.509	32%	0.317	S	S	.	.	I	π-helix	trans	-58.4	-49.5	174.9	-178.5	175.3	166.9	176.9	0	111.4	I237 K238 M239 L245 E246	I237-K241 PolarHBondContact O-N 2.94Å; I237-K241 VanDerWaalsContact O-N 3.14Å; K238-K241 PolarHBondContact O-N 3.49Å; M239-K241 VanDerWaalsContact C-N 3.32Å; M239-K241 PolarHBondContact O-N 3.26Å; K241-L245 CarbonylContact O-C 3.55Å; K241-L245 PolarHBondContact O-N 2.86Å; K241-E246 WeakPolarHBondContact CE-OE1 3.4Å; K241-E246 HydrophobicContact CG-CG 4.27Å; K241-E246 IonicContact NZ-OE1 3.38Å; K241-E246 WeakPolarHBondContact O-CB 3.45Å; K241-E246 WeakPolarHBondContact O-CG 3.49Å; K241-E246 PolarHBondContact O-N 3.06Å
242	G	95.7	Very high	96.1	Very high	27 Å²	27	58.7 Å²	58.7	28%	0.278	31%	0.305	S	S	.	.	I	π-helix	trans	-73.8	-41.7	-176.9	0	0	0	0	0	115	K238 M239 Y240	K238-G242 PolarHBondContact O-N 2.66Å; K238-G242 VanDerWaalsContact O-N 3.13Å; M239-G242 PolarHBondContact O-N 2.98Å; Y240-G242 PolarHBondContact O-N 3.06Å
243	E	94.1	Very high	95.8	Very high	82 Å²	82	62 Å²	62	38%	0.383	32%	0.32	S	S	.	.	I	π-helix	trans	-95.3	-15.9	-171.8	-63.7	-60.1	163.1	0	0	114.1	M239 K247	M239-E243 HydrophobicContact CE-CG 4.27Å; M239-E243 HydrophobicContact CG-CG 3.98Å; M239-E243 WeakPolarHBondContact O-CB 3.42Å; M239-E243 PolarHBondContact O-N 3.49Å; E243-K247 VanDerWaalsContact O-CB 3.26Å; E243-K247 WeakPolarHBondContact O-CB 3.3Å; E243-K247 IonicContact OE2-NZ 2.72Å; E243-K247 PolarHBondContact OE2-NZ 3.29Å
244	V	94.7	Very high	95.7	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.012	32%	0.322	C	S	.	.	I	π-helix	trans	-114.6	-67.3	175.7	-175.1	0	0	0	0	109.6	T90 L94 F163 Y240 E246 K247 V250 V251	T90-V244 HydrophobicContact CG2-CG2 4.3Å; L94-V244 HydrophobicContact CD2-CG1 4.49Å; F163-V244 HydrophobicContact CD2-CG2 3.82Å; F163-V244 HydrophobicContact CE2-CG2 4.38Å; F163-V244 HydrophobicContact CG-CG2 4.29Å; Y240-V244 HydrophobicContact CD2-CB 3.75Å; Y240-V244 HydrophobicContact CD2-CG1 4.23Å; Y240-V244 HydrophobicContact CD2-CG2 3.52Å; Y240-V244 HydrophobicContact CE2-CB 3.71Å; Y240-V244 HydrophobicContact CE2-CG1 3.65Å; Y240-V244 HydrophobicContact CE2-CG2 3.71Å; Y240-V244 HydrophobicContact CG-CB 4.42Å; Y240-V244 HydrophobicContact CG-CG2 4.46Å; Y240-V244 WeakPolarHBondContact O-CA 3.41Å; Y240-V244 VanDerWaalsContact O-CB 3.25Å; Y240-V244 WeakPolarHBondContact O-CB 3.49Å; Y240-V244 PolarHBondContact O-N 3.38Å; V244-E246 PolarHBondContact O-N 3.14Å; V244-K247 PolarHBondContact O-N 3.16Å; V244-V250 HydrophobicContact CG1-CG1 3.8Å; V244-V251 VanDerWaalsContact O-CG1 3.3Å; V244-V251 WeakPolarHBondContact O-CG1 3.3Å
245	L	96.3	Very high	95.6	Very high	75 Å²	75	61 Å²	61	39%	0.393	31%	0.309	S	S	.	.	I	π-helix	trans	-70.4	-32	-168.1	-55.5	-177.8	0	0	0	114.2	L94 Y240 K241 V251	L94-L245 HydrophobicContact CD1-CD2 3.9Å; L94-L245 HydrophobicContact CD2-CD2 3.92Å; Y240-L245 HydrophobicContact CD1-CD1 4Å; Y240-L245 HydrophobicContact CD1-CG 4.04Å; Y240-L245 HydrophobicContact CE1-CD1 3.86Å; Y240-L245 HydrophobicContact CE1-CD2 3.77Å; Y240-L245 HydrophobicContact CE1-CG 3.79Å; Y240-L245 PolarHBondContact O-N 3.45Å; Y240-L245 VanDerWaalsContact O-N 3.11Å; K241-L245 CarbonylContact O-C 3.55Å; K241-L245 PolarHBondContact O-N 2.86Å; L245-V251 WeakPolarHBondContact O-CG1 3.43Å
246	E	95.7	Very high	95.5	Very high	127 Å²	127	61.8 Å²	61.8	59%	0.593	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	3.7	178	-67.4	178.2	167.1	0	0	112.5	K241 V244	K241-E246 WeakPolarHBondContact CE-OE1 3.4Å; K241-E246 HydrophobicContact CG-CG 4.27Å; K241-E246 IonicContact NZ-OE1 3.38Å; K241-E246 WeakPolarHBondContact O-CB 3.45Å; K241-E246 WeakPolarHBondContact O-CG 3.49Å; K241-E246 PolarHBondContact O-N 3.06Å; V244-E246 PolarHBondContact O-N 3.14Å
247	K	93.5	Very high	95.4	Very high	63 Å²	63	62.1 Å²	62.1	27%	0.274	31%	0.308	S	S	.	.			trans	-96.5	100.4	-176.4	-159.6	71.2	162	-135.7	0	110.3	E243 V244 V250 V251	E243-K247 VanDerWaalsContact O-CB 3.26Å; E243-K247 WeakPolarHBondContact O-CB 3.3Å; E243-K247 IonicContact OE2-NZ 2.72Å; E243-K247 PolarHBondContact OE2-NZ 3.29Å; V244-K247 PolarHBondContact O-N 3.16Å; K247-V250 HydrophobicContact CB-CB 4.21Å; K247-V250 HydrophobicContact CB-CG2 3.89Å; K247-V250 HydrophobicContact CG-CG2 3.86Å; K247-V250 WeakPolarHBondContact O-CA 3.46Å; K247-V250 WeakPolarHBondContact O-CB 3.27Å; K247-V250 PolarHBondContact O-N 3.09Å; K247-V251 PolarHBondContact O-N 3.15Å; K247-V251 VanDerWaalsContact O-N 3.13Å
248	F	94.3	Very high	95.1	Very high	107 Å²	107	61.8 Å²	61.8	47%	0.469	31%	0.313	S	S	.	.	H	α-helix	trans	-47.9	-47.7	-176.1	178.3	-91.2	0	0	0	114.2	V250 V251 Q252 S299	F248-V250 PolarHBondContact O-N 2.75Å; F248-V250 VanDerWaalsContact O-N 3.09Å; F248-V251 PolarHBondContact O-N 3.41Å; F248-Q252 HydrophobicContact CD1-CB 4.38Å; F248-Q252 HydrophobicContact CD2-CB 4.48Å; F248-Q252 HydrophobicContact CE1-CB 3.91Å; F248-Q252 HydrophobicContact CE2-CB 4.02Å; F248-Q252 HydrophobicContact CZ-CB 3.7Å; F248-Q252 VanDerWaalsContact O-CB 3.27Å; F248-Q252 WeakPolarHBondContact O-CB 3.32Å; F248-Q252 WeakPolarHBondContact O-CG 3.47Å; F248-Q252 PolarHBondContact O-N 3.32Å; F248-S299 WeakPolarHBondContact CZ-OG 3.35Å
249	P	92.7	Very high	95	Very high	82 Å²	82	55 Å²	55	53%	0.532	28%	0.284	S	S	.	.	H	α-helix	trans	-56.4	-28.3	178	-28.8	36	0	0	0	115.4	Q252	P249-Q252 PolarHBondContact O-NE2 2.81Å
250	V	92.6	Very high	95	Very high	24 Å²	24	54 Å²	54	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-83.2	-47.3	-179.9	-177.5	0	0	0	0	110.6	V244 K247 F248	V244-V250 HydrophobicContact CG1-CG1 3.8Å; K247-V250 HydrophobicContact CB-CB 4.21Å; K247-V250 HydrophobicContact CB-CG2 3.89Å; K247-V250 HydrophobicContact CG-CG2 3.86Å; K247-V250 WeakPolarHBondContact O-CA 3.46Å; K247-V250 WeakPolarHBondContact O-CB 3.27Å; K247-V250 PolarHBondContact O-N 3.09Å; F248-V250 PolarHBondContact O-N 2.75Å; F248-V250 VanDerWaalsContact O-N 3.09Å
251	V	94	Very high	94.8	Very high	37 Å²	37	55.5 Å²	55.5	22%	0.224	29%	0.294	C	S	.	.	H	α-helix	trans	-89.1	-11.5	-173.6	-61.8	0	0	0	0	115.1	L94 V244 L245 K247 F248 H253 F254	L94-V251 HydrophobicContact CD2-CG1 4.14Å; V244-V251 VanDerWaalsContact O-CG1 3.3Å; V244-V251 WeakPolarHBondContact O-CG1 3.3Å; L245-V251 WeakPolarHBondContact O-CG1 3.43Å; K247-V251 PolarHBondContact O-N 3.15Å; K247-V251 VanDerWaalsContact O-N 3.13Å; F248-V251 PolarHBondContact O-N 3.41Å; V251-H253 PolarHBondContact O-N 3.43Å; V251-F254 WeakPolarHBondContact O-CB 3.28Å; V251-F254 PolarHBondContact O-N 3.27Å
252	Q	94.6	Very high	94.6	Very high	67 Å²	67	57 Å²	57	31%	0.313	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.3	-179.7	64.3	178.9	-40.3	0	0	114	F248 P249	F248-Q252 HydrophobicContact CD1-CB 4.38Å; F248-Q252 HydrophobicContact CD2-CB 4.48Å; F248-Q252 HydrophobicContact CE1-CB 3.91Å; F248-Q252 HydrophobicContact CE2-CB 4.02Å; F248-Q252 HydrophobicContact CZ-CB 3.7Å; F248-Q252 VanDerWaalsContact O-CB 3.27Å; F248-Q252 WeakPolarHBondContact O-CB 3.32Å; F248-Q252 WeakPolarHBondContact O-CG 3.47Å; F248-Q252 PolarHBondContact O-N 3.32Å; P249-Q252 PolarHBondContact O-NE2 2.81Å
253	H	92.9	Very high	94.5	Very high	74 Å²	74	62 Å²	62	34%	0.343	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-1.9	178.2	-59.2	-45	0	0	0	113.2	V251 L255	V251-H253 PolarHBondContact O-N 3.43Å; H253-L255 PolarHBondContact O-N 3.03Å
254	F	96.3	Very high	94.2	Very high	37 Å²	37	67.5 Å²	67.5	16%	0.162	34%	0.344	C	S	.	.			trans	-63.8	131.9	177.5	-166.8	-90.8	0	0	0	110.1	L94 A98 V251 F256 L260	L94-F254 HydrophobicContact CD1-CE2 4.08Å; L94-F254 HydrophobicContact CD2-CD2 3.7Å; L94-F254 HydrophobicContact CD2-CE2 4.05Å; L94-F254 HydrophobicContact CG-CD2 3.73Å; L94-F254 HydrophobicContact CG-CE2 3.66Å; A98-F254 HydrophobicContact CB-CE2 3.75Å; A98-F254 HydrophobicContact CB-CZ 3.67Å; V251-F254 WeakPolarHBondContact O-CB 3.28Å; V251-F254 PolarHBondContact O-N 3.27Å; F254-F256 HydrophobicContact CD1-CD1 4.29Å; F254-F256 AromaticContact CD1-CE1 3.82Å; F254-F256 HydrophobicContact CD1-CE1 3.82Å; F254-F256 HydrophobicContact CD1-CE2 4.09Å; F254-F256 AromaticContact CD1-CZ 3.7Å; F254-F256 HydrophobicContact CD1-CZ 3.7Å; F254-F256 HydrophobicContact CE1-CD1 4.41Å; F254-F256 HydrophobicContact CE1-CE1 4.1Å; F254-F256 HydrophobicContact CE1-CZ 4.43Å; F254-F256 WeakPolarHBondContact O-CE2 3.42Å; F254-L260 HydrophobicContact CZ-CD1 4.25Å
255	L	96.1	Very high	93.7	Very high	9 Å²	9	73.2 Å²	73.2	5%	0.047	38%	0.379	C	S	.	.			trans	-84.7	143.7	-178.5	-58.8	-178	0	0	0	110.8	Y75 E78 H253 F294	Y75-L255 HydrophobicContact CD1-CB 4.29Å; Y75-L255 HydrophobicContact CE1-CB 3.79Å; Y75-L255 WeakPolarHBondContact CE1-O 3.16Å; Y75-L255 PolarHBondContact OH-O 2.68Å; E78-L255 HydrophobicContact CG-CD1 3.62Å; E78-L255 HydrophobicContact CG-CG 4.07Å; H253-L255 PolarHBondContact O-N 3.03Å; L255-F294 HydrophobicContact CB-CB 4.4Å; L255-F294 HydrophobicContact CB-CD1 3.5Å; L255-F294 VanDerWaalsContact CB-CD1 3.5Å; L255-F294 HydrophobicContact CB-CE1 3.82Å; L255-F294 HydrophobicContact CB-CG 4Å; L255-F294 HydrophobicContact CD1-CD1 3.93Å; L255-F294 HydrophobicContact CD1-CD2 3.89Å; L255-F294 HydrophobicContact CD1-CE1 3.88Å; L255-F294 HydrophobicContact CD1-CE2 3.89Å; L255-F294 HydrophobicContact CD1-CG 3.88Å; L255-F294 HydrophobicContact CD1-CZ 3.85Å; L255-F294 HydrophobicContact CD2-CB 4.01Å; L255-F294 HydrophobicContact CD2-CD1 4.5Å; L255-F294 HydrophobicContact CD2-CG 4.12Å; L255-F294 HydrophobicContact CG-CD1 4.18Å; L255-F294 HydrophobicContact CG-CE1 4.48Å; L255-F294 HydrophobicContact CG-CG 4.23Å
256	F	96.7	Very high	92.9	Very high	50 Å²	50	77 Å²	77	22%	0.219	39%	0.394	C	S	.	.			trans	-122.9	129.4	172.9	-61.3	-84.2	0	0	0	109.4	F254 L260 F262 P297	F254-F256 HydrophobicContact CD1-CD1 4.29Å; F254-F256 AromaticContact CD1-CE1 3.82Å; F254-F256 HydrophobicContact CD1-CE1 3.82Å; F254-F256 HydrophobicContact CD1-CE2 4.09Å; F254-F256 AromaticContact CD1-CZ 3.7Å; F254-F256 HydrophobicContact CD1-CZ 3.7Å; F254-F256 HydrophobicContact CE1-CD1 4.41Å; F254-F256 HydrophobicContact CE1-CE1 4.1Å; F254-F256 HydrophobicContact CE1-CZ 4.43Å; F254-F256 WeakPolarHBondContact O-CE2 3.42Å; F256-L260 WeakPolarHBondContact CA-O 3.43Å; F256-F262 HydrophobicContact CB-CB 4.11Å; F256-F262 HydrophobicContact CD1-CB 3.94Å; F256-F262 AromaticContact CD1-CD2 3.86Å; F256-F262 HydrophobicContact CD1-CD2 3.86Å; F256-F262 HydrophobicContact CD1-CG 4.42Å; F256-F262 AromaticContact CD2-CD2 3.87Å; F256-F262 HydrophobicContact CD2-CD2 3.87Å; F256-F262 AromaticContact CE1-CD2 3.69Å; F256-F262 HydrophobicContact CE1-CD2 3.69Å; F256-F262 HydrophobicContact CE1-CE2 4.47Å; F256-F262 AromaticContact CE2-CD2 3.71Å; F256-F262 HydrophobicContact CE2-CD2 3.71Å; F256-F262 HydrophobicContact CE2-CE2 4.13Å; F256-F262 HydrophobicContact CG-CB 3.94Å; F256-F262 AromaticContact CG-CD2 3.94Å; F256-F262 HydrophobicContact CG-CD2 3.94Å; F256-F262 HydrophobicContact CG-CG 4.43Å; F256-F262 AromaticContact CZ-CD2 3.61Å; F256-F262 HydrophobicContact CZ-CD2 3.61Å; F256-F262 HydrophobicContact CZ-CE2 4.03Å; F256-P297 HydrophobicContact CD2-CG 4.45Å; F256-P297 HydrophobicContact CE2-CG 4.03Å
257	G	94.3	Very high	91.1	Very high	13 Å²	13	77.9 Å²	77.9	13%	0.134	40%	0.403	C	S	.	.			trans	-134.3	-154.2	179.1	0	0	0	0	0	111.1	E71 L260 S261	E71-G257 VanDerWaalsContact OE1-CA 3.3Å; E71-G257 WeakPolarHBondContact OE1-CA 3.13Å; G257-L260 PolarHBondContact N-O 3.32Å; G257-L260 VanDerWaalsContact N-O 3.14Å; G257-L260 CarbonylContact O-C 3.37Å; G257-S261 WeakPolarHBondContact O-CA 3.33Å; G257-S261 PolarHBondContact O-N 3.25Å
258	S	93.8	Very high	89.1	Confident	79 Å²	79	80.9 Å²	80.9	55%	0.552	42%	0.422	S	S	*	.	S	Bend	trans	-80.2	-32.5	-179.3	69.9	0	0	0	0	113.2	I63 E71	I63-S258 WeakPolarHBondContact CD1-OG 3.36Å; E71-S258 VanDerWaalsContact CD-N 3.3Å; E71-S258 PolarHBondContact OE1-N 3.09Å; E71-S258 VanDerWaalsContact OE1-N 3.13Å; E71-S258 WeakPolarHBondContact OE2-CA 3.45Å; E71-S258 WeakPolarHBondContact OE2-CB 3.37Å; E71-S258 PolarHBondContact OE2-N 3.06Å; E71-S258 PolarHBondContact OE2-OG 3.21Å
259	L	95.9	Very high	86.5	Confident	7 Å²	7	85 Å²	85	4%	0.037	44%	0.44	C	S	.	.	S	Bend	trans	-77.4	-38.5	179	-62.5	172.8	0	0	0	111.1	P61 I63 E71 V72 C102 K105 L106	P61-L259 HydrophobicContact CG-CD2 3.53Å; I63-L259 HydrophobicContact CD1-CD2 4.27Å; I63-L259 HydrophobicContact CD1-CG 4.16Å; I63-L259 HydrophobicContact CG2-CD2 4.43Å; E71-L259 HydrophobicContact CG-CD1 4.31Å; E71-L259 WeakPolarHBondContact OE1-CB 3.38Å; E71-L259 PolarHBondContact OE1-N 3.12Å; E71-L259 PolarHBondContact OE2-N 3.27Å; V72-L259 HydrophobicContact CG2-CD1 4.29Å; C102-L259 HydrophobicContact CB-CD1 3.85Å; K105-L259 HydrophobicContact CD-CB 4.32Å; K105-L259 VanDerWaalsContact CD-O 3.26Å; K105-L259 WeakPolarHBondContact CD-O 3.33Å; K105-L259 WeakPolarHBondContact CE-O 3.22Å; K105-L259 PolarHBondContact NZ-O 3.21Å; L106-L259 HydrophobicContact CD1-CD1 3.9Å; L106-L259 HydrophobicContact CD2-CD1 4.12Å; L106-L259 HydrophobicContact CD2-CD2 3.82Å; L106-L259 HydrophobicContact CG-CD1 3.96Å; L106-L259 HydrophobicContact CG-CD2 4.2Å
260	L	96	Very high	83.8	Confident	31 Å²	31	86.4 Å²	86.4	16%	0.162	45%	0.449	C	S	.	.	S	Bend	trans	-120.2	76.2	174.4	-60	172.1	0	0	0	109.4	E71 Y75 A98 T101 K105 F254 F256 G257	E71-L260 PolarHBondContact OE1-N 2.84Å; Y75-L260 HydrophobicContact CE1-CD1 4.02Å; Y75-L260 HydrophobicContact CE2-CD1 4.23Å; A98-L260 HydrophobicContact CB-CD1 3.62Å; T101-L260 HydrophobicContact CG2-CD2 4.07Å; K105-L260 HydrophobicContact CD-CD2 4.12Å; F254-L260 HydrophobicContact CZ-CD1 4.25Å; F256-L260 WeakPolarHBondContact CA-O 3.43Å; G257-L260 PolarHBondContact N-O 3.32Å; G257-L260 VanDerWaalsContact N-O 3.14Å; G257-L260 CarbonylContact O-C 3.37Å
261	S	94.4	Very high	81.3	Confident	56 Å²	56	93.6 Å²	93.6	39%	0.392	49%	0.486	S	S	.	.			trans	-74	147.7	-178.5	179.8	0	0	0	0	112.8	G257 D263	G257-S261 WeakPolarHBondContact O-CA 3.33Å; G257-S261 PolarHBondContact O-N 3.25Å; S261-D263 VanDerWaalsContact OG-CB 3.29Å; S261-D263 WeakPolarHBondContact OG-CB 3.22Å; S261-D263 VanDerWaalsContact OG-CG 3.24Å; S261-D263 PolarHBondContact OG-N 2.97Å; S261-D263 PolarHBondContact OG-OD2 2.98Å
262	F	92.6	Very high	78.3	Confident	149 Å²	149	95.5 Å²	95.5	65%	0.654	51%	0.512	S	S	*	.			trans	-76.4	-14	168.2	-164.2	-97.8	0	0	0	112.4	F256	F256-F262 HydrophobicContact CB-CB 4.11Å; F256-F262 HydrophobicContact CD1-CB 3.94Å; F256-F262 AromaticContact CD1-CD2 3.86Å; F256-F262 HydrophobicContact CD1-CD2 3.86Å; F256-F262 HydrophobicContact CD1-CG 4.42Å; F256-F262 AromaticContact CD2-CD2 3.87Å; F256-F262 HydrophobicContact CD2-CD2 3.87Å; F256-F262 AromaticContact CE1-CD2 3.69Å; F256-F262 HydrophobicContact CE1-CD2 3.69Å; F256-F262 HydrophobicContact CE1-CE2 4.47Å; F256-F262 AromaticContact CE2-CD2 3.71Å; F256-F262 HydrophobicContact CE2-CD2 3.71Å; F256-F262 HydrophobicContact CE2-CE2 4.13Å; F256-F262 HydrophobicContact CG-CB 3.94Å; F256-F262 AromaticContact CG-CD2 3.94Å; F256-F262 HydrophobicContact CG-CD2 3.94Å; F256-F262 HydrophobicContact CG-CG 4.43Å; F256-F262 AromaticContact CZ-CD2 3.61Å; F256-F262 HydrophobicContact CZ-CD2 3.61Å; F256-F262 HydrophobicContact CZ-CE2 4.03Å
263	D	91.9	Very high	75.5	Confident	132 Å²	132	100.3 Å²	100.3	71%	0.706	54%	0.538	S	S	*	.	S	Bend	trans	-60.4	140	-179.9	-66.5	-41.9	0	0	0	111.3	S261 V265	S261-D263 VanDerWaalsContact OG-CB 3.29Å; S261-D263 WeakPolarHBondContact OG-CB 3.22Å; S261-D263 VanDerWaalsContact OG-CG 3.24Å; S261-D263 PolarHBondContact OG-N 2.97Å; S261-D263 PolarHBondContact OG-OD2 2.98Å; D263-V265 PolarHBondContact O-N 2.89Å
264	K	89.4	Confident	72.6	Confident	196 Å²	196	99.9 Å²	99.9	85%	0.852	55%	0.554	S	S	*	*			trans	-59.5	129.5	174.1	-69.2	-177.1	-180	177.8	0	109.3	Q266	K264-Q266 PolarHBondContact O-N 3.46Å
265	V	84	Confident	69.7	Low	123 Å²	123	106.4 Å²	106.4	75%	0.745	59%	0.589	S	S	*	*			trans	-55.7	111.7	171.5	-179.4	0	0	0	0	108.6	D263 N267	D263-V265 PolarHBondContact O-N 2.89Å; V265-N267 PolarHBondContact O-N 3.46Å; V265-N267 VanDerWaalsContact O-N 3.14Å
266	Q	79.7	Confident	66.6	Low	154 Å²	154	113.2 Å²	113.2	72%	0.72	63%	0.626	S	S	*	*			trans	-75	100.9	169.6	-62.1	-171.9	13.7	0	0	107.3	K264 N268	K264-Q266 PolarHBondContact O-N 3.46Å; Q266-N268 PolarHBondContact O-N 3.43Å; Q266-N268 PolarHBondContact OE1-ND2 3.39Å
267	N	56.9	Low	63.7	Low	146 Å²	146	117.8 Å²	117.8	78%	0.781	66%	0.657	S	S	*	*			trans	-70.3	71	172.1	-79.3	-21.6	0	0	0	109.9	V265 K269	V265-N267 PolarHBondContact O-N 3.46Å; V265-N267 VanDerWaalsContact O-N 3.14Å; N267-K269 VanDerWaalsContact C-N 3.32Å
268	N	51.6	Low	60.7	Low	125 Å²	125	120.7 Å²	120.7	67%	0.668	69%	0.688	S	S	*	*			trans	-93.2	19.7	178.2	-73.2	-9.4	0	0	0	112.8	Q266 P270	Q266-N268 PolarHBondContact O-N 3.43Å; Q266-N268 PolarHBondContact OE1-ND2 3.39Å; N268-P270 WeakPolarHBondContact O-CD 3.42Å
269	K	39.5	Very low	57.8	Low	194 Å²	194	121 Å²	121	84%	0.843	70%	0.702	S	S	*	*			trans	-96.2	107.5	162.5	-83	-174.2	177.6	177.7	0	108.7	N267 L271	N267-K269 VanDerWaalsContact C-N 3.32Å; K269-L271 PolarHBondContact O-N 2.97Å
270	P	37.4	Very low	54.7	Low	112 Å²	112	124.4 Å²	124.4	73%	0.727	74%	0.74	S	S	*	*			trans	-59.3	137.9	162.4	-10.9	25.5	0	0	0	107.7	N268 G272	N268-P270 WeakPolarHBondContact O-CD 3.42Å; P270-G272 PolarHBondContact O-N 3.12Å
271	L	39	Very low	51.5	Low	175 Å²	175	133 Å²	133	92%	0.916	78%	0.776	S	S	*	*			trans	-51.8	114.8	157.1	-101.6	79.7	0	0	0	106.4	K269 I273	K269-L271 PolarHBondContact O-N 2.97Å; L271-I273 PolarHBondContact O-N 3.15Å
272	G	32	Very low	48.7	Very low	76 Å²	76	136.2 Å²	136.2	78%	0.784	80%	0.799	S	S	*	*	S	Bend	trans	-58.2	107	-166.4	0	0	0	0	0	113.1	P270	P270-G272 PolarHBondContact O-N 3.12Å
273	I	35.8	Very low	45.9	Very low	168 Å²	168	137.9 Å²	137.9	86%	0.862	81%	0.809	S	S	*	*			trans	-141.1	105.2	149.8	-58.4	-178.6	0	0	0	107.1	L271	L271-I273 PolarHBondContact O-N 3.15Å
274	G	32.2	Very low	43.2	Very low	66 Å²	66	141.7 Å²	141.7	68%	0.68	81%	0.813	S	S	*	*	S	Bend	trans	81.6	114	144.5	0	0	0	0	0	120
275	I	35	Very low	40.6	Very low	174 Å²	174	135.9 Å²	135.9	89%	0.892	81%	0.809	S	S	*	*			trans	85	123	141.4	-49.1	175.3	0	0	0	117.3
276	N	30	Very low	38.2	Very low	152 Å²	152	135.7 Å²	135.7	81%	0.813	81%	0.813	S	S	*	*			trans	-95.5	133.1	-171.6	-160.4	12.3	0	0	0	110.4
277	V	37.2	Very low	36.2	Very low	145 Å²	145	135.5 Å²	135.5	88%	0.879	82%	0.815	S	S	*	*			trans	-152.3	122.9	154.5	-166.1	0	0	0	0	108.5
278	G	30.3	Very low	35	Very low	75 Å²	75	133.4 Å²	133.4	77%	0.773	81%	0.81	S	S	*	*			trans	-87.7	-168.9	-164	0	0	0	0	0	118.2
279	G	32.9	Very low	34.2	Very low	84 Å²	84	133.1 Å²	133.1	87%	0.866	82%	0.817	S	S	*	*			trans	146.3	118.4	165.2	0	0	0	0	0	114.8
280	G	31.1	Very low	34	Very low	80 Å²	80	131.7 Å²	131.7	83%	0.825	82%	0.819	S	S	*	*			trans	102.4	109	136.2	0	0	0	0	0	120
281	F	29.7	Very low	34.1	Very low	211 Å²	211	131.7 Å²	131.7	93%	0.925	82%	0.817	S	S	*	*			trans	-26.2	144.1	158.1	-80	-103.1	0	0	0	118.2
282	S	33.9	Very low	34.4	Very low	124 Å²	124	129.4 Å²	129.4	87%	0.867	81%	0.805	S	S	*	*			trans	-155	147.2	131.8	-150.8	0	0	0	0	113.1
283	Q	35.6	Very low	35.5	Very low	183 Å²	183	129 Å²	129	86%	0.855	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-74.6	139.7	-164.9	-65.3	170.1	-22.4	0	0	113.4
284	R	34.3	Very low	36.3	Very low	213 Å²	213	122.3 Å²	122.3	80%	0.804	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-81.6	121.7	162	-93.5	-174.8	-179.1	-171.5	-0.9	109
285	G	34	Very low	37	Very low	73 Å²	73	124.6 Å²	124.6	75%	0.753	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-74.3	131.5	164.7	0	0	0	0	0	110.1
286	S	35.2	Very low	37.5	Very low	120 Å²	120	122.4 Å²	122.4	84%	0.839	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-71.8	129.7	170	37.5	0	0	0	0	110.3
287	I	35.9	Very low	37.9	Very low	150 Å²	150	117.9 Å²	117.9	77%	0.769	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-88.6	133.1	170.8	-60.5	178	0	0	0	108
288	P	32.6	Very low	38	Very low	102 Å²	102	118.7 Å²	118.7	66%	0.662	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-63	139	-179.7	-18.8	30.7	0	0	0	112.9	N290	P288-N290 PolarHBondContact O-N 2.97Å
289	S	34.1	Very low	38.3	Very low	119 Å²	119	118.1 Å²	118.1	83%	0.832	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	42.7	-170.3	60.8	0	0	0	0	116
290	N	35.6	Very low	38.3	Very low	164 Å²	164	119.8 Å²	119.8	88%	0.877	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.1	29.1	177.8	-99.3	-16.8	0	0	0	113.7	P288	P288-N290 PolarHBondContact O-N 2.97Å
291	V	39	Very low	38.5	Very low	112 Å²	112	122.2 Å²	122.2	68%	0.679	69%	0.694	S	S	*	*	S	Bend	trans	-123.5	130.4	177.5	-172.8	0	0	0	0	108.2
292	D	46.7	Very low	38.7	Very low	126 Å²	126	119.2 Å²	119.2	67%	0.674	69%	0.686	S	S	*	*			trans	-37.4	120.6	174.8	-151.4	-16	0	0	0	109.8	F294	D292-F294 PolarHBondContact O-N 2.76Å
293	P	54	Low	38.6	Very low	69 Å²	69	122 Å²	122	45%	0.448	69%	0.685	S	S	.	*	S	Bend	trans	-66.6	-0.7	-170.9	24.1	-32.5	0	0	0	113.8
294	F	52.2	Low	38.5	Very low	26 Å²	26	121.6 Å²	121.6	11%	0.114	68%	0.683	C	S	.	*			trans	-117.3	133.6	-177.4	-57.4	-70.8	0	0	0	112.5	E71 Y75 L255 D292	E71-F294 HydrophobicContact CG-CE1 4.11Å; E71-F294 HydrophobicContact CG-CZ 4.37Å; E71-F294 WeakPolarHBondContact O-CZ 3.35Å; Y75-F294 HydrophobicContact CE1-CE1 4.5Å; Y75-F294 HydrophobicContact CE2-CE1 4.13Å; Y75-F294 AromaticContact CZ-CE1 4Å; L255-F294 HydrophobicContact CB-CB 4.4Å; L255-F294 HydrophobicContact CB-CD1 3.5Å; L255-F294 VanDerWaalsContact CB-CD1 3.5Å; L255-F294 HydrophobicContact CB-CE1 3.82Å; L255-F294 HydrophobicContact CB-CG 4Å; L255-F294 HydrophobicContact CD1-CD1 3.93Å; L255-F294 HydrophobicContact CD1-CD2 3.89Å; L255-F294 HydrophobicContact CD1-CE1 3.88Å; L255-F294 HydrophobicContact CD1-CE2 3.89Å; L255-F294 HydrophobicContact CD1-CG 3.88Å; L255-F294 HydrophobicContact CD1-CZ 3.85Å; L255-F294 HydrophobicContact CD2-CB 4.01Å; L255-F294 HydrophobicContact CD2-CD1 4.5Å; L255-F294 HydrophobicContact CD2-CG 4.12Å; L255-F294 HydrophobicContact CG-CD1 4.18Å; L255-F294 HydrophobicContact CG-CE1 4.48Å; L255-F294 HydrophobicContact CG-CG 4.23Å; D292-F294 PolarHBondContact O-N 2.76Å
295	V	48.8	Very low	38.5	Very low	115 Å²	115	116.8 Å²	116.8	70%	0.697	68%	0.682	S	S	*	*			trans	-96	112.8	166.3	-177.9	0	0	0	0	108
296	K	44.7	Very low	38.4	Very low	127 Å²	127	120.9 Å²	120.9	55%	0.552	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-74	138.3	168.6	-71.5	-175.5	179	179.3	0	109.8	I298	K296-I298 PolarHBondContact O-N 2.97Å
297	P	38.8	Very low	38.4	Very low	58 Å²	58	123.7 Å²	123.7	38%	0.377	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-61.4	125.6	173.2	-18.2	29.3	0	0	0	111.1	F256	F256-P297 HydrophobicContact CD2-CG 4.45Å; F256-P297 HydrophobicContact CE2-CG 4.03Å
298	I	39.7	Very low	38.7	Very low	161 Å²	161	126.2 Å²	126.2	83%	0.826	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-90	120.2	170.4	-58.5	173.2	0	0	0	107.7	K296	K296-I298 PolarHBondContact O-N 2.97Å
299	S	34.9	Very low	38.9	Very low	63 Å²	63	124.9 Å²	124.9	44%	0.441	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-64	133.3	168.8	-82.9	0	0	0	0	110.4	F248 T301	F248-S299 WeakPolarHBondContact CZ-OG 3.35Å; S299-T301 PolarHBondContact O-N 2.55Å; S299-T301 VanDerWaalsContact O-N 3.08Å
300	P	34	Very low	38.9	Very low	120 Å²	120	128 Å²	128	78%	0.779	70%	0.701	S	S	*	*			trans	-66.5	112.4	169.2	26.7	-30.5	0	0	0	108.8	I302	P300-I302 PolarHBondContact O-N 3.4Å
301	T	35.1	Very low	39	Very low	130 Å²	130	129.5 Å²	129.5	80%	0.798	70%	0.7	S	S	*	*			trans	-63.8	115.4	167.6	-41.9	0	0	0	0	107.7	S299 Q303	S299-T301 PolarHBondContact O-N 2.55Å; S299-T301 VanDerWaalsContact O-N 3.08Å; T301-Q303 PolarHBondContact O-N 2.93Å
302	I	33.4	Very low	39.5	Very low	148 Å²	148	133.6 Å²	133.6	76%	0.759	73%	0.733	S	S	*	*			trans	-67.7	99.8	169.3	-61.9	175	0	0	0	106.9	P300 Q304	P300-I302 PolarHBondContact O-N 3.4Å; I302-Q304 HydrophobicContact CG2-CG 4.05Å; I302-Q304 PolarHBondContact O-N 3.1Å
303	Q	32.3	Very low	39.2	Very low	184 Å²	184	134 Å²	134	86%	0.86	74%	0.736	S	S	*	*			trans	-74	101	159	-85.6	179.5	-23.2	0	0	107.6	T301 S305	T301-Q303 PolarHBondContact O-N 2.93Å; Q303-S305 PolarHBondContact O-N 3.04Å
304	Q	33.2	Very low	38.4	Very low	173 Å²	173	137.4 Å²	137.4	81%	0.808	75%	0.752	S	S	*	*			trans	-74.6	105.7	159.9	-80.5	-176.9	-7.5	0	0	107.6	I302 N306	I302-Q304 HydrophobicContact CG2-CG 4.05Å; I302-Q304 PolarHBondContact O-N 3.1Å; Q304-N306 PolarHBondContact O-N 3.29Å
305	S	34.2	Very low	37.6	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	79%	0.787	S	S	*	*			trans	-72.4	111.9	167.6	51.7	0	0	0	0	109.4	Q303 E307	Q303-S305 PolarHBondContact O-N 3.04Å; S305-E307 PolarHBondContact O-N 2.92Å
306	N	32.4	Very low	37	Very low	159 Å²	159	145.2 Å²	145.2	85%	0.85	79%	0.792	S	S	*	*			trans	-76.2	96.5	165	-85.9	-19.4	0	0	0	109.5	Q304	Q304-N306 PolarHBondContact O-N 3.29Å
307	E	35.4	Very low	36.5	Very low	179 Å²	179	146.4 Å²	146.4	84%	0.836	81%	0.807	S	S	*	*			trans	-150.1	83.7	160.8	-75.9	-165.4	164.2	0	0	111	S305	S305-E307 PolarHBondContact O-N 2.92Å
308	H	41.5	Very low	36.4	Very low	204 Å²	204	152.3 Å²	152.3	94%	0.944	84%	0.836	S	S	*	*			trans	-133.1	106.5	148.6	-83.3	0.6	0	0	0	103.6
309	G	36.6	Very low	36.1	Very low	74 Å²	74	151.6 Å²	151.6	76%	0.763	84%	0.837	S	S	*	*				108.6	81.4	56.9	0	0	0	0	0	106.3	K311	G309-K311 PolarHBondContact O-N 3.48Å
310	E	33.4	Very low	36.2	Very low	185 Å²	185	158.5 Å²	158.5	86%	0.864	87%	0.867	S	S	*	*			trans	-54.3	131.8	167.9	-73.2	177.2	139.4	0	0	110
311	K	39.1	Very low	36.4	Very low	194 Å²	194	161.7 Å²	161.7	84%	0.843	88%	0.875	S	S	*	*				174.2	135.9	123.9	-93.1	163.1	-174.2	-178.3	0	111.1	G309	G309-K311 PolarHBondContact O-N 3.48Å
312	S	50	Low	36.5	Very low	198 Å²	198	164.5 Å²	164.5	100%	1.385	88%	0.882	S	S	*	*			trans	66.6	0	173.7	55.9	0	0	0	0	118.4

Retrieved 312 of 312 residues in 219 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).