A0A096NMS2_PAPAN Loading...

Mannose-6-phosphate isomerase

Isomerase that catalyzes the interconversion of fructose-6-P and mannose-6-P and has a critical role in the supply of D-mannose derivatives required for many eukaryotic glycosylation reactions.

AlphaFold DB , UniProt , Accession A0A096NMS2, Species PAPAN (Papio anubis, Olive baboon), Gene MPI, Length 425 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	77.3	Confident	238 Å²	238	73.2 Å²	73.2	100%	1.172	42%	0.424	S	S	*	.				0	114.2	0	-76.7	172.4	168.6	0	0	106.7	M3	M1-M3 PolarHBondContact O-N 3.48Å
2	S	43.3	Very low	78.8	Confident	123 Å²	123	71.1 Å²	71.1	86%	0.86	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-61	120.9	170	-177.6	0	0	0	0	107	A4	S2-A4 PolarHBondContact O-N 3.01Å
3	M	59	Low	80.1	Confident	180 Å²	180	66.9 Å²	66.9	89%	0.887	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-59.5	133.9	166.3	-71.7	-171.6	-164.3	0	0	107.1	M1	M1-M3 PolarHBondContact O-N 3.48Å
4	A	69.3	Low	81.2	Confident	89 Å²	89	64.1 Å²	64.1	74%	0.736	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-58.9	141	172.2	0	0	0	0	0	108.9	S2	S2-A4 PolarHBondContact O-N 3.01Å
5	A	77.3	Confident	82.2	Confident	42 Å²	42	62.3 Å²	62.3	35%	0.347	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-58.2	138.4	177.7	0	0	0	0	0	110	R7 W76	A5-R7 PolarHBondContact O-N 2.96Å; A5-W76 HydrophobicContact CB-CZ2 4.28Å
6	P	87.9	Confident	83.2	Confident	28 Å²	28	60.3 Å²	60.3	18%	0.182	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-55.9	130.9	174.7	-20.7	30.2	0	0	0	110.3	F9 R67 I68 W76	P6-F9 WeakPolarHBondContact O-CD1 3.29Å; P6-F9 VanDerWaalsContact O-CE1 3.29Å; P6-F9 WeakPolarHBondContact O-CE1 3.25Å; P6-R67 HydrophobicContact CG-CB 4.11Å; P6-I68 HydrophobicContact CB-CD1 4.25Å; P6-I68 HydrophobicContact CG-CD1 4.38Å; P6-I68 HydrophobicContact CG-CG1 4.12Å; P6-W76 VanDerWaalsContact O-CZ2 3.26Å; P6-W76 WeakPolarHBondContact O-CZ2 3.45Å
7	R	92.4	Very high	84	Confident	69 Å²	69	61.9 Å²	61.9	26%	0.26	36%	0.359	S	S	.	.	S	Bend	trans	-101.7	-1.8	179.4	-65.8	-172.4	174	-154.9	-6.1	113.8	A5 D82 G401 E404	A5-R7 PolarHBondContact O-N 2.96Å; R7-D82 IonicContact CZ-OD2 3.66Å; R7-D82 IonicContact NH1-OD2 3.9Å; R7-D82 IonicContact NH2-OD1 3.54Å; R7-D82 IonicContact NH2-OD2 3.56Å; R7-D82 PolarHBondContact NH2-OD2 3.45Å; R7-G401 PolarHBondContact O-N 3Å; R7-E404 HydrophobicContact CB-CG 3.78Å
8	V	95.5	Very high	84.7	Confident	2 Å²	2	62 Å²	62	1%	0.012	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	118.6	175.8	-177.5	0	0	0	0	108.7	R67 T383 I390 L398 F399 I400 E404 V406	V8-R67 PolarHBondContact O-NH2 3.24Å; V8-T383 HydrophobicContact CB-CG2 3.68Å; V8-T383 HydrophobicContact CG1-CG2 3.74Å; V8-T383 HydrophobicContact CG2-CG2 3.76Å; V8-I390 HydrophobicContact CG1-CD1 4.42Å; V8-L398 HydrophobicContact CG1-CD1 3.97Å; V8-L398 HydrophobicContact CG1-CD2 3.53Å; V8-L398 HydrophobicContact CG1-CG 3.8Å; V8-F399 WeakPolarHBondContact CA-O 3.47Å; V8-I400 HydrophobicContact CG1-CG1 4.36Å; V8-I400 HydrophobicContact CG2-CG2 4.15Å; V8-E404 HydrophobicContact CG2-CB 3.69Å; V8-E404 HydrophobicContact CG2-CG 3.9Å; V8-V406 HydrophobicContact CG1-CG2 4.03Å; V8-V406 HydrophobicContact CG2-CG2 4.44Å
9	F	95.3	Very high	85.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	150.8	-173.7	47.1	-97.6	0	0	0	111.9	P6 L11 I63 D65 I68 L73 W76 L398 F399	P6-F9 WeakPolarHBondContact O-CD1 3.29Å; P6-F9 VanDerWaalsContact O-CE1 3.29Å; P6-F9 WeakPolarHBondContact O-CE1 3.25Å; F9-L11 HydrophobicContact CD2-CD2 4.12Å; F9-L11 HydrophobicContact CE2-CD2 3.96Å; F9-I63 HydrophobicContact CD2-CB 4.48Å; F9-I63 HydrophobicContact CD2-CD1 4.37Å; F9-I63 HydrophobicContact CD2-CG1 4.14Å; F9-I63 HydrophobicContact CD2-CG2 3.76Å; F9-I63 HydrophobicContact CE2-CD1 3.72Å; F9-I63 HydrophobicContact CE2-CG1 3.73Å; F9-I63 HydrophobicContact CE2-CG2 4.18Å; F9-I63 HydrophobicContact CG-CG2 4.3Å; F9-I63 HydrophobicContact CZ-CD1 4.03Å; F9-D65 HydrophobicContact CB-CB 4.02Å; F9-D65 WeakPolarHBondContact CB-OD2 3.29Å; F9-I68 HydrophobicContact CB-CD1 4.11Å; F9-I68 HydrophobicContact CD1-CD1 3.35Å; F9-I68 HydrophobicContact CD2-CD1 4.24Å; F9-I68 HydrophobicContact CE1-CD1 3.7Å; F9-I68 HydrophobicContact CG-CD1 3.64Å; F9-I68 HydrophobicContact CZ-CD1 4.28Å; F9-L73 HydrophobicContact CE2-CD1 4.08Å; F9-L73 HydrophobicContact CZ-CD1 4.22Å; F9-W76 HydrophobicContact CE1-CD2 4.18Å; F9-W76 AromaticContact CE1-CE2 3.89Å; F9-W76 HydrophobicContact CE1-CE3 4.28Å; F9-W76 AromaticContact CE1-CH2 3.9Å; F9-W76 HydrophobicContact CE1-CH2 3.9Å; F9-W76 AromaticContact CE1-CZ2 3.76Å; F9-W76 HydrophobicContact CE1-CZ2 3.76Å; F9-W76 HydrophobicContact CE1-CZ3 4.15Å; F9-W76 AromaticContact CZ-CD2 3.87Å; F9-W76 HydrophobicContact CZ-CD2 3.87Å; F9-W76 AromaticContact CZ-CE3 3.84Å; F9-W76 HydrophobicContact CZ-CE3 3.84Å; F9-W76 HydrophobicContact CZ-CG 4.47Å; F9-W76 HydrophobicContact CZ-CH2 4.26Å; F9-W76 HydrophobicContact CZ-CZ2 4.27Å; F9-W76 HydrophobicContact CZ-CZ3 4.04Å; F9-L398 VanDerWaalsContact C-CD1 3.45Å; F9-L398 WeakPolarHBondContact O-CD1 3.37Å; F9-F399 HydrophobicContact CD1-CD1 4.43Å; F9-F399 HydrophobicContact CD2-CB 4.09Å; F9-F399 AromaticContact CE1-CD1 3.66Å; F9-F399 HydrophobicContact CE1-CD1 3.66Å; F9-F399 HydrophobicContact CE1-CE1 4.21Å; F9-F399 HydrophobicContact CE2-CB 3.74Å; F9-F399 AromaticContact CE2-CD1 3.85Å; F9-F399 HydrophobicContact CE2-CD1 3.85Å; F9-F399 HydrophobicContact CE2-CG 4.03Å; F9-F399 HydrophobicContact CZ-CB 4.15Å; F9-F399 AromaticContact CZ-CD1 3.33Å; F9-F399 HydrophobicContact CZ-CD1 3.33Å; F9-F399 AromaticContact CZ-CE1 3.96Å; F9-F399 HydrophobicContact CZ-CE1 3.96Å; F9-F399 AromaticContact CZ-CG 3.96Å; F9-F399 HydrophobicContact CZ-CG 3.96Å; F9-F399 PolarHBondContact N-O 2.98Å; F9-F399 PolarHBondContact O-N 3.15Å
10	P	95.8	Very high	85.9	Confident	21 Å²	21	62.5 Å²	62.5	14%	0.136	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	151.6	178.9	31	-37.8	0	0	0	112.4	F64 I390 V397	P10-F64 HydrophobicContact CB-CB 4.45Å; P10-F64 HydrophobicContact CG-CB 4.31Å; P10-F64 VanDerWaalsContact CG-O 3.23Å; P10-F64 WeakPolarHBondContact CG-O 3.43Å; P10-F64 PolarHBondContact O-N 3.49Å; P10-I390 HydrophobicContact CB-CG2 4.46Å; P10-I390 HydrophobicContact CG-CG2 4.35Å; P10-V397 CarbonylContact C-O 3.54Å; P10-V397 VanDerWaalsContact CA-O 3.28Å; P10-V397 WeakPolarHBondContact CA-O 3.26Å
11	L	96.7	Very high	86.5	Confident	13 Å²	13	59.6 Å²	59.6	7%	0.068	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145	176.9	-61	178.9	0	0	0	111.2	F9 A61 K62 I63 L73 V397 F399	F9-L11 HydrophobicContact CD2-CD2 4.12Å; F9-L11 HydrophobicContact CE2-CD2 3.96Å; L11-A61 HydrophobicContact CB-CB 4.35Å; L11-A61 HydrophobicContact CD1-CB 4.11Å; L11-A61 HydrophobicContact CD2-CB 4.4Å; L11-K62 CarbonylContact C-O 3.49Å; L11-K62 WeakPolarHBondContact CA-O 3.47Å; L11-I63 HydrophobicContact CD2-CG1 4.36Å; L11-L73 HydrophobicContact CD1-CD2 3.97Å; L11-L73 HydrophobicContact CD2-CB 4.44Å; L11-L73 HydrophobicContact CD2-CD1 4.34Å; L11-V397 HydrophobicContact CB-CB 4.23Å; L11-V397 HydrophobicContact CB-CG1 4.12Å; L11-V397 HydrophobicContact CD1-CG1 4.05Å; L11-V397 HydrophobicContact CG-CG1 4.49Å; L11-V397 PolarHBondContact N-O 3.03Å; L11-F399 HydrophobicContact CD1-CB 4.11Å; L11-F399 HydrophobicContact CD2-CB 4.22Å; L11-F399 HydrophobicContact CG-CB 4.17Å
12	S	95.1	Very high	89.4	Confident	48 Å²	48	49.5 Å²	49.5	34%	0.336	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.9	162.9	176.5	0	0	0	0	108.4	K62	S12-K62 PolarHBondContact N-O 2.99Å; S12-K62 PolarHBondContact O-N 3.13Å
13	C	96	Very high	92	Very high	17 Å²	17	47.5 Å²	47.5	12%	0.115	28%	0.275	C	S	.	.			trans	-101.7	151.1	-165.3	-71.1	0	0	0	0	112.4	L51 W52 M53	C13-L51 HydrophobicContact CB-CD1 3.71Å; C13-L51 HydrophobicContact CB-CG 4.25Å; C13-W52 WeakPolarHBondContact CB-O 3.44Å; C13-M53 HydrophobicContact CB-CG 4.08Å; C13-M53 VanDerWaalsContact SG-CG 3.59Å
14	A	95.6	Very high	93.9	Very high	27 Å²	27	38.9 Å²	38.9	22%	0.223	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.1	-175.6	0	0	0	0	0	111.2	L51 W52	A14-L51 CarbonylContact O-C 3.53Å; A14-W52 HydrophobicContact CB-CB 4.42Å; A14-W52 PolarHBondContact N-O 2.74Å; A14-W52 PolarHBondContact O-N 3.36Å
15	V	97.1	Very high	95.2	Very high	37 Å²	37	36.8 Å²	36.8	22%	0.224	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.2	173	170.1	0	0	0	0	110.1	Q17 V29 L33 Y48 E50 L51	V15-Q17 HydrophobicContact CG1-CG 4.34Å; V15-V29 HydrophobicContact CB-CG1 4.5Å; V15-V29 HydrophobicContact CG1-CG1 3.84Å; V15-V29 HydrophobicContact CG2-CG1 3.97Å; V15-L33 HydrophobicContact CG2-CB 4.42Å; V15-L33 HydrophobicContact CG2-CD1 4.32Å; V15-L33 HydrophobicContact CG2-CD2 4.1Å; V15-Y48 HydrophobicContact CG1-CD1 3.74Å; V15-Y48 HydrophobicContact CG1-CE1 4.38Å; V15-E50 CarbonylContact C-O 3.55Å; V15-E50 WeakPolarHBondContact CA-O 3.45Å; V15-L51 HydrophobicContact CG2-CD1 3.74Å
16	Q	97.7	Very high	96.2	Very high	30 Å²	30	40.1 Å²	40.1	14%	0.14	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.4	172.4	-53.6	-62.1	-21.9	0	0	110	Y18 A49 E50 W52 R58	Q16-Y18 HydrophobicContact CB-CD1 4.49Å; Q16-Y18 HydrophobicContact CB-CD2 3.88Å; Q16-Y18 HydrophobicContact CB-CE1 4.17Å; Q16-Y18 HydrophobicContact CB-CE2 3.52Å; Q16-Y18 HydrophobicContact CB-CG 4.36Å; Q16-Y18 HydrophobicContact CG-CE2 3.94Å; Q16-Y18 PolarHBondContact O-N 3.33Å; Q16-A49 WeakPolarHBondContact O-CB 3.34Å; Q16-A49 PolarHBondContact O-N 3.31Å; Q16-E50 HydrophobicContact CB-CB 4.09Å; Q16-E50 HydrophobicContact CG-CB 4.3Å; Q16-E50 PolarHBondContact N-O 3.42Å; Q16-E50 PolarHBondContact O-N 3.26Å; Q16-W52 HydrophobicContact CG-CD2 4.16Å; Q16-W52 HydrophobicContact CG-CG 4.4Å; Q16-W52 HydrophobicContact CG-CZ2 4.12Å; Q16-R58 PolarHBondContact NE2-O 3.42Å
17	Q	96.8	Very high	96.7	Very high	88 Å²	88	38.8 Å²	38.8	41%	0.411	22%	0.216	S	C	.	.			trans	-99.3	53.6	-178.9	-62.4	-168	-41.2	0	0	111.3	V15 P47	V15-Q17 HydrophobicContact CG1-CG 4.34Å; Q17-P47 VanDerWaalsContact CA-O 3.32Å; Q17-P47 WeakPolarHBondContact CA-O 3.44Å; Q17-P47 WeakPolarHBondContact CB-O 3.5Å; Q17-P47 VanDerWaalsContact CG-O 3.27Å; Q17-P47 WeakPolarHBondContact CG-O 3.31Å
18	Y	96.8	Very high	97	Very high	64 Å²	64	35.8 Å²	35.8	25%	0.251	21%	0.205	S	C	.	.			trans	-69.9	144.1	178.2	-57.2	-44.6	0	0	0	111.4	Q16 W20 G21 P47 A49 E50	Q16-Y18 HydrophobicContact CB-CD1 4.49Å; Q16-Y18 HydrophobicContact CB-CD2 3.88Å; Q16-Y18 HydrophobicContact CB-CE1 4.17Å; Q16-Y18 HydrophobicContact CB-CE2 3.52Å; Q16-Y18 HydrophobicContact CB-CG 4.36Å; Q16-Y18 HydrophobicContact CG-CE2 3.94Å; Q16-Y18 PolarHBondContact O-N 3.33Å; Y18-W20 AromaticContact CD2-CE2 3.94Å; Y18-W20 AromaticContact CD2-CZ2 3.83Å; Y18-W20 HydrophobicContact CD2-CZ2 3.83Å; Y18-W20 AromaticContact CD2-NE1 3.71Å; Y18-W20 AromaticContact CG-NE1 3.87Å; Y18-W20 PolarHBondContact O-N 3Å; Y18-G21 PolarHBondContact O-N 2.94Å; Y18-P47 VanDerWaalsContact O-CB 3.29Å; Y18-P47 WeakPolarHBondContact O-CB 3.06Å; Y18-A49 HydrophobicContact CD2-CB 4.13Å; Y18-A49 HydrophobicContact CG-CB 4.32Å; Y18-E50 HydrophobicContact CD2-CG 4.18Å; Y18-E50 HydrophobicContact CE2-CG 4.25Å; Y18-E50 WeakPolarHBondContact CE2-OE2 3.31Å
19	A	96.3	Very high	97.2	Very high	93 Å²	93	35.7 Å²	35.7	77%	0.769	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.8	-173.4	0	0	0	0	0	115.1	G21	A19-G21 VanDerWaalsContact C-N 3.31Å
20	W	97.1	Very high	97.3	Very high	41 Å²	41	35.7 Å²	35.7	16%	0.155	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.2	178.1	58	-108.1	0	0	0	113.7	Y18 A49 E50 L103 V105 E106 T107 L109	Y18-W20 AromaticContact CD2-CE2 3.94Å; Y18-W20 AromaticContact CD2-CZ2 3.83Å; Y18-W20 HydrophobicContact CD2-CZ2 3.83Å; Y18-W20 AromaticContact CD2-NE1 3.71Å; Y18-W20 AromaticContact CG-NE1 3.87Å; Y18-W20 PolarHBondContact O-N 3Å; W20-A49 HydrophobicContact CD2-CB 4.09Å; W20-A49 HydrophobicContact CE3-CB 3.99Å; W20-A49 HydrophobicContact CH2-CB 3.6Å; W20-A49 WeakPolarHBondContact CH2-O 3.47Å; W20-A49 HydrophobicContact CZ2-CB 3.71Å; W20-A49 HydrophobicContact CZ3-CB 3.72Å; W20-E50 HydrophobicContact CH2-CG 3.51Å; W20-E50 HydrophobicContact CZ2-CG 3.58Å; W20-E50 VanDerWaalsContact CZ2-OE1 3.32Å; W20-E50 WeakPolarHBondContact CZ2-OE1 3.44Å; W20-L103 HydrophobicContact CH2-CB 4.44Å; W20-L103 HydrophobicContact CH2-CD2 4.34Å; W20-L103 HydrophobicContact CH2-CG 4.22Å; W20-V105 HydrophobicContact CE3-CB 4.46Å; W20-V105 HydrophobicContact CE3-CG1 4.41Å; W20-V105 HydrophobicContact CE3-CG2 4.3Å; W20-V105 HydrophobicContact CZ3-CB 4.31Å; W20-V105 HydrophobicContact CZ3-CG2 3.77Å; W20-E106 PolarHBondContact O-N 2.9Å; W20-T107 PolarHBondContact O-N 3.32Å; W20-L109 HydrophobicContact CD2-CD1 3.66Å; W20-L109 HydrophobicContact CD2-CG 4.18Å; W20-L109 HydrophobicContact CE3-CD1 3.67Å; W20-L109 HydrophobicContact CG-CD1 4.05Å; W20-L109 HydrophobicContact CG-CG 4.38Å; W20-L109 HydrophobicContact CH2-CD1 4.46Å; W20-L109 HydrophobicContact CZ2-CD1 4.44Å; W20-L109 HydrophobicContact CZ2-CD2 4.16Å; W20-L109 HydrophobicContact CZ3-CD1 4.12Å
21	G	98.3	Very high	97.4	Very high	2 Å²	2	38.4 Å²	38.4	2%	0.021	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-71.5	155.7	-175.8	0	0	0	0	0	113.4	Y18 A19 S104	Y18-G21 PolarHBondContact O-N 2.94Å; A19-G21 VanDerWaalsContact C-N 3.31Å; G21-S104 CarbonylContact C-O 3.59Å; G21-S104 VanDerWaalsContact CA-O 3.27Å; G21-S104 WeakPolarHBondContact CA-O 3.41Å
22	K	98.7	Very high	97.4	Very high	25 Å²	25	37.8 Å²	37.8	11%	0.109	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	145.3	171.2	-66.8	-169.1	-172.2	164.7	0	111.3	N26 S27 P47 Y48 S104 V105 E106 D284	K22-N26 WeakPolarHBondContact CD-O 3.26Å; K22-S27 WeakPolarHBondContact O-CB 3.28Å; K22-P47 WeakPolarHBondContact O-CA 3.42Å; K22-Y48 PolarHBondContact O-N 3.17Å; K22-S104 VanDerWaalsContact CD-OG 3.32Å; K22-S104 WeakPolarHBondContact CD-OG 3.3Å; K22-S104 WeakPolarHBondContact CG-OG 3.43Å; K22-S104 PolarHBondContact N-O 3.3Å; K22-V105 WeakPolarHBondContact CE-O 3.44Å; K22-E106 HydrophobicContact CB-CB 4.47Å; K22-E106 HydrophobicContact CG-CB 3.88Å; K22-D284 VanDerWaalsContact CE-OD1 3.25Å; K22-D284 WeakPolarHBondContact CE-OD1 3.35Å; K22-D284 IonicContact NZ-OD1 3.02Å; K22-D284 PolarHBondContact NZ-OD1 3.26Å; K22-D284 IonicContact NZ-OD2 2.74Å; K22-D284 PolarHBondContact NZ-OD2 3.15Å
23	M	98.4	Very high	97.4	Very high	81 Å²	81	37.4 Å²	37.4	40%	0.399	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	133.8	-177.2	-60.9	-65.1	-82.1	0	0	111.5	N26 D45 K46 P47	M23-N26 VanDerWaalsContact O-CB 3.3Å; M23-N26 WeakPolarHBondContact O-CB 3.36Å; M23-N26 PolarHBondContact O-N 2.98Å; M23-N26 VanDerWaalsContact O-N 3.17Å; M23-N26 PolarHBondContact O-ND2 3.35Å; M23-D45 WeakPolarHBondContact CE-O 3.5Å; M23-K46 WeakPolarHBondContact CA-O 3.22Å; M23-P47 HydrophobicContact SD-CB 3.87Å; M23-P47 HydrophobicContact SD-CG 4.44Å
24	G	98	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	54	-139.2	168.7	0	0	0	0	0	114.1	N26 S27 A30 I42 E44 K46	G24-N26 PolarHBondContact O-N 3.08Å; G24-N26 VanDerWaalsContact O-N 3.1Å; G24-S27 WeakPolarHBondContact O-CB 3.39Å; G24-S27 PolarHBondContact O-N 2.76Å; G24-A30 WeakPolarHBondContact O-CB 3.14Å; G24-I42 VanDerWaalsContact C-CG2 3.49Å; G24-E44 WeakPolarHBondContact CA-OE2 3.3Å; G24-K46 PolarHBondContact N-O 2.79Å
25	S	97.3	Very high	97.3	Very high	45 Å²	45	38.8 Å²	38.8	32%	0.315	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-66.7	-9.9	-178.1	-71	0	0	0	0	114.1	S27 R31 I42 E44	S25-S27 PolarHBondContact O-N 3.15Å; S25-R31 PolarHBondContact O-NH1 3.34Å; S25-I42 WeakPolarHBondContact OG-CD1 3.41Å; S25-E44 WeakPolarHBondContact CB-OE1 3.12Å; S25-E44 PolarHBondContact N-OE2 3.27Å; S25-E44 PolarHBondContact OG-OE1 3.03Å
26	N	98.1	Very high	96.9	Very high	111 Å²	111	39.3 Å²	39.3	59%	0.594	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-72.3	-20.4	171.2	-59.8	-51.3	0	0	0	112.1	K22 M23 G24 R31	K22-N26 WeakPolarHBondContact CD-O 3.26Å; M23-N26 VanDerWaalsContact O-CB 3.3Å; M23-N26 WeakPolarHBondContact O-CB 3.36Å; M23-N26 PolarHBondContact O-N 2.98Å; M23-N26 VanDerWaalsContact O-N 3.17Å; M23-N26 PolarHBondContact O-ND2 3.35Å; G24-N26 PolarHBondContact O-N 3.08Å; G24-N26 VanDerWaalsContact O-N 3.1Å; N26-R31 PolarHBondContact O-NH1 3.49Å
27	S	98.6	Very high	96.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.225	C	C	.	.			trans	-78.3	132	176.1	176.2	0	0	0	0	112.7	K22 G24 S25 V29 A30 R31 Y48 S104	K22-S27 WeakPolarHBondContact O-CB 3.28Å; G24-S27 WeakPolarHBondContact O-CB 3.39Å; G24-S27 PolarHBondContact O-N 2.76Å; S25-S27 PolarHBondContact O-N 3.15Å; S27-V29 VanDerWaalsContact C-N 3.25Å; S27-V29 PolarHBondContact O-N 3.44Å; S27-V29 WeakPolarHBondContact OG-CB 3.45Å; S27-V29 PolarHBondContact OG-N 2.91Å; S27-V29 VanDerWaalsContact OG-N 3.09Å; S27-A30 PolarHBondContact O-N 3.46Å; S27-A30 PolarHBondContact OG-N 3.34Å; S27-R31 WeakPolarHBondContact O-CG 3.34Å; S27-R31 PolarHBondContact O-N 3.45Å; S27-R31 VanDerWaalsContact O-N 3.1Å; S27-R31 PolarHBondContact O-NH1 2.74Å; S27-Y48 VanDerWaalsContact OG-CB 3.3Å; S27-Y48 WeakPolarHBondContact OG-CB 3.45Å; S27-Y48 PolarHBondContact OG-O 2.83Å; S27-S104 VanDerWaalsContact CA-OG 3.32Å; S27-S104 WeakPolarHBondContact CA-OG 3.35Å; S27-S104 VanDerWaalsContact OG-CB 3.25Å; S27-S104 WeakPolarHBondContact OG-CB 3.5Å; S27-S104 PolarHBondContact OG-OG 3.15Å
28	E	98.5	Very high	95.6	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-35.8	169.9	-177.2	55.1	-153.8	0	0	111.4	A30 R31 L32 V102 S104 L144 D284 R394	E28-A30 PolarHBondContact O-N 3.46Å; E28-R31 PolarHBondContact O-N 2.89Å; E28-R31 IonicContact OE2-CZ 2.83Å; E28-R31 VanDerWaalsContact OE2-CZ 3.27Å; E28-R31 IonicContact OE2-NE 3.83Å; E28-R31 PolarHBondContact OE2-NE 2.94Å; E28-R31 VanDerWaalsContact OE2-NE 3.07Å; E28-R31 IonicContact OE2-NH2 3.71Å; E28-R31 PolarHBondContact OE2-NH2 3.2Å; E28-L32 HydrophobicContact CG-CD1 4.08Å; E28-L32 HydrophobicContact CG-CG 4.33Å; E28-L32 WeakPolarHBondContact O-CB 3.49Å; E28-L32 VanDerWaalsContact O-CG 3.25Å; E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.49Å; E28-L32 WeakPolarHBondContact OE1-CG 3.44Å; E28-V102 HydrophobicContact CG-CG1 4.11Å; E28-S104 PolarHBondContact N-OG 2.76Å; E28-S104 VanDerWaalsContact N-OG 3.11Å; E28-L144 HydrophobicContact CG-CD1 4.07Å; E28-D284 HydrophobicContact CB-CB 3.87Å; E28-D284 HydrophobicContact CG-CB 4.4Å; E28-R394 IonicContact OE1-CZ 2.87Å; E28-R394 VanDerWaalsContact OE1-CZ 3.31Å; E28-R394 IonicContact OE1-NE 2.65Å; E28-R394 PolarHBondContact OE1-NE 2.88Å; E28-R394 IonicContact OE1-NH2 2.8Å; E28-R394 PolarHBondContact OE1-NH2 3.23Å; E28-R394 IonicContact OE2-NH2 3.47Å; E28-R394 PolarHBondContact OE2-NH2 3.04Å
29	V	98.6	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-44.2	175.8	169	0	0	0	0	111	V15 S27 L32 L33 L51 V102	V15-V29 HydrophobicContact CB-CG1 4.5Å; V15-V29 HydrophobicContact CG1-CG1 3.84Å; V15-V29 HydrophobicContact CG2-CG1 3.97Å; S27-V29 VanDerWaalsContact C-N 3.25Å; S27-V29 PolarHBondContact O-N 3.44Å; S27-V29 WeakPolarHBondContact OG-CB 3.45Å; S27-V29 PolarHBondContact OG-N 2.91Å; S27-V29 VanDerWaalsContact OG-N 3.09Å; V29-L32 PolarHBondContact O-N 3.28Å; V29-L33 WeakPolarHBondContact O-CB 3.3Å; V29-L33 PolarHBondContact O-N 3.47Å; V29-L51 HydrophobicContact CG1-CB 4.05Å; V29-L51 HydrophobicContact CG2-CB 4.2Å; V29-V102 HydrophobicContact CG2-CB 4.34Å; V29-V102 HydrophobicContact CG2-CG1 4.08Å; V29-V102 WeakPolarHBondContact CG2-O 3.38Å
30	A	98	Very high	94.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-44.1	176.9	0	0	0	0	0	111.9	G24 S27 E28 L33 A34 I42 Y48	G24-A30 WeakPolarHBondContact O-CB 3.14Å; S27-A30 PolarHBondContact O-N 3.46Å; S27-A30 PolarHBondContact OG-N 3.34Å; E28-A30 PolarHBondContact O-N 3.46Å; A30-L33 PolarHBondContact O-N 2.9Å; A30-A34 WeakPolarHBondContact O-CB 3.5Å; A30-A34 PolarHBondContact O-N 2.87Å; A30-I42 HydrophobicContact CB-CD1 4.04Å; A30-I42 HydrophobicContact CB-CG1 4.24Å; A30-I42 HydrophobicContact CB-CG2 4.07Å; A30-Y48 HydrophobicContact CB-CD1 3.76Å; A30-Y48 HydrophobicContact CB-CD2 3.89Å; A30-Y48 HydrophobicContact CB-CE1 4.23Å; A30-Y48 HydrophobicContact CB-CE2 4.34Å; A30-Y48 HydrophobicContact CB-CG 3.61Å
31	R	97.6	Very high	94.6	Very high	77 Å²	77	49 Å²	49	29%	0.291	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-40.3	178.5	-70.2	-171.7	-61.1	-91.7	3.5	112.4	S25 N26 S27 E28 S35 D284	S25-R31 PolarHBondContact O-NH1 3.34Å; N26-R31 PolarHBondContact O-NH1 3.49Å; S27-R31 WeakPolarHBondContact O-CG 3.34Å; S27-R31 PolarHBondContact O-N 3.45Å; S27-R31 VanDerWaalsContact O-N 3.1Å; S27-R31 PolarHBondContact O-NH1 2.74Å; E28-R31 PolarHBondContact O-N 2.89Å; E28-R31 IonicContact OE2-CZ 2.83Å; E28-R31 VanDerWaalsContact OE2-CZ 3.27Å; E28-R31 IonicContact OE2-NE 3.83Å; E28-R31 PolarHBondContact OE2-NE 2.94Å; E28-R31 VanDerWaalsContact OE2-NE 3.07Å; E28-R31 IonicContact OE2-NH2 3.71Å; E28-R31 PolarHBondContact OE2-NH2 3.2Å; R31-S35 VanDerWaalsContact O-CB 3.27Å; R31-S35 WeakPolarHBondContact O-CB 3.36Å; R31-S35 PolarHBondContact O-N 3.4Å; R31-S35 PolarHBondContact O-OG 3.26Å; R31-D284 IonicContact NH2-OD2 3.01Å
32	L	97.8	Very high	94.4	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-47.5	174.9	-69.6	169.6	0	0	0	110.8	E28 V29 S35 S36 L51 V102 R394 G395	E28-L32 HydrophobicContact CG-CD1 4.08Å; E28-L32 HydrophobicContact CG-CG 4.33Å; E28-L32 WeakPolarHBondContact O-CB 3.49Å; E28-L32 VanDerWaalsContact O-CG 3.25Å; E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.49Å; E28-L32 WeakPolarHBondContact OE1-CG 3.44Å; V29-L32 PolarHBondContact O-N 3.28Å; L32-S35 PolarHBondContact O-N 3.3Å; L32-S36 PolarHBondContact O-N 2.87Å; L32-S36 PolarHBondContact O-OG 3.31Å; L32-L51 HydrophobicContact CB-CD2 4.31Å; L32-L51 HydrophobicContact CD1-CD2 4.23Å; L32-V102 HydrophobicContact CD1-CB 4Å; L32-V102 HydrophobicContact CD1-CG1 3.82Å; L32-V102 HydrophobicContact CD1-CG2 3.75Å; L32-R394 HydrophobicContact CD2-CG 3.83Å; L32-G395 WeakPolarHBondContact O-CA 3.27Å
33	L	95.3	Very high	94.4	Very high	40 Å²	40	51 Å²	51	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-51.7	178.2	177.6	68.9	0	0	0	112	V15 V29 A30 S35 S36 D37 A40 Y48	V15-L33 HydrophobicContact CG2-CB 4.42Å; V15-L33 HydrophobicContact CG2-CD1 4.32Å; V15-L33 HydrophobicContact CG2-CD2 4.1Å; V29-L33 WeakPolarHBondContact O-CB 3.3Å; V29-L33 PolarHBondContact O-N 3.47Å; A30-L33 PolarHBondContact O-N 2.9Å; L33-S35 PolarHBondContact O-N 2.98Å; L33-S36 PolarHBondContact O-N 3.24Å; L33-S36 VanDerWaalsContact O-N 3.16Å; L33-S36 PolarHBondContact O-OG 3.49Å; L33-D37 PolarHBondContact O-N 3.47Å; L33-A40 HydrophobicContact CD1-CB 4.42Å; L33-A40 HydrophobicContact CD2-CB 4.23Å; L33-A40 HydrophobicContact CG-CB 3.88Å; L33-Y48 HydrophobicContact CD2-CE1 4.16Å
34	A	94.8	Very high	94.3	Very high	35 Å²	35	52.3 Å²	52.3	29%	0.289	29%	0.291	S	S	.	.	H	α-helix	trans	-66.1	-27.3	-178.2	0	0	0	0	0	113	A30 I42	A30-A34 WeakPolarHBondContact O-CB 3.5Å; A30-A34 PolarHBondContact O-N 2.87Å; A34-I42 HydrophobicContact CB-CD1 3.65Å; A34-I42 HydrophobicContact CB-CG1 3.73Å
35	S	93	Very high	94.3	Very high	39 Å²	39	58.2 Å²	58.2	27%	0.273	32%	0.323	S	S	.	.	H	α-helix	trans	-76.1	-32.7	175.1	-59.2	0	0	0	0	111.9	R31 L32 L33 Q393 R394	R31-S35 VanDerWaalsContact O-CB 3.27Å; R31-S35 WeakPolarHBondContact O-CB 3.36Å; R31-S35 PolarHBondContact O-N 3.4Å; R31-S35 PolarHBondContact O-OG 3.26Å; L32-S35 PolarHBondContact O-N 3.3Å; L33-S35 PolarHBondContact O-N 2.98Å; S35-Q393 WeakPolarHBondContact O-CG 3.49Å; S35-Q393 PolarHBondContact O-NE2 2.98Å; S35-R394 CarbonylContact C-O 3.19Å; S35-R394 WeakPolarHBondContact CB-O 3.32Å
36	S	89.3	Confident	94.3	Very high	47 Å²	47	60.6 Å²	60.6	33%	0.329	33%	0.328	S	S	.	.	H	α-helix	trans	-91.1	-24.1	-176.6	62.9	0	0	0	0	114.7	L32 L33 G395	L32-S36 PolarHBondContact O-N 2.87Å; L32-S36 PolarHBondContact O-OG 3.31Å; L33-S36 PolarHBondContact O-N 3.24Å; L33-S36 VanDerWaalsContact O-N 3.16Å; L33-S36 PolarHBondContact O-OG 3.49Å; S36-G395 VanDerWaalsContact CB-O 3.23Å; S36-G395 WeakPolarHBondContact CB-O 3.39Å; S36-G395 PolarHBondContact OG-O 3.24Å
37	D	87.9	Confident	94.3	Very high	53 Å²	53	56.6 Å²	56.6	28%	0.283	31%	0.308	S	S	.	.			trans	-121.5	106.9	176.1	-178.1	-1.8	0	0	0	110.6	L33 L39 A40	L33-D37 PolarHBondContact O-N 3.47Å; D37-L39 PolarHBondContact O-N 3.46Å; D37-L39 WeakPolarHBondContact OD1-CB 3.49Å; D37-L39 PolarHBondContact OD1-N 2.86Å; D37-A40 HydrophobicContact CB-CB 3.87Å; D37-A40 WeakPolarHBondContact O-CB 3.24Å; D37-A40 PolarHBondContact O-N 2.92Å
38	P	79.8	Confident	94.3	Very high	116 Å²	116	57 Å²	57	75%	0.753	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.7	178.7	-23.7	33.8	0	0	0	114.8
39	L	86.6	Confident	94.3	Very high	153 Å²	153	56.7 Å²	56.7	80%	0.801	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-14.2	176.7	-59.3	178.7	0	0	0	112.4	D37 Q41	D37-L39 PolarHBondContact O-N 3.46Å; D37-L39 WeakPolarHBondContact OD1-CB 3.49Å; D37-L39 PolarHBondContact OD1-N 2.86Å; L39-Q41 PolarHBondContact O-N 3.42Å
40	A	89.3	Confident	94.3	Very high	24 Å²	24	57.5 Å²	57.5	20%	0.198	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-70.1	123.5	179.3	0	0	0	0	0	110.5	L33 D37	L33-A40 HydrophobicContact CD1-CB 4.42Å; L33-A40 HydrophobicContact CD2-CB 4.23Å; L33-A40 HydrophobicContact CG-CB 3.88Å; D37-A40 HydrophobicContact CB-CB 3.87Å; D37-A40 WeakPolarHBondContact O-CB 3.24Å; D37-A40 PolarHBondContact O-N 2.92Å
41	Q	91.9	Very high	94.3	Very high	175 Å²	175	57.8 Å²	57.8	82%	0.818	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-103.5	131	172.4	-66	-174.8	-13.9	0	0	109.5	L39 A43	L39-Q41 PolarHBondContact O-N 3.42Å; Q41-A43 PolarHBondContact O-N 2.95Å
42	I	96	Very high	94.4	Very high	42 Å²	42	54.5 Å²	54.5	22%	0.215	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-78.3	120.8	174.2	-59.1	177.6	0	0	0	108.2	G24 S25 A30 A34 E44 Y48	G24-I42 VanDerWaalsContact C-CG2 3.49Å; S25-I42 WeakPolarHBondContact OG-CD1 3.41Å; A30-I42 HydrophobicContact CB-CD1 4.04Å; A30-I42 HydrophobicContact CB-CG1 4.24Å; A30-I42 HydrophobicContact CB-CG2 4.07Å; A34-I42 HydrophobicContact CB-CD1 3.65Å; A34-I42 HydrophobicContact CB-CG1 3.73Å; I42-E44 PolarHBondContact O-N 3.48Å; I42-Y48 HydrophobicContact CG2-CE2 4.21Å
43	A	96.8	Very high	94.4	Very high	26 Å²	26	54.5 Å²	54.5	22%	0.215	30%	0.301	C	S	.	.			trans	-83	106.3	168	0	0	0	0	0	108.5	Q41 D45 K46 Y48	Q41-A43 PolarHBondContact O-N 2.95Å; A43-D45 PolarHBondContact O-N 3.01Å; A43-D45 VanDerWaalsContact O-N 3.16Å; A43-K46 HydrophobicContact CB-CB 4.03Å; A43-K46 HydrophobicContact CB-CD 3.79Å; A43-K46 HydrophobicContact CB-CG 3.82Å; A43-K46 PolarHBondContact O-N 3.45Å; A43-K46 VanDerWaalsContact O-N 3.1Å; A43-Y48 PolarHBondContact N-OH 3.26Å
44	E	97.6	Very high	94.6	Very high	108 Å²	108	52.6 Å²	52.6	51%	0.505	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.1	-174.1	-65.1	-58.7	153.5	0	0	113.8	G24 S25 I42	G24-E44 WeakPolarHBondContact CA-OE2 3.3Å; S25-E44 WeakPolarHBondContact CB-OE1 3.12Å; S25-E44 PolarHBondContact N-OE2 3.27Å; S25-E44 PolarHBondContact OG-OE1 3.03Å; I42-E44 PolarHBondContact O-N 3.48Å
45	D	97.2	Very high	94.7	Very high	124 Å²	124	52.3 Å²	52.3	66%	0.663	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	8.5	179.1	70.7	-33.7	0	0	0	113.9	M23 A43	M23-D45 WeakPolarHBondContact CE-O 3.5Å; A43-D45 PolarHBondContact O-N 3.01Å; A43-D45 VanDerWaalsContact O-N 3.16Å
46	K	97.8	Very high	94.9	Very high	96 Å²	96	51.2 Å²	51.2	42%	0.417	28%	0.276	S	S	.	.	S	Bend	trans	-116.2	146.7	178.9	-66.6	-170.3	-179.1	-179.6	0	112.6	M23 G24 A43 Y48	M23-K46 WeakPolarHBondContact CA-O 3.22Å; G24-K46 PolarHBondContact N-O 2.79Å; A43-K46 HydrophobicContact CB-CB 4.03Å; A43-K46 HydrophobicContact CB-CD 3.79Å; A43-K46 HydrophobicContact CB-CG 3.82Å; A43-K46 PolarHBondContact O-N 3.45Å; A43-K46 VanDerWaalsContact O-N 3.1Å; K46-Y48 HydrophobicContact CB-CE2 4.14Å; K46-Y48 WeakPolarHBondContact O-CD2 3.44Å
47	P	98.2	Very high	95.1	Very high	26 Å²	26	54.7 Å²	54.7	17%	0.169	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	143.2	172.4	32.6	-34.7	0	0	0	110.9	Q17 Y18 K22 M23	Q17-P47 VanDerWaalsContact CA-O 3.32Å; Q17-P47 WeakPolarHBondContact CA-O 3.44Å; Q17-P47 WeakPolarHBondContact CB-O 3.5Å; Q17-P47 VanDerWaalsContact CG-O 3.27Å; Q17-P47 WeakPolarHBondContact CG-O 3.31Å; Y18-P47 VanDerWaalsContact O-CB 3.29Å; Y18-P47 WeakPolarHBondContact O-CB 3.06Å; K22-P47 WeakPolarHBondContact O-CA 3.42Å; M23-P47 HydrophobicContact SD-CB 3.87Å; M23-P47 HydrophobicContact SD-CG 4.44Å
48	Y	98.6	Very high	95.3	Very high	10 Å²	10	59.6 Å²	59.6	4%	0.039	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	100.7	172.6	-72.1	-106.9	0	0	0	107.2	V15 K22 S27 A30 L33 I42 A43 K46	V15-Y48 HydrophobicContact CG1-CD1 3.74Å; V15-Y48 HydrophobicContact CG1-CE1 4.38Å; K22-Y48 PolarHBondContact O-N 3.17Å; S27-Y48 VanDerWaalsContact OG-CB 3.3Å; S27-Y48 WeakPolarHBondContact OG-CB 3.45Å; S27-Y48 PolarHBondContact OG-O 2.83Å; A30-Y48 HydrophobicContact CB-CD1 3.76Å; A30-Y48 HydrophobicContact CB-CD2 3.89Å; A30-Y48 HydrophobicContact CB-CE1 4.23Å; A30-Y48 HydrophobicContact CB-CE2 4.34Å; A30-Y48 HydrophobicContact CB-CG 3.61Å; L33-Y48 HydrophobicContact CD2-CE1 4.16Å; I42-Y48 HydrophobicContact CG2-CE2 4.21Å; A43-Y48 PolarHBondContact N-OH 3.26Å; K46-Y48 HydrophobicContact CB-CE2 4.14Å; K46-Y48 WeakPolarHBondContact O-CD2 3.44Å
49	A	98.5	Very high	96.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.			trans	-98.5	-50.1	-164.5	0	0	0	0	0	112.3	Q16 Y18 W20 L103 S104	Q16-A49 WeakPolarHBondContact O-CB 3.34Å; Q16-A49 PolarHBondContact O-N 3.31Å; Y18-A49 HydrophobicContact CD2-CB 4.13Å; Y18-A49 HydrophobicContact CG-CB 4.32Å; W20-A49 HydrophobicContact CD2-CB 4.09Å; W20-A49 HydrophobicContact CE3-CB 3.99Å; W20-A49 HydrophobicContact CH2-CB 3.6Å; W20-A49 WeakPolarHBondContact CH2-O 3.47Å; W20-A49 HydrophobicContact CZ2-CB 3.71Å; W20-A49 HydrophobicContact CZ3-CB 3.72Å; A49-L103 CarbonylContact O-C 3.58Å; A49-L103 WeakPolarHBondContact O-CA 3.45Å; A49-S104 PolarHBondContact O-N 2.76Å
50	E	98.7	Very high	96.6	Very high	17 Å²	17	49 Å²	49	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.7	-175.6	-50	-175.2	157.1	0	0	111.4	V15 Q16 Y18 W20 W52 V102 L103	V15-E50 CarbonylContact C-O 3.55Å; V15-E50 WeakPolarHBondContact CA-O 3.45Å; Q16-E50 HydrophobicContact CB-CB 4.09Å; Q16-E50 HydrophobicContact CG-CB 4.3Å; Q16-E50 PolarHBondContact N-O 3.42Å; Q16-E50 PolarHBondContact O-N 3.26Å; Y18-E50 HydrophobicContact CD2-CG 4.18Å; Y18-E50 HydrophobicContact CE2-CG 4.25Å; Y18-E50 WeakPolarHBondContact CE2-OE2 3.31Å; W20-E50 HydrophobicContact CH2-CG 3.51Å; W20-E50 HydrophobicContact CZ2-CG 3.58Å; W20-E50 VanDerWaalsContact CZ2-OE1 3.32Å; W20-E50 WeakPolarHBondContact CZ2-OE1 3.44Å; E50-W52 VanDerWaalsContact OE2-CE2 3.25Å; E50-W52 WeakPolarHBondContact OE2-CZ2 3.3Å; E50-W52 PolarHBondContact OE2-NE1 3.35Å; E50-V102 CarbonylContact C-O 3.52Å; E50-V102 VanDerWaalsContact CA-O 3.29Å; E50-V102 WeakPolarHBondContact CA-O 3.42Å; E50-L103 HydrophobicContact CG-CG 4.19Å
51	L	98.6	Very high	97	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.5	163.9	-179.6	65.5	0	0	0	108.3	C13 A14 V15 V29 L32 M53 K101 V102	C13-L51 HydrophobicContact CB-CD1 3.71Å; C13-L51 HydrophobicContact CB-CG 4.25Å; A14-L51 CarbonylContact O-C 3.53Å; V15-L51 HydrophobicContact CG2-CD1 3.74Å; V29-L51 HydrophobicContact CG1-CB 4.05Å; V29-L51 HydrophobicContact CG2-CB 4.2Å; L32-L51 HydrophobicContact CB-CD2 4.31Å; L32-L51 HydrophobicContact CD1-CD2 4.23Å; L51-M53 HydrophobicContact CD2-SD 4.47Å; L51-M53 HydrophobicContact CG-CG 4.42Å; L51-K101 WeakPolarHBondContact O-CA 3.34Å; L51-K101 WeakPolarHBondContact O-CB 3.38Å; L51-V102 HydrophobicContact CB-CB 4.26Å; L51-V102 PolarHBondContact N-O 3.4Å; L51-V102 PolarHBondContact O-N 2.92Å; L51-V102 VanDerWaalsContact O-N 3.12Å
52	W	98.6	Very high	97.2	Very high	8 Å²	8	45.8 Å²	45.8	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.5	-175.7	-74.8	19	0	0	0	111.9	C13 A14 Q16 E50 H56 R58 L99 K101	C13-W52 WeakPolarHBondContact CB-O 3.44Å; A14-W52 HydrophobicContact CB-CB 4.42Å; A14-W52 PolarHBondContact N-O 2.74Å; A14-W52 PolarHBondContact O-N 3.36Å; Q16-W52 HydrophobicContact CG-CD2 4.16Å; Q16-W52 HydrophobicContact CG-CG 4.4Å; Q16-W52 HydrophobicContact CG-CZ2 4.12Å; E50-W52 VanDerWaalsContact OE2-CE2 3.25Å; E50-W52 WeakPolarHBondContact OE2-CZ2 3.3Å; E50-W52 PolarHBondContact OE2-NE1 3.35Å; W52-H56 HydrophobicContact CE3-CB 4.11Å; W52-H56 HydrophobicContact CZ3-CB 4.11Å; W52-H56 AromaticContact CZ3-CE1 3.88Å; W52-H56 AromaticContact CZ3-CG 3.71Å; W52-H56 AromaticContact CZ3-ND1 3.29Å; W52-H56 VanDerWaalsContact CZ3-ND1 3.29Å; W52-H56 WeakPolarHBondContact CZ3-ND1 3.28Å; W52-R58 HydrophobicContact CH2-CB 4.36Å; W52-R58 HydrophobicContact CZ3-CB 3.83Å; W52-L99 HydrophobicContact CB-CD1 4.25Å; W52-L99 HydrophobicContact CD2-CD2 4.04Å; W52-L99 HydrophobicContact CE3-CD2 4.07Å; W52-L99 HydrophobicContact CG-CD1 4.44Å; W52-L99 HydrophobicContact CZ3-CD2 4.33Å; W52-K101 HydrophobicContact CG-CG 4.46Å
53	M	98.6	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	103.7	-178.1	-52.6	165.3	-83.9	0	0	108.7	C13 L51 F100 K101 V102 I371 L373 V397	C13-M53 HydrophobicContact CB-CG 4.08Å; C13-M53 VanDerWaalsContact SG-CG 3.59Å; L51-M53 HydrophobicContact CD2-SD 4.47Å; L51-M53 HydrophobicContact CG-CG 4.42Å; M53-F100 WeakPolarHBondContact CA-O 3.38Å; M53-F100 HydrophobicContact CB-CB 4.27Å; M53-F100 HydrophobicContact CB-CD1 4.33Å; M53-F100 WeakPolarHBondContact CB-O 3.35Å; M53-F100 HydrophobicContact CE-CB 4.37Å; M53-F100 HydrophobicContact CE-CD1 3.36Å; M53-F100 HydrophobicContact CE-CE1 3.69Å; M53-F100 HydrophobicContact CE-CG 3.83Å; M53-F100 HydrophobicContact CE-CZ 4.41Å; M53-F100 PolarHBondContact N-O 2.71Å; M53-F100 PolarHBondContact O-N 2.99Å; M53-F100 VanDerWaalsContact O-N 3.07Å; M53-F100 HydrophobicContact SD-CD1 3.74Å; M53-F100 HydrophobicContact SD-CE1 4.06Å; M53-K101 VanDerWaalsContact CE-C 3.49Å; M53-V102 HydrophobicContact CE-CG2 4.21Å; M53-I371 HydrophobicContact CB-CD1 4.42Å; M53-I371 HydrophobicContact CB-CG2 3.9Å; M53-I371 WeakPolarHBondContact O-CD1 3.39Å; M53-L373 HydrophobicContact CE-CD2 4.13Å; M53-L373 HydrophobicContact SD-CB 4.1Å; M53-L373 HydrophobicContact SD-CD1 4.17Å; M53-L373 HydrophobicContact SD-CD2 4.24Å; M53-L373 HydrophobicContact SD-CG 4.4Å; M53-V397 HydrophobicContact CB-CG1 4.36Å; M53-V397 HydrophobicContact CG-CG1 4.13Å; M53-V397 HydrophobicContact CG-CG2 4.14Å; M53-V397 HydrophobicContact SD-CG1 4.07Å; M53-V397 HydrophobicContact SD-CG2 3.77Å
54	G	98	Very high	96.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	157.9	-157.2	-177.1	0	0	0	0	0	112.1	A61	G54-A61 WeakPolarHBondContact O-CB 3.47Å; G54-A61 PolarHBondContact O-N 2.66Å
55	T	97.8	Very high	96.5	Very high	28 Å²	28	45.1 Å²	45.1	17%	0.172	22%	0.22	C	C	.	.			trans	-111.1	18.1	-173.8	59.4	0	0	0	0	113.4	L73 I77 L96	T55-L73 HydrophobicContact CG2-CB 4.18Å; T55-L73 HydrophobicContact CG2-CD2 3.97Å; T55-L73 HydrophobicContact CG2-CG 3.77Å; T55-I77 HydrophobicContact CG2-CD1 3.88Å; T55-L96 HydrophobicContact CG2-CB 4.2Å; T55-L96 HydrophobicContact CG2-CD2 4.28Å
56	H	96.8	Very high	95.9	Very high	16 Å²	16	46.7 Å²	46.7	7%	0.074	23%	0.229	C	C	.	.			trans	-64.6	133.1	-175.7	-169.6	-78.7	0	0	0	110.8	W52 R58 G59 D60 L99 D293	W52-H56 HydrophobicContact CE3-CB 4.11Å; W52-H56 HydrophobicContact CZ3-CB 4.11Å; W52-H56 AromaticContact CZ3-CE1 3.88Å; W52-H56 AromaticContact CZ3-CG 3.71Å; W52-H56 AromaticContact CZ3-ND1 3.29Å; W52-H56 VanDerWaalsContact CZ3-ND1 3.29Å; W52-H56 WeakPolarHBondContact CZ3-ND1 3.28Å; H56-R58 PolarHBondContact ND1-N 3.33Å; H56-R58 PolarHBondContact O-N 2.85Å; H56-G59 CarbonylContact O-C 3.48Å; H56-G59 PolarHBondContact O-N 3.29Å; H56-D60 WeakPolarHBondContact O-CA 3.43Å; H56-D60 PolarHBondContact O-N 2.88Å; H56-L99 HydrophobicContact CB-CD1 4.1Å; H56-L99 HydrophobicContact CB-CD2 3.99Å; H56-D293 IonicContact CE1-OD2 2.85Å; H56-D293 IonicContact NE2-OD1 3.16Å; H56-D293 IonicContact NE2-OD2 2.87Å
57	P	94.2	Very high	95.4	Very high	121 Å²	121	46.5 Å²	46.5	79%	0.786	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.6	-173.3	-29.7	35.3	0	0	0	115.5	G59	P57-G59 VanDerWaalsContact C-N 3.32Å
58	R	92.9	Very high	94.8	Very high	155 Å²	155	45.9 Å²	45.9	59%	0.585	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.4	178	-59	178.6	61.8	177.1	-2	115.1	Q16 W52 H56	Q16-R58 PolarHBondContact NE2-O 3.42Å; W52-R58 HydrophobicContact CH2-CB 4.36Å; W52-R58 HydrophobicContact CZ3-CB 3.83Å; H56-R58 PolarHBondContact ND1-N 3.33Å; H56-R58 PolarHBondContact O-N 2.85Å
59	G	95.1	Very high	94.1	Very high	6 Å²	6	48.9 Å²	48.9	6%	0.062	24%	0.243	C	C	.	.	S	Bend	trans	-166.8	44.5	-177.6	0	0	0	0	0	112.2	H56 P57 A61	H56-G59 CarbonylContact O-C 3.48Å; H56-G59 PolarHBondContact O-N 3.29Å; P57-G59 VanDerWaalsContact C-N 3.32Å; G59-A61 PolarHBondContact O-N 3.16Å
60	D	97.5	Very high	93.4	Very high	40 Å²	40	56.2 Å²	56.2	21%	0.214	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66.2	119.6	179.9	-171	-1.2	0	0	0	108.6	H56 T72 L73 G74	H56-D60 WeakPolarHBondContact O-CA 3.43Å; H56-D60 PolarHBondContact O-N 2.88Å; D60-T72 HydrophobicContact CB-CG2 4.36Å; D60-T72 VanDerWaalsContact CG-OG1 3.3Å; D60-T72 WeakPolarHBondContact OD2-CB 3.42Å; D60-T72 PolarHBondContact OD2-OG1 3.38Å; D60-L73 PolarHBondContact OD1-N 3.03Å; D60-G74 PolarHBondContact OD1-N 3.14Å; D60-G74 PolarHBondContact OD2-N 3.38Å
61	A	97.5	Very high	93	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-63	139.8	-172.4	0	0	0	0	0	110.5	L11 G54 G59 T72 L73	L11-A61 HydrophobicContact CB-CB 4.35Å; L11-A61 HydrophobicContact CD1-CB 4.11Å; L11-A61 HydrophobicContact CD2-CB 4.4Å; G54-A61 WeakPolarHBondContact O-CB 3.47Å; G54-A61 PolarHBondContact O-N 2.66Å; G59-A61 PolarHBondContact O-N 3.16Å; A61-T72 CarbonylContact O-C 3.53Å; A61-T72 VanDerWaalsContact O-CA 3.28Å; A61-T72 WeakPolarHBondContact O-CA 3.37Å; A61-L73 HydrophobicContact CB-CB 4.28Å; A61-L73 PolarHBondContact O-N 3.37Å
62	K	96.5	Very high	92.9	Very high	133 Å²	133	58.8 Å²	58.8	58%	0.578	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	143.6	175.1	-65.1	179.6	-177.8	176.6	0	109.9	L11 S12 F64	L11-K62 CarbonylContact C-O 3.49Å; L11-K62 WeakPolarHBondContact CA-O 3.47Å; S12-K62 PolarHBondContact N-O 2.99Å; S12-K62 PolarHBondContact O-N 3.13Å; K62-F64 PolarHBondContact O-N 2.97Å
63	I	95.3	Very high	92.8	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.6	173.6	-62.2	179.1	0	0	0	108.8	F9 L11 D65 I68 K71 W76	F9-I63 HydrophobicContact CD2-CB 4.48Å; F9-I63 HydrophobicContact CD2-CD1 4.37Å; F9-I63 HydrophobicContact CD2-CG1 4.14Å; F9-I63 HydrophobicContact CD2-CG2 3.76Å; F9-I63 HydrophobicContact CE2-CD1 3.72Å; F9-I63 HydrophobicContact CE2-CG1 3.73Å; F9-I63 HydrophobicContact CE2-CG2 4.18Å; F9-I63 HydrophobicContact CG-CG2 4.3Å; F9-I63 HydrophobicContact CZ-CD1 4.03Å; L11-I63 HydrophobicContact CD2-CG1 4.36Å; I63-D65 VanDerWaalsContact C-N 3.31Å; I63-D65 HydrophobicContact CG2-CB 3.82Å; I63-D65 PolarHBondContact O-N 3.44Å; I63-I68 HydrophobicContact CD1-CD1 4.46Å; I63-I68 HydrophobicContact CD1-CG2 3.92Å; I63-I68 HydrophobicContact CG2-CB 3.98Å; I63-I68 HydrophobicContact CG2-CD1 3.92Å; I63-I68 HydrophobicContact CG2-CG1 4.47Å; I63-I68 HydrophobicContact CG2-CG2 4.21Å; I63-K71 PolarHBondContact N-O 2.74Å; I63-K71 VanDerWaalsContact N-O 3.14Å; I63-W76 HydrophobicContact CD1-CB 3.54Å; I63-W76 HydrophobicContact CD1-CG 3.69Å
64	F	90.8	Very high	92.8	Very high	143 Å²	143	59.3 Å²	59.3	63%	0.627	30%	0.299	S	S	*	.			trans	-96.8	47.8	-179	-166.9	-112.7	0	0	0	111.5	P10 K62	P10-F64 HydrophobicContact CB-CB 4.45Å; P10-F64 HydrophobicContact CG-CB 4.31Å; P10-F64 VanDerWaalsContact CG-O 3.23Å; P10-F64 WeakPolarHBondContact CG-O 3.43Å; P10-F64 PolarHBondContact O-N 3.49Å; K62-F64 PolarHBondContact O-N 2.97Å
65	D	88.4	Confident	92.7	Very high	14 Å²	14	64.3 Å²	64.3	8%	0.075	32%	0.322	C	S	.	.			trans	-138.8	116.3	-173.3	-169.1	-23	0	0	0	111.4	F9 I63 R67 I68	F9-D65 HydrophobicContact CB-CB 4.02Å; F9-D65 WeakPolarHBondContact CB-OD2 3.29Å; I63-D65 VanDerWaalsContact C-N 3.31Å; I63-D65 HydrophobicContact CG2-CB 3.82Å; I63-D65 PolarHBondContact O-N 3.44Å; D65-R67 PolarHBondContact O-N 3.09Å; D65-R67 VanDerWaalsContact O-N 3.12Å; D65-R67 WeakPolarHBondContact OD1-CB 3.45Å; D65-R67 VanDerWaalsContact OD1-CG 3.23Å; D65-R67 WeakPolarHBondContact OD1-CG 3.33Å; D65-R67 IonicContact OD1-CZ 3.1Å; D65-R67 PolarHBondContact OD1-N 3.15Å; D65-R67 IonicContact OD1-NE 3.88Å; D65-R67 PolarHBondContact OD1-NE 2.95Å; D65-R67 IonicContact OD2-CZ 2.67Å; D65-R67 IonicContact OD2-NE 3.42Å; D65-R67 PolarHBondContact OD2-NE 2.86Å; D65-R67 IonicContact OD2-NH2 3.02Å; D65-R67 PolarHBondContact OD2-NH2 3.49Å; D65-I68 PolarHBondContact O-N 3.42Å
66	N	86.5	Confident	92.7	Very high	157 Å²	157	63.3 Å²	63.3	84%	0.84	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.3	-178.8	-66.5	-26.5	0	0	0	113.8	I68	N66-I68 VanDerWaalsContact C-N 3.26Å
67	R	86.4	Confident	92.7	Very high	91 Å²	91	62.8 Å²	62.8	34%	0.343	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19	174.3	-58.2	174.1	-64.5	176.1	6.8	112.2	P6 V8 D65 T386	P6-R67 HydrophobicContact CG-CB 4.11Å; V8-R67 PolarHBondContact O-NH2 3.24Å; D65-R67 PolarHBondContact O-N 3.09Å; D65-R67 VanDerWaalsContact O-N 3.12Å; D65-R67 WeakPolarHBondContact OD1-CB 3.45Å; D65-R67 VanDerWaalsContact OD1-CG 3.23Å; D65-R67 WeakPolarHBondContact OD1-CG 3.33Å; D65-R67 IonicContact OD1-CZ 3.1Å; D65-R67 PolarHBondContact OD1-N 3.15Å; D65-R67 IonicContact OD1-NE 3.88Å; D65-R67 PolarHBondContact OD1-NE 2.95Å; D65-R67 IonicContact OD2-CZ 2.67Å; D65-R67 IonicContact OD2-NE 3.42Å; D65-R67 PolarHBondContact OD2-NE 2.86Å; D65-R67 IonicContact OD2-NH2 3.02Å; D65-R67 PolarHBondContact OD2-NH2 3.49Å; R67-T386 VanDerWaalsContact NH1-CG2 3.29Å
68	I	85.4	Confident	92.8	Very high	14 Å²	14	60 Å²	60	7%	0.072	30%	0.3	C	S	.	.	S	Bend	trans	-111.6	133.1	-179.5	-58.9	174.6	0	0	0	107.3	P6 F9 I63 D65 N66 Q70	P6-I68 HydrophobicContact CB-CD1 4.25Å; P6-I68 HydrophobicContact CG-CD1 4.38Å; P6-I68 HydrophobicContact CG-CG1 4.12Å; F9-I68 HydrophobicContact CB-CD1 4.11Å; F9-I68 HydrophobicContact CD1-CD1 3.35Å; F9-I68 HydrophobicContact CD2-CD1 4.24Å; F9-I68 HydrophobicContact CE1-CD1 3.7Å; F9-I68 HydrophobicContact CG-CD1 3.64Å; F9-I68 HydrophobicContact CZ-CD1 4.28Å; I63-I68 HydrophobicContact CD1-CD1 4.46Å; I63-I68 HydrophobicContact CD1-CG2 3.92Å; I63-I68 HydrophobicContact CG2-CB 3.98Å; I63-I68 HydrophobicContact CG2-CD1 3.92Å; I63-I68 HydrophobicContact CG2-CG1 4.47Å; I63-I68 HydrophobicContact CG2-CG2 4.21Å; D65-I68 PolarHBondContact O-N 3.42Å; N66-I68 VanDerWaalsContact C-N 3.26Å; I68-Q70 PolarHBondContact O-N 3.43Å
69	S	84.6	Confident	92.9	Very high	73 Å²	73	58.5 Å²	58.5	51%	0.51	30%	0.3	S	S	.	.			trans	-53.7	141	173	56	0	0	0	0	110.2	K71	S69-K71 WeakPolarHBondContact O-CB 3.33Å; S69-K71 WeakPolarHBondContact O-CG 3.39Å; S69-K71 PolarHBondContact O-N 3.44Å; S69-K71 WeakPolarHBondContact OG-CE 3.38Å
70	Q	82.2	Confident	92.9	Very high	153 Å²	153	59.6 Å²	59.6	72%	0.715	30%	0.304	S	S	*	.	S	Bend	trans	-50.3	99.6	-179.7	-68.7	-68.4	-42.3	0	0	111.5	I68	I68-Q70 PolarHBondContact O-N 3.43Å
71	K	90.4	Very high	92.8	Very high	48 Å²	48	61.2 Å²	61.2	21%	0.209	31%	0.311	C	S	.	.			trans	-138.9	155.1	-177.6	-74	-175.7	-175.9	-173.5	0	109.3	I63 S69 Q75 E79	I63-K71 PolarHBondContact N-O 2.74Å; I63-K71 VanDerWaalsContact N-O 3.14Å; S69-K71 WeakPolarHBondContact O-CB 3.33Å; S69-K71 WeakPolarHBondContact O-CG 3.39Å; S69-K71 PolarHBondContact O-N 3.44Å; S69-K71 WeakPolarHBondContact OG-CE 3.38Å; K71-Q75 HydrophobicContact CB-CB 4.32Å; K71-E79 IonicContact NZ-OE1 2.7Å; K71-E79 PolarHBondContact NZ-OE1 2.9Å; K71-E79 IonicContact NZ-OE2 3.48Å; K71-E79 PolarHBondContact NZ-OE2 3.44Å
72	T	96.9	Very high	92.7	Very high	29 Å²	29	65.3 Å²	65.3	18%	0.178	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-78.5	163.2	163.2	68.2	0	0	0	0	110.5	D60 A61 G74 Q75 W76	D60-T72 HydrophobicContact CB-CG2 4.36Å; D60-T72 VanDerWaalsContact CG-OG1 3.3Å; D60-T72 WeakPolarHBondContact OD2-CB 3.42Å; D60-T72 PolarHBondContact OD2-OG1 3.38Å; A61-T72 CarbonylContact O-C 3.53Å; A61-T72 VanDerWaalsContact O-CA 3.28Å; A61-T72 WeakPolarHBondContact O-CA 3.37Å; T72-G74 VanDerWaalsContact C-N 3.32Å; T72-G74 PolarHBondContact O-N 3.17Å; T72-Q75 VanDerWaalsContact N-OE1 3.08Å; T72-Q75 PolarHBondContact O-N 3.24Å; T72-Q75 VanDerWaalsContact OG1-CG 3.26Å; T72-Q75 WeakPolarHBondContact OG1-CG 3.3Å; T72-Q75 PolarHBondContact OG1-N 2.87Å; T72-Q75 PolarHBondContact OG1-OE1 3.31Å; T72-W76 PolarHBondContact O-N 3.47Å
73	L	97.8	Very high	92.7	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-42.6	178.4	179.8	61.9	0	0	0	110.5	F9 L11 T55 D60 A61 Q75 W76 I77 I371 F399	F9-L73 HydrophobicContact CE2-CD1 4.08Å; F9-L73 HydrophobicContact CZ-CD1 4.22Å; L11-L73 HydrophobicContact CD1-CD2 3.97Å; L11-L73 HydrophobicContact CD2-CB 4.44Å; L11-L73 HydrophobicContact CD2-CD1 4.34Å; T55-L73 HydrophobicContact CG2-CB 4.18Å; T55-L73 HydrophobicContact CG2-CD2 3.97Å; T55-L73 HydrophobicContact CG2-CG 3.77Å; D60-L73 PolarHBondContact OD1-N 3.03Å; A61-L73 HydrophobicContact CB-CB 4.28Å; A61-L73 PolarHBondContact O-N 3.37Å; L73-Q75 PolarHBondContact O-N 3.43Å; L73-W76 PolarHBondContact O-N 3.12Å; L73-I77 HydrophobicContact CD1-CD1 3.89Å; L73-I77 HydrophobicContact CD1-CG1 4.1Å; L73-I77 HydrophobicContact CD2-CD1 4.43Å; L73-I77 HydrophobicContact CG-CD1 3.83Å; L73-I77 HydrophobicContact CG-CG1 4.39Å; L73-I77 WeakPolarHBondContact O-CB 3.14Å; L73-I77 WeakPolarHBondContact O-CG1 3.35Å; L73-I77 PolarHBondContact O-N 3.29Å; L73-I371 HydrophobicContact CD2-CD1 4.29Å; L73-F399 HydrophobicContact CD1-CB 4.32Å; L73-F399 HydrophobicContact CD1-CD1 4.36Å; L73-F399 HydrophobicContact CD1-CD2 3.66Å; L73-F399 HydrophobicContact CD1-CE2 3.98Å; L73-F399 HydrophobicContact CD1-CG 3.85Å; L73-F399 HydrophobicContact CD1-CZ 4.46Å; L73-F399 HydrophobicContact CD2-CD2 4.13Å
74	G	97.4	Very high	92.8	Very high	20 Å²	20	58.8 Å²	58.8	21%	0.206	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-45.2	176.7	0	0	0	0	0	112.7	D60 T72 W76 I77 A78	D60-G74 PolarHBondContact OD1-N 3.14Å; D60-G74 PolarHBondContact OD2-N 3.38Å; T72-G74 VanDerWaalsContact C-N 3.32Å; T72-G74 PolarHBondContact O-N 3.17Å; G74-W76 PolarHBondContact O-N 3.47Å; G74-I77 PolarHBondContact O-N 3.15Å; G74-A78 PolarHBondContact O-N 2.98Å
75	Q	96.7	Very high	93.1	Very high	105 Å²	105	52 Å²	52	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-62.4	-42.1	176.2	-71.8	170.3	-15.6	0	0	112.3	K71 T72 L73	K71-Q75 HydrophobicContact CB-CB 4.32Å; T72-Q75 VanDerWaalsContact N-OE1 3.08Å; T72-Q75 PolarHBondContact O-N 3.24Å; T72-Q75 VanDerWaalsContact OG1-CG 3.26Å; T72-Q75 WeakPolarHBondContact OG1-CG 3.3Å; T72-Q75 PolarHBondContact OG1-N 2.87Å; T72-Q75 PolarHBondContact OG1-OE1 3.31Å; L73-Q75 PolarHBondContact O-N 3.43Å
76	W	96.9	Very high	93.4	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.027	30%	0.295	C	S	.	.	H	α-helix	trans	-68.2	-42.4	179	-175.4	93.5	0	0	0	112	A5 P6 F9 I63 T72 L73 G74 A78 E79 N80 S83 F399	A5-W76 HydrophobicContact CB-CZ2 4.28Å; P6-W76 VanDerWaalsContact O-CZ2 3.26Å; P6-W76 WeakPolarHBondContact O-CZ2 3.45Å; F9-W76 HydrophobicContact CE1-CD2 4.18Å; F9-W76 AromaticContact CE1-CE2 3.89Å; F9-W76 HydrophobicContact CE1-CE3 4.28Å; F9-W76 AromaticContact CE1-CH2 3.9Å; F9-W76 HydrophobicContact CE1-CH2 3.9Å; F9-W76 AromaticContact CE1-CZ2 3.76Å; F9-W76 HydrophobicContact CE1-CZ2 3.76Å; F9-W76 HydrophobicContact CE1-CZ3 4.15Å; F9-W76 AromaticContact CZ-CD2 3.87Å; F9-W76 HydrophobicContact CZ-CD2 3.87Å; F9-W76 AromaticContact CZ-CE3 3.84Å; F9-W76 HydrophobicContact CZ-CE3 3.84Å; F9-W76 HydrophobicContact CZ-CG 4.47Å; F9-W76 HydrophobicContact CZ-CH2 4.26Å; F9-W76 HydrophobicContact CZ-CZ2 4.27Å; F9-W76 HydrophobicContact CZ-CZ3 4.04Å; I63-W76 HydrophobicContact CD1-CB 3.54Å; I63-W76 HydrophobicContact CD1-CG 3.69Å; T72-W76 PolarHBondContact O-N 3.47Å; L73-W76 PolarHBondContact O-N 3.12Å; G74-W76 PolarHBondContact O-N 3.47Å; W76-A78 VanDerWaalsContact C-N 3.33Å; W76-A78 PolarHBondContact O-N 2.7Å; W76-E79 PolarHBondContact O-N 2.85Å; W76-N80 HydrophobicContact CD2-CB 4.31Å; W76-N80 HydrophobicContact CE3-CB 4.14Å; W76-N80 HydrophobicContact CH2-CB 3.84Å; W76-N80 HydrophobicContact CZ2-CB 4.01Å; W76-N80 HydrophobicContact CZ3-CB 3.92Å; W76-N80 WeakPolarHBondContact O-CB 3.5Å; W76-N80 PolarHBondContact O-N 3.22Å; W76-N80 VanDerWaalsContact O-N 3.1Å; W76-N80 PolarHBondContact O-ND2 2.93Å; W76-S83 WeakPolarHBondContact CZ3-OG 3.47Å; W76-F399 HydrophobicContact CE3-CE1 4.37Å; W76-F399 HydrophobicContact CH2-CE1 4.14Å; W76-F399 HydrophobicContact CZ3-CD1 4.42Å; W76-F399 AromaticContact CZ3-CE1 3.59Å; W76-F399 HydrophobicContact CZ3-CE1 3.59Å; W76-F399 HydrophobicContact CZ3-CZ 4.08Å
77	I	97	Very high	93.9	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-39.2	177.2	-73.2	176.1	0	0	0	111.1	T55 L73 G74 E79 N80 Q81 L84 L96 F399	T55-I77 HydrophobicContact CG2-CD1 3.88Å; L73-I77 HydrophobicContact CD1-CD1 3.89Å; L73-I77 HydrophobicContact CD1-CG1 4.1Å; L73-I77 HydrophobicContact CD2-CD1 4.43Å; L73-I77 HydrophobicContact CG-CD1 3.83Å; L73-I77 HydrophobicContact CG-CG1 4.39Å; L73-I77 WeakPolarHBondContact O-CB 3.14Å; L73-I77 WeakPolarHBondContact O-CG1 3.35Å; L73-I77 PolarHBondContact O-N 3.29Å; G74-I77 PolarHBondContact O-N 3.15Å; I77-E79 PolarHBondContact O-N 2.99Å; I77-E79 VanDerWaalsContact O-N 3.14Å; I77-N80 CarbonylContact O-C 3.57Å; I77-N80 PolarHBondContact O-N 3.09Å; I77-Q81 WeakPolarHBondContact O-CA 3.27Å; I77-Q81 WeakPolarHBondContact O-CG 3.36Å; I77-Q81 PolarHBondContact O-N 2.79Å; I77-L84 HydrophobicContact CD1-CD2 4.2Å; I77-L84 HydrophobicContact CG2-CD1 3.9Å; I77-L84 HydrophobicContact CG2-CD2 3.98Å; I77-L84 HydrophobicContact CG2-CG 4.02Å; I77-L96 HydrophobicContact CD1-CB 4.37Å; I77-F399 HydrophobicContact CD1-CE2 3.99Å; I77-F399 HydrophobicContact CD1-CZ 4.26Å; I77-F399 HydrophobicContact CG1-CZ 4.39Å
78	A	96.1	Very high	94.5	Very high	64 Å²	64	47.6 Å²	47.6	53%	0.529	26%	0.259	S	S	.	.	H	α-helix	trans	-57.7	-29.8	177.9	0	0	0	0	0	113.1	G74 W76	G74-A78 PolarHBondContact O-N 2.98Å; W76-A78 VanDerWaalsContact C-N 3.33Å; W76-A78 PolarHBondContact O-N 2.7Å
79	E	94.9	Very high	95	Very high	122 Å²	122	50.5 Å²	50.5	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-92.8	-15.4	176.9	-63.5	172	-174.2	0	0	113.6	K71 W76 I77	K71-E79 IonicContact NZ-OE1 2.7Å; K71-E79 PolarHBondContact NZ-OE1 2.9Å; K71-E79 IonicContact NZ-OE2 3.48Å; K71-E79 PolarHBondContact NZ-OE2 3.44Å; W76-E79 PolarHBondContact O-N 2.85Å; I77-E79 PolarHBondContact O-N 2.99Å; I77-E79 VanDerWaalsContact O-N 3.14Å
80	N	95.4	Very high	95.6	Very high	30 Å²	30	52.5 Å²	52.5	16%	0.16	28%	0.276	C	S	.	.			trans	-131.3	45	-173.3	-59.9	-89.9	0	0	0	110.4	W76 I77 D82 S83	W76-N80 HydrophobicContact CD2-CB 4.31Å; W76-N80 HydrophobicContact CE3-CB 4.14Å; W76-N80 HydrophobicContact CH2-CB 3.84Å; W76-N80 HydrophobicContact CZ2-CB 4.01Å; W76-N80 HydrophobicContact CZ3-CB 3.92Å; W76-N80 WeakPolarHBondContact O-CB 3.5Å; W76-N80 PolarHBondContact O-N 3.22Å; W76-N80 VanDerWaalsContact O-N 3.1Å; W76-N80 PolarHBondContact O-ND2 2.93Å; I77-N80 CarbonylContact O-C 3.57Å; I77-N80 PolarHBondContact O-N 3.09Å; N80-D82 PolarHBondContact O-N 3.15Å; N80-D82 VanDerWaalsContact O-N 3.08Å; N80-S83 WeakPolarHBondContact O-CB 3.41Å; N80-S83 PolarHBondContact O-N 2.99Å; N80-S83 PolarHBondContact O-OG 3.18Å
81	Q	96.1	Very high	96.3	Very high	74 Å²	74	48.9 Å²	48.9	35%	0.346	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-60.6	-22.7	-172.9	-69.5	-174.9	-17.9	0	0	113.7	I77 S83 L84 K89	I77-Q81 WeakPolarHBondContact O-CA 3.27Å; I77-Q81 WeakPolarHBondContact O-CG 3.36Å; I77-Q81 PolarHBondContact O-N 2.79Å; Q81-S83 PolarHBondContact O-N 3.12Å; Q81-L84 WeakPolarHBondContact O-CB 3.31Å; Q81-L84 PolarHBondContact O-N 3.14Å; Q81-L84 VanDerWaalsContact O-N 3.15Å; Q81-K89 HydrophobicContact CB-CD 4.17Å; Q81-K89 HydrophobicContact CB-CG 4.32Å
82	D	95	Very high	96.6	Very high	86 Å²	86	48.4 Å²	48.4	46%	0.46	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-67.6	-16.3	173.9	67.3	-37.2	0	0	0	113.1	R7 N80 L84	R7-D82 IonicContact CZ-OD2 3.66Å; R7-D82 IonicContact NH1-OD2 3.9Å; R7-D82 IonicContact NH2-OD1 3.54Å; R7-D82 IonicContact NH2-OD2 3.56Å; R7-D82 PolarHBondContact NH2-OD2 3.45Å; N80-D82 PolarHBondContact O-N 3.15Å; N80-D82 VanDerWaalsContact O-N 3.08Å; D82-L84 PolarHBondContact O-N 3.49Å
83	S	95.8	Very high	96.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-67.1	-16.2	169.4	70.2	0	0	0	0	113.8	W76 N80 Q81 G85 A402	W76-S83 WeakPolarHBondContact CZ3-OG 3.47Å; N80-S83 WeakPolarHBondContact O-CB 3.41Å; N80-S83 PolarHBondContact O-N 2.99Å; N80-S83 PolarHBondContact O-OG 3.18Å; Q81-S83 PolarHBondContact O-N 3.12Å; S83-G85 VanDerWaalsContact C-N 3.33Å; S83-A402 WeakPolarHBondContact O-CB 3.2Å; S83-A402 PolarHBondContact O-N 3.47Å
84	L	97.6	Very high	96.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-76.5	-19.9	179.6	-66.8	172.5	0	0	0	113.4	I77 Q81 D82 V88 K89 G94 L96 S368 A369	I77-L84 HydrophobicContact CD1-CD2 4.2Å; I77-L84 HydrophobicContact CG2-CD1 3.9Å; I77-L84 HydrophobicContact CG2-CD2 3.98Å; I77-L84 HydrophobicContact CG2-CG 4.02Å; Q81-L84 WeakPolarHBondContact O-CB 3.31Å; Q81-L84 PolarHBondContact O-N 3.14Å; Q81-L84 VanDerWaalsContact O-N 3.15Å; D82-L84 PolarHBondContact O-N 3.49Å; L84-V88 HydrophobicContact CB-CB 4.41Å; L84-V88 HydrophobicContact CB-CG1 4.33Å; L84-V88 WeakPolarHBondContact O-CB 3.25Å; L84-K89 HydrophobicContact CB-CB 4.37Å; L84-G94 WeakPolarHBondContact CD1-O 3.26Å; L84-L96 HydrophobicContact CD2-CD1 4.2Å; L84-S368 VanDerWaalsContact O-CA 3.32Å; L84-S368 WeakPolarHBondContact O-CA 3.16Å; L84-A369 HydrophobicContact CD2-CB 3.94Å; L84-A369 PolarHBondContact O-N 3.04Å
85	G	96.8	Very high	96.5	Very high	2 Å²	2	57 Å²	57	2%	0.021	30%	0.303	C	S	.	.			trans	89.4	143.6	-163	0	0	0	0	0	110.4	S83 K87 V88 K89 A402	S83-G85 VanDerWaalsContact C-N 3.33Å; G85-K87 PolarHBondContact O-N 2.9Å; G85-V88 PolarHBondContact O-N 3.43Å; G85-K89 VanDerWaalsContact O-CB 3.28Å; G85-K89 WeakPolarHBondContact O-CB 3.45Å; G85-K89 PolarHBondContact O-N 2.97Å; G85-A402 VanDerWaalsContact N-CB 3.28Å
86	S	95.9	Very high	96.6	Very high	70 Å²	70	52.2 Å²	52.2	49%	0.49	28%	0.281	S	S	.	.	H	α-helix	trans	-61.7	-47.5	-169.6	55.3	0	0	0	0	112.2	K89 D90	S86-K89 PolarHBondContact O-N 3.01Å; S86-D90 WeakPolarHBondContact O-CB 3.49Å; S86-D90 VanDerWaalsContact O-CG 3.24Å; S86-D90 PolarHBondContact O-N 2.58Å
87	K	97.1	Very high	96.6	Very high	97 Å²	97	52.2 Å²	52.2	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-43.7	-179.5	-64	-179.8	-177.8	177.6	0	113.1	G85 D90 T91 L425	G85-K87 PolarHBondContact O-N 2.9Å; K87-D90 PolarHBondContact O-N 3.1Å; K87-T91 VanDerWaalsContact O-CB 3.25Å; K87-T91 WeakPolarHBondContact O-CB 3.48Å; K87-T91 PolarHBondContact O-N 3.11Å; K87-T91 PolarHBondContact O-OG1 3.03Å; K87-L425 HydrophobicContact CB-CB 4.05Å; K87-L425 VanDerWaalsContact CD-C 3.46Å; K87-L425 HydrophobicContact CD-CB 4.26Å; K87-L425 WeakPolarHBondContact CD-O 3.35Å; K87-L425 WeakPolarHBondContact CD-OXT 3.43Å; K87-L425 PolarHBondContact NZ-O 2.96Å; K87-L425 PolarHBondContact NZ-OXT 3.05Å
88	V	97.8	Very high	96.7	Very high	2 Å²	2	52 Å²	52	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-46.9	178.2	-178.3	0	0	0	0	110.1	L84 G85 D90 T91 F92 P97 C423 L425	L84-V88 HydrophobicContact CB-CB 4.41Å; L84-V88 HydrophobicContact CB-CG1 4.33Å; L84-V88 WeakPolarHBondContact O-CB 3.25Å; G85-V88 PolarHBondContact O-N 3.43Å; V88-D90 VanDerWaalsContact C-N 3.33Å; V88-D90 PolarHBondContact O-N 2.89Å; V88-T91 PolarHBondContact O-N 3.38Å; V88-F92 HydrophobicContact CG1-CD2 4.06Å; V88-F92 WeakPolarHBondContact O-CB 3.47Å; V88-F92 PolarHBondContact O-N 3.22Å; V88-P97 HydrophobicContact CG1-CG 4.06Å; V88-C423 HydrophobicContact CG1-CB 4.5Å; V88-C423 HydrophobicContact CG2-CB 4.12Å; V88-L425 HydrophobicContact CG2-CD1 4.48Å
89	K	97.1	Very high	96.8	Very high	75 Å²	75	49 Å²	49	33%	0.326	26%	0.256	S	S	.	.	H	α-helix	trans	-55.5	-48.8	175.7	176.6	-168.2	163.9	-166.5	0	111.1	Q81 L84 G85 S86 N93 G94	Q81-K89 HydrophobicContact CB-CD 4.17Å; Q81-K89 HydrophobicContact CB-CG 4.32Å; L84-K89 HydrophobicContact CB-CB 4.37Å; G85-K89 VanDerWaalsContact O-CB 3.28Å; G85-K89 WeakPolarHBondContact O-CB 3.45Å; G85-K89 PolarHBondContact O-N 2.97Å; S86-K89 PolarHBondContact O-N 3.01Å; K89-N93 CarbonylContact O-C 3.55Å; K89-N93 WeakPolarHBondContact O-CA 3.37Å; K89-N93 PolarHBondContact O-N 3.24Å; K89-G94 PolarHBondContact O-N 3.1Å
90	D	97.3	Very high	97	Very high	114 Å²	114	43.2 Å²	43.2	61%	0.61	23%	0.229	S	C	*	.	H	α-helix	trans	-71.1	-37.9	-175.7	-67.3	-14.8	0	0	0	111.9	S86 K87 V88	S86-D90 WeakPolarHBondContact O-CB 3.49Å; S86-D90 VanDerWaalsContact O-CG 3.24Å; S86-D90 PolarHBondContact O-N 2.58Å; K87-D90 PolarHBondContact O-N 3.1Å; V88-D90 VanDerWaalsContact C-N 3.33Å; V88-D90 PolarHBondContact O-N 2.89Å
91	T	97.1	Very high	97.2	Very high	77 Å²	77	42.2 Å²	42.2	47%	0.472	22%	0.223	S	C	.	.	H	α-helix	trans	-75	-36.4	-177.8	-59.8	0	0	0	0	112.4	K87 V88 L425	K87-T91 VanDerWaalsContact O-CB 3.25Å; K87-T91 WeakPolarHBondContact O-CB 3.48Å; K87-T91 PolarHBondContact O-N 3.11Å; K87-T91 PolarHBondContact O-OG1 3.03Å; V88-T91 PolarHBondContact O-N 3.38Å; T91-L425 HydrophobicContact CG2-CD1 3.81Å
92	F	96.6	Very high	97.3	Very high	38 Å²	38	38.7 Å²	38.7	17%	0.167	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	22.4	-174.9	-61.3	-77.6	0	0	0	113.5	V88 G94 N95 P97 P345 L425	V88-F92 HydrophobicContact CG1-CD2 4.06Å; V88-F92 WeakPolarHBondContact O-CB 3.47Å; V88-F92 PolarHBondContact O-N 3.22Å; F92-G94 VanDerWaalsContact C-N 3.28Å; F92-G94 PolarHBondContact O-N 2.96Å; F92-N95 WeakPolarHBondContact O-CB 3.22Å; F92-N95 PolarHBondContact O-N 3.17Å; F92-N95 VanDerWaalsContact O-N 3.11Å; F92-N95 PolarHBondContact O-ND2 2.83Å; F92-P97 HydrophobicContact CB-CB 4.25Å; F92-P97 HydrophobicContact CD1-CB 3.6Å; F92-P97 HydrophobicContact CD2-CB 3.56Å; F92-P97 HydrophobicContact CD2-CG 3.82Å; F92-P97 HydrophobicContact CE1-CB 3.65Å; F92-P97 HydrophobicContact CE2-CB 3.6Å; F92-P97 HydrophobicContact CE2-CG 3.85Å; F92-P97 HydrophobicContact CG-CB 3.55Å; F92-P97 HydrophobicContact CG-CG 4.24Å; F92-P97 HydrophobicContact CZ-CB 3.65Å; F92-P97 HydrophobicContact CZ-CG 4.33Å; F92-P345 HydrophobicContact CZ-CB 4.11Å; F92-P345 HydrophobicContact CZ-CG 4.23Å; F92-L425 HydrophobicContact CD2-CD1 4.17Å; F92-L425 HydrophobicContact CE2-CD1 3.62Å
93	N	96.1	Very high	97.5	Very high	134 Å²	134	34.6 Å²	34.6	72%	0.717	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	41.2	174.1	-57.2	-47.3	0	0	0	113.5	K89 N95	K89-N93 CarbonylContact O-C 3.55Å; K89-N93 WeakPolarHBondContact O-CA 3.37Å; K89-N93 PolarHBondContact O-N 3.24Å; N93-N95 VanDerWaalsContact C-N 3.34Å; N93-N95 PolarHBondContact O-N 2.59Å; N93-N95 PolarHBondContact O-ND2 3.48Å; N93-N95 VanDerWaalsContact O-ND2 3.1Å
94	G	96.6	Very high	97.6	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.031	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	21.8	179	0	0	0	0	0	114.9	L84 K89 F92	L84-G94 WeakPolarHBondContact CD1-O 3.26Å; K89-G94 PolarHBondContact O-N 3.1Å; F92-G94 VanDerWaalsContact C-N 3.28Å; F92-G94 PolarHBondContact O-N 2.96Å
95	N	96.8	Very high	97.7	Very high	94 Å²	94	34.6 Å²	34.6	50%	0.503	19%	0.185	S	C	.	.	S	Bend	trans	-110	154	175.9	-57.1	-75.6	0	0	0	111.6	F92 N93 P97	F92-N95 WeakPolarHBondContact O-CB 3.22Å; F92-N95 PolarHBondContact O-N 3.17Å; F92-N95 VanDerWaalsContact O-N 3.11Å; F92-N95 PolarHBondContact O-ND2 2.83Å; N93-N95 VanDerWaalsContact C-N 3.34Å; N93-N95 PolarHBondContact O-N 2.59Å; N93-N95 PolarHBondContact O-ND2 3.48Å; N93-N95 VanDerWaalsContact O-ND2 3.1Å; N95-P97 WeakPolarHBondContact O-CD 3.46Å
96	L	97.9	Very high	97.7	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	20%	0.199	C	C	.	.			trans	-69.8	122.3	166.3	-170.6	72.1	0	0	0	108.6	T55 I77 L84 F98 A369 I371	T55-L96 HydrophobicContact CG2-CB 4.2Å; T55-L96 HydrophobicContact CG2-CD2 4.28Å; I77-L96 HydrophobicContact CD1-CB 4.37Å; L84-L96 HydrophobicContact CD2-CD1 4.2Å; L96-F98 VanDerWaalsContact C-N 3.29Å; L96-F98 HydrophobicContact CD1-CD1 4.46Å; L96-F98 HydrophobicContact CD1-CE1 3.82Å; L96-F98 HydrophobicContact CD1-CZ 3.89Å; L96-F98 HydrophobicContact CD2-CE2 4.27Å; L96-F98 HydrophobicContact CD2-CZ 4.35Å; L96-F98 HydrophobicContact CG-CE1 4.27Å; L96-F98 HydrophobicContact CG-CZ 4.28Å; L96-F98 PolarHBondContact O-N 3Å; L96-A369 HydrophobicContact CD1-CB 4.33Å; L96-I371 HydrophobicContact CD2-CD1 3.93Å
97	P	97.9	Very high	97.8	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.039	19%	0.186	C	C	.	.			trans	-79.6	-8.4	-168.9	27.4	-32.6	0	0	0	115.2	V88 F92 N95 C291 D346 C423	V88-P97 HydrophobicContact CG1-CG 4.06Å; F92-P97 HydrophobicContact CB-CB 4.25Å; F92-P97 HydrophobicContact CD1-CB 3.6Å; F92-P97 HydrophobicContact CD2-CB 3.56Å; F92-P97 HydrophobicContact CD2-CG 3.82Å; F92-P97 HydrophobicContact CE1-CB 3.65Å; F92-P97 HydrophobicContact CE2-CB 3.6Å; F92-P97 HydrophobicContact CE2-CG 3.85Å; F92-P97 HydrophobicContact CG-CB 3.55Å; F92-P97 HydrophobicContact CG-CG 4.24Å; F92-P97 HydrophobicContact CZ-CB 3.65Å; F92-P97 HydrophobicContact CZ-CG 4.33Å; N95-P97 WeakPolarHBondContact O-CD 3.46Å; P97-C291 PolarHBondContact O-N 2.99Å; P97-D346 WeakPolarHBondContact CG-O 3.4Å; P97-C423 HydrophobicContact CG-CB 3.82Å
98	F	98.7	Very high	97.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	157.3	-173.2	65.6	-100.2	0	0	0	113.1	L96 F100 M289 C291 F347 I371 A421	L96-F98 VanDerWaalsContact C-N 3.29Å; L96-F98 HydrophobicContact CD1-CD1 4.46Å; L96-F98 HydrophobicContact CD1-CE1 3.82Å; L96-F98 HydrophobicContact CD1-CZ 3.89Å; L96-F98 HydrophobicContact CD2-CE2 4.27Å; L96-F98 HydrophobicContact CD2-CZ 4.35Å; L96-F98 HydrophobicContact CG-CE1 4.27Å; L96-F98 HydrophobicContact CG-CZ 4.28Å; L96-F98 PolarHBondContact O-N 3Å; F98-F100 HydrophobicContact CD2-CB 4.23Å; F98-F100 HydrophobicContact CE2-CB 4.21Å; F98-M289 CarbonylContact C-O 3.48Å; F98-M289 WeakPolarHBondContact CA-O 3.24Å; F98-M289 WeakPolarHBondContact CB-O 3.43Å; F98-C291 VanDerWaalsContact C-SG 3.53Å; F98-F347 HydrophobicContact CB-CB 3.8Å; F98-F347 HydrophobicContact CB-CD1 4.39Å; F98-F347 HydrophobicContact CB-CG 4.44Å; F98-F347 HydrophobicContact CD1-CB 4.18Å; F98-F347 HydrophobicContact CG-CB 4.12Å; F98-I371 HydrophobicContact CE2-CD1 4.19Å; F98-I371 HydrophobicContact CE2-CG1 4.35Å; F98-A421 HydrophobicContact CD2-CB 4.03Å; F98-A421 HydrophobicContact CE2-CB 3.55Å; F98-A421 HydrophobicContact CZ-CB 4.01Å; F98-A421 WeakPolarHBondContact CZ-O 3.42Å
99	L	98.7	Very high	97.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121	165.7	176.4	59.1	0	0	0	108.6	W52 H56 K101 M289	W52-L99 HydrophobicContact CB-CD1 4.25Å; W52-L99 HydrophobicContact CD2-CD2 4.04Å; W52-L99 HydrophobicContact CE3-CD2 4.07Å; W52-L99 HydrophobicContact CG-CD1 4.44Å; W52-L99 HydrophobicContact CZ3-CD2 4.33Å; H56-L99 HydrophobicContact CB-CD1 4.1Å; H56-L99 HydrophobicContact CB-CD2 3.99Å; L99-K101 HydrophobicContact CD2-CD 4.37Å; L99-K101 HydrophobicContact CD2-CG 4.42Å; L99-K101 HydrophobicContact CG-CD 4.45Å; L99-K101 HydrophobicContact CG-CG 3.99Å; L99-M289 HydrophobicContact CB-CG 4.07Å; L99-M289 HydrophobicContact CD2-SD 4.43Å; L99-M289 PolarHBondContact N-O 3.44Å; L99-M289 PolarHBondContact O-N 3.01Å; L99-M289 VanDerWaalsContact O-N 3.12Å
100	F	98.9	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.6	178.5	-172.9	-135.9	0	0	0	110.1	M53 F98 V286 E287 C288 I349 I371 L373 F419 A421	M53-F100 WeakPolarHBondContact CA-O 3.38Å; M53-F100 HydrophobicContact CB-CB 4.27Å; M53-F100 HydrophobicContact CB-CD1 4.33Å; M53-F100 WeakPolarHBondContact CB-O 3.35Å; M53-F100 HydrophobicContact CE-CB 4.37Å; M53-F100 HydrophobicContact CE-CD1 3.36Å; M53-F100 HydrophobicContact CE-CE1 3.69Å; M53-F100 HydrophobicContact CE-CG 3.83Å; M53-F100 HydrophobicContact CE-CZ 4.41Å; M53-F100 PolarHBondContact N-O 2.71Å; M53-F100 PolarHBondContact O-N 2.99Å; M53-F100 VanDerWaalsContact O-N 3.07Å; M53-F100 HydrophobicContact SD-CD1 3.74Å; M53-F100 HydrophobicContact SD-CE1 4.06Å; F98-F100 HydrophobicContact CD2-CB 4.23Å; F98-F100 HydrophobicContact CE2-CB 4.21Å; F100-V286 HydrophobicContact CD2-CG1 4.19Å; F100-V286 HydrophobicContact CE2-CG1 3.13Å; F100-V286 HydrophobicContact CZ-CG1 3.5Å; F100-E287 VanDerWaalsContact CD2-O 3.28Å; F100-E287 WeakPolarHBondContact CD2-O 3.2Å; F100-C288 HydrophobicContact CD2-CB 4.1Å; F100-I349 HydrophobicContact CE2-CD1 4.38Å; F100-I349 HydrophobicContact CE2-CG2 4.47Å; F100-I371 HydrophobicContact CD1-CB 4.44Å; F100-I371 HydrophobicContact CD1-CG2 4.03Å; F100-L373 HydrophobicContact CE1-CB 3.83Å; F100-L373 HydrophobicContact CE1-CD2 4.45Å; F100-F419 HydrophobicContact CE1-CB 4.45Å; F100-F419 HydrophobicContact CZ-CB 3.72Å; F100-A421 HydrophobicContact CB-CB 3.85Å; F100-A421 HydrophobicContact CD1-CB 3.98Å; F100-A421 HydrophobicContact CD2-CB 3.56Å; F100-A421 HydrophobicContact CE1-CB 4.41Å; F100-A421 HydrophobicContact CE2-CB 4Å; F100-A421 HydrophobicContact CG-CB 3.55Å; F100-A421 HydrophobicContact CZ-CB 4.44Å
101	K	98.8	Very high	97.9	Very high	9 Å²	9	24.3 Å²	24.3	4%	0.039	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.2	-175.1	-50.8	-177.5	-160.7	149.8	0	114.1	L51 W52 M53 L99 L103 V286 E287 M289	L51-K101 WeakPolarHBondContact O-CA 3.34Å; L51-K101 WeakPolarHBondContact O-CB 3.38Å; W52-K101 HydrophobicContact CG-CG 4.46Å; M53-K101 VanDerWaalsContact CE-C 3.49Å; L99-K101 HydrophobicContact CD2-CD 4.37Å; L99-K101 HydrophobicContact CD2-CG 4.42Å; L99-K101 HydrophobicContact CG-CD 4.45Å; L99-K101 HydrophobicContact CG-CG 3.99Å; K101-L103 HydrophobicContact CB-CD1 3.69Å; K101-L103 HydrophobicContact CD-CD1 4.06Å; K101-V286 WeakPolarHBondContact O-CA 3.08Å; K101-E287 HydrophobicContact CB-CB 4.34Å; K101-E287 VanDerWaalsContact CD-OE2 3.3Å; K101-E287 WeakPolarHBondContact CD-OE2 3.16Å; K101-E287 WeakPolarHBondContact CE-OE2 3.23Å; K101-E287 PolarHBondContact N-O 3.41Å; K101-E287 IonicContact NZ-OE2 2.63Å; K101-E287 PolarHBondContact NZ-OE2 3.37Å; K101-E287 PolarHBondContact O-N 2.86Å; K101-M289 VanDerWaalsContact CE-SD 3.59Å; K101-M289 PolarHBondContact NZ-SD 2.83Å
102	V	98.9	Very high	98	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132	155.3	176.5	0	0	0	0	107.9	E28 V29 L32 E50 L51 M53 L144 C285 V286 L373	E28-V102 HydrophobicContact CG-CG1 4.11Å; V29-V102 HydrophobicContact CG2-CB 4.34Å; V29-V102 HydrophobicContact CG2-CG1 4.08Å; V29-V102 WeakPolarHBondContact CG2-O 3.38Å; L32-V102 HydrophobicContact CD1-CB 4Å; L32-V102 HydrophobicContact CD1-CG1 3.82Å; L32-V102 HydrophobicContact CD1-CG2 3.75Å; E50-V102 CarbonylContact C-O 3.52Å; E50-V102 VanDerWaalsContact CA-O 3.29Å; E50-V102 WeakPolarHBondContact CA-O 3.42Å; L51-V102 HydrophobicContact CB-CB 4.26Å; L51-V102 PolarHBondContact N-O 3.4Å; L51-V102 PolarHBondContact O-N 2.92Å; L51-V102 VanDerWaalsContact O-N 3.12Å; M53-V102 HydrophobicContact CE-CG2 4.21Å; V102-L144 HydrophobicContact CG1-CD1 3.95Å; V102-C285 CarbonylContact C-O 3.57Å; V102-C285 WeakPolarHBondContact CA-O 3.49Å; V102-V286 HydrophobicContact CG2-CG2 4.33Å; V102-L373 HydrophobicContact CG2-CD2 3.43Å; V102-L373 VanDerWaalsContact CG2-CD2 3.43Å
103	L	98.9	Very high	98.1	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.7	174.5	-75.1	65.1	0	0	0	109.5	W20 A49 E50 K101 V105 Y280 D284 C285 E287	W20-L103 HydrophobicContact CH2-CB 4.44Å; W20-L103 HydrophobicContact CH2-CD2 4.34Å; W20-L103 HydrophobicContact CH2-CG 4.22Å; A49-L103 CarbonylContact O-C 3.58Å; A49-L103 WeakPolarHBondContact O-CA 3.45Å; E50-L103 HydrophobicContact CG-CG 4.19Å; K101-L103 HydrophobicContact CB-CD1 3.69Å; K101-L103 HydrophobicContact CD-CD1 4.06Å; L103-V105 HydrophobicContact CB-CG2 4.25Å; L103-Y280 HydrophobicContact CD2-CD2 3.61Å; L103-Y280 HydrophobicContact CD2-CE2 3.59Å; L103-D284 VanDerWaalsContact O-CA 3.28Å; L103-D284 WeakPolarHBondContact O-CA 3.37Å; L103-C285 PolarHBondContact N-O 2.99Å; L103-C285 PolarHBondContact O-N 3.07Å; L103-E287 HydrophobicContact CD1-CB 3.52Å; L103-E287 HydrophobicContact CD1-CG 4.33Å
104	S	98.8	Very high	98.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	92.1	173.9	-164.7	0	0	0	0	110.2	G21 K22 S27 E28 A49 D284	G21-S104 CarbonylContact C-O 3.59Å; G21-S104 VanDerWaalsContact CA-O 3.27Å; G21-S104 WeakPolarHBondContact CA-O 3.41Å; K22-S104 VanDerWaalsContact CD-OG 3.32Å; K22-S104 WeakPolarHBondContact CD-OG 3.3Å; K22-S104 WeakPolarHBondContact CG-OG 3.43Å; K22-S104 PolarHBondContact N-O 3.3Å; S27-S104 VanDerWaalsContact CA-OG 3.32Å; S27-S104 WeakPolarHBondContact CA-OG 3.35Å; S27-S104 VanDerWaalsContact OG-CB 3.25Å; S27-S104 WeakPolarHBondContact OG-CB 3.5Å; S27-S104 PolarHBondContact OG-OG 3.15Å; E28-S104 PolarHBondContact N-OG 2.76Å; E28-S104 VanDerWaalsContact N-OG 3.11Å; A49-S104 PolarHBondContact O-N 2.76Å; S104-D284 VanDerWaalsContact CA-OD1 3.23Å; S104-D284 WeakPolarHBondContact CA-OD1 3.08Å; S104-D284 VanDerWaalsContact CB-OD1 3.29Å; S104-D284 WeakPolarHBondContact CB-OD1 3.41Å; S104-D284 PolarHBondContact OG-OD1 3.31Å
105	V	98.7	Very high	98.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.7	-167	-174	0	0	0	0	110.7	W20 K22 L103 T107 L109 F147 G283	W20-V105 HydrophobicContact CE3-CB 4.46Å; W20-V105 HydrophobicContact CE3-CG1 4.41Å; W20-V105 HydrophobicContact CE3-CG2 4.3Å; W20-V105 HydrophobicContact CZ3-CB 4.31Å; W20-V105 HydrophobicContact CZ3-CG2 3.77Å; K22-V105 WeakPolarHBondContact CE-O 3.44Å; L103-V105 HydrophobicContact CB-CG2 4.25Å; V105-T107 WeakPolarHBondContact CG1-O 3.41Å; V105-L109 HydrophobicContact CB-CD1 4.46Å; V105-L109 HydrophobicContact CG1-CD1 3.58Å; V105-L109 HydrophobicContact CG2-CD1 4.07Å; V105-F147 HydrophobicContact CG2-CE2 4.09Å; V105-G283 WeakPolarHBondContact CB-O 3.41Å; V105-G283 PolarHBondContact N-O 2.97Å; V105-G283 PolarHBondContact O-N 3.23Å
106	E	97.8	Very high	98.3	Very high	70 Å²	70	11.8 Å²	11.8	33%	0.327	6%	0.062	S	C	.	.	S	Bend	trans	-105.5	-44.4	171.2	-171.8	55.5	-137.3	0	0	112	W20 K22 K282	W20-E106 PolarHBondContact O-N 2.9Å; K22-E106 HydrophobicContact CB-CB 4.47Å; K22-E106 HydrophobicContact CG-CB 3.88Å; E106-K282 IonicContact OE1-NZ 3.89Å; E106-K282 PolarHBondContact OE1-NZ 2.94Å
107	T	96.7	Very high	98.2	Very high	35 Å²	35	15.5 Å²	15.5	22%	0.215	8%	0.078	C	C	.	.	S	Bend	trans	-108.1	140.3	178.1	-57.4	0	0	0	0	109.5	W20 V105 L109 Q246 Y247	W20-T107 PolarHBondContact O-N 3.32Å; V105-T107 WeakPolarHBondContact CG1-O 3.41Å; T107-L109 PolarHBondContact O-N 3.16Å; T107-Q246 HydrophobicContact CG2-CB 4.25Å; T107-Q246 HydrophobicContact CG2-CG 4.25Å; T107-Y247 HydrophobicContact CG2-CE2 4.05Å
108	P	97.9	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-51.7	134.4	176.8	-28.8	35.7	0	0	0	112.8	L243 Q246 Y247 Y280 L281 L300	P108-L243 HydrophobicContact CB-CD2 4.02Å; P108-L243 HydrophobicContact CG-CD2 3.55Å; P108-Q246 VanDerWaalsContact CD-CD 3.48Å; P108-Y247 HydrophobicContact CB-CE2 4.11Å; P108-Y247 PolarHBondContact O-OH 2.87Å; P108-Y280 CarbonylContact C-O 3.58Å; P108-Y280 VanDerWaalsContact CA-O 3.31Å; P108-Y280 WeakPolarHBondContact CA-O 3.22Å; P108-L281 HydrophobicContact CB-CD2 3.74Å; P108-L281 HydrophobicContact CG-CB 4.5Å; P108-L281 HydrophobicContact CG-CD2 4.16Å; P108-L300 HydrophobicContact CB-CD1 4.1Å
109	L	98.3	Very high	98.2	Very high	21 Å²	21	22.6 Å²	22.6	11%	0.11	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-75.5	168.7	169.9	-80.3	68.4	0	0	0	110	W20 V105 T107 I111 Y280	W20-L109 HydrophobicContact CD2-CD1 3.66Å; W20-L109 HydrophobicContact CD2-CG 4.18Å; W20-L109 HydrophobicContact CE3-CD1 3.67Å; W20-L109 HydrophobicContact CG-CD1 4.05Å; W20-L109 HydrophobicContact CG-CG 4.38Å; W20-L109 HydrophobicContact CH2-CD1 4.46Å; W20-L109 HydrophobicContact CZ2-CD1 4.44Å; W20-L109 HydrophobicContact CZ2-CD2 4.16Å; W20-L109 HydrophobicContact CZ3-CD1 4.12Å; V105-L109 HydrophobicContact CB-CD1 4.46Å; V105-L109 HydrophobicContact CG1-CD1 3.58Å; V105-L109 HydrophobicContact CG2-CD1 4.07Å; T107-L109 PolarHBondContact O-N 3.16Å; L109-I111 PolarHBondContact O-N 2.95Å; L109-Y280 HydrophobicContact CD2-CD2 4.31Å; L109-Y280 PolarHBondContact N-O 2.87Å
110	S	97.9	Very high	98.2	Very high	16 Å²	16	22.5 Å²	22.5	11%	0.112	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-58.6	139.2	175	55.3	0	0	0	0	111.3	Q112 G299 L300	S110-Q112 PolarHBondContact O-N 2.8Å; S110-Q112 PolarHBondContact OG-OE1 2.83Å; S110-G299 WeakPolarHBondContact CA-O 3.33Å; S110-L300 WeakPolarHBondContact CA-O 3.38Å
111	I	98.6	Very high	98.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	128	163.2	-53.7	175.8	0	0	0	107	L109 L150 A255 L259 H278 A279 R297 A298 G299 L300	L109-I111 PolarHBondContact O-N 2.95Å; I111-L150 HydrophobicContact CD1-CD1 4.26Å; I111-L150 HydrophobicContact CG1-CD1 4.41Å; I111-A255 HydrophobicContact CD1-CB 3.48Å; I111-A255 VanDerWaalsContact CD1-CB 3.48Å; I111-L259 HydrophobicContact CG2-CD1 3.83Å; I111-H278 CarbonylContact C-O 3.57Å; I111-H278 WeakPolarHBondContact CA-O 3.49Å; I111-A279 HydrophobicContact CB-CB 4.42Å; I111-A279 HydrophobicContact CG1-CB 3.92Å; I111-R297 CarbonylContact O-C 3.44Å; I111-R297 WeakPolarHBondContact O-CA 3.39Å; I111-A298 HydrophobicContact CB-CB 4.09Å; I111-A298 HydrophobicContact CG2-CB 3.82Å; I111-A298 PolarHBondContact O-N 3.27Å; I111-G299 PolarHBondContact N-O 3.47Å; I111-L300 HydrophobicContact CD1-CD1 4.11Å; I111-L300 HydrophobicContact CD1-CG 4.09Å; I111-L300 HydrophobicContact CG1-CD1 3.83Å; I111-L300 HydrophobicContact CG1-CG 3.96Å
112	Q	97.9	Very high	98.1	Very high	24 Å²	24	30.8 Å²	30.8	11%	0.112	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	160.9	-171.4	67.7	-170.9	12.1	0	0	112.4	S110 P277 H278 T295 V296	S110-Q112 PolarHBondContact O-N 2.8Å; S110-Q112 PolarHBondContact OG-OE1 2.83Å; Q112-P277 CarbonylContact O-C 3.58Å; Q112-P277 VanDerWaalsContact O-CA 3.29Å; Q112-P277 WeakPolarHBondContact O-CA 3.49Å; Q112-H278 WeakPolarHBondContact CG-NE2 3.28Å; Q112-H278 PolarHBondContact N-O 3.15Å; Q112-H278 PolarHBondContact NE2-NE2 3.39Å; Q112-H278 PolarHBondContact O-N 3.23Å; Q112-H278 PolarHBondContact O-ND1 3.07Å; Q112-T295 HydrophobicContact CB-CG2 3.64Å; Q112-T295 HydrophobicContact CG-CG2 4.26Å; Q112-V296 CarbonylContact C-O 3.57Å; Q112-V296 WeakPolarHBondContact CA-O 3.45Å
113	A	98.4	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.9	165.6	0	0	0	0	0	109.3	V296 M313 L314	A113-V296 PolarHBondContact N-O 2.93Å; A113-V296 PolarHBondContact O-N 2.81Å; A113-M313 HydrophobicContact CB-CE 4.49Å; A113-L314 HydrophobicContact CB-CD2 3.39Å
114	H	98.3	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.			trans	-112.9	134.3	179.7	-58.2	-54.2	0	0	0	110.5	K137 E139 A274 N275 H278 N294	H114-K137 HydrophobicContact CB-CB 3.82Å; H114-K137 WeakPolarHBondContact CB-O 3.27Å; H114-K137 PolarHBondContact CD2-O 3.09Å; H114-K137 VanDerWaalsContact CD2-O 3.23Å; H114-E139 IonicContact CD2-OE2 3.93Å; H114-E139 IonicContact NE2-OE1 2.98Å; H114-E139 IonicContact NE2-OE2 2.93Å; H114-E139 PolarHBondContact NE2-OE2 3.11Å; H114-A274 CarbonylContact O-C 3.43Å; H114-A274 WeakPolarHBondContact O-CA 3.2Å; H114-N275 PolarHBondContact O-N 2.9Å; H114-N275 PolarHBondContact O-OD1 3.49Å; H114-H278 AromaticContact CD2-CE1 3.46Å; H114-H278 PolarHBondContact CD2-CE1 3.42Å; H114-H278 VanDerWaalsContact CD2-CE1 3.46Å; H114-H278 AromaticContact CD2-NE2 3.92Å; H114-H278 AromaticContact NE2-CE1 3.35Å; H114-H278 PolarHBondContact NE2-CE1 2.93Å; H114-H278 VanDerWaalsContact NE2-CE1 3.35Å; H114-H278 AromaticContact NE2-NE2 3.36Å; H114-H278 PolarHBondContact NE2-NE2 2.86Å; H114-N294 PolarHBondContact ND1-O 2.96Å
115	P	98	Very high	98	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.			trans	-65.5	148.8	177.8	28	-34.2	0	0	0	110.8	L119 A120 L123 N294 M313	P115-L119 HydrophobicContact CB-CB 3.95Å; P115-L119 HydrophobicContact CB-CD2 3.91Å; P115-L119 HydrophobicContact CB-CG 3.87Å; P115-A120 HydrophobicContact CB-CB 4.28Å; P115-A120 HydrophobicContact CG-CB 3.92Å; P115-L123 HydrophobicContact CB-CD1 4.12Å; P115-L123 HydrophobicContact CG-CD1 4.27Å; P115-N294 HydrophobicContact CG-CB 4Å; P115-M313 HydrophobicContact CB-CE 3.84Å
116	N	97.8	Very high	98	Very high	59 Å²	59	47.8 Å²	47.8	32%	0.316	23%	0.232	S	C	.	.			trans	-64.7	169.4	163.5	71.7	14.3	0	0	0	110.2	E118 L119 A120 A274 N275	N116-E118 PolarHBondContact O-N 2.73Å; N116-L119 PolarHBondContact O-N 3.37Å; N116-L119 VanDerWaalsContact OD1-CB 3.23Å; N116-L119 WeakPolarHBondContact OD1-CB 3.35Å; N116-L119 PolarHBondContact OD1-N 3.38Å; N116-A120 WeakPolarHBondContact O-CB 3.32Å; N116-A120 PolarHBondContact O-N 3.43Å; N116-A274 HydrophobicContact CB-CB 3.89Å; N116-N275 PolarHBondContact N-OD1 2.74Å
117	K	96.8	Very high	97.9	Very high	83 Å²	83	45.3 Å²	45.3	36%	0.361	22%	0.224	S	C	.	.	H	α-helix	trans	-57.5	-46.1	-173.2	-175.4	62.5	174.2	177.5	0	112.9	L119 A120 E121 A134 N135 H136	K117-L119 PolarHBondContact O-N 2.72Å; K117-A120 WeakPolarHBondContact O-CB 3.29Å; K117-A120 PolarHBondContact O-N 3.25Å; K117-E121 WeakPolarHBondContact CE-OE1 3.47Å; K117-E121 WeakPolarHBondContact O-CG 3.32Å; K117-E121 PolarHBondContact O-N 2.88Å; K117-E121 VanDerWaalsContact O-N 3.11Å; K117-A134 WeakPolarHBondContact CE-O 3.32Å; K117-A134 PolarHBondContact NZ-O 3.31Å; K117-N135 PolarHBondContact NZ-OD1 2.89Å; K117-H136 HydrophobicContact CB-CB 4.28Å
118	E	97.9	Very high	97.9	Very high	114 Å²	114	46.8 Å²	46.8	53%	0.533	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-43.7	-179.9	-171.8	-168.7	158.6	0	0	112.2	N116 K122	N116-E118 PolarHBondContact O-N 2.73Å; E118-K122 WeakPolarHBondContact O-CG 3.3Å; E118-K122 PolarHBondContact O-N 3.46Å; E118-K122 WeakPolarHBondContact OE1-CE 3.23Å; E118-K122 IonicContact OE1-NZ 3.31Å; E118-K122 PolarHBondContact OE1-NZ 3.16Å
119	L	98.2	Very high	97.8	Very high	40 Å²	40	53.3 Å²	53.3	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-71	-36.8	178.4	-178.8	60.7	0	0	0	111.4	P115 N116 K117 E121 K122 L123 M313	P115-L119 HydrophobicContact CB-CB 3.95Å; P115-L119 HydrophobicContact CB-CD2 3.91Å; P115-L119 HydrophobicContact CB-CG 3.87Å; N116-L119 PolarHBondContact O-N 3.37Å; N116-L119 VanDerWaalsContact OD1-CB 3.23Å; N116-L119 WeakPolarHBondContact OD1-CB 3.35Å; N116-L119 PolarHBondContact OD1-N 3.38Å; K117-L119 PolarHBondContact O-N 2.72Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 3.36Å; L119-K122 PolarHBondContact O-N 2.7Å; L119-L123 HydrophobicContact CD1-CD1 4.08Å; L119-L123 HydrophobicContact CD1-CD2 4.39Å; L119-L123 HydrophobicContact CD1-CG 3.89Å; L119-L123 HydrophobicContact CD2-CD1 4.24Å; L119-L123 HydrophobicContact CG-CD1 3.72Å; L119-L123 HydrophobicContact CG-CG 4.03Å; L119-L123 WeakPolarHBondContact O-CB 3.29Å; L119-L123 VanDerWaalsContact O-CG 3.27Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 2.95Å; L119-M313 HydrophobicContact CD2-CB 3.5Å; L119-M313 VanDerWaalsContact CD2-CB 3.5Å; L119-M313 HydrophobicContact CD2-CE 4.11Å
120	A	98.3	Very high	97.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.6	-44.3	176.1	0	0	0	0	0	111.8	P115 N116 K117 K122 L123 H124 N135	P115-A120 HydrophobicContact CB-CB 4.28Å; P115-A120 HydrophobicContact CG-CB 3.92Å; N116-A120 WeakPolarHBondContact O-CB 3.32Å; N116-A120 PolarHBondContact O-N 3.43Å; K117-A120 WeakPolarHBondContact O-CB 3.29Å; K117-A120 PolarHBondContact O-N 3.25Å; A120-K122 PolarHBondContact O-N 2.85Å; A120-L123 PolarHBondContact O-N 3.34Å; A120-H124 VanDerWaalsContact O-CB 3.27Å; A120-H124 WeakPolarHBondContact O-CB 3.49Å; A120-H124 PolarHBondContact O-N 3.3Å; A120-N135 WeakPolarHBondContact CB-O 3.33Å
121	E	98.3	Very high	97.6	Very high	87 Å²	87	55.4 Å²	55.4	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-59.1	-46.9	175	-73.6	168.3	-175.7	0	0	111.8	K117 L119 L125 A134	K117-E121 WeakPolarHBondContact CE-OE1 3.47Å; K117-E121 WeakPolarHBondContact O-CG 3.32Å; K117-E121 PolarHBondContact O-N 2.88Å; K117-E121 VanDerWaalsContact O-N 3.11Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 3.36Å; E121-L125 VanDerWaalsContact O-CG 3.26Å; E121-L125 WeakPolarHBondContact O-CG 3.25Å; E121-L125 PolarHBondContact O-N 3.02Å; E121-L125 VanDerWaalsContact O-N 3.15Å; E121-A134 HydrophobicContact CG-CB 3.94Å
122	K	98.3	Very high	97.5	Very high	96 Å²	96	58.5 Å²	58.5	42%	0.417	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-47.5	177.9	-68.4	173	-171.5	169.9	0	111.9	E118 L119 A120 L125 Q126	E118-K122 WeakPolarHBondContact O-CG 3.3Å; E118-K122 PolarHBondContact O-N 3.46Å; E118-K122 WeakPolarHBondContact OE1-CE 3.23Å; E118-K122 IonicContact OE1-NZ 3.31Å; E118-K122 PolarHBondContact OE1-NZ 3.16Å; L119-K122 PolarHBondContact O-N 2.7Å; A120-K122 PolarHBondContact O-N 2.85Å; K122-L125 PolarHBondContact O-N 2.85Å; K122-Q126 WeakPolarHBondContact O-CB 3.44Å; K122-Q126 VanDerWaalsContact O-CG 3.27Å; K122-Q126 WeakPolarHBondContact O-CG 3.32Å; K122-Q126 PolarHBondContact O-N 2.81Å
123	L	98	Very high	97.5	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-40.5	-178.3	-72.4	176.2	0	0	0	112	P115 L119 A120 L125 Q126 A127 Y131 T309	P115-L123 HydrophobicContact CB-CD1 4.12Å; P115-L123 HydrophobicContact CG-CD1 4.27Å; L119-L123 HydrophobicContact CD1-CD1 4.08Å; L119-L123 HydrophobicContact CD1-CD2 4.39Å; L119-L123 HydrophobicContact CD1-CG 3.89Å; L119-L123 HydrophobicContact CD2-CD1 4.24Å; L119-L123 HydrophobicContact CG-CD1 3.72Å; L119-L123 HydrophobicContact CG-CG 4.03Å; L119-L123 WeakPolarHBondContact O-CB 3.29Å; L119-L123 VanDerWaalsContact O-CG 3.27Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 2.95Å; A120-L123 PolarHBondContact O-N 3.34Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L123-L125 PolarHBondContact O-N 3.24Å; L123-Q126 PolarHBondContact O-N 3.34Å; L123-A127 PolarHBondContact O-N 3.46Å; L123-Y131 HydrophobicContact CB-CD1 4.06Å; L123-Y131 HydrophobicContact CB-CD2 3.61Å; L123-Y131 HydrophobicContact CB-CE1 4.45Å; L123-Y131 HydrophobicContact CB-CE2 4.02Å; L123-Y131 HydrophobicContact CB-CG 3.61Å; L123-Y131 HydrophobicContact CD1-CD1 4.02Å; L123-Y131 HydrophobicContact CD1-CE1 3.75Å; L123-Y131 HydrophobicContact CD1-CE2 4.25Å; L123-Y131 HydrophobicContact CD1-CG 4.38Å; L123-Y131 HydrophobicContact CD2-CD2 4.26Å; L123-Y131 HydrophobicContact CD2-CE2 3.81Å; L123-Y131 HydrophobicContact CG-CD2 4.33Å; L123-Y131 HydrophobicContact CG-CE2 4.24Å; L123-Y131 HydrophobicContact CG-CG 4.5Å; L123-T309 HydrophobicContact CD1-CG2 3.87Å; L123-T309 HydrophobicContact CD2-CG2 3.91Å
124	H	98.3	Very high	97.4	Very high	57 Å²	57	60.8 Å²	60.8	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-61.2	-42.5	175.2	-177.1	58.3	0	0	0	112	A120 Q126 P128 Y131 P132 D133 A134	A120-H124 VanDerWaalsContact O-CB 3.27Å; A120-H124 WeakPolarHBondContact O-CB 3.49Å; A120-H124 PolarHBondContact O-N 3.3Å; H124-Q126 VanDerWaalsContact C-N 3.33Å; H124-Q126 PolarHBondContact O-N 3.17Å; H124-P128 WeakPolarHBondContact O-CA 3.32Å; H124-P128 WeakPolarHBondContact O-CB 3.25Å; H124-P128 VanDerWaalsContact O-CD 3.27Å; H124-P128 WeakPolarHBondContact O-CD 3.29Å; H124-Y131 PolarHBondContact ND1-O 3Å; H124-P132 VanDerWaalsContact CE1-C 3.46Å; H124-P132 PolarHBondContact CE1-O 3.48Å; H124-P132 VanDerWaalsContact ND1-C 3.35Å; H124-P132 PolarHBondContact ND1-O 3.24Å; H124-D133 WeakPolarHBondContact CB-O 3.41Å; H124-D133 PolarHBondContact ND1-N 3.41Å; H124-A134 HydrophobicContact CB-CB 4.26Å
125	L	98	Very high	97.4	Very high	143 Å²	143	62.4 Å²	62.4	75%	0.749	32%	0.318	S	S	*	.	H	α-helix	trans	-65.4	-36.3	176.8	-71.2	169.9	0	0	0	112.5	E121 K122 L123	E121-L125 VanDerWaalsContact O-CG 3.26Å; E121-L125 WeakPolarHBondContact O-CG 3.25Å; E121-L125 PolarHBondContact O-N 3.02Å; E121-L125 VanDerWaalsContact O-N 3.15Å; K122-L125 PolarHBondContact O-N 2.85Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L123-L125 PolarHBondContact O-N 3.24Å
126	Q	97.4	Very high	97.3	Very high	151 Å²	151	64.1 Å²	64.1	71%	0.706	33%	0.326	S	S	*	.	H	α-helix	trans	-85	-38.7	-174.9	-71.2	174.1	-6.5	0	0	113.6	K122 L123 H124	K122-Q126 WeakPolarHBondContact O-CB 3.44Å; K122-Q126 VanDerWaalsContact O-CG 3.27Å; K122-Q126 WeakPolarHBondContact O-CG 3.32Å; K122-Q126 PolarHBondContact O-N 2.81Å; L123-Q126 PolarHBondContact O-N 3.34Å; H124-Q126 VanDerWaalsContact C-N 3.33Å; H124-Q126 PolarHBondContact O-N 3.17Å
127	A	96.6	Very high	97.3	Very high	18 Å²	18	61.9 Å²	61.9	15%	0.149	31%	0.314	C	S	.	.			trans	-145.1	64.8	-173.8	0	0	0	0	0	111.9	L123 Q129 H130 Y131	L123-A127 PolarHBondContact O-N 3.46Å; A127-Q129 PolarHBondContact O-N 3.24Å; A127-H130 PolarHBondContact O-N 3.24Å; A127-Y131 HydrophobicContact CB-CD2 4.06Å; A127-Y131 HydrophobicContact CB-CE2 4.39Å; A127-Y131 PolarHBondContact O-N 3.41Å
128	P	96.3	Very high	97.4	Very high	66 Å²	66	58.1 Å²	58.1	43%	0.429	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.3	-175.2	24	-33.7	0	0	0	114.1	H124 H130 Y131 P132	H124-P128 WeakPolarHBondContact O-CA 3.32Å; H124-P128 WeakPolarHBondContact O-CB 3.25Å; H124-P128 VanDerWaalsContact O-CD 3.27Å; H124-P128 WeakPolarHBondContact O-CD 3.29Å; P128-H130 VanDerWaalsContact C-N 3.25Å; P128-H130 PolarHBondContact O-N 2.88Å; P128-Y131 WeakPolarHBondContact CA-O 3.43Å; P128-Y131 CarbonylContact O-C 3.54Å; P128-P132 WeakPolarHBondContact O-CA 3.23Å
129	Q	95.7	Very high	97.4	Very high	136 Å²	136	52.8 Å²	52.8	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.6	173.9	73.7	-77.2	4.9	0	0	113.8	A127	A127-Q129 PolarHBondContact O-N 3.24Å
130	H	95.4	Very high	97.4	Very high	78 Å²	78	50.9 Å²	50.9	36%	0.361	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-29.3	177.5	-63.8	-41.1	0	0	0	112.1	A127 P128 F304	A127-H130 PolarHBondContact O-N 3.24Å; P128-H130 VanDerWaalsContact C-N 3.25Å; P128-H130 PolarHBondContact O-N 2.88Å; H130-F304 HydrophobicContact CB-CE1 4.45Å; H130-F304 AromaticContact CD2-CE1 3.78Å; H130-F304 AromaticContact CG-CD1 3.95Å; H130-F304 AromaticContact CG-CE1 3.89Å; H130-F304 AromaticContact ND1-CD1 3.83Å
131	Y	97.5	Very high	97.4	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.016	26%	0.263	C	S	.	.	S	Bend	trans	-122.7	87.1	-179.3	-56.8	-72.9	0	0	0	108.7	L123 H124 A127 P128 D133 N294 V296 D306	L123-Y131 HydrophobicContact CB-CD1 4.06Å; L123-Y131 HydrophobicContact CB-CD2 3.61Å; L123-Y131 HydrophobicContact CB-CE1 4.45Å; L123-Y131 HydrophobicContact CB-CE2 4.02Å; L123-Y131 HydrophobicContact CB-CG 3.61Å; L123-Y131 HydrophobicContact CD1-CD1 4.02Å; L123-Y131 HydrophobicContact CD1-CE1 3.75Å; L123-Y131 HydrophobicContact CD1-CE2 4.25Å; L123-Y131 HydrophobicContact CD1-CG 4.38Å; L123-Y131 HydrophobicContact CD2-CD2 4.26Å; L123-Y131 HydrophobicContact CD2-CE2 3.81Å; L123-Y131 HydrophobicContact CG-CD2 4.33Å; L123-Y131 HydrophobicContact CG-CE2 4.24Å; L123-Y131 HydrophobicContact CG-CG 4.5Å; H124-Y131 PolarHBondContact ND1-O 3Å; A127-Y131 HydrophobicContact CB-CD2 4.06Å; A127-Y131 HydrophobicContact CB-CE2 4.39Å; A127-Y131 PolarHBondContact O-N 3.41Å; P128-Y131 WeakPolarHBondContact CA-O 3.43Å; P128-Y131 CarbonylContact O-C 3.54Å; Y131-D133 VanDerWaalsContact C-N 3.25Å; Y131-D133 PolarHBondContact O-N 2.95Å; Y131-N294 VanDerWaalsContact C-OD1 3.31Å; Y131-N294 WeakPolarHBondContact CA-OD1 3.25Å; Y131-N294 WeakPolarHBondContact CB-OD1 3.49Å; Y131-V296 HydrophobicContact CE1-CG2 3.65Å; Y131-D306 PolarHBondContact OH-OD2 2.92Å
132	P	96.6	Very high	97.5	Very high	66 Å²	66	46.8 Å²	46.8	43%	0.429	24%	0.243	S	C	.	.			trans	-73.4	-12.1	-164.2	29.2	-37.1	0	0	0	114.7	H124 P128 D293 N294	H124-P132 VanDerWaalsContact CE1-C 3.46Å; H124-P132 PolarHBondContact CE1-O 3.48Å; H124-P132 VanDerWaalsContact ND1-C 3.35Å; H124-P132 PolarHBondContact ND1-O 3.24Å; P128-P132 WeakPolarHBondContact O-CA 3.23Å; P132-D293 HydrophobicContact CG-CB 3.55Å; P132-N294 WeakPolarHBondContact CD-OD1 3.36Å
133	D	96.9	Very high	97.5	Very high	36 Å²	36	42.3 Å²	42.3	19%	0.193	22%	0.224	C	C	.	.	S	Bend	trans	-144.2	164.1	-179.4	61.7	82.1	0	0	0	111.6	H124 Y131 N135 S292 D293 N294	H124-D133 WeakPolarHBondContact CB-O 3.41Å; H124-D133 PolarHBondContact ND1-N 3.41Å; Y131-D133 VanDerWaalsContact C-N 3.25Å; Y131-D133 PolarHBondContact O-N 2.95Å; D133-N135 VanDerWaalsContact C-N 3.31Å; D133-N135 PolarHBondContact O-N 3.15Å; D133-N135 WeakPolarHBondContact OD1-CB 3.34Å; D133-N135 PolarHBondContact OD1-N 3.1Å; D133-S292 WeakPolarHBondContact OD1-CB 3.36Å; D133-S292 PolarHBondContact OD1-OG 3.35Å; D133-S292 PolarHBondContact OD2-OG 3.46Å; D133-D293 PolarHBondContact OD2-N 3.33Å; D133-N294 PolarHBondContact O-ND2 3.29Å; D133-N294 PolarHBondContact O-OD1 2.86Å; D133-N294 PolarHBondContact OD1-ND2 2.95Å
134	A	97	Very high	97.5	Very high	35 Å²	35	43.3 Å²	43.3	29%	0.289	23%	0.23	S	C	.	.	S	Bend	trans	-94.1	23.6	-179.7	0	0	0	0	0	112.6	K117 E121 H124	K117-A134 WeakPolarHBondContact CE-O 3.32Å; K117-A134 PolarHBondContact NZ-O 3.31Å; E121-A134 HydrophobicContact CG-CB 3.94Å; H124-A134 HydrophobicContact CB-CB 4.26Å
135	N	97.4	Very high	97.5	Very high	35 Å²	35	42.4 Å²	42.4	19%	0.187	23%	0.228	C	C	.	.			trans	-107.2	152.1	-175.1	-155.3	28.7	0	0	0	112.8	K117 A120 D133 C291 S292 N294	K117-N135 PolarHBondContact NZ-OD1 2.89Å; A120-N135 WeakPolarHBondContact CB-O 3.33Å; D133-N135 VanDerWaalsContact C-N 3.31Å; D133-N135 PolarHBondContact O-N 3.15Å; D133-N135 WeakPolarHBondContact OD1-CB 3.34Å; D133-N135 PolarHBondContact OD1-N 3.1Å; N135-C291 PolarHBondContact ND2-O 2.78Å; N135-S292 PolarHBondContact O-OG 2.83Å; N135-N294 PolarHBondContact O-ND2 2.96Å
136	H	97.6	Very high	97.6	Very high	35 Å²	35	40.4 Å²	40.4	16%	0.162	22%	0.224	C	C	.	.			trans	-73.1	168.6	166.6	68.3	175.5	0	0	0	110.5	K117 P138 S292 D346	K117-H136 HydrophobicContact CB-CB 4.28Å; H136-P138 VanDerWaalsContact CD2-CD 3.49Å; H136-P138 WeakPolarHBondContact CD2-CD 3.18Å; H136-S292 WeakPolarHBondContact O-CB 3.44Å; H136-D346 IonicContact CD2-OD1 3.65Å; H136-D346 IonicContact CE1-OD2 2.71Å; H136-D346 PolarHBondContact CE1-OD2 2.77Å; H136-D346 IonicContact NE2-OD1 2.65Å; H136-D346 PolarHBondContact NE2-OD1 2.93Å; H136-D346 VanDerWaalsContact NE2-OD1 3.1Å; H136-D346 IonicContact NE2-OD2 2.56Å; H136-D346 PolarHBondContact NE2-OD2 2.82Å
137	K	97.9	Very high	97.6	Very high	13 Å²	13	33.4 Å²	33.4	6%	0.057	19%	0.191	C	C	.	.			trans	-139.5	66.2	179.4	-165.7	178.3	168.5	144.2	0	111.5	H114 E139 M289 S292	H114-K137 HydrophobicContact CB-CB 3.82Å; H114-K137 WeakPolarHBondContact CB-O 3.27Å; H114-K137 PolarHBondContact CD2-O 3.09Å; H114-K137 VanDerWaalsContact CD2-O 3.23Å; K137-E139 WeakPolarHBondContact CE-OE1 3.4Å; K137-E139 HydrophobicContact CG-CG 4.08Å; K137-E139 IonicContact NZ-OE1 3.07Å; K137-M289 HydrophobicContact CD-CE 3.96Å; K137-M289 HydrophobicContact CG-CE 3.94Å; K137-S292 VanDerWaalsContact CD-O 3.23Å; K137-S292 WeakPolarHBondContact CD-O 3.16Å; K137-S292 WeakPolarHBondContact CE-O 3.28Å; K137-S292 PolarHBondContact NZ-O 3.5Å
138	P	97.3	Very high	97.7	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.019	19%	0.193	C	C	.	.			trans	-62.2	140.5	163.8	28.7	-36.2	0	0	0	109.6	H136 F271 M289 A290 V344 F347	H136-P138 VanDerWaalsContact CD2-CD 3.49Å; H136-P138 WeakPolarHBondContact CD2-CD 3.18Å; P138-F271 HydrophobicContact CB-CE2 3.81Å; P138-F271 HydrophobicContact CB-CZ 3.78Å; P138-M289 VanDerWaalsContact O-CA 3.25Å; P138-M289 WeakPolarHBondContact O-CA 3.28Å; P138-A290 HydrophobicContact CG-CB 3.85Å; P138-A290 PolarHBondContact O-N 2.81Å; P138-A290 VanDerWaalsContact O-N 3.07Å; P138-V344 HydrophobicContact CB-CB 4.42Å; P138-V344 HydrophobicContact CB-CG1 3.78Å; P138-V344 HydrophobicContact CB-CG2 4.21Å; P138-V344 HydrophobicContact CG-CB 4.2Å; P138-V344 HydrophobicContact CG-CG1 3.92Å; P138-V344 HydrophobicContact CG-CG2 4.17Å; P138-F347 HydrophobicContact CB-CE1 4.5Å; P138-F347 HydrophobicContact CG-CE1 4.36Å; P138-F347 WeakPolarHBondContact O-CE1 3.38Å
139	E	98.2	Very high	97.8	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	153.4	-179	-47.2	-179.6	127.4	0	0	110	H114 K137 F271 L272 H278 C288 M289	H114-E139 IonicContact CD2-OE2 3.93Å; H114-E139 IonicContact NE2-OE1 2.98Å; H114-E139 IonicContact NE2-OE2 2.93Å; H114-E139 PolarHBondContact NE2-OE2 3.11Å; K137-E139 WeakPolarHBondContact CE-OE1 3.4Å; K137-E139 HydrophobicContact CG-CG 4.08Å; K137-E139 IonicContact NZ-OE1 3.07Å; E139-F271 WeakPolarHBondContact O-CD2 3.47Å; E139-L272 HydrophobicContact CB-CB 4.09Å; E139-L272 HydrophobicContact CB-CD1 3.8Å; E139-L272 HydrophobicContact CB-CG 4.4Å; E139-L272 PolarHBondContact N-O 3.46Å; E139-L272 WeakPolarHBondContact O-CB 3.35Å; E139-L272 PolarHBondContact O-N 3.28Å; E139-L272 WeakPolarHBondContact OE2-CD1 3.49Å; E139-H278 IonicContact OE2-NE2 2.85Å; E139-H278 PolarHBondContact OE2-NE2 2.93Å; E139-C288 CarbonylContact C-O 3.48Å; E139-C288 WeakPolarHBondContact CA-O 3.49Å; E139-M289 HydrophobicContact CB-CB 4.11Å; E139-M289 HydrophobicContact CG-CB 3.72Å
140	M	98.6	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131	173.6	-177.8	164.1	67.2	0	0	109.7	I142 M270 F271 E287 C288 F326 Y340 P342 F347 I349	M140-I142 HydrophobicContact CE-CD1 4.41Å; M140-I142 HydrophobicContact CG-CG1 4.49Å; M140-M270 WeakPolarHBondContact CA-O 3.46Å; M140-F271 HydrophobicContact CB-CD2 4.28Å; M140-E287 CarbonylContact O-C 3.53Å; M140-E287 VanDerWaalsContact O-CA 3.22Å; M140-E287 WeakPolarHBondContact O-CA 3.19Å; M140-C288 PolarHBondContact N-O 2.54Å; M140-C288 PolarHBondContact O-N 2.77Å; M140-F326 HydrophobicContact SD-CD1 4.2Å; M140-F326 HydrophobicContact SD-CE1 4.41Å; M140-F326 HydrophobicContact SD-CG 4.49Å; M140-Y340 HydrophobicContact CE-CG 4.39Å; M140-P342 HydrophobicContact CE-CG 4.43Å; M140-P342 HydrophobicContact SD-CG 4.29Å; M140-F347 HydrophobicContact CB-CE2 3.73Å; M140-F347 HydrophobicContact CB-CZ 4.13Å; M140-F347 HydrophobicContact CE-CD2 4.48Å; M140-F347 HydrophobicContact CE-CE2 4.11Å; M140-I349 HydrophobicContact CE-CB 3.77Å; M140-I349 HydrophobicContact CE-CD1 3.36Å; M140-I349 HydrophobicContact CE-CG1 3.41Å; M140-I349 VanDerWaalsContact CE-CG1 3.41Å
141	A	98.8	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.8	174.4	0	0	0	0	0	110.3	A269 M270 Y280 V286	A141-A269 CarbonylContact O-C 3.55Å; A141-A269 WeakPolarHBondContact O-CA 3.49Å; A141-A269 WeakPolarHBondContact O-CB 3.44Å; A141-M270 HydrophobicContact CB-CE 4.04Å; A141-M270 HydrophobicContact CB-CG 4.32Å; A141-M270 PolarHBondContact N-O 2.69Å; A141-M270 PolarHBondContact O-N 3Å; A141-Y280 HydrophobicContact CB-CE1 4.29Å; A141-V286 CarbonylContact C-O 3.59Å; A141-V286 WeakPolarHBondContact CA-O 3.48Å
142	I	98.9	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.8	172.6	-49.4	176.4	0	0	0	108.3	M140 L144 A269 C285 V286 Y340 I349 F419	M140-I142 HydrophobicContact CE-CD1 4.41Å; M140-I142 HydrophobicContact CG-CG1 4.49Å; I142-L144 PolarHBondContact O-N 2.87Å; I142-A269 HydrophobicContact CB-CB 4.38Å; I142-A269 HydrophobicContact CG1-CB 3.88Å; I142-A269 HydrophobicContact CG2-CB 4.46Å; I142-C285 CarbonylContact O-C 3.57Å; I142-C285 VanDerWaalsContact O-CA 3.25Å; I142-C285 WeakPolarHBondContact O-CA 3.47Å; I142-C285 VanDerWaalsContact O-CB 3.26Å; I142-C285 WeakPolarHBondContact O-CB 3.45Å; I142-V286 HydrophobicContact CB-CB 4.48Å; I142-V286 PolarHBondContact N-O 3.07Å; I142-V286 PolarHBondContact O-N 3.12Å; I142-Y340 HydrophobicContact CD1-CD1 3.85Å; I142-Y340 HydrophobicContact CD1-CD2 3.62Å; I142-Y340 HydrophobicContact CD1-CE1 4.06Å; I142-Y340 HydrophobicContact CD1-CE2 3.86Å; I142-Y340 HydrophobicContact CD1-CG 3.64Å; I142-Y340 HydrophobicContact CG1-CD1 4.17Å; I142-Y340 HydrophobicContact CG1-CE1 4.25Å; I142-Y340 HydrophobicContact CG1-CG 4.42Å; I142-Y340 HydrophobicContact CG2-CE1 4.23Å; I142-I349 HydrophobicContact CD1-CB 3.96Å; I142-I349 HydrophobicContact CD1-CD1 3.83Å; I142-I349 HydrophobicContact CD1-CG2 3.79Å; I142-I349 HydrophobicContact CG1-CD1 4.36Å; I142-F419 HydrophobicContact CB-CE1 4.37Å; I142-F419 HydrophobicContact CD1-CD1 4.37Å; I142-F419 HydrophobicContact CD1-CE1 4.08Å; I142-F419 HydrophobicContact CG2-CE1 4.02Å; I142-F419 HydrophobicContact CG2-CZ 4.44Å
143	A	98.9	Very high	98.3	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.017	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.6	-173.9	0	0	0	0	0	112.1	T145 F147 L264 K265 P266 G267 E268	A143-T145 WeakPolarHBondContact CB-O 3.22Å; A143-F147 HydrophobicContact CB-CB 3.7Å; A143-L264 HydrophobicContact CB-CB 3.8Å; A143-K265 WeakPolarHBondContact CB-O 3.42Å; A143-P266 CarbonylContact O-C 3.44Å; A143-P266 WeakPolarHBondContact O-CA 3.33Å; A143-G267 PolarHBondContact O-N 2.83Å; A143-E268 PolarHBondContact N-O 3.09Å
144	L	98.8	Very high	98.3	Very high	29 Å²	29	16.7 Å²	16.7	15%	0.152	10%	0.098	C	C	.	.	S	Bend	trans	-95.8	-38.4	170.3	-69.5	178.5	0	0	0	111.2	E28 V102 I142 D284 V286 V375 F419	E28-L144 HydrophobicContact CG-CD1 4.07Å; V102-L144 HydrophobicContact CG1-CD1 3.95Å; I142-L144 PolarHBondContact O-N 2.87Å; L144-D284 HydrophobicContact CB-CB 4.22Å; L144-D284 WeakPolarHBondContact CB-O 3.23Å; L144-D284 PolarHBondContact N-O 3.44Å; L144-V286 HydrophobicContact CD1-CG2 4.01Å; L144-V286 HydrophobicContact CD2-CG2 3.84Å; L144-V286 HydrophobicContact CG-CG2 4Å; L144-V375 HydrophobicContact CD2-CG1 4.19Å; L144-V375 HydrophobicContact CD2-CG2 4.46Å; L144-F419 HydrophobicContact CD2-CE2 3.69Å; L144-F419 HydrophobicContact CD2-CZ 4.01Å
145	T	98.8	Very high	98.4	Very high	38 Å²	38	16.2 Å²	16.2	23%	0.233	9%	0.092	C	C	.	.	S	Bend	trans	-115.1	177.1	168.8	67.3	0	0	0	0	108.6	A143 F147 D284	A143-T145 WeakPolarHBondContact CB-O 3.22Å; T145-F147 PolarHBondContact O-N 3.48Å; T145-F147 VanDerWaalsContact O-N 3.08Å; T145-D284 HydrophobicContact CG2-CB 4Å; T145-D284 WeakPolarHBondContact CG2-OD2 3.38Å; T145-D284 PolarHBondContact N-O 2.85Å; T145-D284 PolarHBondContact OG1-N 2.9Å
146	P	98.8	Very high	98.4	Very high	101 Å²	101	15 Å²	15	66%	0.656	9%	0.086	S	C	*	.	S	Bend	trans	-46.9	124.7	160.4	-28.1	37.1	0	0	0	109.9	L264	P146-L264 WeakPolarHBondContact CA-O 3.23Å
147	F	98.8	Very high	98.3	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.013	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.4	-172	-172.9	-91.4	0	0	0	109.7	V105 A143 T145 L264 M270 Y280 K282 C285	V105-F147 HydrophobicContact CG2-CE2 4.09Å; A143-F147 HydrophobicContact CB-CB 3.7Å; T145-F147 PolarHBondContact O-N 3.48Å; T145-F147 VanDerWaalsContact O-N 3.08Å; F147-L264 HydrophobicContact CB-CB 4.33Å; F147-L264 HydrophobicContact CD1-CD1 4.19Å; F147-L264 PolarHBondContact N-O 2.81Å; F147-L264 PolarHBondContact O-N 2.94Å; F147-M270 HydrophobicContact CD1-CE 4.38Å; F147-M270 HydrophobicContact CE1-CE 3.77Å; F147-Y280 AromaticContact CE1-CD1 3.89Å; F147-Y280 HydrophobicContact CE1-CD1 3.89Å; F147-Y280 HydrophobicContact CE1-CE1 4.43Å; F147-Y280 HydrophobicContact CE1-CG 4.03Å; F147-Y280 AromaticContact CZ-CD1 3.9Å; F147-Y280 HydrophobicContact CZ-CD1 3.9Å; F147-Y280 AromaticContact CZ-CD2 3.87Å; F147-Y280 HydrophobicContact CZ-CD2 3.87Å; F147-Y280 HydrophobicContact CZ-CE2 4.45Å; F147-Y280 AromaticContact CZ-CG 3.55Å; F147-Y280 HydrophobicContact CZ-CG 3.55Å; F147-K282 CarbonylContact C-O 3.59Å; F147-K282 WeakPolarHBondContact CA-O 3.34Å; F147-C285 HydrophobicContact CD2-CB 3.77Å; F147-C285 HydrophobicContact CE2-CB 3.73Å; F147-C285 VanDerWaalsContact CE2-SG 3.52Å; F147-C285 HydrophobicContact CG-CB 4.27Å; F147-C285 HydrophobicContact CZ-CB 4.17Å
148	Q	98.6	Very high	98.3	Very high	43 Å²	43	20.4 Å²	20.4	20%	0.201	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.9	-177.2	-169.8	178.8	77.1	0	0	110.2	L261 L262 N263 L281 K282	Q148-L261 HydrophobicContact CG-CD1 3.64Å; Q148-L262 WeakPolarHBondContact CA-O 3.32Å; Q148-N263 WeakPolarHBondContact CG-OD1 3.46Å; Q148-N263 PolarHBondContact NE2-OD1 2.75Å; Q148-L281 HydrophobicContact CB-CB 4.26Å; Q148-L281 HydrophobicContact CG-CB 4.16Å; Q148-L281 HydrophobicContact CG-CD1 4.04Å; Q148-L281 WeakPolarHBondContact O-CA 3.36Å; Q148-L281 WeakPolarHBondContact O-CB 3.4Å; Q148-L281 PolarHBondContact O-N 2.9Å; Q148-K282 PolarHBondContact N-O 3.19Å; Q148-K282 PolarHBondContact O-N 2.8Å
149	G	98.5	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	161.8	179.2	0	0	0	0	0	112.8	L262 A279	G149-L262 PolarHBondContact N-O 3.25Å; G149-L262 PolarHBondContact O-N 3.35Å; G149-A279 CarbonylContact C-O 3.38Å; G149-A279 WeakPolarHBondContact CA-O 3.41Å
150	L	98.7	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.6	166.9	-57.7	174.8	0	0	0	108.6	I111 I256 L259 N260 L261 H278 A279 L281	I111-L150 HydrophobicContact CD1-CD1 4.26Å; I111-L150 HydrophobicContact CG1-CD1 4.41Å; L150-I256 HydrophobicContact CD1-CG2 4Å; L150-L259 HydrophobicContact CB-CB 4.13Å; L150-L259 HydrophobicContact CB-CD1 4.05Å; L150-L259 HydrophobicContact CD1-CD1 4.15Å; L150-L259 HydrophobicContact CD2-CB 4.46Å; L150-N260 CarbonylContact C-O 3.53Å; L150-N260 VanDerWaalsContact CA-O 3.22Å; L150-N260 WeakPolarHBondContact CA-O 3.05Å; L150-L261 HydrophobicContact CD2-CB 4.25Å; L150-L261 HydrophobicContact CD2-CD1 3.87Å; L150-H278 CarbonylContact O-C 3.51Å; L150-H278 WeakPolarHBondContact O-CA 3.39Å; L150-H278 WeakPolarHBondContact O-CB 3.27Å; L150-A279 HydrophobicContact CB-CB 4.27Å; L150-A279 HydrophobicContact CD1-CB 4.22Å; L150-A279 HydrophobicContact CG-CB 4.47Å; L150-A279 PolarHBondContact N-O 2.8Å; L150-A279 PolarHBondContact O-N 3.45Å; L150-L281 HydrophobicContact CD1-CD2 4.26Å; L150-L281 HydrophobicContact CD2-CD1 4.09Å; L150-L281 HydrophobicContact CG-CD1 3.97Å; L150-L281 HydrophobicContact CG-CD2 4.22Å; L150-L281 HydrophobicContact CG-CG 4.29Å
151	C	98.5	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	116.1	175.5	-175.8	0	0	0	0	112.8	N260 L262 M270 L272 R324	C151-N260 PolarHBondContact N-O 2.97Å; C151-N260 WeakPolarHBondContact O-CB 3.41Å; C151-N260 PolarHBondContact O-ND2 3.39Å; C151-L262 HydrophobicContact CB-CD1 3.86Å; C151-M270 HydrophobicContact CB-SD 4Å; C151-L272 HydrophobicContact CB-CD2 4.43Å; C151-R324 WeakPolarHBondContact O-CG 3.39Å
152	G	98.5	Very high	98.3	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.9	164.9	174.4	0	0	0	0	0	114.4	L259 N260 V276 P277	G152-L259 CarbonylContact O-C 3.5Å; G152-L259 VanDerWaalsContact O-CA 3.23Å; G152-L259 WeakPolarHBondContact O-CA 3.46Å; G152-N260 PolarHBondContact O-N 3.28Å; G152-V276 VanDerWaalsContact CA-CG1 3.5Å; G152-P277 PolarHBondContact N-O 2.89Å
153	F	98.6	Very high	98.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.6	178	-67.5	-77.9	0	0	0	111	L196 F200 F258 L259 N260 P277 L314 Y316 P318 S319	F153-L196 HydrophobicContact CB-CD2 3.82Å; F153-L196 HydrophobicContact CD1-CD1 4.19Å; F153-L196 HydrophobicContact CD1-CD2 3.93Å; F153-L196 HydrophobicContact CD1-CG 4.25Å; F153-L196 HydrophobicContact CD2-CD2 4.21Å; F153-L196 HydrophobicContact CG-CD2 3.73Å; F153-L196 HydrophobicContact CG-CG 4.5Å; F153-F200 HydrophobicContact CE1-CB 4.45Å; F153-F200 AromaticContact CE1-CD2 3.82Å; F153-F200 HydrophobicContact CE1-CD2 3.82Å; F153-F200 HydrophobicContact CE1-CE2 4.26Å; F153-F200 HydrophobicContact CE1-CG 4.12Å; F153-F200 HydrophobicContact CZ-CD1 4.45Å; F153-F200 HydrophobicContact CZ-CD2 4.21Å; F153-F200 HydrophobicContact CZ-CG 4.18Å; F153-F258 WeakPolarHBondContact CA-O 3.47Å; F153-F258 HydrophobicContact CD1-CB 4Å; F153-F258 HydrophobicContact CD1-CD1 4.45Å; F153-F258 HydrophobicContact CE1-CB 4.08Å; F153-F258 HydrophobicContact CE1-CD1 4.45Å; F153-F258 HydrophobicContact CE1-CG 4.48Å; F153-L259 HydrophobicContact CD1-CD2 4.19Å; F153-L259 HydrophobicContact CE1-CD2 4.34Å; F153-N260 PolarHBondContact O-ND2 2.83Å; F153-P277 HydrophobicContact CD2-CG 4.19Å; F153-P277 HydrophobicContact CE2-CG 3.76Å; F153-P277 HydrophobicContact CZ-CG 3.95Å; F153-L314 HydrophobicContact CE2-CB 4.24Å; F153-L314 HydrophobicContact CE2-CD1 4.12Å; F153-L314 HydrophobicContact CZ-CD1 3.85Å; F153-Y316 HydrophobicContact CD2-CD1 4.24Å; F153-Y316 HydrophobicContact CE1-CD1 4.27Å; F153-Y316 HydrophobicContact CE1-CE1 4.3Å; F153-Y316 AromaticContact CE2-CD1 3.5Å; F153-Y316 HydrophobicContact CE2-CD1 3.5Å; F153-Y316 VanDerWaalsContact CE2-CD1 3.5Å; F153-Y316 AromaticContact CE2-CE1 3.85Å; F153-Y316 HydrophobicContact CE2-CE1 3.85Å; F153-Y316 HydrophobicContact CE2-CG 4.23Å; F153-Y316 AromaticContact CZ-CD1 3.52Å; F153-Y316 HydrophobicContact CZ-CD1 3.52Å; F153-Y316 AromaticContact CZ-CE1 3.47Å; F153-Y316 HydrophobicContact CZ-CE1 3.47Å; F153-Y316 VanDerWaalsContact CZ-CE1 3.47Å; F153-P318 WeakPolarHBondContact O-CA 3.5Å; F153-S319 PolarHBondContact O-N 3.02Å
154	R	98.3	Very high	98.2	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.019	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-73.4	167.9	174.7	72.3	177.7	60.5	-136.9	13.5	111.4	E158 I159 F162 I256 Y257 F258 L259 N260 P318	R154-E158 HydrophobicContact CG-CB 4.07Å; R154-E158 IonicContact CZ-OE2 2.71Å; R154-E158 IonicContact NH1-OE2 2.66Å; R154-E158 PolarHBondContact NH1-OE2 2.94Å; R154-I159 HydrophobicContact CG-CD1 4.06Å; R154-I159 HydrophobicContact CG-CG1 3.48Å; R154-I159 VanDerWaalsContact CG-CG1 3.48Å; R154-F162 VanDerWaalsContact CZ-CE2 3.48Å; R154-F162 VanDerWaalsContact NH1-CE2 3.26Å; R154-I256 PolarHBondContact NH2-O 3.34Å; R154-Y257 WeakPolarHBondContact CD-O 3.15Å; R154-Y257 PolarHBondContact NE-O 3.49Å; R154-F258 WeakPolarHBondContact CG-O 3.48Å; R154-F258 PolarHBondContact N-O 3.25Å; R154-L259 PolarHBondContact NE-O 2.85Å; R154-L259 VanDerWaalsContact NE-O 3.1Å; R154-L259 PolarHBondContact NH2-O 3.49Å; R154-N260 WeakPolarHBondContact CA-OD1 3.17Å; R154-N260 VanDerWaalsContact CB-OD1 3.24Å; R154-N260 WeakPolarHBondContact CB-OD1 3.46Å; R154-P318 VanDerWaalsContact O-CB 3.23Å; R154-P318 WeakPolarHBondContact O-CB 3.29Å
155	P	97.5	Very high	98.2	Very high	25 Å²	25	33.7 Å²	33.7	16%	0.162	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-54.2	143.4	174.1	-24.8	35.9	0	0	0	112.3	E157 E158 I159 S319	P155-E157 WeakPolarHBondContact CB-OE2 3.35Å; P155-E157 PolarHBondContact O-N 3.21Å; P155-E158 HydrophobicContact CB-CG 4.43Å; P155-E158 WeakPolarHBondContact CD-OE1 3.24Å; P155-E158 WeakPolarHBondContact O-CB 3.39Å; P155-E158 PolarHBondContact O-N 2.95Å; P155-I159 PolarHBondContact O-N 3.24Å; P155-S319 WeakPolarHBondContact CD-O 3.38Å
156	V	97.1	Very high	98.2	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.055	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-34.5	-175.8	177.5	0	0	0	0	111.3	E158 I159 V160 L181 M185 V192 P318	V156-E158 PolarHBondContact O-N 2.83Å; V156-I159 PolarHBondContact O-N 2.87Å; V156-I159 VanDerWaalsContact O-N 3.17Å; V156-V160 HydrophobicContact CG1-CG2 4.11Å; V156-V160 WeakPolarHBondContact O-CB 3.36Å; V156-V160 WeakPolarHBondContact O-CG2 3.34Å; V156-V160 PolarHBondContact O-N 3.07Å; V156-L181 HydrophobicContact CG1-CD1 3.7Å; V156-L181 HydrophobicContact CG1-CD2 4.27Å; V156-L181 HydrophobicContact CG1-CG 3.72Å; V156-L181 HydrophobicContact CG2-CD1 4.42Å; V156-M185 HydrophobicContact CG1-CG 3.77Å; V156-V192 HydrophobicContact CG2-CG1 3.64Å; V156-P318 HydrophobicContact CG2-CB 4.3Å; V156-P318 HydrophobicContact CG2-CG 4.01Å
157	E	96.5	Very high	98.2	Very high	95 Å²	95	30.4 Å²	30.4	44%	0.444	15%	0.152	S	C	.	.	H	α-helix	trans	-54.8	-41.5	176.1	-61.6	60.9	-142.2	0	0	111.6	P155 T161 M185	P155-E157 WeakPolarHBondContact CB-OE2 3.35Å; P155-E157 PolarHBondContact O-N 3.21Å; E157-T161 WeakPolarHBondContact O-CB 3.46Å; E157-T161 PolarHBondContact O-N 2.68Å; E157-T161 PolarHBondContact O-OG1 2.76Å; E157-M185 HydrophobicContact CB-CE 3.92Å; E157-M185 HydrophobicContact CG-CE 3.39Å; E157-M185 WeakPolarHBondContact OE1-CE 3.43Å
158	E	97.8	Very high	98.2	Very high	67 Å²	67	31.1 Å²	31.1	31%	0.313	16%	0.155	S	C	.	.	H	α-helix	trans	-71.4	-44.2	178.7	-65.2	-175.8	-148	0	0	110.9	R154 P155 V156 V160 T161 F162	R154-E158 HydrophobicContact CG-CB 4.07Å; R154-E158 IonicContact CZ-OE2 2.71Å; R154-E158 IonicContact NH1-OE2 2.66Å; R154-E158 PolarHBondContact NH1-OE2 2.94Å; P155-E158 HydrophobicContact CB-CG 4.43Å; P155-E158 WeakPolarHBondContact CD-OE1 3.24Å; P155-E158 WeakPolarHBondContact O-CB 3.39Å; P155-E158 PolarHBondContact O-N 2.95Å; V156-E158 PolarHBondContact O-N 2.83Å; E158-V160 VanDerWaalsContact C-N 3.31Å; E158-V160 PolarHBondContact O-N 3.37Å; E158-T161 WeakPolarHBondContact O-CA 3.39Å; E158-T161 VanDerWaalsContact O-CB 3.3Å; E158-T161 WeakPolarHBondContact O-CB 3.44Å; E158-T161 PolarHBondContact O-N 3.32Å; E158-F162 HydrophobicContact CB-CE2 4.22Å; E158-F162 WeakPolarHBondContact O-CD2 3.41Å; E158-F162 WeakPolarHBondContact O-CE2 3.34Å; E158-F162 PolarHBondContact O-N 3.28Å
159	I	98.4	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-45.9	176.7	-57	172	0	0	0	110	R154 P155 V156 T161 F162 L163 L181 L196 F258	R154-I159 HydrophobicContact CG-CD1 4.06Å; R154-I159 HydrophobicContact CG-CG1 3.48Å; R154-I159 VanDerWaalsContact CG-CG1 3.48Å; P155-I159 PolarHBondContact O-N 3.24Å; V156-I159 PolarHBondContact O-N 2.87Å; V156-I159 VanDerWaalsContact O-N 3.17Å; I159-T161 PolarHBondContact O-N 2.65Å; I159-F162 PolarHBondContact O-N 2.98Å; I159-F162 VanDerWaalsContact O-N 3.16Å; I159-L163 HydrophobicContact CG2-CD1 4.39Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 2.9Å; I159-L181 HydrophobicContact CB-CD2 4.36Å; I159-L181 HydrophobicContact CG2-CD2 3.79Å; I159-L196 HydrophobicContact CD1-CD1 3.51Å; I159-F258 HydrophobicContact CD1-CD1 4.02Å; I159-F258 HydrophobicContact CG2-CD1 4.04Å; I159-F258 HydrophobicContact CG2-CE1 3.91Å
160	V	98	Very high	98.2	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-34	175.2	166.9	0	0	0	0	111.8	V156 E158 L163 K164 L181 K182 M185	V156-V160 HydrophobicContact CG1-CG2 4.11Å; V156-V160 WeakPolarHBondContact O-CB 3.36Å; V156-V160 WeakPolarHBondContact O-CG2 3.34Å; V156-V160 PolarHBondContact O-N 3.07Å; E158-V160 VanDerWaalsContact C-N 3.31Å; E158-V160 PolarHBondContact O-N 3.37Å; V160-L163 PolarHBondContact O-N 3.28Å; V160-K164 WeakPolarHBondContact O-CG 3.32Å; V160-K164 PolarHBondContact O-N 3.12Å; V160-L181 HydrophobicContact CG2-CD2 4.39Å; V160-L181 HydrophobicContact CG2-CG 4.39Å; V160-K182 HydrophobicContact CB-CG 4.38Å; V160-K182 HydrophobicContact CG1-CD 4.4Å; V160-K182 HydrophobicContact CG1-CG 3.71Å; V160-K182 HydrophobicContact CG2-CG 3.75Å; V160-M185 HydrophobicContact CB-SD 4.4Å; V160-M185 HydrophobicContact CG1-SD 4.41Å; V160-M185 HydrophobicContact CG2-SD 3.97Å
161	T	98.1	Very high	98.2	Very high	56 Å²	56	36.9 Å²	36.9	34%	0.344	18%	0.181	S	C	.	.	H	α-helix	trans	-67.1	-43.3	174.3	-60.9	0	0	0	0	111.3	E157 E158 I159 K164 K165	E157-T161 WeakPolarHBondContact O-CB 3.46Å; E157-T161 PolarHBondContact O-N 2.68Å; E157-T161 PolarHBondContact O-OG1 2.76Å; E158-T161 WeakPolarHBondContact O-CA 3.39Å; E158-T161 VanDerWaalsContact O-CB 3.3Å; E158-T161 WeakPolarHBondContact O-CB 3.44Å; E158-T161 PolarHBondContact O-N 3.32Å; I159-T161 PolarHBondContact O-N 2.65Å; T161-K164 PolarHBondContact O-N 2.95Å; T161-K164 VanDerWaalsContact O-N 3.12Å; T161-K165 HydrophobicContact CG2-CD 4.03Å; T161-K165 HydrophobicContact CG2-CG 4.42Å; T161-K165 WeakPolarHBondContact O-CG 3.29Å; T161-K165 PolarHBondContact O-N 2.83Å
162	F	98.6	Very high	98.2	Very high	11 Å²	11	37.4 Å²	37.4	5%	0.048	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-41.1	173.4	-63	-58.2	0	0	0	112.3	R154 E158 I159 K164 K165 V166 F169 D234 F236 Y257	R154-F162 VanDerWaalsContact CZ-CE2 3.48Å; R154-F162 VanDerWaalsContact NH1-CE2 3.26Å; E158-F162 HydrophobicContact CB-CE2 4.22Å; E158-F162 WeakPolarHBondContact O-CD2 3.41Å; E158-F162 WeakPolarHBondContact O-CE2 3.34Å; E158-F162 PolarHBondContact O-N 3.28Å; I159-F162 PolarHBondContact O-N 2.98Å; I159-F162 VanDerWaalsContact O-N 3.16Å; F162-K164 PolarHBondContact O-N 3.13Å; F162-K164 VanDerWaalsContact O-N 3.14Å; F162-K165 PolarHBondContact O-N 3.47Å; F162-K165 VanDerWaalsContact O-N 3.15Å; F162-V166 WeakPolarHBondContact O-CA 3.38Å; F162-V166 WeakPolarHBondContact O-CB 3.35Å; F162-V166 PolarHBondContact O-N 3.23Å; F162-F169 HydrophobicContact CB-CD1 4.15Å; F162-F169 HydrophobicContact CB-CE1 4.2Å; F162-D234 WeakPolarHBondContact CE1-O 3.48Å; F162-F236 AromaticContact CE1-CD2 3.96Å; F162-F236 HydrophobicContact CE1-CD2 3.96Å; F162-F236 AromaticContact CE1-CE2 3.87Å; F162-F236 HydrophobicContact CE1-CE2 3.87Å; F162-F236 HydrophobicContact CE2-CE2 4.14Å; F162-F236 AromaticContact CZ-CD2 3.91Å; F162-F236 HydrophobicContact CZ-CD2 3.91Å; F162-F236 AromaticContact CZ-CE2 3.36Å; F162-F236 HydrophobicContact CZ-CE2 3.36Å; F162-F236 HydrophobicContact CZ-CZ 4.33Å; F162-Y257 HydrophobicContact CB-CD1 3.98Å; F162-Y257 HydrophobicContact CB-CG 4.16Å; F162-Y257 AromaticContact CD1-CD1 3.55Å; F162-Y257 HydrophobicContact CD1-CD1 3.55Å; F162-Y257 AromaticContact CD1-CE1 3.93Å; F162-Y257 HydrophobicContact CD1-CE1 3.93Å; F162-Y257 HydrophobicContact CD2-CD1 4.08Å; F162-Y257 HydrophobicContact CE1-CD1 4.12Å; F162-Y257 HydrophobicContact CE1-CE1 4.4Å; F162-Y257 AromaticContact CG-CD1 3.56Å; F162-Y257 HydrophobicContact CG-CD1 3.56Å; F162-Y257 HydrophobicContact CG-CE1 4.37Å; F162-Y257 HydrophobicContact CG-CG 4.15Å
163	L	98.3	Very high	98.2	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-57.8	-26.9	173.5	-73.6	170.7	0	0	0	113	I159 V160 F169 Q170 I173 A178 L181	I159-L163 HydrophobicContact CG2-CD1 4.39Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 2.9Å; V160-L163 PolarHBondContact O-N 3.28Å; L163-F169 HydrophobicContact CD2-CD1 3.82Å; L163-F169 HydrophobicContact CD2-CE1 3.68Å; L163-F169 HydrophobicContact CD2-CZ 4.4Å; L163-F169 HydrophobicContact CG-CD1 4.23Å; L163-F169 HydrophobicContact CG-CE1 3.88Å; L163-Q170 HydrophobicContact CD2-CB 4.31Å; L163-Q170 HydrophobicContact CD2-CG 4.49Å; L163-Q170 WeakPolarHBondContact O-CB 3.43Å; L163-I173 HydrophobicContact CD2-CB 3.93Å; L163-I173 HydrophobicContact CD2-CG1 3.78Å; L163-I173 HydrophobicContact CD2-CG2 4.14Å; L163-A178 HydrophobicContact CD1-CB 4.01Å; L163-A178 HydrophobicContact CD2-CB 4.26Å; L163-L181 HydrophobicContact CD1-CD2 4.15Å
164	K	97.8	Very high	98.1	Very high	148 Å²	148	38.3 Å²	38.3	64%	0.643	19%	0.193	S	C	*	.	H	α-helix	trans	-84.6	-39.7	175.3	-70.2	170.8	-176.1	175.4	0	112.4	V160 T161 F162	V160-K164 WeakPolarHBondContact O-CG 3.32Å; V160-K164 PolarHBondContact O-N 3.12Å; T161-K164 PolarHBondContact O-N 2.95Å; T161-K164 VanDerWaalsContact O-N 3.12Å; F162-K164 PolarHBondContact O-N 3.13Å; F162-K164 VanDerWaalsContact O-N 3.14Å
165	K	98.3	Very high	98	Very high	91 Å²	91	43.7 Å²	43.7	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-87.5	-21	-173.2	-67.2	-173.6	176.2	-173	0	114	T161 F162 P167 D234 I235	T161-K165 HydrophobicContact CG2-CD 4.03Å; T161-K165 HydrophobicContact CG2-CG 4.42Å; T161-K165 WeakPolarHBondContact O-CG 3.29Å; T161-K165 PolarHBondContact O-N 2.83Å; F162-K165 PolarHBondContact O-N 3.47Å; F162-K165 VanDerWaalsContact O-N 3.15Å; K165-P167 VanDerWaalsContact C-CD 3.41Å; K165-P167 VanDerWaalsContact O-CD 3.24Å; K165-P167 WeakPolarHBondContact O-CD 3.32Å; K165-D234 WeakPolarHBondContact CD-OD2 3.35Å; K165-D234 WeakPolarHBondContact CE-OD2 3.22Å; K165-D234 IonicContact NZ-OD2 3.61Å; K165-D234 PolarHBondContact NZ-OD2 2.78Å; K165-I235 HydrophobicContact CB-CG2 3.65Å; K165-I235 HydrophobicContact CD-CG2 3.93Å; K165-I235 HydrophobicContact CG-CG2 4.46Å
166	V	98.6	Very high	98	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.			trans	-120.6	81.6	-174.5	-169.1	0	0	0	0	110.2	F162 E168 F169 Q170 L218 I235 Y257	F162-V166 WeakPolarHBondContact O-CA 3.38Å; F162-V166 WeakPolarHBondContact O-CB 3.35Å; F162-V166 PolarHBondContact O-N 3.23Å; V166-E168 PolarHBondContact O-N 2.81Å; V166-F169 HydrophobicContact CB-CB 3.86Å; V166-F169 HydrophobicContact CG1-CB 3.59Å; V166-F169 WeakPolarHBondContact O-CB 3.19Å; V166-F169 PolarHBondContact O-N 2.94Å; V166-Q170 PolarHBondContact O-N 2.8Å; V166-L218 HydrophobicContact CG1-CD1 3.76Å; V166-L218 HydrophobicContact CG1-CD2 3.83Å; V166-L218 HydrophobicContact CG1-CG 4.45Å; V166-I235 HydrophobicContact CG2-CB 3.98Å; V166-I235 HydrophobicContact CG2-CD1 4.27Å; V166-I235 HydrophobicContact CG2-CG2 3.86Å; V166-Y257 HydrophobicContact CG1-CE2 4.07Å; V166-Y257 HydrophobicContact CG2-CE1 4.25Å
167	P	98.6	Very high	98	Very high	70 Å²	70	50.1 Å²	50.1	46%	0.455	25%	0.25	S	C	.	.	H	α-helix	trans	-47.4	-38.2	176.6	-32.1	28.7	0	0	0	115.9	K165 F169 Q170 F171 R221	K165-P167 VanDerWaalsContact C-CD 3.41Å; K165-P167 VanDerWaalsContact O-CD 3.24Å; K165-P167 WeakPolarHBondContact O-CD 3.32Å; P167-F169 VanDerWaalsContact C-N 3.34Å; P167-Q170 PolarHBondContact O-N 2.84Å; P167-F171 WeakPolarHBondContact O-CB 3.32Å; P167-F171 PolarHBondContact O-N 3.08Å; P167-R221 VanDerWaalsContact CD-NH1 3.26Å
168	E	98.8	Very high	98	Very high	18 Å²	18	45.6 Å²	45.6	8%	0.084	23%	0.229	C	C	.	.	H	α-helix	trans	-68.7	-35.8	-179.7	-58.4	83.2	176.5	0	0	111.4	V166 L172 Q214 L217 L218 R221 F254	V166-E168 PolarHBondContact O-N 2.81Å; E168-L172 WeakPolarHBondContact O-CG 3.27Å; E168-L172 PolarHBondContact O-N 3.37Å; E168-Q214 HydrophobicContact CB-CB 4.2Å; E168-L217 HydrophobicContact CG-CB 3.97Å; E168-L218 HydrophobicContact CB-CB 4.09Å; E168-L218 HydrophobicContact CG-CB 3.9Å; E168-R221 IonicContact OE1-CZ 3.76Å; E168-R221 VanDerWaalsContact OE1-CZ 3.29Å; E168-R221 IonicContact OE1-NE 3.04Å; E168-R221 IonicContact OE1-NH1 2.75Å; E168-R221 PolarHBondContact OE1-NH1 2.78Å; E168-R221 IonicContact OE1-NH2 3.95Å; E168-R221 IonicContact OE2-CZ 3.29Å; E168-R221 IonicContact OE2-NH1 2.79Å; E168-R221 PolarHBondContact OE2-NH1 2.91Å; E168-R221 IonicContact OE2-NH2 3.74Å; E168-R221 PolarHBondContact OE2-NH2 2.94Å; E168-F254 HydrophobicContact CB-CE1 4.18Å; E168-F254 HydrophobicContact CB-CZ 4.15Å
169	F	98.7	Very high	97.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.3	-47.1	172.3	176	-125.8	0	0	0	110	F162 L163 V166 P167 F171 L172 I173 L203 F254 Y257 F258	F162-F169 HydrophobicContact CB-CD1 4.15Å; F162-F169 HydrophobicContact CB-CE1 4.2Å; L163-F169 HydrophobicContact CD2-CD1 3.82Å; L163-F169 HydrophobicContact CD2-CE1 3.68Å; L163-F169 HydrophobicContact CD2-CZ 4.4Å; L163-F169 HydrophobicContact CG-CD1 4.23Å; L163-F169 HydrophobicContact CG-CE1 3.88Å; V166-F169 HydrophobicContact CB-CB 3.86Å; V166-F169 HydrophobicContact CG1-CB 3.59Å; V166-F169 WeakPolarHBondContact O-CB 3.19Å; V166-F169 PolarHBondContact O-N 2.94Å; P167-F169 VanDerWaalsContact C-N 3.34Å; F169-F171 VanDerWaalsContact C-N 3.27Å; F169-F171 PolarHBondContact O-N 3.43Å; F169-L172 PolarHBondContact O-N 3.33Å; F169-L172 VanDerWaalsContact O-N 3.14Å; F169-I173 HydrophobicContact CD2-CD1 4.47Å; F169-I173 HydrophobicContact CD2-CG1 4.16Å; F169-I173 HydrophobicContact CE1-CG1 4.45Å; F169-I173 HydrophobicContact CE2-CD1 3.83Å; F169-I173 HydrophobicContact CE2-CG1 3.81Å; F169-I173 HydrophobicContact CZ-CD1 4.18Å; F169-I173 HydrophobicContact CZ-CG1 3.97Å; F169-I173 WeakPolarHBondContact O-CG1 3.24Å; F169-I173 PolarHBondContact O-N 3.01Å; F169-I173 VanDerWaalsContact O-N 3.12Å; F169-L203 HydrophobicContact CE2-CD2 4.47Å; F169-F254 HydrophobicContact CB-CD1 3.86Å; F169-F254 HydrophobicContact CB-CE1 3.99Å; F169-F254 HydrophobicContact CD2-CB 4.28Å; F169-F254 AromaticContact CD2-CD1 3.87Å; F169-F254 HydrophobicContact CD2-CD1 3.87Å; F169-F254 HydrophobicContact CD2-CG 4.47Å; F169-F254 HydrophobicContact CG-CD1 4.3Å; F169-Y257 HydrophobicContact CB-CD2 4.14Å; F169-Y257 HydrophobicContact CB-CE2 4.42Å; F169-Y257 HydrophobicContact CD1-CD2 4.2Å; F169-Y257 HydrophobicContact CD1-CG 4.33Å; F169-Y257 HydrophobicContact CD2-CD2 4Å; F169-Y257 HydrophobicContact CE1-CG 4.47Å; F169-Y257 HydrophobicContact CE2-CD2 4.46Å; F169-Y257 AromaticContact CG-CD2 3.86Å; F169-Y257 HydrophobicContact CG-CD2 3.86Å; F169-Y257 HydrophobicContact CG-CG 4.43Å; F169-F258 HydrophobicContact CE2-CD2 4.02Å; F169-F258 AromaticContact CE2-CE2 3.48Å; F169-F258 HydrophobicContact CE2-CE2 3.48Å; F169-F258 VanDerWaalsContact CE2-CE2 3.48Å; F169-F258 HydrophobicContact CE2-CZ 4.05Å; F169-F258 AromaticContact CZ-CD2 3.93Å; F169-F258 HydrophobicContact CZ-CD2 3.93Å; F169-F258 HydrophobicContact CZ-CE1 4.29Å; F169-F258 AromaticContact CZ-CE2 3.47Å; F169-F258 HydrophobicContact CZ-CE2 3.47Å; F169-F258 VanDerWaalsContact CZ-CE2 3.47Å; F169-F258 AromaticContact CZ-CZ 3.66Å; F169-F258 HydrophobicContact CZ-CZ 3.66Å
170	Q	98.6	Very high	97.7	Very high	45 Å²	45	49.1 Å²	49.1	21%	0.21	25%	0.249	C	C	.	.	H	α-helix	trans	-57.5	-40.2	176.7	-173.3	-81	-31.5	0	0	112.5	L163 V166 P167 L172 I173 G174 D175	L163-Q170 HydrophobicContact CD2-CB 4.31Å; L163-Q170 HydrophobicContact CD2-CG 4.49Å; L163-Q170 WeakPolarHBondContact O-CB 3.43Å; V166-Q170 PolarHBondContact O-N 2.8Å; P167-Q170 PolarHBondContact O-N 2.84Å; Q170-L172 VanDerWaalsContact C-N 3.33Å; Q170-L172 PolarHBondContact O-N 2.95Å; Q170-I173 PolarHBondContact O-N 3.04Å; Q170-G174 PolarHBondContact O-N 2.94Å; Q170-D175 PolarHBondContact NE2-OD1 3.1Å
171	F	98.6	Very high	97.6	Very high	119 Å²	119	48.9 Å²	48.9	52%	0.522	25%	0.248	S	C	.	.	H	α-helix	trans	-57.9	-44.6	176.4	178.6	-86.1	0	0	0	112	P167 F169 I173 G174 V210 Q214	P167-F171 WeakPolarHBondContact O-CB 3.32Å; P167-F171 PolarHBondContact O-N 3.08Å; F169-F171 VanDerWaalsContact C-N 3.27Å; F169-F171 PolarHBondContact O-N 3.43Å; F171-I173 VanDerWaalsContact C-N 3.34Å; F171-G174 PolarHBondContact O-N 2.94Å; F171-V210 HydrophobicContact CE1-CG1 3.78Å; F171-Q214 HydrophobicContact CD1-CG 3.65Å; F171-Q214 HydrophobicContact CE1-CG 4.11Å; F171-Q214 HydrophobicContact CG-CG 4.47Å
172	L	98.4	Very high	97.5	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-69	-32.1	178.9	-67.6	172.6	0	0	0	112.8	E168 F169 Q170 L203 V210 V211 Q214 F254	E168-L172 WeakPolarHBondContact O-CG 3.27Å; E168-L172 PolarHBondContact O-N 3.37Å; F169-L172 PolarHBondContact O-N 3.33Å; F169-L172 VanDerWaalsContact O-N 3.14Å; Q170-L172 VanDerWaalsContact C-N 3.33Å; Q170-L172 PolarHBondContact O-N 2.95Å; L172-L203 HydrophobicContact CB-CD1 4.09Å; L172-L203 HydrophobicContact CD1-CD1 3.87Å; L172-V210 HydrophobicContact CD2-CG1 3.94Å; L172-V211 HydrophobicContact CD2-CG2 4.19Å; L172-Q214 HydrophobicContact CD1-CB 4.14Å; L172-Q214 HydrophobicContact CD2-CB 4.34Å; L172-Q214 HydrophobicContact CD2-CG 3.95Å; L172-Q214 HydrophobicContact CG-CB 4.22Å; L172-Q214 HydrophobicContact CG-CG 4.09Å; L172-F254 HydrophobicContact CD1-CD1 4.17Å; L172-F254 HydrophobicContact CD1-CD2 3.49Å; L172-F254 VanDerWaalsContact CD1-CD2 3.49Å; L172-F254 HydrophobicContact CD1-CE1 4.08Å; L172-F254 HydrophobicContact CD1-CE2 3.38Å; L172-F254 HydrophobicContact CD1-CG 3.89Å; L172-F254 HydrophobicContact CD1-CZ 3.7Å
173	I	98.3	Very high	97.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-76.1	-38.1	176.9	-59.6	-52.2	0	0	0	111.4	L163 F169 Q170 F171 A177 A178 C199 H202 L203 F258	L163-I173 HydrophobicContact CD2-CB 3.93Å; L163-I173 HydrophobicContact CD2-CG1 3.78Å; L163-I173 HydrophobicContact CD2-CG2 4.14Å; F169-I173 HydrophobicContact CD2-CD1 4.47Å; F169-I173 HydrophobicContact CD2-CG1 4.16Å; F169-I173 HydrophobicContact CE1-CG1 4.45Å; F169-I173 HydrophobicContact CE2-CD1 3.83Å; F169-I173 HydrophobicContact CE2-CG1 3.81Å; F169-I173 HydrophobicContact CZ-CD1 4.18Å; F169-I173 HydrophobicContact CZ-CG1 3.97Å; F169-I173 WeakPolarHBondContact O-CG1 3.24Å; F169-I173 PolarHBondContact O-N 3.01Å; F169-I173 VanDerWaalsContact O-N 3.12Å; Q170-I173 PolarHBondContact O-N 3.04Å; F171-I173 VanDerWaalsContact C-N 3.34Å; I173-A177 HydrophobicContact CG2-CB 4.04Å; I173-A178 HydrophobicContact CG2-CB 4.16Å; I173-C199 VanDerWaalsContact CD1-O 3.26Å; I173-C199 WeakPolarHBondContact CD1-O 3Å; I173-C199 HydrophobicContact CG2-CB 3.93Å; I173-H202 PolarHBondContact O-ND1 2.83Å; I173-L203 HydrophobicContact CD1-CB 3.79Å; I173-F258 HydrophobicContact CD1-CE2 3.84Å; I173-F258 HydrophobicContact CD1-CZ 3.59Å; I173-F258 HydrophobicContact CG1-CZ 4.41Å
174	G	97.8	Very high	96.7	Very high	23 Å²	23	55.3 Å²	55.3	24%	0.237	27%	0.273	C	S	.	.			trans	83.4	154.3	-176.5	0	0	0	0	0	113.5	Q170 F171 E176 A178	Q170-G174 PolarHBondContact O-N 2.94Å; F171-G174 PolarHBondContact O-N 2.94Å; G174-E176 PolarHBondContact O-N 3.33Å; G174-A178 VanDerWaalsContact O-CB 3.22Å; G174-A178 WeakPolarHBondContact O-CB 3.47Å; G174-A178 PolarHBondContact O-N 2.87Å; G174-A178 VanDerWaalsContact O-N 3.09Å
175	D	96.4	Very high	95.8	Very high	118 Å²	118	51.3 Å²	51.3	63%	0.631	26%	0.258	S	S	*	.	H	α-helix	trans	-62.7	-40.6	-172.5	-69.9	-38.7	0	0	0	113.4	Q170 T179	Q170-D175 PolarHBondContact NE2-OD1 3.1Å; D175-T179 WeakPolarHBondContact O-CB 3.32Å; D175-T179 PolarHBondContact O-N 3.22Å; D175-T179 PolarHBondContact O-OG1 3.01Å
176	E	96.8	Very high	94.7	Very high	166 Å²	166	52.6 Å²	52.6	78%	0.776	28%	0.279	S	S	*	.	H	α-helix	trans	-65	-54.8	-176.6	-173.7	179.2	177.5	0	0	111.3	G174 A178 T179 H180	G174-E176 PolarHBondContact O-N 3.33Å; E176-A178 PolarHBondContact O-N 3.31Å; E176-T179 PolarHBondContact O-N 3.3Å; E176-H180 WeakPolarHBondContact O-CB 3.35Å; E176-H180 PolarHBondContact O-N 3.04Å
177	A	96.8	Very high	93.8	Very high	3 Å²	3	58.4 Å²	58.4	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-43.3	179.4	0	0	0	0	0	111.5	I173 T179 H180 L181 C199	I173-A177 HydrophobicContact CG2-CB 4.04Å; A177-T179 VanDerWaalsContact C-N 3.34Å; A177-T179 PolarHBondContact O-N 3.49Å; A177-H180 PolarHBondContact O-N 2.78Å; A177-L181 PolarHBondContact O-N 3.35Å; A177-C199 PolarHBondContact O-SG 2.82Å; A177-C199 VanDerWaalsContact O-SG 3.33Å
178	A	96.6	Very high	93.3	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-64.1	-37.1	177.5	0	0	0	0	0	112.7	L163 I173 G174 E176 K182	L163-A178 HydrophobicContact CD1-CB 4.01Å; L163-A178 HydrophobicContact CD2-CB 4.26Å; I173-A178 HydrophobicContact CG2-CB 4.16Å; G174-A178 VanDerWaalsContact O-CB 3.22Å; G174-A178 WeakPolarHBondContact O-CB 3.47Å; G174-A178 PolarHBondContact O-N 2.87Å; G174-A178 VanDerWaalsContact O-N 3.09Å; E176-A178 PolarHBondContact O-N 3.31Å; A178-K182 WeakPolarHBondContact O-CD 3.3Å; A178-K182 VanDerWaalsContact O-CG 3.22Å; A178-K182 WeakPolarHBondContact O-CG 3.29Å; A178-K182 PolarHBondContact O-N 3.04Å
179	T	95.8	Very high	92.8	Very high	61 Å²	61	64 Å²	64	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-71.1	-42.4	176.5	-61.5	0	0	0	0	111	D175 E176 A177 K182 Q183	D175-T179 WeakPolarHBondContact O-CB 3.32Å; D175-T179 PolarHBondContact O-N 3.22Å; D175-T179 PolarHBondContact O-OG1 3.01Å; E176-T179 PolarHBondContact O-N 3.3Å; A177-T179 VanDerWaalsContact C-N 3.34Å; A177-T179 PolarHBondContact O-N 3.49Å; T179-K182 WeakPolarHBondContact O-CB 3.37Å; T179-K182 PolarHBondContact O-N 3.04Å; T179-Q183 WeakPolarHBondContact O-CG 3.34Å; T179-Q183 PolarHBondContact O-N 2.93Å
180	H	95.1	Very high	92.5	Very high	79 Å²	79	70.7 Å²	70.7	37%	0.366	37%	0.371	S	S	.	.	H	α-helix	trans	-58.3	-51.1	175.7	-173.5	51.3	0	0	0	110.8	E176 A177 K182 Q183 T184 A195	E176-H180 WeakPolarHBondContact O-CB 3.35Å; E176-H180 PolarHBondContact O-N 3.04Å; A177-H180 PolarHBondContact O-N 2.78Å; H180-K182 VanDerWaalsContact C-N 3.28Å; H180-K182 PolarHBondContact O-N 3.44Å; H180-Q183 PolarHBondContact O-N 3.06Å; H180-T184 PolarHBondContact O-N 3.23Å; H180-T184 PolarHBondContact O-OG1 3.26Å; H180-A195 VanDerWaalsContact CD2-CB 3.46Å; H180-A195 WeakPolarHBondContact CD2-CB 3.1Å
181	L	95.6	Very high	92.2	Very high	1 Å²	1	70 Å²	70	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-56.2	-40.6	177.5	-173.2	67.2	0	0	0	113	V156 I159 V160 L163 A177 Q183 T184 A195 L196	V156-L181 HydrophobicContact CG1-CD1 3.7Å; V156-L181 HydrophobicContact CG1-CD2 4.27Å; V156-L181 HydrophobicContact CG1-CG 3.72Å; V156-L181 HydrophobicContact CG2-CD1 4.42Å; I159-L181 HydrophobicContact CB-CD2 4.36Å; I159-L181 HydrophobicContact CG2-CD2 3.79Å; V160-L181 HydrophobicContact CG2-CD2 4.39Å; V160-L181 HydrophobicContact CG2-CG 4.39Å; L163-L181 HydrophobicContact CD1-CD2 4.15Å; A177-L181 PolarHBondContact O-N 3.35Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 2.95Å; L181-T184 PolarHBondContact O-N 2.79Å; L181-A195 HydrophobicContact CB-CB 4.49Å; L181-A195 HydrophobicContact CD1-CB 3.94Å; L181-L196 HydrophobicContact CD1-CB 4.25Å
182	K	94.4	Very high	92	Very high	77 Å²	77	65 Å²	65	34%	0.335	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-37.4	176.4	-73.3	167.3	-171	170.2	0	112.8	V160 A178 T179 H180 T184 M185	V160-K182 HydrophobicContact CB-CG 4.38Å; V160-K182 HydrophobicContact CG1-CD 4.4Å; V160-K182 HydrophobicContact CG1-CG 3.71Å; V160-K182 HydrophobicContact CG2-CG 3.75Å; A178-K182 WeakPolarHBondContact O-CD 3.3Å; A178-K182 VanDerWaalsContact O-CG 3.22Å; A178-K182 WeakPolarHBondContact O-CG 3.29Å; A178-K182 PolarHBondContact O-N 3.04Å; T179-K182 WeakPolarHBondContact O-CB 3.37Å; T179-K182 PolarHBondContact O-N 3.04Å; H180-K182 VanDerWaalsContact C-N 3.28Å; H180-K182 PolarHBondContact O-N 3.44Å; K182-T184 VanDerWaalsContact C-N 3.34Å; K182-M185 WeakPolarHBondContact O-CG 3.28Å
183	Q	92.1	Very high	91.9	Very high	124 Å²	124	65.3 Å²	65.3	58%	0.579	36%	0.356	S	S	*	.	H	α-helix	trans	-73.4	-30.6	179.6	-71	171.4	-11.7	0	0	111.5	T179 H180 L181 M185 H187	T179-Q183 WeakPolarHBondContact O-CG 3.34Å; T179-Q183 PolarHBondContact O-N 2.93Å; H180-Q183 PolarHBondContact O-N 3.06Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 2.95Å; Q183-M185 VanDerWaalsContact C-N 3.3Å; Q183-M185 PolarHBondContact O-N 3.16Å; Q183-H187 PolarHBondContact O-CD2 3.31Å; Q183-H187 PolarHBondContact O-NE2 2.82Å
184	T	89.4	Confident	91.8	Very high	6 Å²	6	68 Å²	68	4%	0.037	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-80.8	-4.3	-173.9	-39.4	0	0	0	0	114.4	H180 L181 K182 S186 H187 A191 V192 A195	H180-T184 PolarHBondContact O-N 3.23Å; H180-T184 PolarHBondContact O-OG1 3.26Å; L181-T184 PolarHBondContact O-N 2.79Å; K182-T184 VanDerWaalsContact C-N 3.34Å; T184-S186 PolarHBondContact O-N 2.99Å; T184-H187 HydrophobicContact CG2-CB 3.76Å; T184-H187 WeakPolarHBondContact O-CB 3.41Å; T184-H187 PolarHBondContact O-N 3.27Å; T184-A191 HydrophobicContact CG2-CB 3.47Å; T184-A191 VanDerWaalsContact CG2-CB 3.47Å; T184-A191 WeakPolarHBondContact CG2-O 3.25Å; T184-V192 HydrophobicContact CG2-CG2 4.12Å; T184-V192 WeakPolarHBondContact O-CG2 3.06Å; T184-A195 HydrophobicContact CG2-CB 4.39Å
185	M	78.7	Confident	91.8	Very high	64 Å²	64	66.9 Å²	66.9	32%	0.315	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-58	-23.9	-176.8	-65.2	-179.5	65.4	0	0	114.7	V156 E157 V160 K182 Q183	V156-M185 HydrophobicContact CG1-CG 3.77Å; E157-M185 HydrophobicContact CB-CE 3.92Å; E157-M185 HydrophobicContact CG-CE 3.39Å; E157-M185 WeakPolarHBondContact OE1-CE 3.43Å; V160-M185 HydrophobicContact CB-SD 4.4Å; V160-M185 HydrophobicContact CG1-SD 4.41Å; V160-M185 HydrophobicContact CG2-SD 3.97Å; K182-M185 WeakPolarHBondContact O-CG 3.28Å; Q183-M185 VanDerWaalsContact C-N 3.3Å; Q183-M185 PolarHBondContact O-N 3.16Å
186	S	75.3	Confident	91.9	Very high	119 Å²	119	61.3 Å²	61.3	83%	0.832	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-105.3	9.8	-179.7	-52	0	0	0	0	113.7	T184	T184-S186 PolarHBondContact O-N 2.99Å
187	H	79.5	Confident	92	Very high	121 Å²	121	56.5 Å²	56.5	56%	0.56	31%	0.311	S	S	*	.	S	Bend	trans	-99.2	178.4	-175.5	-70.5	-99.7	0	0	0	112.3	Q183 T184 A191	Q183-H187 PolarHBondContact O-CD2 3.31Å; Q183-H187 PolarHBondContact O-NE2 2.82Å; T184-H187 HydrophobicContact CG2-CB 3.76Å; T184-H187 WeakPolarHBondContact O-CB 3.41Å; T184-H187 PolarHBondContact O-N 3.27Å; H187-A191 HydrophobicContact CB-CB 3.94Å
188	D	87.4	Confident	92	Very high	102 Å²	102	58.2 Å²	58.2	55%	0.545	32%	0.324	S	S	.	.			trans	-65.1	165.4	174.6	66.3	53.2	0	0	0	113.1	Q190 A191 V192	D188-Q190 VanDerWaalsContact C-N 3.25Å; D188-Q190 PolarHBondContact O-N 2.62Å; D188-Q190 WeakPolarHBondContact OD1-CB 3.26Å; D188-Q190 PolarHBondContact OD1-N 2.85Å; D188-A191 PolarHBondContact O-N 3.44Å; D188-A191 PolarHBondContact OD1-N 2.89Å; D188-V192 WeakPolarHBondContact O-CG2 3.46Å; D188-V192 PolarHBondContact O-N 2.92Å; D188-V192 VanDerWaalsContact O-N 3.16Å
189	S	88.6	Confident	92.1	Very high	103 Å²	103	58.2 Å²	58.2	72%	0.72	32%	0.323	S	S	*	.	H	α-helix	trans	-60.9	-30.7	-176	52.3	0	0	0	0	113.7	A193	S189-A193 WeakPolarHBondContact O-CB 3.16Å; S189-A193 PolarHBondContact O-N 3.04Å
190	Q	91.8	Very high	92.2	Very high	141 Å²	141	55.3 Å²	55.3	66%	0.659	31%	0.306	S	S	*	.	H	α-helix	trans	-74	-42.7	-178.3	-173.2	62.6	34.4	0	0	111.1	D188 V192 A193 S194	D188-Q190 VanDerWaalsContact C-N 3.25Å; D188-Q190 PolarHBondContact O-N 2.62Å; D188-Q190 WeakPolarHBondContact OD1-CB 3.26Å; D188-Q190 PolarHBondContact OD1-N 2.85Å; Q190-V192 VanDerWaalsContact C-N 3.31Å; Q190-A193 PolarHBondContact O-N 2.69Å; Q190-S194 PolarHBondContact O-N 3.31Å
191	A	93.5	Very high	92.4	Very high	30 Å²	30	52.1 Å²	52.1	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-43.7	174.8	0	0	0	0	0	110.6	T184 H187 D188 S194 A195	T184-A191 HydrophobicContact CG2-CB 3.47Å; T184-A191 VanDerWaalsContact CG2-CB 3.47Å; T184-A191 WeakPolarHBondContact CG2-O 3.25Å; H187-A191 HydrophobicContact CB-CB 3.94Å; D188-A191 PolarHBondContact O-N 3.44Å; D188-A191 PolarHBondContact OD1-N 2.89Å; A191-S194 PolarHBondContact O-N 3.44Å; A191-A195 PolarHBondContact O-N 3.15Å
192	V	94.8	Very high	92.5	Very high	16 Å²	16	56 Å²	56	10%	0.097	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-48	176.9	169.7	0	0	0	0	111.5	V156 T184 D188 Q190 S194 A195 L196 P318	V156-V192 HydrophobicContact CG2-CG1 3.64Å; T184-V192 HydrophobicContact CG2-CG2 4.12Å; T184-V192 WeakPolarHBondContact O-CG2 3.06Å; D188-V192 WeakPolarHBondContact O-CG2 3.46Å; D188-V192 PolarHBondContact O-N 2.92Å; D188-V192 VanDerWaalsContact O-N 3.16Å; Q190-V192 VanDerWaalsContact C-N 3.31Å; V192-S194 VanDerWaalsContact C-N 3.34Å; V192-S194 PolarHBondContact O-N 3.38Å; V192-A195 PolarHBondContact O-N 3.42Å; V192-L196 WeakPolarHBondContact O-CB 3.28Å; V192-L196 PolarHBondContact O-N 2.69Å; V192-P318 HydrophobicContact CG1-CG 3.85Å
193	A	95.8	Very high	92.7	Very high	15 Å²	15	52.3 Å²	52.3	12%	0.124	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-44.4	178.8	0	0	0	0	0	111.9	S189 Q190 L196 Q197	S189-A193 WeakPolarHBondContact O-CB 3.16Å; S189-A193 PolarHBondContact O-N 3.04Å; Q190-A193 PolarHBondContact O-N 2.69Å; A193-L196 PolarHBondContact O-N 3.02Å; A193-Q197 VanDerWaalsContact O-CB 3.28Å; A193-Q197 WeakPolarHBondContact O-CB 3.49Å; A193-Q197 PolarHBondContact O-N 2.87Å
194	S	96.4	Very high	93	Very high	58 Å²	58	46.9 Å²	46.9	41%	0.406	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-45.1	177.1	-177.4	0	0	0	0	112.5	Q190 A191 V192 L196 Q197 S198	Q190-S194 PolarHBondContact O-N 3.31Å; A191-S194 PolarHBondContact O-N 3.44Å; V192-S194 VanDerWaalsContact C-N 3.34Å; V192-S194 PolarHBondContact O-N 3.38Å; S194-L196 VanDerWaalsContact C-N 3.35Å; S194-L196 PolarHBondContact O-N 3.06Å; S194-Q197 PolarHBondContact O-N 2.86Å; S194-S198 WeakPolarHBondContact O-CB 3.5Å; S194-S198 PolarHBondContact O-N 3.24Å
195	A	97.4	Very high	93.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-39.2	178.5	0	0	0	0	0	112.3	H180 L181 T184 A191 V192 S198 C199	H180-A195 VanDerWaalsContact CD2-CB 3.46Å; H180-A195 WeakPolarHBondContact CD2-CB 3.1Å; L181-A195 HydrophobicContact CB-CB 4.49Å; L181-A195 HydrophobicContact CD1-CB 3.94Å; T184-A195 HydrophobicContact CG2-CB 4.39Å; A191-A195 PolarHBondContact O-N 3.15Å; V192-A195 PolarHBondContact O-N 3.42Å; A195-S198 WeakPolarHBondContact O-CB 3.22Å; A195-S198 PolarHBondContact O-N 3.36Å; A195-C199 PolarHBondContact O-N 3.38Å; A195-C199 VanDerWaalsContact O-N 3.12Å; A195-C199 PolarHBondContact O-SG 2.85Å; A195-C199 VanDerWaalsContact O-SG 3.37Å
196	L	98	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-43.4	175.9	-179.1	58.7	0	0	0	111.6	F153 I159 L181 V192 A193 S194 S198 C199 F200 F258 Y316 P318	F153-L196 HydrophobicContact CB-CD2 3.82Å; F153-L196 HydrophobicContact CD1-CD1 4.19Å; F153-L196 HydrophobicContact CD1-CD2 3.93Å; F153-L196 HydrophobicContact CD1-CG 4.25Å; F153-L196 HydrophobicContact CD2-CD2 4.21Å; F153-L196 HydrophobicContact CG-CD2 3.73Å; F153-L196 HydrophobicContact CG-CG 4.5Å; I159-L196 HydrophobicContact CD1-CD1 3.51Å; L181-L196 HydrophobicContact CD1-CB 4.25Å; V192-L196 WeakPolarHBondContact O-CB 3.28Å; V192-L196 PolarHBondContact O-N 2.69Å; A193-L196 PolarHBondContact O-N 3.02Å; S194-L196 VanDerWaalsContact C-N 3.35Å; S194-L196 PolarHBondContact O-N 3.06Å; L196-S198 VanDerWaalsContact C-N 3.3Å; L196-S198 PolarHBondContact O-N 3.46Å; L196-C199 PolarHBondContact O-N 3.29Å; L196-F200 WeakPolarHBondContact O-CB 3.34Å; L196-F200 PolarHBondContact O-N 3.45Å; L196-F258 HydrophobicContact CD1-CD1 3.82Å; L196-F258 HydrophobicContact CD1-CE1 3.93Å; L196-Y316 HydrophobicContact CB-CD1 4.49Å; L196-Y316 HydrophobicContact CD2-CD1 4.33Å; L196-Y316 HydrophobicContact CG-CD1 4.01Å; L196-P318 HydrophobicContact CD2-CB 4.47Å
197	Q	98.4	Very high	95.4	Very high	65 Å²	65	53.1 Å²	53.1	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-57.8	-43.4	173.2	178.6	175.5	34.4	0	0	111.6	A193 S194 F200 S201 C311 Y316	A193-Q197 VanDerWaalsContact O-CB 3.28Å; A193-Q197 WeakPolarHBondContact O-CB 3.49Å; A193-Q197 PolarHBondContact O-N 2.87Å; S194-Q197 PolarHBondContact O-N 2.86Å; Q197-F200 PolarHBondContact O-N 3.28Å; Q197-S201 WeakPolarHBondContact O-CB 3.48Å; Q197-S201 PolarHBondContact O-N 2.72Å; Q197-S201 PolarHBondContact O-OG 2.83Å; Q197-C311 PolarHBondContact NE2-O 3.23Å; Q197-Y316 VanDerWaalsContact CA-CE1 3.46Å; Q197-Y316 HydrophobicContact CB-CD1 4.01Å; Q197-Y316 HydrophobicContact CB-CD2 3.71Å; Q197-Y316 HydrophobicContact CB-CE1 3.93Å; Q197-Y316 HydrophobicContact CB-CE2 3.62Å; Q197-Y316 HydrophobicContact CB-CG 3.89Å; Q197-Y316 HydrophobicContact CG-CD2 4.02Å; Q197-Y316 HydrophobicContact CG-CE1 4.29Å; Q197-Y316 HydrophobicContact CG-CE2 3.45Å; Q197-Y316 VanDerWaalsContact CG-CE2 3.45Å
198	S	98.1	Very high	96.2	Very high	40 Å²	40	56.2 Å²	56.2	28%	0.28	30%	0.296	S	S	.	.	H	α-helix	trans	-59	-50.2	176.6	-177.1	0	0	0	0	111.4	S194 A195 L196 S201 H202	S194-S198 WeakPolarHBondContact O-CB 3.5Å; S194-S198 PolarHBondContact O-N 3.24Å; A195-S198 WeakPolarHBondContact O-CB 3.22Å; A195-S198 PolarHBondContact O-N 3.36Å; L196-S198 VanDerWaalsContact C-N 3.3Å; L196-S198 PolarHBondContact O-N 3.46Å; S198-S201 PolarHBondContact O-N 3.48Å; S198-H202 PolarHBondContact O-CD2 2.81Å; S198-H202 VanDerWaalsContact O-CD2 3.24Å; S198-H202 PolarHBondContact O-N 3.04Å
199	C	98.5	Very high	96.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-50.4	177.3	-67.1	0	0	0	0	112.2	I173 A177 A195 L196 S201 H202 L203 F258	I173-C199 VanDerWaalsContact CD1-O 3.26Å; I173-C199 WeakPolarHBondContact CD1-O 3Å; I173-C199 HydrophobicContact CG2-CB 3.93Å; A177-C199 PolarHBondContact O-SG 2.82Å; A177-C199 VanDerWaalsContact O-SG 3.33Å; A195-C199 PolarHBondContact O-N 3.38Å; A195-C199 VanDerWaalsContact O-N 3.12Å; A195-C199 PolarHBondContact O-SG 2.85Å; A195-C199 VanDerWaalsContact O-SG 3.37Å; L196-C199 PolarHBondContact O-N 3.29Å; C199-S201 VanDerWaalsContact C-N 3.29Å; C199-S201 PolarHBondContact O-N 3.38Å; C199-H202 WeakPolarHBondContact O-CB 3.38Å; C199-H202 PolarHBondContact O-N 2.97Å; C199-L203 PolarHBondContact O-N 3.38Å; C199-L203 VanDerWaalsContact O-N 3.16Å; C199-F258 HydrophobicContact CB-CE1 3.91Å; C199-F258 HydrophobicContact CB-CZ 3.89Å
200	F	98.6	Very high	97.2	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-39.7	-180	-171.5	-103	0	0	0	111.5	F153 L196 Q197 H202 L203 M204 F258 A298 L310 L314 Y316	F153-F200 HydrophobicContact CE1-CB 4.45Å; F153-F200 AromaticContact CE1-CD2 3.82Å; F153-F200 HydrophobicContact CE1-CD2 3.82Å; F153-F200 HydrophobicContact CE1-CE2 4.26Å; F153-F200 HydrophobicContact CE1-CG 4.12Å; F153-F200 HydrophobicContact CZ-CD1 4.45Å; F153-F200 HydrophobicContact CZ-CD2 4.21Å; F153-F200 HydrophobicContact CZ-CG 4.18Å; L196-F200 WeakPolarHBondContact O-CB 3.34Å; L196-F200 PolarHBondContact O-N 3.45Å; Q197-F200 PolarHBondContact O-N 3.28Å; F200-H202 PolarHBondContact O-N 2.96Å; F200-L203 PolarHBondContact O-N 3.43Å; F200-M204 HydrophobicContact CD1-CG 3.9Å; F200-M204 HydrophobicContact CE1-CG 3.53Å; F200-M204 HydrophobicContact CE1-SD 4.27Å; F200-M204 HydrophobicContact CE2-CG 4.38Å; F200-M204 HydrophobicContact CE2-SD 4.41Å; F200-M204 HydrophobicContact CG-CG 4.47Å; F200-M204 HydrophobicContact CZ-CG 3.8Å; F200-M204 HydrophobicContact CZ-SD 3.94Å; F200-M204 WeakPolarHBondContact O-CG 3.36Å; F200-M204 PolarHBondContact O-N 2.92Å; F200-F258 HydrophobicContact CB-CZ 4.47Å; F200-F258 HydrophobicContact CD2-CB 4.39Å; F200-F258 HydrophobicContact CD2-CD1 4.48Å; F200-F258 AromaticContact CD2-CD2 3.82Å; F200-F258 HydrophobicContact CD2-CD2 3.82Å; F200-F258 HydrophobicContact CD2-CE2 4.12Å; F200-F258 AromaticContact CD2-CG 3.99Å; F200-F258 HydrophobicContact CD2-CG 3.99Å; F200-F258 HydrophobicContact CE2-CD2 4.41Å; F200-A298 HydrophobicContact CZ-CB 4.41Å; F200-L310 HydrophobicContact CE1-CD2 3.96Å; F200-L310 HydrophobicContact CE1-CG 4.16Å; F200-L310 HydrophobicContact CZ-CD2 4.3Å; F200-L314 HydrophobicContact CD1-CD1 4.1Å; F200-L314 HydrophobicContact CE1-CD1 3.61Å; F200-L314 HydrophobicContact CZ-CD1 4.17Å; F200-Y316 HydrophobicContact CB-CE1 3.92Å; F200-Y316 HydrophobicContact CD1-CE1 4.05Å; F200-Y316 HydrophobicContact CG-CE1 4.19Å
201	S	98.4	Very high	97.5	Very high	12 Å²	12	49 Å²	49	8%	0.084	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-38.2	176.3	-62.5	0	0	0	0	112.8	Q197 S198 C199 M204 K205	Q197-S201 WeakPolarHBondContact O-CB 3.48Å; Q197-S201 PolarHBondContact O-N 2.72Å; Q197-S201 PolarHBondContact O-OG 2.83Å; S198-S201 PolarHBondContact O-N 3.48Å; C199-S201 VanDerWaalsContact C-N 3.29Å; C199-S201 PolarHBondContact O-N 3.38Å; S201-M204 PolarHBondContact O-N 3.42Å; S201-K205 VanDerWaalsContact O-CB 3.29Å; S201-K205 WeakPolarHBondContact O-CB 3.49Å; S201-K205 VanDerWaalsContact O-CG 3.23Å; S201-K205 WeakPolarHBondContact O-CG 3.44Å; S201-K205 PolarHBondContact O-N 3.47Å
202	H	98.1	Very high	97.8	Very high	82 Å²	82	48.8 Å²	48.8	38%	0.38	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-45.4	174.7	-87.6	-133.1	0	0	0	111.5	I173 S198 C199 F200 S206	I173-H202 PolarHBondContact O-ND1 2.83Å; S198-H202 PolarHBondContact O-CD2 2.81Å; S198-H202 VanDerWaalsContact O-CD2 3.24Å; S198-H202 PolarHBondContact O-N 3.04Å; C199-H202 WeakPolarHBondContact O-CB 3.38Å; C199-H202 PolarHBondContact O-N 2.97Å; F200-H202 PolarHBondContact O-N 2.96Å; H202-S206 PolarHBondContact O-N 2.69Å; H202-S206 PolarHBondContact O-OG 2.84Å
203	L	98.5	Very high	97.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-57.8	172.5	178.9	62.6	0	0	0	110	F169 L172 I173 C199 F200 K205 S206 I251 F254 F258	F169-L203 HydrophobicContact CE2-CD2 4.47Å; L172-L203 HydrophobicContact CB-CD1 4.09Å; L172-L203 HydrophobicContact CD1-CD1 3.87Å; I173-L203 HydrophobicContact CD1-CB 3.79Å; C199-L203 PolarHBondContact O-N 3.38Å; C199-L203 VanDerWaalsContact O-N 3.16Å; F200-L203 PolarHBondContact O-N 3.43Å; L203-K205 PolarHBondContact O-N 2.7Å; L203-K205 VanDerWaalsContact O-N 3.15Å; L203-S206 WeakPolarHBondContact O-CB 3.35Å; L203-S206 PolarHBondContact O-N 3.46Å; L203-S206 PolarHBondContact O-OG 2.94Å; L203-I251 HydrophobicContact CD1-CD1 4.27Å; L203-I251 HydrophobicContact CD1-CG1 3.96Å; L203-I251 HydrophobicContact CD2-CG1 4.44Å; L203-I251 HydrophobicContact CG-CD1 4.03Å; L203-I251 HydrophobicContact CG-CG1 3.93Å; L203-I251 WeakPolarHBondContact O-CD1 3.05Å; L203-F254 HydrophobicContact CD1-CB 3.87Å; L203-F254 HydrophobicContact CD1-CG 4.42Å; L203-F254 HydrophobicContact CD2-CB 3.98Å; L203-F258 HydrophobicContact CB-CE2 4.26Å; L203-F258 HydrophobicContact CD2-CD2 3.99Å; L203-F258 HydrophobicContact CD2-CE2 3.72Å
204	M	98.3	Very high	98.1	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-24.8	-172.6	-66.8	-48.9	-55.2	0	0	114.6	F200 S201 I251 A298 I305 V307 L310	F200-M204 HydrophobicContact CD1-CG 3.9Å; F200-M204 HydrophobicContact CE1-CG 3.53Å; F200-M204 HydrophobicContact CE1-SD 4.27Å; F200-M204 HydrophobicContact CE2-CG 4.38Å; F200-M204 HydrophobicContact CE2-SD 4.41Å; F200-M204 HydrophobicContact CG-CG 4.47Å; F200-M204 HydrophobicContact CZ-CG 3.8Å; F200-M204 HydrophobicContact CZ-SD 3.94Å; F200-M204 WeakPolarHBondContact O-CG 3.36Å; F200-M204 PolarHBondContact O-N 2.92Å; S201-M204 PolarHBondContact O-N 3.42Å; M204-I251 HydrophobicContact CE-CD1 4.09Å; M204-I251 HydrophobicContact CE-CG2 4.27Å; M204-I251 HydrophobicContact SD-CD1 3.85Å; M204-I251 HydrophobicContact SD-CG1 4.35Å; M204-A298 HydrophobicContact CE-CB 4.36Å; M204-A298 VanDerWaalsContact CE-O 3.32Å; M204-A298 WeakPolarHBondContact CE-O 3.42Å; M204-I305 HydrophobicContact CE-CG2 4.19Å; M204-V307 HydrophobicContact CB-CG1 3.88Å; M204-V307 HydrophobicContact CE-CG2 4.41Å; M204-L310 HydrophobicContact CE-CD2 3.74Å; M204-L310 HydrophobicContact CG-CD2 4.11Å; M204-L310 HydrophobicContact SD-CD2 4.27Å
205	K	97.8	Very high	98.2	Very high	149 Å²	149	50 Å²	50	65%	0.648	24%	0.243	S	C	*	.	H	α-helix	trans	-91.9	-4.3	176.7	-66.8	172.7	-176.6	175.6	0	113.5	S201 L203 V307	S201-K205 VanDerWaalsContact O-CB 3.29Å; S201-K205 WeakPolarHBondContact O-CB 3.49Å; S201-K205 VanDerWaalsContact O-CG 3.23Å; S201-K205 WeakPolarHBondContact O-CG 3.44Å; S201-K205 PolarHBondContact O-N 3.47Å; L203-K205 PolarHBondContact O-N 2.7Å; L203-K205 VanDerWaalsContact O-N 3.15Å; K205-V307 HydrophobicContact CG-CG1 4.05Å
206	S	97.8	Very high	98.2	Very high	28 Å²	28	54 Å²	54	20%	0.196	26%	0.264	C	S	.	.	S	Bend	trans	-61.5	143	178.3	-69.5	0	0	0	0	111.5	H202 L203 K208	H202-S206 PolarHBondContact O-N 2.69Å; H202-S206 PolarHBondContact O-OG 2.84Å; L203-S206 WeakPolarHBondContact O-CB 3.35Å; L203-S206 PolarHBondContact O-N 3.46Å; L203-S206 PolarHBondContact O-OG 2.94Å; S206-K208 PolarHBondContact O-N 3.47Å
207	E	97.6	Very high	98.3	Very high	142 Å²	142	58.3 Å²	58.3	66%	0.664	29%	0.286	S	S	*	.			trans	-62.9	134	176.9	-66.6	-174.2	-172.7	0	0	111	K209 V210 V211	E207-K209 PolarHBondContact O-N 3.39Å; E207-K209 VanDerWaalsContact O-N 3.09Å; E207-V210 HydrophobicContact CB-CB 4.35Å; E207-V210 HydrophobicContact CB-CG2 4.01Å; E207-V210 WeakPolarHBondContact O-CB 3.45Å; E207-V210 PolarHBondContact O-N 3.42Å; E207-V211 PolarHBondContact O-N 3.3Å
208	K	96.7	Very high	98.3	Very high	186 Å²	186	55.2 Å²	55.2	81%	0.809	27%	0.272	S	S	*	.	H	α-helix	trans	-52.5	-37.9	-178.4	-66.9	-174.1	177.8	-175.5	0	113.3	S206 V211 A212	S206-K208 PolarHBondContact O-N 3.47Å; K208-V211 PolarHBondContact O-N 3.01Å; K208-A212 WeakPolarHBondContact O-CB 3.32Å; K208-A212 PolarHBondContact O-N 3.37Å
209	K	98.2	Very high	98.3	Very high	150 Å²	150	54.3 Å²	54.3	65%	0.652	27%	0.265	S	S	*	.	H	α-helix	trans	-64.6	-45.2	178.1	-174	-177.5	174.7	-166.9	0	111.4	E207 A212 E213	E207-K209 PolarHBondContact O-N 3.39Å; E207-K209 VanDerWaalsContact O-N 3.09Å; K209-A212 PolarHBondContact O-N 2.94Å; K209-E213 WeakPolarHBondContact CE-OE1 3.46Å; K209-E213 IonicContact NZ-OE1 3.99Å; K209-E213 WeakPolarHBondContact O-CG 3.33Å; K209-E213 PolarHBondContact O-N 2.85Å
210	V	98.5	Very high	98.3	Very high	41 Å²	41	60.3 Å²	60.3	25%	0.248	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-43.1	178.2	179	0	0	0	0	110.6	F171 L172 E207 A212 E213 Q214	F171-V210 HydrophobicContact CE1-CG1 3.78Å; L172-V210 HydrophobicContact CD2-CG1 3.94Å; E207-V210 HydrophobicContact CB-CB 4.35Å; E207-V210 HydrophobicContact CB-CG2 4.01Å; E207-V210 WeakPolarHBondContact O-CB 3.45Å; E207-V210 PolarHBondContact O-N 3.42Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 2.93Å; V210-E213 PolarHBondContact O-N 3.19Å; V210-Q214 HydrophobicContact CG1-CG 4.37Å; V210-Q214 WeakPolarHBondContact O-CB 3.45Å; V210-Q214 WeakPolarHBondContact O-CG 3.23Å; V210-Q214 PolarHBondContact O-N 3.05Å
211	V	98.5	Very high	98.3	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-57.1	-48	174.3	173	0	0	0	0	111	L172 E207 K208 E213 Q214 L215 I251 F254	L172-V211 HydrophobicContact CD2-CG2 4.19Å; E207-V211 PolarHBondContact O-N 3.3Å; K208-V211 PolarHBondContact O-N 3.01Å; V211-E213 PolarHBondContact O-N 3.26Å; V211-Q214 PolarHBondContact O-N 3.18Å; V211-L215 VanDerWaalsContact O-CB 3.3Å; V211-L215 WeakPolarHBondContact O-CB 3.45Å; V211-L215 PolarHBondContact O-N 3.04Å; V211-I251 HydrophobicContact CG1-CB 4.06Å; V211-I251 HydrophobicContact CG1-CG1 4.33Å; V211-I251 HydrophobicContact CG2-CD1 4.4Å; V211-I251 HydrophobicContact CG2-CG1 4.46Å; V211-F254 HydrophobicContact CG1-CD2 4.34Å
212	A	98.6	Very high	98.3	Very high	27 Å²	27	62.2 Å²	62.2	22%	0.223	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-40.6	179.1	0	0	0	0	0	112.5	K208 K209 V210 L215 N216	K208-A212 WeakPolarHBondContact O-CB 3.32Å; K208-A212 PolarHBondContact O-N 3.37Å; K209-A212 PolarHBondContact O-N 2.94Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 2.93Å; A212-L215 PolarHBondContact O-N 3.03Å; A212-N216 WeakPolarHBondContact O-CB 3.44Å; A212-N216 PolarHBondContact O-N 3.46Å; A212-N216 PolarHBondContact O-ND2 3.19Å; A212-N216 VanDerWaalsContact O-ND2 3.15Å
213	E	98.6	Very high	98.3	Very high	91 Å²	91	60.8 Å²	60.8	43%	0.425	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-49.5	175.4	-74.8	171.8	-179	0	0	111.7	K209 V210 V211 L215 N216 L217	K209-E213 WeakPolarHBondContact CE-OE1 3.46Å; K209-E213 IonicContact NZ-OE1 3.99Å; K209-E213 WeakPolarHBondContact O-CG 3.33Å; K209-E213 PolarHBondContact O-N 2.85Å; V210-E213 PolarHBondContact O-N 3.19Å; V211-E213 PolarHBondContact O-N 3.26Å; E213-L215 VanDerWaalsContact C-N 3.35Å; E213-L215 PolarHBondContact O-N 3.27Å; E213-N216 PolarHBondContact O-N 2.66Å; E213-L217 WeakPolarHBondContact O-CG 3.39Å; E213-L217 PolarHBondContact O-N 3.44Å; E213-L217 VanDerWaalsContact O-N 3.08Å
214	Q	98.8	Very high	98.3	Very high	24 Å²	24	66 Å²	66	11%	0.112	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-39.1	177.9	-68.6	-53.8	-52.3	0	0	112.1	E168 F171 L172 V210 V211 L217 L218 F254	E168-Q214 HydrophobicContact CB-CB 4.2Å; F171-Q214 HydrophobicContact CD1-CG 3.65Å; F171-Q214 HydrophobicContact CE1-CG 4.11Å; F171-Q214 HydrophobicContact CG-CG 4.47Å; L172-Q214 HydrophobicContact CD1-CB 4.14Å; L172-Q214 HydrophobicContact CD2-CB 4.34Å; L172-Q214 HydrophobicContact CD2-CG 3.95Å; L172-Q214 HydrophobicContact CG-CB 4.22Å; L172-Q214 HydrophobicContact CG-CG 4.09Å; V210-Q214 HydrophobicContact CG1-CG 4.37Å; V210-Q214 WeakPolarHBondContact O-CB 3.45Å; V210-Q214 WeakPolarHBondContact O-CG 3.23Å; V210-Q214 PolarHBondContact O-N 3.05Å; V211-Q214 PolarHBondContact O-N 3.18Å; Q214-L217 PolarHBondContact O-N 3.22Å; Q214-L218 WeakPolarHBondContact O-CB 3.19Å; Q214-L218 PolarHBondContact O-N 2.91Å; Q214-F254 HydrophobicContact CB-CE2 4.31Å; Q214-F254 HydrophobicContact CB-CZ 4.02Å
215	L	98.7	Very high	98.3	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-42.5	176.4	-174.1	58.5	0	0	0	111.5	V211 A212 E213 L217 L218 V219 L240 H244 C253 F254	V211-L215 VanDerWaalsContact O-CB 3.3Å; V211-L215 WeakPolarHBondContact O-CB 3.45Å; V211-L215 PolarHBondContact O-N 3.04Å; A212-L215 PolarHBondContact O-N 3.03Å; E213-L215 VanDerWaalsContact C-N 3.35Å; E213-L215 PolarHBondContact O-N 3.27Å; L215-L217 VanDerWaalsContact C-N 3.33Å; L215-L217 PolarHBondContact O-N 3.43Å; L215-L218 PolarHBondContact O-N 3.02Å; L215-V219 HydrophobicContact CD1-CG2 4.31Å; L215-V219 HydrophobicContact CG-CG2 4.38Å; L215-V219 WeakPolarHBondContact O-CB 3.33Å; L215-V219 VanDerWaalsContact O-CG2 3.27Å; L215-V219 WeakPolarHBondContact O-CG2 3.43Å; L215-V219 PolarHBondContact O-N 3.04Å; L215-L240 HydrophobicContact CD1-CD1 4.21Å; L215-L240 HydrophobicContact CD1-CD2 4.34Å; L215-L240 HydrophobicContact CD1-CG 4.39Å; L215-H244 WeakPolarHBondContact CD2-ND1 3.24Å; L215-C253 HydrophobicContact CD1-CB 3.63Å; L215-C253 HydrophobicContact CD2-CB 3.83Å; L215-C253 HydrophobicContact CG-CB 4.41Å; L215-F254 HydrophobicContact CB-CE2 3.82Å; L215-F254 HydrophobicContact CB-CZ 4.35Å; L215-F254 HydrophobicContact CD1-CE2 4.14Å; L215-F254 HydrophobicContact CD1-CZ 4.42Å
216	N	98.6	Very high	98.2	Very high	84 Å²	84	65.6 Å²	65.6	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-63.4	-38.3	177.3	-72.1	-25.8	0	0	0	112.2	A212 E213 K220 H244	A212-N216 WeakPolarHBondContact O-CB 3.44Å; A212-N216 PolarHBondContact O-N 3.46Å; A212-N216 PolarHBondContact O-ND2 3.19Å; A212-N216 VanDerWaalsContact O-ND2 3.15Å; E213-N216 PolarHBondContact O-N 2.66Å; N216-K220 VanDerWaalsContact O-CB 3.31Å; N216-K220 WeakPolarHBondContact O-CB 3.29Å; N216-K220 PolarHBondContact O-N 3.33Å; N216-H244 PolarHBondContact OD1-CE1 3.36Å
217	L	98.8	Very high	98.1	Very high	89 Å²	89	68.6 Å²	68.6	47%	0.466	35%	0.352	S	S	.	.	H	α-helix	trans	-62.1	-46.5	173.5	-70.1	174.5	0	0	0	111.4	E168 E213 Q214 L215 K220 R221	E168-L217 HydrophobicContact CG-CB 3.97Å; E213-L217 WeakPolarHBondContact O-CG 3.39Å; E213-L217 PolarHBondContact O-N 3.44Å; E213-L217 VanDerWaalsContact O-N 3.08Å; Q214-L217 PolarHBondContact O-N 3.22Å; L215-L217 VanDerWaalsContact C-N 3.33Å; L215-L217 PolarHBondContact O-N 3.43Å; L217-K220 PolarHBondContact O-N 3.29Å; L217-R221 PolarHBondContact O-N 3.25Å
218	L	98.8	Very high	98.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-46.5	179.1	178.1	56	0	0	0	112	V166 E168 Q214 L215 K220 R221 I222 L240 F254 Y257	V166-L218 HydrophobicContact CG1-CD1 3.76Å; V166-L218 HydrophobicContact CG1-CD2 3.83Å; V166-L218 HydrophobicContact CG1-CG 4.45Å; E168-L218 HydrophobicContact CB-CB 4.09Å; E168-L218 HydrophobicContact CG-CB 3.9Å; Q214-L218 WeakPolarHBondContact O-CB 3.19Å; Q214-L218 PolarHBondContact O-N 2.91Å; L215-L218 PolarHBondContact O-N 3.02Å; L218-K220 VanDerWaalsContact C-N 3.34Å; L218-K220 PolarHBondContact O-N 3.47Å; L218-R221 PolarHBondContact O-N 3.33Å; L218-I222 HydrophobicContact CD1-CD1 3.63Å; L218-I222 HydrophobicContact CD1-CG1 4.08Å; L218-I222 HydrophobicContact CG-CD1 3.8Å; L218-I222 WeakPolarHBondContact O-CG1 3.39Å; L218-I222 PolarHBondContact O-N 3.06Å; L218-L240 HydrophobicContact CB-CD2 4.41Å; L218-L240 HydrophobicContact CD1-CD2 4.43Å; L218-L240 HydrophobicContact CD2-CD1 3.84Å; L218-L240 HydrophobicContact CD2-CD2 3.45Å; L218-L240 VanDerWaalsContact CD2-CD2 3.45Å; L218-L240 HydrophobicContact CD2-CG 4.3Å; L218-L240 HydrophobicContact CG-CD2 3.45Å; L218-L240 VanDerWaalsContact CG-CD2 3.45Å; L218-F254 HydrophobicContact CD2-CD1 4.41Å; L218-F254 HydrophobicContact CD2-CE1 3.67Å; L218-F254 HydrophobicContact CD2-CZ 4.14Å; L218-Y257 HydrophobicContact CD2-CE2 4.17Å
219	V	98.6	Very high	98.1	Very high	21 Å²	21	59.6 Å²	59.6	13%	0.127	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-45.2	176.1	165.9	0	0	0	0	110.8	L215 R221 I222 S223 L240 L241 H244	L215-V219 HydrophobicContact CD1-CG2 4.31Å; L215-V219 HydrophobicContact CG-CG2 4.38Å; L215-V219 WeakPolarHBondContact O-CB 3.33Å; L215-V219 VanDerWaalsContact O-CG2 3.27Å; L215-V219 WeakPolarHBondContact O-CG2 3.43Å; L215-V219 PolarHBondContact O-N 3.04Å; V219-R221 PolarHBondContact O-N 2.79Å; V219-I222 PolarHBondContact O-N 2.99Å; V219-S223 VanDerWaalsContact O-CB 3.28Å; V219-S223 WeakPolarHBondContact O-CB 3.25Å; V219-S223 PolarHBondContact O-N 2.85Å; V219-S223 PolarHBondContact O-OG 2.9Å; V219-L240 HydrophobicContact CG2-CD2 4.31Å; V219-L241 HydrophobicContact CB-CD2 4.32Å; V219-L241 HydrophobicContact CG1-CD2 3.81Å; V219-L241 HydrophobicContact CG2-CD2 4.34Å; V219-H244 HydrophobicContact CG2-CB 3.82Å
220	K	98.6	Very high	98	Very high	127 Å²	127	56.3 Å²	56.3	55%	0.552	33%	0.332	S	S	*	.	H	α-helix	trans	-60.1	-46.4	175.9	-178.4	-179.8	178.2	-177.8	0	111	N216 L217 L218 S223 Q224	N216-K220 VanDerWaalsContact O-CB 3.31Å; N216-K220 WeakPolarHBondContact O-CB 3.29Å; N216-K220 PolarHBondContact O-N 3.33Å; L217-K220 PolarHBondContact O-N 3.29Å; L218-K220 VanDerWaalsContact C-N 3.34Å; L218-K220 PolarHBondContact O-N 3.47Å; K220-S223 PolarHBondContact O-N 3.35Å; K220-Q224 WeakPolarHBondContact O-CB 2.88Å; K220-Q224 VanDerWaalsContact O-CG 3.25Å; K220-Q224 WeakPolarHBondContact O-CG 3.23Å; K220-Q224 PolarHBondContact O-N 2.74Å
221	R	98.6	Very high	97.8	Very high	53 Å²	53	59.4 Å²	59.4	20%	0.2	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-51.4	178.7	-174.7	179	72.5	-147.3	-5.5	111.3	P167 E168 L217 L218 V219 S223 Q224 Q225	P167-R221 VanDerWaalsContact CD-NH1 3.26Å; E168-R221 IonicContact OE1-CZ 3.76Å; E168-R221 VanDerWaalsContact OE1-CZ 3.29Å; E168-R221 IonicContact OE1-NE 3.04Å; E168-R221 IonicContact OE1-NH1 2.75Å; E168-R221 PolarHBondContact OE1-NH1 2.78Å; E168-R221 IonicContact OE1-NH2 3.95Å; E168-R221 IonicContact OE2-CZ 3.29Å; E168-R221 IonicContact OE2-NH1 2.79Å; E168-R221 PolarHBondContact OE2-NH1 2.91Å; E168-R221 IonicContact OE2-NH2 3.74Å; E168-R221 PolarHBondContact OE2-NH2 2.94Å; L217-R221 PolarHBondContact O-N 3.25Å; L218-R221 PolarHBondContact O-N 3.33Å; V219-R221 PolarHBondContact O-N 2.79Å; R221-S223 VanDerWaalsContact C-N 3.34Å; R221-S223 PolarHBondContact O-N 3.14Å; R221-Q224 PolarHBondContact O-N 3.35Å; R221-Q225 HydrophobicContact CG-CG 4.4Å; R221-Q225 VanDerWaalsContact O-CG 3.3Å; R221-Q225 WeakPolarHBondContact O-CG 3.16Å; R221-Q225 PolarHBondContact O-N 2.81Å
222	I	98.4	Very high	97.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-59.9	-46.9	-179.6	-70.1	162.3	0	0	0	110.3	L218 V219 Q224 Q225 V226 M232 I235 L240 L241	L218-I222 HydrophobicContact CD1-CD1 3.63Å; L218-I222 HydrophobicContact CD1-CG1 4.08Å; L218-I222 HydrophobicContact CG-CD1 3.8Å; L218-I222 WeakPolarHBondContact O-CG1 3.39Å; L218-I222 PolarHBondContact O-N 3.06Å; V219-I222 PolarHBondContact O-N 2.99Å; I222-Q224 VanDerWaalsContact C-N 3.3Å; I222-Q224 PolarHBondContact O-N 3.08Å; I222-Q225 PolarHBondContact O-N 3.38Å; I222-Q225 VanDerWaalsContact O-N 3.15Å; I222-V226 HydrophobicContact CG2-CG2 4.21Å; I222-V226 WeakPolarHBondContact O-CG2 3.39Å; I222-V226 PolarHBondContact O-N 2.84Å; I222-M232 HydrophobicContact CG1-CE 4.28Å; I222-M232 HydrophobicContact CG2-CB 4.39Å; I222-M232 HydrophobicContact CG2-CG 4.35Å; I222-I235 HydrophobicContact CD1-CD1 4.18Å; I222-I235 HydrophobicContact CG1-CD1 4.02Å; I222-L240 HydrophobicContact CD1-CB 4.35Å; I222-L240 HydrophobicContact CD1-CD2 3.28Å; I222-L240 HydrophobicContact CD1-CG 4.42Å; I222-L241 HydrophobicContact CB-CD2 4.48Å; I222-L241 HydrophobicContact CG2-CD1 3.84Å; I222-L241 HydrophobicContact CG2-CD2 4.24Å; I222-L241 HydrophobicContact CG2-CG 3.94Å
223	S	97.9	Very high	97.6	Very high	52 Å²	52	66 Å²	66	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-40.9	179.5	-57.4	0	0	0	0	112.2	V219 K220 R221 A227	V219-S223 VanDerWaalsContact O-CB 3.28Å; V219-S223 WeakPolarHBondContact O-CB 3.25Å; V219-S223 PolarHBondContact O-N 2.85Å; V219-S223 PolarHBondContact O-OG 2.9Å; K220-S223 PolarHBondContact O-N 3.35Å; R221-S223 VanDerWaalsContact C-N 3.34Å; R221-S223 PolarHBondContact O-N 3.14Å; S223-A227 VanDerWaalsContact O-CB 3.29Å; S223-A227 WeakPolarHBondContact O-CB 3.11Å; S223-A227 PolarHBondContact O-N 3.42Å
224	Q	98.2	Very high	97.4	Very high	110 Å²	110	65.4 Å²	65.4	51%	0.514	37%	0.374	S	S	.	.	H	α-helix	trans	-66.4	-41	176	-74.1	175.8	-24.2	0	0	112.5	K220 R221 I222 A227 A228	K220-Q224 WeakPolarHBondContact O-CB 2.88Å; K220-Q224 VanDerWaalsContact O-CG 3.25Å; K220-Q224 WeakPolarHBondContact O-CG 3.23Å; K220-Q224 PolarHBondContact O-N 2.74Å; R221-Q224 PolarHBondContact O-N 3.35Å; I222-Q224 VanDerWaalsContact C-N 3.3Å; I222-Q224 PolarHBondContact O-N 3.08Å; Q224-A227 PolarHBondContact O-N 3.12Å; Q224-A228 WeakPolarHBondContact O-CB 3.47Å; Q224-A228 PolarHBondContact O-N 3.31Å
225	Q	97.8	Very high	97.4	Very high	69 Å²	69	64.5 Å²	64.5	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-66.7	-43.2	177.8	-66.9	-61.4	-38.2	0	0	111.7	R221 I222 A228 G229 N230 M232	R221-Q225 HydrophobicContact CG-CG 4.4Å; R221-Q225 VanDerWaalsContact O-CG 3.3Å; R221-Q225 WeakPolarHBondContact O-CG 3.16Å; R221-Q225 PolarHBondContact O-N 2.81Å; I222-Q225 PolarHBondContact O-N 3.38Å; I222-Q225 VanDerWaalsContact O-N 3.15Å; Q225-A228 CarbonylContact O-C 3.6Å; Q225-A228 WeakPolarHBondContact O-CB 3.39Å; Q225-A228 PolarHBondContact O-N 2.77Å; Q225-A228 VanDerWaalsContact O-N 3.15Å; Q225-G229 PolarHBondContact O-N 2.75Å; Q225-N230 HydrophobicContact CB-CB 4.33Å; Q225-N230 WeakPolarHBondContact O-CB 3.23Å; Q225-N230 PolarHBondContact O-N 3.04Å; Q225-N230 PolarHBondContact OE1-ND2 3.35Å; Q225-M232 HydrophobicContact CB-CE 4.25Å; Q225-M232 HydrophobicContact CB-CG 3.94Å; Q225-M232 HydrophobicContact CB-SD 3.39Å; Q225-M232 WeakPolarHBondContact CB-SD 3.38Å; Q225-M232 HydrophobicContact CG-CE 4.27Å; Q225-M232 HydrophobicContact CG-SD 3.89Å
226	V	95.9	Very high	97.3	Very high	80 Å²	80	67 Å²	67	49%	0.485	38%	0.381	S	S	.	.	H	α-helix	trans	-61.9	-44.6	174.7	171.8	0	0	0	0	110.7	I222 A228 G229 M232	I222-V226 HydrophobicContact CG2-CG2 4.21Å; I222-V226 WeakPolarHBondContact O-CG2 3.39Å; I222-V226 PolarHBondContact O-N 2.84Å; V226-A228 PolarHBondContact O-N 3.09Å; V226-G229 PolarHBondContact O-N 3.26Å; V226-M232 HydrophobicContact CG2-CB 4.48Å; V226-M232 HydrophobicContact CG2-CG 3.93Å
227	A	96.3	Very high	97.3	Very high	91 Å²	91	63 Å²	63	75%	0.752	36%	0.359	S	S	*	.	H	α-helix	trans	-62.9	-27	176.1	0	0	0	0	0	113.2	S223 Q224 G229	S223-A227 VanDerWaalsContact O-CB 3.29Å; S223-A227 WeakPolarHBondContact O-CB 3.11Å; S223-A227 PolarHBondContact O-N 3.42Å; Q224-A227 PolarHBondContact O-N 3.12Å; A227-G229 VanDerWaalsContact C-N 3.28Å
228	A	97.2	Very high	97.2	Very high	71 Å²	71	66.4 Å²	66.4	59%	0.587	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.1	173.5	0	0	0	0	0	113.7	Q224 Q225 V226	Q224-A228 WeakPolarHBondContact O-CB 3.47Å; Q224-A228 PolarHBondContact O-N 3.31Å; Q225-A228 CarbonylContact O-C 3.6Å; Q225-A228 WeakPolarHBondContact O-CB 3.39Å; Q225-A228 PolarHBondContact O-N 2.77Å; Q225-A228 VanDerWaalsContact O-N 3.15Å; V226-A228 PolarHBondContact O-N 3.09Å
229	G	96	Very high	97.2	Very high	68 Å²	68	67 Å²	67	70%	0.701	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	12	179.6	0	0	0	0	0	115	Q225 V226 A227	Q225-G229 PolarHBondContact O-N 2.75Å; V226-G229 PolarHBondContact O-N 3.26Å; A227-G229 VanDerWaalsContact C-N 3.28Å
230	N	96.3	Very high	97.2	Very high	81 Å²	81	66 Å²	66	43%	0.433	37%	0.37	S	S	.	.			trans	-83.2	142.1	177.7	-64.7	-35.6	0	0	0	111.3	Q225	Q225-N230 HydrophobicContact CB-CB 4.33Å; Q225-N230 WeakPolarHBondContact O-CB 3.23Å; Q225-N230 PolarHBondContact O-N 3.04Å; Q225-N230 PolarHBondContact OE1-ND2 3.35Å
231	N	94.7	Very high	97.1	Very high	107 Å²	107	62.3 Å²	62.3	57%	0.572	36%	0.356	S	S	*	.			trans	-78.3	129.7	173.3	-173.6	-6.9	0	0	0	110.1	E233	N231-E233 PolarHBondContact ND2-OE2 3.31Å; N231-E233 WeakPolarHBondContact OD1-CB 3.22Å; N231-E233 WeakPolarHBondContact OD1-CG 3.4Å; N231-E233 PolarHBondContact OD1-N 2.88Å
232	M	96.8	Very high	97.1	Very high	27 Å²	27	62.1 Å²	62.1	13%	0.133	36%	0.357	C	S	.	.			trans	-116.7	14.2	179.7	-57.4	-56.5	-60.4	0	0	113.1	I222 Q225 V226 D234 I235 F236 G237	I222-M232 HydrophobicContact CG1-CE 4.28Å; I222-M232 HydrophobicContact CG2-CB 4.39Å; I222-M232 HydrophobicContact CG2-CG 4.35Å; Q225-M232 HydrophobicContact CB-CE 4.25Å; Q225-M232 HydrophobicContact CB-CG 3.94Å; Q225-M232 HydrophobicContact CB-SD 3.39Å; Q225-M232 WeakPolarHBondContact CB-SD 3.38Å; Q225-M232 HydrophobicContact CG-CE 4.27Å; Q225-M232 HydrophobicContact CG-SD 3.89Å; V226-M232 HydrophobicContact CG2-CB 4.48Å; V226-M232 HydrophobicContact CG2-CG 3.93Å; M232-D234 PolarHBondContact O-N 3.46Å; M232-I235 HydrophobicContact CE-CD1 3.41Å; M232-I235 VanDerWaalsContact CE-CD1 3.41Å; M232-I235 HydrophobicContact CE-CG1 3.85Å; M232-I235 WeakPolarHBondContact O-CG1 3.3Å; M232-I235 PolarHBondContact O-N 3.23Å; M232-F236 PolarHBondContact O-N 3.26Å; M232-G237 PolarHBondContact O-N 3.33Å
233	E	95.5	Very high	97.1	Very high	140 Å²	140	62.1 Å²	62.1	65%	0.654	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-59.1	-34.3	178.7	-77.7	169	171.7	0	0	112.4	N231 I235 F236	N231-E233 PolarHBondContact ND2-OE2 3.31Å; N231-E233 WeakPolarHBondContact OD1-CB 3.22Å; N231-E233 WeakPolarHBondContact OD1-CG 3.4Å; N231-E233 PolarHBondContact OD1-N 2.88Å; E233-I235 PolarHBondContact O-N 2.69Å; E233-I235 VanDerWaalsContact O-N 3.09Å; E233-F236 PolarHBondContact O-N 2.81Å
234	D	95.8	Very high	97.1	Very high	80 Å²	80	61.3 Å²	61.3	43%	0.428	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-66.1	-11.7	-178	74.8	-38.2	0	0	0	114.2	F162 K165 M232	F162-D234 WeakPolarHBondContact CE1-O 3.48Å; K165-D234 WeakPolarHBondContact CD-OD2 3.35Å; K165-D234 WeakPolarHBondContact CE-OD2 3.22Å; K165-D234 IonicContact NZ-OD2 3.61Å; K165-D234 PolarHBondContact NZ-OD2 2.78Å; M232-D234 PolarHBondContact O-N 3.46Å
235	I	97.1	Very high	97	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.021	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-124.5	19.7	171.3	67.3	161.4	0	0	0	113	K165 V166 I222 M232 E233 G237 Y257	K165-I235 HydrophobicContact CB-CG2 3.65Å; K165-I235 HydrophobicContact CD-CG2 3.93Å; K165-I235 HydrophobicContact CG-CG2 4.46Å; V166-I235 HydrophobicContact CG2-CB 3.98Å; V166-I235 HydrophobicContact CG2-CD1 4.27Å; V166-I235 HydrophobicContact CG2-CG2 3.86Å; I222-I235 HydrophobicContact CD1-CD1 4.18Å; I222-I235 HydrophobicContact CG1-CD1 4.02Å; M232-I235 HydrophobicContact CE-CD1 3.41Å; M232-I235 VanDerWaalsContact CE-CD1 3.41Å; M232-I235 HydrophobicContact CE-CG1 3.85Å; M232-I235 WeakPolarHBondContact O-CG1 3.3Å; M232-I235 PolarHBondContact O-N 3.23Å; E233-I235 PolarHBondContact O-N 2.69Å; E233-I235 VanDerWaalsContact O-N 3.09Å; I235-G237 VanDerWaalsContact C-N 3.32Å; I235-G237 PolarHBondContact O-N 2.95Å; I235-Y257 VanDerWaalsContact O-CE1 3.28Å; I235-Y257 WeakPolarHBondContact O-CE1 3.38Å; I235-Y257 PolarHBondContact O-OH 3.07Å
236	F	97.8	Very high	96.9	Very high	53 Å²	53	63.2 Å²	63.2	23%	0.232	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	42	-178.3	-57.3	-69.3	0	0	0	113.9	F162 M232 E233 E238 L239 L240 I256 Y257 L261	F162-F236 AromaticContact CE1-CD2 3.96Å; F162-F236 HydrophobicContact CE1-CD2 3.96Å; F162-F236 AromaticContact CE1-CE2 3.87Å; F162-F236 HydrophobicContact CE1-CE2 3.87Å; F162-F236 HydrophobicContact CE2-CE2 4.14Å; F162-F236 AromaticContact CZ-CD2 3.91Å; F162-F236 HydrophobicContact CZ-CD2 3.91Å; F162-F236 AromaticContact CZ-CE2 3.36Å; F162-F236 HydrophobicContact CZ-CE2 3.36Å; F162-F236 HydrophobicContact CZ-CZ 4.33Å; M232-F236 PolarHBondContact O-N 3.26Å; E233-F236 PolarHBondContact O-N 2.81Å; F236-E238 PolarHBondContact O-N 2.81Å; F236-L239 HydrophobicContact CB-CB 4.29Å; F236-L239 PolarHBondContact O-N 2.82Å; F236-L240 PolarHBondContact O-N 2.79Å; F236-I256 HydrophobicContact CB-CD1 4.13Å; F236-Y257 HydrophobicContact CD2-CE1 4.49Å; F236-L261 HydrophobicContact CD1-CD2 3.88Å; F236-L261 HydrophobicContact CE1-CB 4.39Å; F236-L261 HydrophobicContact CE1-CD2 3.76Å
237	G	97.9	Very high	97	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-55.7	-46.6	-174.7	0	0	0	0	0	114.2	M232 I235 L240 L241	M232-G237 PolarHBondContact O-N 3.33Å; I235-G237 VanDerWaalsContact C-N 3.32Å; I235-G237 PolarHBondContact O-N 2.95Å; G237-L240 PolarHBondContact O-N 2.88Å; G237-L241 WeakPolarHBondContact O-CG 3.15Å; G237-L241 PolarHBondContact O-N 3.36Å
238	E	97	Very high	97.1	Very high	160 Å²	160	61.7 Å²	61.7	75%	0.748	34%	0.335	S	S	*	.	H	α-helix	trans	-63.3	-47.4	179	-175.1	177.3	-173.7	0	0	112.1	F236 L240 L241 Q242	F236-E238 PolarHBondContact O-N 2.81Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-L240 PolarHBondContact O-N 3.01Å; E238-L241 PolarHBondContact O-N 3.14Å; E238-Q242 PolarHBondContact O-N 3.41Å
239	L	97.9	Very high	97	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-45	177.2	175	60.3	0	0	0	111	F236 L241 Q242 L243 I256 L261 L281	F236-L239 HydrophobicContact CB-CB 4.29Å; F236-L239 PolarHBondContact O-N 2.82Å; L239-L241 PolarHBondContact O-N 3.04Å; L239-Q242 PolarHBondContact O-N 2.88Å; L239-L243 HydrophobicContact CD1-CD1 4.21Å; L239-L243 HydrophobicContact CD1-CD2 4.24Å; L239-L243 HydrophobicContact CD1-CG 3.93Å; L239-L243 HydrophobicContact CG-CD1 4.2Å; L239-L243 HydrophobicContact CG-CG 4.29Å; L239-L243 VanDerWaalsContact O-CG 3.31Å; L239-L243 WeakPolarHBondContact O-CG 3.25Å; L239-L243 PolarHBondContact O-N 3.02Å; L239-I256 HydrophobicContact CD2-CD1 4.23Å; L239-I256 HydrophobicContact CD2-CG2 4.34Å; L239-I256 HydrophobicContact CG-CD1 4.32Å; L239-L261 HydrophobicContact CD2-CD1 3.93Å; L239-L261 HydrophobicContact CD2-CD2 3.91Å; L239-L261 HydrophobicContact CD2-CG 4.5Å; L239-L281 HydrophobicContact CD1-CD1 3.93Å; L239-L281 HydrophobicContact CD2-CD1 4.26Å
240	L	98.4	Very high	97.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-43.9	178.7	-171.9	102	0	0	0	111.9	L215 L218 V219 I222 F236 G237 E238 Q242 L243 H244 C253 I256 Y257	L215-L240 HydrophobicContact CD1-CD1 4.21Å; L215-L240 HydrophobicContact CD1-CD2 4.34Å; L215-L240 HydrophobicContact CD1-CG 4.39Å; L218-L240 HydrophobicContact CB-CD2 4.41Å; L218-L240 HydrophobicContact CD1-CD2 4.43Å; L218-L240 HydrophobicContact CD2-CD1 3.84Å; L218-L240 HydrophobicContact CD2-CD2 3.45Å; L218-L240 VanDerWaalsContact CD2-CD2 3.45Å; L218-L240 HydrophobicContact CD2-CG 4.3Å; L218-L240 HydrophobicContact CG-CD2 3.45Å; L218-L240 VanDerWaalsContact CG-CD2 3.45Å; V219-L240 HydrophobicContact CG2-CD2 4.31Å; I222-L240 HydrophobicContact CD1-CB 4.35Å; I222-L240 HydrophobicContact CD1-CD2 3.28Å; I222-L240 HydrophobicContact CD1-CG 4.42Å; F236-L240 PolarHBondContact O-N 2.79Å; G237-L240 PolarHBondContact O-N 2.88Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-L240 PolarHBondContact O-N 3.01Å; L240-Q242 VanDerWaalsContact C-N 3.33Å; L240-Q242 PolarHBondContact O-N 3.01Å; L240-L243 PolarHBondContact O-N 3.12Å; L240-H244 WeakPolarHBondContact O-CB 3.44Å; L240-H244 PolarHBondContact O-N 2.85Å; L240-C253 HydrophobicContact CD1-CB 4.17Å; L240-C253 VanDerWaalsContact CD1-O 3.3Å; L240-C253 WeakPolarHBondContact CD1-O 3.29Å; L240-I256 HydrophobicContact CB-CD1 4.27Å; L240-I256 HydrophobicContact CD1-CD1 4.05Å; L240-Y257 HydrophobicContact CD1-CE2 4.18Å
241	L	98.2	Very high	97.2	Very high	48 Å²	48	54.5 Å²	54.5	25%	0.251	28%	0.276	S	S	.	.	H	α-helix	trans	-61.7	-42.7	176.7	-69.1	178.6	0	0	0	111.4	V219 I222 G237 E238 L239 H244 Q245	V219-L241 HydrophobicContact CB-CD2 4.32Å; V219-L241 HydrophobicContact CG1-CD2 3.81Å; V219-L241 HydrophobicContact CG2-CD2 4.34Å; I222-L241 HydrophobicContact CB-CD2 4.48Å; I222-L241 HydrophobicContact CG2-CD1 3.84Å; I222-L241 HydrophobicContact CG2-CD2 4.24Å; I222-L241 HydrophobicContact CG2-CG 3.94Å; G237-L241 WeakPolarHBondContact O-CG 3.15Å; G237-L241 PolarHBondContact O-N 3.36Å; E238-L241 PolarHBondContact O-N 3.14Å; L239-L241 PolarHBondContact O-N 3.04Å; L241-H244 PolarHBondContact O-N 3Å; L241-Q245 WeakPolarHBondContact O-CB 3.44Å; L241-Q245 PolarHBondContact O-N 3.08Å
242	Q	97.6	Very high	97.4	Very high	49 Å²	49	49.4 Å²	49.4	23%	0.229	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-48.9	176	-172.5	-168.1	-52.6	0	0	111.5	E238 L239 L240 H244 Q245 Q246	E238-Q242 PolarHBondContact O-N 3.41Å; L239-Q242 PolarHBondContact O-N 2.88Å; L240-Q242 VanDerWaalsContact C-N 3.33Å; L240-Q242 PolarHBondContact O-N 3.01Å; Q242-H244 VanDerWaalsContact C-N 3.34Å; Q242-H244 PolarHBondContact O-N 3.02Å; Q242-Q245 WeakPolarHBondContact O-CB 3.28Å; Q242-Q245 PolarHBondContact O-N 2.96Å; Q242-Q246 PolarHBondContact O-N 3.4Å; Q242-Q246 VanDerWaalsContact O-N 3.15Å
243	L	98.1	Very high	97.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-43.4	178.5	-68.8	-174.6	0	0	0	111.4	P108 L239 L240 Q245 Q246 Y247 I256 L300	P108-L243 HydrophobicContact CB-CD2 4.02Å; P108-L243 HydrophobicContact CG-CD2 3.55Å; L239-L243 HydrophobicContact CD1-CD1 4.21Å; L239-L243 HydrophobicContact CD1-CD2 4.24Å; L239-L243 HydrophobicContact CD1-CG 3.93Å; L239-L243 HydrophobicContact CG-CD1 4.2Å; L239-L243 HydrophobicContact CG-CG 4.29Å; L239-L243 VanDerWaalsContact O-CG 3.31Å; L239-L243 WeakPolarHBondContact O-CG 3.25Å; L239-L243 PolarHBondContact O-N 3.02Å; L240-L243 PolarHBondContact O-N 3.12Å; L243-Q245 VanDerWaalsContact C-N 3.34Å; L243-Q245 PolarHBondContact O-N 2.99Å; L243-Q246 PolarHBondContact O-N 3.05Å; L243-Y247 WeakPolarHBondContact O-CA 3.22Å; L243-Y247 WeakPolarHBondContact O-CB 3.4Å; L243-Y247 PolarHBondContact O-N 2.85Å; L243-I256 HydrophobicContact CD1-CG2 3.39Å; L243-L300 HydrophobicContact CD1-CD1 4.42Å; L243-L300 HydrophobicContact CD1-CD2 4.49Å; L243-L300 HydrophobicContact CD2-CD1 3.96Å; L243-L300 HydrophobicContact CD2-CD2 4.37Å
244	H	97.7	Very high	97.6	Very high	36 Å²	36	41.4 Å²	41.4	17%	0.167	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-39	177.5	176.9	78.4	0	0	0	112.4	L215 N216 V219 L240 L241 Q242 Q246 Y247 P248	L215-H244 WeakPolarHBondContact CD2-ND1 3.24Å; N216-H244 PolarHBondContact OD1-CE1 3.36Å; V219-H244 HydrophobicContact CG2-CB 3.82Å; L240-H244 WeakPolarHBondContact O-CB 3.44Å; L240-H244 PolarHBondContact O-N 2.85Å; L241-H244 PolarHBondContact O-N 3Å; Q242-H244 VanDerWaalsContact C-N 3.34Å; Q242-H244 PolarHBondContact O-N 3.02Å; H244-Q246 VanDerWaalsContact C-N 3.27Å; H244-Q246 PolarHBondContact O-N 3.02Å; H244-Y247 CarbonylContact O-C 3.58Å; H244-Y247 PolarHBondContact O-N 3.01Å; H244-P248 VanDerWaalsContact O-CA 3.26Å; H244-P248 WeakPolarHBondContact O-CA 3.47Å; H244-P248 WeakPolarHBondContact O-CD 3.07Å; H244-P248 WeakPolarHBondContact O-CG 3.48Å; H244-P248 VanDerWaalsContact O-N 3.08Å
245	Q	97.3	Very high	97.6	Very high	159 Å²	159	37.6 Å²	37.6	74%	0.743	19%	0.19	S	C	*	.	H	α-helix	trans	-60.9	-38.6	176.2	-176.2	-178.1	3.2	0	0	111.6	L241 Q242 L243	L241-Q245 WeakPolarHBondContact O-CB 3.44Å; L241-Q245 PolarHBondContact O-N 3.08Å; Q242-Q245 WeakPolarHBondContact O-CB 3.28Å; Q242-Q245 PolarHBondContact O-N 2.96Å; L243-Q245 VanDerWaalsContact C-N 3.34Å; L243-Q245 PolarHBondContact O-N 2.99Å
246	Q	96.2	Very high	97.7	Very high	60 Å²	60	37.5 Å²	37.5	28%	0.28	19%	0.19	S	C	.	.	H	α-helix	trans	-84.6	-31.6	-178.5	-68	171.1	-41.7	0	0	112.7	T107 P108 Q242 L243 H244	T107-Q246 HydrophobicContact CG2-CB 4.25Å; T107-Q246 HydrophobicContact CG2-CG 4.25Å; P108-Q246 VanDerWaalsContact CD-CD 3.48Å; Q242-Q246 PolarHBondContact O-N 3.4Å; Q242-Q246 VanDerWaalsContact O-N 3.15Å; L243-Q246 PolarHBondContact O-N 3.05Å; H244-Q246 VanDerWaalsContact C-N 3.27Å; H244-Q246 PolarHBondContact O-N 3.02Å
247	Y	97.3	Very high	97.7	Very high	43 Å²	43	35 Å²	35	17%	0.169	18%	0.179	C	C	.	.	S	Bend	trans	-134.8	70.3	-176.2	-62	-79.2	0	0	0	111.6	T107 P108 L243 H244 G249 D250 L300	T107-Y247 HydrophobicContact CG2-CE2 4.05Å; P108-Y247 HydrophobicContact CB-CE2 4.11Å; P108-Y247 PolarHBondContact O-OH 2.87Å; L243-Y247 WeakPolarHBondContact O-CA 3.22Å; L243-Y247 WeakPolarHBondContact O-CB 3.4Å; L243-Y247 PolarHBondContact O-N 2.85Å; H244-Y247 CarbonylContact O-C 3.58Å; H244-Y247 PolarHBondContact O-N 3.01Å; Y247-G249 PolarHBondContact O-N 2.91Å; Y247-D250 WeakPolarHBondContact O-CB 3.29Å; Y247-D250 PolarHBondContact O-N 2.87Å; Y247-D250 VanDerWaalsContact O-N 3.13Å; Y247-L300 HydrophobicContact CD1-CB 4.47Å; Y247-L300 HydrophobicContact CD2-CB 4.08Å; Y247-L300 HydrophobicContact CD2-CD2 3.85Å; Y247-L300 HydrophobicContact CD2-CG 4.46Å; Y247-L300 VanDerWaalsContact CE1-C 3.45Å; Y247-L300 HydrophobicContact CE1-CB 4.44Å; Y247-L300 WeakPolarHBondContact CE1-O 3.45Å; Y247-L300 HydrophobicContact CE2-CB 4.03Å; Y247-L300 HydrophobicContact CG-CB 4.3Å; Y247-L300 HydrophobicContact CG-CD2 4.06Å
248	P	97.4	Very high	97.7	Very high	96 Å²	96	35 Å²	35	62%	0.623	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	126.4	-176.6	-21.4	32	0	0	0	112	H244 D250	H244-P248 VanDerWaalsContact O-CA 3.26Å; H244-P248 WeakPolarHBondContact O-CA 3.47Å; H244-P248 WeakPolarHBondContact O-CD 3.07Å; H244-P248 WeakPolarHBondContact O-CG 3.48Å; H244-P248 VanDerWaalsContact O-N 3.08Å; P248-D250 PolarHBondContact O-N 2.85Å
249	G	96.8	Very high	97.8	Very high	21 Å²	21	27.4 Å²	27.4	22%	0.216	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	6.5	179.5	0	0	0	0	0	115.3	Y247	Y247-G249 PolarHBondContact O-N 2.91Å
250	D	98.3	Very high	97.9	Very high	25 Å²	25	26.8 Å²	26.8	13%	0.134	14%	0.14	C	C	.	.			trans	-79.7	135.7	-177.9	-167.1	-62.7	0	0	0	112.1	Y247 P248 G252 C253 G299 L300 T301	Y247-D250 WeakPolarHBondContact O-CB 3.29Å; Y247-D250 PolarHBondContact O-N 2.87Å; Y247-D250 VanDerWaalsContact O-N 3.13Å; P248-D250 PolarHBondContact O-N 2.85Å; D250-G252 PolarHBondContact O-N 2.62Å; D250-G252 PolarHBondContact OD1-N 2.87Å; D250-C253 WeakPolarHBondContact O-CB 3.32Å; D250-C253 PolarHBondContact O-N 2.82Å; D250-C253 PolarHBondContact O-SG 2.91Å; D250-G299 WeakPolarHBondContact OD1-CA 3.38Å; D250-L300 PolarHBondContact OD1-N 2.81Å; D250-L300 PolarHBondContact OD2-N 3.21Å; D250-T301 PolarHBondContact OD2-N 3.48Å; D250-T301 VanDerWaalsContact OD2-N 3.11Å
251	I	97.9	Very high	97.9	Very high	22 Å²	22	28.2 Å²	28.2	11%	0.113	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.7	179.7	-167	166.9	0	0	0	113.7	L203 M204 V211 C253 F254 A255	L203-I251 HydrophobicContact CD1-CD1 4.27Å; L203-I251 HydrophobicContact CD1-CG1 3.96Å; L203-I251 HydrophobicContact CD2-CG1 4.44Å; L203-I251 HydrophobicContact CG-CD1 4.03Å; L203-I251 HydrophobicContact CG-CG1 3.93Å; L203-I251 WeakPolarHBondContact O-CD1 3.05Å; M204-I251 HydrophobicContact CE-CD1 4.09Å; M204-I251 HydrophobicContact CE-CG2 4.27Å; M204-I251 HydrophobicContact SD-CD1 3.85Å; M204-I251 HydrophobicContact SD-CG1 4.35Å; V211-I251 HydrophobicContact CG1-CB 4.06Å; V211-I251 HydrophobicContact CG1-CG1 4.33Å; V211-I251 HydrophobicContact CG2-CD1 4.4Å; V211-I251 HydrophobicContact CG2-CG1 4.46Å; I251-C253 PolarHBondContact O-N 3.16Å; I251-C253 VanDerWaalsContact O-N 3.15Å; I251-F254 PolarHBondContact O-N 2.83Å; I251-A255 PolarHBondContact O-N 3.29Å
252	G	97.5	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-22.2	177.7	0	0	0	0	0	113.4	D250 F254 A255	D250-G252 PolarHBondContact O-N 2.62Å; D250-G252 PolarHBondContact OD1-N 2.87Å; G252-F254 VanDerWaalsContact C-N 3.26Å; G252-F254 PolarHBondContact O-N 3.34Å; G252-A255 PolarHBondContact O-N 3.25Å
253	C	98.4	Very high	97.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-34.9	172.2	-60.9	0	0	0	0	111.9	L215 L240 D250 I251 I256	L215-C253 HydrophobicContact CD1-CB 3.63Å; L215-C253 HydrophobicContact CD2-CB 3.83Å; L215-C253 HydrophobicContact CG-CB 4.41Å; L240-C253 HydrophobicContact CD1-CB 4.17Å; L240-C253 VanDerWaalsContact CD1-O 3.3Å; L240-C253 WeakPolarHBondContact CD1-O 3.29Å; D250-C253 WeakPolarHBondContact O-CB 3.32Å; D250-C253 PolarHBondContact O-N 2.82Å; D250-C253 PolarHBondContact O-SG 2.91Å; I251-C253 PolarHBondContact O-N 3.16Å; I251-C253 VanDerWaalsContact O-N 3.15Å; C253-I256 WeakPolarHBondContact O-CG1 3.4Å
254	F	98.6	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-82.8	-26.7	175.3	-76.6	-73.5	0	0	0	112.9	E168 F169 L172 L203 V211 Q214 L215 L218 I251 G252 I256 Y257	E168-F254 HydrophobicContact CB-CE1 4.18Å; E168-F254 HydrophobicContact CB-CZ 4.15Å; F169-F254 HydrophobicContact CB-CD1 3.86Å; F169-F254 HydrophobicContact CB-CE1 3.99Å; F169-F254 HydrophobicContact CD2-CB 4.28Å; F169-F254 AromaticContact CD2-CD1 3.87Å; F169-F254 HydrophobicContact CD2-CD1 3.87Å; F169-F254 HydrophobicContact CD2-CG 4.47Å; F169-F254 HydrophobicContact CG-CD1 4.3Å; L172-F254 HydrophobicContact CD1-CD1 4.17Å; L172-F254 HydrophobicContact CD1-CD2 3.49Å; L172-F254 VanDerWaalsContact CD1-CD2 3.49Å; L172-F254 HydrophobicContact CD1-CE1 4.08Å; L172-F254 HydrophobicContact CD1-CE2 3.38Å; L172-F254 HydrophobicContact CD1-CG 3.89Å; L172-F254 HydrophobicContact CD1-CZ 3.7Å; L203-F254 HydrophobicContact CD1-CB 3.87Å; L203-F254 HydrophobicContact CD1-CG 4.42Å; L203-F254 HydrophobicContact CD2-CB 3.98Å; V211-F254 HydrophobicContact CG1-CD2 4.34Å; Q214-F254 HydrophobicContact CB-CE2 4.31Å; Q214-F254 HydrophobicContact CB-CZ 4.02Å; L215-F254 HydrophobicContact CB-CE2 3.82Å; L215-F254 HydrophobicContact CB-CZ 4.35Å; L215-F254 HydrophobicContact CD1-CE2 4.14Å; L215-F254 HydrophobicContact CD1-CZ 4.42Å; L218-F254 HydrophobicContact CD2-CD1 4.41Å; L218-F254 HydrophobicContact CD2-CE1 3.67Å; L218-F254 HydrophobicContact CD2-CZ 4.14Å; I251-F254 PolarHBondContact O-N 2.83Å; G252-F254 VanDerWaalsContact C-N 3.26Å; G252-F254 PolarHBondContact O-N 3.34Å; F254-I256 PolarHBondContact O-N 3.12Å; F254-I256 VanDerWaalsContact O-N 3.15Å; F254-Y257 HydrophobicContact CD1-CD2 4.1Å; F254-Y257 AromaticContact CD1-CE2 3.99Å; F254-Y257 HydrophobicContact CD1-CE2 3.99Å; F254-Y257 WeakPolarHBondContact O-CB 3.33Å; F254-Y257 WeakPolarHBondContact O-CD2 3.12Å; F254-Y257 PolarHBondContact O-N 3.06Å
255	A	97.1	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-22.6	180	0	0	0	0	0	113	I111 I251 G252 Y257 F258 L259	I111-A255 HydrophobicContact CD1-CB 3.48Å; I111-A255 VanDerWaalsContact CD1-CB 3.48Å; I251-A255 PolarHBondContact O-N 3.29Å; G252-A255 PolarHBondContact O-N 3.25Å; A255-Y257 PolarHBondContact O-N 2.98Å; A255-Y257 VanDerWaalsContact O-N 3.13Å; A255-F258 WeakPolarHBondContact O-CB 3.43Å; A255-F258 PolarHBondContact O-N 2.81Å; A255-L259 WeakPolarHBondContact O-CG 3.48Å; A255-L259 PolarHBondContact O-N 3.49Å
256	I	97.5	Very high	98	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.2	173.8	74.8	-175.9	0	0	0	112.7	L150 R154 F236 L239 L240 L243 C253 F254 F258 L259	L150-I256 HydrophobicContact CD1-CG2 4Å; R154-I256 PolarHBondContact NH2-O 3.34Å; F236-I256 HydrophobicContact CB-CD1 4.13Å; L239-I256 HydrophobicContact CD2-CD1 4.23Å; L239-I256 HydrophobicContact CD2-CG2 4.34Å; L239-I256 HydrophobicContact CG-CD1 4.32Å; L240-I256 HydrophobicContact CB-CD1 4.27Å; L240-I256 HydrophobicContact CD1-CD1 4.05Å; L243-I256 HydrophobicContact CD1-CG2 3.39Å; C253-I256 WeakPolarHBondContact O-CG1 3.4Å; F254-I256 PolarHBondContact O-N 3.12Å; F254-I256 VanDerWaalsContact O-N 3.15Å; I256-F258 PolarHBondContact O-N 2.74Å; I256-L259 PolarHBondContact O-N 2.84Å; I256-L259 VanDerWaalsContact O-O 3.06Å
257	Y	98.7	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.3	178.8	-60.8	-51.9	0	0	0	113.5	R154 F162 V166 F169 L218 I235 F236 L240 F254 A255	R154-Y257 WeakPolarHBondContact CD-O 3.15Å; R154-Y257 PolarHBondContact NE-O 3.49Å; F162-Y257 HydrophobicContact CB-CD1 3.98Å; F162-Y257 HydrophobicContact CB-CG 4.16Å; F162-Y257 AromaticContact CD1-CD1 3.55Å; F162-Y257 HydrophobicContact CD1-CD1 3.55Å; F162-Y257 AromaticContact CD1-CE1 3.93Å; F162-Y257 HydrophobicContact CD1-CE1 3.93Å; F162-Y257 HydrophobicContact CD2-CD1 4.08Å; F162-Y257 HydrophobicContact CE1-CD1 4.12Å; F162-Y257 HydrophobicContact CE1-CE1 4.4Å; F162-Y257 AromaticContact CG-CD1 3.56Å; F162-Y257 HydrophobicContact CG-CD1 3.56Å; F162-Y257 HydrophobicContact CG-CE1 4.37Å; F162-Y257 HydrophobicContact CG-CG 4.15Å; V166-Y257 HydrophobicContact CG1-CE2 4.07Å; V166-Y257 HydrophobicContact CG2-CE1 4.25Å; F169-Y257 HydrophobicContact CB-CD2 4.14Å; F169-Y257 HydrophobicContact CB-CE2 4.42Å; F169-Y257 HydrophobicContact CD1-CD2 4.2Å; F169-Y257 HydrophobicContact CD1-CG 4.33Å; F169-Y257 HydrophobicContact CD2-CD2 4Å; F169-Y257 HydrophobicContact CE1-CG 4.47Å; F169-Y257 HydrophobicContact CE2-CD2 4.46Å; F169-Y257 AromaticContact CG-CD2 3.86Å; F169-Y257 HydrophobicContact CG-CD2 3.86Å; F169-Y257 HydrophobicContact CG-CG 4.43Å; L218-Y257 HydrophobicContact CD2-CE2 4.17Å; I235-Y257 VanDerWaalsContact O-CE1 3.28Å; I235-Y257 WeakPolarHBondContact O-CE1 3.38Å; I235-Y257 PolarHBondContact O-OH 3.07Å; F236-Y257 HydrophobicContact CD2-CE1 4.49Å; L240-Y257 HydrophobicContact CD1-CE2 4.18Å; F254-Y257 HydrophobicContact CD1-CD2 4.1Å; F254-Y257 AromaticContact CD1-CE2 3.99Å; F254-Y257 HydrophobicContact CD1-CE2 3.99Å; F254-Y257 WeakPolarHBondContact O-CB 3.33Å; F254-Y257 WeakPolarHBondContact O-CD2 3.12Å; F254-Y257 PolarHBondContact O-N 3.06Å; A255-Y257 PolarHBondContact O-N 2.98Å; A255-Y257 VanDerWaalsContact O-N 3.13Å
258	F	98.8	Very high	98.2	Very high	1 Å²	1	29 Å²	29	0%	0.004	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-28.3	172.2	-76.2	-71.7	0	0	0	113.1	F153 R154 I159 F169 I173 L196 C199 F200 L203 A255 I256	F153-F258 WeakPolarHBondContact CA-O 3.47Å; F153-F258 HydrophobicContact CD1-CB 4Å; F153-F258 HydrophobicContact CD1-CD1 4.45Å; F153-F258 HydrophobicContact CE1-CB 4.08Å; F153-F258 HydrophobicContact CE1-CD1 4.45Å; F153-F258 HydrophobicContact CE1-CG 4.48Å; R154-F258 WeakPolarHBondContact CG-O 3.48Å; R154-F258 PolarHBondContact N-O 3.25Å; I159-F258 HydrophobicContact CD1-CD1 4.02Å; I159-F258 HydrophobicContact CG2-CD1 4.04Å; I159-F258 HydrophobicContact CG2-CE1 3.91Å; F169-F258 HydrophobicContact CE2-CD2 4.02Å; F169-F258 AromaticContact CE2-CE2 3.48Å; F169-F258 HydrophobicContact CE2-CE2 3.48Å; F169-F258 VanDerWaalsContact CE2-CE2 3.48Å; F169-F258 HydrophobicContact CE2-CZ 4.05Å; F169-F258 AromaticContact CZ-CD2 3.93Å; F169-F258 HydrophobicContact CZ-CD2 3.93Å; F169-F258 HydrophobicContact CZ-CE1 4.29Å; F169-F258 AromaticContact CZ-CE2 3.47Å; F169-F258 HydrophobicContact CZ-CE2 3.47Å; F169-F258 VanDerWaalsContact CZ-CE2 3.47Å; F169-F258 AromaticContact CZ-CZ 3.66Å; F169-F258 HydrophobicContact CZ-CZ 3.66Å; I173-F258 HydrophobicContact CD1-CE2 3.84Å; I173-F258 HydrophobicContact CD1-CZ 3.59Å; I173-F258 HydrophobicContact CG1-CZ 4.41Å; L196-F258 HydrophobicContact CD1-CD1 3.82Å; L196-F258 HydrophobicContact CD1-CE1 3.93Å; C199-F258 HydrophobicContact CB-CE1 3.91Å; C199-F258 HydrophobicContact CB-CZ 3.89Å; F200-F258 HydrophobicContact CB-CZ 4.47Å; F200-F258 HydrophobicContact CD2-CB 4.39Å; F200-F258 HydrophobicContact CD2-CD1 4.48Å; F200-F258 AromaticContact CD2-CD2 3.82Å; F200-F258 HydrophobicContact CD2-CD2 3.82Å; F200-F258 HydrophobicContact CD2-CE2 4.12Å; F200-F258 AromaticContact CD2-CG 3.99Å; F200-F258 HydrophobicContact CD2-CG 3.99Å; F200-F258 HydrophobicContact CE2-CD2 4.41Å; L203-F258 HydrophobicContact CB-CE2 4.26Å; L203-F258 HydrophobicContact CD2-CD2 3.99Å; L203-F258 HydrophobicContact CD2-CE2 3.72Å; A255-F258 WeakPolarHBondContact O-CB 3.43Å; A255-F258 PolarHBondContact O-N 2.81Å; I256-F258 PolarHBondContact O-N 2.74Å
259	L	98.8	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.9	-167.1	-56.1	-176.6	0	0	0	112.7	I111 L150 G152 F153 R154 A255 I256 L261 P277	I111-L259 HydrophobicContact CG2-CD1 3.83Å; L150-L259 HydrophobicContact CB-CB 4.13Å; L150-L259 HydrophobicContact CB-CD1 4.05Å; L150-L259 HydrophobicContact CD1-CD1 4.15Å; L150-L259 HydrophobicContact CD2-CB 4.46Å; G152-L259 CarbonylContact O-C 3.5Å; G152-L259 VanDerWaalsContact O-CA 3.23Å; G152-L259 WeakPolarHBondContact O-CA 3.46Å; F153-L259 HydrophobicContact CD1-CD2 4.19Å; F153-L259 HydrophobicContact CE1-CD2 4.34Å; R154-L259 PolarHBondContact NE-O 2.85Å; R154-L259 VanDerWaalsContact NE-O 3.1Å; R154-L259 PolarHBondContact NH2-O 3.49Å; A255-L259 WeakPolarHBondContact O-CG 3.48Å; A255-L259 PolarHBondContact O-N 3.49Å; I256-L259 PolarHBondContact O-N 2.84Å; I256-L259 VanDerWaalsContact O-O 3.06Å; L259-L261 PolarHBondContact O-N 2.74Å; L259-P277 HydrophobicContact CD1-CB 4.43Å; L259-P277 HydrophobicContact CD2-CB 4.03Å; L259-P277 HydrophobicContact CD2-CG 3.51Å
260	N	98.6	Very high	98.3	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.011	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	130.6	171.9	-68.5	-65.3	0	0	0	110.3	L150 C151 G152 F153 R154 L262 S319 S321	L150-N260 CarbonylContact C-O 3.53Å; L150-N260 VanDerWaalsContact CA-O 3.22Å; L150-N260 WeakPolarHBondContact CA-O 3.05Å; C151-N260 PolarHBondContact N-O 2.97Å; C151-N260 WeakPolarHBondContact O-CB 3.41Å; C151-N260 PolarHBondContact O-ND2 3.39Å; G152-N260 PolarHBondContact O-N 3.28Å; F153-N260 PolarHBondContact O-ND2 2.83Å; R154-N260 WeakPolarHBondContact CA-OD1 3.17Å; R154-N260 VanDerWaalsContact CB-OD1 3.24Å; R154-N260 WeakPolarHBondContact CB-OD1 3.46Å; N260-L262 HydrophobicContact CB-CD2 4.31Å; N260-S319 PolarHBondContact ND2-O 2.85Å; N260-S321 PolarHBondContact OD1-N 3.01Å
261	L	98.4	Very high	98.3	Very high	29 Å²	29	23 Å²	23	15%	0.152	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.1	166.7	-179.8	66.7	0	0	0	109.2	Q148 L150 F236 L239 L259 L281	Q148-L261 HydrophobicContact CG-CD1 3.64Å; L150-L261 HydrophobicContact CD2-CB 4.25Å; L150-L261 HydrophobicContact CD2-CD1 3.87Å; F236-L261 HydrophobicContact CD1-CD2 3.88Å; F236-L261 HydrophobicContact CE1-CB 4.39Å; F236-L261 HydrophobicContact CE1-CD2 3.76Å; L239-L261 HydrophobicContact CD2-CD1 3.93Å; L239-L261 HydrophobicContact CD2-CD2 3.91Å; L239-L261 HydrophobicContact CD2-CG 4.5Å; L259-L261 PolarHBondContact O-N 2.74Å; L261-L281 HydrophobicContact CD1-CD1 3.61Å
262	L	98.4	Very high	98.3	Very high	7 Å²	7	22 Å²	22	4%	0.037	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.3	177.5	-55.5	-176	0	0	0	110.2	Q148 G149 C151 N260 L264 M270 S321 R324	Q148-L262 WeakPolarHBondContact CA-O 3.32Å; G149-L262 PolarHBondContact N-O 3.25Å; G149-L262 PolarHBondContact O-N 3.35Å; C151-L262 HydrophobicContact CB-CD1 3.86Å; N260-L262 HydrophobicContact CB-CD2 4.31Å; L262-L264 HydrophobicContact CB-CD2 4.29Å; L262-M270 HydrophobicContact CD1-CB 4.19Å; L262-M270 HydrophobicContact CD1-SD 3.91Å; L262-S321 WeakPolarHBondContact CD2-O 3.48Å; L262-R324 HydrophobicContact CD1-CB 3.8Å; L262-R324 HydrophobicContact CD2-CB 4.28Å
263	N	98.1	Very high	98.2	Very high	104 Å²	104	25.9 Å²	25.9	56%	0.556	13%	0.133	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	92.8	170.7	-63.1	-73.3	0	0	0	107.9	Q148	Q148-N263 WeakPolarHBondContact CG-OD1 3.46Å; Q148-N263 PolarHBondContact NE2-OD1 2.75Å
264	L	98.8	Very high	98.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.7	-178	-54	-178.6	0	0	0	110.2	A143 P146 F147 L262 E268 M270 L325	A143-L264 HydrophobicContact CB-CB 3.8Å; P146-L264 WeakPolarHBondContact CA-O 3.23Å; F147-L264 HydrophobicContact CB-CB 4.33Å; F147-L264 HydrophobicContact CD1-CD1 4.19Å; F147-L264 PolarHBondContact N-O 2.81Å; F147-L264 PolarHBondContact O-N 2.94Å; L262-L264 HydrophobicContact CB-CD2 4.29Å; L264-E268 WeakPolarHBondContact CA-OE2 3.41Å; L264-E268 HydrophobicContact CB-CB 4.11Å; L264-E268 HydrophobicContact CD2-CB 4.25Å; L264-M270 HydrophobicContact CD1-CB 4.45Å; L264-M270 HydrophobicContact CD1-CG 4.09Å; L264-M270 HydrophobicContact CD1-SD 4.44Å; L264-L325 HydrophobicContact CD2-CD2 3.32Å
265	K	98.6	Very high	98.1	Very high	140 Å²	140	28.5 Å²	28.5	61%	0.609	15%	0.151	S	C	*	.	P	Polyproline II helix	trans	-79	157.3	167	-62.7	172.6	-174.5	167.9	0	110	A143 G267 E268	A143-K265 WeakPolarHBondContact CB-O 3.42Å; K265-G267 PolarHBondContact O-N 3.25Å; K265-E268 HydrophobicContact CB-CG 4.2Å; K265-E268 PolarHBondContact N-OE2 2.79Å; K265-E268 VanDerWaalsContact O-CB 3.32Å; K265-E268 WeakPolarHBondContact O-CB 3.48Å; K265-E268 PolarHBondContact O-N 3.32Å
266	P	98.6	Very high	98.2	Very high	78 Å²	78	28.7 Å²	28.7	51%	0.506	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	125.9	173.7	-29.1	35.8	0	0	0	112.7	A143	A143-P266 CarbonylContact O-C 3.44Å; A143-P266 WeakPolarHBondContact O-CA 3.33Å
267	G	98	Very high	98.2	Very high	13 Å²	13	28.7 Å²	28.7	13%	0.134	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-14.2	-175.3	0	0	0	0	0	115.9	A143 K265 Y340	A143-G267 PolarHBondContact O-N 2.83Å; K265-G267 PolarHBondContact O-N 3.25Å; G267-Y340 PolarHBondContact O-OH 3.01Å
268	E	98.7	Very high	98.2	Very high	68 Å²	68	28.7 Å²	28.7	32%	0.318	15%	0.153	S	C	.	.			trans	-74.2	151.1	167.2	-66.2	178.3	161.5	0	0	109.9	A143 L264 K265	A143-E268 PolarHBondContact N-O 3.09Å; L264-E268 WeakPolarHBondContact CA-OE2 3.41Å; L264-E268 HydrophobicContact CB-CB 4.11Å; L264-E268 HydrophobicContact CD2-CB 4.25Å; K265-E268 HydrophobicContact CB-CG 4.2Å; K265-E268 PolarHBondContact N-OE2 2.79Å; K265-E268 VanDerWaalsContact O-CB 3.32Å; K265-E268 WeakPolarHBondContact O-CB 3.48Å; K265-E268 PolarHBondContact O-N 3.32Å
269	A	98.8	Very high	98.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	161.6	-173.3	0	0	0	0	0	112.1	A141 I142 F326 Y340	A141-A269 CarbonylContact O-C 3.55Å; A141-A269 WeakPolarHBondContact O-CA 3.49Å; A141-A269 WeakPolarHBondContact O-CB 3.44Å; I142-A269 HydrophobicContact CB-CB 4.38Å; I142-A269 HydrophobicContact CG1-CB 3.88Å; I142-A269 HydrophobicContact CG2-CB 4.46Å; A269-F326 HydrophobicContact CB-CB 4.17Å; A269-F326 PolarHBondContact O-N 3.02Å; A269-Y340 HydrophobicContact CB-CD1 3.68Å; A269-Y340 HydrophobicContact CB-CE1 3.59Å
270	M	98.3	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.2	165.4	62.8	180	169.6	0	0	109.5	M140 A141 F147 C151 L262 L264 L272 Y280 R324	M140-M270 WeakPolarHBondContact CA-O 3.46Å; A141-M270 HydrophobicContact CB-CE 4.04Å; A141-M270 HydrophobicContact CB-CG 4.32Å; A141-M270 PolarHBondContact N-O 2.69Å; A141-M270 PolarHBondContact O-N 3Å; F147-M270 HydrophobicContact CD1-CE 4.38Å; F147-M270 HydrophobicContact CE1-CE 3.77Å; C151-M270 HydrophobicContact CB-SD 4Å; L262-M270 HydrophobicContact CD1-CB 4.19Å; L262-M270 HydrophobicContact CD1-SD 3.91Å; L264-M270 HydrophobicContact CD1-CB 4.45Å; L264-M270 HydrophobicContact CD1-CG 4.09Å; L264-M270 HydrophobicContact CD1-SD 4.44Å; M270-L272 HydrophobicContact CG-CD2 4.45Å; M270-L272 HydrophobicContact SD-CD2 4.27Å; M270-Y280 HydrophobicContact CE-CD1 3.6Å; M270-Y280 HydrophobicContact CE-CE1 3.32Å; M270-R324 WeakPolarHBondContact CB-O 3.27Å
271	F	98.3	Very high	98.2	Very high	16 Å²	16	28.8 Å²	28.8	7%	0.07	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.5	172.6	178.2	-120.9	0	0	0	109.3	P138 E139 M140 E273 F326 P342 P343 V344 F347	P138-F271 HydrophobicContact CB-CE2 3.81Å; P138-F271 HydrophobicContact CB-CZ 3.78Å; E139-F271 WeakPolarHBondContact O-CD2 3.47Å; M140-F271 HydrophobicContact CB-CD2 4.28Å; F271-E273 HydrophobicContact CD1-CG 3.58Å; F271-E273 HydrophobicContact CE1-CB 4.29Å; F271-E273 HydrophobicContact CE1-CG 3.49Å; F271-E273 VanDerWaalsContact CE1-CG 3.49Å; F271-F326 HydrophobicContact CB-CB 4.41Å; F271-F326 HydrophobicContact CB-CD2 3.71Å; F271-F326 HydrophobicContact CB-CE2 4.43Å; F271-F326 HydrophobicContact CB-CG 4.32Å; F271-P342 HydrophobicContact CD1-CB 4.23Å; F271-P342 HydrophobicContact CD2-CB 3.45Å; F271-P342 VanDerWaalsContact CD2-CB 3.45Å; F271-P342 HydrophobicContact CD2-CG 4.17Å; F271-P342 HydrophobicContact CE1-CB 4.24Å; F271-P342 HydrophobicContact CE2-CB 3.5Å; F271-P342 VanDerWaalsContact CE2-CB 3.5Å; F271-P342 HydrophobicContact CE2-CG 4.1Å; F271-P342 HydrophobicContact CG-CB 3.86Å; F271-P342 HydrophobicContact CZ-CB 3.91Å; F271-P343 HydrophobicContact CE1-CG 4.12Å; F271-V344 HydrophobicContact CE2-CG2 4.37Å; F271-V344 HydrophobicContact CZ-CG1 3.8Å; F271-V344 HydrophobicContact CZ-CG2 4.34Å; F271-F347 HydrophobicContact CE2-CZ 4.38Å
272	L	97.6	Very high	98.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	92.3	-177.9	-55.2	173.7	0	0	0	107.8	E139 C151 M270 H278 Y280	E139-L272 HydrophobicContact CB-CB 4.09Å; E139-L272 HydrophobicContact CB-CD1 3.8Å; E139-L272 HydrophobicContact CB-CG 4.4Å; E139-L272 PolarHBondContact N-O 3.46Å; E139-L272 WeakPolarHBondContact O-CB 3.35Å; E139-L272 PolarHBondContact O-N 3.28Å; E139-L272 WeakPolarHBondContact OE2-CD1 3.49Å; C151-L272 HydrophobicContact CB-CD2 4.43Å; M270-L272 HydrophobicContact CG-CD2 4.45Å; M270-L272 HydrophobicContact SD-CD2 4.27Å; L272-H278 VanDerWaalsContact CD1-CD2 3.46Å; L272-H278 WeakPolarHBondContact CD1-CD2 3.49Å; L272-H278 HydrophobicContact CD2-CB 3.57Å; L272-Y280 HydrophobicContact CD1-CE1 3.74Å; L272-Y280 WeakPolarHBondContact CD1-OH 3.15Å
273	E	96.1	Very high	98.2	Very high	81 Å²	81	31.4 Å²	31.4	38%	0.379	16%	0.164	S	C	.	.			trans	-65	157	177.1	-63.7	163.4	-132.2	0	0	111	F271 V276 R324	F271-E273 HydrophobicContact CD1-CG 3.58Å; F271-E273 HydrophobicContact CE1-CB 4.29Å; F271-E273 HydrophobicContact CE1-CG 3.49Å; F271-E273 VanDerWaalsContact CE1-CG 3.49Å; E273-V276 HydrophobicContact CB-CB 4.37Å; E273-V276 HydrophobicContact CB-CG2 3.79Å; E273-V276 PolarHBondContact O-N 3.25Å; E273-R324 IonicContact OE1-NH1 2.68Å; E273-R324 PolarHBondContact OE1-NH1 3.23Å
274	A	96.6	Very high	98.3	Very high	30 Å²	30	26.5 Å²	26.5	25%	0.248	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	145.6	166.8	0	0	0	0	0	110.3	H114 N116 V276	H114-A274 CarbonylContact O-C 3.43Å; H114-A274 WeakPolarHBondContact O-CA 3.2Å; N116-A274 HydrophobicContact CB-CB 3.89Å; A274-V276 PolarHBondContact O-N 3.24Å; A274-V276 VanDerWaalsContact O-N 3.14Å
275	N	98.1	Very high	98.3	Very high	25 Å²	25	26.4 Å²	26.4	13%	0.134	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	14.7	177.1	-57.9	-16	0	0	0	114.9	H114 N116 M313 L314 S315	H114-N275 PolarHBondContact O-N 2.9Å; H114-N275 PolarHBondContact O-OD1 3.49Å; N116-N275 PolarHBondContact N-OD1 2.74Å; N275-M313 WeakPolarHBondContact CB-O 3.26Å; N275-M313 PolarHBondContact ND2-O 2.93Å; N275-M313 WeakPolarHBondContact OD1-CE 3.3Å; N275-L314 VanDerWaalsContact O-CA 3.29Å; N275-L314 WeakPolarHBondContact O-CA 3.44Å; N275-L314 WeakPolarHBondContact O-CD2 3.36Å; N275-S315 PolarHBondContact O-N 2.64Å
276	V	98.2	Very high	98.3	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.03	11%	0.109	C	C	.	.			trans	-105.1	122.8	174.9	177.1	0	0	0	0	109.9	G152 E273 A274 H278	G152-V276 VanDerWaalsContact CA-CG1 3.5Å; E273-V276 HydrophobicContact CB-CB 4.37Å; E273-V276 HydrophobicContact CB-CG2 3.79Å; E273-V276 PolarHBondContact O-N 3.25Å; A274-V276 PolarHBondContact O-N 3.24Å; A274-V276 VanDerWaalsContact O-N 3.14Å; V276-H278 PolarHBondContact O-ND1 3.42Å
277	P	98.6	Very high	98.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	9%	0.086	C	C	.	.			trans	-74.5	136	-179.6	30.7	-32.2	0	0	0	111.2	Q112 G152 F153 L259 L314	Q112-P277 CarbonylContact O-C 3.58Å; Q112-P277 VanDerWaalsContact O-CA 3.29Å; Q112-P277 WeakPolarHBondContact O-CA 3.49Å; G152-P277 PolarHBondContact N-O 2.89Å; F153-P277 HydrophobicContact CD2-CG 4.19Å; F153-P277 HydrophobicContact CE2-CG 3.76Å; F153-P277 HydrophobicContact CZ-CG 3.95Å; L259-P277 HydrophobicContact CD1-CB 4.43Å; L259-P277 HydrophobicContact CD2-CB 4.03Å; L259-P277 HydrophobicContact CD2-CG 3.51Å; P277-L314 HydrophobicContact CB-CD1 4.36Å; P277-L314 HydrophobicContact CB-CD2 4.26Å; P277-L314 HydrophobicContact CG-CD1 4.24Å; P277-L314 HydrophobicContact CG-CD2 4.38Å
278	H	98.8	Very high	98.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	165.2	-176.9	60.6	-88.7	0	0	0	112	I111 Q112 H114 E139 L150 L272 V276	I111-H278 CarbonylContact C-O 3.57Å; I111-H278 WeakPolarHBondContact CA-O 3.49Å; Q112-H278 WeakPolarHBondContact CG-NE2 3.28Å; Q112-H278 PolarHBondContact N-O 3.15Å; Q112-H278 PolarHBondContact NE2-NE2 3.39Å; Q112-H278 PolarHBondContact O-N 3.23Å; Q112-H278 PolarHBondContact O-ND1 3.07Å; H114-H278 AromaticContact CD2-CE1 3.46Å; H114-H278 PolarHBondContact CD2-CE1 3.42Å; H114-H278 VanDerWaalsContact CD2-CE1 3.46Å; H114-H278 AromaticContact CD2-NE2 3.92Å; H114-H278 AromaticContact NE2-CE1 3.35Å; H114-H278 PolarHBondContact NE2-CE1 2.93Å; H114-H278 VanDerWaalsContact NE2-CE1 3.35Å; H114-H278 AromaticContact NE2-NE2 3.36Å; H114-H278 PolarHBondContact NE2-NE2 2.86Å; E139-H278 IonicContact OE2-NE2 2.85Å; E139-H278 PolarHBondContact OE2-NE2 2.93Å; L150-H278 CarbonylContact O-C 3.51Å; L150-H278 WeakPolarHBondContact O-CA 3.39Å; L150-H278 WeakPolarHBondContact O-CB 3.27Å; L272-H278 VanDerWaalsContact CD1-CD2 3.46Å; L272-H278 WeakPolarHBondContact CD1-CD2 3.49Å; L272-H278 HydrophobicContact CD2-CB 3.57Å; V276-H278 PolarHBondContact O-ND1 3.42Å
279	A	98.6	Very high	98.3	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.008	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	146.1	173	0	0	0	0	0	110.6	I111 G149 L150 L281	I111-A279 HydrophobicContact CB-CB 4.42Å; I111-A279 HydrophobicContact CG1-CB 3.92Å; G149-A279 CarbonylContact C-O 3.38Å; G149-A279 WeakPolarHBondContact CA-O 3.41Å; L150-A279 HydrophobicContact CB-CB 4.27Å; L150-A279 HydrophobicContact CD1-CB 4.22Å; L150-A279 HydrophobicContact CG-CB 4.47Å; L150-A279 PolarHBondContact N-O 2.8Å; L150-A279 PolarHBondContact O-N 3.45Å; A279-L281 HydrophobicContact CB-CD2 4.25Å
280	Y	98.7	Very high	98.3	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.012	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.2	168.9	-58.4	-17.2	0	0	0	109.5	L103 P108 L109 A141 F147 M270 L272 E287	L103-Y280 HydrophobicContact CD2-CD2 3.61Å; L103-Y280 HydrophobicContact CD2-CE2 3.59Å; P108-Y280 CarbonylContact C-O 3.58Å; P108-Y280 VanDerWaalsContact CA-O 3.31Å; P108-Y280 WeakPolarHBondContact CA-O 3.22Å; L109-Y280 HydrophobicContact CD2-CD2 4.31Å; L109-Y280 PolarHBondContact N-O 2.87Å; A141-Y280 HydrophobicContact CB-CE1 4.29Å; F147-Y280 AromaticContact CE1-CD1 3.89Å; F147-Y280 HydrophobicContact CE1-CD1 3.89Å; F147-Y280 HydrophobicContact CE1-CE1 4.43Å; F147-Y280 HydrophobicContact CE1-CG 4.03Å; F147-Y280 AromaticContact CZ-CD1 3.9Å; F147-Y280 HydrophobicContact CZ-CD1 3.9Å; F147-Y280 AromaticContact CZ-CD2 3.87Å; F147-Y280 HydrophobicContact CZ-CD2 3.87Å; F147-Y280 HydrophobicContact CZ-CE2 4.45Å; F147-Y280 AromaticContact CZ-CG 3.55Å; F147-Y280 HydrophobicContact CZ-CG 3.55Å; M270-Y280 HydrophobicContact CE-CD1 3.6Å; M270-Y280 HydrophobicContact CE-CE1 3.32Å; L272-Y280 HydrophobicContact CD1-CE1 3.74Å; L272-Y280 WeakPolarHBondContact CD1-OH 3.15Å; Y280-E287 WeakPolarHBondContact CE2-OE1 3.27Å; Y280-E287 PolarHBondContact OH-OE1 3.41Å
281	L	98.6	Very high	98.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-47.7	-173	-57.4	-173.2	0	0	0	111.9	P108 Q148 L150 L239 L261 A279	P108-L281 HydrophobicContact CB-CD2 3.74Å; P108-L281 HydrophobicContact CG-CB 4.5Å; P108-L281 HydrophobicContact CG-CD2 4.16Å; Q148-L281 HydrophobicContact CB-CB 4.26Å; Q148-L281 HydrophobicContact CG-CB 4.16Å; Q148-L281 HydrophobicContact CG-CD1 4.04Å; Q148-L281 WeakPolarHBondContact O-CA 3.36Å; Q148-L281 WeakPolarHBondContact O-CB 3.4Å; Q148-L281 PolarHBondContact O-N 2.9Å; L150-L281 HydrophobicContact CD1-CD2 4.26Å; L150-L281 HydrophobicContact CD2-CD1 4.09Å; L150-L281 HydrophobicContact CG-CD1 3.97Å; L150-L281 HydrophobicContact CG-CD2 4.22Å; L150-L281 HydrophobicContact CG-CG 4.29Å; L239-L281 HydrophobicContact CD1-CD1 3.93Å; L239-L281 HydrophobicContact CD2-CD1 4.26Å; L261-L281 HydrophobicContact CD1-CD1 3.61Å; A279-L281 HydrophobicContact CB-CD2 4.25Å
282	K	98.6	Very high	98.1	Very high	87 Å²	87	13.6 Å²	13.6	38%	0.378	7%	0.074	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	146.1	-176.3	-168.1	164.6	-174.5	159.5	0	112.6	E106 F147 Q148	E106-K282 IonicContact OE1-NZ 3.89Å; E106-K282 PolarHBondContact OE1-NZ 2.94Å; F147-K282 CarbonylContact C-O 3.59Å; F147-K282 WeakPolarHBondContact CA-O 3.34Å; Q148-K282 PolarHBondContact N-O 3.19Å; Q148-K282 PolarHBondContact O-N 2.8Å
283	G	98.7	Very high	98	Very high	4 Å²	4	16.2 Å²	16.2	4%	0.041	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.9	179.7	173	0	0	0	0	0	113.3	V105	V105-G283 WeakPolarHBondContact CB-O 3.41Å; V105-G283 PolarHBondContact N-O 2.97Å; V105-G283 PolarHBondContact O-N 3.23Å
284	D	98.9	Very high	98	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.011	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.7	177.6	-51.1	-42.4	0	0	0	110.2	K22 E28 R31 L103 S104 L144 T145	K22-D284 VanDerWaalsContact CE-OD1 3.25Å; K22-D284 WeakPolarHBondContact CE-OD1 3.35Å; K22-D284 IonicContact NZ-OD1 3.02Å; K22-D284 PolarHBondContact NZ-OD1 3.26Å; K22-D284 IonicContact NZ-OD2 2.74Å; K22-D284 PolarHBondContact NZ-OD2 3.15Å; E28-D284 HydrophobicContact CB-CB 3.87Å; E28-D284 HydrophobicContact CG-CB 4.4Å; R31-D284 IonicContact NH2-OD2 3.01Å; L103-D284 VanDerWaalsContact O-CA 3.28Å; L103-D284 WeakPolarHBondContact O-CA 3.37Å; S104-D284 VanDerWaalsContact CA-OD1 3.23Å; S104-D284 WeakPolarHBondContact CA-OD1 3.08Å; S104-D284 VanDerWaalsContact CB-OD1 3.29Å; S104-D284 WeakPolarHBondContact CB-OD1 3.41Å; S104-D284 PolarHBondContact OG-OD1 3.31Å; L144-D284 HydrophobicContact CB-CB 4.22Å; L144-D284 WeakPolarHBondContact CB-O 3.23Å; L144-D284 PolarHBondContact N-O 3.44Å; T145-D284 HydrophobicContact CG2-CB 4Å; T145-D284 WeakPolarHBondContact CG2-OD2 3.38Å; T145-D284 PolarHBondContact N-O 2.85Å; T145-D284 PolarHBondContact OG1-N 2.9Å
285	C	98.9	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157	177.4	69.6	0	0	0	0	112	V102 L103 I142 F147	V102-C285 CarbonylContact C-O 3.57Å; V102-C285 WeakPolarHBondContact CA-O 3.49Å; L103-C285 PolarHBondContact N-O 2.99Å; L103-C285 PolarHBondContact O-N 3.07Å; I142-C285 CarbonylContact O-C 3.57Å; I142-C285 VanDerWaalsContact O-CA 3.25Å; I142-C285 WeakPolarHBondContact O-CA 3.47Å; I142-C285 VanDerWaalsContact O-CB 3.26Å; I142-C285 WeakPolarHBondContact O-CB 3.45Å; F147-C285 HydrophobicContact CD2-CB 3.77Å; F147-C285 HydrophobicContact CE2-CB 3.73Å; F147-C285 VanDerWaalsContact CE2-SG 3.52Å; F147-C285 HydrophobicContact CG-CB 4.27Å; F147-C285 HydrophobicContact CZ-CB 4.17Å
286	V	98.8	Very high	98.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.6	157.8	168.6	0	0	0	0	107.4	F100 K101 V102 A141 I142 L144 I349 F419	F100-V286 HydrophobicContact CD2-CG1 4.19Å; F100-V286 HydrophobicContact CE2-CG1 3.13Å; F100-V286 HydrophobicContact CZ-CG1 3.5Å; K101-V286 WeakPolarHBondContact O-CA 3.08Å; V102-V286 HydrophobicContact CG2-CG2 4.33Å; A141-V286 CarbonylContact C-O 3.59Å; A141-V286 WeakPolarHBondContact CA-O 3.48Å; I142-V286 HydrophobicContact CB-CB 4.48Å; I142-V286 PolarHBondContact N-O 3.07Å; I142-V286 PolarHBondContact O-N 3.12Å; L144-V286 HydrophobicContact CD1-CG2 4.01Å; L144-V286 HydrophobicContact CD2-CG2 3.84Å; L144-V286 HydrophobicContact CG-CG2 4Å; V286-I349 HydrophobicContact CG1-CD1 4.35Å; V286-F419 HydrophobicContact CB-CD1 4.44Å; V286-F419 HydrophobicContact CG1-CD1 4.22Å; V286-F419 HydrophobicContact CG1-CG 4.41Å; V286-F419 HydrophobicContact CG2-CD1 4.23Å; V286-F419 HydrophobicContact CG2-CD2 3.93Å; V286-F419 HydrophobicContact CG2-CE1 4.34Å; V286-F419 HydrophobicContact CG2-CE2 4.06Å; V286-F419 HydrophobicContact CG2-CG 4Å; V286-F419 HydrophobicContact CG2-CZ 4.26Å
287	E	98.8	Very high	98.1	Very high	5 Å²	5	12.5 Å²	12.5	2%	0.023	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.7	174.3	-177.5	-169.6	-96.4	0	0	110.1	F100 K101 L103 M140 Y280	F100-E287 VanDerWaalsContact CD2-O 3.28Å; F100-E287 WeakPolarHBondContact CD2-O 3.2Å; K101-E287 HydrophobicContact CB-CB 4.34Å; K101-E287 VanDerWaalsContact CD-OE2 3.3Å; K101-E287 WeakPolarHBondContact CD-OE2 3.16Å; K101-E287 WeakPolarHBondContact CE-OE2 3.23Å; K101-E287 PolarHBondContact N-O 3.41Å; K101-E287 IonicContact NZ-OE2 2.63Å; K101-E287 PolarHBondContact NZ-OE2 3.37Å; K101-E287 PolarHBondContact O-N 2.86Å; L103-E287 HydrophobicContact CD1-CB 3.52Å; L103-E287 HydrophobicContact CD1-CG 4.33Å; M140-E287 CarbonylContact O-C 3.53Å; M140-E287 VanDerWaalsContact O-CA 3.22Å; M140-E287 WeakPolarHBondContact O-CA 3.19Å; Y280-E287 WeakPolarHBondContact CE2-OE1 3.27Å; Y280-E287 PolarHBondContact OH-OE1 3.41Å
288	C	98.8	Very high	98.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.5	162.4	-159.4	0	0	0	0	109.2	F100 E139 M140 F347 I349	F100-C288 HydrophobicContact CD2-CB 4.1Å; E139-C288 CarbonylContact C-O 3.48Å; E139-C288 WeakPolarHBondContact CA-O 3.49Å; M140-C288 PolarHBondContact N-O 2.54Å; M140-C288 PolarHBondContact O-N 2.77Å; C288-F347 HydrophobicContact CB-CD2 3.72Å; C288-F347 HydrophobicContact CB-CE2 3.95Å; C288-F347 HydrophobicContact CB-CG 4.14Å; C288-F347 VanDerWaalsContact O-CZ 3.27Å; C288-F347 WeakPolarHBondContact O-CZ 3.21Å; C288-I349 HydrophobicContact CB-CD1 3.41Å; C288-I349 VanDerWaalsContact CB-CD1 3.41Å; C288-I349 HydrophobicContact CB-CG1 3.73Å
289	M	98.5	Very high	98	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.7	-177.7	55.4	172.5	-86.9	0	0	111	F98 L99 K101 K137 P138 E139 S292	F98-M289 CarbonylContact C-O 3.48Å; F98-M289 WeakPolarHBondContact CA-O 3.24Å; F98-M289 WeakPolarHBondContact CB-O 3.43Å; L99-M289 HydrophobicContact CB-CG 4.07Å; L99-M289 HydrophobicContact CD2-SD 4.43Å; L99-M289 PolarHBondContact N-O 3.44Å; L99-M289 PolarHBondContact O-N 3.01Å; L99-M289 VanDerWaalsContact O-N 3.12Å; K101-M289 VanDerWaalsContact CE-SD 3.59Å; K101-M289 PolarHBondContact NZ-SD 2.83Å; K137-M289 HydrophobicContact CD-CE 3.96Å; K137-M289 HydrophobicContact CG-CE 3.94Å; P138-M289 VanDerWaalsContact O-CA 3.25Å; P138-M289 WeakPolarHBondContact O-CA 3.28Å; E139-M289 HydrophobicContact CB-CB 4.11Å; E139-M289 HydrophobicContact CG-CB 3.72Å; M289-S292 WeakPolarHBondContact CE-O 3.38Å
290	A	97.9	Very high	98	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	153.7	165	0	0	0	0	0	110.8	P138 S292 D346	P138-A290 HydrophobicContact CG-CB 3.85Å; P138-A290 PolarHBondContact O-N 2.81Å; P138-A290 VanDerWaalsContact O-N 3.07Å; A290-S292 PolarHBondContact O-N 3.29Å; A290-D346 HydrophobicContact CB-CB 3.97Å; A290-D346 VanDerWaalsContact CB-OD1 3.24Å; A290-D346 WeakPolarHBondContact CB-OD1 3.23Å
291	C	95.8	Very high	97.9	Very high	38 Å²	38	13.1 Å²	13.1	26%	0.257	7%	0.067	S	C	.	.	S	Bend	trans	-70.9	92.3	177.5	-69.1	0	0	0	0	111.7	P97 F98 N135	P97-C291 PolarHBondContact O-N 2.99Å; F98-C291 VanDerWaalsContact C-SG 3.53Å; N135-C291 PolarHBondContact ND2-O 2.78Å
292	S	96.5	Very high	97.6	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	11%	0.106	C	C	.	.			trans	-156.9	150.4	173.9	-178.8	0	0	0	0	112	D133 N135 H136 K137 M289 A290 N294	D133-S292 WeakPolarHBondContact OD1-CB 3.36Å; D133-S292 PolarHBondContact OD1-OG 3.35Å; D133-S292 PolarHBondContact OD2-OG 3.46Å; N135-S292 PolarHBondContact O-OG 2.83Å; H136-S292 WeakPolarHBondContact O-CB 3.44Å; K137-S292 VanDerWaalsContact CD-O 3.23Å; K137-S292 WeakPolarHBondContact CD-O 3.16Å; K137-S292 WeakPolarHBondContact CE-O 3.28Å; K137-S292 PolarHBondContact NZ-O 3.5Å; M289-S292 WeakPolarHBondContact CE-O 3.38Å; A290-S292 PolarHBondContact O-N 3.29Å; S292-N294 WeakPolarHBondContact OG-CB 3.19Å; S292-N294 PolarHBondContact OG-N 2.81Å; S292-N294 VanDerWaalsContact OG-N 3.14Å
293	D	95.4	Very high	97.4	Very high	55 Å²	55	21.2 Å²	21.2	29%	0.294	12%	0.116	S	C	.	.			trans	-109.2	6.1	172.5	-85.5	-26.3	0	0	0	112.6	H56 P132 D133 T295	H56-D293 IonicContact CE1-OD2 2.85Å; H56-D293 IonicContact NE2-OD1 3.16Å; H56-D293 IonicContact NE2-OD2 2.87Å; P132-D293 HydrophobicContact CG-CB 3.55Å; D133-D293 PolarHBondContact OD2-N 3.33Å; D293-T295 PolarHBondContact O-N 2.79Å; D293-T295 PolarHBondContact O-OG1 2.86Å
294	N	97.2	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.			trans	-64.9	124.6	178.1	-74.9	-30.9	0	0	0	112.2	H114 P115 Y131 P132 D133 N135 S292	H114-N294 PolarHBondContact ND1-O 2.96Å; P115-N294 HydrophobicContact CG-CB 4Å; Y131-N294 VanDerWaalsContact C-OD1 3.31Å; Y131-N294 WeakPolarHBondContact CA-OD1 3.25Å; Y131-N294 WeakPolarHBondContact CB-OD1 3.49Å; P132-N294 WeakPolarHBondContact CD-OD1 3.36Å; D133-N294 PolarHBondContact O-ND2 3.29Å; D133-N294 PolarHBondContact O-OD1 2.86Å; D133-N294 PolarHBondContact OD1-ND2 2.95Å; N135-N294 PolarHBondContact O-ND2 2.96Å; S292-N294 WeakPolarHBondContact OG-CB 3.19Å; S292-N294 PolarHBondContact OG-N 2.81Å; S292-N294 VanDerWaalsContact OG-N 3.14Å
295	T	97.4	Very high	97.1	Very high	16 Å²	16	27.9 Å²	27.9	10%	0.098	15%	0.145	C	C	.	.			trans	-149.8	117	-178.1	-56.4	0	0	0	0	110.7	Q112 D293 R297	Q112-T295 HydrophobicContact CB-CG2 3.64Å; Q112-T295 HydrophobicContact CG-CG2 4.26Å; D293-T295 PolarHBondContact O-N 2.79Å; D293-T295 PolarHBondContact O-OG1 2.86Å; T295-R297 HydrophobicContact CG2-CG 3.98Å
296	V	98.3	Very high	97	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.6	171	-176.3	0	0	0	0	108.2	Q112 A113 Y131 D306 T309 L310 M313	Q112-V296 CarbonylContact C-O 3.57Å; Q112-V296 WeakPolarHBondContact CA-O 3.45Å; A113-V296 PolarHBondContact N-O 2.93Å; A113-V296 PolarHBondContact O-N 2.81Å; Y131-V296 HydrophobicContact CE1-CG2 3.65Å; V296-D306 HydrophobicContact CG1-CB 4.48Å; V296-T309 HydrophobicContact CG2-CG2 4.17Å; V296-L310 HydrophobicContact CG1-CB 3.64Å; V296-L310 HydrophobicContact CG1-CD1 3.92Å; V296-L310 HydrophobicContact CG1-CG 4.38Å; V296-M313 HydrophobicContact CB-SD 3.72Å; V296-M313 HydrophobicContact CG1-SD 3.91Å; V296-M313 HydrophobicContact CG2-CE 4.23Å; V296-M313 HydrophobicContact CG2-SD 3.54Å; V296-M313 VanDerWaalsContact CG2-SD 3.54Å
297	R	98.4	Very high	97	Very high	46 Å²	46	30.8 Å²	30.8	17%	0.174	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	153.1	-173.9	-61.3	-177.4	-173.9	78.2	12.2	111.7	I111 T295 T301 I305	I111-R297 CarbonylContact O-C 3.44Å; I111-R297 WeakPolarHBondContact O-CA 3.39Å; T295-R297 HydrophobicContact CG2-CG 3.98Å; R297-T301 HydrophobicContact CB-CG2 4.07Å; R297-I305 HydrophobicContact CB-CG1 4.23Å; R297-I305 VanDerWaalsContact O-CG2 3.29Å; R297-I305 WeakPolarHBondContact O-CG2 3.27Å
298	A	97.8	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	-0.2	-178.5	0	0	0	0	0	113.9	I111 F200 M204 L310	I111-A298 HydrophobicContact CB-CB 4.09Å; I111-A298 HydrophobicContact CG2-CB 3.82Å; I111-A298 PolarHBondContact O-N 3.27Å; F200-A298 HydrophobicContact CZ-CB 4.41Å; M204-A298 HydrophobicContact CE-CB 4.36Å; M204-A298 VanDerWaalsContact CE-O 3.32Å; M204-A298 WeakPolarHBondContact CE-O 3.42Å; A298-L310 HydrophobicContact CB-CD1 4.01Å; A298-L310 HydrophobicContact CB-CD2 3.46Å; A298-L310 VanDerWaalsContact CB-CD2 3.46Å; A298-L310 HydrophobicContact CB-CG 4.38Å
299	G	97.8	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.9	-174.2	179.9	0	0	0	0	0	112.4	S110 I111 D250 T301	S110-G299 WeakPolarHBondContact CA-O 3.33Å; I111-G299 PolarHBondContact N-O 3.47Å; D250-G299 WeakPolarHBondContact OD1-CA 3.38Å; G299-T301 PolarHBondContact O-N 3.35Å
300	L	97.8	Very high	96.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	51.9	44.7	-172.8	-51.4	-176.8	0	0	0	111	P108 S110 I111 L243 Y247 D250	P108-L300 HydrophobicContact CB-CD1 4.1Å; S110-L300 WeakPolarHBondContact CA-O 3.38Å; I111-L300 HydrophobicContact CD1-CD1 4.11Å; I111-L300 HydrophobicContact CD1-CG 4.09Å; I111-L300 HydrophobicContact CG1-CD1 3.83Å; I111-L300 HydrophobicContact CG1-CG 3.96Å; L243-L300 HydrophobicContact CD1-CD1 4.42Å; L243-L300 HydrophobicContact CD1-CD2 4.49Å; L243-L300 HydrophobicContact CD2-CD1 3.96Å; L243-L300 HydrophobicContact CD2-CD2 4.37Å; Y247-L300 HydrophobicContact CD1-CB 4.47Å; Y247-L300 HydrophobicContact CD2-CB 4.08Å; Y247-L300 HydrophobicContact CD2-CD2 3.85Å; Y247-L300 HydrophobicContact CD2-CG 4.46Å; Y247-L300 VanDerWaalsContact CE1-C 3.45Å; Y247-L300 HydrophobicContact CE1-CB 4.44Å; Y247-L300 WeakPolarHBondContact CE1-O 3.45Å; Y247-L300 HydrophobicContact CE2-CB 4.03Å; Y247-L300 HydrophobicContact CG-CB 4.3Å; Y247-L300 HydrophobicContact CG-CD2 4.06Å; D250-L300 PolarHBondContact OD1-N 2.81Å; D250-L300 PolarHBondContact OD2-N 3.21Å
301	T	96.3	Very high	96.9	Very high	16 Å²	16	36.2 Å²	36.2	10%	0.098	20%	0.197	C	C	.	.			trans	-158.7	140.1	-172.2	-161.6	0	0	0	0	113.2	D250 R297 G299 K303 I305	D250-T301 PolarHBondContact OD2-N 3.48Å; D250-T301 VanDerWaalsContact OD2-N 3.11Å; R297-T301 HydrophobicContact CB-CG2 4.07Å; G299-T301 PolarHBondContact O-N 3.35Å; T301-K303 VanDerWaalsContact C-N 3.26Å; T301-K303 WeakPolarHBondContact OG1-CB 3.26Å; T301-K303 PolarHBondContact OG1-N 2.57Å; T301-I305 HydrophobicContact CG2-CD1 4.04Å; T301-I305 HydrophobicContact CG2-CG1 3.98Å
302	P	93.2	Very high	97	Very high	127 Å²	127	41.8 Å²	41.8	83%	0.825	22%	0.219	S	C	*	.	S	Bend	trans	-82	-6.5	166.9	34.7	-35.7	0	0	0	112.7
303	K	94.4	Very high	97.1	Very high	131 Å²	131	42.4 Å²	42.4	57%	0.57	22%	0.222	S	C	*	.	S	Bend	trans	-79.6	171.5	-174.5	-63.9	-178.6	178.9	177.4	0	111.8	T301	T301-K303 VanDerWaalsContact C-N 3.26Å; T301-K303 WeakPolarHBondContact OG1-CB 3.26Å; T301-K303 PolarHBondContact OG1-N 2.57Å
304	F	93.5	Very high	97.2	Very high	100 Å²	100	40.1 Å²	40.1	44%	0.439	21%	0.21	S	C	.	.			trans	-55.8	137.6	174.6	175.9	-112.4	0	0	0	112.2	H130 D306	H130-F304 HydrophobicContact CB-CE1 4.45Å; H130-F304 AromaticContact CD2-CE1 3.78Å; H130-F304 AromaticContact CG-CD1 3.95Å; H130-F304 AromaticContact CG-CE1 3.89Å; H130-F304 AromaticContact ND1-CD1 3.83Å; F304-D306 HydrophobicContact CE1-CB 3.65Å; F304-D306 HydrophobicContact CZ-CB 3.89Å
305	I	96.9	Very high	97.2	Very high	45 Å²	45	42.5 Å²	42.5	23%	0.231	23%	0.227	C	C	.	.			trans	-123.9	113	178	-62.8	179.4	0	0	0	106.8	M204 R297 T301 V307	M204-I305 HydrophobicContact CE-CG2 4.19Å; R297-I305 HydrophobicContact CB-CG1 4.23Å; R297-I305 VanDerWaalsContact O-CG2 3.29Å; R297-I305 WeakPolarHBondContact O-CG2 3.27Å; T301-I305 HydrophobicContact CG2-CD1 4.04Å; T301-I305 HydrophobicContact CG2-CG1 3.98Å; I305-V307 HydrophobicContact CG2-CG2 3.64Å; I305-V307 PolarHBondContact O-N 3.15Å
306	D	97.8	Very high	97.2	Very high	29 Å²	29	42 Å²	42	16%	0.155	22%	0.223	C	C	.	.			trans	-88.7	78.4	177.1	-164.5	-16	0	0	0	109.8	Y131 V296 F304 T309 L310	Y131-D306 PolarHBondContact OH-OD2 2.92Å; V296-D306 HydrophobicContact CG1-CB 4.48Å; F304-D306 HydrophobicContact CE1-CB 3.65Å; F304-D306 HydrophobicContact CZ-CB 3.89Å; D306-T309 PolarHBondContact O-N 3.47Å; D306-T309 PolarHBondContact OD1-OG1 3.34Å; D306-T309 PolarHBondContact OD2-OG1 3.06Å; D306-L310 VanDerWaalsContact O-CB 3.24Å; D306-L310 WeakPolarHBondContact O-CB 3.49Å; D306-L310 PolarHBondContact O-N 3.39Å
307	V	98	Very high	97.1	Very high	32 Å²	32	45.9 Å²	45.9	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-57.3	-45.3	-173.8	173.8	0	0	0	0	112.9	M204 K205 I305 L310 C311	M204-V307 HydrophobicContact CB-CG1 3.88Å; M204-V307 HydrophobicContact CE-CG2 4.41Å; K205-V307 HydrophobicContact CG-CG1 4.05Å; I305-V307 HydrophobicContact CG2-CG2 3.64Å; I305-V307 PolarHBondContact O-N 3.15Å; V307-L310 PolarHBondContact O-N 2.91Å; V307-C311 WeakPolarHBondContact O-CB 3.36Å; V307-C311 PolarHBondContact O-N 3.12Å; V307-C311 PolarHBondContact O-SG 3.35Å; V307-C311 VanDerWaalsContact O-SG 3.38Å
308	P	97.9	Very high	97	Very high	89 Å²	89	45.6 Å²	45.6	58%	0.578	25%	0.251	S	S	*	.	H	α-helix	trans	-58.4	-52.8	177.9	-25.1	35.7	0	0	0	112.8	L310 C311 E312	P308-L310 VanDerWaalsContact C-N 3.34Å; P308-L310 PolarHBondContact O-N 3.38Å; P308-C311 PolarHBondContact O-N 3.03Å; P308-E312 WeakPolarHBondContact O-CB 3.2Å; P308-E312 PolarHBondContact O-N 3.35Å; P308-E312 VanDerWaalsContact O-N 3.08Å
309	T	98.2	Very high	96.9	Very high	24 Å²	24	46.4 Å²	46.4	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-43.1	179.2	-63.4	0	0	0	0	111.4	L123 V296 D306 E312 M313	L123-T309 HydrophobicContact CD1-CG2 3.87Å; L123-T309 HydrophobicContact CD2-CG2 3.91Å; V296-T309 HydrophobicContact CG2-CG2 4.17Å; D306-T309 PolarHBondContact O-N 3.47Å; D306-T309 PolarHBondContact OD1-OG1 3.34Å; D306-T309 PolarHBondContact OD2-OG1 3.06Å; T309-E312 PolarHBondContact O-N 3.48Å; T309-M313 HydrophobicContact CG2-SD 4.1Å; T309-M313 VanDerWaalsContact O-CB 3.25Å; T309-M313 WeakPolarHBondContact O-CB 3.3Å; T309-M313 WeakPolarHBondContact O-CG 3.47Å; T309-M313 PolarHBondContact O-N 3.14Å
310	L	98.4	Very high	96.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56	-54.5	175.7	178.6	71.6	0	0	0	110.9	F200 M204 V296 A298 D306 V307 P308 E312 M313 L314	F200-L310 HydrophobicContact CE1-CD2 3.96Å; F200-L310 HydrophobicContact CE1-CG 4.16Å; F200-L310 HydrophobicContact CZ-CD2 4.3Å; M204-L310 HydrophobicContact CE-CD2 3.74Å; M204-L310 HydrophobicContact CG-CD2 4.11Å; M204-L310 HydrophobicContact SD-CD2 4.27Å; V296-L310 HydrophobicContact CG1-CB 3.64Å; V296-L310 HydrophobicContact CG1-CD1 3.92Å; V296-L310 HydrophobicContact CG1-CG 4.38Å; A298-L310 HydrophobicContact CB-CD1 4.01Å; A298-L310 HydrophobicContact CB-CD2 3.46Å; A298-L310 VanDerWaalsContact CB-CD2 3.46Å; A298-L310 HydrophobicContact CB-CG 4.38Å; D306-L310 VanDerWaalsContact O-CB 3.24Å; D306-L310 WeakPolarHBondContact O-CB 3.49Å; D306-L310 PolarHBondContact O-N 3.39Å; V307-L310 PolarHBondContact O-N 2.91Å; P308-L310 VanDerWaalsContact C-N 3.34Å; P308-L310 PolarHBondContact O-N 3.38Å; L310-E312 PolarHBondContact O-N 3.5Å; L310-M313 PolarHBondContact O-N 3.3Å; L310-L314 HydrophobicContact CD1-CD1 4.06Å; L310-L314 HydrophobicContact CD1-CD2 4.18Å; L310-L314 HydrophobicContact CD1-CG 4.27Å; L310-L314 HydrophobicContact CG-CD1 4.35Å; L310-L314 VanDerWaalsContact O-CG 3.3Å; L310-L314 WeakPolarHBondContact O-CG 3.45Å
311	C	98.1	Very high	96.9	Very high	7 Å²	7	50.7 Å²	50.7	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-29.1	-174.9	-71.8	0	0	0	0	112.8	Q197 V307 P308 Y316	Q197-C311 PolarHBondContact NE2-O 3.23Å; V307-C311 WeakPolarHBondContact O-CB 3.36Å; V307-C311 PolarHBondContact O-N 3.12Å; V307-C311 PolarHBondContact O-SG 3.35Å; V307-C311 VanDerWaalsContact O-SG 3.38Å; P308-C311 PolarHBondContact O-N 3.03Å; C311-Y316 WeakPolarHBondContact CA-OH 3.42Å; C311-Y316 VanDerWaalsContact O-CE2 3.25Å; C311-Y316 WeakPolarHBondContact O-CE2 3.49Å; C311-Y316 PolarHBondContact O-OH 2.63Å
312	E	98	Very high	96.9	Very high	156 Å²	156	57.5 Å²	57.5	73%	0.729	32%	0.315	S	S	*	.	H	α-helix	trans	-81	-40.9	179	-173.4	175.7	178.3	0	0	112.8	P308 T309 L310	P308-E312 WeakPolarHBondContact O-CB 3.2Å; P308-E312 PolarHBondContact O-N 3.35Å; P308-E312 VanDerWaalsContact O-N 3.08Å; T309-E312 PolarHBondContact O-N 3.48Å; L310-E312 PolarHBondContact O-N 3.5Å
313	M	97.8	Very high	97.1	Very high	14 Å²	14	56.3 Å²	56.3	7%	0.069	30%	0.302	C	S	.	.	H	α-helix	trans	-77.6	-27	-167.8	73.1	-176.6	-70.4	0	0	114.7	A113 P115 L119 N275 V296 T309 L310	A113-M313 HydrophobicContact CB-CE 4.49Å; P115-M313 HydrophobicContact CB-CE 3.84Å; L119-M313 HydrophobicContact CD2-CB 3.5Å; L119-M313 VanDerWaalsContact CD2-CB 3.5Å; L119-M313 HydrophobicContact CD2-CE 4.11Å; N275-M313 WeakPolarHBondContact CB-O 3.26Å; N275-M313 PolarHBondContact ND2-O 2.93Å; N275-M313 WeakPolarHBondContact OD1-CE 3.3Å; V296-M313 HydrophobicContact CB-SD 3.72Å; V296-M313 HydrophobicContact CG1-SD 3.91Å; V296-M313 HydrophobicContact CG2-CE 4.23Å; V296-M313 HydrophobicContact CG2-SD 3.54Å; V296-M313 VanDerWaalsContact CG2-SD 3.54Å; T309-M313 HydrophobicContact CG2-SD 4.1Å; T309-M313 VanDerWaalsContact O-CB 3.25Å; T309-M313 WeakPolarHBondContact O-CB 3.3Å; T309-M313 WeakPolarHBondContact O-CG 3.47Å; T309-M313 PolarHBondContact O-N 3.14Å; L310-M313 PolarHBondContact O-N 3.3Å
314	L	98.5	Very high	97.2	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.042	28%	0.281	C	S	.	.			trans	-66.2	148.6	-170.2	-61.9	176.4	0	0	0	112	A113 F153 F200 N275 P277 L310 Y316	A113-L314 HydrophobicContact CB-CD2 3.39Å; F153-L314 HydrophobicContact CE2-CB 4.24Å; F153-L314 HydrophobicContact CE2-CD1 4.12Å; F153-L314 HydrophobicContact CZ-CD1 3.85Å; F200-L314 HydrophobicContact CD1-CD1 4.1Å; F200-L314 HydrophobicContact CE1-CD1 3.61Å; F200-L314 HydrophobicContact CZ-CD1 4.17Å; N275-L314 VanDerWaalsContact O-CA 3.29Å; N275-L314 WeakPolarHBondContact O-CA 3.44Å; N275-L314 WeakPolarHBondContact O-CD2 3.36Å; P277-L314 HydrophobicContact CB-CD1 4.36Å; P277-L314 HydrophobicContact CB-CD2 4.26Å; P277-L314 HydrophobicContact CG-CD1 4.24Å; P277-L314 HydrophobicContact CG-CD2 4.38Å; L310-L314 HydrophobicContact CD1-CD1 4.06Å; L310-L314 HydrophobicContact CD1-CD2 4.18Å; L310-L314 HydrophobicContact CD1-CG 4.27Å; L310-L314 HydrophobicContact CG-CD1 4.35Å; L310-L314 VanDerWaalsContact O-CG 3.3Å; L310-L314 WeakPolarHBondContact O-CG 3.45Å; L314-Y316 VanDerWaalsContact C-N 3.33Å; L314-Y316 HydrophobicContact CB-CD2 4.16Å; L314-Y316 HydrophobicContact CB-CE1 4.25Å; L314-Y316 HydrophobicContact CB-CE2 3.75Å; L314-Y316 HydrophobicContact CD1-CE1 4.34Å; L314-Y316 WeakPolarHBondContact O-CD2 3.5Å; L314-Y316 WeakPolarHBondContact O-CE2 3.4Å; L314-Y316 PolarHBondContact O-N 2.98Å
315	S	96.8	Very high	97.4	Very high	50 Å²	50	49.8 Å²	49.8	35%	0.35	27%	0.274	S	S	.	.			trans	-74.3	-19	-176.5	64	0	0	0	0	114.9	N275 T317	N275-S315 PolarHBondContact O-N 2.64Å; S315-T317 PolarHBondContact O-N 3.27Å; S315-T317 PolarHBondContact O-OG1 3.34Å; S315-T317 VanDerWaalsContact O-OG1 3.08Å
316	Y	97.9	Very high	97.5	Very high	6 Å²	6	49.6 Å²	49.6	2%	0.024	27%	0.272	C	S	.	.			trans	44	35.2	-177.3	-60.9	-72.9	0	0	0	114.8	F153 L196 Q197 F200 C311 L314 P318	F153-Y316 HydrophobicContact CD2-CD1 4.24Å; F153-Y316 HydrophobicContact CE1-CD1 4.27Å; F153-Y316 HydrophobicContact CE1-CE1 4.3Å; F153-Y316 AromaticContact CE2-CD1 3.5Å; F153-Y316 HydrophobicContact CE2-CD1 3.5Å; F153-Y316 VanDerWaalsContact CE2-CD1 3.5Å; F153-Y316 AromaticContact CE2-CE1 3.85Å; F153-Y316 HydrophobicContact CE2-CE1 3.85Å; F153-Y316 HydrophobicContact CE2-CG 4.23Å; F153-Y316 AromaticContact CZ-CD1 3.52Å; F153-Y316 HydrophobicContact CZ-CD1 3.52Å; F153-Y316 AromaticContact CZ-CE1 3.47Å; F153-Y316 HydrophobicContact CZ-CE1 3.47Å; F153-Y316 VanDerWaalsContact CZ-CE1 3.47Å; L196-Y316 HydrophobicContact CB-CD1 4.49Å; L196-Y316 HydrophobicContact CD2-CD1 4.33Å; L196-Y316 HydrophobicContact CG-CD1 4.01Å; Q197-Y316 VanDerWaalsContact CA-CE1 3.46Å; Q197-Y316 HydrophobicContact CB-CD1 4.01Å; Q197-Y316 HydrophobicContact CB-CD2 3.71Å; Q197-Y316 HydrophobicContact CB-CE1 3.93Å; Q197-Y316 HydrophobicContact CB-CE2 3.62Å; Q197-Y316 HydrophobicContact CB-CG 3.89Å; Q197-Y316 HydrophobicContact CG-CD2 4.02Å; Q197-Y316 HydrophobicContact CG-CE1 4.29Å; Q197-Y316 HydrophobicContact CG-CE2 3.45Å; Q197-Y316 VanDerWaalsContact CG-CE2 3.45Å; F200-Y316 HydrophobicContact CB-CE1 3.92Å; F200-Y316 HydrophobicContact CD1-CE1 4.05Å; F200-Y316 HydrophobicContact CG-CE1 4.19Å; C311-Y316 WeakPolarHBondContact CA-OH 3.42Å; C311-Y316 VanDerWaalsContact O-CE2 3.25Å; C311-Y316 WeakPolarHBondContact O-CE2 3.49Å; C311-Y316 PolarHBondContact O-OH 2.63Å; L314-Y316 VanDerWaalsContact C-N 3.33Å; L314-Y316 HydrophobicContact CB-CD2 4.16Å; L314-Y316 HydrophobicContact CB-CE1 4.25Å; L314-Y316 HydrophobicContact CB-CE2 3.75Å; L314-Y316 HydrophobicContact CD1-CE1 4.34Å; L314-Y316 WeakPolarHBondContact O-CD2 3.5Å; L314-Y316 WeakPolarHBondContact O-CE2 3.4Å; L314-Y316 PolarHBondContact O-N 2.98Å; Y316-P318 WeakPolarHBondContact O-CD 3.44Å
317	T	95.8	Very high	97.5	Very high	83 Å²	83	54.9 Å²	54.9	51%	0.509	30%	0.3	S	S	.	.			trans	-98.5	97.7	178.6	-56.5	0	0	0	0	108.9	S315	S315-T317 PolarHBondContact O-N 3.27Å; S315-T317 PolarHBondContact O-OG1 3.34Å; S315-T317 VanDerWaalsContact O-OG1 3.08Å
318	P	96.3	Very high	97.5	Very high	39 Å²	39	55.4 Å²	55.4	25%	0.253	30%	0.304	S	S	.	.			trans	-68.6	142.2	-179.8	30.1	-35.6	0	0	0	110.6	F153 R154 V156 V192 L196 Y316	F153-P318 WeakPolarHBondContact O-CA 3.5Å; R154-P318 VanDerWaalsContact O-CB 3.23Å; R154-P318 WeakPolarHBondContact O-CB 3.29Å; V156-P318 HydrophobicContact CG2-CB 4.3Å; V156-P318 HydrophobicContact CG2-CG 4.01Å; V192-P318 HydrophobicContact CG1-CG 3.85Å; L196-P318 HydrophobicContact CD2-CB 4.47Å; Y316-P318 WeakPolarHBondContact O-CD 3.44Å
319	S	96.6	Very high	97.5	Very high	18 Å²	18	56 Å²	56	13%	0.126	31%	0.306	C	S	.	.			trans	-154.5	161.7	176.6	52.4	0	0	0	0	110.5	F153 P155 N260 R324	F153-S319 PolarHBondContact O-N 3.02Å; P155-S319 WeakPolarHBondContact CD-O 3.38Å; N260-S319 PolarHBondContact ND2-O 2.85Å; S319-R324 VanDerWaalsContact OG-CZ 3.27Å; S319-R324 PolarHBondContact OG-NE 2.93Å; S319-R324 PolarHBondContact OG-NH2 2.86Å
320	S	97.5	Very high	97.5	Very high	39 Å²	39	64.6 Å²	64.6	27%	0.273	34%	0.336	S	S	.	.			trans	-68.5	156.2	-179.3	76.5	0	0	0	0	111.1	K322 D323	S320-K322 PolarHBondContact O-N 3.11Å; S320-K322 PolarHBondContact OG-N 3.25Å; S320-D323 WeakPolarHBondContact CB-OD2 3.37Å; S320-D323 PolarHBondContact N-OD2 2.87Å; S320-D323 PolarHBondContact O-N 3.32Å; S320-D323 PolarHBondContact OG-N 2.87Å; S320-D323 PolarHBondContact OG-OD2 3.48Å
321	S	96.7	Very high	97.4	Very high	52 Å²	52	66 Å²	66	36%	0.364	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-56.5	-30.3	172.7	56.6	0	0	0	0	113	N260 L262 R324	N260-S321 PolarHBondContact OD1-N 3.01Å; L262-S321 WeakPolarHBondContact CD2-O 3.48Å; S321-R324 PolarHBondContact O-N 2.9Å
322	K	97	Very high	97.2	Very high	158 Å²	158	75.3 Å²	75.3	69%	0.687	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-66.1	-37.2	176.3	-173.7	-177.3	176.1	-172.6	0	112.3	S320 R324 L325	S320-K322 PolarHBondContact O-N 3.11Å; S320-K322 PolarHBondContact OG-N 3.25Å; K322-R324 PolarHBondContact O-N 2.67Å; K322-L325 WeakPolarHBondContact O-CB 3.4Å; K322-L325 PolarHBondContact O-N 2.86Å
323	D	96.8	Very high	96.9	Very high	103 Å²	103	76 Å²	76	55%	0.551	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-73.1	-11.5	179.1	-53.6	-41.2	0	0	0	112.3	S320	S320-D323 WeakPolarHBondContact CB-OD2 3.37Å; S320-D323 PolarHBondContact N-OD2 2.87Å; S320-D323 PolarHBondContact O-N 3.32Å; S320-D323 PolarHBondContact OG-N 2.87Å; S320-D323 PolarHBondContact OG-OD2 3.48Å
324	R	97.4	Very high	96.9	Very high	35 Å²	35	76.1 Å²	76.1	13%	0.132	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-90.5	-4.9	174.7	-61	-68.6	127.5	-158	0.2	113.2	C151 L262 M270 E273 S319 S321 K322	C151-R324 WeakPolarHBondContact O-CG 3.39Å; L262-R324 HydrophobicContact CD1-CB 3.8Å; L262-R324 HydrophobicContact CD2-CB 4.28Å; M270-R324 WeakPolarHBondContact CB-O 3.27Å; E273-R324 IonicContact OE1-NH1 2.68Å; E273-R324 PolarHBondContact OE1-NH1 3.23Å; S319-R324 VanDerWaalsContact OG-CZ 3.27Å; S319-R324 PolarHBondContact OG-NE 2.93Å; S319-R324 PolarHBondContact OG-NH2 2.86Å; S321-R324 PolarHBondContact O-N 2.9Å; K322-R324 PolarHBondContact O-N 2.67Å
325	L	98.1	Very high	96.8	Very high	58 Å²	58	80.6 Å²	80.6	30%	0.304	42%	0.422	S	S	.	.			trans	-79.4	131.6	170.5	-60.6	179.2	0	0	0	109.8	L264 K322	L264-L325 HydrophobicContact CD2-CD2 3.32Å; K322-L325 WeakPolarHBondContact O-CB 3.4Å; K322-L325 PolarHBondContact O-N 2.86Å
326	F	98.3	Very high	96.8	Very high	41 Å²	41	81.6 Å²	81.6	18%	0.18	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-95.1	116	172.9	-167.4	-81.5	0	0	0	109.6	M140 A269 F271 Y340 D341 P342	M140-F326 HydrophobicContact SD-CD1 4.2Å; M140-F326 HydrophobicContact SD-CE1 4.41Å; M140-F326 HydrophobicContact SD-CG 4.49Å; A269-F326 HydrophobicContact CB-CB 4.17Å; A269-F326 PolarHBondContact O-N 3.02Å; F271-F326 HydrophobicContact CB-CB 4.41Å; F271-F326 HydrophobicContact CB-CD2 3.71Å; F271-F326 HydrophobicContact CB-CE2 4.43Å; F271-F326 HydrophobicContact CB-CG 4.32Å; F326-Y340 HydrophobicContact CD1-CD1 4.06Å; F326-D341 WeakPolarHBondContact CZ-O 3.47Å; F326-P342 HydrophobicContact CE2-CB 4.21Å; F326-P342 HydrophobicContact CZ-CB 4.47Å
327	L	97.6	Very high	96.9	Very high	140 Å²	140	82.2 Å²	82.2	73%	0.733	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-92.2	126.1	-179.4	-61.9	178.5	0	0	0	110.3
328	P	97.9	Very high	97	Very high	44 Å²	44	78.9 Å²	78.9	29%	0.286	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-74	155.8	175.5	31.2	-35	0	0	0	111.7	I339 Y340	P328-I339 CarbonylContact C-O 3.53Å; P328-I339 VanDerWaalsContact CA-O 3.27Å; P328-I339 WeakPolarHBondContact CA-O 3.27Å; P328-I339 WeakPolarHBondContact CB-O 3.26Å; P328-Y340 HydrophobicContact CB-CD1 3.81Å; P328-Y340 HydrophobicContact CB-CD2 3.95Å; P328-Y340 HydrophobicContact CB-CE1 3.68Å; P328-Y340 HydrophobicContact CB-CE2 3.8Å; P328-Y340 HydrophobicContact CB-CG 3.93Å; P328-Y340 HydrophobicContact CG-CD1 4.32Å; P328-Y340 HydrophobicContact CG-CE1 3.72Å; P328-Y340 HydrophobicContact CG-CE2 4.24Å
329	T	97.9	Very high	97.1	Very high	102 Å²	102	78.9 Å²	78.9	63%	0.626	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.4	167.7	-58.6	0	0	0	0	109.4	I339	T329-I339 PolarHBondContact N-O 2.75Å; T329-I339 PolarHBondContact O-N 2.88Å
330	R	97.4	Very high	97.2	Very high	203 Å²	203	78.2 Å²	78.2	77%	0.766	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.7	171.7	-72.1	-171.1	176.6	-168	-2.1	110.4
331	S	96.1	Very high	97.3	Very high	31 Å²	31	80.6 Å²	80.6	22%	0.217	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-64.1	141.6	173	178.1	0	0	0	0	110.7	E333 D334 L337	S331-E333 PolarHBondContact OG-N 3.42Å; S331-D334 WeakPolarHBondContact CB-O 3.26Å; S331-D334 PolarHBondContact OG-N 3.1Å; S331-D334 VanDerWaalsContact OG-N 3.12Å; S331-L337 PolarHBondContact N-O 2.93Å
332	Q	94.1	Very high	97.3	Very high	202 Å²	202	78.2 Å²	78.2	94%	0.944	39%	0.388	S	S	*	.	S	Bend	trans	-82.4	-22.3	172.8	-63.5	-174.5	6.2	0	0	112.1
333	E	93.3	Very high	97.3	Very high	170 Å²	170	76.1 Å²	76.1	79%	0.794	39%	0.39	S	S	*	.	S	Bend	trans	-98.1	-23.4	-175.5	-60.3	-176.1	173.7	0	0	112.6	S331	S331-E333 PolarHBondContact OG-N 3.42Å
334	D	96.4	Very high	97.3	Very high	17 Å²	17	72.5 Å²	72.5	9%	0.091	37%	0.372	C	S	.	.			trans	-128.8	110.4	-178	-176.6	-14.8	0	0	0	110.7	S331 Y336 L337 Y361	S331-D334 WeakPolarHBondContact CB-O 3.26Å; S331-D334 PolarHBondContact OG-N 3.1Å; S331-D334 VanDerWaalsContact OG-N 3.12Å; D334-Y336 PolarHBondContact O-N 3.34Å; D334-Y336 VanDerWaalsContact O-N 3.16Å; D334-Y336 WeakPolarHBondContact OD1-CB 3.09Å; D334-Y336 PolarHBondContact OD1-N 2.83Å; D334-L337 HydrophobicContact CB-CB 3.8Å; D334-L337 HydrophobicContact CB-CD2 4.35Å; D334-L337 PolarHBondContact O-N 2.88Å; D334-Y361 WeakPolarHBondContact OD2-CE2 3.34Å; D334-Y361 VanDerWaalsContact OD2-CZ 3.29Å; D334-Y361 PolarHBondContact OD2-OH 2.56Å
335	P	96.4	Very high	97.3	Very high	102 Å²	102	73.8 Å²	73.8	66%	0.662	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.3	-176.2	29.5	-36.1	0	0	0	113.9
336	Y	98	Very high	97.3	Very high	71 Å²	71	71.1 Å²	71.1	28%	0.278	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-6.1	-177.7	-52.7	-51.9	0	0	0	112.8	D334 M352 E353 V354 P355 V358 Y361	D334-Y336 PolarHBondContact O-N 3.34Å; D334-Y336 VanDerWaalsContact O-N 3.16Å; D334-Y336 WeakPolarHBondContact OD1-CB 3.09Å; D334-Y336 PolarHBondContact OD1-N 2.83Å; Y336-M352 VanDerWaalsContact O-CA 3.3Å; Y336-M352 WeakPolarHBondContact O-CA 3.46Å; Y336-E353 WeakPolarHBondContact CB-O 3.47Å; Y336-E353 VanDerWaalsContact CD1-O 3.29Å; Y336-E353 WeakPolarHBondContact CD1-O 3.32Å; Y336-E353 PolarHBondContact O-N 3.16Å; Y336-V354 HydrophobicContact CD2-CG1 4.43Å; Y336-V354 HydrophobicContact CD2-CG2 4.15Å; Y336-V354 HydrophobicContact CG-CG2 4.16Å; Y336-P355 HydrophobicContact CD1-CG 4.33Å; Y336-P355 HydrophobicContact CE1-CG 3.75Å; Y336-V358 HydrophobicContact CE2-CG2 3.98Å; Y336-V358 WeakPolarHBondContact OH-CG2 3.42Å; Y336-Y361 HydrophobicContact CD2-CD2 4.12Å; Y336-Y361 AromaticContact CD2-CE2 3.95Å; Y336-Y361 HydrophobicContact CD2-CE2 3.95Å
337	L	98.5	Very high	97.3	Very high	19 Å²	19	69.2 Å²	69.2	10%	0.099	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.6	-171.5	174.2	59.8	0	0	0	112.4	S331 D334 I339 M350 K351 M352	S331-L337 PolarHBondContact N-O 2.93Å; D334-L337 HydrophobicContact CB-CB 3.8Å; D334-L337 HydrophobicContact CB-CD2 4.35Å; D334-L337 PolarHBondContact O-N 2.88Å; L337-I339 HydrophobicContact CD1-CG1 4.17Å; L337-I339 HydrophobicContact CD2-CD1 4.3Å; L337-I339 HydrophobicContact CD2-CG1 4.26Å; L337-I339 HydrophobicContact CG-CG1 3.99Å; L337-M350 HydrophobicContact CD1-CB 3.64Å; L337-M350 HydrophobicContact CD1-CG 4.01Å; L337-M350 HydrophobicContact CD1-SD 4.44Å; L337-K351 WeakPolarHBondContact CA-O 3.37Å; L337-M352 HydrophobicContact CB-CG 4.48Å; L337-M352 HydrophobicContact CD1-CG 3.81Å
338	S	98.6	Very high	97.3	Very high	13 Å²	13	62.6 Å²	62.6	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.5	165.4	-61.3	0	0	0	0	110.1	K351	S338-K351 PolarHBondContact N-O 2.79Å; S338-K351 PolarHBondContact O-N 2.51Å
339	I	98.7	Very high	97.4	Very high	39 Å²	39	60.5 Å²	60.5	20%	0.2	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123	-175.3	-51.8	176.8	0	0	0	108.9	P328 T329 L337 D341 M350 L424	P328-I339 CarbonylContact C-O 3.53Å; P328-I339 VanDerWaalsContact CA-O 3.27Å; P328-I339 WeakPolarHBondContact CA-O 3.27Å; P328-I339 WeakPolarHBondContact CB-O 3.26Å; T329-I339 PolarHBondContact N-O 2.75Å; T329-I339 PolarHBondContact O-N 2.88Å; L337-I339 HydrophobicContact CD1-CG1 4.17Å; L337-I339 HydrophobicContact CD2-CD1 4.3Å; L337-I339 HydrophobicContact CD2-CG1 4.26Å; L337-I339 HydrophobicContact CG-CG1 3.99Å; I339-D341 HydrophobicContact CG2-CB 4.18Å; I339-M350 HydrophobicContact CG1-CG 4.42Å; I339-L424 HydrophobicContact CG2-CD1 4.43Å
340	Y	98.8	Very high	97.4	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	102.1	172.8	-57	-107	0	0	0	107.5	M140 I142 G267 A269 F326 P328 P342 A348 I349 K351	M140-Y340 HydrophobicContact CE-CG 4.39Å; I142-Y340 HydrophobicContact CD1-CD1 3.85Å; I142-Y340 HydrophobicContact CD1-CD2 3.62Å; I142-Y340 HydrophobicContact CD1-CE1 4.06Å; I142-Y340 HydrophobicContact CD1-CE2 3.86Å; I142-Y340 HydrophobicContact CD1-CG 3.64Å; I142-Y340 HydrophobicContact CG1-CD1 4.17Å; I142-Y340 HydrophobicContact CG1-CE1 4.25Å; I142-Y340 HydrophobicContact CG1-CG 4.42Å; I142-Y340 HydrophobicContact CG2-CE1 4.23Å; G267-Y340 PolarHBondContact O-OH 3.01Å; A269-Y340 HydrophobicContact CB-CD1 3.68Å; A269-Y340 HydrophobicContact CB-CE1 3.59Å; F326-Y340 HydrophobicContact CD1-CD1 4.06Å; P328-Y340 HydrophobicContact CB-CD1 3.81Å; P328-Y340 HydrophobicContact CB-CD2 3.95Å; P328-Y340 HydrophobicContact CB-CE1 3.68Å; P328-Y340 HydrophobicContact CB-CE2 3.8Å; P328-Y340 HydrophobicContact CB-CG 3.93Å; P328-Y340 HydrophobicContact CG-CD1 4.32Å; P328-Y340 HydrophobicContact CG-CE1 3.72Å; P328-Y340 HydrophobicContact CG-CE2 4.24Å; Y340-P342 WeakPolarHBondContact O-CD 3.38Å; Y340-A348 WeakPolarHBondContact O-CA 3.44Å; Y340-I349 WeakPolarHBondContact CD2-O 3.49Å; Y340-I349 PolarHBondContact N-O 2.89Å; Y340-I349 PolarHBondContact O-N 2.74Å; Y340-K351 HydrophobicContact CD2-CB 4.43Å; Y340-K351 HydrophobicContact CE2-CB 3.73Å; Y340-K351 HydrophobicContact CE2-CD 4.22Å
341	D	98.4	Very high	97.5	Very high	88 Å²	88	47.5 Å²	47.5	47%	0.471	26%	0.255	S	S	.	.			trans	-120.8	82	-171.1	-171.5	31.8	0	0	0	109.9	F326 I339 A348	F326-D341 WeakPolarHBondContact CZ-O 3.47Å; I339-D341 HydrophobicContact CG2-CB 4.18Å; D341-A348 HydrophobicContact CB-CB 4.39Å
342	P	97.9	Very high	97.6	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.019	25%	0.246	C	C	.	.			trans	-65.2	158.8	179.6	28.2	-33.1	0	0	0	110.9	M140 F271 F326 Y340 V344 F347	M140-P342 HydrophobicContact CE-CG 4.43Å; M140-P342 HydrophobicContact SD-CG 4.29Å; F271-P342 HydrophobicContact CD1-CB 4.23Å; F271-P342 HydrophobicContact CD2-CB 3.45Å; F271-P342 VanDerWaalsContact CD2-CB 3.45Å; F271-P342 HydrophobicContact CD2-CG 4.17Å; F271-P342 HydrophobicContact CE1-CB 4.24Å; F271-P342 HydrophobicContact CE2-CB 3.5Å; F271-P342 VanDerWaalsContact CE2-CB 3.5Å; F271-P342 HydrophobicContact CE2-CG 4.1Å; F271-P342 HydrophobicContact CG-CB 3.86Å; F271-P342 HydrophobicContact CZ-CB 3.91Å; F326-P342 HydrophobicContact CE2-CB 4.21Å; F326-P342 HydrophobicContact CZ-CB 4.47Å; Y340-P342 WeakPolarHBondContact O-CD 3.38Å; P342-V344 HydrophobicContact CB-CG2 4.21Å; P342-V344 HydrophobicContact CG-CG2 3.89Å; P342-V344 PolarHBondContact O-N 3.48Å; P342-F347 HydrophobicContact CG-CD2 4.06Å; P342-F347 HydrophobicContact CG-CE2 3.57Å; P342-F347 HydrophobicContact CG-CZ 4.09Å
343	P	96.8	Very high	97.8	Very high	113 Å²	113	41.3 Å²	41.3	73%	0.734	22%	0.223	S	C	*	.	S	Bend	trans	-76.6	52.3	-175.7	34.1	-38.1	0	0	0	112.5	F271	F271-P343 HydrophobicContact CE1-CG 4.12Å
344	V	97	Very high	98.1	Very high	27 Å²	27	33.3 Å²	33.3	16%	0.164	19%	0.185	C	C	.	.	S	Bend	trans	-137.1	145.2	177.2	-65.6	0	0	0	0	109.7	P138 F271 P342 D346 F347	P138-V344 HydrophobicContact CB-CB 4.42Å; P138-V344 HydrophobicContact CB-CG1 3.78Å; P138-V344 HydrophobicContact CB-CG2 4.21Å; P138-V344 HydrophobicContact CG-CB 4.2Å; P138-V344 HydrophobicContact CG-CG1 3.92Å; P138-V344 HydrophobicContact CG-CG2 4.17Å; F271-V344 HydrophobicContact CE2-CG2 4.37Å; F271-V344 HydrophobicContact CZ-CG1 3.8Å; F271-V344 HydrophobicContact CZ-CG2 4.34Å; P342-V344 HydrophobicContact CB-CG2 4.21Å; P342-V344 HydrophobicContact CG-CG2 3.89Å; P342-V344 PolarHBondContact O-N 3.48Å; V344-D346 PolarHBondContact O-N 3.37Å; V344-F347 HydrophobicContact CG2-CD1 4.49Å; V344-F347 HydrophobicContact CG2-CE1 4.17Å; V344-F347 HydrophobicContact CG2-CZ 4.39Å
345	P	96.6	Very high	98.1	Very high	62 Å²	62	34.6 Å²	34.6	40%	0.403	19%	0.194	S	C	.	.	S	Bend	trans	-73.4	-18.7	-178.9	30.5	-35.5	0	0	0	112.7	F92 F347 C423 L425	F92-P345 HydrophobicContact CZ-CB 4.11Å; F92-P345 HydrophobicContact CZ-CG 4.23Å; P345-F347 PolarHBondContact O-N 2.87Å; P345-C423 PolarHBondContact O-SG 2.65Å; P345-L425 HydrophobicContact CB-CD2 3.74Å
346	D	98.1	Very high	98.1	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.169	C	C	.	.	S	Bend	trans	-67.1	-39.2	-166.3	-54.7	-113.4	0	0	0	112.9	P97 H136 A290 V344	P97-D346 WeakPolarHBondContact CG-O 3.4Å; H136-D346 IonicContact CD2-OD1 3.65Å; H136-D346 IonicContact CE1-OD2 2.71Å; H136-D346 PolarHBondContact CE1-OD2 2.77Å; H136-D346 IonicContact NE2-OD1 2.65Å; H136-D346 PolarHBondContact NE2-OD1 2.93Å; H136-D346 VanDerWaalsContact NE2-OD1 3.1Å; H136-D346 IonicContact NE2-OD2 2.56Å; H136-D346 PolarHBondContact NE2-OD2 2.82Å; A290-D346 HydrophobicContact CB-CB 3.97Å; A290-D346 VanDerWaalsContact CB-OD1 3.24Å; A290-D346 WeakPolarHBondContact CB-OD1 3.23Å; V344-D346 PolarHBondContact O-N 3.37Å
347	F	98.6	Very high	98.1	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	19%	0.19	C	C	.	.			trans	-160.5	158.9	-176.2	63.8	-91.5	0	0	0	115.2	F98 P138 M140 F271 C288 P342 V344 P345 C422	F98-F347 HydrophobicContact CB-CB 3.8Å; F98-F347 HydrophobicContact CB-CD1 4.39Å; F98-F347 HydrophobicContact CB-CG 4.44Å; F98-F347 HydrophobicContact CD1-CB 4.18Å; F98-F347 HydrophobicContact CG-CB 4.12Å; P138-F347 HydrophobicContact CB-CE1 4.5Å; P138-F347 HydrophobicContact CG-CE1 4.36Å; P138-F347 WeakPolarHBondContact O-CE1 3.38Å; M140-F347 HydrophobicContact CB-CE2 3.73Å; M140-F347 HydrophobicContact CB-CZ 4.13Å; M140-F347 HydrophobicContact CE-CD2 4.48Å; M140-F347 HydrophobicContact CE-CE2 4.11Å; F271-F347 HydrophobicContact CE2-CZ 4.38Å; C288-F347 HydrophobicContact CB-CD2 3.72Å; C288-F347 HydrophobicContact CB-CE2 3.95Å; C288-F347 HydrophobicContact CB-CG 4.14Å; C288-F347 VanDerWaalsContact O-CZ 3.27Å; C288-F347 WeakPolarHBondContact O-CZ 3.21Å; P342-F347 HydrophobicContact CG-CD2 4.06Å; P342-F347 HydrophobicContact CG-CE2 3.57Å; P342-F347 HydrophobicContact CG-CZ 4.09Å; V344-F347 HydrophobicContact CG2-CD1 4.49Å; V344-F347 HydrophobicContact CG2-CE1 4.17Å; V344-F347 HydrophobicContact CG2-CZ 4.39Å; P345-F347 PolarHBondContact O-N 2.87Å; F347-C422 CarbonylContact C-O 3.51Å; F347-C422 WeakPolarHBondContact CA-O 3.34Å
348	A	98.7	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.2	160.1	0	0	0	0	0	109.4	Y340 D341 A421 C422 L424	Y340-A348 WeakPolarHBondContact O-CA 3.44Å; D341-A348 HydrophobicContact CB-CB 4.39Å; A348-A421 WeakPolarHBondContact O-CA 3.25Å; A348-C422 PolarHBondContact N-O 2.74Å; A348-C422 PolarHBondContact O-N 2.83Å; A348-L424 HydrophobicContact CB-CD1 3.54Å; A348-L424 HydrophobicContact CB-CG 3.84Å
349	I	98.8	Very high	97.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.8	175.3	-51.8	176.7	0	0	0	109.6	F100 M140 I142 V286 C288 Y340 F419	F100-I349 HydrophobicContact CE2-CD1 4.38Å; F100-I349 HydrophobicContact CE2-CG2 4.47Å; M140-I349 HydrophobicContact CE-CB 3.77Å; M140-I349 HydrophobicContact CE-CD1 3.36Å; M140-I349 HydrophobicContact CE-CG1 3.41Å; M140-I349 VanDerWaalsContact CE-CG1 3.41Å; I142-I349 HydrophobicContact CD1-CB 3.96Å; I142-I349 HydrophobicContact CD1-CD1 3.83Å; I142-I349 HydrophobicContact CD1-CG2 3.79Å; I142-I349 HydrophobicContact CG1-CD1 4.36Å; V286-I349 HydrophobicContact CG1-CD1 4.35Å; C288-I349 HydrophobicContact CB-CD1 3.41Å; C288-I349 VanDerWaalsContact CB-CD1 3.41Å; C288-I349 HydrophobicContact CB-CG1 3.73Å; Y340-I349 WeakPolarHBondContact CD2-O 3.49Å; Y340-I349 PolarHBondContact N-O 2.89Å; Y340-I349 PolarHBondContact O-N 2.74Å; I349-F419 HydrophobicContact CG2-CB 4.45Å; I349-F419 HydrophobicContact CG2-CD1 3.86Å
350	M	98.8	Very high	97.7	Very high	14 Å²	14	40.5 Å²	40.5	7%	0.069	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	123	172.7	-68.9	-178.7	-179	0	0	109.4	L337 I339 M352 L366 F419 R420 L424	L337-M350 HydrophobicContact CD1-CB 3.64Å; L337-M350 HydrophobicContact CD1-CG 4.01Å; L337-M350 HydrophobicContact CD1-SD 4.44Å; I339-M350 HydrophobicContact CG1-CG 4.42Å; M350-M352 HydrophobicContact CB-CE 4.31Å; M350-L366 HydrophobicContact CE-CD1 3.86Å; M350-L366 HydrophobicContact CE-CD2 3.98Å; M350-L366 HydrophobicContact SD-CD1 4.13Å; M350-F419 CarbonylContact O-C 3.42Å; M350-F419 VanDerWaalsContact O-CA 3.3Å; M350-F419 WeakPolarHBondContact O-CA 3.45Å; M350-R420 HydrophobicContact CB-CB 4.2Å; M350-R420 PolarHBondContact N-O 3.05Å; M350-R420 PolarHBondContact O-N 3.07Å; M350-L424 HydrophobicContact CE-CD1 4.37Å; M350-L424 HydrophobicContact CE-CD2 3.95Å
351	K	98.8	Very high	97.6	Very high	18 Å²	18	41 Å²	41	8%	0.078	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.8	174.4	179.2	-171.2	152.4	-168.9	0	108.9	L337 S338 Y340 E353 L417 F419	L337-K351 WeakPolarHBondContact CA-O 3.37Å; S338-K351 PolarHBondContact N-O 2.79Å; S338-K351 PolarHBondContact O-N 2.51Å; Y340-K351 HydrophobicContact CD2-CB 4.43Å; Y340-K351 HydrophobicContact CE2-CB 3.73Å; Y340-K351 HydrophobicContact CE2-CD 4.22Å; K351-E353 WeakPolarHBondContact CE-OE1 3.45Å; K351-E353 WeakPolarHBondContact CE-OE2 3.47Å; K351-E353 IonicContact NZ-OE1 3.38Å; K351-E353 PolarHBondContact NZ-OE1 2.88Å; K351-E353 IonicContact NZ-OE2 3.81Å; K351-E353 PolarHBondContact NZ-OE2 2.9Å; K351-L417 HydrophobicContact CG-CD1 4.13Å; K351-F419 HydrophobicContact CB-CD1 4.03Å; K351-F419 HydrophobicContact CB-CE1 3.82Å; K351-F419 HydrophobicContact CB-CZ 4.48Å; K351-F419 HydrophobicContact CD-CE1 3.96Å; K351-F419 HydrophobicContact CD-CZ 3.97Å; K351-F419 HydrophobicContact CG-CD1 4.22Å; K351-F419 HydrophobicContact CG-CE1 3.68Å; K351-F419 HydrophobicContact CG-CE2 4.49Å; K351-F419 HydrophobicContact CG-CZ 3.84Å
352	M	98.6	Very high	97.5	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.3	-179.3	-63.4	148.1	-78.8	0	0	109.9	Y336 L337 M350 Y361 L417 I418 R420	Y336-M352 VanDerWaalsContact O-CA 3.3Å; Y336-M352 WeakPolarHBondContact O-CA 3.46Å; L337-M352 HydrophobicContact CB-CG 4.48Å; L337-M352 HydrophobicContact CD1-CG 3.81Å; M350-M352 HydrophobicContact CB-CE 4.31Å; M352-Y361 HydrophobicContact CB-CE1 4.24Å; M352-Y361 HydrophobicContact CG-CE1 4.2Å; M352-Y361 VanDerWaalsContact CG-OH 3.26Å; M352-Y361 WeakPolarHBondContact CG-OH 3.46Å; M352-Y361 HydrophobicContact SD-CE1 3.92Å; M352-L417 WeakPolarHBondContact O-CA 3.36Å; M352-I418 HydrophobicContact CB-CB 4.43Å; M352-I418 HydrophobicContact CE-CB 4.07Å; M352-I418 HydrophobicContact CE-CG2 3.58Å; M352-I418 PolarHBondContact N-O 2.86Å; M352-I418 PolarHBondContact O-N 3.4Å; M352-R420 HydrophobicContact CE-CB 3.71Å
353	E	98.4	Very high	97.5	Very high	99 Å²	99	42.1 Å²	42.1	46%	0.463	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	91.1	178.8	-75.4	173.1	131	0	0	109.6	Y336 K351 L417	Y336-E353 WeakPolarHBondContact CB-O 3.47Å; Y336-E353 VanDerWaalsContact CD1-O 3.29Å; Y336-E353 WeakPolarHBondContact CD1-O 3.32Å; Y336-E353 PolarHBondContact O-N 3.16Å; K351-E353 WeakPolarHBondContact CE-OE1 3.45Å; K351-E353 WeakPolarHBondContact CE-OE2 3.47Å; K351-E353 IonicContact NZ-OE1 3.38Å; K351-E353 PolarHBondContact NZ-OE1 2.88Å; K351-E353 IonicContact NZ-OE2 3.81Å; K351-E353 PolarHBondContact NZ-OE2 2.9Å; E353-L417 HydrophobicContact CG-CD1 3.72Å
354	V	98.3	Very high	97.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.1	-172.6	-179.1	0	0	0	0	109.7	Y336 V358 Y361 D415 L416	Y336-V354 HydrophobicContact CD2-CG1 4.43Å; Y336-V354 HydrophobicContact CD2-CG2 4.15Å; Y336-V354 HydrophobicContact CG-CG2 4.16Å; V354-V358 HydrophobicContact CG1-CB 3.67Å; V354-V358 HydrophobicContact CG1-CG1 3.85Å; V354-V358 HydrophobicContact CG1-CG2 4.1Å; V354-Y361 HydrophobicContact CG1-CD2 4.32Å; V354-Y361 HydrophobicContact CG1-CG 4.26Å; V354-Y361 HydrophobicContact CG2-CD1 3.78Å; V354-Y361 HydrophobicContact CG2-CD2 3.65Å; V354-Y361 HydrophobicContact CG2-CE1 3.92Å; V354-Y361 HydrophobicContact CG2-CE2 3.83Å; V354-Y361 HydrophobicContact CG2-CG 3.63Å; V354-D415 WeakPolarHBondContact O-CA 3.28Å; V354-L416 HydrophobicContact CB-CB 4.16Å; V354-L416 HydrophobicContact CB-CD2 4.3Å; V354-L416 HydrophobicContact CG2-CD2 4.48Å; V354-L416 PolarHBondContact N-O 3.4Å; V354-L416 PolarHBondContact O-N 3.45Å
355	P	97.9	Very high	97.4	Very high	44 Å²	44	41.6 Å²	41.6	29%	0.286	24%	0.236	S	C	.	.			trans	-62.5	145.9	178.2	-23.4	33.6	0	0	0	112.6	Y336 S357 V358 D415	Y336-P355 HydrophobicContact CD1-CG 4.33Å; Y336-P355 HydrophobicContact CE1-CG 3.75Å; P355-S357 PolarHBondContact O-N 2.96Å; P355-V358 WeakPolarHBondContact O-CB 3.44Å; P355-V358 PolarHBondContact O-N 3.27Å; P355-D415 WeakPolarHBondContact CA-OD1 3.37Å
356	G	96.9	Very high	97.3	Very high	12 Å²	12	40.2 Å²	40.2	12%	0.124	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-8.8	177.8	0	0	0	0	0	115.1	V358 K414 D415	G356-V358 VanDerWaalsContact C-N 3.35Å; G356-K414 WeakPolarHBondContact CA-O 3.17Å; G356-D415 PolarHBondContact N-OD1 3.46Å
357	S	96.6	Very high	97.2	Very high	102 Å²	102	43.3 Å²	43.3	71%	0.713	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-19	171.1	57.5	0	0	0	0	113.5	P355	P355-S357 PolarHBondContact O-N 2.96Å
358	V	96.8	Very high	97.1	Very high	28 Å²	28	43.4 Å²	43.4	17%	0.17	24%	0.242	C	C	.	.			trans	-83.2	113.6	174.6	179	0	0	0	0	108.3	Y336 V354 P355 G356 E360 L410	Y336-V358 HydrophobicContact CE2-CG2 3.98Å; Y336-V358 WeakPolarHBondContact OH-CG2 3.42Å; V354-V358 HydrophobicContact CG1-CB 3.67Å; V354-V358 HydrophobicContact CG1-CG1 3.85Å; V354-V358 HydrophobicContact CG1-CG2 4.1Å; P355-V358 WeakPolarHBondContact O-CB 3.44Å; P355-V358 PolarHBondContact O-N 3.27Å; G356-V358 VanDerWaalsContact C-N 3.35Å; V358-E360 WeakPolarHBondContact CG1-O 3.24Å; V358-L410 WeakPolarHBondContact O-CD1 2.98Å; V358-L410 WeakPolarHBondContact O-CD2 3.48Å
359	T	94.7	Very high	97.1	Very high	108 Å²	108	43.5 Å²	43.5	66%	0.663	24%	0.243	S	C	*	.	S	Bend	trans	-80.8	-25	-174.9	52.9	0	0	0	0	113.5	L410	T359-L410 PolarHBondContact O-N 2.78Å
360	E	96.1	Very high	97.1	Very high	118 Å²	118	43.5 Å²	43.5	55%	0.551	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	132.7	178.5	-175.8	168.7	-142.8	0	0	110.1	V358 L408	V358-E360 WeakPolarHBondContact CG1-O 3.24Å; E360-L408 WeakPolarHBondContact CA-O 3.39Å
361	Y	97.4	Very high	97.1	Very high	14 Å²	14	42.8 Å²	42.8	6%	0.055	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.6	179.7	176.5	-107.5	0	0	0	110.4	D334 Y336 M352 V354 V363 L408	D334-Y361 WeakPolarHBondContact OD2-CE2 3.34Å; D334-Y361 VanDerWaalsContact OD2-CZ 3.29Å; D334-Y361 PolarHBondContact OD2-OH 2.56Å; Y336-Y361 HydrophobicContact CD2-CD2 4.12Å; Y336-Y361 AromaticContact CD2-CE2 3.95Å; Y336-Y361 HydrophobicContact CD2-CE2 3.95Å; M352-Y361 HydrophobicContact CB-CE1 4.24Å; M352-Y361 HydrophobicContact CG-CE1 4.2Å; M352-Y361 VanDerWaalsContact CG-OH 3.26Å; M352-Y361 WeakPolarHBondContact CG-OH 3.46Å; M352-Y361 HydrophobicContact SD-CE1 3.92Å; V354-Y361 HydrophobicContact CG1-CD2 4.32Å; V354-Y361 HydrophobicContact CG1-CG 4.26Å; V354-Y361 HydrophobicContact CG2-CD1 3.78Å; V354-Y361 HydrophobicContact CG2-CD2 3.65Å; V354-Y361 HydrophobicContact CG2-CE1 3.92Å; V354-Y361 HydrophobicContact CG2-CE2 3.83Å; V354-Y361 HydrophobicContact CG2-CG 3.63Å; Y361-V363 HydrophobicContact CD1-CG2 4.33Å; Y361-V363 HydrophobicContact CE1-CG2 4.08Å; Y361-L408 HydrophobicContact CD1-CD1 4.38Å; Y361-L408 PolarHBondContact N-O 2.93Å; Y361-L408 WeakPolarHBondContact O-CB 3.47Å; Y361-L408 PolarHBondContact O-N 3.07Å
362	K	96.6	Very high	97.1	Very high	113 Å²	113	42 Å²	42	49%	0.491	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.1	-176	-172.6	178.5	-179.3	-179.6	0	110.7	L364	K362-L364 HydrophobicContact CD-CD2 4.31Å; K362-L364 HydrophobicContact CG-CD2 4.38Å; K362-L364 PolarHBondContact O-N 2.71Å
363	V	96.8	Very high	97.1	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	113.7	167.5	-179.5	0	0	0	0	108.2	Y361 L372 I400 S405 V406 L408 R420	Y361-V363 HydrophobicContact CD1-CG2 4.33Å; Y361-V363 HydrophobicContact CE1-CG2 4.08Å; V363-L372 HydrophobicContact CG1-CD1 4.37Å; V363-L372 HydrophobicContact CG2-CD1 3.98Å; V363-I400 HydrophobicContact CG1-CD1 4.41Å; V363-S405 WeakPolarHBondContact O-CA 3.39Å; V363-S405 WeakPolarHBondContact O-CB 3.14Å; V363-V406 HydrophobicContact CB-CB 4.27Å; V363-V406 PolarHBondContact N-O 2.81Å; V363-V406 PolarHBondContact O-N 3.15Å; V363-L408 HydrophobicContact CG2-CD1 3.68Å; V363-L408 HydrophobicContact CG2-CG 4.1Å; V363-R420 VanDerWaalsContact CG1-NH1 3.3Å
364	L	95.4	Very high	97.1	Very high	82 Å²	82	37 Å²	37	43%	0.429	21%	0.212	S	C	.	.			trans	-68.5	151.8	-175.8	-61.1	-178.7	0	0	0	112.4	K362 R420	K362-L364 HydrophobicContact CD-CD2 4.31Å; K362-L364 HydrophobicContact CG-CD2 4.38Å; K362-L364 PolarHBondContact O-N 2.71Å; L364-R420 PolarHBondContact O-NH1 2.89Å
365	A	95.8	Very high	97.1	Very high	47 Å²	47	37.3 Å²	37.3	39%	0.388	21%	0.214	S	C	.	.			trans	-67.5	145.8	174.1	0	0	0	0	0	110.9	E404	A365-E404 VanDerWaalsContact CA-O 3.28Å; A365-E404 WeakPolarHBondContact CA-O 3.4Å
366	L	95.9	Very high	97.1	Very high	32 Å²	32	39.2 Å²	39.2	17%	0.168	22%	0.22	C	C	.	.			trans	-124.9	148.9	171.9	-62.5	176.7	0	0	0	108.1	M350 S368 N403 R420 C422 L424	M350-L366 HydrophobicContact CE-CD1 3.86Å; M350-L366 HydrophobicContact CE-CD2 3.98Å; M350-L366 HydrophobicContact SD-CD1 4.13Å; L366-S368 PolarHBondContact O-N 3.44Å; L366-N403 PolarHBondContact O-N 3.31Å; L366-R420 VanDerWaalsContact CD1-CZ 3.43Å; L366-C422 HydrophobicContact CD1-CB 3.79Å; L366-L424 HydrophobicContact CD1-CD2 4.36Å; L366-L424 HydrophobicContact CD2-CD2 4.39Å
367	D	95.5	Very high	97	Very high	68 Å²	68	39.2 Å²	39.2	36%	0.364	22%	0.22	S	C	.	.	S	Bend	trans	-76.6	45.1	170.3	-167.7	27.2	0	0	0	111.5	N403	D367-N403 PolarHBondContact OD1-ND2 2.61Å
368	S	97	Very high	97	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.028	20%	0.198	C	C	.	.	S	Bend	trans	-161.3	140.5	-172.8	-173	0	0	0	0	110.3	L84 L366 C423	L84-S368 VanDerWaalsContact O-CA 3.32Å; L84-S368 WeakPolarHBondContact O-CA 3.16Å; L366-S368 PolarHBondContact O-N 3.44Å; S368-C423 WeakPolarHBondContact CB-O 3.2Å; S368-C423 PolarHBondContact OG-N 2.8Å; S368-C423 PolarHBondContact OG-O 3.24Å
369	A	97.9	Very high	97	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	19%	0.19	C	C	.	.			trans	-63	150.3	166.3	0	0	0	0	0	110.9	L84 L96 F399 I400	L84-A369 HydrophobicContact CD2-CB 3.94Å; L84-A369 PolarHBondContact O-N 3.04Å; L96-A369 HydrophobicContact CD1-CB 4.33Å; A369-F399 HydrophobicContact CB-CE2 3.85Å; A369-F399 HydrophobicContact CB-CZ 3.87Å; A369-I400 CarbonylContact C-O 3.51Å; A369-I400 WeakPolarHBondContact CA-O 3.42Å
370	S	98.7	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.6	-178.3	55.3	0	0	0	0	112.4	I400 R420 A421	S370-I400 PolarHBondContact N-O 2.99Å; S370-I400 PolarHBondContact O-N 3.44Å; S370-I400 PolarHBondContact OG-O 3.14Å; S370-R420 VanDerWaalsContact CB-NE 3.34Å; S370-R420 PolarHBondContact OG-NE 2.88Å; S370-R420 PolarHBondContact OG-NH2 3.22Å; S370-A421 CarbonylContact C-O 3.56Å; S370-A421 WeakPolarHBondContact CA-O 3.39Å; S370-A421 WeakPolarHBondContact CB-O 3.48Å
371	I	98.9	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.1	175.8	-62.9	-179.9	0	0	0	107.8	M53 L73 L96 F98 F100 V397 L398 F399 R420 A421	M53-I371 HydrophobicContact CB-CD1 4.42Å; M53-I371 HydrophobicContact CB-CG2 3.9Å; M53-I371 WeakPolarHBondContact O-CD1 3.39Å; L73-I371 HydrophobicContact CD2-CD1 4.29Å; L96-I371 HydrophobicContact CD2-CD1 3.93Å; F98-I371 HydrophobicContact CE2-CD1 4.19Å; F98-I371 HydrophobicContact CE2-CG1 4.35Å; F100-I371 HydrophobicContact CD1-CB 4.44Å; F100-I371 HydrophobicContact CD1-CG2 4.03Å; I371-V397 HydrophobicContact CG2-CG1 3.56Å; I371-L398 WeakPolarHBondContact CA-O 3.29Å; I371-F399 HydrophobicContact CG1-CD2 4.5Å; I371-R420 CarbonylContact O-C 3.21Å; I371-R420 VanDerWaalsContact O-CA 3.26Å; I371-R420 WeakPolarHBondContact O-CA 3.32Å; I371-A421 PolarHBondContact N-O 2.75Å; I371-A421 PolarHBondContact O-N 3.27Å
372	L	98.8	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.2	178.9	-176.7	154.7	0	0	0	109.7	V363 V374 V397 L398 I400 I418 F419	V363-L372 HydrophobicContact CG1-CD1 4.37Å; V363-L372 HydrophobicContact CG2-CD1 3.98Å; L372-V374 HydrophobicContact CD2-CG2 3.94Å; L372-V397 CarbonylContact O-C 3.55Å; L372-V397 VanDerWaalsContact O-CA 3.24Å; L372-V397 WeakPolarHBondContact O-CA 3.35Å; L372-L398 HydrophobicContact CB-CB 4.3Å; L372-L398 PolarHBondContact N-O 3.18Å; L372-L398 PolarHBondContact O-N 3.12Å; L372-I400 HydrophobicContact CB-CD1 4.03Å; L372-I400 HydrophobicContact CD1-CD1 4.03Å; L372-I418 HydrophobicContact CD1-CG2 3.78Å; L372-I418 HydrophobicContact CD2-CD1 4.46Å; L372-I418 HydrophobicContact CD2-CG2 3.58Å; L372-I418 HydrophobicContact CG-CG2 3.38Å; L372-F419 CarbonylContact C-O 3.52Å; L372-F419 WeakPolarHBondContact CA-O 3.14Å
373	L	98.8	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.8	174	170.3	67.9	0	0	0	109.9	M53 F100 V102 V375 V397 I418 F419	M53-L373 HydrophobicContact CE-CD2 4.13Å; M53-L373 HydrophobicContact SD-CB 4.1Å; M53-L373 HydrophobicContact SD-CD1 4.17Å; M53-L373 HydrophobicContact SD-CD2 4.24Å; M53-L373 HydrophobicContact SD-CG 4.4Å; F100-L373 HydrophobicContact CE1-CB 3.83Å; F100-L373 HydrophobicContact CE1-CD2 4.45Å; V102-L373 HydrophobicContact CG2-CD2 3.43Å; V102-L373 VanDerWaalsContact CG2-CD2 3.43Å; L373-V375 HydrophobicContact CD2-CG2 3.81Å; L373-V375 HydrophobicContact CG-CG2 3.96Å; L373-V397 HydrophobicContact CD1-CG2 3.87Å; L373-I418 WeakPolarHBondContact O-CA 3.17Å; L373-I418 WeakPolarHBondContact O-CG2 3.49Å; L373-F419 PolarHBondContact N-O 3.1Å; L373-F419 PolarHBondContact O-N 3.21Å
374	V	98.6	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	113.8	168.9	-177.5	0	0	0	0	109.2	L372 L392 Q393 R394 G395 G396 L416 I418	L372-V374 HydrophobicContact CD2-CG2 3.94Å; V374-L392 HydrophobicContact CG2-CB 4.12Å; V374-L392 HydrophobicContact CG2-CD1 4.41Å; V374-Q393 WeakPolarHBondContact CB-O 3.21Å; V374-R394 CarbonylContact O-C 3.54Å; V374-G395 PolarHBondContact O-N 2.78Å; V374-G396 PolarHBondContact N-O 2.83Å; V374-L416 HydrophobicContact CG1-CD1 4.19Å; V374-I418 HydrophobicContact CG2-CG1 4.28Å
375	V	98.4	Very high	94.5	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-34.1	176.4	178.5	0	0	0	0	110.7	L144 L373 R394 L417 F419	L144-V375 HydrophobicContact CD2-CG1 4.19Å; L144-V375 HydrophobicContact CD2-CG2 4.46Å; L373-V375 HydrophobicContact CD2-CG2 3.81Å; L373-V375 HydrophobicContact CG-CG2 3.96Å; V375-R394 WeakPolarHBondContact O-CD 3.38Å; V375-R394 VanDerWaalsContact O-CG 3.28Å; V375-R394 WeakPolarHBondContact O-CG 3.48Å; V375-R394 PolarHBondContact O-NE 2.66Å; V375-R394 PolarHBondContact O-NH1 3.49Å; V375-L417 HydrophobicContact CB-CB 4.5Å; V375-L417 HydrophobicContact CB-CD2 4.11Å; V375-L417 HydrophobicContact CB-CG 4.15Å; V375-L417 HydrophobicContact CG1-CD2 3.98Å; V375-L417 PolarHBondContact N-O 2.91Å; V375-F419 HydrophobicContact CG2-CD2 3.74Å; V375-F419 HydrophobicContact CG2-CE2 4.08Å
376	Q	97.4	Very high	93.2	Very high	85 Å²	85	28.4 Å²	28.4	40%	0.397	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	144.7	177	-171.5	-176.8	-59	0	0	110.2	D415 L416 L417	Q376-D415 WeakPolarHBondContact CG-O 3.39Å; Q376-D415 PolarHBondContact NE2-O 3.25Å; Q376-L416 WeakPolarHBondContact O-CA 3.48Å; Q376-L416 VanDerWaalsContact O-CD1 3.29Å; Q376-L416 WeakPolarHBondContact O-CD1 3.42Å; Q376-L417 HydrophobicContact CB-CB 3.77Å; Q376-L417 PolarHBondContact N-O 3.41Å; Q376-L417 VanDerWaalsContact N-O 3.12Å; Q376-L417 PolarHBondContact O-N 3.48Å
377	G	95.9	Very high	91.7	Very high	12 Å²	12	36.3 Å²	36.3	12%	0.124	20%	0.204	C	C	.	.			trans	99	172	176.4	0	0	0	0	0	113.5	R394	G377-R394 PolarHBondContact O-N 3Å
378	T	95.9	Very high	91.1	Very high	43 Å²	43	36.9 Å²	36.9	26%	0.264	21%	0.21	S	C	.	.			trans	-135.5	122.5	179.7	-52.4	0	0	0	0	109.1	L392 Q393 T411	T378-L392 CarbonylContact C-O 3.58Å; T378-L392 WeakPolarHBondContact CA-O 3.42Å; T378-Q393 HydrophobicContact CG2-CB 4.1Å; T378-T411 VanDerWaalsContact CB-OG1 3.32Å; T378-T411 WeakPolarHBondContact CB-OG1 3.46Å; T378-T411 VanDerWaalsContact CG2-OG1 3.24Å; T378-T411 WeakPolarHBondContact CG2-OG1 3.4Å; T378-T411 PolarHBondContact O-N 3.46Å; T378-T411 PolarHBondContact O-OG1 3.35Å
379	V	97.1	Very high	90.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.5	-174.6	-62.1	0	0	0	0	111.3	L392 L408 K409 L410 L416	V379-L392 HydrophobicContact CG2-CB 3.85Å; V379-L392 HydrophobicContact CG2-CD1 4.44Å; V379-L392 PolarHBondContact N-O 2.84Å; V379-L392 PolarHBondContact O-N 3.29Å; V379-L408 HydrophobicContact CB-CB 4.24Å; V379-L408 HydrophobicContact CG1-CB 4.29Å; V379-L408 HydrophobicContact CG2-CB 4.4Å; V379-L408 HydrophobicContact CG2-CD2 4.11Å; V379-K409 CarbonylContact C-O 3.57Å; V379-K409 WeakPolarHBondContact CA-O 3.28Å; V379-L410 HydrophobicContact CG1-CD1 4.1Å; V379-L410 HydrophobicContact CG1-CG 4.09Å; V379-L416 HydrophobicContact CG1-CD1 3.61Å; V379-L416 HydrophobicContact CG1-CD2 3.79Å; V379-L416 HydrophobicContact CG1-CG 4.33Å
380	I	96.9	Very high	90.6	Very high	64 Å²	64	41 Å²	41	33%	0.328	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.3	163.6	-66	168.7	0	0	0	106.7	P389 K409 T411	I380-P389 HydrophobicContact CG2-CB 3.35Å; I380-K409 PolarHBondContact N-O 3.02Å; I380-K409 PolarHBondContact O-N 3.32Å; I380-T411 HydrophobicContact CD1-CG2 3.7Å; I380-T411 HydrophobicContact CG1-CG2 3.63Å
381	A	96.1	Very high	90.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	137.8	175.2	0	0	0	0	0	110.9	I390 L392 V406 S407 L408	A381-I390 HydrophobicContact CB-CB 4.2Å; A381-I390 PolarHBondContact N-O 3.05Å; A381-I390 PolarHBondContact O-N 3.38Å; A381-L392 HydrophobicContact CB-CD1 3.94Å; A381-V406 HydrophobicContact CB-CG1 3.76Å; A381-S407 CarbonylContact C-O 3.55Å; A381-S407 WeakPolarHBondContact CA-O 3.39Å; A381-L408 HydrophobicContact CB-CD2 3.57Å
382	S	93.8	Very high	90.2	Very high	45 Å²	45	46.3 Å²	46.3	32%	0.315	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.4	172.4	62.6	0	0	0	0	109.9	V406 S407	S382-V406 WeakPolarHBondContact O-CA 3.22Å; S382-S407 PolarHBondContact N-O 3.1Å; S382-S407 PolarHBondContact O-N 2.98Å
383	T	88.4	Confident	90	Very high	11 Å²	11	50.4 Å²	50.4	7%	0.067	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.2	173	81.4	0	0	0	0	109.7	V8 T385 T386 V406	V8-T383 HydrophobicContact CB-CG2 3.68Å; V8-T383 HydrophobicContact CG1-CG2 3.74Å; V8-T383 HydrophobicContact CG2-CG2 3.76Å; T383-T385 PolarHBondContact O-N 3.25Å; T383-T385 PolarHBondContact OG1-N 3.38Å; T383-T385 PolarHBondContact OG1-OG1 3.11Å; T383-T386 PolarHBondContact O-N 2.66Å; T383-T386 PolarHBondContact OG1-N 2.83Å; T383-T386 PolarHBondContact OG1-OG1 2.82Å; T383-V406 HydrophobicContact CG2-CG2 4.22Å
384	P	79.1	Confident	89.9	Confident	105 Å²	105	53.9 Å²	53.9	68%	0.682	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.3	174.7	-23.7	34	0	0	0	113.2	S405	P384-S405 WeakPolarHBondContact CD-O 3.32Å
385	T	69.6	Low	89.9	Confident	94 Å²	94	54 Å²	54	58%	0.577	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-12	-171.4	50.7	0	0	0	0	113.8	T383 E404	T383-T385 PolarHBondContact O-N 3.25Å; T383-T385 PolarHBondContact OG1-N 3.38Å; T383-T385 PolarHBondContact OG1-OG1 3.11Å; T385-E404 PolarHBondContact OG1-OE2 3.08Å; T385-E404 VanDerWaalsContact OG1-OE2 3.05Å
386	T	67.8	Low	89.9	Confident	23 Å²	23	54 Å²	54	14%	0.141	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.9	179.3	47	0	0	0	0	112.7	R67 T383	R67-T386 VanDerWaalsContact NH1-CG2 3.29Å; T383-T386 PolarHBondContact O-N 2.66Å; T383-T386 PolarHBondContact OG1-N 2.83Å; T383-T386 PolarHBondContact OG1-OG1 2.82Å
387	Q	65.6	Low	89.9	Confident	198 Å²	198	50.2 Å²	50.2	93%	0.925	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	-18.7	178.4	-68.1	179.8	2.2	0	0	113.3	P389	Q387-P389 WeakPolarHBondContact O-CD 3.33Å
388	T	82.8	Confident	90	Very high	81 Å²	81	49.6 Å²	49.6	50%	0.497	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.2	-177.2	-46	0	0	0	0	110.3
389	P	89.8	Confident	90.1	Very high	78 Å²	78	47.6 Å²	47.6	51%	0.506	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.7	174.3	-14.4	27.7	0	0	0	111.4	I380 Q387 P391	I380-P389 HydrophobicContact CG2-CB 3.35Å; Q387-P389 WeakPolarHBondContact O-CD 3.33Å; P389-P391 WeakPolarHBondContact O-CD 3.27Å
390	I	93.8	Very high	90.1	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.062	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	103	-179.5	-54.9	170.9	0	0	0	107.9	V8 P10 A381 L392 L398	V8-I390 HydrophobicContact CG1-CD1 4.42Å; P10-I390 HydrophobicContact CB-CG2 4.46Å; P10-I390 HydrophobicContact CG-CG2 4.35Å; A381-I390 HydrophobicContact CB-CB 4.2Å; A381-I390 PolarHBondContact N-O 3.05Å; A381-I390 PolarHBondContact O-N 3.38Å; I390-L392 HydrophobicContact CG2-CD2 4.2Å; I390-L392 HydrophobicContact CG2-CG 4.35Å; I390-L392 PolarHBondContact O-N 2.91Å; I390-L398 HydrophobicContact CD1-CD1 4.08Å; I390-L398 HydrophobicContact CG2-CD1 4.17Å
391	P	94.3	Very high	90.1	Very high	104 Å²	104	44.5 Å²	44.5	68%	0.675	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.5	174.8	28.5	-32.9	0	0	0	109.9	P389	P389-P391 WeakPolarHBondContact O-CD 3.27Å
392	L	95.2	Very high	90.2	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.9	174.2	-62.6	172.6	0	0	0	108.9	V374 T378 V379 A381 I390 L398	V374-L392 HydrophobicContact CG2-CB 4.12Å; V374-L392 HydrophobicContact CG2-CD1 4.41Å; T378-L392 CarbonylContact C-O 3.58Å; T378-L392 WeakPolarHBondContact CA-O 3.42Å; V379-L392 HydrophobicContact CG2-CB 3.85Å; V379-L392 HydrophobicContact CG2-CD1 4.44Å; V379-L392 PolarHBondContact N-O 2.84Å; V379-L392 PolarHBondContact O-N 3.29Å; A381-L392 HydrophobicContact CB-CD1 3.94Å; I390-L392 HydrophobicContact CG2-CD2 4.2Å; I390-L392 HydrophobicContact CG2-CG 4.35Å; I390-L392 PolarHBondContact O-N 2.91Å; L392-L398 HydrophobicContact CD1-CB 4.34Å; L392-L398 HydrophobicContact CD1-CD2 4.33Å
393	Q	95.2	Very high	90.3	Very high	86 Å²	86	47.4 Å²	47.4	40%	0.402	27%	0.265	S	S	.	.			trans	-129.4	-176.3	172.2	63.6	-167.3	-13.9	0	0	108.9	S35 V374 T378 G395 G396	S35-Q393 WeakPolarHBondContact O-CG 3.49Å; S35-Q393 PolarHBondContact O-NE2 2.98Å; V374-Q393 WeakPolarHBondContact CB-O 3.21Å; T378-Q393 HydrophobicContact CG2-CB 4.1Å; Q393-G395 PolarHBondContact O-N 3.05Å; Q393-G396 WeakPolarHBondContact O-CA 3.49Å; Q393-G396 PolarHBondContact O-N 2.74Å
394	R	97.1	Very high	90.6	Very high	72 Å²	72	48.2 Å²	48.2	27%	0.272	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.8	132.7	172.2	178.1	170	-165.8	119.4	-14.2	111.3	E28 L32 S35 V374 V375 G377 G396	E28-R394 IonicContact OE1-CZ 2.87Å; E28-R394 VanDerWaalsContact OE1-CZ 3.31Å; E28-R394 IonicContact OE1-NE 2.65Å; E28-R394 PolarHBondContact OE1-NE 2.88Å; E28-R394 IonicContact OE1-NH2 2.8Å; E28-R394 PolarHBondContact OE1-NH2 3.23Å; E28-R394 IonicContact OE2-NH2 3.47Å; E28-R394 PolarHBondContact OE2-NH2 3.04Å; L32-R394 HydrophobicContact CD2-CG 3.83Å; S35-R394 CarbonylContact C-O 3.19Å; S35-R394 WeakPolarHBondContact CB-O 3.32Å; V374-R394 CarbonylContact O-C 3.54Å; V375-R394 WeakPolarHBondContact O-CD 3.38Å; V375-R394 VanDerWaalsContact O-CG 3.28Å; V375-R394 WeakPolarHBondContact O-CG 3.48Å; V375-R394 PolarHBondContact O-NE 2.66Å; V375-R394 PolarHBondContact O-NH1 3.49Å; G377-R394 PolarHBondContact O-N 3Å; R394-G396 PolarHBondContact O-N 3.4Å
395	G	97.7	Very high	91.4	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.021	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-6.8	-175.5	0	0	0	0	0	115	L32 S36 V374 Q393	L32-G395 WeakPolarHBondContact O-CA 3.27Å; S36-G395 VanDerWaalsContact CB-O 3.23Å; S36-G395 WeakPolarHBondContact CB-O 3.39Å; S36-G395 PolarHBondContact OG-O 3.24Å; V374-G395 PolarHBondContact O-N 2.78Å; Q393-G395 PolarHBondContact O-N 3.05Å
396	G	97.6	Very high	92.7	Very high	8 Å²	8	39.7 Å²	39.7	8%	0.082	22%	0.215	C	C	.	.			trans	-66.3	131.1	175.7	0	0	0	0	0	110.7	V374 Q393 R394	V374-G396 PolarHBondContact N-O 2.83Å; Q393-G396 WeakPolarHBondContact O-CA 3.49Å; Q393-G396 PolarHBondContact O-N 2.74Å; R394-G396 PolarHBondContact O-N 3.4Å
397	V	98.3	Very high	94	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134	-179.1	-174	0	0	0	0	109.4	P10 L11 M53 I371 L372 L373	P10-V397 CarbonylContact C-O 3.54Å; P10-V397 VanDerWaalsContact CA-O 3.28Å; P10-V397 WeakPolarHBondContact CA-O 3.26Å; L11-V397 HydrophobicContact CB-CB 4.23Å; L11-V397 HydrophobicContact CB-CG1 4.12Å; L11-V397 HydrophobicContact CD1-CG1 4.05Å; L11-V397 HydrophobicContact CG-CG1 4.49Å; L11-V397 PolarHBondContact N-O 3.03Å; M53-V397 HydrophobicContact CB-CG1 4.36Å; M53-V397 HydrophobicContact CG-CG1 4.13Å; M53-V397 HydrophobicContact CG-CG2 4.14Å; M53-V397 HydrophobicContact SD-CG1 4.07Å; M53-V397 HydrophobicContact SD-CG2 3.77Å; I371-V397 HydrophobicContact CG2-CG1 3.56Å; L372-V397 CarbonylContact O-C 3.55Å; L372-V397 VanDerWaalsContact O-CA 3.24Å; L372-V397 WeakPolarHBondContact O-CA 3.35Å; L373-V397 HydrophobicContact CD1-CG2 3.87Å
398	L	97.7	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.7	180	-164.4	75.2	0	0	0	110	V8 F9 I371 L372 I390 L392 I400 V406	V8-L398 HydrophobicContact CG1-CD1 3.97Å; V8-L398 HydrophobicContact CG1-CD2 3.53Å; V8-L398 HydrophobicContact CG1-CG 3.8Å; F9-L398 VanDerWaalsContact C-CD1 3.45Å; F9-L398 WeakPolarHBondContact O-CD1 3.37Å; I371-L398 WeakPolarHBondContact CA-O 3.29Å; L372-L398 HydrophobicContact CB-CB 4.3Å; L372-L398 PolarHBondContact N-O 3.18Å; L372-L398 PolarHBondContact O-N 3.12Å; I390-L398 HydrophobicContact CD1-CD1 4.08Å; I390-L398 HydrophobicContact CG2-CD1 4.17Å; L392-L398 HydrophobicContact CD1-CB 4.34Å; L392-L398 HydrophobicContact CD1-CD2 4.33Å; L398-I400 HydrophobicContact CD2-CD1 4.17Å; L398-I400 HydrophobicContact CD2-CG1 3.87Å; L398-I400 HydrophobicContact CG-CG1 4.17Å; L398-V406 HydrophobicContact CD2-CG1 4.22Å; L398-V406 HydrophobicContact CD2-CG2 4.24Å
399	F	98.2	Very high	96.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.7	161.6	178	-99.8	0	0	0	109	V8 F9 L11 L73 W76 I77 A369 I371	V8-F399 WeakPolarHBondContact CA-O 3.47Å; F9-F399 HydrophobicContact CD1-CD1 4.43Å; F9-F399 HydrophobicContact CD2-CB 4.09Å; F9-F399 AromaticContact CE1-CD1 3.66Å; F9-F399 HydrophobicContact CE1-CD1 3.66Å; F9-F399 HydrophobicContact CE1-CE1 4.21Å; F9-F399 HydrophobicContact CE2-CB 3.74Å; F9-F399 AromaticContact CE2-CD1 3.85Å; F9-F399 HydrophobicContact CE2-CD1 3.85Å; F9-F399 HydrophobicContact CE2-CG 4.03Å; F9-F399 HydrophobicContact CZ-CB 4.15Å; F9-F399 AromaticContact CZ-CD1 3.33Å; F9-F399 HydrophobicContact CZ-CD1 3.33Å; F9-F399 AromaticContact CZ-CE1 3.96Å; F9-F399 HydrophobicContact CZ-CE1 3.96Å; F9-F399 AromaticContact CZ-CG 3.96Å; F9-F399 HydrophobicContact CZ-CG 3.96Å; F9-F399 PolarHBondContact N-O 2.98Å; F9-F399 PolarHBondContact O-N 3.15Å; L11-F399 HydrophobicContact CD1-CB 4.11Å; L11-F399 HydrophobicContact CD2-CB 4.22Å; L11-F399 HydrophobicContact CG-CB 4.17Å; L73-F399 HydrophobicContact CD1-CB 4.32Å; L73-F399 HydrophobicContact CD1-CD1 4.36Å; L73-F399 HydrophobicContact CD1-CD2 3.66Å; L73-F399 HydrophobicContact CD1-CE2 3.98Å; L73-F399 HydrophobicContact CD1-CG 3.85Å; L73-F399 HydrophobicContact CD1-CZ 4.46Å; L73-F399 HydrophobicContact CD2-CD2 4.13Å; W76-F399 HydrophobicContact CE3-CE1 4.37Å; W76-F399 HydrophobicContact CH2-CE1 4.14Å; W76-F399 HydrophobicContact CZ3-CD1 4.42Å; W76-F399 AromaticContact CZ3-CE1 3.59Å; W76-F399 HydrophobicContact CZ3-CE1 3.59Å; W76-F399 HydrophobicContact CZ3-CZ 4.08Å; I77-F399 HydrophobicContact CD1-CE2 3.99Å; I77-F399 HydrophobicContact CD1-CZ 4.26Å; I77-F399 HydrophobicContact CG1-CZ 4.39Å; A369-F399 HydrophobicContact CB-CE2 3.85Å; A369-F399 HydrophobicContact CB-CZ 3.87Å; I371-F399 HydrophobicContact CG1-CD2 4.5Å
400	I	97.9	Very high	96.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	109.2	176.5	-53.9	169.8	0	0	0	107.4	V8 V363 A369 S370 L372 L398 E404 V406	V8-I400 HydrophobicContact CG1-CG1 4.36Å; V8-I400 HydrophobicContact CG2-CG2 4.15Å; V363-I400 HydrophobicContact CG1-CD1 4.41Å; A369-I400 CarbonylContact C-O 3.51Å; A369-I400 WeakPolarHBondContact CA-O 3.42Å; S370-I400 PolarHBondContact N-O 2.99Å; S370-I400 PolarHBondContact O-N 3.44Å; S370-I400 PolarHBondContact OG-O 3.14Å; L372-I400 HydrophobicContact CB-CD1 4.03Å; L372-I400 HydrophobicContact CD1-CD1 4.03Å; L398-I400 HydrophobicContact CD2-CD1 4.17Å; L398-I400 HydrophobicContact CD2-CG1 3.87Å; L398-I400 HydrophobicContact CG-CG1 4.17Å; I400-E404 HydrophobicContact CG2-CB 3.94Å; I400-V406 HydrophobicContact CD1-CG2 3.77Å; I400-V406 HydrophobicContact CG1-CG2 3.99Å; I400-V406 HydrophobicContact CG2-CG2 4.16Å
401	G	97.1	Very high	96.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	17%	0.173	C	C	.	.			trans	-64	159.3	174.5	0	0	0	0	0	112.5	R7 E404	R7-G401 PolarHBondContact O-N 3Å; G401-E404 WeakPolarHBondContact O-CB 3.48Å; G401-E404 PolarHBondContact O-N 2.88Å
402	A	97	Very high	96.4	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	142.3	177.5	0	0	0	0	0	111.7	S83 G85 E404	S83-A402 WeakPolarHBondContact O-CB 3.2Å; S83-A402 PolarHBondContact O-N 3.47Å; G85-A402 VanDerWaalsContact N-CB 3.28Å; A402-E404 PolarHBondContact O-N 3.32Å
403	N	95.6	Very high	96.3	Very high	105 Å²	105	36.5 Å²	36.5	56%	0.561	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	9.6	179.3	-57.2	-61.1	0	0	0	115.1	L366 D367	L366-N403 PolarHBondContact O-N 3.31Å; D367-N403 PolarHBondContact OD1-ND2 2.61Å
404	E	95.6	Very high	96.3	Very high	27 Å²	27	38.2 Å²	38.2	13%	0.126	20%	0.199	C	C	.	.			trans	-90.2	140.1	170.7	-63.1	-69.2	160	0	0	111.3	R7 V8 A365 T385 I400 G401 A402	R7-E404 HydrophobicContact CB-CG 3.78Å; V8-E404 HydrophobicContact CG2-CB 3.69Å; V8-E404 HydrophobicContact CG2-CG 3.9Å; A365-E404 VanDerWaalsContact CA-O 3.28Å; A365-E404 WeakPolarHBondContact CA-O 3.4Å; T385-E404 PolarHBondContact OG1-OE2 3.08Å; T385-E404 VanDerWaalsContact OG1-OE2 3.05Å; I400-E404 HydrophobicContact CG2-CB 3.94Å; G401-E404 WeakPolarHBondContact O-CB 3.48Å; G401-E404 PolarHBondContact O-N 2.88Å; A402-E404 PolarHBondContact O-N 3.32Å
405	S	95.3	Very high	96.3	Very high	20 Å²	20	39.1 Å²	39.1	14%	0.14	21%	0.21	C	C	.	.			trans	-113.7	150.2	170.2	62.7	0	0	0	0	110.4	V363 P384	V363-S405 WeakPolarHBondContact O-CA 3.39Å; V363-S405 WeakPolarHBondContact O-CB 3.14Å; P384-S405 WeakPolarHBondContact CD-O 3.32Å
406	V	96.6	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.3	-176.6	-172.7	0	0	0	0	109.4	V8 V363 A381 S382 T383 L398 I400 L408	V8-V406 HydrophobicContact CG1-CG2 4.03Å; V8-V406 HydrophobicContact CG2-CG2 4.44Å; V363-V406 HydrophobicContact CB-CB 4.27Å; V363-V406 PolarHBondContact N-O 2.81Å; V363-V406 PolarHBondContact O-N 3.15Å; A381-V406 HydrophobicContact CB-CG1 3.76Å; S382-V406 WeakPolarHBondContact O-CA 3.22Å; T383-V406 HydrophobicContact CG2-CG2 4.22Å; L398-V406 HydrophobicContact CD2-CG1 4.22Å; L398-V406 HydrophobicContact CD2-CG2 4.24Å; I400-V406 HydrophobicContact CD1-CG2 3.77Å; I400-V406 HydrophobicContact CG1-CG2 3.99Å; I400-V406 HydrophobicContact CG2-CG2 4.16Å; V406-L408 HydrophobicContact CG1-CD2 3.69Å; V406-L408 HydrophobicContact CG1-CG 4.48Å
407	S	96.8	Very high	96.4	Very high	27 Å²	27	40.3 Å²	40.3	19%	0.189	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.9	170.5	-53.5	0	0	0	0	108.7	A381 S382	A381-S407 CarbonylContact C-O 3.55Å; A381-S407 WeakPolarHBondContact CA-O 3.39Å; S382-S407 PolarHBondContact N-O 3.1Å; S382-S407 PolarHBondContact O-N 2.98Å
408	L	97.3	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	106.8	-178.6	-57.6	-176.9	0	0	0	108.5	E360 Y361 V363 V379 A381 V406 L416 I418	E360-L408 WeakPolarHBondContact CA-O 3.39Å; Y361-L408 HydrophobicContact CD1-CD1 4.38Å; Y361-L408 PolarHBondContact N-O 2.93Å; Y361-L408 WeakPolarHBondContact O-CB 3.47Å; Y361-L408 PolarHBondContact O-N 3.07Å; V363-L408 HydrophobicContact CG2-CD1 3.68Å; V363-L408 HydrophobicContact CG2-CG 4.1Å; V379-L408 HydrophobicContact CB-CB 4.24Å; V379-L408 HydrophobicContact CG1-CB 4.29Å; V379-L408 HydrophobicContact CG2-CB 4.4Å; V379-L408 HydrophobicContact CG2-CD2 4.11Å; A381-L408 HydrophobicContact CB-CD2 3.57Å; V406-L408 HydrophobicContact CG1-CD2 3.69Å; V406-L408 HydrophobicContact CG1-CG 4.48Å; L408-L416 HydrophobicContact CD1-CD2 4.44Å; L408-I418 HydrophobicContact CD1-CD1 3.36Å
409	K	97.1	Very high	96.5	Very high	127 Å²	127	40.2 Å²	40.2	55%	0.552	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89	119.4	173.8	-176.6	176.4	-179.4	176.8	0	109.6	V379 I380	V379-K409 CarbonylContact C-O 3.57Å; V379-K409 WeakPolarHBondContact CA-O 3.28Å; I380-K409 PolarHBondContact N-O 3.02Å; I380-K409 PolarHBondContact O-N 3.32Å
410	L	96.1	Very high	96.5	Very high	18 Å²	18	40.4 Å²	40.4	9%	0.094	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	135.2	175.2	-79.7	71	0	0	0	109.6	V358 T359 V379 K414 L416	V358-L410 WeakPolarHBondContact O-CD1 2.98Å; V358-L410 WeakPolarHBondContact O-CD2 3.48Å; T359-L410 PolarHBondContact O-N 2.78Å; V379-L410 HydrophobicContact CG1-CD1 4.1Å; V379-L410 HydrophobicContact CG1-CG 4.09Å; L410-K414 WeakPolarHBondContact CD2-O 3.35Å; L410-L416 HydrophobicContact CD1-CD2 3.98Å; L410-L416 HydrophobicContact CD2-CB 4.38Å
411	T	93.8	Very high	96.5	Very high	68 Å²	68	40.4 Å²	40.4	42%	0.417	21%	0.213	S	C	.	.	S	Bend	trans	-96.5	-17.7	179	56.5	0	0	0	0	112.7	T378 I380	T378-T411 VanDerWaalsContact CB-OG1 3.32Å; T378-T411 WeakPolarHBondContact CB-OG1 3.46Å; T378-T411 VanDerWaalsContact CG2-OG1 3.24Å; T378-T411 WeakPolarHBondContact CG2-OG1 3.4Å; T378-T411 PolarHBondContact O-N 3.46Å; T378-T411 PolarHBondContact O-OG1 3.35Å; I380-T411 HydrophobicContact CD1-CG2 3.7Å; I380-T411 HydrophobicContact CG1-CG2 3.63Å
412	E	92.4	Very high	96.6	Very high	79 Å²	79	40.4 Å²	40.4	37%	0.369	21%	0.213	S	C	.	.	S	Bend	trans	-134.4	150.1	178.8	-63.1	-177.3	-171.1	0	0	109.5	K414	E412-K414 HydrophobicContact CB-CG 4.42Å; E412-K414 PolarHBondContact O-N 2.96Å; E412-K414 WeakPolarHBondContact OE2-CD 3.41Å; E412-K414 VanDerWaalsContact OE2-CE 3.22Å; E412-K414 WeakPolarHBondContact OE2-CE 3.37Å; E412-K414 IonicContact OE2-NZ 3.27Å; E412-K414 PolarHBondContact OE2-NZ 3.4Å
413	P	91.9	Very high	96.6	Very high	119 Å²	119	40.3 Å²	40.3	77%	0.773	21%	0.212	S	C	*	.	S	Bend	trans	-78.7	55.7	176.8	35.2	-36.9	0	0	0	111.2
414	K	95.1	Very high	96.6	Very high	123 Å²	123	38.8 Å²	38.8	54%	0.535	20%	0.204	S	C	.	.	S	Bend	trans	-120.7	146	177.7	-69.6	179.9	-176.2	155.3	0	109.6	G356 L410 E412	G356-K414 WeakPolarHBondContact CA-O 3.17Å; L410-K414 WeakPolarHBondContact CD2-O 3.35Å; E412-K414 HydrophobicContact CB-CG 4.42Å; E412-K414 PolarHBondContact O-N 2.96Å; E412-K414 WeakPolarHBondContact OE2-CD 3.41Å; E412-K414 VanDerWaalsContact OE2-CE 3.22Å; E412-K414 WeakPolarHBondContact OE2-CE 3.37Å; E412-K414 IonicContact OE2-NZ 3.27Å; E412-K414 PolarHBondContact OE2-NZ 3.4Å
415	D	97.6	Very high	96.4	Very high	91 Å²	91	41.3 Å²	41.3	49%	0.487	22%	0.218	S	C	.	.			trans	-60.3	141.6	177.7	-60.9	-15.7	0	0	0	111.1	V354 P355 G356 Q376	V354-D415 WeakPolarHBondContact O-CA 3.28Å; P355-D415 WeakPolarHBondContact CA-OD1 3.37Å; G356-D415 PolarHBondContact N-OD1 3.46Å; Q376-D415 WeakPolarHBondContact CG-O 3.39Å; Q376-D415 PolarHBondContact NE2-O 3.25Å
416	L	98.2	Very high	96.5	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.2	-178	175.9	71.3	0	0	0	108.7	V354 V374 Q376 V379 L408 L410 I418	V354-L416 HydrophobicContact CB-CB 4.16Å; V354-L416 HydrophobicContact CB-CD2 4.3Å; V354-L416 HydrophobicContact CG2-CD2 4.48Å; V354-L416 PolarHBondContact N-O 3.4Å; V354-L416 PolarHBondContact O-N 3.45Å; V374-L416 HydrophobicContact CG1-CD1 4.19Å; Q376-L416 WeakPolarHBondContact O-CA 3.48Å; Q376-L416 VanDerWaalsContact O-CD1 3.29Å; Q376-L416 WeakPolarHBondContact O-CD1 3.42Å; V379-L416 HydrophobicContact CG1-CD1 3.61Å; V379-L416 HydrophobicContact CG1-CD2 3.79Å; V379-L416 HydrophobicContact CG1-CG 4.33Å; L408-L416 HydrophobicContact CD1-CD2 4.44Å; L410-L416 HydrophobicContact CD1-CD2 3.98Å; L410-L416 HydrophobicContact CD2-CB 4.38Å; L416-I418 HydrophobicContact CD1-CD1 3.73Å; L416-I418 HydrophobicContact CD1-CG1 3.85Å; L416-I418 HydrophobicContact CD2-CD1 3.58Å; L416-I418 HydrophobicContact CD2-CG1 4.36Å; L416-I418 HydrophobicContact CG-CD1 3.62Å; L416-I418 HydrophobicContact CG-CG1 3.85Å
417	L	98.6	Very high	96.5	Very high	32 Å²	32	44.6 Å²	44.6	17%	0.168	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119	173.3	176.8	63.3	0	0	0	108.9	K351 M352 E353 V375 Q376 F419	K351-L417 HydrophobicContact CG-CD1 4.13Å; M352-L417 WeakPolarHBondContact O-CA 3.36Å; E353-L417 HydrophobicContact CG-CD1 3.72Å; V375-L417 HydrophobicContact CB-CB 4.5Å; V375-L417 HydrophobicContact CB-CD2 4.11Å; V375-L417 HydrophobicContact CB-CG 4.15Å; V375-L417 HydrophobicContact CG1-CD2 3.98Å; V375-L417 PolarHBondContact N-O 2.91Å; Q376-L417 HydrophobicContact CB-CB 3.77Å; Q376-L417 PolarHBondContact N-O 3.41Å; Q376-L417 VanDerWaalsContact N-O 3.12Å; Q376-L417 PolarHBondContact O-N 3.48Å; L417-F419 HydrophobicContact CD1-CE2 3.98Å; L417-F419 HydrophobicContact CD1-CZ 4.44Å; L417-F419 HydrophobicContact CD2-CE2 4.15Å; L417-F419 HydrophobicContact CG-CE2 4Å
418	I	98.6	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143	-178	-64.4	172.7	0	0	0	109.8	M352 L372 L373 V374 L408 L416	M352-I418 HydrophobicContact CB-CB 4.43Å; M352-I418 HydrophobicContact CE-CB 4.07Å; M352-I418 HydrophobicContact CE-CG2 3.58Å; M352-I418 PolarHBondContact N-O 2.86Å; M352-I418 PolarHBondContact O-N 3.4Å; L372-I418 HydrophobicContact CD1-CG2 3.78Å; L372-I418 HydrophobicContact CD2-CD1 4.46Å; L372-I418 HydrophobicContact CD2-CG2 3.58Å; L372-I418 HydrophobicContact CG-CG2 3.38Å; L373-I418 WeakPolarHBondContact O-CA 3.17Å; L373-I418 WeakPolarHBondContact O-CG2 3.49Å; V374-I418 HydrophobicContact CG2-CG1 4.28Å; L408-I418 HydrophobicContact CD1-CD1 3.36Å; L416-I418 HydrophobicContact CD1-CD1 3.73Å; L416-I418 HydrophobicContact CD1-CG1 3.85Å; L416-I418 HydrophobicContact CD2-CD1 3.58Å; L416-I418 HydrophobicContact CD2-CG1 4.36Å; L416-I418 HydrophobicContact CG-CD1 3.62Å; L416-I418 HydrophobicContact CG-CG1 3.85Å
419	F	98.9	Very high	96.4	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.1	164.9	-68.8	-97.9	0	0	0	110.2	F100 I142 L144 V286 I349 M350 K351 L372 L373 V375 L417	F100-F419 HydrophobicContact CE1-CB 4.45Å; F100-F419 HydrophobicContact CZ-CB 3.72Å; I142-F419 HydrophobicContact CB-CE1 4.37Å; I142-F419 HydrophobicContact CD1-CD1 4.37Å; I142-F419 HydrophobicContact CD1-CE1 4.08Å; I142-F419 HydrophobicContact CG2-CE1 4.02Å; I142-F419 HydrophobicContact CG2-CZ 4.44Å; L144-F419 HydrophobicContact CD2-CE2 3.69Å; L144-F419 HydrophobicContact CD2-CZ 4.01Å; V286-F419 HydrophobicContact CB-CD1 4.44Å; V286-F419 HydrophobicContact CG1-CD1 4.22Å; V286-F419 HydrophobicContact CG1-CG 4.41Å; V286-F419 HydrophobicContact CG2-CD1 4.23Å; V286-F419 HydrophobicContact CG2-CD2 3.93Å; V286-F419 HydrophobicContact CG2-CE1 4.34Å; V286-F419 HydrophobicContact CG2-CE2 4.06Å; V286-F419 HydrophobicContact CG2-CG 4Å; V286-F419 HydrophobicContact CG2-CZ 4.26Å; I349-F419 HydrophobicContact CG2-CB 4.45Å; I349-F419 HydrophobicContact CG2-CD1 3.86Å; M350-F419 CarbonylContact O-C 3.42Å; M350-F419 VanDerWaalsContact O-CA 3.3Å; M350-F419 WeakPolarHBondContact O-CA 3.45Å; K351-F419 HydrophobicContact CB-CD1 4.03Å; K351-F419 HydrophobicContact CB-CE1 3.82Å; K351-F419 HydrophobicContact CB-CZ 4.48Å; K351-F419 HydrophobicContact CD-CE1 3.96Å; K351-F419 HydrophobicContact CD-CZ 3.97Å; K351-F419 HydrophobicContact CG-CD1 4.22Å; K351-F419 HydrophobicContact CG-CE1 3.68Å; K351-F419 HydrophobicContact CG-CE2 4.49Å; K351-F419 HydrophobicContact CG-CZ 3.84Å; L372-F419 CarbonylContact C-O 3.52Å; L372-F419 WeakPolarHBondContact CA-O 3.14Å; L373-F419 PolarHBondContact N-O 3.1Å; L373-F419 PolarHBondContact O-N 3.21Å; V375-F419 HydrophobicContact CG2-CD2 3.74Å; V375-F419 HydrophobicContact CG2-CE2 4.08Å; L417-F419 HydrophobicContact CD1-CE2 3.98Å; L417-F419 HydrophobicContact CD1-CZ 4.44Å; L417-F419 HydrophobicContact CD2-CE2 4.15Å; L417-F419 HydrophobicContact CG-CE2 4Å
420	R	98.8	Very high	96.4	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	114	175.5	176.9	-172	-173.3	-173.9	4.8	109.7	M350 M352 V363 L364 L366 S370 I371	M350-R420 HydrophobicContact CB-CB 4.2Å; M350-R420 PolarHBondContact N-O 3.05Å; M350-R420 PolarHBondContact O-N 3.07Å; M352-R420 HydrophobicContact CE-CB 3.71Å; V363-R420 VanDerWaalsContact CG1-NH1 3.3Å; L364-R420 PolarHBondContact O-NH1 2.89Å; L366-R420 VanDerWaalsContact CD1-CZ 3.43Å; S370-R420 VanDerWaalsContact CB-NE 3.34Å; S370-R420 PolarHBondContact OG-NE 2.88Å; S370-R420 PolarHBondContact OG-NH2 3.22Å; I371-R420 CarbonylContact O-C 3.21Å; I371-R420 VanDerWaalsContact O-CA 3.26Å; I371-R420 WeakPolarHBondContact O-CA 3.32Å
421	A	98.9	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	136.2	171.4	0	0	0	0	0	110.1	F98 F100 A348 S370 I371	F98-A421 HydrophobicContact CD2-CB 4.03Å; F98-A421 HydrophobicContact CE2-CB 3.55Å; F98-A421 HydrophobicContact CZ-CB 4.01Å; F98-A421 WeakPolarHBondContact CZ-O 3.42Å; F100-A421 HydrophobicContact CB-CB 3.85Å; F100-A421 HydrophobicContact CD1-CB 3.98Å; F100-A421 HydrophobicContact CD2-CB 3.56Å; F100-A421 HydrophobicContact CE1-CB 4.41Å; F100-A421 HydrophobicContact CE2-CB 4Å; F100-A421 HydrophobicContact CG-CB 3.55Å; F100-A421 HydrophobicContact CZ-CB 4.44Å; A348-A421 WeakPolarHBondContact O-CA 3.25Å; S370-A421 CarbonylContact C-O 3.56Å; S370-A421 WeakPolarHBondContact CA-O 3.39Å; S370-A421 WeakPolarHBondContact CB-O 3.48Å; I371-A421 PolarHBondContact N-O 2.75Å; I371-A421 PolarHBondContact O-N 3.27Å
422	C	98.6	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	175.2	-177.4	62.5	0	0	0	0	110.4	F347 A348 L366	F347-C422 CarbonylContact C-O 3.51Å; F347-C422 WeakPolarHBondContact CA-O 3.34Å; A348-C422 PolarHBondContact N-O 2.74Å; A348-C422 PolarHBondContact O-N 2.83Å; L366-C422 HydrophobicContact CD1-CB 3.79Å
423	C	97.9	Very high	96.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	22%	0.216	C	C	.	.			trans	-121.1	121.6	173.7	167.5	0	0	0	0	109.1	V88 P97 P345 S368 L425	V88-C423 HydrophobicContact CG1-CB 4.5Å; V88-C423 HydrophobicContact CG2-CB 4.12Å; P97-C423 HydrophobicContact CG-CB 3.82Å; P345-C423 PolarHBondContact O-SG 2.65Å; S368-C423 WeakPolarHBondContact CB-O 3.2Å; S368-C423 PolarHBondContact OG-N 2.8Å; S368-C423 PolarHBondContact OG-O 3.24Å; C423-L425 PolarHBondContact O-N 3.37Å
424	L	95.1	Very high	97.3	Very high	73 Å²	73	34.1 Å²	34.1	38%	0.382	17%	0.17	S	C	.	.			trans	-98.8	32.9	-167.5	-65.2	-179.9	0	0	0	115.1	I339 A348 M350 L366	I339-L424 HydrophobicContact CG2-CD1 4.43Å; A348-L424 HydrophobicContact CB-CD1 3.54Å; A348-L424 HydrophobicContact CB-CG 3.84Å; M350-L424 HydrophobicContact CE-CD1 4.37Å; M350-L424 HydrophobicContact CE-CD2 3.95Å; L366-L424 HydrophobicContact CD1-CD2 4.36Å; L366-L424 HydrophobicContact CD2-CD2 4.39Å
425	L	91.3	Very high	97.5	Very high	79 Å²	79	26 Å²	26	41%	0.414	14%	0.136	S	C	.	.			trans	-57.6	0	-178.2	-76.1	176	0	0	0	116	K87 V88 T91 F92 P345 C423	K87-L425 HydrophobicContact CB-CB 4.05Å; K87-L425 VanDerWaalsContact CD-C 3.46Å; K87-L425 HydrophobicContact CD-CB 4.26Å; K87-L425 WeakPolarHBondContact CD-O 3.35Å; K87-L425 WeakPolarHBondContact CD-OXT 3.43Å; K87-L425 PolarHBondContact NZ-O 2.96Å; K87-L425 PolarHBondContact NZ-OXT 3.05Å; V88-L425 HydrophobicContact CG2-CD1 4.48Å; T91-L425 HydrophobicContact CG2-CD1 3.81Å; F92-L425 HydrophobicContact CD2-CD1 4.17Å; F92-L425 HydrophobicContact CE2-CD1 3.62Å; P345-L425 HydrophobicContact CB-CD2 3.74Å; C423-L425 PolarHBondContact O-N 3.37Å

Retrieved 425 of 425 residues in 1389.2 ms (Link to these results)

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