A0A3Q0KFN3_SCHMA Loading...

Sugar phosphate phosphatase

Metal-dependent phosphatase that shows phosphatase activity against several substrates, including fructose-1-phosphate and fructose-6-phosphate. Its preference for fructose-1-phosphate, a strong glycating agent that causes DNA damage rather than a canonical yeast metabolite, suggests a damage-control function in hexose phosphate metabolism. Has also been shown to have O-methyltransferase activity that methylates glutamate residues of target proteins to form gamma-glutamyl methyl ester residues. Possibly methylates PCNA, suggesting it is involved in the DNA damage response.

AlphaFold DB , UniProt , Accession A0A3Q0KFN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 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	72.5	Confident	92.9	Very high	242 Å²	242	70.5 Å²	70.5	100%	1.192	35%	0.352	S	S	*	.				0	133	0	-178.6	178	-87.4	0	0	106.7
2	F	90.5	Very high	92.9	Very high	102 Å²	102	75.8 Å²	75.8	45%	0.447	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-73.5	149.9	-179.8	-62.3	-60.1	0	0	0	111.4	W391 N401	F2-W391 AromaticContact CD1-CH2 3.64Å; F2-W391 HydrophobicContact CD1-CH2 3.64Å; F2-W391 HydrophobicContact CD1-CZ3 4.22Å; F2-W391 HydrophobicContact CE1-CH2 4.28Å; F2-W391 HydrophobicContact CG-CH2 4.44Å; F2-N401 HydrophobicContact CD1-CB 4.37Å; F2-N401 HydrophobicContact CE1-CB 4.02Å
3	P	95.7	Very high	93.1	Very high	21 Å²	21	70.8 Å²	70.8	14%	0.136	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-59.3	154.7	169.8	23.6	-30.1	0	0	0	110.8	R389 Q390 W391	P3-R389 HydrophobicContact CG-CB 4.06Å; P3-R389 WeakPolarHBondContact O-CD 3.26Å; P3-R389 PolarHBondContact O-NH1 3.44Å; P3-Q390 HydrophobicContact CB-CB 4.39Å; P3-Q390 VanDerWaalsContact CB-O 3.3Å; P3-Q390 WeakPolarHBondContact CB-O 3.5Å; P3-W391 HydrophobicContact CG-CD2 3.68Å; P3-W391 HydrophobicContact CG-CE3 3.25Å; P3-W391 HydrophobicContact CG-CG 4.36Å; P3-W391 HydrophobicContact CG-CH2 4.22Å; P3-W391 HydrophobicContact CG-CZ3 3.57Å
4	P	96.3	Very high	93.2	Very high	73 Å²	73	65.7 Å²	65.7	47%	0.474	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-61.4	153.1	178.7	29.2	-37	0	0	0	110.8	R389 Q390	P4-R389 VanDerWaalsContact O-CA 3.31Å; P4-R389 WeakPolarHBondContact O-CA 3.35Å; P4-R389 WeakPolarHBondContact O-CB 3.39Å; P4-Q390 HydrophobicContact CG-CB 4.39Å; P4-Q390 HydrophobicContact CG-CG 4.42Å; P4-Q390 PolarHBondContact O-N 3.26Å
5	K	97	Very high	93.3	Very high	86 Å²	86	65.4 Å²	65.4	37%	0.374	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-62.1	150.4	169.9	-68.3	-173.3	177	-175.8	0	109.6	N10 P118 D388 R389	K5-N10 PolarHBondContact O-ND2 3.32Å; K5-N10 VanDerWaalsContact O-ND2 3.09Å; K5-P118 HydrophobicContact CB-CB 4.27Å; K5-P118 HydrophobicContact CD-CB 3.85Å; K5-P118 HydrophobicContact CD-CG 4.06Å; K5-D388 WeakPolarHBondContact CA-O 3.22Å; K5-R389 HydrophobicContact CG-CG 4.23Å
6	L	97.8	Very high	93.2	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.016	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-64.1	142.2	168.4	-64.5	174.8	0	0	0	109.1	N10 W119 D388 Q390 V448	L6-N10 WeakPolarHBondContact CA-OD1 3.45Å; L6-W119 HydrophobicContact CB-CB 4.05Å; L6-W119 WeakPolarHBondContact O-CB 3.42Å; L6-W119 PolarHBondContact O-N 2.92Å; L6-D388 PolarHBondContact N-O 2.84Å; L6-Q390 HydrophobicContact CD2-CB 4.45Å; L6-Q390 HydrophobicContact CD2-CG 3.46Å; L6-Q390 VanDerWaalsContact CD2-CG 3.46Å; L6-V448 HydrophobicContact CD1-CB 4.08Å
7	T	96	Very high	93.2	Very high	33 Å²	33	63.2 Å²	63.2	20%	0.202	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-142	169.6	177.6	71.3	0	0	0	0	108.2	H9 N10 S11	T7-H9 PolarHBondContact O-N 3.23Å; T7-H9 VanDerWaalsContact O-N 3.09Å; T7-H9 PolarHBondContact OG1-N 3.18Å; T7-N10 PolarHBondContact N-OD1 3.25Å; T7-N10 PolarHBondContact O-N 3.04Å; T7-N10 PolarHBondContact O-OD1 3.13Å; T7-N10 PolarHBondContact OG1-OD1 3.33Å; T7-S11 WeakPolarHBondContact O-CB 3.18Å; T7-S11 PolarHBondContact O-N 2.96Å; T7-S11 VanDerWaalsContact O-N 3.16Å
8	F	93.1	Very high	93.2	Very high	23 Å²	23	59.8 Å²	59.8	10%	0.101	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-30.4	172.5	175.4	-98.8	0	0	0	113.6	L15 I18 Q19 Y115	F8-L15 HydrophobicContact CD2-CD1 4.06Å; F8-L15 HydrophobicContact CE1-CD1 3.95Å; F8-L15 HydrophobicContact CE2-CD1 3.3Å; F8-L15 HydrophobicContact CE2-CG 4.47Å; F8-L15 HydrophobicContact CZ-CD1 3.23Å; F8-I18 HydrophobicContact CB-CD1 4.11Å; F8-I18 HydrophobicContact CD2-CB 3.97Å; F8-I18 HydrophobicContact CD2-CD1 3.52Å; F8-I18 HydrophobicContact CD2-CG1 4.28Å; F8-I18 HydrophobicContact CD2-CG2 4.04Å; F8-I18 HydrophobicContact CE2-CB 3.99Å; F8-I18 HydrophobicContact CE2-CD1 4.36Å; F8-I18 HydrophobicContact CE2-CG2 3.79Å; F8-I18 HydrophobicContact CG-CD1 4.21Å; F8-Q19 HydrophobicContact CE2-CG 4.22Å; F8-Q19 HydrophobicContact CZ-CG 4.49Å; F8-Y115 AromaticContact CD1-CD2 3.95Å; F8-Y115 HydrophobicContact CD1-CD2 3.95Å; F8-Y115 HydrophobicContact CD1-CG 4.04Å; F8-Y115 HydrophobicContact CD2-CD1 4.5Å; F8-Y115 HydrophobicContact CD2-CG 4.4Å; F8-Y115 AromaticContact CE1-CD2 3.7Å; F8-Y115 HydrophobicContact CE1-CD2 3.7Å; F8-Y115 HydrophobicContact CE1-CE2 4.15Å; F8-Y115 HydrophobicContact CE1-CG 4.24Å; F8-Y115 HydrophobicContact CE2-CD2 4.31Å; F8-Y115 HydrophobicContact CE2-CE2 4.25Å; F8-Y115 HydrophobicContact CG-CD2 4.38Å; F8-Y115 HydrophobicContact CG-CG 4.11Å; F8-Y115 AromaticContact CZ-CD2 3.87Å; F8-Y115 HydrophobicContact CZ-CD2 3.87Å; F8-Y115 AromaticContact CZ-CE2 3.86Å; F8-Y115 HydrophobicContact CZ-CE2 3.86Å; F8-Y115 HydrophobicContact CZ-CG 4.46Å
9	H	92.8	Very high	93.1	Very high	142 Å²	142	62.3 Å²	62.3	66%	0.657	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-18.6	-174.1	-62.8	-62.6	0	0	0	114.7	T7	T7-H9 PolarHBondContact O-N 3.23Å; T7-H9 VanDerWaalsContact O-N 3.09Å; T7-H9 PolarHBondContact OG1-N 3.18Å
10	N	95.1	Very high	93	Very high	47 Å²	47	65.2 Å²	65.2	25%	0.251	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	4.1	-171.6	77.1	-1	0	0	0	113.8	K5 L6 T7 Q390	K5-N10 PolarHBondContact O-ND2 3.32Å; K5-N10 VanDerWaalsContact O-ND2 3.09Å; L6-N10 WeakPolarHBondContact CA-OD1 3.45Å; T7-N10 PolarHBondContact N-OD1 3.25Å; T7-N10 PolarHBondContact O-N 3.04Å; T7-N10 PolarHBondContact O-OD1 3.13Å; T7-N10 PolarHBondContact OG1-OD1 3.33Å; N10-Q390 VanDerWaalsContact ND2-CD 3.31Å; N10-Q390 PolarHBondContact ND2-OE1 3.1Å; N10-Q390 PolarHBondContact O-NE2 2.93Å
11	S	95.8	Very high	93	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.021	31%	0.311	C	S	.	.			trans	-125.1	118.3	177.2	167.8	0	0	0	0	109.5	T7 F13 A14 L15 D447	T7-S11 WeakPolarHBondContact O-CB 3.18Å; T7-S11 PolarHBondContact O-N 2.96Å; T7-S11 VanDerWaalsContact O-N 3.16Å; S11-F13 VanDerWaalsContact C-N 3.26Å; S11-A14 PolarHBondContact O-N 3.43Å; S11-A14 WeakPolarHBondContact OG-CB 3.31Å; S11-A14 PolarHBondContact OG-N 2.88Å; S11-L15 WeakPolarHBondContact O-CB 3.27Å; S11-L15 PolarHBondContact O-N 3Å; S11-D447 WeakPolarHBondContact CA-OD2 3.47Å; S11-D447 WeakPolarHBondContact CB-OD2 3.45Å; S11-D447 PolarHBondContact OG-OD1 2.84Å; S11-D447 PolarHBondContact OG-OD2 3.39Å
12	E	92.9	Very high	94.1	Very high	135 Å²	135	52.9 Å²	52.9	63%	0.631	25%	0.254	S	S	*	.	H	α-helix	trans	-67.6	-34.2	175.9	-176.1	171.5	-164.8	0	0	110.4	L15 K16 D447	E12-L15 PolarHBondContact O-N 3.36Å; E12-K16 WeakPolarHBondContact O-CB 3.37Å; E12-K16 PolarHBondContact O-N 3.26Å; E12-D447 PolarHBondContact N-OD2 3.42Å; E12-D447 VanDerWaalsContact N-OD2 3.09Å
13	F	94.4	Very high	94.2	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.044	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-48	172.9	172.3	-109.7	0	0	0	112	S11 T17 W119 K445 D447 T469	S11-F13 VanDerWaalsContact C-N 3.26Å; F13-T17 VanDerWaalsContact O-CB 3.25Å; F13-T17 WeakPolarHBondContact O-CB 3.38Å; F13-T17 PolarHBondContact O-N 3.18Å; F13-T17 PolarHBondContact O-OG1 3.23Å; F13-W119 HydrophobicContact CD1-CZ2 4.44Å; F13-W119 AromaticContact CD1-NE1 3.39Å; F13-W119 AromaticContact CE1-CE2 4Å; F13-W119 HydrophobicContact CE1-CZ2 4.05Å; F13-W119 AromaticContact CE1-NE1 3.32Å; F13-W119 VanDerWaalsContact CE1-NE1 3.32Å; F13-K445 WeakPolarHBondContact CD2-O 3.23Å; F13-K445 WeakPolarHBondContact CE2-O 3.41Å; F13-K445 WeakPolarHBondContact CZ-O 3.35Å; F13-D447 HydrophobicContact CB-CB 4.2Å; F13-D447 WeakPolarHBondContact CB-OD1 3.47Å; F13-D447 PolarHBondContact N-OD2 2.89Å; F13-T469 HydrophobicContact CB-CG2 4.04Å; F13-T469 HydrophobicContact CD2-CG2 4.34Å; F13-T469 HydrophobicContact CG-CG2 4.49Å
14	A	95.5	Very high	94.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-45.5	178.2	0	0	0	0	0	111.4	S11 T17 I18 W119	S11-A14 PolarHBondContact O-N 3.43Å; S11-A14 WeakPolarHBondContact OG-CB 3.31Å; S11-A14 PolarHBondContact OG-N 2.88Å; A14-T17 PolarHBondContact O-N 2.89Å; A14-I18 PolarHBondContact O-N 2.94Å; A14-W119 HydrophobicContact CB-CB 4.2Å; A14-W119 HydrophobicContact CB-CD2 3.34Å; A14-W119 HydrophobicContact CB-CE3 3.68Å; A14-W119 HydrophobicContact CB-CG 3.56Å; A14-W119 HydrophobicContact CB-CZ2 4.28Å; A14-W119 HydrophobicContact CB-CZ3 4.28Å
15	L	93.8	Very high	94.1	Very high	61 Å²	61	50.6 Å²	50.6	32%	0.319	23%	0.233	S	C	.	.	H	α-helix	trans	-55.4	-55.4	177.7	178.7	62.5	0	0	0	111.4	F8 S11 E12 T17 I18 Q19	F8-L15 HydrophobicContact CD2-CD1 4.06Å; F8-L15 HydrophobicContact CE1-CD1 3.95Å; F8-L15 HydrophobicContact CE2-CD1 3.3Å; F8-L15 HydrophobicContact CE2-CG 4.47Å; F8-L15 HydrophobicContact CZ-CD1 3.23Å; S11-L15 WeakPolarHBondContact O-CB 3.27Å; S11-L15 PolarHBondContact O-N 3Å; E12-L15 PolarHBondContact O-N 3.36Å; L15-T17 VanDerWaalsContact C-N 3.28Å; L15-T17 PolarHBondContact O-N 3.4Å; L15-I18 PolarHBondContact O-N 2.96Å; L15-Q19 VanDerWaalsContact CD1-CD 3.45Å; L15-Q19 HydrophobicContact CD1-CG 4.18Å; L15-Q19 WeakPolarHBondContact O-CB 3.44Å; L15-Q19 WeakPolarHBondContact O-CG 3.4Å; L15-Q19 PolarHBondContact O-N 3.49Å
16	K	92.5	Very high	94.1	Very high	93 Å²	93	46.6 Å²	46.6	40%	0.404	22%	0.215	S	C	.	.	H	α-helix	trans	-61.4	-37.9	178.8	-171.9	174	-172.8	170.5	0	112	E12 E20 R21	E12-K16 WeakPolarHBondContact O-CB 3.37Å; E12-K16 PolarHBondContact O-N 3.26Å; K16-E20 WeakPolarHBondContact O-CB 3.25Å; K16-E20 PolarHBondContact O-N 3.04Å; K16-R21 PolarHBondContact O-N 3.4Å
17	T	93.6	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-67.4	-46.5	-179.4	-60.6	0	0	0	0	111.5	F13 A14 L15 R21 W22 W119	F13-T17 VanDerWaalsContact O-CB 3.25Å; F13-T17 WeakPolarHBondContact O-CB 3.38Å; F13-T17 PolarHBondContact O-N 3.18Å; F13-T17 PolarHBondContact O-OG1 3.23Å; A14-T17 PolarHBondContact O-N 2.89Å; L15-T17 VanDerWaalsContact C-N 3.28Å; L15-T17 PolarHBondContact O-N 3.4Å; T17-R21 HydrophobicContact CG2-CB 4.07Å; T17-R21 CarbonylContact O-C 3.59Å; T17-R21 WeakPolarHBondContact O-CA 3.24Å; T17-R21 WeakPolarHBondContact O-CB 3.17Å; T17-R21 PolarHBondContact O-N 3.31Å; T17-R21 VanDerWaalsContact O-N 3.1Å; T17-W22 HydrophobicContact CG2-CG 4.28Å; T17-W22 VanDerWaalsContact CG2-NE1 3.33Å; T17-W22 PolarHBondContact O-N 3.3Å; T17-W119 HydrophobicContact CG2-CH2 3.5Å; T17-W119 HydrophobicContact CG2-CZ2 3.66Å
18	I	92.8	Very high	93.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	23%	0.226	C	C	.	.	I	π-helix	trans	-66.3	-43.1	178.5	-76.7	170.2	0	0	0	111.7	F8 A14 L15 W22 P23 Y115 W119	F8-I18 HydrophobicContact CB-CD1 4.11Å; F8-I18 HydrophobicContact CD2-CB 3.97Å; F8-I18 HydrophobicContact CD2-CD1 3.52Å; F8-I18 HydrophobicContact CD2-CG1 4.28Å; F8-I18 HydrophobicContact CD2-CG2 4.04Å; F8-I18 HydrophobicContact CE2-CB 3.99Å; F8-I18 HydrophobicContact CE2-CD1 4.36Å; F8-I18 HydrophobicContact CE2-CG2 3.79Å; F8-I18 HydrophobicContact CG-CD1 4.21Å; A14-I18 PolarHBondContact O-N 2.94Å; L15-I18 PolarHBondContact O-N 2.96Å; I18-W22 HydrophobicContact CB-CE3 4.46Å; I18-W22 HydrophobicContact CD1-CH2 4.35Å; I18-W22 HydrophobicContact CD1-CZ3 4.24Å; I18-W22 HydrophobicContact CG1-CD2 4.26Å; I18-W22 HydrophobicContact CG1-CE3 3.76Å; I18-W22 HydrophobicContact CG1-CH2 3.95Å; I18-W22 HydrophobicContact CG1-CZ2 4.37Å; I18-W22 HydrophobicContact CG1-CZ3 3.63Å; I18-P23 VanDerWaalsContact O-CD 3.26Å; I18-P23 WeakPolarHBondContact O-CD 3.34Å; I18-Y115 HydrophobicContact CD1-CD1 4.32Å; I18-Y115 HydrophobicContact CG2-CD1 4Å; I18-Y115 HydrophobicContact CG2-CE1 3.29Å; I18-W119 HydrophobicContact CD1-CE3 3.9Å; I18-W119 HydrophobicContact CD1-CH2 4.39Å; I18-W119 HydrophobicContact CD1-CZ3 3.42Å; I18-W119 VanDerWaalsContact CD1-CZ3 3.42Å; I18-W119 HydrophobicContact CG1-CE3 4.39Å; I18-W119 HydrophobicContact CG1-CH2 3.98Å; I18-W119 HydrophobicContact CG1-CZ3 3.45Å; I18-W119 VanDerWaalsContact CG1-CZ3 3.45Å
19	Q	90.9	Very high	93.9	Very high	108 Å²	108	47.8 Å²	47.8	51%	0.505	22%	0.223	S	C	.	.	I	π-helix	trans	-77.5	-35.5	-173.4	-71	-178.2	-24.1	0	0	113.3	F8 L15	F8-Q19 HydrophobicContact CE2-CG 4.22Å; F8-Q19 HydrophobicContact CZ-CG 4.49Å; L15-Q19 VanDerWaalsContact CD1-CD 3.45Å; L15-Q19 HydrophobicContact CD1-CG 4.18Å; L15-Q19 WeakPolarHBondContact O-CB 3.44Å; L15-Q19 WeakPolarHBondContact O-CG 3.4Å; L15-Q19 PolarHBondContact O-N 3.49Å
20	E	91.9	Very high	94	Very high	119 Å²	119	42 Å²	42	56%	0.556	20%	0.197	S	C	*	.	I	π-helix	trans	-118.8	-50.8	-170.9	-57.5	177.7	-176.2	0	0	112.2	K16 R24	K16-E20 WeakPolarHBondContact O-CB 3.25Å; K16-E20 PolarHBondContact O-N 3.04Å; E20-R24 WeakPolarHBondContact O-CB 3.38Å; E20-R24 PolarHBondContact O-N 3.29Å
21	R	92.3	Very high	94	Very high	49 Å²	49	43.6 Å²	43.6	19%	0.185	21%	0.205	C	C	.	.	I	π-helix	trans	-73.6	-49.7	-168.4	-163	-175.3	-59	178.3	0.6	112.5	K16 T17 R24 I25 L196	K16-R21 PolarHBondContact O-N 3.4Å; T17-R21 HydrophobicContact CG2-CB 4.07Å; T17-R21 CarbonylContact O-C 3.59Å; T17-R21 WeakPolarHBondContact O-CA 3.24Å; T17-R21 WeakPolarHBondContact O-CB 3.17Å; T17-R21 PolarHBondContact O-N 3.31Å; T17-R21 VanDerWaalsContact O-N 3.1Å; R21-R24 PolarHBondContact O-N 3.23Å; R21-I25 HydrophobicContact CG-CD1 3.81Å; R21-I25 HydrophobicContact CG-CG1 4.35Å; R21-I25 WeakPolarHBondContact O-CB 3.32Å; R21-I25 VanDerWaalsContact O-CG1 3.31Å; R21-I25 WeakPolarHBondContact O-CG1 3.17Å; R21-I25 PolarHBondContact O-N 3.16Å; R21-L196 VanDerWaalsContact NH1-CD2 3.32Å; R21-L196 VanDerWaalsContact NH2-CD2 3.34Å
22	W	94.6	Very high	93.8	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-47.8	179.1	-73.9	-1.2	0	0	0	112.2	T17 I18 R24 I25 L26 I66 W114 W119 A122 E123 L126	T17-W22 HydrophobicContact CG2-CG 4.28Å; T17-W22 VanDerWaalsContact CG2-NE1 3.33Å; T17-W22 PolarHBondContact O-N 3.3Å; I18-W22 HydrophobicContact CB-CE3 4.46Å; I18-W22 HydrophobicContact CD1-CH2 4.35Å; I18-W22 HydrophobicContact CD1-CZ3 4.24Å; I18-W22 HydrophobicContact CG1-CD2 4.26Å; I18-W22 HydrophobicContact CG1-CE3 3.76Å; I18-W22 HydrophobicContact CG1-CH2 3.95Å; I18-W22 HydrophobicContact CG1-CZ2 4.37Å; I18-W22 HydrophobicContact CG1-CZ3 3.63Å; W22-R24 VanDerWaalsContact C-N 3.29Å; W22-R24 PolarHBondContact O-N 3.08Å; W22-I25 PolarHBondContact O-N 3.37Å; W22-L26 WeakPolarHBondContact O-CG 3.34Å; W22-L26 PolarHBondContact O-N 2.92Å; W22-I66 HydrophobicContact CE3-CD1 4.43Å; W22-I66 HydrophobicContact CE3-CG2 3.7Å; W22-I66 HydrophobicContact CZ3-CG2 4.29Å; W22-W114 AromaticContact CZ3-CE3 3.96Å; W22-W114 HydrophobicContact CZ3-CE3 3.96Å; W22-W114 HydrophobicContact CZ3-CZ3 4.12Å; W22-W119 AromaticContact CE2-CH2 3.66Å; W22-W119 HydrophobicContact CH2-CE3 4.45Å; W22-W119 AromaticContact CH2-CH2 3.92Å; W22-W119 HydrophobicContact CH2-CH2 3.92Å; W22-W119 AromaticContact CH2-CZ3 3.45Å; W22-W119 HydrophobicContact CH2-CZ3 3.45Å; W22-W119 VanDerWaalsContact CH2-CZ3 3.45Å; W22-W119 HydrophobicContact CZ2-CE3 4.4Å; W22-W119 AromaticContact CZ2-CH2 3.21Å; W22-W119 HydrophobicContact CZ2-CH2 3.21Å; W22-W119 HydrophobicContact CZ2-CZ2 4.32Å; W22-W119 AromaticContact CZ2-CZ3 3.25Å; W22-W119 HydrophobicContact CZ2-CZ3 3.25Å; W22-W119 HydrophobicContact CZ3-CZ3 4.35Å; W22-A122 HydrophobicContact CH2-CB 4.15Å; W22-E123 HydrophobicContact CH2-CB 4.44Å; W22-E123 VanDerWaalsContact CZ2-CA 3.45Å; W22-E123 HydrophobicContact CZ2-CB 3.72Å; W22-E123 HydrophobicContact CZ2-CG 3.81Å; W22-L126 HydrophobicContact CB-CD2 4.21Å; W22-L126 HydrophobicContact CD2-CD2 3.35Å; W22-L126 VanDerWaalsContact CE2-CD2 3.46Å; W22-L126 HydrophobicContact CE3-CD2 3.85Å; W22-L126 HydrophobicContact CG-CD2 3.51Å; W22-L126 HydrophobicContact CH2-CB 4.4Å; W22-L126 HydrophobicContact CH2-CD2 4.48Å; W22-L126 HydrophobicContact CZ2-CB 4.43Å; W22-L126 HydrophobicContact CZ2-CD2 4.09Å; W22-L126 HydrophobicContact CZ3-CD2 4.36Å
23	P	94.5	Very high	93.9	Very high	15 Å²	15	38.4 Å²	38.4	10%	0.097	18%	0.184	C	C	.	.	H	α-helix	trans	-57.7	-39.8	174.8	-28.2	37	0	0	0	113.4	I18 S27 R63 M67	I18-P23 VanDerWaalsContact O-CD 3.26Å; I18-P23 WeakPolarHBondContact O-CD 3.34Å; P23-S27 WeakPolarHBondContact O-CB 3.32Å; P23-S27 PolarHBondContact O-N 3.35Å; P23-S27 PolarHBondContact O-OG 3.47Å; P23-R63 HydrophobicContact CB-CG 4.46Å; P23-M67 HydrophobicContact CB-CG 4.29Å; P23-M67 HydrophobicContact CB-SD 4.02Å; P23-M67 HydrophobicContact CG-CG 3.77Å; P23-M67 HydrophobicContact CG-SD 4.15Å
24	R	93.5	Very high	93.7	Very high	126 Å²	126	44.7 Å²	44.7	48%	0.475	21%	0.208	S	C	.	.	H	α-helix	trans	-65.7	-47.8	175.6	-173.8	176.1	179.7	173.1	0.1	111.6	E20 R21 W22 L26 S27 Q28 P198 D199	E20-R24 WeakPolarHBondContact O-CB 3.38Å; E20-R24 PolarHBondContact O-N 3.29Å; R21-R24 PolarHBondContact O-N 3.23Å; W22-R24 VanDerWaalsContact C-N 3.29Å; W22-R24 PolarHBondContact O-N 3.08Å; R24-L26 PolarHBondContact O-N 3.5Å; R24-S27 PolarHBondContact O-N 2.82Å; R24-Q28 HydrophobicContact CG-CG 4.45Å; R24-Q28 WeakPolarHBondContact O-CB 3.35Å; R24-Q28 WeakPolarHBondContact O-CG 3.4Å; R24-Q28 PolarHBondContact O-N 3.1Å; R24-P198 VanDerWaalsContact NH2-CG 3.31Å; R24-D199 IonicContact NH2-OD2 2.84Å; R24-D199 PolarHBondContact NH2-OD2 2.82Å
25	I	94.8	Very high	93.4	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.036	24%	0.242	C	C	.	.	H	α-helix	trans	-57.2	-48.9	178.2	-72.9	170.6	0	0	0	110.6	R21 W22 S27 Q28 L29 F145 V292	R21-I25 HydrophobicContact CG-CD1 3.81Å; R21-I25 HydrophobicContact CG-CG1 4.35Å; R21-I25 WeakPolarHBondContact O-CB 3.32Å; R21-I25 VanDerWaalsContact O-CG1 3.31Å; R21-I25 WeakPolarHBondContact O-CG1 3.17Å; R21-I25 PolarHBondContact O-N 3.16Å; W22-I25 PolarHBondContact O-N 3.37Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 2.87Å; I25-Q28 PolarHBondContact O-N 3.33Å; I25-L29 WeakPolarHBondContact O-CB 3.42Å; I25-L29 PolarHBondContact O-N 2.91Å; I25-F145 HydrophobicContact CG2-CE1 4.19Å; I25-F145 HydrophobicContact CG2-CZ 4.5Å; I25-V292 HydrophobicContact CD1-CG2 4.19Å; I25-V292 HydrophobicContact CG2-CG2 4.32Å
26	L	96.7	Very high	93.2	Very high	1 Å²	1	53 Å²	53	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-37.1	-179.3	-64.1	175.1	0	0	0	112	W22 R24 L29 I30 I59 L62 R63 I66 L126 I130	W22-L26 WeakPolarHBondContact O-CG 3.34Å; W22-L26 PolarHBondContact O-N 2.92Å; R24-L26 PolarHBondContact O-N 3.5Å; L26-L29 WeakPolarHBondContact O-CB 3.33Å; L26-L29 PolarHBondContact O-N 3.49Å; L26-I30 WeakPolarHBondContact O-CD1 3.11Å; L26-I30 VanDerWaalsContact O-CG1 3.3Å; L26-I30 WeakPolarHBondContact O-CG1 3.24Å; L26-I30 PolarHBondContact O-N 3.13Å; L26-I59 HydrophobicContact CB-CG2 4.15Å; L26-I59 HydrophobicContact CD2-CG2 4Å; L26-L62 HydrophobicContact CD1-CG 4.45Å; L26-L62 HydrophobicContact CD2-CD2 4.43Å; L26-R63 HydrophobicContact CB-CB 4.21Å; L26-R63 HydrophobicContact CB-CG 4.27Å; L26-R63 HydrophobicContact CD1-CB 3.86Å; L26-R63 HydrophobicContact CD1-CG 4.18Å; L26-I66 HydrophobicContact CD1-CD1 3.68Å; L26-L126 HydrophobicContact CD1-CD1 4.5Å; L26-L126 HydrophobicContact CD2-CD1 4.45Å; L26-I130 HydrophobicContact CD2-CD1 3.8Å; L26-I130 HydrophobicContact CD2-CG1 4.33Å
27	S	94.9	Very high	92.9	Very high	33 Å²	33	52 Å²	52	23%	0.231	23%	0.232	C	C	.	.	H	α-helix	trans	-67.1	-43.3	176.2	-56.5	0	0	0	0	111.8	P23 R24 I25 L29 I30 D31 R63	P23-S27 WeakPolarHBondContact O-CB 3.32Å; P23-S27 PolarHBondContact O-N 3.35Å; P23-S27 PolarHBondContact O-OG 3.47Å; R24-S27 PolarHBondContact O-N 2.82Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 2.87Å; S27-L29 VanDerWaalsContact C-N 3.29Å; S27-L29 PolarHBondContact O-N 2.95Å; S27-I30 WeakPolarHBondContact O-CB 3.34Å; S27-I30 PolarHBondContact O-N 3.22Å; S27-D31 PolarHBondContact O-N 2.9Å; S27-R63 WeakPolarHBondContact OG-CD 3.43Å; S27-R63 PolarHBondContact OG-NH1 3.38Å
28	Q	93.2	Very high	92.3	Very high	46 Å²	46	58.4 Å²	58.4	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-34.4	174.4	-71.7	-175.6	-28.7	0	0	112.5	R24 I25 D31 S32	R24-Q28 HydrophobicContact CG-CG 4.45Å; R24-Q28 WeakPolarHBondContact O-CB 3.35Å; R24-Q28 WeakPolarHBondContact O-CG 3.4Å; R24-Q28 PolarHBondContact O-N 3.1Å; I25-Q28 PolarHBondContact O-N 3.33Å; Q28-D31 PolarHBondContact O-N 2.89Å; Q28-S32 WeakPolarHBondContact O-CB 3.3Å; Q28-S32 PolarHBondContact O-N 3.01Å
29	L	95	Very high	91.7	Very high	6 Å²	6	62 Å²	62	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-47	175.4	-168.9	60.6	0	0	0	111.2	I25 L26 S27 S32 I33 I59 I130 P144 F145	I25-L29 WeakPolarHBondContact O-CB 3.42Å; I25-L29 PolarHBondContact O-N 2.91Å; L26-L29 WeakPolarHBondContact O-CB 3.33Å; L26-L29 PolarHBondContact O-N 3.49Å; S27-L29 VanDerWaalsContact C-N 3.29Å; S27-L29 PolarHBondContact O-N 2.95Å; L29-S32 PolarHBondContact O-N 2.93Å; L29-I33 HydrophobicContact CD1-CD1 4.42Å; L29-I33 HydrophobicContact CG-CD1 4.08Å; L29-I33 VanDerWaalsContact O-CG1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.33Å; L29-I33 PolarHBondContact O-N 3.16Å; L29-I59 HydrophobicContact CD2-CD1 3.83Å; L29-I59 HydrophobicContact CD2-CG2 4.47Å; L29-I59 HydrophobicContact CG-CD1 4.2Å; L29-I130 HydrophobicContact CD2-CD1 4.4Å; L29-I130 HydrophobicContact CD2-CG2 4.22Å; L29-P144 HydrophobicContact CD1-CB 3.69Å; L29-P144 HydrophobicContact CD1-CG 4.32Å; L29-P144 VanDerWaalsContact CD1-O 3.28Å; L29-P144 WeakPolarHBondContact CD1-O 3.41Å; L29-P144 HydrophobicContact CD2-CB 4.42Å; L29-P144 HydrophobicContact CG-CB 4.33Å; L29-F145 HydrophobicContact CB-CE1 4.41Å; L29-F145 HydrophobicContact CD1-CD1 3.61Å; L29-F145 HydrophobicContact CD1-CE1 3.44Å; L29-F145 VanDerWaalsContact CD1-CE1 3.44Å; L29-F145 HydrophobicContact CD1-CE2 4.46Å; L29-F145 HydrophobicContact CD1-CG 4.22Å; L29-F145 HydrophobicContact CD1-CZ 3.91Å; L29-F145 HydrophobicContact CD2-CE1 3.93Å; L29-F145 HydrophobicContact CD2-CE2 4.31Å; L29-F145 HydrophobicContact CD2-CZ 3.64Å; L29-F145 HydrophobicContact CG-CE1 4.13Å; L29-F145 HydrophobicContact CG-CZ 4.34Å
30	I	95.9	Very high	91.1	Very high	21 Å²	21	59.1 Å²	59.1	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-55.3	-51.9	173.2	-73.8	161.7	0	0	0	110.5	L26 S27 S32 I33 Y34 T56 I59 C60	L26-I30 WeakPolarHBondContact O-CD1 3.11Å; L26-I30 VanDerWaalsContact O-CG1 3.3Å; L26-I30 WeakPolarHBondContact O-CG1 3.24Å; L26-I30 PolarHBondContact O-N 3.13Å; S27-I30 WeakPolarHBondContact O-CB 3.34Å; S27-I30 PolarHBondContact O-N 3.22Å; I30-S32 VanDerWaalsContact C-N 3.34Å; I30-S32 PolarHBondContact O-N 3.47Å; I30-I33 PolarHBondContact O-N 2.99Å; I30-Y34 WeakPolarHBondContact O-CB 3.46Å; I30-Y34 PolarHBondContact O-N 3.29Å; I30-T56 HydrophobicContact CB-CG2 4.13Å; I30-T56 HydrophobicContact CG1-CG2 4.08Å; I30-T56 HydrophobicContact CG2-CG2 3.52Å; I30-I59 HydrophobicContact CD1-CB 4.4Å; I30-I59 HydrophobicContact CD1-CG2 3.91Å; I30-I59 HydrophobicContact CG1-CB 4.04Å; I30-I59 HydrophobicContact CG1-CG2 3.69Å; I30-C60 HydrophobicContact CD1-CB 3.98Å
31	D	94.2	Very high	90.1	Very high	80 Å²	80	54.7 Å²	54.7	43%	0.428	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-41.4	-178.5	-71.8	-16.5	0	0	0	111.9	S27 Q28 Y34 R35	S27-D31 PolarHBondContact O-N 2.9Å; Q28-D31 PolarHBondContact O-N 2.89Å; D31-Y34 PolarHBondContact O-N 3.43Å; D31-R35 WeakPolarHBondContact O-CB 3.3Å; D31-R35 VanDerWaalsContact O-CG 3.26Å; D31-R35 WeakPolarHBondContact O-CG 3.14Å; D31-R35 PolarHBondContact O-N 2.9Å
32	S	92.7	Very high	88.7	Confident	28 Å²	28	58.5 Å²	58.5	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-49.3	178.3	-179.2	0	0	0	0	111.7	Q28 L29 I30 Y34 R35 N36	Q28-S32 WeakPolarHBondContact O-CB 3.3Å; Q28-S32 PolarHBondContact O-N 3.01Å; L29-S32 PolarHBondContact O-N 2.93Å; I30-S32 VanDerWaalsContact C-N 3.34Å; I30-S32 PolarHBondContact O-N 3.47Å; S32-Y34 VanDerWaalsContact C-N 3.3Å; S32-Y34 PolarHBondContact O-N 3.17Å; S32-R35 PolarHBondContact O-N 3.06Å; S32-N36 WeakPolarHBondContact O-CB 3.42Å; S32-N36 PolarHBondContact O-N 3.21Å; S32-N36 PolarHBondContact O-ND2 3.46Å
33	I	93.5	Very high	86.7	Confident	1 Å²	1	67 Å²	67	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-45.9	177.5	-69.3	166	0	0	0	109.9	L29 I30 R37 L52 L55 I59 F142 P144	L29-I33 HydrophobicContact CD1-CD1 4.42Å; L29-I33 HydrophobicContact CG-CD1 4.08Å; L29-I33 VanDerWaalsContact O-CG1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.33Å; L29-I33 PolarHBondContact O-N 3.16Å; I30-I33 PolarHBondContact O-N 2.99Å; I33-R37 PolarHBondContact O-N 2.9Å; I33-R37 VanDerWaalsContact O-N 3.1Å; I33-L52 HydrophobicContact CG2-CB 4.07Å; I33-L52 HydrophobicContact CG2-CD2 3.97Å; I33-L52 HydrophobicContact CG2-CG 4.5Å; I33-L55 HydrophobicContact CD1-CD2 3.89Å; I33-L55 HydrophobicContact CD1-CG 4.22Å; I33-I59 HydrophobicContact CD1-CD1 3.79Å; I33-F142 HydrophobicContact CD1-CE1 4.31Å; I33-F142 HydrophobicContact CG1-CE1 4.21Å; I33-F142 HydrophobicContact CG1-CZ 4.26Å; I33-P144 HydrophobicContact CD1-CB 4.1Å
34	Y	91.1	Very high	84.8	Confident	142 Å²	142	67.9 Å²	67.9	56%	0.557	33%	0.329	S	S	*	.	H	α-helix	trans	-63.5	-48.2	-179.5	-179.9	-99.5	0	0	0	112.4	I30 D31 S32 N36 R37	I30-Y34 WeakPolarHBondContact O-CB 3.46Å; I30-Y34 PolarHBondContact O-N 3.29Å; D31-Y34 PolarHBondContact O-N 3.43Å; S32-Y34 VanDerWaalsContact C-N 3.3Å; S32-Y34 PolarHBondContact O-N 3.17Å; Y34-N36 VanDerWaalsContact C-N 3.35Å; Y34-N36 PolarHBondContact O-N 3.08Å; Y34-R37 VanDerWaalsContact O-CD 3.28Å; Y34-R37 WeakPolarHBondContact O-CD 3.48Å; Y34-R37 VanDerWaalsContact O-CG 3.26Å; Y34-R37 WeakPolarHBondContact O-CG 3.49Å; Y34-R37 PolarHBondContact O-NH1 3.28Å
35	R	90.1	Very high	83.2	Confident	188 Å²	188	71.7 Å²	71.7	71%	0.709	34%	0.344	S	S	*	.	H	α-helix	trans	-66.9	-34.7	-177.9	-73.5	178.3	-173.9	-168.4	4.2	112.8	D31 S32	D31-R35 WeakPolarHBondContact O-CB 3.3Å; D31-R35 VanDerWaalsContact O-CG 3.26Å; D31-R35 WeakPolarHBondContact O-CG 3.14Å; D31-R35 PolarHBondContact O-N 2.9Å; S32-R35 PolarHBondContact O-N 3.06Å
36	N	88.1	Confident	81.7	Confident	47 Å²	47	77.5 Å²	77.5	25%	0.251	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	7.5	-175.9	-62.1	-77.3	0	0	0	113.8	S32 Y34 E38 T39 Y40 L147	S32-N36 WeakPolarHBondContact O-CB 3.42Å; S32-N36 PolarHBondContact O-N 3.21Å; S32-N36 PolarHBondContact O-ND2 3.46Å; Y34-N36 VanDerWaalsContact C-N 3.35Å; Y34-N36 PolarHBondContact O-N 3.08Å; N36-E38 PolarHBondContact O-N 3.19Å; N36-E38 VanDerWaalsContact O-N 3.16Å; N36-T39 WeakPolarHBondContact O-CA 3.24Å; N36-T39 WeakPolarHBondContact O-CB 3.26Å; N36-T39 PolarHBondContact O-N 3.33Å; N36-Y40 HydrophobicContact CB-CD2 4.2Å; N36-Y40 HydrophobicContact CB-CE2 3.67Å; N36-Y40 WeakPolarHBondContact O-CD2 3.31Å; N36-Y40 PolarHBondContact O-N 3.24Å; N36-Y40 VanDerWaalsContact O-N 3.08Å; N36-L147 HydrophobicContact CB-CD1 3.4Å; N36-L147 WeakPolarHBondContact OD1-CD1 3.3Å
37	R	86.1	Confident	80.9	Confident	73 Å²	73	81.1 Å²	81.1	28%	0.275	39%	0.39	S	S	.	.	H	α-helix	trans	-51.2	-40.2	179.7	71	-170.3	179.8	-87.4	-13.7	112.7	I33 Y34 Y40 C41 L52	I33-R37 PolarHBondContact O-N 2.9Å; I33-R37 VanDerWaalsContact O-N 3.1Å; Y34-R37 VanDerWaalsContact O-CD 3.28Å; Y34-R37 WeakPolarHBondContact O-CD 3.48Å; Y34-R37 VanDerWaalsContact O-CG 3.26Å; Y34-R37 WeakPolarHBondContact O-CG 3.49Å; Y34-R37 PolarHBondContact O-NH1 3.28Å; R37-Y40 PolarHBondContact O-N 3.1Å; R37-C41 WeakPolarHBondContact O-CB 3.29Å; R37-C41 PolarHBondContact O-N 3.39Å; R37-C41 PolarHBondContact O-SG 3.22Å; R37-L52 HydrophobicContact CB-CD1 4.14Å
38	E	82.5	Confident	80.5	Confident	133 Å²	133	81.8 Å²	81.8	62%	0.621	39%	0.391	S	S	*	.	H	α-helix	trans	-68.4	-38.4	-179.8	-73.1	164.6	-151.5	0	0	111.5	N36 Y40 C41	N36-E38 PolarHBondContact O-N 3.19Å; N36-E38 VanDerWaalsContact O-N 3.16Å; E38-Y40 VanDerWaalsContact C-N 3.29Å; E38-Y40 PolarHBondContact O-N 2.94Å; E38-C41 PolarHBondContact O-N 3.46Å
39	T	80	Confident	80.2	Confident	78 Å²	78	80.7 Å²	80.7	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-63.8	-33.4	173.7	-47.5	0	0	0	0	112.4	N36 N42	N36-T39 WeakPolarHBondContact O-CA 3.24Å; N36-T39 WeakPolarHBondContact O-CB 3.26Å; N36-T39 PolarHBondContact O-N 3.33Å; T39-N42 PolarHBondContact O-ND2 2.87Å; T39-N42 PolarHBondContact O-OD1 3.09Å
40	Y	78.6	Confident	79.9	Confident	47 Å²	47	83.8 Å²	83.8	18%	0.184	40%	0.404	C	S	.	.	H	α-helix	trans	-79	-25.7	175.5	-60.7	-53.1	0	0	0	113	N36 R37 E38 N42 L52 F142 L147	N36-Y40 HydrophobicContact CB-CD2 4.2Å; N36-Y40 HydrophobicContact CB-CE2 3.67Å; N36-Y40 WeakPolarHBondContact O-CD2 3.31Å; N36-Y40 PolarHBondContact O-N 3.24Å; N36-Y40 VanDerWaalsContact O-N 3.08Å; R37-Y40 PolarHBondContact O-N 3.1Å; E38-Y40 VanDerWaalsContact C-N 3.29Å; E38-Y40 PolarHBondContact O-N 2.94Å; Y40-N42 PolarHBondContact O-N 3.45Å; Y40-L52 HydrophobicContact CD2-CD1 4.03Å; Y40-L52 HydrophobicContact CG-CD1 4.44Å; Y40-F142 AromaticContact CD1-CE2 3.91Å; Y40-F142 HydrophobicContact CD1-CE2 3.91Å; Y40-F142 HydrophobicContact CD2-CE2 4.1Å; Y40-F142 HydrophobicContact CD2-CZ 4.31Å; Y40-F142 AromaticContact CE1-CE2 3.66Å; Y40-F142 HydrophobicContact CE1-CE2 3.66Å; Y40-F142 HydrophobicContact CE1-CZ 4.38Å; Y40-F142 AromaticContact CE2-CE2 3.88Å; Y40-F142 HydrophobicContact CE2-CE2 3.88Å; Y40-F142 AromaticContact CE2-CZ 3.86Å; Y40-F142 HydrophobicContact CE2-CZ 3.86Å; Y40-F142 HydrophobicContact CG-CE2 4.11Å; Y40-F142 AromaticContact CZ-CE2 3.63Å; Y40-F142 AromaticContact CZ-CZ 3.88Å; Y40-L147 HydrophobicContact CE1-CD1 4Å; Y40-L147 HydrophobicContact CE1-CG 4.21Å; Y40-L147 HydrophobicContact CE2-CD1 4.26Å; Y40-L147 WeakPolarHBondContact OH-CD1 3.41Å; Y40-L147 VanDerWaalsContact OH-CG 3.31Å; Y40-L147 WeakPolarHBondContact OH-CG 3.46Å
41	C	70	Confident	79.9	Confident	26 Å²	26	85.6 Å²	85.6	18%	0.176	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	14.3	-176.6	-68.9	0	0	0	0	114.2	R37 E38 D43 A44	R37-C41 WeakPolarHBondContact O-CB 3.29Å; R37-C41 PolarHBondContact O-N 3.39Å; R37-C41 PolarHBondContact O-SG 3.22Å; E38-C41 PolarHBondContact O-N 3.46Å; C41-D43 CarbonylContact O-C 3.58Å; C41-D43 PolarHBondContact O-N 2.81Å; C41-A44 PolarHBondContact O-N 2.98Å
42	N	62.1	Low	79.9	Confident	129 Å²	129	82 Å²	82	69%	0.69	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-32.3	96.8	179.5	-75.5	-18	0	0	0	113.5	T39 Y40 A44	T39-N42 PolarHBondContact O-ND2 2.87Å; T39-N42 PolarHBondContact O-OD1 3.09Å; Y40-N42 PolarHBondContact O-N 3.45Å; N42-A44 PolarHBondContact O-N 3.44Å
43	D	52.6	Low	79.9	Confident	180 Å²	180	86.2 Å²	86.2	96%	0.963	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.2	10.7	-170.6	-64.6	-30.6	0	0	0	116.8	C41 R45	C41-D43 CarbonylContact O-C 3.58Å; C41-D43 PolarHBondContact O-N 2.81Å; D43-R45 PolarHBondContact O-N 2.97Å
44	A	56.2	Low	80	Confident	34 Å²	34	88.7 Å²	88.7	28%	0.281	42%	0.419	S	S	.	.			trans	-92.9	108.5	-175.2	0	0	0	0	0	109.2	C41 N42 I48	C41-A44 PolarHBondContact O-N 2.98Å; N42-A44 PolarHBondContact O-N 3.44Å; A44-I48 HydrophobicContact CB-CD1 3.58Å
45	R	58.2	Low	80.3	Confident	206 Å²	206	82 Å²	82	78%	0.777	39%	0.392	S	S	*	.			trans	20.7	123.5	151.8	-53.4	178.4	-144.2	167.4	7	115.3	D43 D47 I48	D43-R45 PolarHBondContact O-N 2.97Å; R45-D47 HydrophobicContact CB-CB 4.18Å; R45-D47 PolarHBondContact O-N 3.42Å; R45-I48 PolarHBondContact O-N 3.29Å
46	Q	63.8	Low	80.6	Confident	128 Å²	128	74.1 Å²	74.1	60%	0.598	37%	0.365	S	S	*	.	H	α-helix	trans	-29.5	-34.2	164.5	-175.2	62.5	34.8	0	0	115.3	I48 S49 D50	Q46-I48 PolarHBondContact O-N 3.36Å; Q46-S49 WeakPolarHBondContact O-CB 3.41Å; Q46-S49 PolarHBondContact O-N 2.98Å; Q46-D50 PolarHBondContact NE2-OD1 3.43Å; Q46-D50 PolarHBondContact NE2-OD2 2.76Å; Q46-D50 PolarHBondContact O-N 3.45Å
47	D	80.4	Confident	81	Confident	78 Å²	78	78.3 Å²	78.3	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-47.2	-47.2	171.4	-175.9	46.9	0	0	0	115.3	R45 S49 D50 K51	R45-D47 HydrophobicContact CB-CB 4.18Å; R45-D47 PolarHBondContact O-N 3.42Å; D47-S49 PolarHBondContact O-N 3.27Å; D47-D50 PolarHBondContact O-N 3.01Å; D47-K51 VanDerWaalsContact O-CG 3.26Å; D47-K51 WeakPolarHBondContact O-CG 3.44Å; D47-K51 PolarHBondContact O-N 3.29Å; D47-K51 WeakPolarHBondContact OD1-CE 3.2Å; D47-K51 IonicContact OD1-NZ 3.01Å; D47-K51 PolarHBondContact OD1-NZ 3.45Å; D47-K51 WeakPolarHBondContact OD2-CE 3.4Å; D47-K51 IonicContact OD2-NZ 2.67Å; D47-K51 PolarHBondContact OD2-NZ 3.35Å
48	I	86	Confident	81.5	Confident	47 Å²	47	77.2 Å²	77.2	24%	0.241	37%	0.373	C	S	.	.	H	α-helix	trans	-66.5	-42.1	-178.7	-63.4	-176.8	0	0	0	110.9	A44 R45 Q46 D50 K51 L52	A44-I48 HydrophobicContact CB-CD1 3.58Å; R45-I48 PolarHBondContact O-N 3.29Å; Q46-I48 PolarHBondContact O-N 3.36Å; I48-D50 VanDerWaalsContact C-N 3.3Å; I48-D50 PolarHBondContact O-N 2.86Å; I48-K51 PolarHBondContact O-N 3.46Å; I48-L52 HydrophobicContact CG2-CD1 3.98Å; I48-L52 HydrophobicContact CG2-CG 4.22Å; I48-L52 WeakPolarHBondContact O-CG 3.45Å; I48-L52 PolarHBondContact O-N 3.29Å
49	S	86.4	Confident	82.3	Confident	22 Å²	22	70.9 Å²	70.9	15%	0.154	34%	0.344	C	S	.	.	H	α-helix	trans	-57.8	-45.1	177.2	154.9	0	0	0	0	111.1	Q46 D47 L52 K53	Q46-S49 WeakPolarHBondContact O-CB 3.41Å; Q46-S49 PolarHBondContact O-N 2.98Å; D47-S49 PolarHBondContact O-N 3.27Å; S49-L52 PolarHBondContact O-N 3.17Å; S49-K53 WeakPolarHBondContact O-CG 3.34Å; S49-K53 PolarHBondContact O-N 3.46Å; S49-K53 WeakPolarHBondContact OG-CE 3.45Å
50	D	90.4	Very high	83.1	Confident	71 Å²	71	69.8 Å²	69.8	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-70.5	-34.3	-178.6	-65.1	-25.8	0	0	0	112.1	Q46 D47 I48 K53 E54	Q46-D50 PolarHBondContact NE2-OD1 3.43Å; Q46-D50 PolarHBondContact NE2-OD2 2.76Å; Q46-D50 PolarHBondContact O-N 3.45Å; D47-D50 PolarHBondContact O-N 3.01Å; I48-D50 VanDerWaalsContact C-N 3.3Å; I48-D50 PolarHBondContact O-N 2.86Å; D50-K53 PolarHBondContact O-N 2.82Å; D50-K53 IonicContact OD1-NZ 2.74Å; D50-K53 PolarHBondContact OD1-NZ 3.38Å; D50-E54 PolarHBondContact O-N 3.41Å
51	K	94.3	Very high	83.9	Confident	60 Å²	60	71.6 Å²	71.6	26%	0.261	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-42.2	169.9	-69.8	172	173	167.3	0	113.1	D47 I48 E54 L55 S137 L139	D47-K51 VanDerWaalsContact O-CG 3.26Å; D47-K51 WeakPolarHBondContact O-CG 3.44Å; D47-K51 PolarHBondContact O-N 3.29Å; D47-K51 WeakPolarHBondContact OD1-CE 3.2Å; D47-K51 IonicContact OD1-NZ 3.01Å; D47-K51 PolarHBondContact OD1-NZ 3.45Å; D47-K51 WeakPolarHBondContact OD2-CE 3.4Å; D47-K51 IonicContact OD2-NZ 2.67Å; D47-K51 PolarHBondContact OD2-NZ 3.35Å; I48-K51 PolarHBondContact O-N 3.46Å; K51-E54 PolarHBondContact O-N 3.36Å; K51-L55 PolarHBondContact O-N 3.39Å; K51-S137 WeakPolarHBondContact CB-O 3.49Å; K51-S137 VanDerWaalsContact CG-O 3.22Å; K51-S137 WeakPolarHBondContact CG-O 3.4Å; K51-L139 HydrophobicContact CB-CD1 4.21Å; K51-L139 HydrophobicContact CB-CD2 4.02Å; K51-L139 HydrophobicContact CB-CG 4Å; K51-L139 HydrophobicContact CD-CD2 4.37Å
52	L	94.5	Very high	85.2	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-36.3	177.1	-68.6	173.7	0	0	0	112.2	I33 R37 Y40 I48 S49 L55 T56 L139 F142	I33-L52 HydrophobicContact CG2-CB 4.07Å; I33-L52 HydrophobicContact CG2-CD2 3.97Å; I33-L52 HydrophobicContact CG2-CG 4.5Å; R37-L52 HydrophobicContact CB-CD1 4.14Å; Y40-L52 HydrophobicContact CD2-CD1 4.03Å; Y40-L52 HydrophobicContact CG-CD1 4.44Å; I48-L52 HydrophobicContact CG2-CD1 3.98Å; I48-L52 HydrophobicContact CG2-CG 4.22Å; I48-L52 WeakPolarHBondContact O-CG 3.45Å; I48-L52 PolarHBondContact O-N 3.29Å; S49-L52 PolarHBondContact O-N 3.17Å; L52-L55 PolarHBondContact O-N 3Å; L52-T56 WeakPolarHBondContact O-CB 3.35Å; L52-T56 PolarHBondContact O-N 3.01Å; L52-T56 PolarHBondContact O-OG1 2.96Å; L52-L139 HydrophobicContact CD2-CD1 3.75Å; L52-L139 HydrophobicContact CD2-CD2 4.43Å; L52-L139 HydrophobicContact CG-CD1 4.45Å; L52-F142 HydrophobicContact CD2-CE1 4.02Å; L52-F142 HydrophobicContact CD2-CE2 4.26Å; L52-F142 HydrophobicContact CD2-CZ 3.87Å
53	K	93.3	Very high	86.8	Confident	116 Å²	116	67.9 Å²	67.9	50%	0.504	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-45.2	171.6	-71.5	172.5	-164.9	160.5	0	111.1	S49 D50 T56 R57	S49-K53 WeakPolarHBondContact O-CG 3.34Å; S49-K53 PolarHBondContact O-N 3.46Å; S49-K53 WeakPolarHBondContact OG-CE 3.45Å; D50-K53 PolarHBondContact O-N 2.82Å; D50-K53 IonicContact OD1-NZ 2.74Å; D50-K53 PolarHBondContact OD1-NZ 3.38Å; K53-T56 WeakPolarHBondContact O-CB 3.28Å; K53-T56 PolarHBondContact O-N 3.14Å; K53-R57 PolarHBondContact O-N 3.33Å
54	E	95.5	Very high	88.8	Confident	54 Å²	54	65.3 Å²	65.3	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-43.5	178.4	179.4	57.3	-169.5	0	0	111.8	D50 K51 T56 R57 R58	D50-E54 PolarHBondContact O-N 3.41Å; K51-E54 PolarHBondContact O-N 3.36Å; E54-T56 VanDerWaalsContact C-N 3.33Å; E54-T56 PolarHBondContact O-N 3.28Å; E54-R57 WeakPolarHBondContact O-CB 3.24Å; E54-R57 PolarHBondContact O-N 2.97Å; E54-R57 IonicContact OE1-CZ 3.04Å; E54-R57 IonicContact OE1-NE 2.79Å; E54-R57 IonicContact OE1-NH2 3.33Å; E54-R57 PolarHBondContact OE1-NH2 3.38Å; E54-R57 IonicContact OE2-CZ 3.61Å; E54-R57 IonicContact OE2-NE 2.73Å; E54-R57 PolarHBondContact OE2-NE 3.37Å; E54-R57 IonicContact OE2-NH2 3.23Å; E54-R58 WeakPolarHBondContact O-CG 3.29Å; E54-R58 PolarHBondContact O-N 2.91Å; E54-R58 IonicContact OE1-CZ 3.62Å; E54-R58 IonicContact OE1-NE 3.53Å; E54-R58 PolarHBondContact OE1-NE 2.85Å; E54-R58 VanDerWaalsContact OE1-NE 3.09Å; E54-R58 IonicContact OE1-NH1 3.6Å; E54-R58 IonicContact OE1-NH2 3.6Å; E54-R58 PolarHBondContact OE1-NH2 3.48Å
55	L	97.1	Very high	90.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-46.3	173.4	177	57.8	0	0	0	111.6	I33 K51 L52 R57 R58 I59 M133 V134 S137 L139 F142	I33-L55 HydrophobicContact CD1-CD2 3.89Å; I33-L55 HydrophobicContact CD1-CG 4.22Å; K51-L55 PolarHBondContact O-N 3.39Å; L52-L55 PolarHBondContact O-N 3Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.46Å; L55-R58 PolarHBondContact O-N 3.42Å; L55-I59 HydrophobicContact CD1-CD1 3.78Å; L55-I59 HydrophobicContact CD1-CG1 4.1Å; L55-I59 HydrophobicContact CG-CD1 3.8Å; L55-I59 WeakPolarHBondContact O-CG1 3.46Å; L55-I59 PolarHBondContact O-N 3.49Å; L55-M133 HydrophobicContact CD1-CB 4.17Å; L55-V134 HydrophobicContact CD1-CG2 3.83Å; L55-V134 HydrophobicContact CD2-CG2 3.94Å; L55-S137 WeakPolarHBondContact CA-OG 3.49Å; L55-L139 HydrophobicContact CB-CD1 4.13Å; L55-L139 HydrophobicContact CD2-CD1 3.76Å; L55-F142 HydrophobicContact CD2-CD1 3.84Å; L55-F142 HydrophobicContact CD2-CE1 3.72Å
56	T	96.9	Very high	92.4	Very high	24 Å²	24	54.7 Å²	54.7	15%	0.147	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-42.8	178.7	-57.5	0	0	0	0	111.7	I30 L52 K53 E54 I59 C60	I30-T56 HydrophobicContact CB-CG2 4.13Å; I30-T56 HydrophobicContact CG1-CG2 4.08Å; I30-T56 HydrophobicContact CG2-CG2 3.52Å; L52-T56 WeakPolarHBondContact O-CB 3.35Å; L52-T56 PolarHBondContact O-N 3.01Å; L52-T56 PolarHBondContact O-OG1 2.96Å; K53-T56 WeakPolarHBondContact O-CB 3.28Å; K53-T56 PolarHBondContact O-N 3.14Å; E54-T56 VanDerWaalsContact C-N 3.33Å; E54-T56 PolarHBondContact O-N 3.28Å; T56-I59 PolarHBondContact O-N 2.93Å; T56-C60 WeakPolarHBondContact O-CB 3.32Å; T56-C60 PolarHBondContact O-N 3.02Å
57	R	97	Very high	93.9	Very high	134 Å²	134	53.5 Å²	53.5	51%	0.506	25%	0.249	S	C	.	.	H	α-helix	trans	-60.6	-45	175.9	-171.4	-166.1	68	75.3	0.6	111.4	K53 E54 L55 C60 H61	K53-R57 PolarHBondContact O-N 3.33Å; E54-R57 WeakPolarHBondContact O-CB 3.24Å; E54-R57 PolarHBondContact O-N 2.97Å; E54-R57 IonicContact OE1-CZ 3.04Å; E54-R57 IonicContact OE1-NE 2.79Å; E54-R57 IonicContact OE1-NH2 3.33Å; E54-R57 PolarHBondContact OE1-NH2 3.38Å; E54-R57 IonicContact OE2-CZ 3.61Å; E54-R57 IonicContact OE2-NE 2.73Å; E54-R57 PolarHBondContact OE2-NE 3.37Å; E54-R57 IonicContact OE2-NH2 3.23Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.46Å; R57-C60 WeakPolarHBondContact O-CB 3.5Å; R57-C60 PolarHBondContact O-N 3.05Å; R57-H61 PolarHBondContact O-N 3.5Å; R57-H61 VanDerWaalsContact O-N 3.09Å
58	R	96.7	Very high	94.5	Very high	50 Å²	50	52.6 Å²	52.6	19%	0.189	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-44.1	178.1	-68.4	179.3	-170.9	-71.9	-8.5	112.3	E54 L55 C60 H61 L62 M133 Q136 S137	E54-R58 WeakPolarHBondContact O-CG 3.29Å; E54-R58 PolarHBondContact O-N 2.91Å; E54-R58 IonicContact OE1-CZ 3.62Å; E54-R58 IonicContact OE1-NE 3.53Å; E54-R58 PolarHBondContact OE1-NE 2.85Å; E54-R58 VanDerWaalsContact OE1-NE 3.09Å; E54-R58 IonicContact OE1-NH1 3.6Å; E54-R58 IonicContact OE1-NH2 3.6Å; E54-R58 PolarHBondContact OE1-NH2 3.48Å; L55-R58 PolarHBondContact O-N 3.42Å; R58-C60 VanDerWaalsContact C-N 3.29Å; R58-C60 PolarHBondContact O-N 2.73Å; R58-H61 WeakPolarHBondContact O-CB 3.5Å; R58-H61 PolarHBondContact O-N 3.21Å; R58-H61 VanDerWaalsContact O-N 3.15Å; R58-L62 PolarHBondContact O-N 2.99Å; R58-M133 HydrophobicContact CB-CB 4.25Å; R58-M133 HydrophobicContact CB-CE 4.4Å; R58-M133 HydrophobicContact CB-CG 4.1Å; R58-M133 HydrophobicContact CB-SD 3.74Å; R58-Q136 VanDerWaalsContact CZ-CD 3.4Å; R58-S137 PolarHBondContact NE-OG 3.31Å
59	I	97.8	Very high	94.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-37.1	176.6	-64.4	165.3	0	0	0	110.9	L26 L29 I30 I33 L55 T56 H61 L62 R63	L26-I59 HydrophobicContact CB-CG2 4.15Å; L26-I59 HydrophobicContact CD2-CG2 4Å; L29-I59 HydrophobicContact CD2-CD1 3.83Å; L29-I59 HydrophobicContact CD2-CG2 4.47Å; L29-I59 HydrophobicContact CG-CD1 4.2Å; I30-I59 HydrophobicContact CD1-CB 4.4Å; I30-I59 HydrophobicContact CD1-CG2 3.91Å; I30-I59 HydrophobicContact CG1-CB 4.04Å; I30-I59 HydrophobicContact CG1-CG2 3.69Å; I33-I59 HydrophobicContact CD1-CD1 3.79Å; L55-I59 HydrophobicContact CD1-CD1 3.78Å; L55-I59 HydrophobicContact CD1-CG1 4.1Å; L55-I59 HydrophobicContact CG-CD1 3.8Å; L55-I59 WeakPolarHBondContact O-CG1 3.46Å; L55-I59 PolarHBondContact O-N 3.49Å; T56-I59 PolarHBondContact O-N 2.93Å; I59-H61 VanDerWaalsContact C-N 3.32Å; I59-H61 PolarHBondContact O-N 3.19Å; I59-L62 PolarHBondContact O-N 3.19Å; I59-R63 PolarHBondContact O-N 2.94Å
60	C	97.5	Very high	95.3	Very high	55 Å²	55	55.3 Å²	55.3	37%	0.372	26%	0.256	S	S	.	.	H	α-helix	trans	-62.5	-39.9	174.5	-171.7	0	0	0	0	112	I30 T56 R57 R58 Y64	I30-C60 HydrophobicContact CD1-CB 3.98Å; T56-C60 WeakPolarHBondContact O-CB 3.32Å; T56-C60 PolarHBondContact O-N 3.02Å; R57-C60 WeakPolarHBondContact O-CB 3.5Å; R57-C60 PolarHBondContact O-N 3.05Å; R58-C60 VanDerWaalsContact C-N 3.29Å; R58-C60 PolarHBondContact O-N 2.73Å; C60-Y64 PolarHBondContact O-N 3.43Å
61	H	96	Very high	95.5	Very high	86 Å²	86	54.1 Å²	54.1	40%	0.398	25%	0.252	S	S	.	.	H	α-helix	trans	-67.2	-44.8	174.8	-169.4	-126.4	0	0	0	111.7	R57 R58 I59 R63 Y64 D65	R57-H61 PolarHBondContact O-N 3.5Å; R57-H61 VanDerWaalsContact O-N 3.09Å; R58-H61 WeakPolarHBondContact O-CB 3.5Å; R58-H61 PolarHBondContact O-N 3.21Å; R58-H61 VanDerWaalsContact O-N 3.15Å; I59-H61 VanDerWaalsContact C-N 3.32Å; I59-H61 PolarHBondContact O-N 3.19Å; H61-R63 VanDerWaalsContact C-N 3.26Å; H61-R63 PolarHBondContact O-N 3.13Å; H61-Y64 WeakPolarHBondContact O-CA 3.23Å; H61-Y64 WeakPolarHBondContact O-CB 3.44Å; H61-Y64 PolarHBondContact O-N 2.92Å; H61-D65 IonicContact CE1-OD1 2.69Å; H61-D65 IonicContact CE1-OD2 2.84Å; H61-D65 IonicContact ND1-OD2 3.54Å; H61-D65 IonicContact NE2-OD1 3.53Å; H61-D65 PolarHBondContact O-N 2.9Å
62	L	96.6	Very high	95.5	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-55.1	-42.4	175	-179	58.4	0	0	0	112.2	L26 R58 I59 Y64 D65 I66 W114 L126 R129 I130 M133	L26-L62 HydrophobicContact CD1-CG 4.45Å; L26-L62 HydrophobicContact CD2-CD2 4.43Å; R58-L62 PolarHBondContact O-N 2.99Å; I59-L62 PolarHBondContact O-N 3.19Å; L62-Y64 VanDerWaalsContact C-N 3.32Å; L62-Y64 PolarHBondContact O-N 3.05Å; L62-D65 PolarHBondContact O-N 3.49Å; L62-I66 HydrophobicContact CD1-CD1 3.98Å; L62-I66 HydrophobicContact CD1-CG1 4.35Å; L62-I66 HydrophobicContact CG-CD1 3.88Å; L62-I66 WeakPolarHBondContact O-CD1 3.48Å; L62-I66 WeakPolarHBondContact O-CG1 3.28Å; L62-I66 PolarHBondContact O-N 2.86Å; L62-W114 HydrophobicContact CD1-CH2 4.05Å; L62-W114 HydrophobicContact CD1-CZ2 3.58Å; L62-L126 HydrophobicContact CD2-CD1 3.94Å; L62-L126 HydrophobicContact CG-CD1 4.31Å; L62-R129 HydrophobicContact CD1-CG 3.89Å; L62-R129 HydrophobicContact CD2-CG 4.12Å; L62-I130 HydrophobicContact CD2-CG1 3.91Å; L62-M133 HydrophobicContact CB-CE 3.82Å; L62-M133 HydrophobicContact CB-SD 4.11Å; L62-M133 HydrophobicContact CD1-CE 4.31Å; L62-M133 HydrophobicContact CD2-CE 4.27Å; L62-M133 HydrophobicContact CD2-SD 4.01Å; L62-M133 HydrophobicContact CG-CE 4.36Å
63	R	96.3	Very high	95.6	Very high	73 Å²	73	51.9 Å²	51.9	28%	0.275	24%	0.243	S	C	.	.	H	α-helix	trans	-59.5	-44.8	176.1	-171	-176.2	71.9	-148.9	-6.1	111.4	P23 L26 S27 I59 H61 M67	P23-R63 HydrophobicContact CB-CG 4.46Å; L26-R63 HydrophobicContact CB-CB 4.21Å; L26-R63 HydrophobicContact CB-CG 4.27Å; L26-R63 HydrophobicContact CD1-CB 3.86Å; L26-R63 HydrophobicContact CD1-CG 4.18Å; S27-R63 WeakPolarHBondContact OG-CD 3.43Å; S27-R63 PolarHBondContact OG-NH1 3.38Å; I59-R63 PolarHBondContact O-N 2.94Å; H61-R63 VanDerWaalsContact C-N 3.26Å; H61-R63 PolarHBondContact O-N 3.13Å; R63-M67 HydrophobicContact CG-SD 3.95Å; R63-M67 WeakPolarHBondContact O-CB 3.25Å; R63-M67 VanDerWaalsContact O-CG 3.23Å; R63-M67 WeakPolarHBondContact O-CG 3.07Å; R63-M67 PolarHBondContact O-N 3.4Å; R63-M67 VanDerWaalsContact O-N 3.08Å
64	Y	95.1	Very high	95.8	Very high	125 Å²	125	47.6 Å²	47.6	49%	0.49	23%	0.226	S	C	.	.	H	α-helix	trans	-62.4	-44.4	176.2	172.1	-98.2	0	0	0	111.6	C60 H61 L62 I66 M67 T68	C60-Y64 PolarHBondContact O-N 3.43Å; H61-Y64 WeakPolarHBondContact O-CA 3.23Å; H61-Y64 WeakPolarHBondContact O-CB 3.44Å; H61-Y64 PolarHBondContact O-N 2.92Å; L62-Y64 VanDerWaalsContact C-N 3.32Å; L62-Y64 PolarHBondContact O-N 3.05Å; Y64-I66 VanDerWaalsContact C-N 3.34Å; Y64-I66 PolarHBondContact O-N 3.44Å; Y64-M67 PolarHBondContact O-N 3.12Å; Y64-T68 HydrophobicContact CD2-CG2 3.97Å; Y64-T68 HydrophobicContact CE2-CG2 3.63Å; Y64-T68 WeakPolarHBondContact O-CB 3.19Å; Y64-T68 PolarHBondContact O-N 3.07Å; Y64-T68 PolarHBondContact O-OG1 2.9Å
65	D	95	Very high	95.9	Very high	16 Å²	16	45.2 Å²	45.2	9%	0.086	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-45.1	-179.5	-71.7	-17.2	0	0	0	112.1	H61 L62 T68 N69 K70	H61-D65 IonicContact CE1-OD1 2.69Å; H61-D65 IonicContact CE1-OD2 2.84Å; H61-D65 IonicContact ND1-OD2 3.54Å; H61-D65 IonicContact NE2-OD1 3.53Å; H61-D65 PolarHBondContact O-N 2.9Å; L62-D65 PolarHBondContact O-N 3.49Å; D65-T68 PolarHBondContact O-N 2.94Å; D65-N69 PolarHBondContact O-N 3.1Å; D65-N69 VanDerWaalsContact O-N 3.11Å; D65-K70 HydrophobicContact CB-CB 3.97Å; D65-K70 HydrophobicContact CB-CG 4.13Å; D65-K70 PolarHBondContact O-N 3.39Å
66	I	94.2	Very high	95.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-48.5	177.6	-68.9	160.4	0	0	0	111.3	W22 L26 L62 Y64 T68 N69 W114 Y115 L126	W22-I66 HydrophobicContact CE3-CD1 4.43Å; W22-I66 HydrophobicContact CE3-CG2 3.7Å; W22-I66 HydrophobicContact CZ3-CG2 4.29Å; L26-I66 HydrophobicContact CD1-CD1 3.68Å; L62-I66 HydrophobicContact CD1-CD1 3.98Å; L62-I66 HydrophobicContact CD1-CG1 4.35Å; L62-I66 HydrophobicContact CG-CD1 3.88Å; L62-I66 WeakPolarHBondContact O-CD1 3.48Å; L62-I66 WeakPolarHBondContact O-CG1 3.28Å; L62-I66 PolarHBondContact O-N 2.86Å; Y64-I66 VanDerWaalsContact C-N 3.34Å; Y64-I66 PolarHBondContact O-N 3.44Å; I66-T68 PolarHBondContact O-N 3.24Å; I66-N69 PolarHBondContact O-N 3.48Å; I66-W114 HydrophobicContact CD1-CH2 4.22Å; I66-W114 HydrophobicContact CD1-CZ2 4.26Å; I66-W114 HydrophobicContact CD1-CZ3 4.49Å; I66-W114 HydrophobicContact CG1-CD2 3.77Å; I66-W114 HydrophobicContact CG1-CE3 4.08Å; I66-W114 HydrophobicContact CG1-CG 4.3Å; I66-W114 HydrophobicContact CG1-CH2 4.04Å; I66-W114 HydrophobicContact CG1-CZ2 3.74Å; I66-W114 HydrophobicContact CG1-CZ3 4.19Å; I66-Y115 WeakPolarHBondContact O-CE1 3.46Å; I66-Y115 PolarHBondContact O-OH 3.08Å; I66-L126 HydrophobicContact CD1-CD1 3.42Å; I66-L126 VanDerWaalsContact CD1-CD1 3.42Å
67	M	94.3	Very high	95.6	Very high	104 Å²	104	50.7 Å²	50.7	51%	0.512	24%	0.244	S	C	.	.	H	α-helix	trans	-66.4	-23.1	-177.3	-72.8	179	77.2	0	0	112.8	P23 R63 Y64	P23-M67 HydrophobicContact CB-CG 4.29Å; P23-M67 HydrophobicContact CB-SD 4.02Å; P23-M67 HydrophobicContact CG-CG 3.77Å; P23-M67 HydrophobicContact CG-SD 4.15Å; R63-M67 HydrophobicContact CG-SD 3.95Å; R63-M67 WeakPolarHBondContact O-CB 3.25Å; R63-M67 VanDerWaalsContact O-CG 3.23Å; R63-M67 WeakPolarHBondContact O-CG 3.07Å; R63-M67 PolarHBondContact O-N 3.4Å; R63-M67 VanDerWaalsContact O-N 3.08Å; Y64-M67 PolarHBondContact O-N 3.12Å
68	T	93.7	Very high	95.2	Very high	59 Å²	59	45.6 Å²	45.6	36%	0.362	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	15.1	-179.6	60.5	0	0	0	0	113.2	Y64 D65 I66 K70	Y64-T68 HydrophobicContact CD2-CG2 3.97Å; Y64-T68 HydrophobicContact CE2-CG2 3.63Å; Y64-T68 WeakPolarHBondContact O-CB 3.19Å; Y64-T68 PolarHBondContact O-N 3.07Å; Y64-T68 PolarHBondContact O-OG1 2.9Å; D65-T68 PolarHBondContact O-N 2.94Å; I66-T68 PolarHBondContact O-N 3.24Å; T68-K70 VanDerWaalsContact C-N 3.32Å; T68-K70 PolarHBondContact O-N 3.04Å; T68-K70 VanDerWaalsContact OG1-CE 3.23Å; T68-K70 WeakPolarHBondContact OG1-CE 3.42Å; T68-K70 WeakPolarHBondContact OG1-CG 3.04Å
69	N	94.4	Very high	94.7	Very high	48 Å²	48	45.5 Å²	45.5	26%	0.257	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	50.7	179.3	-169	32.6	0	0	0	113.1	D65 I66 C113 W114 Y115	D65-N69 PolarHBondContact O-N 3.1Å; D65-N69 VanDerWaalsContact O-N 3.11Å; I66-N69 PolarHBondContact O-N 3.48Å; N69-C113 VanDerWaalsContact OD1-CB 3.29Å; N69-C113 WeakPolarHBondContact OD1-CB 3.28Å; N69-W114 PolarHBondContact OD1-N 3.09Å; N69-W114 VanDerWaalsContact OD1-N 3.09Å; N69-Y115 HydrophobicContact CB-CD1 4.3Å; N69-Y115 HydrophobicContact CB-CD2 3.82Å; N69-Y115 HydrophobicContact CB-CE1 4.17Å; N69-Y115 HydrophobicContact CB-CE2 3.76Å; N69-Y115 HydrophobicContact CB-CG 4.09Å; N69-Y115 VanDerWaalsContact CG-CG 3.48Å; N69-Y115 WeakPolarHBondContact OD1-CB 3.21Å; N69-Y115 WeakPolarHBondContact OD1-CD1 3.4Å; N69-Y115 VanDerWaalsContact OD1-CG 3.28Å; N69-Y115 PolarHBondContact OD1-N 3.24Å
70	K	94.2	Very high	94.4	Very high	77 Å²	77	48.6 Å²	48.6	34%	0.335	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-71.1	158.9	178.4	-63.7	-56.6	-172.7	-171.2	0	112	D65 T68 C113 W114	D65-K70 HydrophobicContact CB-CB 3.97Å; D65-K70 HydrophobicContact CB-CG 4.13Å; D65-K70 PolarHBondContact O-N 3.39Å; T68-K70 VanDerWaalsContact C-N 3.32Å; T68-K70 PolarHBondContact O-N 3.04Å; T68-K70 VanDerWaalsContact OG1-CE 3.23Å; T68-K70 WeakPolarHBondContact OG1-CE 3.42Å; T68-K70 WeakPolarHBondContact OG1-CG 3.04Å; K70-C113 WeakPolarHBondContact O-CA 3.31Å; K70-W114 PolarHBondContact O-N 3.41Å
71	P	94.7	Very high	94	Very high	47 Å²	47	47.7 Å²	47.7	31%	0.305	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-54.9	141.7	169	-27.1	36.6	0	0	0	112.2	L99 H111	P71-L99 HydrophobicContact CB-CD1 3.62Å; P71-L99 HydrophobicContact CG-CD1 4.42Å; P71-H111 HydrophobicContact CB-CB 3.98Å; P71-H111 HydrophobicContact CG-CB 4.41Å
72	L	95.7	Very high	93.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-75.5	157.6	170	-79.9	75.7	0	0	0	110.6	L92 V97 A112 C113 W114 L117 Y125	L72-L92 HydrophobicContact CD2-CD2 4.18Å; L72-V97 HydrophobicContact CB-CB 4.44Å; L72-V97 HydrophobicContact CB-CG1 3.84Å; L72-V97 HydrophobicContact CB-CG2 3.72Å; L72-V97 HydrophobicContact CD2-CG2 4.06Å; L72-V97 HydrophobicContact CG-CG2 4.47Å; L72-A112 WeakPolarHBondContact CD1-O 3.31Å; L72-A112 PolarHBondContact N-O 3.07Å; L72-C113 WeakPolarHBondContact CD1-O 3.45Å; L72-W114 HydrophobicContact CD1-CB 4.38Å; L72-W114 HydrophobicContact CD1-CD2 4.17Å; L72-W114 HydrophobicContact CD1-CG 3.99Å; L72-W114 HydrophobicContact CG-CD2 4.46Å; L72-L117 HydrophobicContact CD1-CD1 3.55Å; L72-L117 HydrophobicContact CD2-CD1 3.35Å; L72-L117 HydrophobicContact CG-CD1 4.1Å; L72-Y125 HydrophobicContact CB-CE1 4.35Å; L72-Y125 HydrophobicContact CD2-CD1 3.48Å; L72-Y125 VanDerWaalsContact CD2-CD1 3.48Å; L72-Y125 HydrophobicContact CD2-CD2 4.44Å; L72-Y125 HydrophobicContact CD2-CE1 3.3Å; L72-Y125 HydrophobicContact CD2-CE2 4.25Å; L72-Y125 HydrophobicContact CD2-CG 4.04Å; L72-Y125 HydrophobicContact CG-CD1 4.24Å; L72-Y125 HydrophobicContact CG-CE1 3.64Å
73	T	96	Very high	93.6	Very high	14 Å²	14	51.2 Å²	51.2	9%	0.086	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-115.7	163.5	168.6	56.4	0	0	0	0	111.4	L99 Y125 R129	T73-L99 CarbonylContact C-O 3.39Å; T73-L99 WeakPolarHBondContact CA-O 3.49Å; T73-L99 WeakPolarHBondContact CB-O 3.42Å; T73-L99 HydrophobicContact CG2-CB 4.04Å; T73-Y125 PolarHBondContact N-OH 3.19Å; T73-Y125 PolarHBondContact O-OH 2.86Å; T73-R129 PolarHBondContact O-NH2 3.3Å; T73-R129 PolarHBondContact OG1-NH1 2.94Å; T73-R129 PolarHBondContact OG1-NH2 3.46Å
74	L	96.8	Very high	93.5	Very high	26 Å²	26	47.9 Å²	47.9	14%	0.136	27%	0.27	C	S	.	.			trans	-66.4	154.5	166.9	-64.1	178.2	0	0	0	110.3	N89 L92 V97 L99 E100 R129	L74-N89 HydrophobicContact CD2-CB 4.22Å; L74-L92 HydrophobicContact CD2-CB 3.83Å; L74-L92 HydrophobicContact CD2-CD1 4.4Å; L74-V97 HydrophobicContact CD2-CG1 4.17Å; L74-L99 PolarHBondContact N-O 3.09Å; L74-E100 HydrophobicContact CD1-CG 4.27Å; L74-R129 VanDerWaalsContact C-NH2 3.25Å; L74-R129 PolarHBondContact O-NH1 3.07Å; L74-R129 PolarHBondContact O-NH2 2.9Å
75	L	97.4	Very high	93.6	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	26%	0.255	C	S	.	.			trans	-78.5	146.7	172.9	-59.9	173.5	0	0	0	109.2	L85 W88 N89 L92 Y125 R128 D132	L75-L85 HydrophobicContact CB-CD1 3.63Å; L75-W88 HydrophobicContact CD1-CB 3.64Å; L75-W88 HydrophobicContact CD1-CD2 4.13Å; L75-W88 HydrophobicContact CD1-CE3 4.46Å; L75-W88 HydrophobicContact CD1-CG 3.79Å; L75-N89 PolarHBondContact N-OD1 3.49Å; L75-N89 PolarHBondContact O-ND2 2.86Å; L75-N89 PolarHBondContact O-OD1 3.31Å; L75-L92 HydrophobicContact CD1-CD1 4.45Å; L75-L92 HydrophobicContact CG-CD1 4.01Å; L75-Y125 HydrophobicContact CD2-CD2 4.5Å; L75-Y125 HydrophobicContact CD2-CE2 3.97Å; L75-Y125 HydrophobicContact CG-CE2 4.37Å; L75-R128 HydrophobicContact CD1-CG 3.44Å; L75-R128 VanDerWaalsContact CD1-CG 3.44Å; L75-R128 HydrophobicContact CD2-CG 4.37Å; L75-D132 HydrophobicContact CD2-CB 3.9Å
76	S	95.3	Very high	93.7	Very high	59 Å²	59	48.7 Å²	48.7	41%	0.413	28%	0.279	S	S	.	.			trans	-111.8	-25.4	-177.6	-54.8	0	0	0	0	112.4	D132	S76-D132 PolarHBondContact N-OD1 2.75Å
77	F	93.4	Very high	93.8	Very high	81 Å²	81	50.2 Å²	50.2	36%	0.355	29%	0.287	S	S	.	.			trans	-130.8	144.8	-171.8	-57.1	-82.7	0	0	0	112.1	R128 D132 V135 Q136	F77-R128 PolarHBondContact O-NH1 2.95Å; F77-R128 PolarHBondContact O-NH2 3.33Å; F77-D132 PolarHBondContact N-OD1 3.06Å; F77-V135 HydrophobicContact CB-CB 3.97Å; F77-V135 HydrophobicContact CB-CG1 3.76Å; F77-V135 HydrophobicContact CD1-CG1 4.45Å; F77-V135 HydrophobicContact CG-CG1 4.33Å; F77-Q136 HydrophobicContact CD2-CB 3.67Å; F77-Q136 HydrophobicContact CD2-CG 4Å; F77-Q136 HydrophobicContact CE2-CB 3.72Å; F77-Q136 HydrophobicContact CE2-CG 3.5Å; F77-Q136 VanDerWaalsContact CE2-CG 3.5Å; F77-Q136 HydrophobicContact CG-CB 4.47Å; F77-Q136 HydrophobicContact CZ-CG 4.17Å
78	S	88.9	Confident	94	Very high	26 Å²	26	45.2 Å²	45.2	18%	0.182	26%	0.262	C	S	.	.			trans	-137.5	133.3	172.7	-179.5	0	0	0	0	111.6	L80 G81 E84 R128	S78-L80 VanDerWaalsContact C-N 3.25Å; S78-L80 PolarHBondContact OG-N 2.96Å; S78-G81 PolarHBondContact OG-N 3.24Å; S78-G81 PolarHBondContact OG-O 3.07Å; S78-E84 WeakPolarHBondContact CB-OE2 3.5Å; S78-E84 PolarHBondContact OG-OE2 2.77Å; S78-R128 PolarHBondContact OG-NH2 3Å
79	P	86.5	Confident	94.2	Very high	49 Å²	49	44.1 Å²	44.1	32%	0.318	25%	0.254	S	S	.	.	S	Bend	trans	-79.4	-8	167.5	35.9	-36	0	0	0	112.6	I131 V135 I288	P79-I131 HydrophobicContact CG-CG2 3.96Å; P79-V135 HydrophobicContact CB-CG2 4.17Å; P79-V135 HydrophobicContact CG-CG2 4.35Å; P79-I288 HydrophobicContact CB-CG2 4.4Å; P79-I288 HydrophobicContact CG-CG2 3.34Å
80	L	91.4	Very high	94.4	Very high	64 Å²	64	47.4 Å²	47.4	34%	0.335	27%	0.267	S	S	.	.	S	Bend	trans	-103.4	-3.1	-175.5	-59.8	179.9	0	0	0	113.9	S78 E84 I288	S78-L80 VanDerWaalsContact C-N 3.25Å; S78-L80 PolarHBondContact OG-N 2.96Å; L80-E84 HydrophobicContact CB-CB 4.04Å; L80-E84 HydrophobicContact CB-CG 4.2Å; L80-E84 HydrophobicContact CD1-CG 4.06Å; L80-I288 HydrophobicContact CD1-CG2 3.95Å; L80-I288 HydrophobicContact CD2-CG2 3.89Å; L80-I288 HydrophobicContact CG-CG2 3.79Å
81	G	88.3	Confident	94.5	Very high	37 Å²	37	45 Å²	45	38%	0.381	26%	0.258	S	S	.	.			trans	100.6	179	179.4	0	0	0	0	0	114.1	S78 L85	S78-G81 PolarHBondContact OG-N 3.24Å; S78-G81 PolarHBondContact OG-O 3.07Å; G81-L85 PolarHBondContact O-N 2.74Å
82	S	91.7	Very high	94.7	Very high	75 Å²	75	42.8 Å²	42.8	52%	0.524	24%	0.244	S	C	.	.	H	α-helix	trans	-67.8	-38	-169.5	59.4	0	0	0	0	113.6	E84 L85 E86	S82-E84 VanDerWaalsContact C-N 3.31Å; S82-E84 PolarHBondContact O-N 3.27Å; S82-L85 PolarHBondContact O-N 2.94Å; S82-L85 VanDerWaalsContact O-N 3.12Å; S82-E86 WeakPolarHBondContact O-CB 3.43Å; S82-E86 VanDerWaalsContact O-CG 3.3Å; S82-E86 WeakPolarHBondContact O-CG 3.25Å; S82-E86 PolarHBondContact O-N 3.33Å
83	T	92.3	Very high	94.7	Very high	89 Å²	89	45.7 Å²	45.7	55%	0.546	26%	0.264	S	S	.	.	H	α-helix	trans	-58	-42.2	-178.7	-54.5	0	0	0	0	112.6	L87	T83-L87 WeakPolarHBondContact O-CB 3.4Å; T83-L87 PolarHBondContact O-N 3.44Å; T83-L87 VanDerWaalsContact O-N 3.1Å
84	E	94.7	Very high	94.6	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-40.1	177.5	-179.2	-90	175.3	0	0	111.9	S78 L80 S82 L87 W88 R128 Y345	S78-E84 WeakPolarHBondContact CB-OE2 3.5Å; S78-E84 PolarHBondContact OG-OE2 2.77Å; L80-E84 HydrophobicContact CB-CB 4.04Å; L80-E84 HydrophobicContact CB-CG 4.2Å; L80-E84 HydrophobicContact CD1-CG 4.06Å; S82-E84 VanDerWaalsContact C-N 3.31Å; S82-E84 PolarHBondContact O-N 3.27Å; E84-L87 PolarHBondContact O-N 2.98Å; E84-W88 PolarHBondContact O-N 3.16Å; E84-W88 PolarHBondContact OE1-NE1 3.3Å; E84-W88 VanDerWaalsContact OE1-NE1 3.16Å; E84-R128 IonicContact OE1-CZ 3.58Å; E84-R128 IonicContact OE1-NE 3.91Å; E84-R128 PolarHBondContact OE1-NE 3.35Å; E84-R128 IonicContact OE1-NH2 3.65Å; E84-R128 PolarHBondContact OE1-NH2 3.21Å; E84-R128 IonicContact OE2-CZ 3.76Å; E84-R128 IonicContact OE2-NE 2.62Å; E84-R128 IonicContact OE2-NH2 3.24Å; E84-R128 PolarHBondContact OE2-NH2 3.2Å; E84-Y345 HydrophobicContact CB-CG 4.45Å; E84-Y345 HydrophobicContact CG-CD2 4.48Å
85	L	96.6	Very high	94.5	Very high	32 Å²	32	51.2 Å²	51.2	17%	0.168	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-44.7	178.9	-174.7	59.7	0	0	0	111.6	L75 G81 S82 L87 W88 N89	L75-L85 HydrophobicContact CB-CD1 3.63Å; G81-L85 PolarHBondContact O-N 2.74Å; S82-L85 PolarHBondContact O-N 2.94Å; S82-L85 VanDerWaalsContact O-N 3.12Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3.39Å; L85-W88 PolarHBondContact O-N 3.42Å; L85-N89 WeakPolarHBondContact O-CB 3.13Å; L85-N89 PolarHBondContact O-N 3.03Å
86	E	97.4	Very high	94.3	Very high	126 Å²	126	52.2 Å²	52.2	59%	0.589	31%	0.306	S	S	*	.	H	α-helix	trans	-60	-43.8	176.5	-74.5	166.8	-158	0	0	111	S82 N89 H90	S82-E86 WeakPolarHBondContact O-CB 3.43Å; S82-E86 VanDerWaalsContact O-CG 3.3Å; S82-E86 WeakPolarHBondContact O-CG 3.25Å; S82-E86 PolarHBondContact O-N 3.33Å; E86-N89 PolarHBondContact O-N 3.17Å; E86-H90 VanDerWaalsContact O-CB 3.28Å; E86-H90 WeakPolarHBondContact O-CB 3.44Å; E86-H90 PolarHBondContact O-N 3.4Å
87	L	97.1	Very high	94.3	Very high	33 Å²	33	49.5 Å²	49.5	17%	0.173	29%	0.287	C	S	.	.	H	α-helix	trans	-59.7	-49.9	175.1	174.3	63.3	0	0	0	111.6	T83 E84 L85 N89 H90 L91 Y345 T349 V359	T83-L87 WeakPolarHBondContact O-CB 3.4Å; T83-L87 PolarHBondContact O-N 3.44Å; T83-L87 VanDerWaalsContact O-N 3.1Å; E84-L87 PolarHBondContact O-N 2.98Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3.39Å; L87-N89 PolarHBondContact O-N 2.98Å; L87-H90 WeakPolarHBondContact O-CB 3.19Å; L87-H90 PolarHBondContact O-N 3.3Å; L87-L91 HydrophobicContact CD1-CD1 4.07Å; L87-L91 HydrophobicContact CD1-CG 4.08Å; L87-L91 HydrophobicContact CG-CD1 4.04Å; L87-L91 HydrophobicContact CG-CG 4.43Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 VanDerWaalsContact O-CG 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.47Å; L87-L91 PolarHBondContact O-N 3.43Å; L87-Y345 HydrophobicContact CD2-CD2 4.16Å; L87-Y345 HydrophobicContact CD2-CE2 3.73Å; L87-T349 HydrophobicContact CD2-CG2 3.92Å; L87-V359 HydrophobicContact CD1-CG1 4.46Å; L87-V359 HydrophobicContact CD2-CG1 3.49Å; L87-V359 VanDerWaalsContact CD2-CG1 3.49Å
88	W	97.7	Very high	94.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-44.2	179.4	-94	104.4	0	0	0	112.7	L75 E84 L85 H90 L91 L92 F121 C124 R128 W290 T348	L75-W88 HydrophobicContact CD1-CB 3.64Å; L75-W88 HydrophobicContact CD1-CD2 4.13Å; L75-W88 HydrophobicContact CD1-CE3 4.46Å; L75-W88 HydrophobicContact CD1-CG 3.79Å; E84-W88 PolarHBondContact O-N 3.16Å; E84-W88 PolarHBondContact OE1-NE1 3.3Å; E84-W88 VanDerWaalsContact OE1-NE1 3.16Å; L85-W88 PolarHBondContact O-N 3.42Å; W88-H90 VanDerWaalsContact C-N 3.31Å; W88-H90 PolarHBondContact O-N 3.29Å; W88-L91 PolarHBondContact O-N 3.19Å; W88-L92 WeakPolarHBondContact O-CB 3.44Å; W88-L92 WeakPolarHBondContact O-CD1 3.32Å; W88-L92 VanDerWaalsContact O-CG 3.28Å; W88-L92 WeakPolarHBondContact O-CG 3.44Å; W88-L92 PolarHBondContact O-N 3.48Å; W88-F121 HydrophobicContact CZ3-CZ 4.39Å; W88-C124 HydrophobicContact CH2-CB 3.87Å; W88-R128 HydrophobicContact CD2-CG 4.12Å; W88-R128 HydrophobicContact CG-CG 4.42Å; W88-R128 HydrophobicContact CH2-CB 4.24Å; W88-R128 HydrophobicContact CZ2-CB 3.92Å; W88-R128 HydrophobicContact CZ2-CG 4.05Å; W88-W290 HydrophobicContact CH2-CH2 4.29Å; W88-W290 AromaticContact CZ2-CH2 3.73Å; W88-W290 HydrophobicContact CZ2-CH2 3.73Å; W88-T348 VanDerWaalsContact CZ2-O 3.3Å; W88-T348 WeakPolarHBondContact CZ2-O 3.35Å; W88-T348 PolarHBondContact NE1-O 3.37Å
89	N	98	Very high	94.2	Very high	35 Å²	35	50 Å²	50	19%	0.187	29%	0.286	C	S	.	.	H	α-helix	trans	-68	-33.3	179	-76.6	-16.3	0	0	0	111.9	L74 L75 L85 E86 L87 S93	L74-N89 HydrophobicContact CD2-CB 4.22Å; L75-N89 PolarHBondContact N-OD1 3.49Å; L75-N89 PolarHBondContact O-ND2 2.86Å; L75-N89 PolarHBondContact O-OD1 3.31Å; L85-N89 WeakPolarHBondContact O-CB 3.13Å; L85-N89 PolarHBondContact O-N 3.03Å; E86-N89 PolarHBondContact O-N 3.17Å; L87-N89 PolarHBondContact O-N 2.98Å; N89-S93 WeakPolarHBondContact O-CB 3.35Å; N89-S93 PolarHBondContact O-N 2.92Å; N89-S93 PolarHBondContact O-OG 3.28Å
90	H	97.6	Very high	94.4	Very high	117 Å²	117	53.9 Å²	53.9	54%	0.542	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-50.1	169.5	176.6	70.2	0	0	0	111.3	E86 L87 W88 L92 S93 V94	E86-H90 VanDerWaalsContact O-CB 3.28Å; E86-H90 WeakPolarHBondContact O-CB 3.44Å; E86-H90 PolarHBondContact O-N 3.4Å; L87-H90 WeakPolarHBondContact O-CB 3.19Å; L87-H90 PolarHBondContact O-N 3.3Å; W88-H90 VanDerWaalsContact C-N 3.31Å; W88-H90 PolarHBondContact O-N 3.29Å; H90-L92 VanDerWaalsContact C-N 3.32Å; H90-L92 PolarHBondContact O-N 3.18Å; H90-S93 WeakPolarHBondContact O-CB 3.46Å; H90-S93 PolarHBondContact O-N 3.36Å; H90-S93 VanDerWaalsContact O-N 3.16Å; H90-V94 WeakPolarHBondContact O-CG2 3.38Å; H90-V94 PolarHBondContact O-N 3.45Å
91	L	97.5	Very high	94.2	Very high	28 Å²	28	56.6 Å²	56.6	15%	0.147	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-41.4	178.2	-73.1	176.6	0	0	0	112	L87 W88 V94 Q95 F121	L87-L91 HydrophobicContact CD1-CD1 4.07Å; L87-L91 HydrophobicContact CD1-CG 4.08Å; L87-L91 HydrophobicContact CG-CD1 4.04Å; L87-L91 HydrophobicContact CG-CG 4.43Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 VanDerWaalsContact O-CG 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.47Å; L87-L91 PolarHBondContact O-N 3.43Å; W88-L91 PolarHBondContact O-N 3.19Å; L91-V94 PolarHBondContact O-N 2.94Å; L91-Q95 WeakPolarHBondContact O-CG 3.45Å; L91-Q95 PolarHBondContact O-N 3.24Å; L91-F121 HydrophobicContact CB-CE2 3.94Å; L91-F121 HydrophobicContact CB-CZ 4.18Å
92	L	97.5	Very high	93.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-44.6	174.2	-78.2	163.6	0	0	0	111.9	L72 L74 L75 W88 H90 V94 Q95 G96 V97 F121 Y125	L72-L92 HydrophobicContact CD2-CD2 4.18Å; L74-L92 HydrophobicContact CD2-CB 3.83Å; L74-L92 HydrophobicContact CD2-CD1 4.4Å; L75-L92 HydrophobicContact CD1-CD1 4.45Å; L75-L92 HydrophobicContact CG-CD1 4.01Å; W88-L92 WeakPolarHBondContact O-CB 3.44Å; W88-L92 WeakPolarHBondContact O-CD1 3.32Å; W88-L92 VanDerWaalsContact O-CG 3.28Å; W88-L92 WeakPolarHBondContact O-CG 3.44Å; W88-L92 PolarHBondContact O-N 3.48Å; H90-L92 VanDerWaalsContact C-N 3.32Å; H90-L92 PolarHBondContact O-N 3.18Å; L92-V94 VanDerWaalsContact C-N 3.3Å; L92-V94 PolarHBondContact O-N 2.94Å; L92-Q95 CarbonylContact O-C 3.53Å; L92-Q95 WeakPolarHBondContact O-CA 3.45Å; L92-Q95 WeakPolarHBondContact O-CB 3.31Å; L92-Q95 PolarHBondContact O-N 2.94Å; L92-G96 PolarHBondContact O-N 3.08Å; L92-V97 HydrophobicContact CB-CB 3.98Å; L92-V97 HydrophobicContact CB-CG1 4.38Å; L92-V97 HydrophobicContact CB-CG2 4.34Å; L92-V97 HydrophobicContact CD2-CB 4.23Å; L92-V97 HydrophobicContact CD2-CG1 4.37Å; L92-V97 HydrophobicContact CD2-CG2 3.83Å; L92-V97 WeakPolarHBondContact O-CB 3.42Å; L92-V97 PolarHBondContact O-N 2.94Å; L92-F121 HydrophobicContact CD2-CE1 3.71Å; L92-F121 HydrophobicContact CD2-CZ 4Å; L92-F121 HydrophobicContact CG-CE1 4.38Å; L92-F121 HydrophobicContact CG-CZ 4.18Å; L92-Y125 HydrophobicContact CD1-CD2 4.08Å; L92-Y125 HydrophobicContact CD1-CE2 3.74Å; L92-Y125 HydrophobicContact CD2-CD2 3.56Å; L92-Y125 HydrophobicContact CD2-CE2 3.52Å; L92-Y125 HydrophobicContact CD2-CG 4.33Å; L92-Y125 HydrophobicContact CG-CD2 4.31Å; L92-Y125 HydrophobicContact CG-CE2 4.26Å
93	S	96	Very high	93.2	Very high	63 Å²	63	62.6 Å²	62.6	44%	0.441	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-39.4	177.5	-60.2	0	0	0	0	112	N89 H90 Q95 G96 V97	N89-S93 WeakPolarHBondContact O-CB 3.35Å; N89-S93 PolarHBondContact O-N 2.92Å; N89-S93 PolarHBondContact O-OG 3.28Å; H90-S93 WeakPolarHBondContact O-CB 3.46Å; H90-S93 PolarHBondContact O-N 3.36Å; H90-S93 VanDerWaalsContact O-N 3.16Å; S93-Q95 PolarHBondContact O-N 3.43Å; S93-G96 PolarHBondContact O-N 3.35Å; S93-V97 WeakPolarHBondContact CA-O 3.29Å
94	V	95.1	Very high	92.5	Very high	96 Å²	96	60.7 Å²	60.7	58%	0.582	32%	0.315	S	S	*	.	H	α-helix	trans	-62.7	-31.7	174.2	171.4	0	0	0	0	111.8	H90 L91 L92 G96	H90-V94 WeakPolarHBondContact O-CG2 3.38Å; H90-V94 PolarHBondContact O-N 3.45Å; L91-V94 PolarHBondContact O-N 2.94Å; L92-V94 VanDerWaalsContact C-N 3.3Å; L92-V94 PolarHBondContact O-N 2.94Å; V94-G96 PolarHBondContact O-N 2.87Å
95	Q	94.7	Very high	91.4	Very high	60 Å²	60	67.1 Å²	67.1	28%	0.28	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	0.4	172.9	-59.5	-52.5	-56.5	0	0	113.9	L91 L92 S93 A112 L117 P118 F121	L91-Q95 WeakPolarHBondContact O-CG 3.45Å; L91-Q95 PolarHBondContact O-N 3.24Å; L92-Q95 CarbonylContact O-C 3.53Å; L92-Q95 WeakPolarHBondContact O-CA 3.45Å; L92-Q95 WeakPolarHBondContact O-CB 3.31Å; L92-Q95 PolarHBondContact O-N 2.94Å; S93-Q95 PolarHBondContact O-N 3.43Å; Q95-A112 WeakPolarHBondContact O-CB 3.39Å; Q95-L117 HydrophobicContact CB-CD2 3.47Å; Q95-L117 VanDerWaalsContact CB-CD2 3.47Å; Q95-L117 HydrophobicContact CG-CD2 3.69Å; Q95-P118 VanDerWaalsContact OE1-CD 3.23Å; Q95-F121 HydrophobicContact CG-CD1 4.14Å; Q95-F121 HydrophobicContact CG-CD2 4Å; Q95-F121 HydrophobicContact CG-CE1 3.88Å; Q95-F121 HydrophobicContact CG-CE2 3.71Å; Q95-F121 HydrophobicContact CG-CG 4.2Å; Q95-F121 HydrophobicContact CG-CZ 3.66Å
96	G	92.8	Very high	90.4	Very high	25 Å²	25	75 Å²	75	26%	0.258	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	14.6	-179.5	0	0	0	0	0	114.9	L92 S93 V94 A112	L92-G96 PolarHBondContact O-N 3.08Å; S93-G96 PolarHBondContact O-N 3.35Å; V94-G96 PolarHBondContact O-N 2.87Å; G96-A112 PolarHBondContact O-N 2.93Å
97	V	94.3	Very high	89.2	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.006	37%	0.373	C	S	.	.			trans	-81	120.2	171.6	-177.8	0	0	0	0	109.2	L72 L74 L92 S93 A112	L72-V97 HydrophobicContact CB-CB 4.44Å; L72-V97 HydrophobicContact CB-CG1 3.84Å; L72-V97 HydrophobicContact CB-CG2 3.72Å; L72-V97 HydrophobicContact CD2-CG2 4.06Å; L72-V97 HydrophobicContact CG-CG2 4.47Å; L74-V97 HydrophobicContact CD2-CG1 4.17Å; L92-V97 HydrophobicContact CB-CB 3.98Å; L92-V97 HydrophobicContact CB-CG1 4.38Å; L92-V97 HydrophobicContact CB-CG2 4.34Å; L92-V97 HydrophobicContact CD2-CB 4.23Å; L92-V97 HydrophobicContact CD2-CG1 4.37Å; L92-V97 HydrophobicContact CD2-CG2 3.83Å; L92-V97 WeakPolarHBondContact O-CB 3.42Å; L92-V97 PolarHBondContact O-N 2.94Å; S93-V97 WeakPolarHBondContact CA-O 3.29Å; V97-A112 HydrophobicContact CG2-CB 4.04Å
98	K	89.4	Confident	88	Confident	110 Å²	110	78 Å²	78	48%	0.478	40%	0.404	S	S	.	.			trans	-125.4	-18.4	-174.7	-61.3	176.3	-176.1	171.9	0	114.4	V107	K98-V107 HydrophobicContact CB-CG1 3.92Å; K98-V107 HydrophobicContact CD-CG1 4.4Å
99	L	92	Very high	87	Confident	8 Å²	8	80.9 Å²	80.9	4%	0.042	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-77.2	135.2	-175.2	-57.9	176.5	0	0	0	109.9	P71 T73 L74 D104 V107 H111	P71-L99 HydrophobicContact CB-CD1 3.62Å; P71-L99 HydrophobicContact CG-CD1 4.42Å; T73-L99 CarbonylContact C-O 3.39Å; T73-L99 WeakPolarHBondContact CA-O 3.49Å; T73-L99 WeakPolarHBondContact CB-O 3.42Å; T73-L99 HydrophobicContact CG2-CB 4.04Å; L74-L99 PolarHBondContact N-O 3.09Å; L99-D104 HydrophobicContact CD2-CB 3.95Å; L99-V107 HydrophobicContact CD2-CB 3.84Å; L99-V107 HydrophobicContact CD2-CG1 4.42Å; L99-V107 HydrophobicContact CD2-CG2 4.07Å; L99-H111 HydrophobicContact CD1-CB 4.18Å; L99-H111 HydrophobicContact CG-CB 4.47Å
100	E	90.2	Very high	86.2	Confident	131 Å²	131	84.5 Å²	84.5	61%	0.612	46%	0.461	S	S	*	.	S	Bend	trans	-85.6	-35	170	-66.2	-177.4	177.6	0	0	110	L74 D104	L74-E100 HydrophobicContact CD1-CG 4.27Å; E100-D104 WeakPolarHBondContact CA-OD2 3.48Å; E100-D104 PolarHBondContact N-OD2 2.97Å
101	Q	86.5	Confident	85.8	Confident	121 Å²	121	80.9 Å²	80.9	57%	0.565	44%	0.444	S	S	*	.	S	Bend	trans	-133.1	150.1	179	-55.2	-174.8	2.6	0	0	110.8	E103 D104	Q101-E103 PolarHBondContact O-N 3.43Å; Q101-E103 VanDerWaalsContact O-N 3.07Å; Q101-D104 PolarHBondContact N-OD2 3.46Å; Q101-D104 WeakPolarHBondContact O-CB 3.12Å; Q101-D104 PolarHBondContact O-N 3.19Å; Q101-D104 VanDerWaalsContact O-N 3.12Å
102	S	80.8	Confident	85.6	Confident	72 Å²	72	80 Å²	80	50%	0.503	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.5	-178.7	-50.2	0	0	0	0	113.4
103	E	79.1	Confident	85.4	Confident	165 Å²	165	81.1 Å²	81.1	77%	0.771	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	2.9	-177.8	-63.2	168.3	-161.5	0	0	113	Q101 T105	Q101-E103 PolarHBondContact O-N 3.43Å; Q101-E103 VanDerWaalsContact O-N 3.07Å; E103-T105 PolarHBondContact O-N 3.01Å
104	D	78.1	Confident	85.3	Confident	50 Å²	50	78.3 Å²	78.3	27%	0.267	43%	0.429	S	S	.	.			trans	-66.9	95.7	-176.6	-76.4	-21.1	0	0	0	111.7	L99 E100 Q101 V107	L99-D104 HydrophobicContact CD2-CB 3.95Å; E100-D104 WeakPolarHBondContact CA-OD2 3.48Å; E100-D104 PolarHBondContact N-OD2 2.97Å; Q101-D104 PolarHBondContact N-OD2 3.46Å; Q101-D104 WeakPolarHBondContact O-CB 3.12Å; Q101-D104 PolarHBondContact O-N 3.19Å; Q101-D104 VanDerWaalsContact O-N 3.12Å; D104-V107 HydrophobicContact CB-CG2 4.26Å
105	T	71.9	Confident	85.3	Confident	137 Å²	137	75.4 Å²	75.4	84%	0.84	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-13	178	52.4	0	0	0	0	113.9	E103	E103-T105 PolarHBondContact O-N 3.01Å
106	K	74	Confident	85.2	Confident	197 Å²	197	77.1 Å²	77.1	86%	0.857	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-16	-176	-65.3	-178.5	-178.1	174.6	0	113.7	E108	K106-E108 PolarHBondContact O-N 3.22Å
107	V	73.6	Confident	85.3	Confident	48 Å²	48	76.1 Å²	76.1	29%	0.291	41%	0.407	S	S	.	.			trans	-91.1	103.4	-176.7	-166.4	0	0	0	0	109	K98 L99 D104 H111	K98-V107 HydrophobicContact CB-CG1 3.92Å; K98-V107 HydrophobicContact CD-CG1 4.4Å; L99-V107 HydrophobicContact CD2-CB 3.84Å; L99-V107 HydrophobicContact CD2-CG1 4.42Å; L99-V107 HydrophobicContact CD2-CG2 4.07Å; D104-V107 HydrophobicContact CB-CG2 4.26Å; V107-H111 PolarHBondContact O-CE1 3.45Å; V107-H111 PolarHBondContact O-NE2 2.97Å
108	E	72.3	Confident	85.5	Confident	175 Å²	175	77.1 Å²	77.1	82%	0.818	41%	0.414	S	S	*	.			trans	-73	152.3	177.6	-64.4	-176.4	175.9	0	0	112.5	K106	K106-E108 PolarHBondContact O-N 3.22Å
109	G	75.8	Confident	85.8	Confident	59 Å²	59	71.9 Å²	71.9	61%	0.608	39%	0.391	S	S	*	.	S	Bend	trans	105.1	-179.5	173.4	0	0	0	0	0	114.8	H111	G109-H111 PolarHBondContact O-CD2 2.94Å; G109-H111 PolarHBondContact O-NE2 3.2Å
110	S	82.2	Confident	86.1	Confident	111 Å²	111	72 Å²	72	78%	0.776	39%	0.392	S	S	*	.			trans	-73.3	134.7	174.6	57.8	0	0	0	0	110.6
111	H	87.7	Confident	86.5	Confident	41 Å²	41	66.4 Å²	66.4	19%	0.19	37%	0.365	C	S	.	.			trans	-110.7	133.8	178.2	-59.5	-59.3	0	0	0	109.9	P71 L99 V107 G109 C113	P71-H111 HydrophobicContact CB-CB 3.98Å; P71-H111 HydrophobicContact CG-CB 4.41Å; L99-H111 HydrophobicContact CD1-CB 4.18Å; L99-H111 HydrophobicContact CG-CB 4.47Å; V107-H111 PolarHBondContact O-CE1 3.45Å; V107-H111 PolarHBondContact O-NE2 2.97Å; G109-H111 PolarHBondContact O-CD2 2.94Å; G109-H111 PolarHBondContact O-NE2 3.2Å; H111-C113 PolarHBondContact O-N 3.22Å; H111-C113 PolarHBondContact O-SG 3.35Å
112	A	93	Very high	87.1	Confident	11 Å²	11	60.7 Å²	60.7	9%	0.091	34%	0.339	C	S	.	.			trans	-62.1	127	177.5	0	0	0	0	0	110.8	L72 Q95 G96 V97	L72-A112 WeakPolarHBondContact CD1-O 3.31Å; L72-A112 PolarHBondContact N-O 3.07Å; Q95-A112 WeakPolarHBondContact O-CB 3.39Å; G96-A112 PolarHBondContact O-N 2.93Å; V97-A112 HydrophobicContact CG2-CB 4.04Å
113	C	94.6	Very high	87.9	Confident	22 Å²	22	57.8 Å²	57.8	15%	0.149	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-100.3	169.5	176.3	-60.3	0	0	0	0	110.8	N69 K70 L72 H111 Y115 D116 L117	N69-C113 VanDerWaalsContact OD1-CB 3.29Å; N69-C113 WeakPolarHBondContact OD1-CB 3.28Å; K70-C113 WeakPolarHBondContact O-CA 3.31Å; L72-C113 WeakPolarHBondContact CD1-O 3.45Å; H111-C113 PolarHBondContact O-N 3.22Å; H111-C113 PolarHBondContact O-SG 3.35Å; C113-Y115 PolarHBondContact O-N 2.91Å; C113-Y115 VanDerWaalsContact O-N 3.11Å; C113-D116 WeakPolarHBondContact CB-OD2 3.34Å; C113-D116 PolarHBondContact N-OD2 3.33Å; C113-D116 PolarHBondContact O-N 2.97Å; C113-D116 VanDerWaalsContact O-N 3.12Å; C113-L117 WeakPolarHBondContact O-CD1 3.39Å
114	W	94.4	Very high	88.8	Confident	5 Å²	5	50 Å²	50	2%	0.019	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-36.3	-176.7	-76.6	96.8	0	0	0	113.9	W22 L62 I66 N69 K70 L72 Y125 L126	W22-W114 AromaticContact CZ3-CE3 3.96Å; W22-W114 HydrophobicContact CZ3-CE3 3.96Å; W22-W114 HydrophobicContact CZ3-CZ3 4.12Å; L62-W114 HydrophobicContact CD1-CH2 4.05Å; L62-W114 HydrophobicContact CD1-CZ2 3.58Å; I66-W114 HydrophobicContact CD1-CH2 4.22Å; I66-W114 HydrophobicContact CD1-CZ2 4.26Å; I66-W114 HydrophobicContact CD1-CZ3 4.49Å; I66-W114 HydrophobicContact CG1-CD2 3.77Å; I66-W114 HydrophobicContact CG1-CE3 4.08Å; I66-W114 HydrophobicContact CG1-CG 4.3Å; I66-W114 HydrophobicContact CG1-CH2 4.04Å; I66-W114 HydrophobicContact CG1-CZ2 3.74Å; I66-W114 HydrophobicContact CG1-CZ3 4.19Å; N69-W114 PolarHBondContact OD1-N 3.09Å; N69-W114 VanDerWaalsContact OD1-N 3.09Å; K70-W114 PolarHBondContact O-N 3.41Å; L72-W114 HydrophobicContact CD1-CB 4.38Å; L72-W114 HydrophobicContact CD1-CD2 4.17Å; L72-W114 HydrophobicContact CD1-CG 3.99Å; L72-W114 HydrophobicContact CG-CD2 4.46Å; W114-Y125 HydrophobicContact CE3-CD1 4.39Å; W114-Y125 AromaticContact CH2-CD1 3.38Å; W114-Y125 HydrophobicContact CH2-CD1 3.38Å; W114-Y125 AromaticContact CH2-CE1 3.39Å; W114-Y125 HydrophobicContact CH2-CE1 3.39Å; W114-Y125 HydrophobicContact CZ2-CD1 4.08Å; W114-Y125 AromaticContact CZ2-CE1 3.62Å; W114-Y125 HydrophobicContact CZ2-CE1 3.62Å; W114-Y125 AromaticContact CZ3-CD1 3.56Å; W114-Y125 HydrophobicContact CZ3-CD1 3.56Å; W114-Y125 AromaticContact CZ3-CE1 3.99Å; W114-Y125 HydrophobicContact CZ3-CE1 3.99Å; W114-L126 HydrophobicContact CH2-CB 4.3Å; W114-L126 HydrophobicContact CH2-CD1 4.15Å; W114-L126 HydrophobicContact CZ3-CB 4.05Å; W114-L126 HydrophobicContact CZ3-CD1 4.46Å
115	Y	94.7	Very high	89.8	Confident	34 Å²	34	47.7 Å²	47.7	13%	0.133	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.9	-172.7	-56.8	-1.6	0	0	0	112.9	F8 I18 I66 N69 C113 L117	F8-Y115 AromaticContact CD1-CD2 3.95Å; F8-Y115 HydrophobicContact CD1-CD2 3.95Å; F8-Y115 HydrophobicContact CD1-CG 4.04Å; F8-Y115 HydrophobicContact CD2-CD1 4.5Å; F8-Y115 HydrophobicContact CD2-CG 4.4Å; F8-Y115 AromaticContact CE1-CD2 3.7Å; F8-Y115 HydrophobicContact CE1-CD2 3.7Å; F8-Y115 HydrophobicContact CE1-CE2 4.15Å; F8-Y115 HydrophobicContact CE1-CG 4.24Å; F8-Y115 HydrophobicContact CE2-CD2 4.31Å; F8-Y115 HydrophobicContact CE2-CE2 4.25Å; F8-Y115 HydrophobicContact CG-CD2 4.38Å; F8-Y115 HydrophobicContact CG-CG 4.11Å; F8-Y115 AromaticContact CZ-CD2 3.87Å; F8-Y115 HydrophobicContact CZ-CD2 3.87Å; F8-Y115 AromaticContact CZ-CE2 3.86Å; F8-Y115 HydrophobicContact CZ-CE2 3.86Å; F8-Y115 HydrophobicContact CZ-CG 4.46Å; I18-Y115 HydrophobicContact CD1-CD1 4.32Å; I18-Y115 HydrophobicContact CG2-CD1 4Å; I18-Y115 HydrophobicContact CG2-CE1 3.29Å; I66-Y115 WeakPolarHBondContact O-CE1 3.46Å; I66-Y115 PolarHBondContact O-OH 3.08Å; N69-Y115 HydrophobicContact CB-CD1 4.3Å; N69-Y115 HydrophobicContact CB-CD2 3.82Å; N69-Y115 HydrophobicContact CB-CE1 4.17Å; N69-Y115 HydrophobicContact CB-CE2 3.76Å; N69-Y115 HydrophobicContact CB-CG 4.09Å; N69-Y115 VanDerWaalsContact CG-CG 3.48Å; N69-Y115 WeakPolarHBondContact OD1-CB 3.21Å; N69-Y115 WeakPolarHBondContact OD1-CD1 3.4Å; N69-Y115 VanDerWaalsContact OD1-CG 3.28Å; N69-Y115 PolarHBondContact OD1-N 3.24Å; C113-Y115 PolarHBondContact O-N 2.91Å; C113-Y115 VanDerWaalsContact O-N 3.11Å; Y115-L117 VanDerWaalsContact C-N 3.34Å
116	D	92.4	Very high	91	Very high	97 Å²	97	41.2 Å²	41.2	52%	0.519	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-16.2	-179.1	-58.9	-33.5	0	0	0	112.6	C113	C113-D116 WeakPolarHBondContact CB-OD2 3.34Å; C113-D116 PolarHBondContact N-OD2 3.33Å; C113-D116 PolarHBondContact O-N 2.97Å; C113-D116 VanDerWaalsContact O-N 3.12Å
117	L	95.1	Very high	92.2	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	19%	0.189	C	C	.	.	S	Bend	trans	-86.4	153.2	-169.4	-68	146.3	0	0	0	112.4	L72 Q95 C113 Y115 W119 F121 A122	L72-L117 HydrophobicContact CD1-CD1 3.55Å; L72-L117 HydrophobicContact CD2-CD1 3.35Å; L72-L117 HydrophobicContact CG-CD1 4.1Å; Q95-L117 HydrophobicContact CB-CD2 3.47Å; Q95-L117 VanDerWaalsContact CB-CD2 3.47Å; Q95-L117 HydrophobicContact CG-CD2 3.69Å; C113-L117 WeakPolarHBondContact O-CD1 3.39Å; Y115-L117 VanDerWaalsContact C-N 3.34Å; L117-W119 PolarHBondContact O-N 3.12Å; L117-F121 HydrophobicContact CD2-CD1 3.74Å; L117-F121 HydrophobicContact CD2-CE1 4.03Å; L117-A122 HydrophobicContact CB-CB 4Å; L117-A122 HydrophobicContact CD1-CB 4.38Å
118	P	97	Very high	93.3	Very high	21 Å²	21	29.9 Å²	29.9	14%	0.136	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-53.3	138.7	160.9	-23	34	0	0	0	111	K5 Q95 L120 F121 A122	K5-P118 HydrophobicContact CB-CB 4.27Å; K5-P118 HydrophobicContact CD-CB 3.85Å; K5-P118 HydrophobicContact CD-CG 4.06Å; Q95-P118 VanDerWaalsContact OE1-CD 3.23Å; P118-L120 PolarHBondContact O-N 3.48Å; P118-F121 HydrophobicContact CB-CB 4.26Å; P118-F121 WeakPolarHBondContact O-CA 3.38Å; P118-F121 VanDerWaalsContact O-CB 3.27Å; P118-F121 WeakPolarHBondContact O-CB 3.49Å; P118-F121 PolarHBondContact O-N 3.05Å; P118-A122 PolarHBondContact O-N 3.37Å
119	W	97.5	Very high	94.5	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-54.4	-169	172.9	-130.5	0	0	0	113.2	L6 F13 A14 T17 I18 W22 L117 F121 A122 E123	L6-W119 HydrophobicContact CB-CB 4.05Å; L6-W119 WeakPolarHBondContact O-CB 3.42Å; L6-W119 PolarHBondContact O-N 2.92Å; F13-W119 HydrophobicContact CD1-CZ2 4.44Å; F13-W119 AromaticContact CD1-NE1 3.39Å; F13-W119 AromaticContact CE1-CE2 4Å; F13-W119 HydrophobicContact CE1-CZ2 4.05Å; F13-W119 AromaticContact CE1-NE1 3.32Å; F13-W119 VanDerWaalsContact CE1-NE1 3.32Å; A14-W119 HydrophobicContact CB-CB 4.2Å; A14-W119 HydrophobicContact CB-CD2 3.34Å; A14-W119 HydrophobicContact CB-CE3 3.68Å; A14-W119 HydrophobicContact CB-CG 3.56Å; A14-W119 HydrophobicContact CB-CZ2 4.28Å; A14-W119 HydrophobicContact CB-CZ3 4.28Å; T17-W119 HydrophobicContact CG2-CH2 3.5Å; T17-W119 HydrophobicContact CG2-CZ2 3.66Å; I18-W119 HydrophobicContact CD1-CE3 3.9Å; I18-W119 HydrophobicContact CD1-CH2 4.39Å; I18-W119 HydrophobicContact CD1-CZ3 3.42Å; I18-W119 VanDerWaalsContact CD1-CZ3 3.42Å; I18-W119 HydrophobicContact CG1-CE3 4.39Å; I18-W119 HydrophobicContact CG1-CH2 3.98Å; I18-W119 HydrophobicContact CG1-CZ3 3.45Å; I18-W119 VanDerWaalsContact CG1-CZ3 3.45Å; W22-W119 AromaticContact CE2-CH2 3.66Å; W22-W119 HydrophobicContact CH2-CE3 4.45Å; W22-W119 AromaticContact CH2-CH2 3.92Å; W22-W119 HydrophobicContact CH2-CH2 3.92Å; W22-W119 AromaticContact CH2-CZ3 3.45Å; W22-W119 HydrophobicContact CH2-CZ3 3.45Å; W22-W119 VanDerWaalsContact CH2-CZ3 3.45Å; W22-W119 HydrophobicContact CZ2-CE3 4.4Å; W22-W119 AromaticContact CZ2-CH2 3.21Å; W22-W119 HydrophobicContact CZ2-CH2 3.21Å; W22-W119 HydrophobicContact CZ2-CZ2 4.32Å; W22-W119 AromaticContact CZ2-CZ3 3.25Å; W22-W119 HydrophobicContact CZ2-CZ3 3.25Å; W22-W119 HydrophobicContact CZ3-CZ3 4.35Å; L117-W119 PolarHBondContact O-N 3.12Å; W119-F121 PolarHBondContact O-N 3.27Å; W119-F121 VanDerWaalsContact O-N 3.11Å; W119-A122 HydrophobicContact CE3-CB 4.48Å; W119-A122 PolarHBondContact O-N 3.11Å; W119-A122 VanDerWaalsContact O-N 3.14Å; W119-E123 HydrophobicContact CH2-CB 4.29Å; W119-E123 HydrophobicContact CH2-CG 4.4Å; W119-E123 HydrophobicContact CZ2-CB 4.35Å; W119-E123 HydrophobicContact CZ2-CG 4.33Å; W119-E123 HydrophobicContact CZ3-CB 4.4Å; W119-E123 WeakPolarHBondContact O-CB 3.26Å; W119-E123 PolarHBondContact O-N 2.93Å
120	L	98.1	Very high	95.6	Very high	10 Å²	10	19.5 Å²	19.5	5%	0.052	11%	0.11	C	C	.	.	H	α-helix	trans	-50.8	-37.1	173.6	-179.3	62.6	0	0	0	113	P118 C124 T352 L380 K384 D388	P118-L120 PolarHBondContact O-N 3.48Å; L120-C124 WeakPolarHBondContact O-CB 3.39Å; L120-C124 PolarHBondContact O-N 3.2Å; L120-C124 VanDerWaalsContact O-N 3.08Å; L120-C124 PolarHBondContact O-SG 3.27Å; L120-C124 VanDerWaalsContact O-SG 3.32Å; L120-T352 HydrophobicContact CD2-CG2 4.05Å; L120-L380 HydrophobicContact CD1-CD1 3.63Å; L120-K384 HydrophobicContact CD1-CG 4.39Å; L120-K384 HydrophobicContact CD2-CG 4.06Å; L120-D388 HydrophobicContact CB-CB 3.82Å; L120-D388 VanDerWaalsContact CB-OD2 3.3Å; L120-D388 WeakPolarHBondContact CB-OD2 3.39Å; L120-D388 HydrophobicContact CD2-CB 4.09Å; L120-D388 PolarHBondContact N-OD2 3.31Å; L120-D388 VanDerWaalsContact N-OD2 3.11Å
121	F	98.3	Very high	96.3	Very high	14 Å²	14	14.6 Å²	14.6	6%	0.061	8%	0.075	C	C	.	.	H	α-helix	trans	-69.4	-51.3	179.7	-168	-74.6	0	0	0	111.3	W88 L91 L92 Q95 L117 P118 W119 E123 C124 Y125 S350	W88-F121 HydrophobicContact CZ3-CZ 4.39Å; L91-F121 HydrophobicContact CB-CE2 3.94Å; L91-F121 HydrophobicContact CB-CZ 4.18Å; L92-F121 HydrophobicContact CD2-CE1 3.71Å; L92-F121 HydrophobicContact CD2-CZ 4Å; L92-F121 HydrophobicContact CG-CE1 4.38Å; L92-F121 HydrophobicContact CG-CZ 4.18Å; Q95-F121 HydrophobicContact CG-CD1 4.14Å; Q95-F121 HydrophobicContact CG-CD2 4Å; Q95-F121 HydrophobicContact CG-CE1 3.88Å; Q95-F121 HydrophobicContact CG-CE2 3.71Å; Q95-F121 HydrophobicContact CG-CG 4.2Å; Q95-F121 HydrophobicContact CG-CZ 3.66Å; L117-F121 HydrophobicContact CD2-CD1 3.74Å; L117-F121 HydrophobicContact CD2-CE1 4.03Å; P118-F121 HydrophobicContact CB-CB 4.26Å; P118-F121 WeakPolarHBondContact O-CA 3.38Å; P118-F121 VanDerWaalsContact O-CB 3.27Å; P118-F121 WeakPolarHBondContact O-CB 3.49Å; P118-F121 PolarHBondContact O-N 3.05Å; W119-F121 PolarHBondContact O-N 3.27Å; W119-F121 VanDerWaalsContact O-N 3.11Å; F121-E123 PolarHBondContact O-N 2.95Å; F121-C124 PolarHBondContact O-N 3.34Å; F121-Y125 VanDerWaalsContact O-CB 3.28Å; F121-Y125 WeakPolarHBondContact O-CB 3.44Å; F121-Y125 PolarHBondContact O-N 3.31Å; F121-S350 WeakPolarHBondContact CD2-OG 3.42Å; F121-S350 WeakPolarHBondContact CE2-OG 3.32Å
122	A	97.8	Very high	96.8	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.008	7%	0.067	C	C	.	.	H	α-helix	trans	-56.6	-42.4	179.3	0	0	0	0	0	111.3	W22 L117 P118 W119 Y125 L126	W22-A122 HydrophobicContact CH2-CB 4.15Å; L117-A122 HydrophobicContact CB-CB 4Å; L117-A122 HydrophobicContact CD1-CB 4.38Å; P118-A122 PolarHBondContact O-N 3.37Å; W119-A122 HydrophobicContact CE3-CB 4.48Å; W119-A122 PolarHBondContact O-N 3.11Å; W119-A122 VanDerWaalsContact O-N 3.14Å; A122-Y125 PolarHBondContact O-N 2.9Å; A122-L126 PolarHBondContact O-N 3.46Å
123	E	98	Very high	97	Very high	11 Å²	11	13.1 Å²	13.1	5%	0.051	7%	0.067	C	C	.	.	H	α-helix	trans	-69.5	-47.6	-179.1	-168.7	175.4	-147	0	0	113.3	W22 W119 F121 Y125 L126 Y127 F291 R383	W22-E123 HydrophobicContact CH2-CB 4.44Å; W22-E123 VanDerWaalsContact CZ2-CA 3.45Å; W22-E123 HydrophobicContact CZ2-CB 3.72Å; W22-E123 HydrophobicContact CZ2-CG 3.81Å; W119-E123 HydrophobicContact CH2-CB 4.29Å; W119-E123 HydrophobicContact CH2-CG 4.4Å; W119-E123 HydrophobicContact CZ2-CB 4.35Å; W119-E123 HydrophobicContact CZ2-CG 4.33Å; W119-E123 HydrophobicContact CZ3-CB 4.4Å; W119-E123 WeakPolarHBondContact O-CB 3.26Å; W119-E123 PolarHBondContact O-N 2.93Å; F121-E123 PolarHBondContact O-N 2.95Å; E123-Y125 VanDerWaalsContact C-N 3.25Å; E123-Y125 PolarHBondContact O-N 2.83Å; E123-L126 WeakPolarHBondContact O-CB 3.38Å; E123-L126 PolarHBondContact O-N 3.42Å; E123-Y127 HydrophobicContact CG-CE2 4.34Å; E123-Y127 WeakPolarHBondContact O-CD2 3.33Å; E123-Y127 PolarHBondContact O-N 3.15Å; E123-F291 HydrophobicContact CG-CE1 3.64Å; E123-F291 HydrophobicContact CG-CZ 3.71Å; E123-R383 IonicContact OE1-NH1 2.64Å; E123-R383 IonicContact OE2-CZ 3.98Å; E123-R383 VanDerWaalsContact OE2-CZ 3.24Å; E123-R383 IonicContact OE2-NH1 3.49Å; E123-R383 PolarHBondContact OE2-NH1 3.42Å; E123-R383 IonicContact OE2-NH2 2.81Å; E123-R383 PolarHBondContact OE2-NH2 2.96Å
124	C	98.5	Very high	97	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.5	-39.4	173.8	-72.8	0	0	0	0	111.3	W88 L120 F121 L126 Y127 R128 W290	W88-C124 HydrophobicContact CH2-CB 3.87Å; L120-C124 WeakPolarHBondContact O-CB 3.39Å; L120-C124 PolarHBondContact O-N 3.2Å; L120-C124 VanDerWaalsContact O-N 3.08Å; L120-C124 PolarHBondContact O-SG 3.27Å; L120-C124 VanDerWaalsContact O-SG 3.32Å; F121-C124 PolarHBondContact O-N 3.34Å; C124-L126 PolarHBondContact O-N 2.85Å; C124-Y127 PolarHBondContact O-N 3.35Å; C124-R128 PolarHBondContact O-N 2.94Å; C124-W290 HydrophobicContact CB-CH2 4.05Å; C124-W290 HydrophobicContact CB-CZ2 3.73Å; C124-W290 WeakPolarHBondContact O-CH2 3.23Å
125	Y	98.1	Very high	97.1	Very high	3 Å²	3	12.9 Å²	12.9	1%	0.012	7%	0.065	C	C	.	.	H	α-helix	trans	-63.3	-39.5	177.9	173.5	-99.9	0	0	0	112.5	L72 T73 L75 L92 W114 F121 A122 E123 Y127 R128 R129	L72-Y125 HydrophobicContact CB-CE1 4.35Å; L72-Y125 HydrophobicContact CD2-CD1 3.48Å; L72-Y125 VanDerWaalsContact CD2-CD1 3.48Å; L72-Y125 HydrophobicContact CD2-CD2 4.44Å; L72-Y125 HydrophobicContact CD2-CE1 3.3Å; L72-Y125 HydrophobicContact CD2-CE2 4.25Å; L72-Y125 HydrophobicContact CD2-CG 4.04Å; L72-Y125 HydrophobicContact CG-CD1 4.24Å; L72-Y125 HydrophobicContact CG-CE1 3.64Å; T73-Y125 PolarHBondContact N-OH 3.19Å; T73-Y125 PolarHBondContact O-OH 2.86Å; L75-Y125 HydrophobicContact CD2-CD2 4.5Å; L75-Y125 HydrophobicContact CD2-CE2 3.97Å; L75-Y125 HydrophobicContact CG-CE2 4.37Å; L92-Y125 HydrophobicContact CD1-CD2 4.08Å; L92-Y125 HydrophobicContact CD1-CE2 3.74Å; L92-Y125 HydrophobicContact CD2-CD2 3.56Å; L92-Y125 HydrophobicContact CD2-CE2 3.52Å; L92-Y125 HydrophobicContact CD2-CG 4.33Å; L92-Y125 HydrophobicContact CG-CD2 4.31Å; L92-Y125 HydrophobicContact CG-CE2 4.26Å; W114-Y125 HydrophobicContact CE3-CD1 4.39Å; W114-Y125 AromaticContact CH2-CD1 3.38Å; W114-Y125 HydrophobicContact CH2-CD1 3.38Å; W114-Y125 AromaticContact CH2-CE1 3.39Å; W114-Y125 HydrophobicContact CH2-CE1 3.39Å; W114-Y125 HydrophobicContact CZ2-CD1 4.08Å; W114-Y125 AromaticContact CZ2-CE1 3.62Å; W114-Y125 HydrophobicContact CZ2-CE1 3.62Å; W114-Y125 AromaticContact CZ3-CD1 3.56Å; W114-Y125 HydrophobicContact CZ3-CD1 3.56Å; W114-Y125 AromaticContact CZ3-CE1 3.99Å; W114-Y125 HydrophobicContact CZ3-CE1 3.99Å; F121-Y125 VanDerWaalsContact O-CB 3.28Å; F121-Y125 WeakPolarHBondContact O-CB 3.44Å; F121-Y125 PolarHBondContact O-N 3.31Å; A122-Y125 PolarHBondContact O-N 2.9Å; E123-Y125 VanDerWaalsContact C-N 3.25Å; E123-Y125 PolarHBondContact O-N 2.83Å; Y125-Y127 VanDerWaalsContact C-N 3.35Å; Y125-Y127 PolarHBondContact O-N 3.02Å; Y125-R128 PolarHBondContact O-N 3.31Å; Y125-R129 HydrophobicContact CE1-CB 4.39Å; Y125-R129 VanDerWaalsContact O-CB 3.25Å; Y125-R129 WeakPolarHBondContact O-CB 3.46Å; Y125-R129 PolarHBondContact O-N 2.96Å; Y125-R129 PolarHBondContact OH-NE 3.16Å; Y125-R129 PolarHBondContact OH-NH2 3.34Å
126	L	98.1	Very high	97.1	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-51.6	-54.6	174.9	172.1	61.6	0	0	0	111.4	W22 L26 L62 I66 W114 A122 E123 C124 R128 R129 I130	W22-L126 HydrophobicContact CB-CD2 4.21Å; W22-L126 HydrophobicContact CD2-CD2 3.35Å; W22-L126 VanDerWaalsContact CE2-CD2 3.46Å; W22-L126 HydrophobicContact CE3-CD2 3.85Å; W22-L126 HydrophobicContact CG-CD2 3.51Å; W22-L126 HydrophobicContact CH2-CB 4.4Å; W22-L126 HydrophobicContact CH2-CD2 4.48Å; W22-L126 HydrophobicContact CZ2-CB 4.43Å; W22-L126 HydrophobicContact CZ2-CD2 4.09Å; W22-L126 HydrophobicContact CZ3-CD2 4.36Å; L26-L126 HydrophobicContact CD1-CD1 4.5Å; L26-L126 HydrophobicContact CD2-CD1 4.45Å; L62-L126 HydrophobicContact CD2-CD1 3.94Å; L62-L126 HydrophobicContact CG-CD1 4.31Å; I66-L126 HydrophobicContact CD1-CD1 3.42Å; I66-L126 VanDerWaalsContact CD1-CD1 3.42Å; W114-L126 HydrophobicContact CH2-CB 4.3Å; W114-L126 HydrophobicContact CH2-CD1 4.15Å; W114-L126 HydrophobicContact CZ3-CB 4.05Å; W114-L126 HydrophobicContact CZ3-CD1 4.46Å; A122-L126 PolarHBondContact O-N 3.46Å; E123-L126 WeakPolarHBondContact O-CB 3.38Å; E123-L126 PolarHBondContact O-N 3.42Å; C124-L126 PolarHBondContact O-N 2.85Å; L126-R128 PolarHBondContact O-N 2.81Å; L126-R129 WeakPolarHBondContact O-CB 3.28Å; L126-R129 PolarHBondContact O-N 3.05Å; L126-I130 HydrophobicContact CD1-CD1 4.46Å; L126-I130 HydrophobicContact CG-CD1 4.42Å; L126-I130 WeakPolarHBondContact O-CG1 3.4Å; L126-I130 PolarHBondContact O-N 3.33Å
127	Y	98.2	Very high	97.2	Very high	6 Å²	6	10.4 Å²	10.4	2%	0.024	5%	0.052	C	C	.	.	H	α-helix	trans	-69.2	-36.1	-177.2	-69.6	-75.3	0	0	0	111.8	E123 C124 Y125 R129 I130 I131 F145 F291 V292	E123-Y127 HydrophobicContact CG-CE2 4.34Å; E123-Y127 WeakPolarHBondContact O-CD2 3.33Å; E123-Y127 PolarHBondContact O-N 3.15Å; C124-Y127 PolarHBondContact O-N 3.35Å; Y125-Y127 VanDerWaalsContact C-N 3.35Å; Y125-Y127 PolarHBondContact O-N 3.02Å; Y127-R129 VanDerWaalsContact C-N 3.32Å; Y127-R129 PolarHBondContact O-N 3.41Å; Y127-I130 HydrophobicContact CD1-CD1 4.08Å; Y127-I130 PolarHBondContact O-N 3.41Å; Y127-I131 PolarHBondContact O-N 3.03Å; Y127-F145 HydrophobicContact CD1-CE2 4.37Å; Y127-F145 HydrophobicContact CD1-CZ 4.47Å; Y127-F145 HydrophobicContact CE1-CE2 4.43Å; Y127-F145 HydrophobicContact CE1-CZ 4.17Å; Y127-F291 HydrophobicContact CD2-CB 4.32Å; Y127-F291 AromaticContact CD2-CD1 3.81Å; Y127-F291 HydrophobicContact CD2-CD1 3.81Å; Y127-F291 AromaticContact CD2-CD2 3.69Å; Y127-F291 HydrophobicContact CD2-CD2 3.69Å; Y127-F291 AromaticContact CD2-CE1 3.98Å; Y127-F291 HydrophobicContact CD2-CE1 3.98Å; Y127-F291 AromaticContact CD2-CE2 3.85Å; Y127-F291 HydrophobicContact CD2-CE2 3.85Å; Y127-F291 AromaticContact CD2-CG 3.67Å; Y127-F291 HydrophobicContact CD2-CG 3.67Å; Y127-F291 AromaticContact CD2-CZ 3.99Å; Y127-F291 HydrophobicContact CD2-CZ 3.99Å; Y127-F291 VanDerWaalsContact CE1-C 3.46Å; Y127-F291 VanDerWaalsContact CE1-CA 3.44Å; Y127-F291 HydrophobicContact CE1-CB 4.44Å; Y127-F291 HydrophobicContact CE2-CB 4.24Å; Y127-F291 AromaticContact CE2-CD1 3.42Å; Y127-F291 HydrophobicContact CE2-CD1 3.42Å; Y127-F291 VanDerWaalsContact CE2-CD1 3.42Å; Y127-F291 HydrophobicContact CE2-CD2 4.18Å; Y127-F291 AromaticContact CE2-CE1 3.71Å; Y127-F291 HydrophobicContact CE2-CE1 3.71Å; Y127-F291 HydrophobicContact CE2-CE2 4.41Å; Y127-F291 AromaticContact CE2-CG 3.69Å; Y127-F291 HydrophobicContact CE2-CG 3.69Å; Y127-F291 HydrophobicContact CE2-CZ 4.2Å; Y127-F291 HydrophobicContact CG-CB 4.47Å; Y127-F291 HydrophobicContact CG-CD2 4.14Å; Y127-F291 HydrophobicContact CG-CG 4.21Å; Y127-V292 HydrophobicContact CE1-CG2 4.19Å
128	R	98	Very high	97.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64	-37.2	173.6	-173.2	57.2	-175.4	75.7	2.8	112.8	L75 F77 S78 E84 W88 C124 Y125 L126 I131 D132 W290	L75-R128 HydrophobicContact CD1-CG 3.44Å; L75-R128 VanDerWaalsContact CD1-CG 3.44Å; L75-R128 HydrophobicContact CD2-CG 4.37Å; F77-R128 PolarHBondContact O-NH1 2.95Å; F77-R128 PolarHBondContact O-NH2 3.33Å; S78-R128 PolarHBondContact OG-NH2 3Å; E84-R128 IonicContact OE1-CZ 3.58Å; E84-R128 IonicContact OE1-NE 3.91Å; E84-R128 PolarHBondContact OE1-NE 3.35Å; E84-R128 IonicContact OE1-NH2 3.65Å; E84-R128 PolarHBondContact OE1-NH2 3.21Å; E84-R128 IonicContact OE2-CZ 3.76Å; E84-R128 IonicContact OE2-NE 2.62Å; E84-R128 IonicContact OE2-NH2 3.24Å; E84-R128 PolarHBondContact OE2-NH2 3.2Å; W88-R128 HydrophobicContact CD2-CG 4.12Å; W88-R128 HydrophobicContact CG-CG 4.42Å; W88-R128 HydrophobicContact CH2-CB 4.24Å; W88-R128 HydrophobicContact CZ2-CB 3.92Å; W88-R128 HydrophobicContact CZ2-CG 4.05Å; C124-R128 PolarHBondContact O-N 2.94Å; Y125-R128 PolarHBondContact O-N 3.31Å; L126-R128 PolarHBondContact O-N 2.81Å; R128-I131 PolarHBondContact O-N 2.51Å; R128-D132 PolarHBondContact O-N 3.19Å; R128-W290 HydrophobicContact CB-CH2 4Å; R128-W290 HydrophobicContact CB-CZ3 3.74Å
129	R	97.9	Very high	96.8	Very high	16 Å²	16	11.9 Å²	11.9	6%	0.06	7%	0.068	C	C	.	.	H	α-helix	trans	-66.6	-36.8	175.6	177	57.4	65.7	169.9	6.6	111.8	L62 T73 L74 Y125 L126 Y127 I131 D132 M133	L62-R129 HydrophobicContact CD1-CG 3.89Å; L62-R129 HydrophobicContact CD2-CG 4.12Å; T73-R129 PolarHBondContact O-NH2 3.3Å; T73-R129 PolarHBondContact OG1-NH1 2.94Å; T73-R129 PolarHBondContact OG1-NH2 3.46Å; L74-R129 VanDerWaalsContact C-NH2 3.25Å; L74-R129 PolarHBondContact O-NH1 3.07Å; L74-R129 PolarHBondContact O-NH2 2.9Å; Y125-R129 HydrophobicContact CE1-CB 4.39Å; Y125-R129 VanDerWaalsContact O-CB 3.25Å; Y125-R129 WeakPolarHBondContact O-CB 3.46Å; Y125-R129 PolarHBondContact O-N 2.96Å; Y125-R129 PolarHBondContact OH-NE 3.16Å; Y125-R129 PolarHBondContact OH-NH2 3.34Å; L126-R129 WeakPolarHBondContact O-CB 3.28Å; L126-R129 PolarHBondContact O-N 3.05Å; Y127-R129 VanDerWaalsContact C-N 3.32Å; Y127-R129 PolarHBondContact O-N 3.41Å; R129-I131 VanDerWaalsContact C-N 3.29Å; R129-I131 PolarHBondContact O-N 2.94Å; R129-D132 IonicContact CZ-OD2 3.72Å; R129-D132 IonicContact NH1-OD2 3.8Å; R129-D132 PolarHBondContact NH1-OD2 3.19Å; R129-D132 WeakPolarHBondContact O-CB 3.36Å; R129-D132 PolarHBondContact O-N 3.16Å; R129-M133 HydrophobicContact CG-CE 4.1Å; R129-M133 WeakPolarHBondContact O-CG 3.17Å; R129-M133 PolarHBondContact O-N 3.34Å
130	I	98	Very high	96.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-59.3	-44.3	171.9	-67	167.9	0	0	0	110	L26 L29 L62 L126 Y127 M133 V134 P144 F145	L26-I130 HydrophobicContact CD2-CD1 3.8Å; L26-I130 HydrophobicContact CD2-CG1 4.33Å; L29-I130 HydrophobicContact CD2-CD1 4.4Å; L29-I130 HydrophobicContact CD2-CG2 4.22Å; L62-I130 HydrophobicContact CD2-CG1 3.91Å; L126-I130 HydrophobicContact CD1-CD1 4.46Å; L126-I130 HydrophobicContact CG-CD1 4.42Å; L126-I130 WeakPolarHBondContact O-CG1 3.4Å; L126-I130 PolarHBondContact O-N 3.33Å; Y127-I130 HydrophobicContact CD1-CD1 4.08Å; Y127-I130 PolarHBondContact O-N 3.41Å; I130-M133 WeakPolarHBondContact O-CB 3.36Å; I130-M133 PolarHBondContact O-N 2.89Å; I130-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 PolarHBondContact O-N 3.02Å; I130-P144 HydrophobicContact CG2-CG 4.21Å; I130-F145 HydrophobicContact CD1-CZ 4.28Å
131	I	97.7	Very high	95.9	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.041	12%	0.121	C	C	.	.	H	α-helix	trans	-68.2	-37.3	178.3	-57	-51.9	0	0	0	112.5	P79 Y127 R128 R129 M133 V134 V135 I288 P289	P79-I131 HydrophobicContact CG-CG2 3.96Å; Y127-I131 PolarHBondContact O-N 3.03Å; R128-I131 PolarHBondContact O-N 2.51Å; R129-I131 VanDerWaalsContact C-N 3.29Å; R129-I131 PolarHBondContact O-N 2.94Å; I131-M133 VanDerWaalsContact C-N 3.29Å; I131-M133 PolarHBondContact O-N 3.46Å; I131-V134 WeakPolarHBondContact O-CB 3.45Å; I131-V134 PolarHBondContact O-N 2.9Å; I131-V135 WeakPolarHBondContact O-CG2 3.38Å; I131-V135 PolarHBondContact O-N 2.86Å; I131-I288 HydrophobicContact CB-CD1 4.3Å; I131-I288 HydrophobicContact CG1-CD1 4.13Å; I131-I288 HydrophobicContact CG2-CB 4.43Å; I131-I288 HydrophobicContact CG2-CD1 4.13Å; I131-I288 HydrophobicContact CG2-CG2 4.5Å; I131-P289 HydrophobicContact CD1-CB 3.87Å; I131-P289 HydrophobicContact CD1-CG 4.16Å; I131-P289 WeakPolarHBondContact CD1-O 3.29Å; I131-P289 WeakPolarHBondContact CG1-O 3.49Å
132	D	96.8	Very high	95.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-55.6	-45.1	170.4	179.2	73.1	0	0	0	111.1	L75 S76 F77 R128 R129 V135 Q136	L75-D132 HydrophobicContact CD2-CB 3.9Å; S76-D132 PolarHBondContact N-OD1 2.75Å; F77-D132 PolarHBondContact N-OD1 3.06Å; R128-D132 PolarHBondContact O-N 3.19Å; R129-D132 IonicContact CZ-OD2 3.72Å; R129-D132 IonicContact NH1-OD2 3.8Å; R129-D132 PolarHBondContact NH1-OD2 3.19Å; R129-D132 WeakPolarHBondContact O-CB 3.36Å; R129-D132 PolarHBondContact O-N 3.16Å; D132-V135 PolarHBondContact O-N 2.81Å; D132-Q136 WeakPolarHBondContact O-CB 3.44Å; D132-Q136 PolarHBondContact O-N 2.86Å
133	M	96.9	Very high	95.5	Very high	19 Å²	19	23.8 Å²	23.8	9%	0.094	13%	0.126	C	C	.	.	H	α-helix	trans	-67.9	-34.8	176.2	-67.9	178.8	171.6	0	0	113.6	L55 R58 L62 R129 I130 I131 S137	L55-M133 HydrophobicContact CD1-CB 4.17Å; R58-M133 HydrophobicContact CB-CB 4.25Å; R58-M133 HydrophobicContact CB-CE 4.4Å; R58-M133 HydrophobicContact CB-CG 4.1Å; R58-M133 HydrophobicContact CB-SD 3.74Å; L62-M133 HydrophobicContact CB-CE 3.82Å; L62-M133 HydrophobicContact CB-SD 4.11Å; L62-M133 HydrophobicContact CD1-CE 4.31Å; L62-M133 HydrophobicContact CD2-CE 4.27Å; L62-M133 HydrophobicContact CD2-SD 4.01Å; L62-M133 HydrophobicContact CG-CE 4.36Å; R129-M133 HydrophobicContact CG-CE 4.1Å; R129-M133 WeakPolarHBondContact O-CG 3.17Å; R129-M133 PolarHBondContact O-N 3.34Å; I130-M133 WeakPolarHBondContact O-CB 3.36Å; I130-M133 PolarHBondContact O-N 2.89Å; I131-M133 VanDerWaalsContact C-N 3.29Å; I131-M133 PolarHBondContact O-N 3.46Å; M133-S137 WeakPolarHBondContact O-CB 3.22Å; M133-S137 PolarHBondContact O-N 3.28Å; M133-S137 PolarHBondContact O-OG 2.95Å
134	V	96.5	Very high	95.3	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-50.2	174.1	166.6	0	0	0	0	110.2	L55 I130 I131 S137 G138 L139 F142 P144	L55-V134 HydrophobicContact CD1-CG2 3.83Å; L55-V134 HydrophobicContact CD2-CG2 3.94Å; I130-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 PolarHBondContact O-N 3.02Å; I131-V134 WeakPolarHBondContact O-CB 3.45Å; I131-V134 PolarHBondContact O-N 2.9Å; V134-S137 PolarHBondContact O-N 2.94Å; V134-G138 PolarHBondContact O-N 2.83Å; V134-L139 HydrophobicContact CG1-CB 3.9Å; V134-L139 WeakPolarHBondContact CG1-O 3.4Å; V134-L139 WeakPolarHBondContact O-CB 3.26Å; V134-L139 PolarHBondContact O-N 2.93Å; V134-F142 HydrophobicContact CG1-CB 4.1Å; V134-F142 HydrophobicContact CG1-CD1 4.5Å; V134-P144 HydrophobicContact CG2-CG 4.31Å
135	V	95.5	Very high	95.2	Very high	20 Å²	20	23.6 Å²	23.6	12%	0.121	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-43	178.4	-179.9	0	0	0	0	111	F77 P79 I131 D132 S137 G138	F77-V135 HydrophobicContact CB-CB 3.97Å; F77-V135 HydrophobicContact CB-CG1 3.76Å; F77-V135 HydrophobicContact CD1-CG1 4.45Å; F77-V135 HydrophobicContact CG-CG1 4.33Å; P79-V135 HydrophobicContact CB-CG2 4.17Å; P79-V135 HydrophobicContact CG-CG2 4.35Å; I131-V135 WeakPolarHBondContact O-CG2 3.38Å; I131-V135 PolarHBondContact O-N 2.86Å; D132-V135 PolarHBondContact O-N 2.81Å; V135-S137 PolarHBondContact O-N 3.38Å; V135-G138 WeakPolarHBondContact O-CA 3.37Å; V135-G138 PolarHBondContact O-N 3.18Å
136	Q	94	Very high	95	Very high	71 Å²	71	26.1 Å²	26.1	33%	0.332	14%	0.136	S	C	.	.	H	α-helix	trans	-59.6	-28.9	175.8	-171.7	177.4	35	0	0	112.7	R58 F77 D132 G138	R58-Q136 VanDerWaalsContact CZ-CD 3.4Å; F77-Q136 HydrophobicContact CD2-CB 3.67Å; F77-Q136 HydrophobicContact CD2-CG 4Å; F77-Q136 HydrophobicContact CE2-CB 3.72Å; F77-Q136 HydrophobicContact CE2-CG 3.5Å; F77-Q136 VanDerWaalsContact CE2-CG 3.5Å; F77-Q136 HydrophobicContact CG-CB 4.47Å; F77-Q136 HydrophobicContact CZ-CG 4.17Å; D132-Q136 WeakPolarHBondContact O-CB 3.44Å; D132-Q136 PolarHBondContact O-N 2.86Å; Q136-G138 VanDerWaalsContact C-N 3.26Å; Q136-G138 PolarHBondContact O-N 3.44Å
137	S	95.1	Very high	94.6	Very high	8 Å²	8	27.9 Å²	27.9	6%	0.056	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	5.9	175.4	-52	0	0	0	0	112.9	K51 L55 R58 M133 V134 V135	K51-S137 WeakPolarHBondContact CB-O 3.49Å; K51-S137 VanDerWaalsContact CG-O 3.22Å; K51-S137 WeakPolarHBondContact CG-O 3.4Å; L55-S137 WeakPolarHBondContact CA-OG 3.49Å; R58-S137 PolarHBondContact NE-OG 3.31Å; M133-S137 WeakPolarHBondContact O-CB 3.22Å; M133-S137 PolarHBondContact O-N 3.28Å; M133-S137 PolarHBondContact O-OG 2.95Å; V134-S137 PolarHBondContact O-N 2.94Å; V135-S137 PolarHBondContact O-N 3.38Å
138	G	92.3	Very high	94.3	Very high	37 Å²	37	29.3 Å²	29.3	38%	0.381	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	26.9	178.4	0	0	0	0	0	114.5	V134 V135 Q136	V134-G138 PolarHBondContact O-N 2.83Å; V135-G138 WeakPolarHBondContact O-CA 3.37Å; V135-G138 PolarHBondContact O-N 3.18Å; Q136-G138 VanDerWaalsContact C-N 3.26Å; Q136-G138 PolarHBondContact O-N 3.44Å
139	L	92.5	Very high	94.1	Very high	20 Å²	20	29.7 Å²	29.7	11%	0.105	15%	0.154	C	C	.	.			trans	-115.8	45.7	-175.1	-67.8	168	0	0	0	112.2	K51 L52 L55 V134 E141 F142	K51-L139 HydrophobicContact CB-CD1 4.21Å; K51-L139 HydrophobicContact CB-CD2 4.02Å; K51-L139 HydrophobicContact CB-CG 4Å; K51-L139 HydrophobicContact CD-CD2 4.37Å; L52-L139 HydrophobicContact CD2-CD1 3.75Å; L52-L139 HydrophobicContact CD2-CD2 4.43Å; L52-L139 HydrophobicContact CG-CD1 4.45Å; L55-L139 HydrophobicContact CB-CD1 4.13Å; L55-L139 HydrophobicContact CD2-CD1 3.76Å; V134-L139 HydrophobicContact CG1-CB 3.9Å; V134-L139 WeakPolarHBondContact CG1-O 3.4Å; V134-L139 WeakPolarHBondContact O-CB 3.26Å; V134-L139 PolarHBondContact O-N 2.93Å; L139-E141 PolarHBondContact O-N 2.82Å; L139-F142 HydrophobicContact CB-CB 3.76Å; L139-F142 HydrophobicContact CB-CG 4.44Å; L139-F142 HydrophobicContact CD1-CD1 4.3Å; L139-F142 VanDerWaalsContact O-CB 3.23Å; L139-F142 WeakPolarHBondContact O-CB 3.29Å; L139-F142 PolarHBondContact O-N 3.01Å
140	N	88.9	Confident	93.8	Very high	95 Å²	95	31.2 Å²	31.2	51%	0.508	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-33.8	-166.3	-58.6	8.9	0	0	0	116.1
141	E	86.4	Confident	93.3	Very high	139 Å²	139	35.3 Å²	35.3	65%	0.65	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.9	2.9	-177.4	-64.9	-58.9	133.4	0	0	113.8	L139 K298	L139-E141 PolarHBondContact O-N 2.82Å; E141-K298 PolarHBondContact O-NZ 3.05Å; E141-K298 WeakPolarHBondContact OE2-CE 3.14Å; E141-K298 IonicContact OE2-NZ 3.22Å; E141-K298 PolarHBondContact OE2-NZ 3.48Å
142	F	92.7	Very high	92.9	Very high	30 Å²	30	35 Å²	35	13%	0.132	18%	0.179	C	C	.	.			trans	-78.6	123.1	-175.2	-176.9	-116.2	0	0	0	111.2	I33 Y40 L52 L55 V134 L139 P144	I33-F142 HydrophobicContact CD1-CE1 4.31Å; I33-F142 HydrophobicContact CG1-CE1 4.21Å; I33-F142 HydrophobicContact CG1-CZ 4.26Å; Y40-F142 AromaticContact CD1-CE2 3.91Å; Y40-F142 HydrophobicContact CD1-CE2 3.91Å; Y40-F142 HydrophobicContact CD2-CE2 4.1Å; Y40-F142 HydrophobicContact CD2-CZ 4.31Å; Y40-F142 AromaticContact CE1-CE2 3.66Å; Y40-F142 HydrophobicContact CE1-CE2 3.66Å; Y40-F142 HydrophobicContact CE1-CZ 4.38Å; Y40-F142 AromaticContact CE2-CE2 3.88Å; Y40-F142 HydrophobicContact CE2-CE2 3.88Å; Y40-F142 AromaticContact CE2-CZ 3.86Å; Y40-F142 HydrophobicContact CE2-CZ 3.86Å; Y40-F142 HydrophobicContact CG-CE2 4.11Å; Y40-F142 AromaticContact CZ-CE2 3.63Å; Y40-F142 AromaticContact CZ-CZ 3.88Å; L52-F142 HydrophobicContact CD2-CE1 4.02Å; L52-F142 HydrophobicContact CD2-CE2 4.26Å; L52-F142 HydrophobicContact CD2-CZ 3.87Å; L55-F142 HydrophobicContact CD2-CD1 3.84Å; L55-F142 HydrophobicContact CD2-CE1 3.72Å; V134-F142 HydrophobicContact CG1-CB 4.1Å; V134-F142 HydrophobicContact CG1-CD1 4.5Å; L139-F142 HydrophobicContact CB-CB 3.76Å; L139-F142 HydrophobicContact CB-CG 4.44Å; L139-F142 HydrophobicContact CD1-CD1 4.3Å; L139-F142 VanDerWaalsContact O-CB 3.23Å; L139-F142 WeakPolarHBondContact O-CB 3.29Å; L139-F142 PolarHBondContact O-N 3.01Å; F142-P144 HydrophobicContact CD1-CB 4.11Å; F142-P144 HydrophobicContact CE1-CB 3.65Å; F142-P144 HydrophobicContact CZ-CB 4.41Å; F142-P144 WeakPolarHBondContact O-CD 3.45Å
143	D	95.4	Very high	92.6	Very high	11 Å²	11	35.2 Å²	35.2	6%	0.059	18%	0.18	C	C	.	.			trans	-96.7	107.1	166.4	179.4	-10.2	0	0	0	108.6	F145 F146 K149 P289	D143-F145 PolarHBondContact O-N 2.91Å; D143-F145 WeakPolarHBondContact OD1-CA 3.48Å; D143-F145 PolarHBondContact OD1-N 3.21Å; D143-F146 HydrophobicContact CB-CB 3.92Å; D143-F146 PolarHBondContact O-N 2.97Å; D143-F146 PolarHBondContact OD1-N 3.06Å; D143-K149 IonicContact OD2-NZ 2.82Å; D143-K149 PolarHBondContact OD2-NZ 3.5Å; D143-P289 HydrophobicContact CB-CB 4.14Å; D143-P289 HydrophobicContact CB-CG 3.65Å
144	P	94.7	Very high	92.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.9	-176.8	33	-38.2	0	0	0	112.6	L29 I33 I130 V134 F142	L29-P144 HydrophobicContact CD1-CB 3.69Å; L29-P144 HydrophobicContact CD1-CG 4.32Å; L29-P144 VanDerWaalsContact CD1-O 3.28Å; L29-P144 WeakPolarHBondContact CD1-O 3.41Å; L29-P144 HydrophobicContact CD2-CB 4.42Å; L29-P144 HydrophobicContact CG-CB 4.33Å; I33-P144 HydrophobicContact CD1-CB 4.1Å; I130-P144 HydrophobicContact CG2-CG 4.21Å; V134-P144 HydrophobicContact CG2-CG 4.31Å; F142-P144 HydrophobicContact CD1-CB 4.11Å; F142-P144 HydrophobicContact CE1-CB 3.65Å; F142-P144 HydrophobicContact CZ-CB 4.41Å; F142-P144 WeakPolarHBondContact O-CD 3.45Å
145	F	95.2	Very high	91.7	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.035	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-4.4	178.5	-58.3	-75.4	0	0	0	113.9	I25 L29 Y127 I130 D143 L147 K148 K149 F291 V292	I25-F145 HydrophobicContact CG2-CE1 4.19Å; I25-F145 HydrophobicContact CG2-CZ 4.5Å; L29-F145 HydrophobicContact CB-CE1 4.41Å; L29-F145 HydrophobicContact CD1-CD1 3.61Å; L29-F145 HydrophobicContact CD1-CE1 3.44Å; L29-F145 VanDerWaalsContact CD1-CE1 3.44Å; L29-F145 HydrophobicContact CD1-CE2 4.46Å; L29-F145 HydrophobicContact CD1-CG 4.22Å; L29-F145 HydrophobicContact CD1-CZ 3.91Å; L29-F145 HydrophobicContact CD2-CE1 3.93Å; L29-F145 HydrophobicContact CD2-CE2 4.31Å; L29-F145 HydrophobicContact CD2-CZ 3.64Å; L29-F145 HydrophobicContact CG-CE1 4.13Å; L29-F145 HydrophobicContact CG-CZ 4.34Å; Y127-F145 HydrophobicContact CD1-CE2 4.37Å; Y127-F145 HydrophobicContact CD1-CZ 4.47Å; Y127-F145 HydrophobicContact CE1-CE2 4.43Å; Y127-F145 HydrophobicContact CE1-CZ 4.17Å; I130-F145 HydrophobicContact CD1-CZ 4.28Å; D143-F145 PolarHBondContact O-N 2.91Å; D143-F145 WeakPolarHBondContact OD1-CA 3.48Å; D143-F145 PolarHBondContact OD1-N 3.21Å; F145-L147 VanDerWaalsContact C-N 3.35Å; F145-L147 PolarHBondContact O-N 3.22Å; F145-K148 WeakPolarHBondContact O-CA 3.48Å; F145-K148 VanDerWaalsContact O-CB 3.29Å; F145-K148 WeakPolarHBondContact O-CB 3.2Å; F145-K148 PolarHBondContact O-N 3.19Å; F145-K149 PolarHBondContact O-N 2.82Å; F145-F291 WeakPolarHBondContact CD2-O 3.47Å; F145-F291 WeakPolarHBondContact CE2-O 3.18Å; F145-V292 WeakPolarHBondContact CB-O 3.47Å; F145-V292 HydrophobicContact CD1-CG1 4.03Å; F145-V292 HydrophobicContact CE1-CG2 4.42Å
146	F	93.8	Very high	91.4	Very high	55 Å²	55	39.7 Å²	39.7	24%	0.241	20%	0.199	C	C	.	.	H	α-helix	trans	-55.1	-43.5	-173.8	178.3	-106.1	0	0	0	114.2	D143 K148 K149 K150 W302	D143-F146 HydrophobicContact CB-CB 3.92Å; D143-F146 PolarHBondContact O-N 2.97Å; D143-F146 PolarHBondContact OD1-N 3.06Å; F146-K148 VanDerWaalsContact C-N 3.27Å; F146-K148 PolarHBondContact O-N 3.47Å; F146-K149 WeakPolarHBondContact O-CB 3.34Å; F146-K149 PolarHBondContact O-N 2.56Å; F146-K150 PolarHBondContact O-N 3.35Å; F146-W302 HydrophobicContact CE2-CB 4.37Å; F146-W302 HydrophobicContact CE2-CG 4.1Å; F146-W302 AromaticContact CZ-CD1 3.74Å; F146-W302 HydrophobicContact CZ-CD2 4.47Å; F146-W302 HydrophobicContact CZ-CG 4.02Å
147	L	90.9	Very high	91.1	Very high	38 Å²	38	36.9 Å²	36.9	20%	0.199	19%	0.189	C	C	.	.	H	α-helix	trans	-65.6	-33.1	178.4	-68.2	-176.7	0	0	0	112.2	N36 Y40 F145 K150 H151	N36-L147 HydrophobicContact CB-CD1 3.4Å; N36-L147 WeakPolarHBondContact OD1-CD1 3.3Å; Y40-L147 HydrophobicContact CE1-CD1 4Å; Y40-L147 HydrophobicContact CE1-CG 4.21Å; Y40-L147 HydrophobicContact CE2-CD1 4.26Å; Y40-L147 WeakPolarHBondContact OH-CD1 3.41Å; Y40-L147 VanDerWaalsContact OH-CG 3.31Å; Y40-L147 WeakPolarHBondContact OH-CG 3.46Å; F145-L147 VanDerWaalsContact C-N 3.35Å; F145-L147 PolarHBondContact O-N 3.22Å; L147-K150 PolarHBondContact O-N 3.2Å; L147-H151 WeakPolarHBondContact O-CB 3.43Å; L147-H151 PolarHBondContact O-N 3.48Å
148	K	91.8	Very high	90.8	Very high	37 Å²	37	37.8 Å²	37.8	16%	0.161	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-44.8	174.5	-164.3	-178	-171.2	179.5	0	110.8	F145 F146 K150 H151 G152 L194 P198 V292	F145-K148 WeakPolarHBondContact O-CA 3.48Å; F145-K148 VanDerWaalsContact O-CB 3.29Å; F145-K148 WeakPolarHBondContact O-CB 3.2Å; F145-K148 PolarHBondContact O-N 3.19Å; F146-K148 VanDerWaalsContact C-N 3.27Å; F146-K148 PolarHBondContact O-N 3.47Å; K148-K150 VanDerWaalsContact C-N 3.34Å; K148-K150 PolarHBondContact O-N 3.47Å; K148-H151 PolarHBondContact O-N 2.66Å; K148-G152 PolarHBondContact O-N 3.3Å; K148-L194 HydrophobicContact CD-CB 4.49Å; K148-L194 HydrophobicContact CG-CD1 4.31Å; K148-L194 PolarHBondContact NZ-O 2.89Å; K148-P198 WeakPolarHBondContact CE-O 3.5Å; K148-P198 PolarHBondContact NZ-O 2.89Å; K148-V292 HydrophobicContact CD-CG1 3.8Å
149	K	93.3	Very high	90.8	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-46.5	174.4	-63.3	173.8	179.5	175	0	111.5	D143 F145 F146 H151 G152 F153 S258 V292 D294 D299	D143-K149 IonicContact OD2-NZ 2.82Å; D143-K149 PolarHBondContact OD2-NZ 3.5Å; F145-K149 PolarHBondContact O-N 2.82Å; F146-K149 WeakPolarHBondContact O-CB 3.34Å; F146-K149 PolarHBondContact O-N 2.56Å; K149-H151 PolarHBondContact O-N 3.05Å; K149-G152 PolarHBondContact O-N 3.39Å; K149-F153 PolarHBondContact O-N 3.43Å; K149-S258 WeakPolarHBondContact CD-OG 3.48Å; K149-V292 WeakPolarHBondContact CE-O 3.47Å; K149-D294 PolarHBondContact NZ-O 2.82Å; K149-D299 WeakPolarHBondContact CD-OD1 3.46Å; K149-D299 IonicContact NZ-OD1 3.57Å; K149-D299 PolarHBondContact NZ-OD1 3.37Å; K149-D299 IonicContact NZ-OD2 3.84Å; K149-D299 PolarHBondContact NZ-OD2 3.43Å
150	K	90.8	Very high	90.8	Very high	49 Å²	49	35.2 Å²	35.2	21%	0.213	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-44	177.1	-178.3	174	-177.9	167.2	0	112.3	F146 L147 K148 F153 K154 W302 E310	F146-K150 PolarHBondContact O-N 3.35Å; L147-K150 PolarHBondContact O-N 3.2Å; K148-K150 VanDerWaalsContact C-N 3.34Å; K148-K150 PolarHBondContact O-N 3.47Å; K150-F153 PolarHBondContact O-N 3.35Å; K150-K154 WeakPolarHBondContact O-CG 3.31Å; K150-K154 PolarHBondContact O-N 3.28Å; K150-W302 HydrophobicContact CB-CZ2 4.47Å; K150-W302 HydrophobicContact CD-CZ2 4.23Å; K150-W302 HydrophobicContact CG-CH2 4.26Å; K150-W302 HydrophobicContact CG-CZ2 3.83Å; K150-E310 WeakPolarHBondContact CE-OE2 3.36Å; K150-E310 IonicContact NZ-OE1 3.66Å; K150-E310 IonicContact NZ-OE2 3.67Å; K150-E310 PolarHBondContact NZ-OE2 3.14Å
151	H	88.7	Confident	90.9	Very high	87 Å²	87	31.4 Å²	31.4	40%	0.403	15%	0.152	S	C	.	.	H	α-helix	trans	-63.6	-45.5	176.3	-174.9	58.3	0	0	0	111.5	L147 K148 K149 F153 K154 N155	L147-H151 WeakPolarHBondContact O-CB 3.43Å; L147-H151 PolarHBondContact O-N 3.48Å; K148-H151 PolarHBondContact O-N 2.66Å; K149-H151 PolarHBondContact O-N 3.05Å; H151-F153 VanDerWaalsContact C-N 3.33Å; H151-F153 PolarHBondContact O-N 3.36Å; H151-K154 PolarHBondContact O-N 3.44Å; H151-K154 VanDerWaalsContact O-N 3.1Å; H151-N155 PolarHBondContact CE1-ND2 3.4Å; H151-N155 PolarHBondContact CE1-OD1 3.33Å; H151-N155 PolarHBondContact NE2-ND2 3.28Å; H151-N155 PolarHBondContact O-N 2.9Å
152	G	89.2	Confident	91.2	Very high	2 Å²	2	25 Å²	25	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-57.9	-42.2	175.5	0	0	0	0	0	113.2	K148 K149 K154 N155 A156	K148-G152 PolarHBondContact O-N 3.3Å; K149-G152 PolarHBondContact O-N 3.39Å; G152-K154 VanDerWaalsContact C-N 3.34Å; G152-K154 PolarHBondContact O-N 2.88Å; G152-N155 PolarHBondContact O-N 3.26Å; G152-A156 PolarHBondContact O-N 3.2Å
153	F	90.6	Very high	91.3	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.022	12%	0.116	C	C	.	.	H	α-helix	trans	-59.4	-43.8	174.4	-179.5	-85.5	0	0	0	112	K149 K150 H151 A156 I160 V263 W302 L303 M306 L311	K149-F153 PolarHBondContact O-N 3.43Å; K150-F153 PolarHBondContact O-N 3.35Å; H151-F153 VanDerWaalsContact C-N 3.33Å; H151-F153 PolarHBondContact O-N 3.36Å; F153-A156 PolarHBondContact O-N 3.01Å; F153-I160 HydrophobicContact CD2-CD1 3.9Å; F153-I160 HydrophobicContact CE1-CD1 4.41Å; F153-I160 HydrophobicContact CE2-CD1 3.74Å; F153-I160 HydrophobicContact CG-CD1 4.33Å; F153-I160 HydrophobicContact CZ-CD1 4.01Å; F153-V263 HydrophobicContact CE2-CG2 3.78Å; F153-W302 HydrophobicContact CB-CH2 4.13Å; F153-W302 HydrophobicContact CB-CZ3 4.21Å; F153-W302 AromaticContact CD1-CH2 3.81Å; F153-W302 HydrophobicContact CD1-CH2 3.81Å; F153-W302 HydrophobicContact CD1-CZ3 4.23Å; F153-W302 HydrophobicContact CD2-CZ3 4.14Å; F153-W302 HydrophobicContact CE1-CH2 4.39Å; F153-W302 AromaticContact CG-CH2 3.9Å; F153-W302 HydrophobicContact CG-CH2 3.9Å; F153-W302 AromaticContact CG-CZ3 3.93Å; F153-W302 HydrophobicContact CG-CZ3 3.93Å; F153-L303 HydrophobicContact CE2-CD1 4.08Å; F153-L303 HydrophobicContact CE2-CG 4.49Å; F153-M306 HydrophobicContact CD1-SD 4.28Å; F153-M306 HydrophobicContact CE1-CE 3.72Å; F153-M306 HydrophobicContact CE1-SD 3.9Å; F153-M306 HydrophobicContact CZ-CE 4.16Å; F153-L311 HydrophobicContact CE1-CD2 3.98Å
154	K	87.7	Confident	91.2	Very high	91 Å²	91	23.2 Å²	23.2	40%	0.396	11%	0.114	S	C	.	.	H	α-helix	trans	-64.4	-40.8	179.4	-70	-174.2	-179.5	-150	0	112.3	K150 H151 G152 A156 G157 E310	K150-K154 WeakPolarHBondContact O-CG 3.31Å; K150-K154 PolarHBondContact O-N 3.28Å; H151-K154 PolarHBondContact O-N 3.44Å; H151-K154 VanDerWaalsContact O-N 3.1Å; G152-K154 VanDerWaalsContact C-N 3.34Å; G152-K154 PolarHBondContact O-N 2.88Å; K154-A156 VanDerWaalsContact C-N 3.25Å; K154-A156 PolarHBondContact O-N 2.77Å; K154-G157 PolarHBondContact O-N 3.05Å; K154-E310 VanDerWaalsContact CE-O 3.26Å; K154-E310 WeakPolarHBondContact CE-O 3.34Å; K154-E310 PolarHBondContact NZ-O 2.82Å
155	N	86.8	Confident	91.1	Very high	41 Å²	41	25.1 Å²	25.1	22%	0.219	12%	0.123	C	C	.	.	H	α-helix	trans	-72.4	-18.7	-179.1	-66.8	-4.4	0	0	0	113.2	H151 G152 G157 G200 F202	H151-N155 PolarHBondContact CE1-ND2 3.4Å; H151-N155 PolarHBondContact CE1-OD1 3.33Å; H151-N155 PolarHBondContact NE2-ND2 3.28Å; H151-N155 PolarHBondContact O-N 2.9Å; G152-N155 PolarHBondContact O-N 3.26Å; N155-G157 VanDerWaalsContact C-N 3.33Å; N155-G200 WeakPolarHBondContact CB-O 3.35Å; N155-G200 PolarHBondContact ND2-O 3.19Å; N155-F202 HydrophobicContact CB-CD2 4.38Å
156	A	88.9	Confident	91	Very high	2 Å²	2	25 Å²	25	2%	0.017	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	11.8	178.1	0	0	0	0	0	114.2	G152 F153 K154 F159 I160 F192 F202 P260	G152-A156 PolarHBondContact O-N 3.2Å; F153-A156 PolarHBondContact O-N 3.01Å; K154-A156 VanDerWaalsContact C-N 3.25Å; K154-A156 PolarHBondContact O-N 2.77Å; A156-F159 PolarHBondContact O-N 2.96Å; A156-I160 HydrophobicContact CB-CD1 4.09Å; A156-I160 HydrophobicContact CB-CG1 4.39Å; A156-I160 WeakPolarHBondContact O-CG1 3.47Å; A156-I160 PolarHBondContact O-N 3.49Å; A156-I160 VanDerWaalsContact O-N 3.09Å; A156-F192 HydrophobicContact CB-CD1 3.89Å; A156-F192 HydrophobicContact CB-CE1 3.88Å; A156-F202 HydrophobicContact CB-CD2 4.47Å; A156-P260 HydrophobicContact CB-CB 3.78Å; A156-P260 HydrophobicContact CB-CG 3.63Å
157	G	88.5	Confident	91.1	Very high	12 Å²	12	22.5 Å²	22.5	12%	0.124	11%	0.112	C	C	.	.	H	α-helix	trans	-47.6	-47.8	-176.2	0	0	0	0	0	115.9	K154 N155 F159 I160 N161	K154-G157 PolarHBondContact O-N 3.05Å; N155-G157 VanDerWaalsContact C-N 3.33Å; G157-F159 PolarHBondContact O-N 2.82Å; G157-I160 PolarHBondContact O-N 2.92Å; G157-N161 VanDerWaalsContact O-CB 3.29Å; G157-N161 WeakPolarHBondContact O-CB 3.43Å; G157-N161 PolarHBondContact O-N 2.8Å
158	P	88	Confident	91.2	Very high	27 Å²	27	23.4 Å²	23.4	18%	0.175	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-41.1	-179.9	-22.8	31.7	0	0	0	114.1	N161 S162 Q204 I205 E206	P158-N161 PolarHBondContact O-N 2.8Å; P158-S162 WeakPolarHBondContact O-CB 3.4Å; P158-S162 PolarHBondContact O-N 2.94Å; P158-S162 PolarHBondContact O-OG 3.28Å; P158-Q204 VanDerWaalsContact CG-OE1 3.31Å; P158-I205 CarbonylContact C-O 3.58Å; P158-E206 HydrophobicContact CB-CB 3.88Å; P158-E206 HydrophobicContact CB-CG 4.16Å
159	F	91.1	Very high	91.2	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.013	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-47.8	176.4	174	-98.1	0	0	0	110.8	A156 G157 N161 S162 V163 A189 F192 I205 F207 F213 P260 A264	A156-F159 PolarHBondContact O-N 2.96Å; G157-F159 PolarHBondContact O-N 2.82Å; F159-N161 VanDerWaalsContact C-N 3.29Å; F159-N161 PolarHBondContact O-N 2.64Å; F159-S162 WeakPolarHBondContact O-CB 3.27Å; F159-S162 PolarHBondContact O-N 2.86Å; F159-V163 HydrophobicContact CD1-CG2 4.36Å; F159-V163 HydrophobicContact CD2-CG2 4.4Å; F159-V163 HydrophobicContact CE1-CG2 3.9Å; F159-V163 HydrophobicContact CE2-CG2 3.94Å; F159-V163 HydrophobicContact CZ-CG2 3.66Å; F159-V163 WeakPolarHBondContact O-CG2 3.33Å; F159-V163 PolarHBondContact O-N 3.27Å; F159-A189 HydrophobicContact CE1-CB 3.73Å; F159-A189 HydrophobicContact CZ-CB 3.77Å; F159-F192 HydrophobicContact CB-CE1 4.29Å; F159-F192 HydrophobicContact CB-CE2 4.24Å; F159-F192 HydrophobicContact CB-CZ 3.58Å; F159-F192 AromaticContact CD1-CE2 3.82Å; F159-F192 HydrophobicContact CD1-CE2 3.82Å; F159-F192 HydrophobicContact CD1-CZ 4Å; F159-F192 AromaticContact CD2-CE2 3.91Å; F159-F192 HydrophobicContact CD2-CE2 3.91Å; F159-F192 HydrophobicContact CD2-CZ 4.01Å; F159-F192 HydrophobicContact CE1-CE2 4.13Å; F159-F192 HydrophobicContact CE2-CE2 4.22Å; F159-F192 AromaticContact CG-CE2 3.7Å; F159-F192 HydrophobicContact CG-CE2 3.7Å; F159-F192 AromaticContact CG-CZ 3.58Å; F159-F192 HydrophobicContact CG-CZ 3.58Å; F159-F192 HydrophobicContact CZ-CE2 4.32Å; F159-I205 WeakPolarHBondContact CA-O 3.44Å; F159-I205 WeakPolarHBondContact CB-O 3.45Å; F159-I205 HydrophobicContact CD2-CB 4.32Å; F159-I205 HydrophobicContact CD2-CG2 3.97Å; F159-I205 PolarHBondContact N-O 3.24Å; F159-I205 VanDerWaalsContact N-O 3.09Å; F159-F207 AromaticContact CD2-CE1 3.91Å; F159-F207 HydrophobicContact CD2-CE1 3.91Å; F159-F207 HydrophobicContact CE2-CE1 4Å; F159-F207 HydrophobicContact CE2-CZ 4.47Å; F159-F213 HydrophobicContact CE2-CE2 4.41Å; F159-P260 HydrophobicContact CD1-CB 3.78Å; F159-P260 HydrophobicContact CE1-CB 4.1Å; F159-A264 HydrophobicContact CE1-CB 4.46Å
160	I	92.6	Very high	91.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-58.2	-45.5	177.9	-64.9	171.2	0	0	0	109.8	F153 A156 G157 S162 V163 L164 P260 V263 Y319	F153-I160 HydrophobicContact CD2-CD1 3.9Å; F153-I160 HydrophobicContact CE1-CD1 4.41Å; F153-I160 HydrophobicContact CE2-CD1 3.74Å; F153-I160 HydrophobicContact CG-CD1 4.33Å; F153-I160 HydrophobicContact CZ-CD1 4.01Å; A156-I160 HydrophobicContact CB-CD1 4.09Å; A156-I160 HydrophobicContact CB-CG1 4.39Å; A156-I160 WeakPolarHBondContact O-CG1 3.47Å; A156-I160 PolarHBondContact O-N 3.49Å; A156-I160 VanDerWaalsContact O-N 3.09Å; G157-I160 PolarHBondContact O-N 2.92Å; I160-S162 PolarHBondContact O-N 3.18Å; I160-V163 PolarHBondContact O-N 3.41Å; I160-L164 HydrophobicContact CG2-CD1 3.89Å; I160-L164 HydrophobicContact CG2-CG 4.32Å; I160-L164 WeakPolarHBondContact O-CB 3.38Å; I160-L164 VanDerWaalsContact O-CG 3.26Å; I160-L164 WeakPolarHBondContact O-CG 3.26Å; I160-L164 PolarHBondContact O-N 3.45Å; I160-P260 HydrophobicContact CD1-CB 4.25Å; I160-P260 HydrophobicContact CG1-CB 3.95Å; I160-V263 HydrophobicContact CD1-CG2 4.45Å; I160-V263 HydrophobicContact CG1-CG2 4.42Å; I160-V263 HydrophobicContact CG2-CG1 4.08Å; I160-V263 HydrophobicContact CG2-CG2 4.24Å; I160-Y319 HydrophobicContact CB-CE2 4.09Å; I160-Y319 HydrophobicContact CG2-CE2 3.72Å
161	N	91.9	Very high	91.1	Very high	15 Å²	15	29.4 Å²	29.4	8%	0.08	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-47.7	176.9	-172.4	50.2	0	0	0	111.6	G157 P158 F159 V163 L164 H165 Y319	G157-N161 VanDerWaalsContact O-CB 3.29Å; G157-N161 WeakPolarHBondContact O-CB 3.43Å; G157-N161 PolarHBondContact O-N 2.8Å; P158-N161 PolarHBondContact O-N 2.8Å; F159-N161 VanDerWaalsContact C-N 3.29Å; F159-N161 PolarHBondContact O-N 2.64Å; N161-V163 PolarHBondContact O-N 3.49Å; N161-L164 PolarHBondContact O-N 2.96Å; N161-H165 VanDerWaalsContact O-CB 3.25Å; N161-H165 WeakPolarHBondContact O-CB 3.46Å; N161-H165 PolarHBondContact O-N 3.09Å; N161-Y319 HydrophobicContact CB-CD2 3.57Å; N161-Y319 HydrophobicContact CB-CE2 4.09Å; N161-Y319 HydrophobicContact CB-CG 4.35Å
162	S	92.3	Very high	91.1	Very high	3 Å²	3	31 Å²	31	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-46.2	-179.9	-57.1	0	0	0	0	112.1	P158 F159 I160 H165 C166 F207	P158-S162 WeakPolarHBondContact O-CB 3.4Å; P158-S162 PolarHBondContact O-N 2.94Å; P158-S162 PolarHBondContact O-OG 3.28Å; F159-S162 WeakPolarHBondContact O-CB 3.27Å; F159-S162 PolarHBondContact O-N 2.86Å; I160-S162 PolarHBondContact O-N 3.18Å; S162-H165 PolarHBondContact O-N 2.74Å; S162-C166 PolarHBondContact O-N 3.39Å; S162-C166 PolarHBondContact O-SG 3.16Å; S162-F207 VanDerWaalsContact CB-O 3.31Å; S162-F207 WeakPolarHBondContact CB-O 3.47Å; S162-F207 PolarHBondContact OG-N 3.02Å; S162-F207 VanDerWaalsContact OG-N 3.09Å; S162-F207 PolarHBondContact OG-O 3.39Å
163	V	94.7	Very high	91.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.6	-43.2	179.8	179.9	0	0	0	0	111.5	F159 I160 N161 H165 C166 L167 A185 F207 C267	F159-V163 HydrophobicContact CD1-CG2 4.36Å; F159-V163 HydrophobicContact CD2-CG2 4.4Å; F159-V163 HydrophobicContact CE1-CG2 3.9Å; F159-V163 HydrophobicContact CE2-CG2 3.94Å; F159-V163 HydrophobicContact CZ-CG2 3.66Å; F159-V163 WeakPolarHBondContact O-CG2 3.33Å; F159-V163 PolarHBondContact O-N 3.27Å; I160-V163 PolarHBondContact O-N 3.41Å; N161-V163 PolarHBondContact O-N 3.49Å; V163-H165 VanDerWaalsContact C-N 3.32Å; V163-H165 PolarHBondContact O-N 2.92Å; V163-C166 PolarHBondContact O-N 2.86Å; V163-L167 PolarHBondContact O-N 3.44Å; V163-A185 HydrophobicContact CG1-CB 4.48Å; V163-A185 HydrophobicContact CG2-CB 4.34Å; V163-F207 HydrophobicContact CG2-CZ 3.95Å; V163-C267 HydrophobicContact CG1-CB 3.89Å
164	L	94.8	Very high	91	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-67.7	-32.6	177.2	-66.8	-179.5	0	0	0	112.7	I160 N161 L167 T168 V263 V323 W326 W330	I160-L164 HydrophobicContact CG2-CD1 3.89Å; I160-L164 HydrophobicContact CG2-CG 4.32Å; I160-L164 WeakPolarHBondContact O-CB 3.38Å; I160-L164 VanDerWaalsContact O-CG 3.26Å; I160-L164 WeakPolarHBondContact O-CG 3.26Å; I160-L164 PolarHBondContact O-N 3.45Å; N161-L164 PolarHBondContact O-N 2.96Å; L164-L167 PolarHBondContact O-N 3.49Å; L164-T168 PolarHBondContact O-N 2.84Å; L164-T168 PolarHBondContact O-OG1 2.93Å; L164-V263 HydrophobicContact CD2-CG1 4.01Å; L164-V263 HydrophobicContact CG-CG1 4.33Å; L164-V323 HydrophobicContact CD1-CG2 3.83Å; L164-W326 HydrophobicContact CD2-CB 4.13Å; L164-W326 HydrophobicContact CD2-CG 3.98Å; L164-W326 PolarHBondContact O-NE1 3.25Å; L164-W330 HydrophobicContact CD2-CH2 3.84Å; L164-W330 HydrophobicContact CD2-CZ2 4.28Å
165	H	92.3	Very high	91.1	Very high	41 Å²	41	35.5 Å²	35.5	19%	0.19	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-47.8	172.7	-175.9	81.1	0	0	0	110.7	N161 S162 V163 L167 T168 K169	N161-H165 VanDerWaalsContact O-CB 3.25Å; N161-H165 WeakPolarHBondContact O-CB 3.46Å; N161-H165 PolarHBondContact O-N 3.09Å; S162-H165 PolarHBondContact O-N 2.74Å; V163-H165 VanDerWaalsContact C-N 3.32Å; V163-H165 PolarHBondContact O-N 2.92Å; H165-L167 PolarHBondContact O-N 2.81Å; H165-T168 WeakPolarHBondContact O-CB 3.49Å; H165-T168 PolarHBondContact O-N 3.5Å; H165-T168 VanDerWaalsContact O-N 3.16Å; H165-K169 WeakPolarHBondContact NE2-CE 3.44Å; H165-K169 PolarHBondContact NE2-NZ 3.18Å; H165-K169 PolarHBondContact O-N 2.73Å
166	C	92.8	Very high	91.2	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.034	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-41.6	175.9	-66	0	0	0	0	112	S162 V163 T168 K169 L170 F181 I210	S162-C166 PolarHBondContact O-N 3.39Å; S162-C166 PolarHBondContact O-SG 3.16Å; V163-C166 PolarHBondContact O-N 2.86Å; C166-T168 VanDerWaalsContact C-N 3.26Å; C166-T168 PolarHBondContact O-N 2.93Å; C166-K169 CarbonylContact O-C 3.58Å; C166-K169 PolarHBondContact O-N 3.22Å; C166-K169 VanDerWaalsContact O-N 3.08Å; C166-L170 PolarHBondContact O-N 3.49Å; C166-F181 HydrophobicContact CB-CD1 4.22Å; C166-F181 HydrophobicContact CB-CE1 3.36Å; C166-F181 HydrophobicContact CB-CZ 3.58Å; C166-I210 HydrophobicContact CB-CD1 4.29Å; C166-I210 HydrophobicContact CB-CG1 4.42Å
167	L	94.9	Very high	91.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-35.1	175.2	-172.1	66.3	0	0	0	112.3	V163 L164 H165 K169 L170 F182 C267 E270 W326 W330	V163-L167 PolarHBondContact O-N 3.44Å; L164-L167 PolarHBondContact O-N 3.49Å; H165-L167 PolarHBondContact O-N 2.81Å; L167-K169 PolarHBondContact O-N 3.38Å; L167-L170 HydrophobicContact CD1-CD2 4.33Å; L167-L170 VanDerWaalsContact O-CB 3.24Å; L167-L170 WeakPolarHBondContact O-CB 3.07Å; L167-L170 PolarHBondContact O-N 3.4Å; L167-F182 HydrophobicContact CB-CE1 4.02Å; L167-F182 HydrophobicContact CB-CZ 4.14Å; L167-F182 HydrophobicContact CD1-CE1 3.83Å; L167-F182 HydrophobicContact CD1-CZ 3.81Å; L167-C267 HydrophobicContact CD2-CB 4.12Å; L167-E270 HydrophobicContact CD1-CB 4.2Å; L167-E270 HydrophobicContact CD1-CG 4.15Å; L167-E270 HydrophobicContact CD2-CB 4.24Å; L167-E270 HydrophobicContact CD2-CG 4.15Å; L167-W326 HydrophobicContact CB-CZ2 4.03Å; L167-W326 HydrophobicContact CD1-CH2 4.48Å; L167-W326 HydrophobicContact CD2-CD2 3.64Å; L167-W326 HydrophobicContact CD2-CE3 3.71Å; L167-W326 HydrophobicContact CD2-CG 4.34Å; L167-W326 HydrophobicContact CD2-CH2 3.78Å; L167-W326 HydrophobicContact CD2-CZ2 3.7Å; L167-W326 HydrophobicContact CD2-CZ3 3.79Å; L167-W326 HydrophobicContact CG-CD2 4.37Å; L167-W326 HydrophobicContact CG-CE3 4.47Å; L167-W326 HydrophobicContact CG-CH2 3.62Å; L167-W326 HydrophobicContact CG-CZ2 3.47Å; L167-W326 VanDerWaalsContact CG-CZ2 3.47Å; L167-W326 HydrophobicContact CG-CZ3 4.13Å; L167-W330 HydrophobicContact CD2-CZ2 4.18Å
168	T	93.2	Very high	91.6	Very high	57 Å²	57	41.8 Å²	41.8	35%	0.35	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-28.6	175.7	-62.2	0	0	0	0	113	L164 H165 C166 W326	L164-T168 PolarHBondContact O-N 2.84Å; L164-T168 PolarHBondContact O-OG1 2.93Å; H165-T168 WeakPolarHBondContact O-CB 3.49Å; H165-T168 PolarHBondContact O-N 3.5Å; H165-T168 VanDerWaalsContact O-N 3.16Å; C166-T168 VanDerWaalsContact C-N 3.26Å; C166-T168 PolarHBondContact O-N 2.93Å; T168-W326 PolarHBondContact OG1-NE1 3.25Å; T168-W326 VanDerWaalsContact OG1-NE1 3.13Å
169	K	91.5	Very high	92	Very high	96 Å²	96	40.5 Å²	40.5	42%	0.417	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	16	177.5	-66.7	179.3	170.6	172.1	0	113.2	H165 C166 L167 S171 D172	H165-K169 WeakPolarHBondContact NE2-CE 3.44Å; H165-K169 PolarHBondContact NE2-NZ 3.18Å; H165-K169 PolarHBondContact O-N 2.73Å; C166-K169 CarbonylContact O-C 3.58Å; C166-K169 PolarHBondContact O-N 3.22Å; C166-K169 VanDerWaalsContact O-N 3.08Å; L167-K169 PolarHBondContact O-N 3.38Å; K169-S171 PolarHBondContact O-N 3Å; K169-S171 VanDerWaalsContact O-N 3.13Å; K169-D172 WeakPolarHBondContact O-CB 2.9Å; K169-D172 PolarHBondContact O-N 3.48Å
170	L	91.3	Very high	92.1	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.089	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-55	-36.4	-174.5	173.4	60.7	0	0	0	113.3	C166 L167 D172 L173 A178 F182 Y271 T274	C166-L170 PolarHBondContact O-N 3.49Å; L167-L170 HydrophobicContact CD1-CD2 4.33Å; L167-L170 VanDerWaalsContact O-CB 3.24Å; L167-L170 WeakPolarHBondContact O-CB 3.07Å; L167-L170 PolarHBondContact O-N 3.4Å; L170-D172 PolarHBondContact O-N 2.97Å; L170-L173 PolarHBondContact O-N 3.33Å; L170-A178 HydrophobicContact CD1-CB 3.82Å; L170-F182 HydrophobicContact CD1-CD2 4.49Å; L170-F182 HydrophobicContact CD1-CE2 3.74Å; L170-Y271 HydrophobicContact CD1-CD2 3.68Å; L170-Y271 HydrophobicContact CD1-CE2 4.31Å; L170-Y271 HydrophobicContact CD2-CD2 4.39Å; L170-T274 HydrophobicContact CD2-CG2 3.75Å
171	S	90.5	Very high	92.3	Very high	106 Å²	106	42.2 Å²	42.2	74%	0.741	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-61.5	-21.9	177.5	52.5	0	0	0	0	114.2	K169	K169-S171 PolarHBondContact O-N 3Å; K169-S171 VanDerWaalsContact O-N 3.13Å
172	D	90.2	Very high	92.5	Very high	121 Å²	121	41.5 Å²	41.5	65%	0.647	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-94	-4.9	-174.1	-50.6	-22.3	0	0	0	111.4	K169 L170	K169-D172 WeakPolarHBondContact O-CB 2.9Å; K169-D172 PolarHBondContact O-N 3.48Å; L170-D172 PolarHBondContact O-N 2.97Å
173	L	87.8	Confident	92.8	Very high	36 Å²	36	41.4 Å²	41.4	19%	0.188	23%	0.23	C	C	.	.	S	Bend	trans	-96.9	134.3	-175.1	-60.2	178.3	0	0	0	111.8	L170 S175 A178 F182 I210	L170-L173 PolarHBondContact O-N 3.33Å; L173-S175 PolarHBondContact O-N 3.47Å; L173-A178 HydrophobicContact CB-CB 3.92Å; L173-A178 HydrophobicContact CD1-CB 4.25Å; L173-F182 HydrophobicContact CD1-CE2 4.47Å; L173-I210 HydrophobicContact CD1-CD1 3.41Å; L173-I210 VanDerWaalsContact CD1-CD1 3.41Å; L173-I210 HydrophobicContact CD2-CD1 3.44Å; L173-I210 VanDerWaalsContact CD2-CD1 3.44Å; L173-I210 HydrophobicContact CG-CD1 4.07Å
174	P	90.1	Very high	92.9	Very high	82 Å²	82	41.9 Å²	41.9	53%	0.532	23%	0.233	S	C	.	.			trans	-55.5	138.8	165.8	-22.6	32.8	0	0	0	111.1	E176 Q177 A178	P174-E176 VanDerWaalsContact C-N 3.31Å; P174-E176 PolarHBondContact O-N 3.45Å; P174-Q177 HydrophobicContact CB-CB 4.23Å; P174-Q177 HydrophobicContact CG-CB 4.48Å; P174-Q177 PolarHBondContact O-N 3.28Å; P174-A178 PolarHBondContact O-N 2.93Å
175	S	88	Confident	93	Very high	75 Å²	75	41.7 Å²	41.7	52%	0.524	23%	0.232	S	C	.	.	H	α-helix	trans	-51	-45.8	-172.9	-175.4	0	0	0	0	113.8	L173 A178 F179 Y271	L173-S175 PolarHBondContact O-N 3.47Å; S175-A178 PolarHBondContact O-N 3.35Å; S175-F179 WeakPolarHBondContact O-CB 3.41Å; S175-F179 PolarHBondContact O-N 3.33Å; S175-Y271 PolarHBondContact O-OH 2.98Å
176	E	90.1	Very high	93.3	Very high	105 Å²	105	39.7 Å²	39.7	49%	0.491	22%	0.223	S	C	.	.	H	α-helix	trans	-69	-38.3	179.8	-177.5	167.9	-152.7	0	0	112.5	P174 F179 N180 H230	P174-E176 VanDerWaalsContact C-N 3.31Å; P174-E176 PolarHBondContact O-N 3.45Å; E176-F179 PolarHBondContact O-N 3.46Å; E176-N180 WeakPolarHBondContact O-CB 3.4Å; E176-N180 PolarHBondContact O-N 2.97Å; E176-H230 IonicContact OE1-ND1 3.04Å
177	Q	91.8	Very high	93.5	Very high	80 Å²	80	39.5 Å²	39.5	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-68	-40.2	176.3	-171.2	175.4	42.1	0	0	111.1	P174 F181 I210	P174-Q177 HydrophobicContact CB-CB 4.23Å; P174-Q177 HydrophobicContact CG-CB 4.48Å; P174-Q177 PolarHBondContact O-N 3.28Å; Q177-F181 VanDerWaalsContact O-CB 3.27Å; Q177-F181 WeakPolarHBondContact O-CB 3.2Å; Q177-F181 PolarHBondContact O-N 2.83Å; Q177-I210 HydrophobicContact CG-CG2 4.09Å
178	A	93.9	Very high	93.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-47.3	173.5	0	0	0	0	0	111	L170 L173 P174 S175 N180 F181 F182 Y271	L170-A178 HydrophobicContact CD1-CB 3.82Å; L173-A178 HydrophobicContact CB-CB 3.92Å; L173-A178 HydrophobicContact CD1-CB 4.25Å; P174-A178 PolarHBondContact O-N 2.93Å; S175-A178 PolarHBondContact O-N 3.35Å; A178-N180 PolarHBondContact O-N 3.01Å; A178-F181 PolarHBondContact O-N 3.37Å; A178-F182 HydrophobicContact CB-CD2 4.49Å; A178-F182 HydrophobicContact CB-CE2 4.44Å; A178-F182 WeakPolarHBondContact O-CD2 3.47Å; A178-F182 PolarHBondContact O-N 2.87Å; A178-Y271 HydrophobicContact CB-CD2 4.01Å; A178-Y271 HydrophobicContact CB-CE2 3.57Å
179	F	95.6	Very high	93.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-53.6	-55.7	176	-177.8	-93.6	0	0	0	111.2	S175 E176 F181 F182 L183 L229 H230 Y271 F272	S175-F179 WeakPolarHBondContact O-CB 3.41Å; S175-F179 PolarHBondContact O-N 3.33Å; E176-F179 PolarHBondContact O-N 3.46Å; F179-F181 VanDerWaalsContact C-N 3.3Å; F179-F181 PolarHBondContact O-N 2.86Å; F179-F182 PolarHBondContact O-N 2.78Å; F179-L183 HydrophobicContact CE1-CD2 3.73Å; F179-L183 HydrophobicContact CZ-CD2 4.05Å; F179-L183 VanDerWaalsContact O-CB 3.24Å; F179-L183 WeakPolarHBondContact O-CB 3.37Å; F179-L183 PolarHBondContact O-N 2.78Å; F179-L229 HydrophobicContact CZ-CB 4.24Å; F179-L229 HydrophobicContact CZ-CD2 3.99Å; F179-L229 HydrophobicContact CZ-CG 3.84Å; F179-H230 HydrophobicContact CD1-CB 3.71Å; F179-H230 AromaticContact CD1-CD2 3.89Å; F179-H230 AromaticContact CD1-CG 3.95Å; F179-H230 AromaticContact CD2-CD2 3.9Å; F179-H230 HydrophobicContact CE1-CB 3.58Å; F179-H230 HydrophobicContact CG-CB 4.29Å; F179-H230 AromaticContact CG-CD2 3.61Å; F179-H230 HydrophobicContact CZ-CB 4.06Å; F179-Y271 HydrophobicContact CB-CE1 4.31Å; F179-Y271 VanDerWaalsContact CB-OH 3.31Å; F179-Y271 WeakPolarHBondContact CB-OH 3.4Å; F179-Y271 AromaticContact CD2-CE1 3.84Å; F179-Y271 HydrophobicContact CD2-CE1 3.84Å; F179-F272 HydrophobicContact CE2-CE1 4.2Å
180	N	94.5	Very high	93.7	Very high	41 Å²	41	32.1 Å²	32.1	22%	0.219	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-39.8	-177.7	-76.4	-19.1	0	0	0	111.8	E176 A178 N184	E176-N180 WeakPolarHBondContact O-CB 3.4Å; E176-N180 PolarHBondContact O-N 2.97Å; A178-N180 PolarHBondContact O-N 3.01Å; N180-N184 WeakPolarHBondContact O-CB 3.4Å; N180-N184 PolarHBondContact O-N 3.48Å; N180-N184 VanDerWaalsContact O-N 3.1Å; N180-N184 PolarHBondContact O-ND2 3.12Å
181	F	95.7	Very high	93.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-55.4	177.4	175.3	-102.7	0	0	0	112.2	C166 Q177 A178 F179 L183 N184 A185 F207 I210 F213 I214	C166-F181 HydrophobicContact CB-CD1 4.22Å; C166-F181 HydrophobicContact CB-CE1 3.36Å; C166-F181 HydrophobicContact CB-CZ 3.58Å; Q177-F181 VanDerWaalsContact O-CB 3.27Å; Q177-F181 WeakPolarHBondContact O-CB 3.2Å; Q177-F181 PolarHBondContact O-N 2.83Å; A178-F181 PolarHBondContact O-N 3.37Å; F179-F181 VanDerWaalsContact C-N 3.3Å; F179-F181 PolarHBondContact O-N 2.86Å; F181-L183 VanDerWaalsContact C-N 3.33Å; F181-L183 PolarHBondContact O-N 3.44Å; F181-N184 PolarHBondContact O-N 3.15Å; F181-A185 HydrophobicContact CE1-CB 4.49Å; F181-A185 HydrophobicContact CZ-CB 4.41Å; F181-A185 VanDerWaalsContact O-CB 3.3Å; F181-A185 WeakPolarHBondContact O-CB 3.48Å; F181-A185 PolarHBondContact O-N 3.44Å; F181-F207 HydrophobicContact CE2-CD2 4.47Å; F181-F207 AromaticContact CE2-CE2 3.52Å; F181-F207 HydrophobicContact CE2-CE2 3.52Å; F181-F207 AromaticContact CE2-CZ 3.97Å; F181-F207 HydrophobicContact CE2-CZ 3.97Å; F181-F207 AromaticContact CZ-CE2 3.65Å; F181-F207 HydrophobicContact CZ-CE2 3.65Å; F181-F207 AromaticContact CZ-CZ 3.99Å; F181-F207 HydrophobicContact CZ-CZ 3.99Å; F181-I210 HydrophobicContact CB-CG2 3.84Å; F181-I210 HydrophobicContact CD1-CD1 4.39Å; F181-I210 HydrophobicContact CD2-CB 4.16Å; F181-I210 HydrophobicContact CD2-CD1 4.45Å; F181-I210 HydrophobicContact CD2-CG1 3.84Å; F181-I210 HydrophobicContact CD2-CG2 3.7Å; F181-I210 HydrophobicContact CE2-CG1 4.02Å; F181-I210 HydrophobicContact CG-CD1 4.21Å; F181-I210 HydrophobicContact CG-CG1 4.1Å; F181-I210 HydrophobicContact CG-CG2 3.95Å; F181-I210 HydrophobicContact CZ-CG1 4.46Å; F181-F213 AromaticContact CD2-CD1 3.75Å; F181-F213 HydrophobicContact CD2-CD1 3.75Å; F181-F213 HydrophobicContact CD2-CE1 4.29Å; F181-F213 HydrophobicContact CE2-CB 4.46Å; F181-F213 AromaticContact CE2-CD1 3.69Å; F181-F213 HydrophobicContact CE2-CD1 3.69Å; F181-F213 HydrophobicContact CE2-CE1 4.22Å; F181-F213 HydrophobicContact CE2-CG 4.19Å; F181-I214 HydrophobicContact CB-CD1 4.49Å
182	F	97.3	Very high	93.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70	-31.6	-175.3	-70.4	-68.4	0	0	0	112.7	L167 L170 L173 A178 F179 S186 C267 L268 Y271	L167-F182 HydrophobicContact CB-CE1 4.02Å; L167-F182 HydrophobicContact CB-CZ 4.14Å; L167-F182 HydrophobicContact CD1-CE1 3.83Å; L167-F182 HydrophobicContact CD1-CZ 3.81Å; L170-F182 HydrophobicContact CD1-CD2 4.49Å; L170-F182 HydrophobicContact CD1-CE2 3.74Å; L173-F182 HydrophobicContact CD1-CE2 4.47Å; A178-F182 HydrophobicContact CB-CD2 4.49Å; A178-F182 HydrophobicContact CB-CE2 4.44Å; A178-F182 WeakPolarHBondContact O-CD2 3.47Å; A178-F182 PolarHBondContact O-N 2.87Å; F179-F182 PolarHBondContact O-N 2.78Å; F182-S186 WeakPolarHBondContact O-CB 3.37Å; F182-S186 PolarHBondContact O-N 2.77Å; F182-C267 HydrophobicContact CD1-CB 3.96Å; F182-C267 HydrophobicContact CE1-CB 4.11Å; F182-L268 HydrophobicContact CB-CB 4.38Å; F182-L268 HydrophobicContact CB-CD1 3.87Å; F182-Y271 HydrophobicContact CB-CG 4.38Å; F182-Y271 AromaticContact CD2-CD2 3.77Å; F182-Y271 HydrophobicContact CD2-CD2 3.77Å; F182-Y271 AromaticContact CD2-CG 3.75Å; F182-Y271 HydrophobicContact CD2-CG 3.75Å; F182-Y271 HydrophobicContact CE2-CD2 4.27Å; F182-Y271 HydrophobicContact CG-CG 4.29Å
183	L	98.1	Very high	93.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-47.3	173.1	-171.5	70.2	0	0	0	111.1	F179 F181 L187 L229 L268 L441 I476	F179-L183 HydrophobicContact CE1-CD2 3.73Å; F179-L183 HydrophobicContact CZ-CD2 4.05Å; F179-L183 VanDerWaalsContact O-CB 3.24Å; F179-L183 WeakPolarHBondContact O-CB 3.37Å; F179-L183 PolarHBondContact O-N 2.78Å; F181-L183 VanDerWaalsContact C-N 3.33Å; F181-L183 PolarHBondContact O-N 3.44Å; L183-L187 WeakPolarHBondContact O-CB 3.48Å; L183-L187 PolarHBondContact O-N 2.8Å; L183-L229 HydrophobicContact CD1-CD2 4.03Å; L183-L229 HydrophobicContact CD2-CD2 4.22Å; L183-L268 HydrophobicContact CD1-CD2 4.45Å; L183-L441 HydrophobicContact CD1-CD1 3.74Å; L183-L441 HydrophobicContact CD1-CD2 3.93Å; L183-L441 HydrophobicContact CD1-CG 4.44Å; L183-L441 HydrophobicContact CG-CD2 4.31Å; L183-I476 HydrophobicContact CD2-CD1 3.96Å; L183-I476 HydrophobicContact CD2-CG2 4.07Å; L183-I476 HydrophobicContact CG-CD1 4.34Å
184	N	97.1	Very high	93.2	Very high	10 Å²	10	21.6 Å²	21.6	5%	0.053	12%	0.118	C	C	.	.	H	α-helix	trans	-70.4	-38.8	177.4	-83.1	-79	0	0	0	112.3	N180 F181 S186 L187 W188 F213 I214 V217	N180-N184 WeakPolarHBondContact O-CB 3.4Å; N180-N184 PolarHBondContact O-N 3.48Å; N180-N184 VanDerWaalsContact O-N 3.1Å; N180-N184 PolarHBondContact O-ND2 3.12Å; F181-N184 PolarHBondContact O-N 3.15Å; N184-S186 VanDerWaalsContact C-N 3.31Å; N184-S186 PolarHBondContact O-N 3.28Å; N184-L187 PolarHBondContact O-N 2.76Å; N184-W188 WeakPolarHBondContact O-CB 3.3Å; N184-W188 PolarHBondContact O-N 2.87Å; N184-W188 PolarHBondContact OD1-NE1 2.76Å; N184-F213 HydrophobicContact CB-CE1 3.89Å; N184-I214 HydrophobicContact CB-CD1 4.11Å; N184-V217 HydrophobicContact CB-CG2 4.03Å
185	A	96.3	Very high	92.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59	-45.7	175.5	0	0	0	0	0	110.5	V163 F181 A189 F213 A264	V163-A185 HydrophobicContact CG1-CB 4.48Å; V163-A185 HydrophobicContact CG2-CB 4.34Å; F181-A185 HydrophobicContact CE1-CB 4.49Å; F181-A185 HydrophobicContact CZ-CB 4.41Å; F181-A185 VanDerWaalsContact O-CB 3.3Å; F181-A185 WeakPolarHBondContact O-CB 3.48Å; F181-A185 PolarHBondContact O-N 3.44Å; A185-A189 WeakPolarHBondContact O-CB 3.39Å; A185-A189 PolarHBondContact O-N 2.79Å; A185-F213 HydrophobicContact CB-CE1 4.35Å; A185-F213 HydrophobicContact CB-CZ 4.45Å; A185-A264 WeakPolarHBondContact O-CB 3.39Å
186	S	98.1	Very high	92.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58.8	-54.8	172	169.4	0	0	0	0	110.6	F182 N184 W188 A189 D265 K377	F182-S186 WeakPolarHBondContact O-CB 3.37Å; F182-S186 PolarHBondContact O-N 2.77Å; N184-S186 VanDerWaalsContact C-N 3.31Å; N184-S186 PolarHBondContact O-N 3.28Å; S186-W188 PolarHBondContact O-N 3.29Å; S186-A189 PolarHBondContact O-N 2.63Å; S186-D265 WeakPolarHBondContact CB-OD1 3.45Å; S186-D265 PolarHBondContact OG-OD1 3.45Å; S186-K377 PolarHBondContact O-NZ 3.49Å; S186-K377 WeakPolarHBondContact OG-CE 3.39Å; S186-K377 PolarHBondContact OG-NZ 2.99Å
187	L	97.9	Very high	92	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-52	-56.5	-179.8	169.5	61.9	0	0	0	112.5	L183 N184 A189 N190 L221 L441 R442 V443 I476	L183-L187 WeakPolarHBondContact O-CB 3.48Å; L183-L187 PolarHBondContact O-N 2.8Å; N184-L187 PolarHBondContact O-N 2.76Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-A189 PolarHBondContact O-N 2.79Å; L187-N190 WeakPolarHBondContact O-CB 3.48Å; L187-N190 PolarHBondContact O-N 3.34Å; L187-L221 HydrophobicContact CD2-CD2 3.5Å; L187-L441 HydrophobicContact CB-CB 4.38Å; L187-L441 HydrophobicContact CD1-CB 4.05Å; L187-R442 VanDerWaalsContact CD1-C 3.48Å; L187-V443 HydrophobicContact CD1-CG2 4.29Å; L187-I476 HydrophobicContact CD2-CD1 4.09Å; L187-I476 HydrophobicContact CD2-CG1 3.62Å
188	W	95.6	Very high	90.7	Very high	1 Å²	1	13.1 Å²	13.1	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-79.9	-15.4	-170.2	-67.7	101.9	0	0	0	113.3	N184 S186 N190 E191 F213 V217 Q220 L221 V443 G474	N184-W188 WeakPolarHBondContact O-CB 3.3Å; N184-W188 PolarHBondContact O-N 2.87Å; N184-W188 PolarHBondContact OD1-NE1 2.76Å; S186-W188 PolarHBondContact O-N 3.29Å; W188-N190 PolarHBondContact O-N 2.79Å; W188-E191 VanDerWaalsContact CE3-CD 3.44Å; W188-E191 HydrophobicContact CE3-CG 3.79Å; W188-E191 VanDerWaalsContact CE3-OE1 3.3Å; W188-E191 HydrophobicContact CZ3-CG 4.34Å; W188-E191 WeakPolarHBondContact CZ3-OE1 3.31Å; W188-E191 VanDerWaalsContact O-CB 3.29Å; W188-E191 WeakPolarHBondContact O-CB 3.28Å; W188-E191 WeakPolarHBondContact O-CG 3.44Å; W188-E191 PolarHBondContact O-N 2.73Å; W188-F213 HydrophobicContact CB-CZ 4.3Å; W188-V217 HydrophobicContact CB-CG1 4.4Å; W188-V217 HydrophobicContact CD2-CB 4.23Å; W188-V217 HydrophobicContact CD2-CG1 4.01Å; W188-V217 HydrophobicContact CG-CB 4.17Å; W188-V217 HydrophobicContact CG-CG1 3.72Å; W188-V217 HydrophobicContact CZ2-CB 4.28Å; W188-V217 VanDerWaalsContact NE1-CB 3.33Å; W188-Q220 HydrophobicContact CH2-CB 3.29Å; W188-Q220 HydrophobicContact CH2-CG 4.36Å; W188-Q220 HydrophobicContact CZ2-CB 3.63Å; W188-Q220 HydrophobicContact CZ3-CB 4.19Å; W188-L221 HydrophobicContact CZ2-CD2 4.01Å; W188-L221 HydrophobicContact CZ2-CG 4.27Å; W188-V443 HydrophobicContact CE3-CG2 3.98Å; W188-V443 HydrophobicContact CZ3-CG2 4.25Å; W188-G474 VanDerWaalsContact CH2-N 3.31Å
189	A	94.9	Very high	89.5	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.3	-17.6	167.3	0	0	0	0	0	112.6	F159 A185 S186 L187 E191 F192 E261 A264	F159-A189 HydrophobicContact CE1-CB 3.73Å; F159-A189 HydrophobicContact CZ-CB 3.77Å; A185-A189 WeakPolarHBondContact O-CB 3.39Å; A185-A189 PolarHBondContact O-N 2.79Å; S186-A189 PolarHBondContact O-N 2.63Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-A189 PolarHBondContact O-N 2.79Å; A189-E191 PolarHBondContact O-N 3.3Å; A189-F192 WeakPolarHBondContact O-CB 3.43Å; A189-F192 WeakPolarHBondContact O-CD2 3.13Å; A189-F192 PolarHBondContact O-N 2.8Å; A189-E261 HydrophobicContact CB-CB 4.16Å; A189-E261 HydrophobicContact CB-CG 4.45Å; A189-A264 HydrophobicContact CB-CB 3.55Å
190	N	93.7	Very high	88	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.9	169.6	-165.7	-111.2	0	0	0	112	L187 W188 F192 D256 N257 E261 G378 V443 K445	L187-N190 WeakPolarHBondContact O-CB 3.48Å; L187-N190 PolarHBondContact O-N 3.34Å; W188-N190 PolarHBondContact O-N 2.79Å; N190-F192 PolarHBondContact O-N 3.16Å; N190-F192 VanDerWaalsContact O-N 3.16Å; N190-D256 PolarHBondContact ND2-OD2 3.21Å; N190-N257 PolarHBondContact ND2-ND2 3.36Å; N190-E261 VanDerWaalsContact ND2-CD 3.25Å; N190-E261 PolarHBondContact ND2-OE1 2.89Å; N190-E261 PolarHBondContact ND2-OE2 2.69Å; N190-G378 WeakPolarHBondContact ND2-CA 3.2Å; N190-V443 HydrophobicContact CB-CB 4.32Å; N190-V443 HydrophobicContact CB-CG2 3.97Å; N190-K445 VanDerWaalsContact CG-NZ 3.32Å; N190-K445 WeakPolarHBondContact O-CE 3.37Å; N190-K445 PolarHBondContact O-NZ 2.61Å; N190-K445 WeakPolarHBondContact OD1-CE 3.48Å; N190-K445 PolarHBondContact OD1-NZ 3.34Å
191	E	90.5	Very high	86.9	Confident	30 Å²	30	21 Å²	21	14%	0.14	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.5	173	-67.6	-176.1	136.3	0	0	112.5	W188 A189 D193 R216 V443	W188-E191 VanDerWaalsContact CE3-CD 3.44Å; W188-E191 HydrophobicContact CE3-CG 3.79Å; W188-E191 VanDerWaalsContact CE3-OE1 3.3Å; W188-E191 HydrophobicContact CZ3-CG 4.34Å; W188-E191 WeakPolarHBondContact CZ3-OE1 3.31Å; W188-E191 VanDerWaalsContact O-CB 3.29Å; W188-E191 WeakPolarHBondContact O-CB 3.28Å; W188-E191 WeakPolarHBondContact O-CG 3.44Å; W188-E191 PolarHBondContact O-N 2.73Å; A189-E191 PolarHBondContact O-N 3.3Å; E191-D193 PolarHBondContact O-N 2.96Å; E191-R216 IonicContact OE2-CZ 3.39Å; E191-R216 IonicContact OE2-NH1 3.77Å; E191-R216 IonicContact OE2-NH2 3.62Å; E191-R216 PolarHBondContact OE2-NH2 3.49Å; E191-V443 HydrophobicContact CG-CG1 4.28Å; E191-V443 HydrophobicContact CG-CG2 4.16Å
192	F	87	Confident	85.7	Confident	8 Å²	8	22 Å²	22	4%	0.035	12%	0.116	C	C	.	.			trans	-78.2	58.1	177.9	-65.3	-97.3	0	0	0	112.2	A156 F159 A189 N190 F202 I205 P260	A156-F192 HydrophobicContact CB-CD1 3.89Å; A156-F192 HydrophobicContact CB-CE1 3.88Å; F159-F192 HydrophobicContact CB-CE1 4.29Å; F159-F192 HydrophobicContact CB-CE2 4.24Å; F159-F192 HydrophobicContact CB-CZ 3.58Å; F159-F192 AromaticContact CD1-CE2 3.82Å; F159-F192 HydrophobicContact CD1-CE2 3.82Å; F159-F192 HydrophobicContact CD1-CZ 4Å; F159-F192 AromaticContact CD2-CE2 3.91Å; F159-F192 HydrophobicContact CD2-CE2 3.91Å; F159-F192 HydrophobicContact CD2-CZ 4.01Å; F159-F192 HydrophobicContact CE1-CE2 4.13Å; F159-F192 HydrophobicContact CE2-CE2 4.22Å; F159-F192 AromaticContact CG-CE2 3.7Å; F159-F192 HydrophobicContact CG-CE2 3.7Å; F159-F192 AromaticContact CG-CZ 3.58Å; F159-F192 HydrophobicContact CG-CZ 3.58Å; F159-F192 HydrophobicContact CZ-CE2 4.32Å; A189-F192 WeakPolarHBondContact O-CB 3.43Å; A189-F192 WeakPolarHBondContact O-CD2 3.13Å; A189-F192 PolarHBondContact O-N 2.8Å; N190-F192 PolarHBondContact O-N 3.16Å; N190-F192 VanDerWaalsContact O-N 3.16Å; F192-F202 VanDerWaalsContact C-CE1 3.45Å; F192-F202 VanDerWaalsContact CA-CE1 3.48Å; F192-F202 HydrophobicContact CB-CD1 4.15Å; F192-F202 HydrophobicContact CB-CE1 3.9Å; F192-F202 HydrophobicContact CB-CZ 4.08Å; F192-F202 HydrophobicContact CD1-CB 3.74Å; F192-F202 AromaticContact CD1-CD1 3.76Å; F192-F202 HydrophobicContact CD1-CD1 3.76Å; F192-F202 AromaticContact CD1-CD2 3.55Å; F192-F202 HydrophobicContact CD1-CD2 3.55Å; F192-F202 HydrophobicContact CD1-CE1 4.21Å; F192-F202 AromaticContact CD1-CE2 4Å; F192-F202 HydrophobicContact CD1-CE2 4Å; F192-F202 AromaticContact CD1-CG 3.39Å; F192-F202 HydrophobicContact CD1-CG 3.39Å; F192-F202 HydrophobicContact CD1-CZ 4.3Å; F192-F202 HydrophobicContact CE1-CB 3.77Å; F192-F202 HydrophobicContact CE1-CD2 4.14Å; F192-F202 AromaticContact CE1-CG 3.94Å; F192-F202 HydrophobicContact CE1-CG 3.94Å; F192-F202 HydrophobicContact CG-CD1 4.29Å; F192-F202 HydrophobicContact CG-CE1 4.5Å; F192-F202 HydrophobicContact CG-CG 4.34Å; F192-I205 HydrophobicContact CE2-CD1 4.18Å; F192-I205 HydrophobicContact CZ-CB 4.38Å; F192-I205 HydrophobicContact CZ-CD1 4.03Å; F192-P260 HydrophobicContact CB-CG 3.33Å; F192-P260 HydrophobicContact CD1-CB 4.43Å; F192-P260 HydrophobicContact CD1-CG 3.67Å; F192-P260 HydrophobicContact CD2-CB 4.34Å; F192-P260 HydrophobicContact CD2-CG 3.95Å; F192-P260 HydrophobicContact CE1-CG 4.46Å; F192-P260 HydrophobicContact CG-CB 4.2Å; F192-P260 HydrophobicContact CG-CG 3.38Å
193	D	86.3	Confident	84.4	Confident	12 Å²	12	29.8 Å²	29.8	6%	0.064	15%	0.152	C	C	.	.			trans	-93.9	114.1	-173.9	-167.2	-41.9	0	0	0	112.4	E191 S195 L196 H197 K445	E191-D193 PolarHBondContact O-N 2.96Å; D193-S195 PolarHBondContact O-N 3.28Å; D193-S195 WeakPolarHBondContact OD1-CA 3.35Å; D193-S195 WeakPolarHBondContact OD1-CB 3.21Å; D193-S195 PolarHBondContact OD1-N 2.98Å; D193-S195 PolarHBondContact OD1-OG 2.8Å; D193-L196 HydrophobicContact CB-CB 4.24Å; D193-L196 HydrophobicContact CB-CD1 4.24Å; D193-L196 HydrophobicContact CB-CG 4.25Å; D193-L196 PolarHBondContact O-N 3.33Å; D193-L196 VanDerWaalsContact O-N 3.15Å; D193-L196 PolarHBondContact OD1-N 2.81Å; D193-H197 WeakPolarHBondContact O-CB 3.45Å; D193-H197 PolarHBondContact O-CD2 3.01Å; D193-H197 PolarHBondContact O-N 2.83Å; D193-K445 WeakPolarHBondContact OD2-CD 3.43Å; D193-K445 WeakPolarHBondContact OD2-CE 3.32Å; D193-K445 IonicContact OD2-NZ 3.06Å; D193-K445 PolarHBondContact OD2-NZ 2.81Å
194	L	85.4	Confident	83	Confident	8 Å²	8	36.7 Å²	36.7	4%	0.042	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-9.2	-178.4	-70.5	175	0	0	0	114.4	K148 F202 V292	K148-L194 HydrophobicContact CD-CB 4.49Å; K148-L194 HydrophobicContact CG-CD1 4.31Å; K148-L194 PolarHBondContact NZ-O 2.89Å; L194-F202 HydrophobicContact CD2-CE1 4.35Å; L194-F202 HydrophobicContact CD2-CE2 4.42Å; L194-F202 HydrophobicContact CD2-CZ 3.61Å; L194-F202 HydrophobicContact CG-CZ 4.22Å; L194-V292 HydrophobicContact CB-CG1 3.89Å
195	S	83.6	Confident	82	Confident	24 Å²	24	37.5 Å²	37.5	17%	0.168	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-29	170.1	79.9	0	0	0	0	112.2	D193	D193-S195 PolarHBondContact O-N 3.28Å; D193-S195 WeakPolarHBondContact OD1-CA 3.35Å; D193-S195 WeakPolarHBondContact OD1-CB 3.21Å; D193-S195 PolarHBondContact OD1-N 2.98Å; D193-S195 PolarHBondContact OD1-OG 2.8Å
196	L	80.8	Confident	81.3	Confident	47 Å²	47	43 Å²	43	25%	0.246	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-31	176.4	-63.7	-179	0	0	0	112.9	R21 D193 P198 K445	R21-L196 VanDerWaalsContact NH1-CD2 3.32Å; R21-L196 VanDerWaalsContact NH2-CD2 3.34Å; D193-L196 HydrophobicContact CB-CB 4.24Å; D193-L196 HydrophobicContact CB-CD1 4.24Å; D193-L196 HydrophobicContact CB-CG 4.25Å; D193-L196 PolarHBondContact O-N 3.33Å; D193-L196 VanDerWaalsContact O-N 3.15Å; D193-L196 PolarHBondContact OD1-N 2.81Å; L196-P198 WeakPolarHBondContact O-CD 3.19Å; L196-K445 HydrophobicContact CD1-CB 4.31Å; L196-K445 HydrophobicContact CD1-CD 3.75Å; L196-K445 HydrophobicContact CD1-CG 3.82Å
197	H	78.2	Confident	80.6	Confident	70 Å²	70	44 Å²	44	32%	0.324	22%	0.219	S	C	.	.			trans	-111.1	75.5	177.8	-63.3	-80.6	0	0	0	109.6	D193 D199 G200 D201 F202	D193-H197 WeakPolarHBondContact O-CB 3.45Å; D193-H197 PolarHBondContact O-CD2 3.01Å; D193-H197 PolarHBondContact O-N 2.83Å; H197-D199 PolarHBondContact O-N 2.79Å; H197-G200 PolarHBondContact O-N 2.82Å; H197-D201 PolarHBondContact ND1-O 3.14Å; H197-F202 HydrophobicContact CB-CD1 4.03Å; H197-F202 HydrophobicContact CB-CE1 3.85Å; H197-F202 AromaticContact CG-CD1 3.99Å
198	P	65.1	Low	79.5	Confident	23 Å²	23	49.8 Å²	49.8	15%	0.149	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.8	-169.6	21.9	-33.6	0	0	0	113.9	R24 K148 L196 G200	R24-P198 VanDerWaalsContact NH2-CG 3.31Å; K148-P198 WeakPolarHBondContact CE-O 3.5Å; K148-P198 PolarHBondContact NZ-O 2.89Å; L196-P198 WeakPolarHBondContact O-CD 3.19Å; P198-G200 VanDerWaalsContact C-N 3.3Å
199	D	68.7	Low	78.8	Confident	91 Å²	91	55 Å²	55	49%	0.487	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3	178.9	-54.3	-47	0	0	0	112	R24 H197 D201	R24-D199 IonicContact NH2-OD2 2.84Å; R24-D199 PolarHBondContact NH2-OD2 2.82Å; H197-D199 PolarHBondContact O-N 2.79Å; D199-D201 PolarHBondContact O-N 2.76Å
200	G	64.3	Low	78.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.01	28%	0.278	C	S	.	.			trans	71.4	8.2	-177.6	0	0	0	0	0	113.9	N155 H197 P198 F202	N155-G200 WeakPolarHBondContact CB-O 3.35Å; N155-G200 PolarHBondContact ND2-O 3.19Å; H197-G200 PolarHBondContact O-N 2.82Å; P198-G200 VanDerWaalsContact C-N 3.3Å; G200-F202 VanDerWaalsContact O-CD2 3.26Å; G200-F202 WeakPolarHBondContact O-CD2 3.1Å; G200-F202 WeakPolarHBondContact O-CE2 3.22Å; G200-F202 PolarHBondContact O-N 2.99Å
201	D	70.5	Confident	78	Confident	115 Å²	115	57.9 Å²	57.9	62%	0.615	29%	0.293	S	S	*	.			trans	-83.2	102.6	175.2	-71.9	-23.9	0	0	0	109.5	H197 D199	H197-D201 PolarHBondContact ND1-O 3.14Å; D199-D201 PolarHBondContact O-N 2.76Å
202	F	70.3	Confident	77.7	Confident	23 Å²	23	60.9 Å²	60.9	10%	0.101	31%	0.31	C	S	.	.			trans	-93.1	153.1	174	-51.5	-69.9	0	0	0	109.9	N155 A156 F192 L194 H197 G200 Q204	N155-F202 HydrophobicContact CB-CD2 4.38Å; A156-F202 HydrophobicContact CB-CD2 4.47Å; F192-F202 VanDerWaalsContact C-CE1 3.45Å; F192-F202 VanDerWaalsContact CA-CE1 3.48Å; F192-F202 HydrophobicContact CB-CD1 4.15Å; F192-F202 HydrophobicContact CB-CE1 3.9Å; F192-F202 HydrophobicContact CB-CZ 4.08Å; F192-F202 HydrophobicContact CD1-CB 3.74Å; F192-F202 AromaticContact CD1-CD1 3.76Å; F192-F202 HydrophobicContact CD1-CD1 3.76Å; F192-F202 AromaticContact CD1-CD2 3.55Å; F192-F202 HydrophobicContact CD1-CD2 3.55Å; F192-F202 HydrophobicContact CD1-CE1 4.21Å; F192-F202 AromaticContact CD1-CE2 4Å; F192-F202 HydrophobicContact CD1-CE2 4Å; F192-F202 AromaticContact CD1-CG 3.39Å; F192-F202 HydrophobicContact CD1-CG 3.39Å; F192-F202 HydrophobicContact CD1-CZ 4.3Å; F192-F202 HydrophobicContact CE1-CB 3.77Å; F192-F202 HydrophobicContact CE1-CD2 4.14Å; F192-F202 AromaticContact CE1-CG 3.94Å; F192-F202 HydrophobicContact CE1-CG 3.94Å; F192-F202 HydrophobicContact CG-CD1 4.29Å; F192-F202 HydrophobicContact CG-CE1 4.5Å; F192-F202 HydrophobicContact CG-CG 4.34Å; L194-F202 HydrophobicContact CD2-CE1 4.35Å; L194-F202 HydrophobicContact CD2-CE2 4.42Å; L194-F202 HydrophobicContact CD2-CZ 3.61Å; L194-F202 HydrophobicContact CG-CZ 4.22Å; H197-F202 HydrophobicContact CB-CD1 4.03Å; H197-F202 HydrophobicContact CB-CE1 3.85Å; H197-F202 AromaticContact CG-CD1 3.99Å; G200-F202 VanDerWaalsContact O-CD2 3.26Å; G200-F202 WeakPolarHBondContact O-CD2 3.1Å; G200-F202 WeakPolarHBondContact O-CE2 3.22Å; G200-F202 PolarHBondContact O-N 2.99Å; F202-Q204 PolarHBondContact O-N 2.79Å
203	Q	70.4	Confident	77.8	Confident	163 Å²	163	60.7 Å²	60.7	76%	0.762	31%	0.309	S	S	*	.			trans	-58	126.4	162.9	-72.5	-175.9	-4.4	0	0	107.8	I205	Q203-I205 PolarHBondContact O-N 3.33Å
204	Q	68.5	Low	77.9	Confident	145 Å²	145	61.8 Å²	61.8	68%	0.678	31%	0.314	S	S	*	.			trans	-65.5	103.5	179.3	-68.1	-107	-39	0	0	108	P158 F202	P158-Q204 VanDerWaalsContact CG-OE1 3.31Å; F202-Q204 PolarHBondContact O-N 2.79Å
205	I	76.6	Confident	78	Confident	26 Å²	26	67.4 Å²	67.4	13%	0.133	34%	0.339	C	S	.	.			trans	-99.2	107.7	175.3	-62.7	165.6	0	0	0	106.7	P158 F159 F192 Q203 F207	P158-I205 CarbonylContact C-O 3.58Å; F159-I205 WeakPolarHBondContact CA-O 3.44Å; F159-I205 WeakPolarHBondContact CB-O 3.45Å; F159-I205 HydrophobicContact CD2-CB 4.32Å; F159-I205 HydrophobicContact CD2-CG2 3.97Å; F159-I205 PolarHBondContact N-O 3.24Å; F159-I205 VanDerWaalsContact N-O 3.09Å; F192-I205 HydrophobicContact CE2-CD1 4.18Å; F192-I205 HydrophobicContact CZ-CB 4.38Å; F192-I205 HydrophobicContact CZ-CD1 4.03Å; Q203-I205 PolarHBondContact O-N 3.33Å; I205-F207 HydrophobicContact CG2-CD1 4.01Å; I205-F207 HydrophobicContact CG2-CE1 4.25Å
206	E	82.2	Confident	78.2	Confident	117 Å²	117	70.3 Å²	70.3	55%	0.547	35%	0.346	S	S	.	.			trans	-125.7	141	171.7	-171.2	168	-157.6	0	0	108.2	P158	P158-E206 HydrophobicContact CB-CB 3.88Å; P158-E206 HydrophobicContact CB-CG 4.16Å
207	F	83.1	Confident	78.6	Confident	20 Å²	20	68.1 Å²	68.1	9%	0.088	33%	0.334	C	S	.	.			trans	-152.6	135.2	177.6	54.8	-92.2	0	0	0	110.8	F159 S162 V163 F181 I205 F213	F159-F207 AromaticContact CD2-CE1 3.91Å; F159-F207 HydrophobicContact CD2-CE1 3.91Å; F159-F207 HydrophobicContact CE2-CE1 4Å; F159-F207 HydrophobicContact CE2-CZ 4.47Å; S162-F207 VanDerWaalsContact CB-O 3.31Å; S162-F207 WeakPolarHBondContact CB-O 3.47Å; S162-F207 PolarHBondContact OG-N 3.02Å; S162-F207 VanDerWaalsContact OG-N 3.09Å; S162-F207 PolarHBondContact OG-O 3.39Å; V163-F207 HydrophobicContact CG2-CZ 3.95Å; F181-F207 HydrophobicContact CE2-CD2 4.47Å; F181-F207 AromaticContact CE2-CE2 3.52Å; F181-F207 HydrophobicContact CE2-CE2 3.52Å; F181-F207 AromaticContact CE2-CZ 3.97Å; F181-F207 HydrophobicContact CE2-CZ 3.97Å; F181-F207 AromaticContact CZ-CE2 3.65Å; F181-F207 HydrophobicContact CZ-CE2 3.65Å; F181-F207 AromaticContact CZ-CZ 3.99Å; F181-F207 HydrophobicContact CZ-CZ 3.99Å; I205-F207 HydrophobicContact CG2-CD1 4.01Å; I205-F207 HydrophobicContact CG2-CE1 4.25Å; F207-F213 HydrophobicContact CD1-CB 4.33Å; F207-F213 AromaticContact CD1-CD2 3.74Å; F207-F213 HydrophobicContact CD1-CD2 3.74Å; F207-F213 HydrophobicContact CD1-CG 4.34Å; F207-F213 HydrophobicContact CD2-CB 3.94Å; F207-F213 HydrophobicContact CD2-CG 4.42Å; F207-F213 AromaticContact CE1-CD2 3.51Å; F207-F213 HydrophobicContact CE1-CD2 3.51Å; F207-F213 AromaticContact CE1-CE2 3.93Å; F207-F213 HydrophobicContact CE1-CE2 3.93Å; F207-F213 HydrophobicContact CE1-CG 4.15Å; F207-F213 HydrophobicContact CE2-CB 4.2Å; F207-F213 HydrophobicContact CE2-CD2 4.42Å; F207-F213 HydrophobicContact CE2-CG 4.26Å; F207-F213 HydrophobicContact CG-CB 4.02Å; F207-F213 HydrophobicContact CG-CD2 4.29Å; F207-F213 HydrophobicContact CG-CG 4.47Å; F207-F213 HydrophobicContact CZ-CB 4.49Å; F207-F213 AromaticContact CZ-CD2 3.88Å; F207-F213 HydrophobicContact CZ-CD2 3.88Å; F207-F213 HydrophobicContact CZ-CE2 4.29Å; F207-F213 HydrophobicContact CZ-CG 4.11Å
208	D	74	Confident	79.1	Confident	121 Å²	121	70.5 Å²	70.5	65%	0.647	35%	0.346	S	S	*	.	S	Bend	trans	-96.3	-21.3	175.3	-65.3	-36.7	0	0	0	112.5
209	Q	80.8	Confident	80.1	Confident	112 Å²	112	77.6 Å²	77.6	52%	0.523	37%	0.374	S	S	.	.			trans	-116.3	121.8	-174.4	-60.8	-60.3	-38.3	0	0	111.2	S211 D212 F213	Q209-S211 PolarHBondContact O-N 2.91Å; Q209-D212 HydrophobicContact CB-CB 4.34Å; Q209-D212 PolarHBondContact O-N 3.32Å; Q209-D212 VanDerWaalsContact O-N 3.1Å; Q209-F213 PolarHBondContact O-N 3.1Å
210	I	84.9	Confident	81.3	Confident	15 Å²	15	75 Å²	75	8%	0.077	36%	0.359	C	S	.	.	H	α-helix	trans	-56.1	-38.6	175.7	-70.6	174.6	0	0	0	111.4	C166 L173 Q177 F181 D212 F213 I214	C166-I210 HydrophobicContact CB-CD1 4.29Å; C166-I210 HydrophobicContact CB-CG1 4.42Å; L173-I210 HydrophobicContact CD1-CD1 3.41Å; L173-I210 VanDerWaalsContact CD1-CD1 3.41Å; L173-I210 HydrophobicContact CD2-CD1 3.44Å; L173-I210 VanDerWaalsContact CD2-CD1 3.44Å; L173-I210 HydrophobicContact CG-CD1 4.07Å; Q177-I210 HydrophobicContact CG-CG2 4.09Å; F181-I210 HydrophobicContact CB-CG2 3.84Å; F181-I210 HydrophobicContact CD1-CD1 4.39Å; F181-I210 HydrophobicContact CD2-CB 4.16Å; F181-I210 HydrophobicContact CD2-CD1 4.45Å; F181-I210 HydrophobicContact CD2-CG1 3.84Å; F181-I210 HydrophobicContact CD2-CG2 3.7Å; F181-I210 HydrophobicContact CE2-CG1 4.02Å; F181-I210 HydrophobicContact CG-CD1 4.21Å; F181-I210 HydrophobicContact CG-CG1 4.1Å; F181-I210 HydrophobicContact CG-CG2 3.95Å; F181-I210 HydrophobicContact CZ-CG1 4.46Å; I210-D212 VanDerWaalsContact C-N 3.27Å; I210-D212 PolarHBondContact O-N 2.8Å; I210-F213 PolarHBondContact O-N 3.38Å; I210-I214 HydrophobicContact CG2-CG1 4.18Å; I210-I214 WeakPolarHBondContact O-CG1 3.43Å; I210-I214 PolarHBondContact O-N 2.94Å
211	S	86.2	Confident	82.7	Confident	45 Å²	45	75.8 Å²	75.8	32%	0.315	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-35	179.5	52.7	0	0	0	0	113.1	Q209 K215	Q209-S211 PolarHBondContact O-N 2.91Å; S211-K215 WeakPolarHBondContact O-CB 3.48Å; S211-K215 WeakPolarHBondContact O-CD 3.4Å; S211-K215 WeakPolarHBondContact O-CG 3.28Å; S211-K215 PolarHBondContact O-N 3.44Å
212	D	84.7	Confident	84	Confident	92 Å²	92	70.9 Å²	70.9	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-76.3	-38.7	-177.5	-63.3	-17.1	0	0	0	110.3	Q209 I210 R216	Q209-D212 HydrophobicContact CB-CB 4.34Å; Q209-D212 PolarHBondContact O-N 3.32Å; Q209-D212 VanDerWaalsContact O-N 3.1Å; I210-D212 VanDerWaalsContact C-N 3.27Å; I210-D212 PolarHBondContact O-N 2.8Å; D212-R216 PolarHBondContact O-N 2.99Å; D212-R216 VanDerWaalsContact O-N 3.08Å
213	F	89	Confident	85.2	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-50.6	171.6	178.4	-101.2	0	0	0	111.7	F159 F181 N184 A185 W188 F207 Q209 I210 K215 R216 V217	F159-F213 HydrophobicContact CE2-CE2 4.41Å; F181-F213 AromaticContact CD2-CD1 3.75Å; F181-F213 HydrophobicContact CD2-CD1 3.75Å; F181-F213 HydrophobicContact CD2-CE1 4.29Å; F181-F213 HydrophobicContact CE2-CB 4.46Å; F181-F213 AromaticContact CE2-CD1 3.69Å; F181-F213 HydrophobicContact CE2-CD1 3.69Å; F181-F213 HydrophobicContact CE2-CE1 4.22Å; F181-F213 HydrophobicContact CE2-CG 4.19Å; N184-F213 HydrophobicContact CB-CE1 3.89Å; A185-F213 HydrophobicContact CB-CE1 4.35Å; A185-F213 HydrophobicContact CB-CZ 4.45Å; W188-F213 HydrophobicContact CB-CZ 4.3Å; F207-F213 HydrophobicContact CD1-CB 4.33Å; F207-F213 AromaticContact CD1-CD2 3.74Å; F207-F213 HydrophobicContact CD1-CD2 3.74Å; F207-F213 HydrophobicContact CD1-CG 4.34Å; F207-F213 HydrophobicContact CD2-CB 3.94Å; F207-F213 HydrophobicContact CD2-CG 4.42Å; F207-F213 AromaticContact CE1-CD2 3.51Å; F207-F213 HydrophobicContact CE1-CD2 3.51Å; F207-F213 AromaticContact CE1-CE2 3.93Å; F207-F213 HydrophobicContact CE1-CE2 3.93Å; F207-F213 HydrophobicContact CE1-CG 4.15Å; F207-F213 HydrophobicContact CE2-CB 4.2Å; F207-F213 HydrophobicContact CE2-CD2 4.42Å; F207-F213 HydrophobicContact CE2-CG 4.26Å; F207-F213 HydrophobicContact CG-CB 4.02Å; F207-F213 HydrophobicContact CG-CD2 4.29Å; F207-F213 HydrophobicContact CG-CG 4.47Å; F207-F213 HydrophobicContact CZ-CB 4.49Å; F207-F213 AromaticContact CZ-CD2 3.88Å; F207-F213 HydrophobicContact CZ-CD2 3.88Å; F207-F213 HydrophobicContact CZ-CE2 4.29Å; F207-F213 HydrophobicContact CZ-CG 4.11Å; Q209-F213 PolarHBondContact O-N 3.1Å; I210-F213 PolarHBondContact O-N 3.38Å; F213-K215 PolarHBondContact O-N 2.8Å; F213-R216 WeakPolarHBondContact O-CB 3.42Å; F213-R216 PolarHBondContact O-N 2.77Å; F213-V217 HydrophobicContact CD2-CG1 4.49Å; F213-V217 HydrophobicContact CE1-CG1 4.47Å; F213-V217 HydrophobicContact CE1-CG2 4.44Å; F213-V217 HydrophobicContact CE2-CG1 4.06Å; F213-V217 HydrophobicContact CZ-CG1 4.05Å; F213-V217 WeakPolarHBondContact O-CG2 3.32Å; F213-V217 PolarHBondContact O-N 3.42Å
214	I	88.5	Confident	86.5	Confident	35 Å²	35	66.4 Å²	66.4	18%	0.179	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-45.7	180	-68.7	-58.5	0	0	0	111.5	F181 N184 I210 R216 V217 E218	F181-I214 HydrophobicContact CB-CD1 4.49Å; N184-I214 HydrophobicContact CB-CD1 4.11Å; I210-I214 HydrophobicContact CG2-CG1 4.18Å; I210-I214 WeakPolarHBondContact O-CG1 3.43Å; I210-I214 PolarHBondContact O-N 2.94Å; I214-R216 VanDerWaalsContact C-N 3.29Å; I214-R216 PolarHBondContact O-N 2.94Å; I214-V217 WeakPolarHBondContact O-CG2 3.39Å; I214-V217 PolarHBondContact O-N 3.27Å; I214-E218 VanDerWaalsContact O-CB 3.3Å; I214-E218 WeakPolarHBondContact O-CB 3.49Å; I214-E218 PolarHBondContact O-N 2.82Å
215	K	88.2	Confident	87.9	Confident	127 Å²	127	60.6 Å²	60.6	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-61.4	-35.5	178.2	-75.9	170.9	-175	172.7	0	113.1	S211 F213	S211-K215 WeakPolarHBondContact O-CB 3.48Å; S211-K215 WeakPolarHBondContact O-CD 3.4Å; S211-K215 WeakPolarHBondContact O-CG 3.28Å; S211-K215 PolarHBondContact O-N 3.44Å; F213-K215 PolarHBondContact O-N 2.8Å
216	R	86.7	Confident	88.8	Confident	84 Å²	84	59.3 Å²	59.3	32%	0.317	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-52.3	175.7	-177.4	-172.7	85.7	102.4	-5.8	109.7	E191 D212 F213 I214 Q220	E191-R216 IonicContact OE2-CZ 3.39Å; E191-R216 IonicContact OE2-NH1 3.77Å; E191-R216 IonicContact OE2-NH2 3.62Å; E191-R216 PolarHBondContact OE2-NH2 3.49Å; D212-R216 PolarHBondContact O-N 2.99Å; D212-R216 VanDerWaalsContact O-N 3.08Å; F213-R216 WeakPolarHBondContact O-CB 3.42Å; F213-R216 PolarHBondContact O-N 2.77Å; I214-R216 VanDerWaalsContact C-N 3.29Å; I214-R216 PolarHBondContact O-N 2.94Å; R216-Q220 PolarHBondContact O-OE1 3.33Å
217	V	89.5	Confident	89.5	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-82.2	-27.9	-167.7	-60.8	0	0	0	0	114	N184 W188 F213 I214 K219 Q220 L221	N184-V217 HydrophobicContact CB-CG2 4.03Å; W188-V217 HydrophobicContact CB-CG1 4.4Å; W188-V217 HydrophobicContact CD2-CB 4.23Å; W188-V217 HydrophobicContact CD2-CG1 4.01Å; W188-V217 HydrophobicContact CG-CB 4.17Å; W188-V217 HydrophobicContact CG-CG1 3.72Å; W188-V217 HydrophobicContact CZ2-CB 4.28Å; W188-V217 VanDerWaalsContact NE1-CB 3.33Å; F213-V217 HydrophobicContact CD2-CG1 4.49Å; F213-V217 HydrophobicContact CE1-CG1 4.47Å; F213-V217 HydrophobicContact CE1-CG2 4.44Å; F213-V217 HydrophobicContact CE2-CG1 4.06Å; F213-V217 HydrophobicContact CZ-CG1 4.05Å; F213-V217 WeakPolarHBondContact O-CG2 3.32Å; F213-V217 PolarHBondContact O-N 3.42Å; I214-V217 WeakPolarHBondContact O-CG2 3.39Å; I214-V217 PolarHBondContact O-N 3.27Å; V217-K219 VanDerWaalsContact C-N 3.26Å; V217-K219 PolarHBondContact O-N 2.84Å; V217-Q220 WeakPolarHBondContact O-CB 3.35Å; V217-Q220 PolarHBondContact O-N 2.93Å; V217-L221 PolarHBondContact O-N 2.94Å
218	E	89	Confident	90.1	Very high	120 Å²	120	57 Å²	57	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-58.4	-38.9	178.9	-174.6	176.4	-162.6	0	0	111.9	I214 Q220 L221	I214-E218 VanDerWaalsContact O-CB 3.3Å; I214-E218 WeakPolarHBondContact O-CB 3.49Å; I214-E218 PolarHBondContact O-N 2.82Å; E218-Q220 PolarHBondContact O-N 3.46Å; E218-L221 PolarHBondContact O-N 3.46Å
219	K	86.4	Confident	91.2	Very high	172 Å²	172	51.3 Å²	51.3	75%	0.748	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-22	176.8	-65	-178.9	179.5	-178.6	0	113.7	V217 R456	V217-K219 VanDerWaalsContact C-N 3.26Å; V217-K219 PolarHBondContact O-N 2.84Å; K219-R456 PolarHBondContact O-NH2 2.83Å
220	Q	92.8	Very high	91.9	Very high	38 Å²	38	47.3 Å²	47.3	18%	0.178	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-11.2	-177	-59.4	-179.1	-91.5	0	0	112.1	W188 R216 V217 E218 V222 K472 Y473 G474	W188-Q220 HydrophobicContact CH2-CB 3.29Å; W188-Q220 HydrophobicContact CH2-CG 4.36Å; W188-Q220 HydrophobicContact CZ2-CB 3.63Å; W188-Q220 HydrophobicContact CZ3-CB 4.19Å; R216-Q220 PolarHBondContact O-OE1 3.33Å; V217-Q220 WeakPolarHBondContact O-CB 3.35Å; V217-Q220 PolarHBondContact O-N 2.93Å; E218-Q220 PolarHBondContact O-N 3.46Å; Q220-V222 PolarHBondContact O-N 2.82Å; Q220-K472 WeakPolarHBondContact CB-O 3.46Å; Q220-K472 PolarHBondContact NE2-O 3.04Å; Q220-Y473 CarbonylContact O-C 3.57Å; Q220-Y473 VanDerWaalsContact O-CA 3.26Å; Q220-Y473 WeakPolarHBondContact O-CA 3.41Å; Q220-G474 PolarHBondContact O-N 2.96Å
221	L	95.6	Very high	92.4	Very high	17 Å²	17	53.1 Å²	53.1	9%	0.089	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.2	172.7	-70.8	172.2	0	0	0	110	L187 W188 V217 E218 N224 G474 I476	L187-L221 HydrophobicContact CD2-CD2 3.5Å; W188-L221 HydrophobicContact CZ2-CD2 4.01Å; W188-L221 HydrophobicContact CZ2-CG 4.27Å; V217-L221 PolarHBondContact O-N 2.94Å; E218-L221 PolarHBondContact O-N 3.46Å; L221-N224 HydrophobicContact CB-CB 4.39Å; L221-N224 HydrophobicContact CD1-CB 4.1Å; L221-G474 WeakPolarHBondContact CA-O 3.16Å; L221-I476 HydrophobicContact CD1-CD1 4.13Å; L221-I476 HydrophobicContact CD2-CD1 4.15Å; L221-I476 HydrophobicContact CD2-CG1 4.02Å
222	V	96.1	Very high	92.9	Very high	12 Å²	12	51.4 Å²	51.4	7%	0.073	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-25.2	175.4	-63.1	0	0	0	0	111.9	Q220 L460 W467 Y473 G474 F475	Q220-V222 PolarHBondContact O-N 2.82Å; V222-L460 HydrophobicContact CB-CD1 4.17Å; V222-L460 HydrophobicContact CG1-CD1 3.54Å; V222-L460 HydrophobicContact CG1-CD2 4.19Å; V222-L460 HydrophobicContact CG1-CG 4.5Å; V222-W467 HydrophobicContact CG1-CE3 4.46Å; V222-W467 HydrophobicContact CG1-CZ3 4.43Å; V222-W467 HydrophobicContact CG2-CZ3 4.16Å; V222-Y473 HydrophobicContact CG1-CD1 3.59Å; V222-Y473 HydrophobicContact CG1-CG 4.01Å; V222-G474 WeakPolarHBondContact CG2-O 3.37Å; V222-G474 PolarHBondContact N-O 2.81Å; V222-F475 HydrophobicContact CG2-CD1 3.84Å; V222-F475 HydrophobicContact CG2-CD2 3.76Å; V222-F475 HydrophobicContact CG2-CE1 3.54Å; V222-F475 HydrophobicContact CG2-CE2 3.43Å; V222-F475 VanDerWaalsContact CG2-CE2 3.43Å; V222-F475 HydrophobicContact CG2-CG 3.96Å; V222-F475 HydrophobicContact CG2-CZ 3.32Å
223	V	96.6	Very high	93.4	Very high	15 Å²	15	47.3 Å²	47.3	9%	0.091	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.4	167.8	-173.5	0	0	0	0	108.2	G451 V452 F475 I476 Q477	V223-G451 WeakPolarHBondContact CG2-O 3.28Å; V223-V452 HydrophobicContact CG2-CG2 4.19Å; V223-F475 HydrophobicContact CB-CD1 3.87Å; V223-F475 HydrophobicContact CB-CE1 4.47Å; V223-F475 HydrophobicContact CG2-CD1 3.63Å; V223-F475 HydrophobicContact CG2-CE1 3.74Å; V223-I476 PolarHBondContact O-N 2.73Å; V223-Q477 HydrophobicContact CB-CG 3.8Å; V223-Q477 HydrophobicContact CG1-CG 3.52Å; V223-Q477 HydrophobicContact CG2-CG 4.47Å
224	N	96.7	Very high	93.5	Very high	76 Å²	76	53.3 Å²	53.3	41%	0.406	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	89.8	-177.4	-173.5	9.7	0	0	0	112.4	L221 G226	L221-N224 HydrophobicContact CB-CB 4.39Å; L221-N224 HydrophobicContact CD1-CB 4.1Å; N224-G226 PolarHBondContact O-N 2.8Å; N224-G226 WeakPolarHBondContact OD1-CA 3.26Å; N224-G226 PolarHBondContact OD1-N 3.01Å
225	D	97.6	Very high	93.6	Very high	23 Å²	23	53.1 Å²	53.1	12%	0.123	25%	0.245	C	C	.	.			trans	-86.6	15.3	169.1	-66.7	-33.3	0	0	0	112.5	D227 A228 L229 P428 I476 Q477 I478	D225-D227 PolarHBondContact O-N 2.71Å; D225-A228 WeakPolarHBondContact O-CB 3.22Å; D225-A228 PolarHBondContact O-N 3.16Å; D225-A228 VanDerWaalsContact O-N 3.08Å; D225-L229 PolarHBondContact O-N 3.14Å; D225-P428 HydrophobicContact CB-CG 4.3Å; D225-I476 PolarHBondContact N-O 2.71Å; D225-Q477 WeakPolarHBondContact OD2-CA 3.23Å; D225-I478 HydrophobicContact CB-CB 4.41Å; D225-I478 HydrophobicContact CB-CD1 4.1Å; D225-I478 HydrophobicContact CB-CG1 3.95Å; D225-I478 PolarHBondContact OD2-N 2.92Å
226	G	96.9	Very high	93.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.7	-43.9	-175.6	0	0	0	0	0	113.3	N224 A228 L229 H230	N224-G226 PolarHBondContact O-N 2.8Å; N224-G226 WeakPolarHBondContact OD1-CA 3.26Å; N224-G226 PolarHBondContact OD1-N 3.01Å; G226-A228 VanDerWaalsContact C-N 3.32Å; G226-A228 PolarHBondContact O-N 3.17Å; G226-L229 WeakPolarHBondContact O-CB 3.46Å; G226-L229 PolarHBondContact O-N 3.07Å; G226-H230 PolarHBondContact O-N 3.43Å
227	D	95.5	Very high	94	Very high	80 Å²	80	46.4 Å²	46.4	43%	0.428	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-36.8	177.1	-68.2	-11.3	0	0	0	112.1	D225 L229 H230 R231	D225-D227 PolarHBondContact O-N 2.71Å; D227-L229 VanDerWaalsContact C-N 3.35Å; D227-H230 PolarHBondContact O-N 3.34Å; D227-R231 WeakPolarHBondContact O-CB 3.34Å; D227-R231 WeakPolarHBondContact O-CG 3.18Å; D227-R231 PolarHBondContact O-N 3.35Å
228	A	96.1	Very high	94	Very high	8 Å²	8	50.4 Å²	50.4	7%	0.066	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-40.1	176.2	0	0	0	0	0	111	D225 G226 R231 F232 P428 T430 I478	D225-A228 WeakPolarHBondContact O-CB 3.22Å; D225-A228 PolarHBondContact O-N 3.16Å; D225-A228 VanDerWaalsContact O-N 3.08Å; G226-A228 VanDerWaalsContact C-N 3.32Å; G226-A228 PolarHBondContact O-N 3.17Å; A228-R231 PolarHBondContact O-N 3.07Å; A228-F232 PolarHBondContact O-N 3.17Å; A228-P428 HydrophobicContact CB-CB 4.27Å; A228-P428 HydrophobicContact CB-CG 4.34Å; A228-T430 HydrophobicContact CB-CG2 3.89Å; A228-T430 VanDerWaalsContact O-CG2 3.25Å; A228-T430 WeakPolarHBondContact O-CG2 3.21Å; A228-I478 HydrophobicContact CB-CD1 3.77Å
229	L	97.7	Very high	94.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-43.8	174.6	-177.5	59.1	0	0	0	111.7	F179 L183 D225 G226 D227 R231 F232 C233 L373 M437 V439 I478	F179-L229 HydrophobicContact CZ-CB 4.24Å; F179-L229 HydrophobicContact CZ-CD2 3.99Å; F179-L229 HydrophobicContact CZ-CG 3.84Å; L183-L229 HydrophobicContact CD1-CD2 4.03Å; L183-L229 HydrophobicContact CD2-CD2 4.22Å; D225-L229 PolarHBondContact O-N 3.14Å; G226-L229 WeakPolarHBondContact O-CB 3.46Å; G226-L229 PolarHBondContact O-N 3.07Å; D227-L229 VanDerWaalsContact C-N 3.35Å; L229-R231 VanDerWaalsContact C-N 3.34Å; L229-R231 PolarHBondContact O-N 3.47Å; L229-F232 HydrophobicContact CD1-CD1 4.25Å; L229-F232 WeakPolarHBondContact O-CB 3.45Å; L229-F232 PolarHBondContact O-N 3.06Å; L229-C233 PolarHBondContact O-N 2.9Å; L229-C233 PolarHBondContact O-SG 3.17Å; L229-L373 HydrophobicContact CD1-CD1 3.82Å; L229-L373 HydrophobicContact CD1-CD2 4.38Å; L229-M437 HydrophobicContact CD1-CG 4.45Å; L229-M437 HydrophobicContact CD1-SD 3.54Å; L229-M437 VanDerWaalsContact CD1-SD 3.54Å; L229-V439 HydrophobicContact CD1-CG2 3.7Å; L229-V439 HydrophobicContact CD2-CG1 4.15Å; L229-V439 HydrophobicContact CD2-CG2 4.07Å; L229-V439 HydrophobicContact CG-CG2 4.46Å; L229-I478 HydrophobicContact CB-CD1 4.36Å
230	H	96.2	Very high	94.2	Very high	29 Å²	29	41.7 Å²	41.7	13%	0.134	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-44.3	175.3	-176.2	-131.1	0	0	0	111.4	E176 F179 G226 D227 F232 C233 K234	E176-H230 IonicContact OE1-ND1 3.04Å; F179-H230 HydrophobicContact CD1-CB 3.71Å; F179-H230 AromaticContact CD1-CD2 3.89Å; F179-H230 AromaticContact CD1-CG 3.95Å; F179-H230 AromaticContact CD2-CD2 3.9Å; F179-H230 HydrophobicContact CE1-CB 3.58Å; F179-H230 HydrophobicContact CG-CB 4.29Å; F179-H230 AromaticContact CG-CD2 3.61Å; F179-H230 HydrophobicContact CZ-CB 4.06Å; G226-H230 PolarHBondContact O-N 3.43Å; D227-H230 PolarHBondContact O-N 3.34Å; H230-F232 VanDerWaalsContact C-N 3.34Å; H230-F232 PolarHBondContact O-N 2.83Å; H230-C233 PolarHBondContact O-N 3.06Å; H230-K234 PolarHBondContact O-N 3.27Å
231	R	94.7	Very high	93.9	Very high	136 Å²	136	44.5 Å²	44.5	51%	0.513	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-40.2	174.6	-76.4	-169	-59.1	-91	4.6	112.6	D227 A228 L229 K234 S235	D227-R231 WeakPolarHBondContact O-CB 3.34Å; D227-R231 WeakPolarHBondContact O-CG 3.18Å; D227-R231 PolarHBondContact O-N 3.35Å; A228-R231 PolarHBondContact O-N 3.07Å; L229-R231 VanDerWaalsContact C-N 3.34Å; L229-R231 PolarHBondContact O-N 3.47Å; R231-K234 PolarHBondContact O-N 3.37Å; R231-S235 VanDerWaalsContact O-CB 3.3Å; R231-S235 WeakPolarHBondContact O-CB 3.48Å; R231-S235 PolarHBondContact O-N 2.7Å; R231-S235 PolarHBondContact O-OG 2.96Å
232	F	95.7	Very high	93.6	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.044	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-48.2	174	164.8	-99.3	0	0	0	111.8	A228 L229 H230 K234 S235 F236 L249 L373 T430 M437	A228-F232 PolarHBondContact O-N 3.17Å; L229-F232 HydrophobicContact CD1-CD1 4.25Å; L229-F232 WeakPolarHBondContact O-CB 3.45Å; L229-F232 PolarHBondContact O-N 3.06Å; H230-F232 VanDerWaalsContact C-N 3.34Å; H230-F232 PolarHBondContact O-N 2.83Å; F232-K234 VanDerWaalsContact C-N 3.29Å; F232-K234 PolarHBondContact O-N 3.36Å; F232-S235 PolarHBondContact O-N 2.95Å; F232-S235 PolarHBondContact O-OG 3.02Å; F232-S235 VanDerWaalsContact O-OG 3.07Å; F232-F236 HydrophobicContact CZ-CD2 4.4Å; F232-F236 WeakPolarHBondContact O-CB 3.42Å; F232-F236 PolarHBondContact O-N 3.09Å; F232-L249 HydrophobicContact CE1-CD1 4.37Å; F232-L249 HydrophobicContact CE1-CD2 3.98Å; F232-L249 HydrophobicContact CZ-CD2 4.08Å; F232-L373 HydrophobicContact CE1-CB 4.35Å; F232-T430 WeakPolarHBondContact CD2-O 3.45Å; F232-M437 HydrophobicContact CB-CE 3.58Å; F232-M437 HydrophobicContact CB-SD 3.74Å; F232-M437 HydrophobicContact CD1-CB 4.22Å; F232-M437 HydrophobicContact CD1-CE 3.98Å; F232-M437 HydrophobicContact CD1-CG 4.43Å; F232-M437 HydrophobicContact CD1-SD 3.44Å; F232-M437 WeakPolarHBondContact CD1-SD 3.28Å; F232-M437 HydrophobicContact CD2-CE 3.38Å; F232-M437 HydrophobicContact CD2-SD 4.02Å; F232-M437 HydrophobicContact CE1-CB 3.77Å; F232-M437 HydrophobicContact CE1-CG 4.43Å; F232-M437 HydrophobicContact CE1-SD 4Å; F232-M437 HydrophobicContact CE2-CB 4.1Å; F232-M437 HydrophobicContact CE2-CE 4.01Å; F232-M437 HydrophobicContact CG-CE 3.35Å; F232-M437 HydrophobicContact CG-SD 3.44Å; F232-M437 WeakPolarHBondContact CG-SD 3.39Å; F232-M437 HydrophobicContact CZ-CB 3.7Å; F232-M437 HydrophobicContact CZ-SD 4.49Å
233	C	95.7	Very high	93.3	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.034	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-42.5	178.4	-68.7	0	0	0	0	111.9	L229 H230 S237 L249 I277	L229-C233 PolarHBondContact O-N 2.9Å; L229-C233 PolarHBondContact O-SG 3.17Å; H230-C233 PolarHBondContact O-N 3.06Å; C233-S237 PolarHBondContact O-N 2.81Å; C233-L249 HydrophobicContact CB-CD1 4.19Å; C233-I277 HydrophobicContact CB-CG2 4.25Å
234	K	91.6	Very high	92.8	Very high	131 Å²	131	59 Å²	59	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-66.6	-50	177.5	-173.7	177.3	-179.9	179.5	0	112.2	H230 R231 F232 F236 S237 D238	H230-K234 PolarHBondContact O-N 3.27Å; R231-K234 PolarHBondContact O-N 3.37Å; F232-K234 VanDerWaalsContact C-N 3.29Å; F232-K234 PolarHBondContact O-N 3.36Å; K234-F236 VanDerWaalsContact C-N 3.26Å; K234-F236 PolarHBondContact O-N 3.17Å; K234-S237 PolarHBondContact O-N 3.32Å; K234-S237 VanDerWaalsContact O-N 3.14Å; K234-D238 PolarHBondContact O-N 3.15Å
235	S	91	Very high	92.5	Very high	31 Å²	31	57.4 Å²	57.4	22%	0.217	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-36.8	-178.8	75.1	0	0	0	0	111.6	R231 F232 D238 N239 T430	R231-S235 VanDerWaalsContact O-CB 3.3Å; R231-S235 WeakPolarHBondContact O-CB 3.48Å; R231-S235 PolarHBondContact O-N 2.7Å; R231-S235 PolarHBondContact O-OG 2.96Å; F232-S235 PolarHBondContact O-N 2.95Å; F232-S235 PolarHBondContact O-OG 3.02Å; F232-S235 VanDerWaalsContact O-OG 3.07Å; S235-D238 PolarHBondContact O-N 3.45Å; S235-N239 WeakPolarHBondContact O-CB 3.47Å; S235-N239 PolarHBondContact O-N 3.1Å; S235-N239 PolarHBondContact O-ND2 3.15Å; S235-T430 PolarHBondContact OG-O 3.01Å
236	F	93.1	Very high	91.9	Very high	25 Å²	25	63.5 Å²	63.5	11%	0.11	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-49.1	174.7	-170.9	-83.4	0	0	0	111.2	F232 K234 N239 M240 H247 L249 D372	F232-F236 HydrophobicContact CZ-CD2 4.4Å; F232-F236 WeakPolarHBondContact O-CB 3.42Å; F232-F236 PolarHBondContact O-N 3.09Å; K234-F236 VanDerWaalsContact C-N 3.26Å; K234-F236 PolarHBondContact O-N 3.17Å; F236-N239 PolarHBondContact O-N 3.35Å; F236-M240 HydrophobicContact CD1-CG 4.12Å; F236-M240 HydrophobicContact CE1-CE 4.14Å; F236-M240 HydrophobicContact CE1-CG 3.88Å; F236-M240 HydrophobicContact CE2-CE 3.96Å; F236-M240 HydrophobicContact CZ-CE 3.76Å; F236-M240 HydrophobicContact CZ-CG 4.44Å; F236-M240 WeakPolarHBondContact O-CG 3.25Å; F236-M240 PolarHBondContact O-N 2.79Å; F236-H247 AromaticContact CE1-CD2 3.69Å; F236-H247 AromaticContact CZ-CD2 3.48Å; F236-H247 VanDerWaalsContact CZ-CD2 3.48Å; F236-H247 WeakPolarHBondContact CZ-CD2 3.28Å; F236-H247 AromaticContact CZ-NE2 3.71Å; F236-L249 HydrophobicContact CB-CD2 4.14Å; F236-L249 HydrophobicContact CD1-CD2 3.55Å; F236-L249 HydrophobicContact CD1-CG 3.74Å; F236-L249 HydrophobicContact CD2-CD2 3.61Å; F236-L249 HydrophobicContact CE1-CD2 3.72Å; F236-L249 HydrophobicContact CE1-CG 4.03Å; F236-L249 HydrophobicContact CE2-CD2 3.77Å; F236-L249 HydrophobicContact CG-CD2 3.49Å; F236-L249 VanDerWaalsContact CG-CD2 3.49Å; F236-L249 HydrophobicContact CG-CG 4.07Å; F236-L249 HydrophobicContact CZ-CD2 3.8Å; F236-D372 HydrophobicContact CE2-CB 4.05Å; F236-D372 HydrophobicContact CZ-CB 4.13Å
237	S	90.4	Very high	91.6	Very high	44 Å²	44	66.1 Å²	66.1	31%	0.308	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-48.3	178	-169.8	0	0	0	0	111.9	C233 K234 N239 M240 N241	C233-S237 PolarHBondContact O-N 2.81Å; K234-S237 PolarHBondContact O-N 3.32Å; K234-S237 VanDerWaalsContact O-N 3.14Å; S237-N239 VanDerWaalsContact C-N 3.32Å; S237-N239 PolarHBondContact O-N 2.85Å; S237-M240 PolarHBondContact O-N 3.49Å; S237-N241 WeakPolarHBondContact O-CB 3.45Å; S237-N241 VanDerWaalsContact O-CG 3.24Å; S237-N241 PolarHBondContact O-N 2.8Å; S237-N241 PolarHBondContact O-ND2 3.4Å
238	D	89.6	Confident	91.6	Very high	85 Å²	85	65.3 Å²	65.3	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-61.4	-39.8	179.3	-68.1	-20.5	0	0	0	111.9	K234 S235 S242	K234-D238 PolarHBondContact O-N 3.15Å; S235-D238 PolarHBondContact O-N 3.45Å; D238-S242 WeakPolarHBondContact O-CB 3.39Å; D238-S242 PolarHBondContact O-N 3.03Å; D238-S242 PolarHBondContact O-OG 3.2Å
239	N	89.2	Confident	91.7	Very high	76 Å²	76	65 Å²	65	41%	0.406	34%	0.342	S	S	.	.	H	α-helix	trans	-67.9	-35.4	176.9	-76.9	-35.6	0	0	0	113	S235 F236 S237 S242 R243	S235-N239 WeakPolarHBondContact O-CB 3.47Å; S235-N239 PolarHBondContact O-N 3.1Å; S235-N239 PolarHBondContact O-ND2 3.15Å; F236-N239 PolarHBondContact O-N 3.35Å; S237-N239 VanDerWaalsContact C-N 3.32Å; S237-N239 PolarHBondContact O-N 2.85Å; N239-S242 WeakPolarHBondContact CA-OG 3.3Å; N239-S242 PolarHBondContact O-OG 3.22Å; N239-S242 VanDerWaalsContact O-OG 3.05Å; N239-R243 WeakPolarHBondContact O-CD 3.47Å; N239-R243 VanDerWaalsContact O-CG 3.28Å; N239-R243 WeakPolarHBondContact O-CG 3.47Å; N239-R243 PolarHBondContact O-N 3.45Å
240	M	88.6	Confident	91.7	Very high	33 Å²	33	67.2 Å²	67.2	16%	0.163	35%	0.35	C	S	.	.	H	α-helix	trans	-73.2	-44.3	176	-66.7	-59	161.7	0	0	111.1	F236 S237 S242 R243 G244 S245 H247	F236-M240 HydrophobicContact CD1-CG 4.12Å; F236-M240 HydrophobicContact CE1-CE 4.14Å; F236-M240 HydrophobicContact CE1-CG 3.88Å; F236-M240 HydrophobicContact CE2-CE 3.96Å; F236-M240 HydrophobicContact CZ-CE 3.76Å; F236-M240 HydrophobicContact CZ-CG 4.44Å; F236-M240 WeakPolarHBondContact O-CG 3.25Å; F236-M240 PolarHBondContact O-N 2.79Å; S237-M240 PolarHBondContact O-N 3.49Å; M240-S242 PolarHBondContact O-N 2.92Å; M240-R243 CarbonylContact O-C 3.48Å; M240-R243 PolarHBondContact O-N 3.48Å; M240-R243 VanDerWaalsContact O-N 3.1Å; M240-G244 PolarHBondContact O-N 3.02Å; M240-S245 CarbonylContact C-O 3.38Å; M240-S245 VanDerWaalsContact C-O 3.29Å; M240-S245 WeakPolarHBondContact O-CB 3.43Å; M240-S245 PolarHBondContact O-N 2.8Å; M240-S245 VanDerWaalsContact O-O 3.11Å; M240-H247 VanDerWaalsContact CB-O 3.32Å; M240-H247 WeakPolarHBondContact CB-O 3.37Å; M240-H247 HydrophobicContact CG-CB 4.26Å; M240-H247 VanDerWaalsContact CG-O 3.29Å; M240-H247 WeakPolarHBondContact CG-O 3.23Å; M240-H247 HydrophobicContact SD-CB 4Å
241	N	87.8	Confident	91.8	Very high	97 Å²	97	65.8 Å²	65.8	52%	0.519	34%	0.344	S	S	.	.	H	α-helix	trans	-59.9	-44.7	176.8	-69.8	-28.2	0	0	0	112.1	S237 R243 G244	S237-N241 WeakPolarHBondContact O-CB 3.45Å; S237-N241 VanDerWaalsContact O-CG 3.24Å; S237-N241 PolarHBondContact O-N 2.8Å; S237-N241 PolarHBondContact O-ND2 3.4Å; N241-R243 PolarHBondContact O-N 2.83Å; N241-G244 PolarHBondContact O-N 3.15Å
242	S	89.5	Confident	92	Very high	93 Å²	93	59.3 Å²	59.3	65%	0.65	32%	0.319	S	S	*	.	H	α-helix	trans	-65.4	-23.3	177.5	55.8	0	0	0	0	113.8	D238 N239 M240 G244	D238-S242 WeakPolarHBondContact O-CB 3.39Å; D238-S242 PolarHBondContact O-N 3.03Å; D238-S242 PolarHBondContact O-OG 3.2Å; N239-S242 WeakPolarHBondContact CA-OG 3.3Å; N239-S242 PolarHBondContact O-OG 3.22Å; N239-S242 VanDerWaalsContact O-OG 3.05Å; M240-S242 PolarHBondContact O-N 2.92Å; S242-G244 VanDerWaalsContact C-N 3.32Å
243	R	88.7	Confident	92.2	Very high	188 Å²	188	58.9 Å²	58.9	71%	0.709	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	3.2	172.8	-69.1	176.1	-178	-172.4	2.6	113.3	N239 M240 N241 S245	N239-R243 WeakPolarHBondContact O-CD 3.47Å; N239-R243 VanDerWaalsContact O-CG 3.28Å; N239-R243 WeakPolarHBondContact O-CG 3.47Å; N239-R243 PolarHBondContact O-N 3.45Å; M240-R243 CarbonylContact O-C 3.48Å; M240-R243 PolarHBondContact O-N 3.48Å; M240-R243 VanDerWaalsContact O-N 3.1Å; N241-R243 PolarHBondContact O-N 2.83Å; R243-S245 PolarHBondContact O-N 3.05Å
244	G	87.4	Confident	92.3	Very high	69 Å²	69	58.6 Å²	58.6	71%	0.711	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	19.7	-173.8	0	0	0	0	0	113.3	M240 N241 S242	M240-G244 PolarHBondContact O-N 3.02Å; N241-G244 PolarHBondContact O-N 3.15Å; S242-G244 VanDerWaalsContact C-N 3.32Å
245	S	89.2	Confident	92.7	Very high	42 Å²	42	52.4 Å²	52.4	29%	0.294	29%	0.289	S	S	.	.			trans	-95.5	131.4	178.9	-177.6	0	0	0	0	109.9	M240 R243 H247	M240-S245 CarbonylContact C-O 3.38Å; M240-S245 VanDerWaalsContact C-O 3.29Å; M240-S245 WeakPolarHBondContact O-CB 3.43Å; M240-S245 PolarHBondContact O-N 2.8Å; M240-S245 VanDerWaalsContact O-O 3.11Å; R243-S245 PolarHBondContact O-N 3.05Å; S245-H247 PolarHBondContact O-N 3.17Å; S245-H247 WeakPolarHBondContact OG-CB 3.27Å; S245-H247 PolarHBondContact OG-N 3.21Å; S245-H247 VanDerWaalsContact OG-N 3.16Å
246	N	86.3	Confident	93	Very high	151 Å²	151	51.2 Å²	51.2	81%	0.807	28%	0.28	S	S	*	.			trans	-84.7	10.7	169.9	-77.6	-6.8	0	0	0	112.7	K248	N246-K248 PolarHBondContact O-N 2.95Å
247	H	90.2	Very high	93.2	Very high	54 Å²	54	50.2 Å²	50.2	25%	0.25	28%	0.276	C	S	.	.			trans	-61.6	124.9	177.4	-172.9	75.9	0	0	0	110.2	F236 M240 S245 D372	F236-H247 AromaticContact CE1-CD2 3.69Å; F236-H247 AromaticContact CZ-CD2 3.48Å; F236-H247 VanDerWaalsContact CZ-CD2 3.48Å; F236-H247 WeakPolarHBondContact CZ-CD2 3.28Å; F236-H247 AromaticContact CZ-NE2 3.71Å; M240-H247 VanDerWaalsContact CB-O 3.32Å; M240-H247 WeakPolarHBondContact CB-O 3.37Å; M240-H247 HydrophobicContact CG-CB 4.26Å; M240-H247 VanDerWaalsContact CG-O 3.29Å; M240-H247 WeakPolarHBondContact CG-O 3.23Å; M240-H247 HydrophobicContact SD-CB 4Å; S245-H247 PolarHBondContact O-N 3.17Å; S245-H247 WeakPolarHBondContact OG-CB 3.27Å; S245-H247 PolarHBondContact OG-N 3.21Å; S245-H247 VanDerWaalsContact OG-N 3.16Å; H247-D372 IonicContact CE1-OD2 3.41Å; H247-D372 IonicContact NE2-OD2 2.92Å; H247-D372 PolarHBondContact NE2-OD2 3.26Å; H247-D372 VanDerWaalsContact NE2-OD2 3.15Å
248	K	95.1	Very high	93.5	Very high	64 Å²	64	48.5 Å²	48.5	28%	0.278	26%	0.264	S	S	.	.			trans	-112.5	170.9	176.9	-72.5	170	-178.3	163.2	0	109.5	N246 R250 Q276 E279	N246-K248 PolarHBondContact O-N 2.95Å; K248-R250 PolarHBondContact O-N 2.81Å; K248-Q276 VanDerWaalsContact CD-O 3.28Å; K248-Q276 WeakPolarHBondContact CD-O 3.41Å; K248-Q276 VanDerWaalsContact CE-O 3.24Å; K248-Q276 WeakPolarHBondContact CE-O 3.26Å; K248-E279 HydrophobicContact CB-CB 4.04Å
249	L	97.2	Very high	93.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	137.3	179.8	-73.9	174.6	0	0	0	111.2	F232 C233 F236 V251 I277 A278 E279 D372	F232-L249 HydrophobicContact CE1-CD1 4.37Å; F232-L249 HydrophobicContact CE1-CD2 3.98Å; F232-L249 HydrophobicContact CZ-CD2 4.08Å; C233-L249 HydrophobicContact CB-CD1 4.19Å; F236-L249 HydrophobicContact CB-CD2 4.14Å; F236-L249 HydrophobicContact CD1-CD2 3.55Å; F236-L249 HydrophobicContact CD1-CG 3.74Å; F236-L249 HydrophobicContact CD2-CD2 3.61Å; F236-L249 HydrophobicContact CE1-CD2 3.72Å; F236-L249 HydrophobicContact CE1-CG 4.03Å; F236-L249 HydrophobicContact CE2-CD2 3.77Å; F236-L249 HydrophobicContact CG-CD2 3.49Å; F236-L249 VanDerWaalsContact CG-CD2 3.49Å; F236-L249 HydrophobicContact CG-CG 4.07Å; F236-L249 HydrophobicContact CZ-CD2 3.8Å; L249-V251 HydrophobicContact CB-CG2 4.1Å; L249-I277 HydrophobicContact CD1-CG2 3.84Å; L249-I277 PolarHBondContact N-O 2.88Å; L249-A278 HydrophobicContact CB-CB 4.4Å; L249-A278 CarbonylContact O-C 3.52Å; L249-A278 WeakPolarHBondContact O-CA 3.23Å; L249-A278 VanDerWaalsContact O-CB 3.29Å; L249-A278 WeakPolarHBondContact O-CB 3.4Å; L249-E279 PolarHBondContact O-N 2.89Å; L249-D372 HydrophobicContact CD2-CB 3.58Å
250	R	98.1	Very high	93.9	Very high	47 Å²	47	41.3 Å²	41.3	18%	0.177	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.8	166.6	-56.7	169.3	-66.5	159.3	13.7	107.8	K248 Y280 R369 D370 C371 D372 L373	K248-R250 PolarHBondContact O-N 2.81Å; R250-Y280 HydrophobicContact CB-CE1 3.88Å; R250-Y280 HydrophobicContact CB-CE2 4.11Å; R250-Y280 HydrophobicContact CG-CD1 4.15Å; R250-Y280 HydrophobicContact CG-CE1 3.46Å; R250-Y280 VanDerWaalsContact CG-CE1 3.46Å; R250-R369 PolarHBondContact NH1-O 3.14Å; R250-R369 PolarHBondContact NH2-O 3.48Å; R250-D370 WeakPolarHBondContact CB-O 3.45Å; R250-D370 WeakPolarHBondContact CD-O 3.42Å; R250-D370 PolarHBondContact NE-O 3.09Å; R250-C371 WeakPolarHBondContact O-CA 3.21Å; R250-D372 WeakPolarHBondContact CB-OD2 3.49Å; R250-D372 WeakPolarHBondContact CG-OD2 3.39Å; R250-D372 IonicContact CZ-OD1 2.71Å; R250-D372 IonicContact CZ-OD2 3.52Å; R250-D372 PolarHBondContact N-OD2 2.74Å; R250-D372 IonicContact NE-OD1 3.47Å; R250-D372 PolarHBondContact NE-OD1 3.2Å; R250-D372 IonicContact NE-OD2 2.88Å; R250-D372 PolarHBondContact NE-OD2 2.78Å; R250-D372 IonicContact NH2-OD1 2.85Å; R250-D372 PolarHBondContact NH2-OD1 3.42Å; R250-D372 IonicContact NH2-OD2 3.74Å; R250-D372 PolarHBondContact O-N 2.59Å; R250-L373 PolarHBondContact O-N 2.85Å
251	V	98.9	Very high	94.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.5	-169.7	-175.1	0	0	0	0	110.2	L249 I253 F272 A278 Y280 V281 S282 L373 I375	L249-V251 HydrophobicContact CB-CG2 4.1Å; V251-I253 HydrophobicContact CG1-CG1 4.28Å; V251-F272 HydrophobicContact CG1-CE2 4.42Å; V251-A278 HydrophobicContact CG2-CB 3.84Å; V251-Y280 PolarHBondContact N-O 2.71Å; V251-V281 HydrophobicContact CB-CG1 4.29Å; V251-V281 HydrophobicContact CB-CG2 4.21Å; V251-V281 HydrophobicContact CG1-CG1 4.33Å; V251-V281 CarbonylContact O-C 3.57Å; V251-V281 WeakPolarHBondContact O-CA 3.45Å; V251-S282 PolarHBondContact O-N 2.95Å; V251-L373 CarbonylContact C-O 3.49Å; V251-L373 WeakPolarHBondContact CA-O 3.48Å; V251-L373 HydrophobicContact CG1-CD2 4.29Å; V251-L373 HydrophobicContact CG1-CG 4.32Å; V251-L373 HydrophobicContact CG2-CB 4.36Å; V251-L373 HydrophobicContact CG2-CD2 4.33Å; V251-I375 HydrophobicContact CG1-CD1 4.37Å
252	A	98.9	Very high	94.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.2	165.4	0	0	0	0	0	110.2	I254 S282 L367 C371 L373 I374 I375	A252-I254 HydrophobicContact CB-CD1 4.44Å; A252-S282 CarbonylContact C-O 3.6Å; A252-S282 VanDerWaalsContact CA-O 3.27Å; A252-S282 WeakPolarHBondContact CA-O 3.46Å; A252-L367 HydrophobicContact CB-CD2 4.36Å; A252-C371 HydrophobicContact CB-CB 4.46Å; A252-L373 PolarHBondContact N-O 2.85Å; A252-I374 HydrophobicContact CB-CG1 4.32Å; A252-I374 HydrophobicContact CB-CG2 4.37Å; A252-I374 CarbonylContact O-C 3.5Å; A252-I374 WeakPolarHBondContact O-CA 3.34Å; A252-I375 PolarHBondContact O-N 2.98Å
253	I	98.9	Very high	95.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.2	171.2	-57.5	178.9	0	0	0	107.2	V251 L255 A269 V281 S282 F283 H284 I375 K377	V251-I253 HydrophobicContact CG1-CG1 4.28Å; I253-L255 HydrophobicContact CG2-CD2 3.99Å; I253-L255 PolarHBondContact O-N 3.37Å; I253-A269 HydrophobicContact CD1-CB 4.34Å; I253-V281 HydrophobicContact CD1-CG1 3.86Å; I253-V281 HydrophobicContact CG1-CG1 4.02Å; I253-S282 PolarHBondContact N-O 3.35Å; I253-F283 HydrophobicContact CB-CD1 4.27Å; I253-F283 HydrophobicContact CD1-CE1 4.04Å; I253-F283 WeakPolarHBondContact O-CA 3.19Å; I253-H284 PolarHBondContact O-N 2.83Å; I253-I375 CarbonylContact C-O 3.57Å; I253-I375 WeakPolarHBondContact CA-O 3.35Å; I253-I375 HydrophobicContact CG1-CB 4.5Å; I253-K377 HydrophobicContact CG2-CD 4.5Å; I253-K377 HydrophobicContact CG2-CG 3.81Å
254	I	98.9	Very high	95.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	105	175.4	-44.4	-52.4	0	0	0	107.1	A252 H284 W347 L367 I374 I375 F376 K377 N381	A252-I254 HydrophobicContact CB-CD1 4.44Å; I254-H284 HydrophobicContact CD1-CB 3.52Å; I254-H284 HydrophobicContact CG2-CB 4.48Å; I254-W347 HydrophobicContact CD1-CH2 3.89Å; I254-W347 HydrophobicContact CD1-CZ2 3.85Å; I254-W347 HydrophobicContact CG1-CH2 4.26Å; I254-W347 HydrophobicContact CG2-CD2 4.43Å; I254-W347 HydrophobicContact CG2-CE3 4.12Å; I254-W347 HydrophobicContact CG2-CH2 4.09Å; I254-W347 HydrophobicContact CG2-CZ2 4.36Å; I254-W347 HydrophobicContact CG2-CZ3 3.97Å; I254-L367 HydrophobicContact CD1-CD2 4.34Å; I254-I374 HydrophobicContact CD1-CG2 4.29Å; I254-I374 HydrophobicContact CG1-CG2 3.98Å; I254-I375 PolarHBondContact N-O 3.14Å; I254-F376 HydrophobicContact CB-CD1 3.63Å; I254-F376 HydrophobicContact CB-CE1 3.97Å; I254-F376 HydrophobicContact CB-CG 4.32Å; I254-F376 HydrophobicContact CG1-CD1 3.61Å; I254-F376 HydrophobicContact CG1-CE1 3.53Å; I254-F376 HydrophobicContact CG1-CG 4.2Å; I254-F376 HydrophobicContact CG1-CZ 4.03Å; I254-F376 HydrophobicContact CG2-CD1 3.87Å; I254-F376 HydrophobicContact CG2-CE1 4.01Å; I254-K377 VanDerWaalsContact O-CB 3.28Å; I254-K377 WeakPolarHBondContact O-CB 3.3Å; I254-K377 PolarHBondContact O-N 3.11Å; I254-N381 PolarHBondContact O-ND2 3.28Å
255	L	98.9	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.			trans	-73.5	148.3	-167.2	-68	171.1	0	0	0	112.2	I253 L262 D265 F283 H284 K286 V295 F341 N381	I253-L255 HydrophobicContact CG2-CD2 3.99Å; I253-L255 PolarHBondContact O-N 3.37Å; L255-L262 HydrophobicContact CD1-CD1 3.99Å; L255-L262 HydrophobicContact CD2-CD1 3.98Å; L255-D265 HydrophobicContact CD2-CB 4.08Å; L255-D265 VanDerWaalsContact CD2-OD2 3.31Å; L255-D265 WeakPolarHBondContact CD2-OD2 3.3Å; L255-F283 HydrophobicContact CD1-CB 3.88Å; L255-F283 HydrophobicContact CD1-CD1 4.36Å; L255-F283 HydrophobicContact CD2-CD1 4.11Å; L255-F283 HydrophobicContact CG-CB 4.43Å; L255-F283 HydrophobicContact CG-CD1 4.46Å; L255-H284 PolarHBondContact N-O 3.02Å; L255-K286 PolarHBondContact O-NZ 2.8Å; L255-V295 HydrophobicContact CB-CB 4.07Å; L255-V295 HydrophobicContact CB-CG2 4.07Å; L255-V295 HydrophobicContact CD1-CB 3.9Å; L255-V295 HydrophobicContact CD1-CG1 3.75Å; L255-V295 HydrophobicContact CD1-CG2 4.12Å; L255-F341 HydrophobicContact CD1-CE2 4.18Å; L255-N381 PolarHBondContact O-ND2 3.26Å
256	D	98.5	Very high	96.7	Very high	6 Å²	6	16.8 Å²	16.8	3%	0.032	8%	0.084	C	C	.	.			trans	-104.5	-100.8	167.1	-160.1	35.4	0	0	0	108.3	N190 D294 V295 K377 G378	N190-D256 PolarHBondContact ND2-OD2 3.21Å; D256-D294 CarbonylContact O-C 3.55Å; D256-D294 WeakPolarHBondContact O-CA 3.37Å; D256-V295 PolarHBondContact O-N 3.11Å; D256-K377 HydrophobicContact CB-CB 3.99Å; D256-K377 WeakPolarHBondContact CB-O 3.18Å; D256-G378 WeakPolarHBondContact OD2-CA 3.38Å
257	N	97.7	Very high	97.3	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.021	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-89.8	149.3	-171.5	-55.9	-70.6	0	0	0	115.1	N190 E261 L262 S293 V295	N190-N257 PolarHBondContact ND2-ND2 3.36Å; N257-E261 HydrophobicContact CB-CB 4.28Å; N257-E261 VanDerWaalsContact CB-OE2 3.22Å; N257-E261 WeakPolarHBondContact CB-OE2 3.48Å; N257-E261 PolarHBondContact N-OE2 3.3Å; N257-E261 PolarHBondContact ND2-OE2 2.79Å; N257-L262 PolarHBondContact O-N 3.08Å; N257-S293 WeakPolarHBondContact OD1-CB 3.38Å; N257-S293 PolarHBondContact OD1-OG 2.74Å; N257-V295 VanDerWaalsContact O-CG2 3.25Å; N257-V295 WeakPolarHBondContact O-CG2 3.26Å
258	S	96.7	Very high	97.7	Very high	8 Å²	8	7 Å²	7	6%	0.056	3%	0.034	C	C	.	.	S	Bend	trans	-71.9	-175.5	163.2	60.2	0	0	0	0	111.3	K149 S293	K149-S258 WeakPolarHBondContact CD-OG 3.48Å; S258-S293 WeakPolarHBondContact CB-O 3.2Å; S258-S293 PolarHBondContact N-O 3.17Å; S258-S293 PolarHBondContact OG-O 2.77Å
259	G	93.3	Very high	97.9	Very high	8 Å²	8	4 Å²	4	8%	0.082	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-139.2	179.4	0	0	0	0	0	112.1	E261 L262 V263	G259-E261 VanDerWaalsContact C-N 3.3Å; G259-E261 PolarHBondContact O-N 2.66Å; G259-L262 PolarHBondContact O-N 3.28Å; G259-V263 PolarHBondContact O-N 3.46Å
260	P	93.6	Very high	97.9	Very high	3 Å²	3	4.2 Å²	4.2	2%	0.019	2%	0.022	C	C	.	.	H	α-helix	trans	-65.1	-29.3	-178.3	27.1	-35.4	0	0	0	113.7	A156 F159 I160 F192 V263 A264	A156-P260 HydrophobicContact CB-CB 3.78Å; A156-P260 HydrophobicContact CB-CG 3.63Å; F159-P260 HydrophobicContact CD1-CB 3.78Å; F159-P260 HydrophobicContact CE1-CB 4.1Å; I160-P260 HydrophobicContact CD1-CB 4.25Å; I160-P260 HydrophobicContact CG1-CB 3.95Å; F192-P260 HydrophobicContact CB-CG 3.33Å; F192-P260 HydrophobicContact CD1-CB 4.43Å; F192-P260 HydrophobicContact CD1-CG 3.67Å; F192-P260 HydrophobicContact CD2-CB 4.34Å; F192-P260 HydrophobicContact CD2-CG 3.95Å; F192-P260 HydrophobicContact CE1-CG 4.46Å; F192-P260 HydrophobicContact CG-CB 4.2Å; F192-P260 HydrophobicContact CG-CG 3.38Å; P260-V263 PolarHBondContact O-N 3.31Å; P260-A264 PolarHBondContact O-N 3.1Å
261	E	96.6	Very high	97.9	Very high	1 Å²	1	2 Å²	2	1%	0.005	1%	0.013	C	C	.	.	H	α-helix	trans	-62.4	-48.9	175.5	-175.8	168.7	-168.2	0	0	111.4	A189 N190 N257 G259 V263 A264 D265 K377	A189-E261 HydrophobicContact CB-CB 4.16Å; A189-E261 HydrophobicContact CB-CG 4.45Å; N190-E261 VanDerWaalsContact ND2-CD 3.25Å; N190-E261 PolarHBondContact ND2-OE1 2.89Å; N190-E261 PolarHBondContact ND2-OE2 2.69Å; N257-E261 HydrophobicContact CB-CB 4.28Å; N257-E261 VanDerWaalsContact CB-OE2 3.22Å; N257-E261 WeakPolarHBondContact CB-OE2 3.48Å; N257-E261 PolarHBondContact N-OE2 3.3Å; N257-E261 PolarHBondContact ND2-OE2 2.79Å; G259-E261 VanDerWaalsContact C-N 3.3Å; G259-E261 PolarHBondContact O-N 2.66Å; E261-V263 VanDerWaalsContact C-N 3.27Å; E261-V263 PolarHBondContact O-N 2.79Å; E261-A264 PolarHBondContact O-N 3.13Å; E261-A264 VanDerWaalsContact O-N 3.08Å; E261-D265 PolarHBondContact O-N 3.38Å; E261-K377 VanDerWaalsContact OE1-CE 3.23Å; E261-K377 WeakPolarHBondContact OE1-CE 3.47Å; E261-K377 IonicContact OE1-NZ 3.75Å
262	L	98.5	Very high	97.9	Very high	1 Å²	1	2 Å²	2	1%	0.005	1%	0.013	C	C	.	.	H	α-helix	trans	-60.7	-35.2	175.7	-179.6	58.1	0	0	0	112.7	L255 N257 G259 L266 V295 F300 L303	L255-L262 HydrophobicContact CD1-CD1 3.99Å; L255-L262 HydrophobicContact CD2-CD1 3.98Å; N257-L262 PolarHBondContact O-N 3.08Å; G259-L262 PolarHBondContact O-N 3.28Å; L262-L266 HydrophobicContact CD1-CD1 4.3Å; L262-L266 HydrophobicContact CD1-CG 4.35Å; L262-L266 HydrophobicContact CG-CD1 4.13Å; L262-L266 WeakPolarHBondContact O-CB 3.11Å; L262-L266 WeakPolarHBondContact O-CD1 3.38Å; L262-L266 VanDerWaalsContact O-CG 3.27Å; L262-L266 WeakPolarHBondContact O-CG 3.34Å; L262-L266 PolarHBondContact O-N 3.23Å; L262-V295 HydrophobicContact CB-CG2 4.22Å; L262-V295 HydrophobicContact CD1-CG1 4.41Å; L262-V295 HydrophobicContact CD1-CG2 4.27Å; L262-V295 HydrophobicContact CD2-CG1 3.91Å; L262-V295 HydrophobicContact CD2-CG2 4.15Å; L262-V295 HydrophobicContact CG-CG2 4.45Å; L262-F300 HydrophobicContact CD1-CD2 3.84Å; L262-F300 HydrophobicContact CD1-CE2 4.06Å; L262-F300 HydrophobicContact CD2-CD2 4.13Å; L262-L303 HydrophobicContact CB-CD1 4.24Å; L262-L303 HydrophobicContact CD2-CB 4.45Å; L262-L303 HydrophobicContact CD2-CD1 3.9Å; L262-L303 HydrophobicContact CG-CD1 3.95Å
263	V	98.1	Very high	97.8	Very high	5 Å²	5	2.3 Å²	2.3	3%	0.03	2%	0.015	C	C	.	.	H	α-helix	trans	-63.3	-47.7	173.1	175.9	0	0	0	0	111	F153 I160 L164 G259 P260 E261 D265 L266 C267 L303 W330	F153-V263 HydrophobicContact CE2-CG2 3.78Å; I160-V263 HydrophobicContact CD1-CG2 4.45Å; I160-V263 HydrophobicContact CG1-CG2 4.42Å; I160-V263 HydrophobicContact CG2-CG1 4.08Å; I160-V263 HydrophobicContact CG2-CG2 4.24Å; L164-V263 HydrophobicContact CD2-CG1 4.01Å; L164-V263 HydrophobicContact CG-CG1 4.33Å; G259-V263 PolarHBondContact O-N 3.46Å; P260-V263 PolarHBondContact O-N 3.31Å; E261-V263 VanDerWaalsContact C-N 3.27Å; E261-V263 PolarHBondContact O-N 2.79Å; V263-D265 VanDerWaalsContact C-N 3.31Å; V263-D265 PolarHBondContact O-N 2.95Å; V263-L266 PolarHBondContact O-N 3.01Å; V263-C267 PolarHBondContact O-N 3.25Å; V263-C267 PolarHBondContact O-SG 2.87Å; V263-L303 HydrophobicContact CG2-CD1 3.72Å; V263-W330 HydrophobicContact CG1-CH2 4.18Å
264	A	98.3	Very high	97.7	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-63.8	-37.3	-179.6	0	0	0	0	0	112.1	F159 A185 A189 P260 E261 C267 L268	F159-A264 HydrophobicContact CE1-CB 4.46Å; A185-A264 WeakPolarHBondContact O-CB 3.39Å; A189-A264 HydrophobicContact CB-CB 3.55Å; P260-A264 PolarHBondContact O-N 3.1Å; E261-A264 PolarHBondContact O-N 3.13Å; E261-A264 VanDerWaalsContact O-N 3.08Å; A264-C267 WeakPolarHBondContact O-CB 3.45Å; A264-C267 PolarHBondContact O-N 3.13Å; A264-L268 PolarHBondContact O-N 2.72Å
265	D	98.8	Very high	97.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.9	-40.9	174.8	-70	-17.8	0	0	0	112.3	S186 L255 E261 V263 C267 L268 A269 K377	S186-D265 WeakPolarHBondContact CB-OD1 3.45Å; S186-D265 PolarHBondContact OG-OD1 3.45Å; L255-D265 HydrophobicContact CD2-CB 4.08Å; L255-D265 VanDerWaalsContact CD2-OD2 3.31Å; L255-D265 WeakPolarHBondContact CD2-OD2 3.3Å; E261-D265 PolarHBondContact O-N 3.38Å; V263-D265 VanDerWaalsContact C-N 3.31Å; V263-D265 PolarHBondContact O-N 2.95Å; D265-C267 VanDerWaalsContact C-N 3.3Å; D265-C267 PolarHBondContact O-N 3.03Å; D265-L268 PolarHBondContact O-N 2.66Å; D265-A269 WeakPolarHBondContact O-CB 3.35Å; D265-A269 PolarHBondContact O-N 3.27Å; D265-K377 WeakPolarHBondContact OD1-CE 3.31Å; D265-K377 IonicContact OD1-NZ 3.15Å
266	L	98.9	Very high	97.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-35.5	172.3	-74.3	163.1	0	0	0	111.8	L262 V263 A269 E270 F283 F300 L303 W330 F339	L262-L266 HydrophobicContact CD1-CD1 4.3Å; L262-L266 HydrophobicContact CD1-CG 4.35Å; L262-L266 HydrophobicContact CG-CD1 4.13Å; L262-L266 WeakPolarHBondContact O-CB 3.11Å; L262-L266 WeakPolarHBondContact O-CD1 3.38Å; L262-L266 VanDerWaalsContact O-CG 3.27Å; L262-L266 WeakPolarHBondContact O-CG 3.34Å; L262-L266 PolarHBondContact O-N 3.23Å; V263-L266 PolarHBondContact O-N 3.01Å; L266-A269 PolarHBondContact O-N 2.74Å; L266-E270 WeakPolarHBondContact O-CB 3.42Å; L266-E270 PolarHBondContact O-N 3.26Å; L266-F283 HydrophobicContact CD2-CE1 4.12Å; L266-F283 HydrophobicContact CD2-CE2 3.96Å; L266-F283 HydrophobicContact CD2-CZ 3.59Å; L266-F283 HydrophobicContact CG-CZ 4.39Å; L266-F300 HydrophobicContact CD2-CE2 3.98Å; L266-F300 HydrophobicContact CD2-CZ 3.95Å; L266-L303 HydrophobicContact CD1-CD1 4.49Å; L266-L303 HydrophobicContact CD1-CD2 3.47Å; L266-L303 VanDerWaalsContact CD1-CD2 3.47Å; L266-W330 HydrophobicContact CB-CD2 4.08Å; L266-W330 HydrophobicContact CB-CE3 4.18Å; L266-W330 HydrophobicContact CB-CH2 3.77Å; L266-W330 HydrophobicContact CB-CZ2 3.66Å; L266-W330 HydrophobicContact CB-CZ3 4.03Å; L266-W330 HydrophobicContact CD1-CD2 4.32Å; L266-W330 HydrophobicContact CD1-CE3 3.75Å; L266-W330 HydrophobicContact CD1-CH2 4.32Å; L266-W330 HydrophobicContact CD1-CZ3 3.76Å; L266-W330 HydrophobicContact CD2-CD2 4.4Å; L266-W330 HydrophobicContact CG-CE3 4.41Å; L266-W330 HydrophobicContact CG-CZ3 4.49Å; L266-F339 HydrophobicContact CD2-CD2 3.96Å; L266-F339 HydrophobicContact CD2-CE2 3.67Å
267	C	98.7	Very high	97	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.9	-42.2	175.1	-64.3	0	0	0	0	112	V163 L167 F182 V263 A264 D265 A269 E270 Y271	V163-C267 HydrophobicContact CG1-CB 3.89Å; L167-C267 HydrophobicContact CD2-CB 4.12Å; F182-C267 HydrophobicContact CD1-CB 3.96Å; F182-C267 HydrophobicContact CE1-CB 4.11Å; V263-C267 PolarHBondContact O-N 3.25Å; V263-C267 PolarHBondContact O-SG 2.87Å; A264-C267 WeakPolarHBondContact O-CB 3.45Å; A264-C267 PolarHBondContact O-N 3.13Å; D265-C267 VanDerWaalsContact C-N 3.3Å; D265-C267 PolarHBondContact O-N 3.03Å; C267-A269 VanDerWaalsContact C-N 3.34Å; C267-E270 PolarHBondContact O-N 2.77Å; C267-Y271 WeakPolarHBondContact O-CB 3.05Å; C267-Y271 PolarHBondContact O-N 3.21Å
268	L	98.8	Very high	97	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.4	-43.2	173.4	176	61.3	0	0	0	111.5	F182 L183 A264 D265 Y271 F272 I375	F182-L268 HydrophobicContact CB-CB 4.38Å; F182-L268 HydrophobicContact CB-CD1 3.87Å; L183-L268 HydrophobicContact CD1-CD2 4.45Å; A264-L268 PolarHBondContact O-N 2.72Å; D265-L268 PolarHBondContact O-N 2.66Å; L268-Y271 HydrophobicContact CD1-CD1 4.21Å; L268-Y271 WeakPolarHBondContact O-CB 3.36Å; L268-Y271 PolarHBondContact O-N 2.86Å; L268-F272 HydrophobicContact CD1-CD2 4.26Å; L268-F272 HydrophobicContact CD1-CE2 3.74Å; L268-F272 HydrophobicContact CD1-CZ 4.03Å; L268-F272 HydrophobicContact CD2-CE2 4.21Å; L268-F272 HydrophobicContact CG-CD2 4.16Å; L268-F272 HydrophobicContact CG-CE2 3.71Å; L268-F272 HydrophobicContact CG-CZ 4.46Å; L268-F272 VanDerWaalsContact O-CD2 3.31Å; L268-F272 WeakPolarHBondContact O-CD2 3.08Å; L268-F272 PolarHBondContact O-N 3.36Å; L268-I375 HydrophobicContact CD2-CD1 4.32Å
269	A	98.9	Very high	97.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63	-42.1	175.6	0	0	0	0	0	112.4	I253 D265 L266 C267 Y271 F272 L273 V281 F283 F339	I253-A269 HydrophobicContact CD1-CB 4.34Å; D265-A269 WeakPolarHBondContact O-CB 3.35Å; D265-A269 PolarHBondContact O-N 3.27Å; L266-A269 PolarHBondContact O-N 2.74Å; C267-A269 VanDerWaalsContact C-N 3.34Å; A269-Y271 VanDerWaalsContact C-N 3.32Å; A269-Y271 PolarHBondContact O-N 2.93Å; A269-F272 PolarHBondContact O-N 2.7Å; A269-L273 PolarHBondContact O-N 3.43Å; A269-L273 VanDerWaalsContact O-N 3.12Å; A269-V281 HydrophobicContact CB-CB 4.02Å; A269-V281 HydrophobicContact CB-CG1 3.78Å; A269-V281 HydrophobicContact CB-CG2 3.94Å; A269-F283 HydrophobicContact CB-CE1 3.98Å; A269-F283 HydrophobicContact CB-CE2 4.39Å; A269-F283 HydrophobicContact CB-CZ 3.41Å; A269-F283 VanDerWaalsContact CB-CZ 3.41Å; A269-F339 HydrophobicContact CB-CD1 4.42Å; A269-F339 HydrophobicContact CB-CE1 3.5Å; A269-F339 HydrophobicContact CB-CE2 4.43Å; A269-F339 HydrophobicContact CB-CZ 3.52Å
270	E	98.5	Very high	97.3	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.023	10%	0.096	C	C	.	.	H	α-helix	trans	-66.3	-36.2	177.3	-174.5	61.8	-152.2	0	0	111.6	L167 L266 C267 L273 T274 W326 R333 F339	L167-E270 HydrophobicContact CD1-CB 4.2Å; L167-E270 HydrophobicContact CD1-CG 4.15Å; L167-E270 HydrophobicContact CD2-CB 4.24Å; L167-E270 HydrophobicContact CD2-CG 4.15Å; L266-E270 WeakPolarHBondContact O-CB 3.42Å; L266-E270 PolarHBondContact O-N 3.26Å; C267-E270 PolarHBondContact O-N 2.77Å; E270-L273 PolarHBondContact O-N 2.94Å; E270-T274 VanDerWaalsContact O-CB 3.24Å; E270-T274 WeakPolarHBondContact O-CB 3.49Å; E270-T274 PolarHBondContact O-N 3.42Å; E270-T274 PolarHBondContact O-OG1 3.18Å; E270-T274 PolarHBondContact OE1-OG1 3.27Å; E270-T274 VanDerWaalsContact OE1-OG1 3.05Å; E270-W326 HydrophobicContact CG-CE3 4.33Å; E270-W326 HydrophobicContact CG-CH2 4.33Å; E270-W326 HydrophobicContact CG-CZ3 3.65Å; E270-R333 IonicContact OE1-CZ 3.74Å; E270-R333 IonicContact OE1-NE 2.94Å; E270-R333 PolarHBondContact OE1-NE 3.04Å; E270-R333 IonicContact OE1-NH2 3.71Å; E270-R333 PolarHBondContact OE1-NH2 2.73Å; E270-R333 IonicContact OE2-CZ 3.96Å; E270-R333 IonicContact OE2-NE 2.74Å; E270-R333 PolarHBondContact OE2-NE 3.48Å; E270-R333 IonicContact OE2-NH2 3.49Å; E270-F339 HydrophobicContact CB-CZ 4.24Å
271	Y	98	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.7	-48.1	170.6	160.1	-97.5	0	0	0	111.5	L170 S175 A178 F179 F182 C267 L268 A269 L273 T274 S275 I277	L170-Y271 HydrophobicContact CD1-CD2 3.68Å; L170-Y271 HydrophobicContact CD1-CE2 4.31Å; L170-Y271 HydrophobicContact CD2-CD2 4.39Å; S175-Y271 PolarHBondContact O-OH 2.98Å; A178-Y271 HydrophobicContact CB-CD2 4.01Å; A178-Y271 HydrophobicContact CB-CE2 3.57Å; F179-Y271 HydrophobicContact CB-CE1 4.31Å; F179-Y271 VanDerWaalsContact CB-OH 3.31Å; F179-Y271 WeakPolarHBondContact CB-OH 3.4Å; F179-Y271 AromaticContact CD2-CE1 3.84Å; F179-Y271 HydrophobicContact CD2-CE1 3.84Å; F182-Y271 HydrophobicContact CB-CG 4.38Å; F182-Y271 AromaticContact CD2-CD2 3.77Å; F182-Y271 HydrophobicContact CD2-CD2 3.77Å; F182-Y271 AromaticContact CD2-CG 3.75Å; F182-Y271 HydrophobicContact CD2-CG 3.75Å; F182-Y271 HydrophobicContact CE2-CD2 4.27Å; F182-Y271 HydrophobicContact CG-CG 4.29Å; C267-Y271 WeakPolarHBondContact O-CB 3.05Å; C267-Y271 PolarHBondContact O-N 3.21Å; L268-Y271 HydrophobicContact CD1-CD1 4.21Å; L268-Y271 WeakPolarHBondContact O-CB 3.36Å; L268-Y271 PolarHBondContact O-N 2.86Å; A269-Y271 VanDerWaalsContact C-N 3.32Å; A269-Y271 PolarHBondContact O-N 2.93Å; Y271-L273 VanDerWaalsContact C-N 3.33Å; Y271-L273 PolarHBondContact O-N 3.4Å; Y271-T274 PolarHBondContact O-N 3.47Å; Y271-S275 WeakPolarHBondContact CD2-OG 2.99Å; Y271-S275 WeakPolarHBondContact CE2-OG 3.22Å; Y271-S275 WeakPolarHBondContact O-CB 3.28Å; Y271-S275 PolarHBondContact O-N 3.25Å; Y271-S275 PolarHBondContact O-OG 2.82Å; Y271-I277 HydrophobicContact CE1-CD1 3.9Å; Y271-I277 WeakPolarHBondContact OH-CD1 3.49Å
272	F	98.1	Very high	97.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-41.6	179.4	-77.8	-52.2	0	0	0	112.6	F179 V251 L268 A269 I277 A278 L373 I375	F179-F272 HydrophobicContact CE2-CE1 4.2Å; V251-F272 HydrophobicContact CG1-CE2 4.42Å; L268-F272 HydrophobicContact CD1-CD2 4.26Å; L268-F272 HydrophobicContact CD1-CE2 3.74Å; L268-F272 HydrophobicContact CD1-CZ 4.03Å; L268-F272 HydrophobicContact CD2-CE2 4.21Å; L268-F272 HydrophobicContact CG-CD2 4.16Å; L268-F272 HydrophobicContact CG-CE2 3.71Å; L268-F272 HydrophobicContact CG-CZ 4.46Å; L268-F272 VanDerWaalsContact O-CD2 3.31Å; L268-F272 WeakPolarHBondContact O-CD2 3.08Å; L268-F272 PolarHBondContact O-N 3.36Å; A269-F272 PolarHBondContact O-N 2.7Å; F272-I277 HydrophobicContact CD1-CB 4.15Å; F272-I277 HydrophobicContact CD1-CD1 4.32Å; F272-I277 HydrophobicContact CD1-CG2 3.79Å; F272-I277 HydrophobicContact CE1-CG2 4.31Å; F272-I277 PolarHBondContact O-N 2.87Å; F272-A278 HydrophobicContact CB-CB 3.81Å; F272-A278 PolarHBondContact O-N 3.4Å; F272-A278 VanDerWaalsContact O-N 3.07Å; F272-L373 HydrophobicContact CZ-CD2 4.22Å; F272-I375 HydrophobicContact CE2-CD1 4.11Å; F272-I375 HydrophobicContact CZ-CD1 4.41Å
273	L	97.8	Very high	97.7	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-73.1	-46.4	179	-65.5	-174.7	0	0	0	112.4	A269 E270 Y271 S275 Q276 A278 V281 F339	A269-L273 PolarHBondContact O-N 3.43Å; A269-L273 VanDerWaalsContact O-N 3.12Å; E270-L273 PolarHBondContact O-N 2.94Å; Y271-L273 VanDerWaalsContact C-N 3.33Å; Y271-L273 PolarHBondContact O-N 3.4Å; L273-S275 VanDerWaalsContact C-N 3.33Å; L273-S275 PolarHBondContact O-N 2.96Å; L273-Q276 PolarHBondContact O-N 2.79Å; L273-Q276 PolarHBondContact O-NE2 2.94Å; L273-A278 HydrophobicContact CD2-CB 4.13Å; L273-V281 HydrophobicContact CD2-CG2 4.28Å; L273-V281 HydrophobicContact CG-CG2 4.3Å; L273-F339 HydrophobicContact CD1-CD1 3.57Å; L273-F339 HydrophobicContact CD1-CE1 3.34Å; L273-F339 HydrophobicContact CD1-CZ 4.39Å; L273-F339 HydrophobicContact CG-CE1 4.11Å
274	T	95.9	Very high	97.7	Very high	62 Å²	62	18 Å²	18	38%	0.38	9%	0.094	S	C	.	.	H	α-helix	trans	-65.9	-39.1	-177.5	-61.1	0	0	0	0	111.3	L170 E270 Y271 Q276	L170-T274 HydrophobicContact CD2-CG2 3.75Å; E270-T274 VanDerWaalsContact O-CB 3.24Å; E270-T274 WeakPolarHBondContact O-CB 3.49Å; E270-T274 PolarHBondContact O-N 3.42Å; E270-T274 PolarHBondContact O-OG1 3.18Å; E270-T274 PolarHBondContact OE1-OG1 3.27Å; E270-T274 VanDerWaalsContact OE1-OG1 3.05Å; Y271-T274 PolarHBondContact O-N 3.47Å; T274-Q276 PolarHBondContact O-N 3.35Å
275	S	94	Very high	97.7	Very high	43 Å²	43	18 Å²	18	30%	0.301	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	3.9	175.3	-50.6	0	0	0	0	113.5	Y271 L273 I277	Y271-S275 WeakPolarHBondContact CD2-OG 2.99Å; Y271-S275 WeakPolarHBondContact CE2-OG 3.22Å; Y271-S275 WeakPolarHBondContact O-CB 3.28Å; Y271-S275 PolarHBondContact O-N 3.25Å; Y271-S275 PolarHBondContact O-OG 2.82Å; L273-S275 VanDerWaalsContact C-N 3.33Å; L273-S275 PolarHBondContact O-N 2.96Å; S275-I277 PolarHBondContact O-N 3.21Å; S275-I277 VanDerWaalsContact O-N 3.16Å
276	Q	93.2	Very high	97.7	Very high	113 Å²	113	18 Å²	18	53%	0.528	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	23.9	-180	-55	-61.6	-49.4	0	0	114	K248 L273 T274	K248-Q276 VanDerWaalsContact CD-O 3.28Å; K248-Q276 WeakPolarHBondContact CD-O 3.41Å; K248-Q276 VanDerWaalsContact CE-O 3.24Å; K248-Q276 WeakPolarHBondContact CE-O 3.26Å; L273-Q276 PolarHBondContact O-N 2.79Å; L273-Q276 PolarHBondContact O-NE2 2.94Å; T274-Q276 PolarHBondContact O-N 3.35Å
277	I	95	Very high	97.6	Very high	26 Å²	26	19.5 Å²	19.5	13%	0.133	11%	0.105	C	C	.	.			trans	-80.4	-40.8	178.7	-65.6	169.6	0	0	0	110.2	C233 L249 Y271 F272 S275	C233-I277 HydrophobicContact CB-CG2 4.25Å; L249-I277 HydrophobicContact CD1-CG2 3.84Å; L249-I277 PolarHBondContact N-O 2.88Å; Y271-I277 HydrophobicContact CE1-CD1 3.9Å; Y271-I277 WeakPolarHBondContact OH-CD1 3.49Å; F272-I277 HydrophobicContact CD1-CB 4.15Å; F272-I277 HydrophobicContact CD1-CD1 4.32Å; F272-I277 HydrophobicContact CD1-CG2 3.79Å; F272-I277 HydrophobicContact CE1-CG2 4.31Å; F272-I277 PolarHBondContact O-N 2.87Å; S275-I277 PolarHBondContact O-N 3.21Å; S275-I277 VanDerWaalsContact O-N 3.16Å
278	A	97.8	Very high	97.6	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.033	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	149.3	-178.7	0	0	0	0	0	112.7	L249 V251 F272 L273 V281	L249-A278 HydrophobicContact CB-CB 4.4Å; L249-A278 CarbonylContact O-C 3.52Å; L249-A278 WeakPolarHBondContact O-CA 3.23Å; L249-A278 VanDerWaalsContact O-CB 3.29Å; L249-A278 WeakPolarHBondContact O-CB 3.4Å; V251-A278 HydrophobicContact CG2-CB 3.84Å; F272-A278 HydrophobicContact CB-CB 3.81Å; F272-A278 PolarHBondContact O-N 3.4Å; F272-A278 VanDerWaalsContact O-N 3.07Å; L273-A278 HydrophobicContact CD2-CB 4.13Å; A278-V281 HydrophobicContact CB-CG2 4.48Å
279	E	97.3	Very high	97.5	Very high	102 Å²	102	20.8 Å²	20.8	48%	0.477	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-45.7	169.9	-171.3	-176.1	161.2	0	0	110.7	K248 L249	K248-E279 HydrophobicContact CB-CB 4.04Å; L249-E279 PolarHBondContact O-N 2.89Å
280	Y	98.7	Very high	97.5	Very high	13 Å²	13	20.8 Å²	20.8	5%	0.051	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	160.7	175.9	66	-97.2	0	0	0	111.1	R250 V251 S338 R340 D370	R250-Y280 HydrophobicContact CB-CE1 3.88Å; R250-Y280 HydrophobicContact CB-CE2 4.11Å; R250-Y280 HydrophobicContact CG-CD1 4.15Å; R250-Y280 HydrophobicContact CG-CE1 3.46Å; R250-Y280 VanDerWaalsContact CG-CE1 3.46Å; V251-Y280 PolarHBondContact N-O 2.71Å; Y280-S338 CarbonylContact C-O 3.29Å; Y280-S338 WeakPolarHBondContact CA-O 3.34Å; Y280-S338 WeakPolarHBondContact CB-O 3.27Å; Y280-R340 VanDerWaalsContact CE2-NH1 3.28Å; Y280-R340 VanDerWaalsContact CG-CZ 3.44Å; Y280-D370 PolarHBondContact OH-O 2.81Å
281	V	98.9	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.3	174.3	-172.6	0	0	0	0	109.7	V251 I253 A269 L273 A278 F283 S338 F339 R340	V251-V281 HydrophobicContact CB-CG1 4.29Å; V251-V281 HydrophobicContact CB-CG2 4.21Å; V251-V281 HydrophobicContact CG1-CG1 4.33Å; V251-V281 CarbonylContact O-C 3.57Å; V251-V281 WeakPolarHBondContact O-CA 3.45Å; I253-V281 HydrophobicContact CD1-CG1 3.86Å; I253-V281 HydrophobicContact CG1-CG1 4.02Å; A269-V281 HydrophobicContact CB-CB 4.02Å; A269-V281 HydrophobicContact CB-CG1 3.78Å; A269-V281 HydrophobicContact CB-CG2 3.94Å; L273-V281 HydrophobicContact CD2-CG2 4.28Å; L273-V281 HydrophobicContact CG-CG2 4.3Å; A278-V281 HydrophobicContact CB-CG2 4.48Å; V281-F283 HydrophobicContact CG1-CE1 4.38Å; V281-F283 HydrophobicContact CG1-CE2 4.34Å; V281-F283 HydrophobicContact CG1-CZ 4.12Å; V281-S338 PolarHBondContact N-O 2.92Å; V281-F339 HydrophobicContact CB-CD1 4.18Å; V281-F339 HydrophobicContact CB-CE1 4.34Å; V281-F339 HydrophobicContact CG2-CE1 4.41Å; V281-F339 CarbonylContact O-C 3.48Å; V281-F339 WeakPolarHBondContact O-CA 3.49Å; V281-R340 PolarHBondContact O-N 3.42Å
282	S	98.8	Very high	97.3	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.007	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.8	174.2	-59.8	0	0	0	0	110.4	V251 A252 I253 R340	V251-S282 PolarHBondContact O-N 2.95Å; A252-S282 CarbonylContact C-O 3.6Å; A252-S282 VanDerWaalsContact CA-O 3.27Å; A252-S282 WeakPolarHBondContact CA-O 3.46Å; I253-S282 PolarHBondContact N-O 3.35Å; S282-R340 CarbonylContact C-O 3.5Å; S282-R340 WeakPolarHBondContact CA-O 3.48Å
283	F	98.9	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.3	172.4	-59.4	-82.3	0	0	0	109.5	I253 L255 L266 A269 V281 F300 F339 R340 F341 K342	I253-F283 HydrophobicContact CB-CD1 4.27Å; I253-F283 HydrophobicContact CD1-CE1 4.04Å; I253-F283 WeakPolarHBondContact O-CA 3.19Å; L255-F283 HydrophobicContact CD1-CB 3.88Å; L255-F283 HydrophobicContact CD1-CD1 4.36Å; L255-F283 HydrophobicContact CD2-CD1 4.11Å; L255-F283 HydrophobicContact CG-CB 4.43Å; L255-F283 HydrophobicContact CG-CD1 4.46Å; L266-F283 HydrophobicContact CD2-CE1 4.12Å; L266-F283 HydrophobicContact CD2-CE2 3.96Å; L266-F283 HydrophobicContact CD2-CZ 3.59Å; L266-F283 HydrophobicContact CG-CZ 4.39Å; A269-F283 HydrophobicContact CB-CE1 3.98Å; A269-F283 HydrophobicContact CB-CE2 4.39Å; A269-F283 HydrophobicContact CB-CZ 3.41Å; A269-F283 VanDerWaalsContact CB-CZ 3.41Å; V281-F283 HydrophobicContact CG1-CE1 4.38Å; V281-F283 HydrophobicContact CG1-CE2 4.34Å; V281-F283 HydrophobicContact CG1-CZ 4.12Å; F283-F300 HydrophobicContact CB-CE2 4.11Å; F283-F300 HydrophobicContact CD1-CE2 4.34Å; F283-F300 AromaticContact CD2-CE2 3.9Å; F283-F300 HydrophobicContact CD2-CE2 3.9Å; F283-F300 AromaticContact CD2-CZ 3.83Å; F283-F300 HydrophobicContact CD2-CZ 3.83Å; F283-F300 HydrophobicContact CE2-CE2 4.41Å; F283-F300 HydrophobicContact CE2-CZ 4.21Å; F283-F300 AromaticContact CG-CE2 3.85Å; F283-F300 HydrophobicContact CG-CE2 3.85Å; F283-F300 HydrophobicContact CG-CZ 4.26Å; F283-F339 HydrophobicContact CE2-CB 3.94Å; F283-F339 AromaticContact CE2-CD1 3.96Å; F283-F339 HydrophobicContact CE2-CD1 3.96Å; F283-F339 AromaticContact CE2-CD2 3.74Å; F283-F339 HydrophobicContact CE2-CD2 3.74Å; F283-F339 HydrophobicContact CE2-CE1 4.39Å; F283-F339 HydrophobicContact CE2-CE2 4.18Å; F283-F339 AromaticContact CE2-CG 3.63Å; F283-F339 HydrophobicContact CE2-CG 3.63Å; F283-F339 HydrophobicContact CZ-CD1 4.41Å; F283-F339 HydrophobicContact CZ-CD2 4.2Å; F283-F339 HydrophobicContact CZ-CE1 4.4Å; F283-F339 HydrophobicContact CZ-CE2 4.17Å; F283-F339 HydrophobicContact CZ-CG 4.34Å; F283-F339 HydrophobicContact CZ-CZ 4.29Å; F283-R340 WeakPolarHBondContact CD2-O 3.29Å; F283-R340 PolarHBondContact N-O 3.08Å; F283-F341 HydrophobicContact CB-CD2 4.02Å; F283-F341 CarbonylContact O-C 3.55Å; F283-F341 WeakPolarHBondContact O-CA 3.11Å; F283-K342 PolarHBondContact O-N 3.25Å
284	H	98.9	Very high	97.3	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.009	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	103.6	176.9	-69.3	-116.7	0	0	0	109.1	I253 I254 L255 K342 W347	I253-H284 PolarHBondContact O-N 2.83Å; I254-H284 HydrophobicContact CD1-CB 3.52Å; I254-H284 HydrophobicContact CG2-CB 4.48Å; L255-H284 PolarHBondContact N-O 3.02Å; H284-K342 WeakPolarHBondContact CA-O 3.44Å; H284-W347 HydrophobicContact CB-CZ2 4.1Å; H284-W347 AromaticContact ND1-CE2 3.99Å; H284-W347 AromaticContact ND1-CZ2 3.61Å; H284-W347 AromaticContact ND1-NE1 3.76Å
285	G	98.7	Very high	97.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	174.4	175.5	0	0	0	0	0	112.9	V295 K342	G285-V295 CarbonylContact C-O 3.51Å; G285-V295 WeakPolarHBondContact CA-O 3.18Å; G285-K342 PolarHBondContact N-O 2.86Å
286	K	98.6	Very high	97.6	Very high	1 Å²	1	17 Å²	17	0%	0.004	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	146.1	178.3	-51.3	-53.2	-166	-109.3	0	110.7	L255 W290 D294 V295 T296 W347 T348	L255-K286 PolarHBondContact O-NZ 2.8Å; K286-W290 HydrophobicContact CB-CB 3.86Å; K286-W290 HydrophobicContact CD-CG 4.5Å; K286-W290 HydrophobicContact CG-CB 3.87Å; K286-W290 HydrophobicContact CG-CG 4.24Å; K286-D294 WeakPolarHBondContact CE-OD2 3.5Å; K286-D294 HydrophobicContact CG-CB 3.67Å; K286-D294 IonicContact NZ-OD2 3.9Å; K286-V295 PolarHBondContact N-O 2.93Å; K286-T296 WeakPolarHBondContact O-CA 3.33Å; K286-W347 HydrophobicContact CD-CB 3.7Å; K286-T348 HydrophobicContact CB-CG2 3.75Å; K286-T348 HydrophobicContact CD-CG2 4.25Å; K286-T348 HydrophobicContact CG-CG2 4.4Å
287	S	96.9	Very high	97.8	Very high	31 Å²	31	13 Å²	13	22%	0.217	8%	0.076	C	C	.	.	S	Bend	trans	-81.2	-21.1	-175.4	-59.5	0	0	0	0	113.5	T343 S344 Y345	S287-T343 WeakPolarHBondContact OG-CB 3.33Å; S287-S344 PolarHBondContact OG-N 2.86Å; S287-S344 PolarHBondContact OG-O 3.32Å; S287-Y345 PolarHBondContact OG-N 3.44Å
288	I	97.2	Very high	97.9	Very high	7 Å²	7	16.1 Å²	16.1	4%	0.036	9%	0.088	C	C	.	.	S	Bend	trans	-135.2	162.4	177.8	51.8	174.9	0	0	0	108.5	P79 L80 I131 W290 T296 T348	P79-I288 HydrophobicContact CB-CG2 4.4Å; P79-I288 HydrophobicContact CG-CG2 3.34Å; L80-I288 HydrophobicContact CD1-CG2 3.95Å; L80-I288 HydrophobicContact CD2-CG2 3.89Å; L80-I288 HydrophobicContact CG-CG2 3.79Å; I131-I288 HydrophobicContact CB-CD1 4.3Å; I131-I288 HydrophobicContact CG1-CD1 4.13Å; I131-I288 HydrophobicContact CG2-CB 4.43Å; I131-I288 HydrophobicContact CG2-CD1 4.13Å; I131-I288 HydrophobicContact CG2-CG2 4.5Å; I288-W290 HydrophobicContact CD1-CE3 4Å; I288-W290 HydrophobicContact CD1-CZ3 4.19Å; I288-W290 HydrophobicContact CG1-CE3 4.19Å; I288-W290 PolarHBondContact O-N 2.62Å; I288-W290 VanDerWaalsContact O-N 3.12Å; I288-T296 WeakPolarHBondContact O-CG2 3.42Å; I288-T348 HydrophobicContact CG1-CG2 3.77Å
289	P	97.7	Very high	97.9	Very high	19 Å²	19	16.1 Å²	16.1	12%	0.123	9%	0.088	C	C	.	.			trans	-52.5	124.3	166.6	-20.4	31.4	0	0	0	108.8	I131 D143	I131-P289 HydrophobicContact CD1-CB 3.87Å; I131-P289 HydrophobicContact CD1-CG 4.16Å; I131-P289 WeakPolarHBondContact CD1-O 3.29Å; I131-P289 WeakPolarHBondContact CG1-O 3.49Å; D143-P289 HydrophobicContact CB-CB 4.14Å; D143-P289 HydrophobicContact CB-CG 3.65Å
290	W	98.1	Very high	97.9	Very high	1 Å²	1	11.7 Å²	11.7	0%	0.004	7%	0.067	C	C	.	.			trans	-137.2	133.8	-168.4	-165.9	-112.7	0	0	0	107.7	W88 C124 R128 K286 I288 D294 T348	W88-W290 HydrophobicContact CH2-CH2 4.29Å; W88-W290 AromaticContact CZ2-CH2 3.73Å; W88-W290 HydrophobicContact CZ2-CH2 3.73Å; C124-W290 HydrophobicContact CB-CH2 4.05Å; C124-W290 HydrophobicContact CB-CZ2 3.73Å; C124-W290 WeakPolarHBondContact O-CH2 3.23Å; R128-W290 HydrophobicContact CB-CH2 4Å; R128-W290 HydrophobicContact CB-CZ3 3.74Å; K286-W290 HydrophobicContact CB-CB 3.86Å; K286-W290 HydrophobicContact CD-CG 4.5Å; K286-W290 HydrophobicContact CG-CB 3.87Å; K286-W290 HydrophobicContact CG-CG 4.24Å; I288-W290 HydrophobicContact CD1-CE3 4Å; I288-W290 HydrophobicContact CD1-CZ3 4.19Å; I288-W290 HydrophobicContact CG1-CE3 4.19Å; I288-W290 PolarHBondContact O-N 2.62Å; I288-W290 VanDerWaalsContact O-N 3.12Å; W290-D294 HydrophobicContact CB-CB 4.2Å; W290-D294 VanDerWaalsContact O-CB 3.23Å; W290-D294 WeakPolarHBondContact O-CB 3.35Å; W290-D294 PolarHBondContact O-N 3.33Å; W290-T348 HydrophobicContact CB-CG2 4.05Å; W290-T348 HydrophobicContact CD2-CG2 3.74Å; W290-T348 HydrophobicContact CE3-CG2 3.93Å; W290-T348 HydrophobicContact CG-CG2 3.78Å; W290-T348 VanDerWaalsContact CH2-O 3.31Å; W290-T348 WeakPolarHBondContact CH2-O 3.13Å
291	F	97.4	Very high	97.9	Very high	20 Å²	20	15.6 Å²	15.6	9%	0.088	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-155.9	-170.1	-77.9	-114.6	0	0	0	110.5	E123 Y127 F145 D294 L380	E123-F291 HydrophobicContact CG-CE1 3.64Å; E123-F291 HydrophobicContact CG-CZ 3.71Å; Y127-F291 HydrophobicContact CD2-CB 4.32Å; Y127-F291 AromaticContact CD2-CD1 3.81Å; Y127-F291 HydrophobicContact CD2-CD1 3.81Å; Y127-F291 AromaticContact CD2-CD2 3.69Å; Y127-F291 HydrophobicContact CD2-CD2 3.69Å; Y127-F291 AromaticContact CD2-CE1 3.98Å; Y127-F291 HydrophobicContact CD2-CE1 3.98Å; Y127-F291 AromaticContact CD2-CE2 3.85Å; Y127-F291 HydrophobicContact CD2-CE2 3.85Å; Y127-F291 AromaticContact CD2-CG 3.67Å; Y127-F291 HydrophobicContact CD2-CG 3.67Å; Y127-F291 AromaticContact CD2-CZ 3.99Å; Y127-F291 HydrophobicContact CD2-CZ 3.99Å; Y127-F291 VanDerWaalsContact CE1-C 3.46Å; Y127-F291 VanDerWaalsContact CE1-CA 3.44Å; Y127-F291 HydrophobicContact CE1-CB 4.44Å; Y127-F291 HydrophobicContact CE2-CB 4.24Å; Y127-F291 AromaticContact CE2-CD1 3.42Å; Y127-F291 HydrophobicContact CE2-CD1 3.42Å; Y127-F291 VanDerWaalsContact CE2-CD1 3.42Å; Y127-F291 HydrophobicContact CE2-CD2 4.18Å; Y127-F291 AromaticContact CE2-CE1 3.71Å; Y127-F291 HydrophobicContact CE2-CE1 3.71Å; Y127-F291 HydrophobicContact CE2-CE2 4.41Å; Y127-F291 AromaticContact CE2-CG 3.69Å; Y127-F291 HydrophobicContact CE2-CG 3.69Å; Y127-F291 HydrophobicContact CE2-CZ 4.2Å; Y127-F291 HydrophobicContact CG-CB 4.47Å; Y127-F291 HydrophobicContact CG-CD2 4.14Å; Y127-F291 HydrophobicContact CG-CG 4.21Å; F145-F291 WeakPolarHBondContact CD2-O 3.47Å; F145-F291 WeakPolarHBondContact CE2-O 3.18Å; F291-D294 VanDerWaalsContact CB-OD1 3.29Å; F291-D294 WeakPolarHBondContact CB-OD1 3.42Å; F291-L380 HydrophobicContact CD2-CD2 3.84Å; F291-L380 HydrophobicContact CE1-CD1 4.32Å; F291-L380 HydrophobicContact CE1-CD2 4.41Å; F291-L380 HydrophobicContact CE2-CD1 4.14Å; F291-L380 HydrophobicContact CE2-CD2 3.54Å; F291-L380 HydrophobicContact CE2-CG 4.49Å; F291-L380 HydrophobicContact CG-CD2 4.41Å; F291-L380 HydrophobicContact CZ-CD1 3.7Å; F291-L380 HydrophobicContact CZ-CD2 3.85Å; F291-L380 HydrophobicContact CZ-CG 4.37Å
292	V	96.1	Very high	97.7	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-42.4	-179.4	-178.6	0	0	0	0	111	I25 Y127 F145 K148 K149 L194	I25-V292 HydrophobicContact CD1-CG2 4.19Å; I25-V292 HydrophobicContact CG2-CG2 4.32Å; Y127-V292 HydrophobicContact CE1-CG2 4.19Å; F145-V292 WeakPolarHBondContact CB-O 3.47Å; F145-V292 HydrophobicContact CD1-CG1 4.03Å; F145-V292 HydrophobicContact CE1-CG2 4.42Å; K148-V292 HydrophobicContact CD-CG1 3.8Å; K149-V292 WeakPolarHBondContact CE-O 3.47Å; L194-V292 HydrophobicContact CB-CG1 3.89Å
293	S	96.3	Very high	97.5	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.021	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	4.2	-165	39.3	0	0	0	0	115	N257 S258	N257-S293 WeakPolarHBondContact OD1-CB 3.38Å; N257-S293 PolarHBondContact OD1-OG 2.74Å; S258-S293 WeakPolarHBondContact CB-O 3.2Å; S258-S293 PolarHBondContact N-O 3.17Å; S258-S293 PolarHBondContact OG-O 2.77Å
294	D	98.5	Very high	97.4	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-60.9	143	-174.6	-63.8	27.2	0	0	0	112.1	K149 D256 K286 W290 F291 T296	K149-D294 PolarHBondContact NZ-O 2.82Å; D256-D294 CarbonylContact O-C 3.55Å; D256-D294 WeakPolarHBondContact O-CA 3.37Å; K286-D294 WeakPolarHBondContact CE-OD2 3.5Å; K286-D294 HydrophobicContact CG-CB 3.67Å; K286-D294 IonicContact NZ-OD2 3.9Å; W290-D294 HydrophobicContact CB-CB 4.2Å; W290-D294 VanDerWaalsContact O-CB 3.23Å; W290-D294 WeakPolarHBondContact O-CB 3.35Å; W290-D294 PolarHBondContact O-N 3.33Å; F291-D294 VanDerWaalsContact CB-OD1 3.29Å; F291-D294 WeakPolarHBondContact CB-OD1 3.42Å; D294-T296 PolarHBondContact O-N 3.1Å
295	V	98.7	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-68.5	119.8	-175.1	-175.4	0	0	0	0	110.9	L255 D256 N257 L262 G285 K286 D299 F300 F341	L255-V295 HydrophobicContact CB-CB 4.07Å; L255-V295 HydrophobicContact CB-CG2 4.07Å; L255-V295 HydrophobicContact CD1-CB 3.9Å; L255-V295 HydrophobicContact CD1-CG1 3.75Å; L255-V295 HydrophobicContact CD1-CG2 4.12Å; D256-V295 PolarHBondContact O-N 3.11Å; N257-V295 VanDerWaalsContact O-CG2 3.25Å; N257-V295 WeakPolarHBondContact O-CG2 3.26Å; L262-V295 HydrophobicContact CB-CG2 4.22Å; L262-V295 HydrophobicContact CD1-CG1 4.41Å; L262-V295 HydrophobicContact CD1-CG2 4.27Å; L262-V295 HydrophobicContact CD2-CG1 3.91Å; L262-V295 HydrophobicContact CD2-CG2 4.15Å; L262-V295 HydrophobicContact CG-CG2 4.45Å; G285-V295 CarbonylContact C-O 3.51Å; G285-V295 WeakPolarHBondContact CA-O 3.18Å; K286-V295 PolarHBondContact N-O 2.93Å; V295-D299 HydrophobicContact CG1-CB 4.32Å; V295-F300 HydrophobicContact CG1-CB 4.23Å; V295-F341 HydrophobicContact CG1-CE2 4.2Å
296	T	98.5	Very high	96.7	Very high	8 Å²	8	23.1 Å²	23.1	5%	0.049	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-100.7	171.7	163.3	70.8	0	0	0	0	111.3	K286 I288 D294 K298 D299 F300	K286-T296 WeakPolarHBondContact O-CA 3.33Å; I288-T296 WeakPolarHBondContact O-CG2 3.42Å; D294-T296 PolarHBondContact O-N 3.1Å; T296-K298 PolarHBondContact O-N 3.32Å; T296-K298 PolarHBondContact OG1-N 3.07Å; T296-D299 WeakPolarHBondContact CB-OD2 3.31Å; T296-D299 PolarHBondContact N-OD2 3.37Å; T296-D299 PolarHBondContact O-N 3.02Å; T296-D299 PolarHBondContact OG1-N 3.13Å; T296-D299 PolarHBondContact OG1-OD2 2.84Å; T296-F300 PolarHBondContact O-N 3.44Å
297	G	97.8	Very high	95.9	Very high	30 Å²	30	27 Å²	27	31%	0.309	15%	0.146	S	C	.	.	H	α-helix	trans	-59	-29.4	171.4	0	0	0	0	0	113.4	N301 F341	G297-N301 VanDerWaalsContact O-CB 3.26Å; G297-N301 WeakPolarHBondContact O-CB 3.5Å; G297-N301 PolarHBondContact O-N 3.28Å; G297-F341 VanDerWaalsContact CA-CZ 3.47Å
298	K	96.5	Very high	94.9	Very high	90 Å²	90	27.6 Å²	27.6	39%	0.391	15%	0.147	S	C	.	.	H	α-helix	trans	-68.6	-42.8	175.7	-70.4	177.6	178.7	162.6	0	111.5	E141 T296 N301 W302	E141-K298 PolarHBondContact O-NZ 3.05Å; E141-K298 WeakPolarHBondContact OE2-CE 3.14Å; E141-K298 IonicContact OE2-NZ 3.22Å; E141-K298 PolarHBondContact OE2-NZ 3.48Å; T296-K298 PolarHBondContact O-N 3.32Å; T296-K298 PolarHBondContact OG1-N 3.07Å; K298-N301 PolarHBondContact O-N 2.72Å; K298-W302 VanDerWaalsContact O-CB 3.23Å; K298-W302 WeakPolarHBondContact O-CB 3.46Å; K298-W302 PolarHBondContact O-N 3.25Å
299	D	97.6	Very high	93.7	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-43.9	178.2	-56.4	-60.9	0	0	0	111	K149 V295 T296 W302 L303	K149-D299 WeakPolarHBondContact CD-OD1 3.46Å; K149-D299 IonicContact NZ-OD1 3.57Å; K149-D299 PolarHBondContact NZ-OD1 3.37Å; K149-D299 IonicContact NZ-OD2 3.84Å; K149-D299 PolarHBondContact NZ-OD2 3.43Å; V295-D299 HydrophobicContact CG1-CB 4.32Å; T296-D299 WeakPolarHBondContact CB-OD2 3.31Å; T296-D299 PolarHBondContact N-OD2 3.37Å; T296-D299 PolarHBondContact O-N 3.02Å; T296-D299 PolarHBondContact OG1-N 3.13Å; T296-D299 PolarHBondContact OG1-OD2 2.84Å; D299-W302 PolarHBondContact O-N 3.31Å; D299-L303 PolarHBondContact O-N 3.03Å
300	F	98.2	Very high	92.6	Very high	9 Å²	9	33.4 Å²	33.4	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-47.8	176.5	-164.8	-87.7	0	0	0	111.5	L262 L266 F283 V295 T296 L303 L304 I334 F341	L262-F300 HydrophobicContact CD1-CD2 3.84Å; L262-F300 HydrophobicContact CD1-CE2 4.06Å; L262-F300 HydrophobicContact CD2-CD2 4.13Å; L266-F300 HydrophobicContact CD2-CE2 3.98Å; L266-F300 HydrophobicContact CD2-CZ 3.95Å; F283-F300 HydrophobicContact CB-CE2 4.11Å; F283-F300 HydrophobicContact CD1-CE2 4.34Å; F283-F300 AromaticContact CD2-CE2 3.9Å; F283-F300 HydrophobicContact CD2-CE2 3.9Å; F283-F300 AromaticContact CD2-CZ 3.83Å; F283-F300 HydrophobicContact CD2-CZ 3.83Å; F283-F300 HydrophobicContact CE2-CE2 4.41Å; F283-F300 HydrophobicContact CE2-CZ 4.21Å; F283-F300 AromaticContact CG-CE2 3.85Å; F283-F300 HydrophobicContact CG-CE2 3.85Å; F283-F300 HydrophobicContact CG-CZ 4.26Å; V295-F300 HydrophobicContact CG1-CB 4.23Å; T296-F300 PolarHBondContact O-N 3.44Å; F300-L303 PolarHBondContact O-N 3.48Å; F300-L304 HydrophobicContact CD1-CD1 3.86Å; F300-L304 HydrophobicContact CD1-CG 4.48Å; F300-L304 HydrophobicContact CE1-CD1 3.56Å; F300-L304 HydrophobicContact CE1-CG 4.38Å; F300-L304 HydrophobicContact CZ-CD1 4.48Å; F300-L304 WeakPolarHBondContact O-CG 3.49Å; F300-L304 PolarHBondContact O-N 3.42Å; F300-I334 HydrophobicContact CE1-CD1 3.72Å; F300-I334 HydrophobicContact CE1-CG1 4.28Å; F300-I334 HydrophobicContact CZ-CD1 4.09Å; F300-F341 HydrophobicContact CB-CD2 3.93Å; F300-F341 HydrophobicContact CB-CE2 3.71Å; F300-F341 HydrophobicContact CB-CZ 4.28Å; F300-F341 HydrophobicContact CD1-CB 4.39Å; F300-F341 AromaticContact CD1-CD2 3.91Å; F300-F341 HydrophobicContact CD1-CD2 3.91Å; F300-F341 HydrophobicContact CD1-CG 4.3Å; F300-F341 AromaticContact CD2-CD2 3.53Å; F300-F341 HydrophobicContact CD2-CD2 3.53Å; F300-F341 AromaticContact CD2-CE2 3.75Å; F300-F341 HydrophobicContact CD2-CE2 3.75Å; F300-F341 HydrophobicContact CE1-CB 4.33Å; F300-F341 HydrophobicContact CE1-CD2 4.28Å; F300-F341 AromaticContact CE2-CD2 3.96Å; F300-F341 HydrophobicContact CE2-CD2 3.96Å; F300-F341 AromaticContact CG-CD2 3.51Å; F300-F341 HydrophobicContact CG-CD2 3.51Å; F300-F341 AromaticContact CG-CE2 3.77Å; F300-F341 HydrophobicContact CG-CE2 3.77Å; F300-F341 HydrophobicContact CG-CG 4.29Å; F300-F341 HydrophobicContact CZ-CD2 4.31Å
301	N	97.2	Very high	91.4	Very high	96 Å²	96	33.9 Å²	33.9	51%	0.513	18%	0.177	S	C	.	.	H	α-helix	trans	-66.8	-37.4	177.4	-175.8	67.5	0	0	0	112.6	G297 K298 L304 N305	G297-N301 VanDerWaalsContact O-CB 3.26Å; G297-N301 WeakPolarHBondContact O-CB 3.5Å; G297-N301 PolarHBondContact O-N 3.28Å; K298-N301 PolarHBondContact O-N 2.72Å; N301-L304 PolarHBondContact O-N 3.25Å; N301-N305 WeakPolarHBondContact O-CB 3.41Å; N301-N305 PolarHBondContact O-N 2.84Å; N301-N305 VanDerWaalsContact O-N 3.16Å; N301-N305 PolarHBondContact O-ND2 3.18Å; N301-N305 PolarHBondContact OD1-ND2 3.12Å
302	W	95.4	Very high	89.5	Confident	42 Å²	42	39.2 Å²	39.2	16%	0.159	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-48	176.1	175.8	80.3	0	0	0	110.9	F146 K150 F153 K298 D299 L304 N305 M306	F146-W302 HydrophobicContact CE2-CB 4.37Å; F146-W302 HydrophobicContact CE2-CG 4.1Å; F146-W302 AromaticContact CZ-CD1 3.74Å; F146-W302 HydrophobicContact CZ-CD2 4.47Å; F146-W302 HydrophobicContact CZ-CG 4.02Å; K150-W302 HydrophobicContact CB-CZ2 4.47Å; K150-W302 HydrophobicContact CD-CZ2 4.23Å; K150-W302 HydrophobicContact CG-CH2 4.26Å; K150-W302 HydrophobicContact CG-CZ2 3.83Å; F153-W302 HydrophobicContact CB-CH2 4.13Å; F153-W302 HydrophobicContact CB-CZ3 4.21Å; F153-W302 AromaticContact CD1-CH2 3.81Å; F153-W302 HydrophobicContact CD1-CH2 3.81Å; F153-W302 HydrophobicContact CD1-CZ3 4.23Å; F153-W302 HydrophobicContact CD2-CZ3 4.14Å; F153-W302 HydrophobicContact CE1-CH2 4.39Å; F153-W302 AromaticContact CG-CH2 3.9Å; F153-W302 HydrophobicContact CG-CH2 3.9Å; F153-W302 AromaticContact CG-CZ3 3.93Å; F153-W302 HydrophobicContact CG-CZ3 3.93Å; K298-W302 VanDerWaalsContact O-CB 3.23Å; K298-W302 WeakPolarHBondContact O-CB 3.46Å; K298-W302 PolarHBondContact O-N 3.25Å; D299-W302 PolarHBondContact O-N 3.31Å; W302-L304 VanDerWaalsContact C-N 3.27Å; W302-L304 PolarHBondContact O-N 3.25Å; W302-N305 CarbonylContact O-C 3.46Å; W302-N305 PolarHBondContact O-N 3.39Å; W302-N305 VanDerWaalsContact O-N 3.09Å; W302-M306 HydrophobicContact CH2-CG 4.26Å; W302-M306 HydrophobicContact CH2-SD 3.47Å; W302-M306 WeakPolarHBondContact CH2-SD 3.39Å; W302-M306 HydrophobicContact CZ2-CB 4.25Å; W302-M306 HydrophobicContact CZ2-CG 3.67Å; W302-M306 HydrophobicContact CZ2-SD 3.4Å; W302-M306 WeakPolarHBondContact CZ2-SD 3.43Å; W302-M306 HydrophobicContact CZ3-SD 4.35Å; W302-M306 WeakPolarHBondContact O-CA 3.49Å; W302-M306 WeakPolarHBondContact O-CB 3.42Å; W302-M306 PolarHBondContact O-N 2.83Å
303	L	95.3	Very high	87.6	Confident	12 Å²	12	42.8 Å²	42.8	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-38.4	179.2	-178.9	149.5	0	0	0	112.4	F153 L262 V263 L266 D299 F300 N305 W330	F153-L303 HydrophobicContact CE2-CD1 4.08Å; F153-L303 HydrophobicContact CE2-CG 4.49Å; L262-L303 HydrophobicContact CB-CD1 4.24Å; L262-L303 HydrophobicContact CD2-CB 4.45Å; L262-L303 HydrophobicContact CD2-CD1 3.9Å; L262-L303 HydrophobicContact CG-CD1 3.95Å; V263-L303 HydrophobicContact CG2-CD1 3.72Å; L266-L303 HydrophobicContact CD1-CD1 4.49Å; L266-L303 HydrophobicContact CD1-CD2 3.47Å; L266-L303 VanDerWaalsContact CD1-CD2 3.47Å; D299-L303 PolarHBondContact O-N 3.03Å; F300-L303 PolarHBondContact O-N 3.48Å; L303-N305 VanDerWaalsContact C-N 3.34Å; L303-N305 PolarHBondContact O-N 3.41Å; L303-W330 HydrophobicContact CD2-CE3 4.24Å; L303-W330 HydrophobicContact CD2-CZ3 4.03Å
304	L	95.7	Very high	85.6	Confident	9 Å²	9	45 Å²	45	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-73.6	-22	178.8	-67.4	-177.8	0	0	0	114.3	F300 N301 W302 W330 R331 I334	F300-L304 HydrophobicContact CD1-CD1 3.86Å; F300-L304 HydrophobicContact CD1-CG 4.48Å; F300-L304 HydrophobicContact CE1-CD1 3.56Å; F300-L304 HydrophobicContact CE1-CG 4.38Å; F300-L304 HydrophobicContact CZ-CD1 4.48Å; F300-L304 WeakPolarHBondContact O-CG 3.49Å; F300-L304 PolarHBondContact O-N 3.42Å; N301-L304 PolarHBondContact O-N 3.25Å; W302-L304 VanDerWaalsContact C-N 3.27Å; W302-L304 PolarHBondContact O-N 3.25Å; L304-W330 HydrophobicContact CD2-CB 3.6Å; L304-W330 HydrophobicContact CD2-CE3 4.12Å; L304-R331 HydrophobicContact CB-CG 4.04Å; L304-R331 HydrophobicContact CD1-CG 4.47Å; L304-R331 WeakPolarHBondContact O-CD 3.44Å; L304-I334 HydrophobicContact CD1-CG1 4.1Å
305	N	94.6	Very high	83.4	Confident	77 Å²	77	53.2 Å²	53.2	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-126.5	7	-171.5	-61.5	-72.4	0	0	0	114.1	N301 W302 L303 N307 R331	N301-N305 WeakPolarHBondContact O-CB 3.41Å; N301-N305 PolarHBondContact O-N 2.84Å; N301-N305 VanDerWaalsContact O-N 3.16Å; N301-N305 PolarHBondContact O-ND2 3.18Å; N301-N305 PolarHBondContact OD1-ND2 3.12Å; W302-N305 CarbonylContact O-C 3.46Å; W302-N305 PolarHBondContact O-N 3.39Å; W302-N305 VanDerWaalsContact O-N 3.09Å; L303-N305 VanDerWaalsContact C-N 3.34Å; L303-N305 PolarHBondContact O-N 3.41Å; N305-N307 PolarHBondContact O-N 3.04Å; N305-R331 WeakPolarHBondContact OD1-CD 3.2Å
306	M	88.4	Confident	81.9	Confident	20 Å²	20	56 Å²	56	10%	0.099	32%	0.316	C	S	.	.			trans	-53.7	134.8	179.9	178.9	-172.5	62	0	0	109.8	F153 W302 I308 E310 L311 V323	F153-M306 HydrophobicContact CD1-SD 4.28Å; F153-M306 HydrophobicContact CE1-CE 3.72Å; F153-M306 HydrophobicContact CE1-SD 3.9Å; F153-M306 HydrophobicContact CZ-CE 4.16Å; W302-M306 HydrophobicContact CH2-CG 4.26Å; W302-M306 HydrophobicContact CH2-SD 3.47Å; W302-M306 WeakPolarHBondContact CH2-SD 3.39Å; W302-M306 HydrophobicContact CZ2-CB 4.25Å; W302-M306 HydrophobicContact CZ2-CG 3.67Å; W302-M306 HydrophobicContact CZ2-SD 3.4Å; W302-M306 WeakPolarHBondContact CZ2-SD 3.43Å; W302-M306 HydrophobicContact CZ3-SD 4.35Å; W302-M306 WeakPolarHBondContact O-CA 3.49Å; W302-M306 WeakPolarHBondContact O-CB 3.42Å; W302-M306 PolarHBondContact O-N 2.83Å; M306-I308 PolarHBondContact O-N 3.25Å; M306-E310 HydrophobicContact CG-CB 4.28Å; M306-E310 HydrophobicContact SD-CB 4.47Å; M306-L311 HydrophobicContact CE-CD1 3.64Å; M306-L311 HydrophobicContact CE-CD2 3.48Å; M306-L311 VanDerWaalsContact CE-CD2 3.48Å; M306-L311 HydrophobicContact CE-CG 3.54Å; M306-L311 HydrophobicContact SD-CD2 4.1Å; M306-L311 HydrophobicContact SD-CG 4.45Å; M306-V323 HydrophobicContact CE-CG1 4.25Å
307	N	81.5	Confident	80.9	Confident	83 Å²	83	61.6 Å²	61.6	44%	0.444	35%	0.346	S	S	.	.			trans	-67.5	126.9	175.5	-176.6	-5.3	0	0	0	109	N305 L309 E310	N305-N307 PolarHBondContact O-N 3.04Å; N307-L309 PolarHBondContact O-N 3.12Å; N307-L309 WeakPolarHBondContact OD1-CG 3.18Å; N307-L309 PolarHBondContact OD1-N 2.95Å; N307-E310 HydrophobicContact CB-CG 4.11Å; N307-E310 WeakPolarHBondContact O-CB 3.41Å; N307-E310 WeakPolarHBondContact O-CG 3.5Å; N307-E310 PolarHBondContact O-N 3.47Å
308	I	75.3	Confident	80.2	Confident	44 Å²	44	65 Å²	65	23%	0.226	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-61.3	-26.3	-179.5	-117.2	168.5	0	0	0	112.5	M306 E310 L311 T320	M306-I308 PolarHBondContact O-N 3.25Å; I308-E310 PolarHBondContact O-N 3.31Å; I308-L311 HydrophobicContact CG1-CD1 4.17Å; I308-L311 VanDerWaalsContact O-CB 3.31Å; I308-L311 WeakPolarHBondContact O-CB 3.29Å; I308-L311 PolarHBondContact O-N 3.18Å; I308-T320 HydrophobicContact CB-CG2 4.34Å; I308-T320 HydrophobicContact CD1-CG2 3.65Å; I308-T320 VanDerWaalsContact CD1-O 3.23Å; I308-T320 WeakPolarHBondContact CD1-O 3.47Å; I308-T320 HydrophobicContact CG1-CG2 3.75Å; I308-T320 HydrophobicContact CG2-CG2 3.75Å
309	L	72.5	Confident	79.7	Confident	96 Å²	96	61.2 Å²	61.2	50%	0.503	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-61.6	-21.8	172.5	-54.6	-179.1	0	0	0	112	N307 L311 E312	N307-L309 PolarHBondContact O-N 3.12Å; N307-L309 WeakPolarHBondContact OD1-CG 3.18Å; N307-L309 PolarHBondContact OD1-N 2.95Å; L309-L311 PolarHBondContact O-N 3.47Å; L309-E312 HydrophobicContact CD2-CG 4.41Å; L309-E312 WeakPolarHBondContact CD2-OE1 3.48Å; L309-E312 WeakPolarHBondContact CD2-OE2 2.93Å; L309-E312 WeakPolarHBondContact O-CB 3.35Å; L309-E312 PolarHBondContact O-N 3.16Å
310	E	75.1	Confident	79.2	Confident	51 Å²	51	62.3 Å²	62.3	24%	0.238	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-71.8	-16.2	174.6	-60.4	179.9	-147.6	0	0	113.1	K150 K154 M306 N307 I308	K150-E310 WeakPolarHBondContact CE-OE2 3.36Å; K150-E310 IonicContact NZ-OE1 3.66Å; K150-E310 IonicContact NZ-OE2 3.67Å; K150-E310 PolarHBondContact NZ-OE2 3.14Å; K154-E310 VanDerWaalsContact CE-O 3.26Å; K154-E310 WeakPolarHBondContact CE-O 3.34Å; K154-E310 PolarHBondContact NZ-O 2.82Å; M306-E310 HydrophobicContact CG-CB 4.28Å; M306-E310 HydrophobicContact SD-CB 4.47Å; N307-E310 HydrophobicContact CB-CG 4.11Å; N307-E310 WeakPolarHBondContact O-CB 3.41Å; N307-E310 WeakPolarHBondContact O-CG 3.5Å; N307-E310 PolarHBondContact O-N 3.47Å; I308-E310 PolarHBondContact O-N 3.31Å
311	L	71.9	Confident	78.7	Confident	12 Å²	12	67.9 Å²	67.9	6%	0.063	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-90.3	-13.8	172.9	-58.3	175.9	0	0	0	112.5	F153 M306 I308 L309 G313 A314 Y319 V323	F153-L311 HydrophobicContact CE1-CD2 3.98Å; M306-L311 HydrophobicContact CE-CD1 3.64Å; M306-L311 HydrophobicContact CE-CD2 3.48Å; M306-L311 VanDerWaalsContact CE-CD2 3.48Å; M306-L311 HydrophobicContact CE-CG 3.54Å; M306-L311 HydrophobicContact SD-CD2 4.1Å; M306-L311 HydrophobicContact SD-CG 4.45Å; I308-L311 HydrophobicContact CG1-CD1 4.17Å; I308-L311 VanDerWaalsContact O-CB 3.31Å; I308-L311 WeakPolarHBondContact O-CB 3.29Å; I308-L311 PolarHBondContact O-N 3.18Å; L309-L311 PolarHBondContact O-N 3.47Å; L311-G313 PolarHBondContact O-N 3.1Å; L311-A314 PolarHBondContact O-N 3.08Å; L311-A314 VanDerWaalsContact O-N 3.12Å; L311-Y319 HydrophobicContact CD1-CE1 4.18Å; L311-Y319 HydrophobicContact CD2-CE1 4.08Å; L311-V323 HydrophobicContact CD1-CB 4.09Å; L311-V323 HydrophobicContact CD1-CG1 4Å; L311-V323 HydrophobicContact CD1-CG2 4.12Å
312	E	58.2	Low	78.4	Confident	132 Å²	132	64 Å²	64	62%	0.617	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	124	177.8	-70.4	180	166.6	0	0	109.7	L309	L309-E312 HydrophobicContact CD2-CG 4.41Å; L309-E312 WeakPolarHBondContact CD2-OE1 3.48Å; L309-E312 WeakPolarHBondContact CD2-OE2 2.93Å; L309-E312 WeakPolarHBondContact O-CB 3.35Å; L309-E312 PolarHBondContact O-N 3.16Å
313	G	56	Low	78.3	Confident	77 Å²	77	62.8 Å²	62.8	79%	0.794	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	131.6	-33.1	-161.2	0	0	0	0	0	110.8	L311 N315	L311-G313 PolarHBondContact O-N 3.1Å; G313-N315 PolarHBondContact O-N 3Å
314	A	55.2	Low	78.1	Confident	48 Å²	48	63.7 Å²	63.7	40%	0.397	36%	0.355	S	S	.	.	S	Bend	trans	-83.4	107.3	161.5	0	0	0	0	0	108.2	L311 N316 Y319	L311-A314 PolarHBondContact O-N 3.08Å; L311-A314 VanDerWaalsContact O-N 3.12Å; A314-N316 PolarHBondContact O-N 2.83Å; A314-Y319 HydrophobicContact CB-CD1 4.41Å
315	N	52.6	Low	78.1	Confident	178 Å²	178	67.7 Å²	67.7	95%	0.952	37%	0.372	S	S	*	.			trans	-65.7	39.6	175.6	-82.2	-19	0	0	0	113.4	G313	G313-N315 PolarHBondContact O-N 3Å
316	N	66.9	Low	78.2	Confident	57 Å²	57	64.9 Å²	64.9	31%	0.305	36%	0.356	S	S	.	.			trans	-126.6	86.6	-172.9	-165.5	-16.2	0	0	0	110.5	A314 Q318 Y319 T320	A314-N316 PolarHBondContact O-N 2.83Å; N316-Q318 PolarHBondContact O-N 2.96Å; N316-Q318 VanDerWaalsContact O-N 3.1Å; N316-Q318 WeakPolarHBondContact OD1-CB 3.33Å; N316-Q318 PolarHBondContact OD1-N 3.28Å; N316-Y319 WeakPolarHBondContact O-CB 3.3Å; N316-Y319 PolarHBondContact O-N 3.49Å; N316-Y319 PolarHBondContact OD1-N 3.45Å; N316-T320 PolarHBondContact O-N 3.41Å
317	D	77.3	Confident	78.5	Confident	127 Å²	127	64.7 Å²	64.7	68%	0.679	36%	0.356	S	S	*	.	H	α-helix	trans	-50.8	-33.9	175.4	-73.4	-21.5	0	0	0	112	Q321	D317-Q321 VanDerWaalsContact O-CB 3.32Å; D317-Q321 WeakPolarHBondContact O-CB 3.22Å; D317-Q321 WeakPolarHBondContact O-CG 3.49Å; D317-Q321 PolarHBondContact O-N 2.58Å
318	Q	82.4	Confident	79.3	Confident	102 Å²	102	66.2 Å²	66.2	48%	0.477	36%	0.359	S	S	.	.	H	α-helix	trans	-69.4	-38	179.1	-174	178	59.3	0	0	112.6	N316 Q321 S322	N316-Q318 PolarHBondContact O-N 2.96Å; N316-Q318 VanDerWaalsContact O-N 3.1Å; N316-Q318 WeakPolarHBondContact OD1-CB 3.33Å; N316-Q318 PolarHBondContact OD1-N 3.28Å; Q318-Q321 PolarHBondContact O-N 3.32Å; Q318-S322 WeakPolarHBondContact O-CB 3.17Å; Q318-S322 PolarHBondContact O-N 2.97Å; Q318-S322 PolarHBondContact O-OG 3.45Å
319	Y	86.4	Confident	80.3	Confident	10 Å²	10	65.9 Å²	65.9	4%	0.039	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-50.2	175.4	174.9	-123.6	0	0	0	110.5	I160 N161 L311 A314 N316 Q321 S322 V323	I160-Y319 HydrophobicContact CB-CE2 4.09Å; I160-Y319 HydrophobicContact CG2-CE2 3.72Å; N161-Y319 HydrophobicContact CB-CD2 3.57Å; N161-Y319 HydrophobicContact CB-CE2 4.09Å; N161-Y319 HydrophobicContact CB-CG 4.35Å; L311-Y319 HydrophobicContact CD1-CE1 4.18Å; L311-Y319 HydrophobicContact CD2-CE1 4.08Å; A314-Y319 HydrophobicContact CB-CD1 4.41Å; N316-Y319 WeakPolarHBondContact O-CB 3.3Å; N316-Y319 PolarHBondContact O-N 3.49Å; N316-Y319 PolarHBondContact OD1-N 3.45Å; Y319-Q321 VanDerWaalsContact C-N 3.32Å; Y319-Q321 PolarHBondContact O-N 3.19Å; Y319-S322 WeakPolarHBondContact O-CB 3.34Å; Y319-S322 PolarHBondContact O-N 2.98Å; Y319-S322 VanDerWaalsContact O-N 3.13Å; Y319-V323 HydrophobicContact CD2-CG2 4.09Å; Y319-V323 HydrophobicContact CE2-CG2 3.67Å; Y319-V323 WeakPolarHBondContact O-CG2 3.39Å; Y319-V323 PolarHBondContact O-N 3.49Å
320	T	86.9	Confident	81.6	Confident	26 Å²	26	61.7 Å²	61.7	16%	0.16	34%	0.336	C	S	.	.	H	α-helix	trans	-56.5	-45.5	176.1	-63.9	0	0	0	0	111.3	I308 N316 V323 S324	I308-T320 HydrophobicContact CB-CG2 4.34Å; I308-T320 HydrophobicContact CD1-CG2 3.65Å; I308-T320 VanDerWaalsContact CD1-O 3.23Å; I308-T320 WeakPolarHBondContact CD1-O 3.47Å; I308-T320 HydrophobicContact CG1-CG2 3.75Å; I308-T320 HydrophobicContact CG2-CG2 3.75Å; N316-T320 PolarHBondContact O-N 3.41Å; T320-V323 PolarHBondContact O-N 3.07Å; T320-S324 WeakPolarHBondContact O-CB 3.28Å; T320-S324 PolarHBondContact O-N 2.76Å
321	Q	88.8	Confident	82.7	Confident	126 Å²	126	63.6 Å²	63.6	59%	0.589	34%	0.341	S	S	*	.	H	α-helix	trans	-62.8	-42.9	175.7	-74.3	169	20.4	0	0	112.8	D317 Q318 Y319 S324 K325	D317-Q321 VanDerWaalsContact O-CB 3.32Å; D317-Q321 WeakPolarHBondContact O-CB 3.22Å; D317-Q321 WeakPolarHBondContact O-CG 3.49Å; D317-Q321 PolarHBondContact O-N 2.58Å; Q318-Q321 PolarHBondContact O-N 3.32Å; Y319-Q321 VanDerWaalsContact C-N 3.32Å; Y319-Q321 PolarHBondContact O-N 3.19Å; Q321-S324 WeakPolarHBondContact O-CB 3.36Å; Q321-S324 PolarHBondContact O-N 2.77Å; Q321-K325 WeakPolarHBondContact O-CB 3.29Å; Q321-K325 PolarHBondContact O-N 3.26Å
322	S	91	Very high	84	Confident	14 Å²	14	70.9 Å²	70.9	10%	0.098	37%	0.368	C	S	.	.	H	α-helix	trans	-61.8	-47.3	177.8	-65.3	0	0	0	0	111.7	Q318 Y319 S324 K325 W326	Q318-S322 WeakPolarHBondContact O-CB 3.17Å; Q318-S322 PolarHBondContact O-N 2.97Å; Q318-S322 PolarHBondContact O-OG 3.45Å; Y319-S322 WeakPolarHBondContact O-CB 3.34Å; Y319-S322 PolarHBondContact O-N 2.98Å; Y319-S322 VanDerWaalsContact O-N 3.13Å; S322-S324 VanDerWaalsContact C-N 3.34Å; S322-S324 PolarHBondContact O-N 2.83Å; S322-K325 PolarHBondContact O-N 3.49Å; S322-W326 VanDerWaalsContact O-CD1 3.25Å; S322-W326 PolarHBondContact O-N 2.9Å
323	V	92	Very high	85.9	Confident	17 Å²	17	67.3 Å²	67.3	10%	0.103	35%	0.349	C	S	.	.	H	α-helix	trans	-62.2	-42.1	175.7	175.9	0	0	0	0	110.9	L164 M306 L311 Y319 T320 K325 S327	L164-V323 HydrophobicContact CD1-CG2 3.83Å; M306-V323 HydrophobicContact CE-CG1 4.25Å; L311-V323 HydrophobicContact CD1-CB 4.09Å; L311-V323 HydrophobicContact CD1-CG1 4Å; L311-V323 HydrophobicContact CD1-CG2 4.12Å; Y319-V323 HydrophobicContact CD2-CG2 4.09Å; Y319-V323 HydrophobicContact CE2-CG2 3.67Å; Y319-V323 WeakPolarHBondContact O-CG2 3.39Å; Y319-V323 PolarHBondContact O-N 3.49Å; T320-V323 PolarHBondContact O-N 3.07Å; V323-K325 VanDerWaalsContact C-N 3.34Å; V323-K325 PolarHBondContact O-N 3.09Å; V323-S327 VanDerWaalsContact O-CB 3.25Å; V323-S327 WeakPolarHBondContact O-CB 3.46Å; V323-S327 PolarHBondContact O-N 2.73Å; V323-S327 PolarHBondContact O-OG 2.67Å
324	S	91.9	Very high	87.9	Confident	31 Å²	31	66.3 Å²	66.3	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-59.7	-45	176	-158.2	0	0	0	0	112.1	T320 Q321 S322 S327 K328	T320-S324 WeakPolarHBondContact O-CB 3.28Å; T320-S324 PolarHBondContact O-N 2.76Å; Q321-S324 WeakPolarHBondContact O-CB 3.36Å; Q321-S324 PolarHBondContact O-N 2.77Å; S322-S324 VanDerWaalsContact C-N 3.34Å; S322-S324 PolarHBondContact O-N 2.83Å; S324-S327 PolarHBondContact O-OG 3Å; S324-K328 WeakPolarHBondContact O-CD 3.37Å; S324-K328 VanDerWaalsContact O-CG 3.28Å; S324-K328 WeakPolarHBondContact O-CG 3.47Å; S324-K328 PolarHBondContact O-N 2.95Å
325	K	94.5	Very high	90	Very high	94 Å²	94	71.4 Å²	71.4	41%	0.409	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-54.9	-178.3	176	-172.6	171.2	-170.8	0	110.2	Q321 S322 V323 K328 V329	Q321-K325 WeakPolarHBondContact O-CB 3.29Å; Q321-K325 PolarHBondContact O-N 3.26Å; S322-K325 PolarHBondContact O-N 3.49Å; V323-K325 VanDerWaalsContact C-N 3.34Å; V323-K325 PolarHBondContact O-N 3.09Å; K325-K328 WeakPolarHBondContact O-CB 3.35Å; K325-K328 PolarHBondContact O-N 3.3Å; K325-V329 WeakPolarHBondContact O-CG2 3.48Å; K325-V329 PolarHBondContact O-N 2.73Å
326	W	96.7	Very high	92.2	Very high	18 Å²	18	67 Å²	67	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-71.3	-35.5	-173.5	-71.6	115.5	0	0	0	113	L164 L167 T168 E270 S322 K328 V329 W330	L164-W326 HydrophobicContact CD2-CB 4.13Å; L164-W326 HydrophobicContact CD2-CG 3.98Å; L164-W326 PolarHBondContact O-NE1 3.25Å; L167-W326 HydrophobicContact CB-CZ2 4.03Å; L167-W326 HydrophobicContact CD1-CH2 4.48Å; L167-W326 HydrophobicContact CD2-CD2 3.64Å; L167-W326 HydrophobicContact CD2-CE3 3.71Å; L167-W326 HydrophobicContact CD2-CG 4.34Å; L167-W326 HydrophobicContact CD2-CH2 3.78Å; L167-W326 HydrophobicContact CD2-CZ2 3.7Å; L167-W326 HydrophobicContact CD2-CZ3 3.79Å; L167-W326 HydrophobicContact CG-CD2 4.37Å; L167-W326 HydrophobicContact CG-CE3 4.47Å; L167-W326 HydrophobicContact CG-CH2 3.62Å; L167-W326 HydrophobicContact CG-CZ2 3.47Å; L167-W326 VanDerWaalsContact CG-CZ2 3.47Å; L167-W326 HydrophobicContact CG-CZ3 4.13Å; T168-W326 PolarHBondContact OG1-NE1 3.25Å; T168-W326 VanDerWaalsContact OG1-NE1 3.13Å; E270-W326 HydrophobicContact CG-CE3 4.33Å; E270-W326 HydrophobicContact CG-CH2 4.33Å; E270-W326 HydrophobicContact CG-CZ3 3.65Å; S322-W326 VanDerWaalsContact O-CD1 3.25Å; S322-W326 PolarHBondContact O-N 2.9Å; W326-K328 VanDerWaalsContact C-N 3.29Å; W326-K328 PolarHBondContact O-N 3Å; W326-V329 HydrophobicContact CE3-CB 4Å; W326-V329 HydrophobicContact CE3-CG1 4.1Å; W326-V329 HydrophobicContact CE3-CG2 4.15Å; W326-V329 HydrophobicContact CZ3-CB 4.37Å; W326-V329 HydrophobicContact CZ3-CG1 4.06Å; W326-V329 HydrophobicContact CZ3-CG2 4.34Å; W326-V329 PolarHBondContact O-N 3.39Å; W326-V329 VanDerWaalsContact O-N 3.16Å; W326-W330 HydrophobicContact CB-CD2 4.42Å; W326-W330 HydrophobicContact CB-CE3 4.47Å; W326-W330 HydrophobicContact CB-CH2 4.11Å; W326-W330 HydrophobicContact CB-CZ2 4.04Å; W326-W330 HydrophobicContact CB-CZ3 4.32Å; W326-W330 VanDerWaalsContact O-CG 3.27Å; W326-W330 PolarHBondContact O-N 2.91Å
327	S	96.1	Very high	93.7	Very high	15 Å²	15	67.3 Å²	67.3	11%	0.105	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-35.9	171.5	60.1	0	0	0	0	112.8	V323 S324 R331	V323-S327 VanDerWaalsContact O-CB 3.25Å; V323-S327 WeakPolarHBondContact O-CB 3.46Å; V323-S327 PolarHBondContact O-N 2.73Å; V323-S327 PolarHBondContact O-OG 2.67Å; S324-S327 PolarHBondContact O-OG 3Å; S327-R331 WeakPolarHBondContact O-CB 3.38Å; S327-R331 VanDerWaalsContact O-CG 3.26Å; S327-R331 WeakPolarHBondContact O-CG 3.46Å; S327-R331 PolarHBondContact O-N 2.73Å; S327-R331 PolarHBondContact O-NE 2.98Å
328	K	97	Very high	94.7	Very high	116 Å²	116	61.9 Å²	61.9	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-67.7	-42.8	172.7	-73.7	168.4	-176.8	166.7	0	112.1	S324 K325 W326 R332	S324-K328 WeakPolarHBondContact O-CD 3.37Å; S324-K328 VanDerWaalsContact O-CG 3.28Å; S324-K328 WeakPolarHBondContact O-CG 3.47Å; S324-K328 PolarHBondContact O-N 2.95Å; K325-K328 WeakPolarHBondContact O-CB 3.35Å; K325-K328 PolarHBondContact O-N 3.3Å; W326-K328 VanDerWaalsContact C-N 3.29Å; W326-K328 PolarHBondContact O-N 3Å; K328-R332 PolarHBondContact O-N 3.36Å
329	V	98.3	Very high	95.5	Very high	36 Å²	36	57.1 Å²	57.1	22%	0.218	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-51.4	176.8	173.1	0	0	0	0	110.1	K325 W326 R331 R332 R333	K325-V329 WeakPolarHBondContact O-CG2 3.48Å; K325-V329 PolarHBondContact O-N 2.73Å; W326-V329 HydrophobicContact CE3-CB 4Å; W326-V329 HydrophobicContact CE3-CG1 4.1Å; W326-V329 HydrophobicContact CE3-CG2 4.15Å; W326-V329 HydrophobicContact CZ3-CB 4.37Å; W326-V329 HydrophobicContact CZ3-CG1 4.06Å; W326-V329 HydrophobicContact CZ3-CG2 4.34Å; W326-V329 PolarHBondContact O-N 3.39Å; W326-V329 VanDerWaalsContact O-N 3.16Å; V329-R331 PolarHBondContact O-N 2.95Å; V329-R332 WeakPolarHBondContact O-CA 3.19Å; V329-R332 VanDerWaalsContact O-CB 3.31Å; V329-R332 WeakPolarHBondContact O-CB 3.43Å; V329-R332 PolarHBondContact O-N 3.31Å; V329-R333 HydrophobicContact CG1-CG 4.42Å; V329-R333 WeakPolarHBondContact O-CG 3.4Å; V329-R333 PolarHBondContact O-N 3.01Å
330	W	98.6	Very high	96	Very high	8 Å²	8	60.4 Å²	60.4	3%	0.03	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-33.4	-177.7	-59.7	-29.3	0	0	0	113.3	L164 L167 V263 L266 L303 L304 W326 R332 R333 I334 F339	L164-W330 HydrophobicContact CD2-CH2 3.84Å; L164-W330 HydrophobicContact CD2-CZ2 4.28Å; L167-W330 HydrophobicContact CD2-CZ2 4.18Å; V263-W330 HydrophobicContact CG1-CH2 4.18Å; L266-W330 HydrophobicContact CB-CD2 4.08Å; L266-W330 HydrophobicContact CB-CE3 4.18Å; L266-W330 HydrophobicContact CB-CH2 3.77Å; L266-W330 HydrophobicContact CB-CZ2 3.66Å; L266-W330 HydrophobicContact CB-CZ3 4.03Å; L266-W330 HydrophobicContact CD1-CD2 4.32Å; L266-W330 HydrophobicContact CD1-CE3 3.75Å; L266-W330 HydrophobicContact CD1-CH2 4.32Å; L266-W330 HydrophobicContact CD1-CZ3 3.76Å; L266-W330 HydrophobicContact CD2-CD2 4.4Å; L266-W330 HydrophobicContact CG-CE3 4.41Å; L266-W330 HydrophobicContact CG-CZ3 4.49Å; L303-W330 HydrophobicContact CD2-CE3 4.24Å; L303-W330 HydrophobicContact CD2-CZ3 4.03Å; L304-W330 HydrophobicContact CD2-CB 3.6Å; L304-W330 HydrophobicContact CD2-CE3 4.12Å; W326-W330 HydrophobicContact CB-CD2 4.42Å; W326-W330 HydrophobicContact CB-CE3 4.47Å; W326-W330 HydrophobicContact CB-CH2 4.11Å; W326-W330 HydrophobicContact CB-CZ2 4.04Å; W326-W330 HydrophobicContact CB-CZ3 4.32Å; W326-W330 VanDerWaalsContact O-CG 3.27Å; W326-W330 PolarHBondContact O-N 2.91Å; W330-R332 VanDerWaalsContact C-N 3.28Å; W330-R332 PolarHBondContact O-N 3.25Å; W330-R333 WeakPolarHBondContact O-CB 3.35Å; W330-R333 PolarHBondContact O-N 2.84Å; W330-I334 WeakPolarHBondContact O-CG1 3.19Å; W330-I334 PolarHBondContact O-N 2.79Å; W330-F339 HydrophobicContact CB-CD2 4.3Å; W330-F339 HydrophobicContact CB-CE2 4.18Å; W330-F339 AromaticContact CD1-CE2 3.38Å; W330-F339 HydrophobicContact CG-CD2 4.45Å; W330-F339 AromaticContact CG-CE2 3.86Å; W330-F339 HydrophobicContact CG-CE2 3.86Å; W330-F339 AromaticContact NE1-CE2 3.97Å
331	R	98.4	Very high	96.6	Very high	92 Å²	92	61.9 Å²	61.9	35%	0.347	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-38.8	169.2	-78.7	-174.6	-66.2	173.6	-4.5	112.2	L304 N305 S327 V329 I334 Q335	L304-R331 HydrophobicContact CB-CG 4.04Å; L304-R331 HydrophobicContact CD1-CG 4.47Å; L304-R331 WeakPolarHBondContact O-CD 3.44Å; N305-R331 WeakPolarHBondContact OD1-CD 3.2Å; S327-R331 WeakPolarHBondContact O-CB 3.38Å; S327-R331 VanDerWaalsContact O-CG 3.26Å; S327-R331 WeakPolarHBondContact O-CG 3.46Å; S327-R331 PolarHBondContact O-N 2.73Å; S327-R331 PolarHBondContact O-NE 2.98Å; V329-R331 PolarHBondContact O-N 2.95Å; R331-I334 PolarHBondContact O-N 3.25Å; R331-Q335 VanDerWaalsContact O-CG 3.28Å; R331-Q335 WeakPolarHBondContact O-CG 3.14Å; R331-Q335 PolarHBondContact O-N 3.37Å
332	R	98.6	Very high	97.1	Very high	165 Å²	165	58.4 Å²	58.4	62%	0.623	27%	0.273	S	S	*	.	H	α-helix	trans	-66.4	-41.9	173.7	-172.8	176.4	-64.6	148.8	0.9	111.7	K328 V329 W330 I334 Q335 D336	K328-R332 PolarHBondContact O-N 3.36Å; V329-R332 WeakPolarHBondContact O-CA 3.19Å; V329-R332 VanDerWaalsContact O-CB 3.31Å; V329-R332 WeakPolarHBondContact O-CB 3.43Å; V329-R332 PolarHBondContact O-N 3.31Å; W330-R332 VanDerWaalsContact C-N 3.28Å; W330-R332 PolarHBondContact O-N 3.25Å; R332-I334 PolarHBondContact O-N 3.04Å; R332-Q335 WeakPolarHBondContact O-CB 3.38Å; R332-Q335 PolarHBondContact O-N 3.23Å; R332-Q335 VanDerWaalsContact O-N 3.07Å; R332-D336 VanDerWaalsContact O-CG 3.25Å; R332-D336 PolarHBondContact O-N 2.82Å
333	R	98.6	Very high	97.4	Very high	56 Å²	56	61.4 Å²	61.4	21%	0.211	29%	0.29	C	S	.	.	H	α-helix	trans	-56.8	-37.5	173.5	-61.7	-68.3	-172.3	-169.5	0.8	112.3	E270 V329 W330 D336 S337 S338 F339	E270-R333 IonicContact OE1-CZ 3.74Å; E270-R333 IonicContact OE1-NE 2.94Å; E270-R333 PolarHBondContact OE1-NE 3.04Å; E270-R333 IonicContact OE1-NH2 3.71Å; E270-R333 PolarHBondContact OE1-NH2 2.73Å; E270-R333 IonicContact OE2-CZ 3.96Å; E270-R333 IonicContact OE2-NE 2.74Å; E270-R333 PolarHBondContact OE2-NE 3.48Å; E270-R333 IonicContact OE2-NH2 3.49Å; V329-R333 HydrophobicContact CG1-CG 4.42Å; V329-R333 WeakPolarHBondContact O-CG 3.4Å; V329-R333 PolarHBondContact O-N 3.01Å; W330-R333 WeakPolarHBondContact O-CB 3.35Å; W330-R333 PolarHBondContact O-N 2.84Å; R333-D336 WeakPolarHBondContact CA-OD1 3.3Å; R333-S337 PolarHBondContact O-N 3.1Å; R333-S338 WeakPolarHBondContact CA-OG 3.26Å; R333-S338 WeakPolarHBondContact CD-OG 3.28Å; R333-S338 PolarHBondContact O-N 3.01Å; R333-S338 PolarHBondContact O-OG 3.11Å; R333-F339 HydrophobicContact CB-CB 3.71Å; R333-F339 HydrophobicContact CB-CD1 4Å; R333-F339 HydrophobicContact CB-CD2 3.6Å; R333-F339 HydrophobicContact CB-CE2 4.22Å; R333-F339 HydrophobicContact CB-CG 3.47Å; R333-F339 VanDerWaalsContact CB-CG 3.47Å; R333-F339 HydrophobicContact CG-CD1 4.38Å; R333-F339 HydrophobicContact CG-CD2 4.12Å; R333-F339 HydrophobicContact CG-CE1 4.46Å; R333-F339 HydrophobicContact CG-CE2 4.23Å; R333-F339 HydrophobicContact CG-CG 4.2Å; R333-F339 HydrophobicContact CG-CZ 4.38Å; R333-F339 PolarHBondContact O-N 2.71Å
334	I	98.6	Very high	97.6	Very high	56 Å²	56	61 Å²	61	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-69.2	-44.9	174.7	-65.7	-71.3	0	0	0	110.9	F300 L304 W330 R331 R332 D336 S337 F339	F300-I334 HydrophobicContact CE1-CD1 3.72Å; F300-I334 HydrophobicContact CE1-CG1 4.28Å; F300-I334 HydrophobicContact CZ-CD1 4.09Å; L304-I334 HydrophobicContact CD1-CG1 4.1Å; W330-I334 WeakPolarHBondContact O-CG1 3.19Å; W330-I334 PolarHBondContact O-N 2.79Å; R331-I334 PolarHBondContact O-N 3.25Å; R332-I334 PolarHBondContact O-N 3.04Å; I334-D336 VanDerWaalsContact C-N 3.34Å; I334-D336 PolarHBondContact O-N 2.9Å; I334-S337 PolarHBondContact O-N 3.37Å; I334-S337 VanDerWaalsContact O-N 3.16Å; I334-F339 HydrophobicContact CD1-CB 3.59Å; I334-F339 HydrophobicContact CG1-CB 4.1Å
335	Q	98.4	Very high	97.9	Very high	156 Å²	156	62.4 Å²	62.4	73%	0.729	29%	0.29	S	S	*	.	H	α-helix	trans	-61.6	-39.6	179.3	-72.4	168.1	-7.8	0	0	112.9	R331 R332 S337	R331-Q335 VanDerWaalsContact O-CG 3.28Å; R331-Q335 WeakPolarHBondContact O-CG 3.14Å; R331-Q335 PolarHBondContact O-N 3.37Å; R332-Q335 WeakPolarHBondContact O-CB 3.38Å; R332-Q335 PolarHBondContact O-N 3.23Å; R332-Q335 VanDerWaalsContact O-N 3.07Å; Q335-S337 VanDerWaalsContact C-N 3.3Å
336	D	98.4	Very high	98	Very high	86 Å²	86	58 Å²	58	46%	0.46	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	4.3	177.9	69.1	25.1	0	0	0	113.6	R332 R333 I334 S338	R332-D336 VanDerWaalsContact O-CG 3.25Å; R332-D336 PolarHBondContact O-N 2.82Å; R333-D336 WeakPolarHBondContact CA-OD1 3.3Å; I334-D336 VanDerWaalsContact C-N 3.34Å; I334-D336 PolarHBondContact O-N 2.9Å; D336-S338 PolarHBondContact O-N 3.46Å; D336-S338 WeakPolarHBondContact OD1-CB 3.45Å; D336-S338 PolarHBondContact OD1-N 3.44Å; D336-S338 PolarHBondContact OD1-OG 3.22Å
337	S	98.4	Very high	98.1	Very high	62 Å²	62	57.1 Å²	57.1	43%	0.434	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	16.6	-180	-56.8	0	0	0	0	115.4	R333 I334 Q335 R340	R333-S337 PolarHBondContact O-N 3.1Å; I334-S337 PolarHBondContact O-N 3.37Å; I334-S337 VanDerWaalsContact O-N 3.16Å; Q335-S337 VanDerWaalsContact C-N 3.3Å; S337-R340 WeakPolarHBondContact O-CG 3.5Å; S337-R340 PolarHBondContact O-NE 3.26Å; S337-R340 PolarHBondContact O-NH2 3.03Å
338	S	98.6	Very high	98.2	Very high	14 Å²	14	56.4 Å²	56.4	10%	0.098	26%	0.262	C	S	.	.	S	Bend	trans	-75.6	-29.1	168.9	62	0	0	0	0	111.9	Y280 V281 R333 D336	Y280-S338 CarbonylContact C-O 3.29Å; Y280-S338 WeakPolarHBondContact CA-O 3.34Å; Y280-S338 WeakPolarHBondContact CB-O 3.27Å; V281-S338 PolarHBondContact N-O 2.92Å; R333-S338 WeakPolarHBondContact CA-OG 3.26Å; R333-S338 WeakPolarHBondContact CD-OG 3.28Å; R333-S338 PolarHBondContact O-N 3.01Å; R333-S338 PolarHBondContact O-OG 3.11Å; D336-S338 PolarHBondContact O-N 3.46Å; D336-S338 WeakPolarHBondContact OD1-CB 3.45Å; D336-S338 PolarHBondContact OD1-N 3.44Å; D336-S338 PolarHBondContact OD1-OG 3.22Å
339	F	98.8	Very high	98.2	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.5	156.3	-74.6	-0.7	0	0	0	109.4	L266 A269 E270 L273 V281 F283 W330 R333 I334	L266-F339 HydrophobicContact CD2-CD2 3.96Å; L266-F339 HydrophobicContact CD2-CE2 3.67Å; A269-F339 HydrophobicContact CB-CD1 4.42Å; A269-F339 HydrophobicContact CB-CE1 3.5Å; A269-F339 HydrophobicContact CB-CE2 4.43Å; A269-F339 HydrophobicContact CB-CZ 3.52Å; E270-F339 HydrophobicContact CB-CZ 4.24Å; L273-F339 HydrophobicContact CD1-CD1 3.57Å; L273-F339 HydrophobicContact CD1-CE1 3.34Å; L273-F339 HydrophobicContact CD1-CZ 4.39Å; L273-F339 HydrophobicContact CG-CE1 4.11Å; V281-F339 HydrophobicContact CB-CD1 4.18Å; V281-F339 HydrophobicContact CB-CE1 4.34Å; V281-F339 HydrophobicContact CG2-CE1 4.41Å; V281-F339 CarbonylContact O-C 3.48Å; V281-F339 WeakPolarHBondContact O-CA 3.49Å; F283-F339 HydrophobicContact CE2-CB 3.94Å; F283-F339 AromaticContact CE2-CD1 3.96Å; F283-F339 HydrophobicContact CE2-CD1 3.96Å; F283-F339 AromaticContact CE2-CD2 3.74Å; F283-F339 HydrophobicContact CE2-CD2 3.74Å; F283-F339 HydrophobicContact CE2-CE1 4.39Å; F283-F339 HydrophobicContact CE2-CE2 4.18Å; F283-F339 AromaticContact CE2-CG 3.63Å; F283-F339 HydrophobicContact CE2-CG 3.63Å; F283-F339 HydrophobicContact CZ-CD1 4.41Å; F283-F339 HydrophobicContact CZ-CD2 4.2Å; F283-F339 HydrophobicContact CZ-CE1 4.4Å; F283-F339 HydrophobicContact CZ-CE2 4.17Å; F283-F339 HydrophobicContact CZ-CG 4.34Å; F283-F339 HydrophobicContact CZ-CZ 4.29Å; W330-F339 HydrophobicContact CB-CD2 4.3Å; W330-F339 HydrophobicContact CB-CE2 4.18Å; W330-F339 AromaticContact CD1-CE2 3.38Å; W330-F339 HydrophobicContact CG-CD2 4.45Å; W330-F339 AromaticContact CG-CE2 3.86Å; W330-F339 HydrophobicContact CG-CE2 3.86Å; W330-F339 AromaticContact NE1-CE2 3.97Å; R333-F339 HydrophobicContact CB-CB 3.71Å; R333-F339 HydrophobicContact CB-CD1 4Å; R333-F339 HydrophobicContact CB-CD2 3.6Å; R333-F339 HydrophobicContact CB-CE2 4.22Å; R333-F339 HydrophobicContact CB-CG 3.47Å; R333-F339 VanDerWaalsContact CB-CG 3.47Å; R333-F339 HydrophobicContact CG-CD1 4.38Å; R333-F339 HydrophobicContact CG-CD2 4.12Å; R333-F339 HydrophobicContact CG-CE1 4.46Å; R333-F339 HydrophobicContact CG-CE2 4.23Å; R333-F339 HydrophobicContact CG-CG 4.2Å; R333-F339 HydrophobicContact CG-CZ 4.38Å; R333-F339 PolarHBondContact O-N 2.71Å; I334-F339 HydrophobicContact CD1-CB 3.59Å; I334-F339 HydrophobicContact CG1-CB 4.1Å
340	R	98.6	Very high	98.2	Very high	79 Å²	79	49.8 Å²	49.8	30%	0.298	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.9	177.3	-55.6	175.6	-169.5	173.1	1.4	108.9	Y280 V281 S282 F283 S337	Y280-R340 VanDerWaalsContact CE2-NH1 3.28Å; Y280-R340 VanDerWaalsContact CG-CZ 3.44Å; V281-R340 PolarHBondContact O-N 3.42Å; S282-R340 CarbonylContact C-O 3.5Å; S282-R340 WeakPolarHBondContact CA-O 3.48Å; F283-R340 WeakPolarHBondContact CD2-O 3.29Å; F283-R340 PolarHBondContact N-O 3.08Å; S337-R340 WeakPolarHBondContact O-CG 3.5Å; S337-R340 PolarHBondContact O-NE 3.26Å; S337-R340 PolarHBondContact O-NH2 3.03Å
341	F	98.7	Very high	98.1	Very high	58 Å²	58	49.6 Å²	49.6	25%	0.254	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.4	171.9	-171.7	-92	0	0	0	109.4	L255 F283 V295 G297 F300 T343	L255-F341 HydrophobicContact CD1-CE2 4.18Å; F283-F341 HydrophobicContact CB-CD2 4.02Å; F283-F341 CarbonylContact O-C 3.55Å; F283-F341 WeakPolarHBondContact O-CA 3.11Å; V295-F341 HydrophobicContact CG1-CE2 4.2Å; G297-F341 VanDerWaalsContact CA-CZ 3.47Å; F300-F341 HydrophobicContact CB-CD2 3.93Å; F300-F341 HydrophobicContact CB-CE2 3.71Å; F300-F341 HydrophobicContact CB-CZ 4.28Å; F300-F341 HydrophobicContact CD1-CB 4.39Å; F300-F341 AromaticContact CD1-CD2 3.91Å; F300-F341 HydrophobicContact CD1-CD2 3.91Å; F300-F341 HydrophobicContact CD1-CG 4.3Å; F300-F341 AromaticContact CD2-CD2 3.53Å; F300-F341 HydrophobicContact CD2-CD2 3.53Å; F300-F341 AromaticContact CD2-CE2 3.75Å; F300-F341 HydrophobicContact CD2-CE2 3.75Å; F300-F341 HydrophobicContact CE1-CB 4.33Å; F300-F341 HydrophobicContact CE1-CD2 4.28Å; F300-F341 AromaticContact CE2-CD2 3.96Å; F300-F341 HydrophobicContact CE2-CD2 3.96Å; F300-F341 AromaticContact CG-CD2 3.51Å; F300-F341 HydrophobicContact CG-CD2 3.51Å; F300-F341 AromaticContact CG-CE2 3.77Å; F300-F341 HydrophobicContact CG-CE2 3.77Å; F300-F341 HydrophobicContact CG-CG 4.29Å; F300-F341 HydrophobicContact CZ-CD2 4.31Å; F341-T343 HydrophobicContact CD1-CG2 4.32Å; F341-T343 HydrophobicContact CE1-CG2 3.53Å; F341-T343 HydrophobicContact CZ-CG2 4.23Å
342	K	98.5	Very high	98.1	Very high	53 Å²	53	45.5 Å²	45.5	23%	0.23	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152	-179	-62.2	-174.5	-176.8	-179.9	0	110	F283 H284 G285 N366	F283-K342 PolarHBondContact O-N 3.25Å; H284-K342 WeakPolarHBondContact CA-O 3.44Å; G285-K342 PolarHBondContact N-O 2.86Å; K342-N366 VanDerWaalsContact NZ-CG 3.3Å; K342-N366 PolarHBondContact NZ-ND2 3.36Å; K342-N366 PolarHBondContact NZ-OD1 3.48Å
343	T	97.8	Very high	98.1	Very high	76 Å²	76	37.9 Å²	37.9	47%	0.466	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	160.8	170.6	61.8	0	0	0	0	109.7	S287 F341	S287-T343 WeakPolarHBondContact OG-CB 3.33Å; F341-T343 HydrophobicContact CD1-CG2 4.32Å; F341-T343 HydrophobicContact CE1-CG2 3.53Å; F341-T343 HydrophobicContact CZ-CG2 4.23Å
344	S	97.3	Very high	98	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	147	166.2	161.2	0	0	0	0	107.1	S287 F346 W347 D360	S287-S344 PolarHBondContact OG-N 2.86Å; S287-S344 PolarHBondContact OG-O 3.32Å; S344-F346 PolarHBondContact O-N 2.65Å; S344-F346 VanDerWaalsContact OG-CB 3.27Å; S344-F346 WeakPolarHBondContact OG-CB 3.29Å; S344-F346 PolarHBondContact OG-N 2.86Å; S344-W347 PolarHBondContact O-N 2.96Å; S344-D360 PolarHBondContact OG-OD2 2.76Å
345	Y	96.3	Very high	97.9	Very high	60 Å²	60	38.7 Å²	38.7	24%	0.235	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-62.1	-24.7	173.3	66.8	-93.3	0	0	0	111.5	E84 L87 S287 W347 T348 T349 V359	E84-Y345 HydrophobicContact CB-CG 4.45Å; E84-Y345 HydrophobicContact CG-CD2 4.48Å; L87-Y345 HydrophobicContact CD2-CD2 4.16Å; L87-Y345 HydrophobicContact CD2-CE2 3.73Å; S287-Y345 PolarHBondContact OG-N 3.44Å; Y345-W347 PolarHBondContact O-N 3.33Å; Y345-T348 CarbonylContact O-C 3.52Å; Y345-T348 PolarHBondContact O-N 3.43Å; Y345-T348 PolarHBondContact O-OG1 2.89Å; Y345-T349 HydrophobicContact CD2-CG2 4.48Å; Y345-T349 WeakPolarHBondContact O-CG2 3.5Å; Y345-V359 HydrophobicContact CE2-CG1 4.07Å; Y345-V359 PolarHBondContact OH-O 3.23Å
346	F	98.1	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-55.1	-39	176.8	179	-86.2	0	0	0	112.2	S344 T348 T349 C351 Y353 I356 V359 D360 L363	S344-F346 PolarHBondContact O-N 2.65Å; S344-F346 VanDerWaalsContact OG-CB 3.27Å; S344-F346 WeakPolarHBondContact OG-CB 3.29Å; S344-F346 PolarHBondContact OG-N 2.86Å; F346-T348 PolarHBondContact O-N 3.01Å; F346-T348 VanDerWaalsContact O-N 3.12Å; F346-T349 PolarHBondContact O-N 3.39Å; F346-T349 VanDerWaalsContact O-N 3.14Å; F346-T349 PolarHBondContact O-OG1 3.4Å; F346-C351 HydrophobicContact CE2-CB 3.75Å; F346-C351 HydrophobicContact CZ-CB 4.06Å; F346-Y353 AromaticContact CE1-CD1 3.66Å; F346-Y353 HydrophobicContact CE1-CD1 3.66Å; F346-Y353 AromaticContact CE1-CE1 3.86Å; F346-Y353 HydrophobicContact CE1-CE1 3.86Å; F346-Y353 HydrophobicContact CZ-CD1 4.09Å; F346-I356 HydrophobicContact CD1-CG1 4.16Å; F346-I356 HydrophobicContact CE1-CD1 4.28Å; F346-I356 HydrophobicContact CE1-CG1 3.49Å; F346-I356 VanDerWaalsContact CE1-CG1 3.49Å; F346-I356 HydrophobicContact CE2-CB 4.31Å; F346-I356 HydrophobicContact CE2-CG1 3.93Å; F346-I356 HydrophobicContact CZ-CB 4.21Å; F346-I356 HydrophobicContact CZ-CD1 4.49Å; F346-I356 HydrophobicContact CZ-CG1 3.35Å; F346-V359 HydrophobicContact CD2-CB 3.77Å; F346-V359 HydrophobicContact CD2-CG1 3.67Å; F346-V359 HydrophobicContact CE2-CB 3.99Å; F346-V359 HydrophobicContact CE2-CG1 4.26Å; F346-V359 HydrophobicContact CE2-CG2 4.37Å; F346-D360 HydrophobicContact CB-CB 4.1Å; F346-L363 HydrophobicContact CB-CD2 3.8Å; F346-L363 HydrophobicContact CD1-CD2 3.88Å; F346-L363 HydrophobicContact CG-CD2 3.96Å
347	W	98.3	Very high	97.9	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-63.3	-23.1	-178.7	-55.4	132.1	0	0	0	113.2	I254 H284 K286 S344 Y345 Y353 L363 L367 F376 K384	I254-W347 HydrophobicContact CD1-CH2 3.89Å; I254-W347 HydrophobicContact CD1-CZ2 3.85Å; I254-W347 HydrophobicContact CG1-CH2 4.26Å; I254-W347 HydrophobicContact CG2-CD2 4.43Å; I254-W347 HydrophobicContact CG2-CE3 4.12Å; I254-W347 HydrophobicContact CG2-CH2 4.09Å; I254-W347 HydrophobicContact CG2-CZ2 4.36Å; I254-W347 HydrophobicContact CG2-CZ3 3.97Å; H284-W347 HydrophobicContact CB-CZ2 4.1Å; H284-W347 AromaticContact ND1-CE2 3.99Å; H284-W347 AromaticContact ND1-CZ2 3.61Å; H284-W347 AromaticContact ND1-NE1 3.76Å; K286-W347 HydrophobicContact CD-CB 3.7Å; S344-W347 PolarHBondContact O-N 2.96Å; Y345-W347 PolarHBondContact O-N 3.33Å; W347-Y353 HydrophobicContact CE3-CE1 4Å; W347-Y353 HydrophobicContact CZ3-CD1 4.18Å; W347-Y353 AromaticContact CZ3-CE1 3.58Å; W347-Y353 HydrophobicContact CZ3-CE1 3.58Å; W347-L363 HydrophobicContact CD2-CD2 4.39Å; W347-L363 HydrophobicContact CH2-CD1 4.42Å; W347-L363 HydrophobicContact CH2-CD2 3.93Å; W347-L363 HydrophobicContact CZ2-CD1 3.67Å; W347-L363 HydrophobicContact CZ2-CD2 3.64Å; W347-L363 HydrophobicContact CZ2-CG 4.18Å; W347-L363 HydrophobicContact CZ3-CD2 4.41Å; W347-L367 HydrophobicContact CH2-CD1 3.93Å; W347-L367 HydrophobicContact CZ2-CD1 4.31Å; W347-F376 HydrophobicContact CH2-CE1 4.43Å; W347-F376 HydrophobicContact CZ3-CE1 4.23Å; W347-K384 PolarHBondContact O-NZ 3.22Å
348	T	97.8	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-107.4	30.8	-179.9	54.7	0	0	0	0	112.1	W88 K286 I288 W290 Y345 F346	W88-T348 VanDerWaalsContact CZ2-O 3.3Å; W88-T348 WeakPolarHBondContact CZ2-O 3.35Å; W88-T348 PolarHBondContact NE1-O 3.37Å; K286-T348 HydrophobicContact CB-CG2 3.75Å; K286-T348 HydrophobicContact CD-CG2 4.25Å; K286-T348 HydrophobicContact CG-CG2 4.4Å; I288-T348 HydrophobicContact CG1-CG2 3.77Å; W290-T348 HydrophobicContact CB-CG2 4.05Å; W290-T348 HydrophobicContact CD2-CG2 3.74Å; W290-T348 HydrophobicContact CE3-CG2 3.93Å; W290-T348 HydrophobicContact CG-CG2 3.78Å; W290-T348 VanDerWaalsContact CH2-O 3.31Å; W290-T348 WeakPolarHBondContact CH2-O 3.13Å; Y345-T348 CarbonylContact O-C 3.52Å; Y345-T348 PolarHBondContact O-N 3.43Å; Y345-T348 PolarHBondContact O-OG1 2.89Å; F346-T348 PolarHBondContact O-N 3.01Å; F346-T348 VanDerWaalsContact O-N 3.12Å
349	T	97.7	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-108.4	174.9	167.3	72.7	0	0	0	0	111.3	L87 Y345 F346 C351 K384	L87-T349 HydrophobicContact CD2-CG2 3.92Å; Y345-T349 HydrophobicContact CD2-CG2 4.48Å; Y345-T349 WeakPolarHBondContact O-CG2 3.5Å; F346-T349 PolarHBondContact O-N 3.39Å; F346-T349 VanDerWaalsContact O-N 3.14Å; F346-T349 PolarHBondContact O-OG1 3.4Å; T349-C351 VanDerWaalsContact C-N 3.34Å; T349-C351 WeakPolarHBondContact OG1-CB 3.32Å; T349-C351 PolarHBondContact OG1-N 3.16Å; T349-C351 VanDerWaalsContact OG1-N 3.16Å; T349-K384 WeakPolarHBondContact O-CE 3.23Å; T349-K384 PolarHBondContact O-NZ 3.42Å
350	S	96.9	Very high	97.6	Very high	12 Å²	12	35.9 Å²	35.9	8%	0.084	19%	0.189	C	C	.	.	S	Bend	trans	-86	-2	168.4	56.3	0	0	0	0	114.2	F121	F121-S350 WeakPolarHBondContact CD2-OG 3.42Å; F121-S350 WeakPolarHBondContact CE2-OG 3.32Å
351	C	98.3	Very high	97.6	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.027	20%	0.196	C	C	.	.			trans	-65.8	147.3	-176.7	-60.8	0	0	0	0	112.3	F346 T349 E355 V359	F346-C351 HydrophobicContact CE2-CB 3.75Å; F346-C351 HydrophobicContact CZ-CB 4.06Å; T349-C351 VanDerWaalsContact C-N 3.34Å; T349-C351 WeakPolarHBondContact OG1-CB 3.32Å; T349-C351 PolarHBondContact OG1-N 3.16Å; T349-C351 VanDerWaalsContact OG1-N 3.16Å; C351-E355 HydrophobicContact CB-CB 4.23Å; C351-V359 HydrophobicContact CB-CG2 4.47Å
352	T	98.1	Very high	97.5	Very high	7 Å²	7	36 Å²	36	4%	0.043	21%	0.213	C	C	.	.			trans	-88.7	161.9	176.4	55.7	0	0	0	0	110.6	L120 D354 E355 K384 R405	L120-T352 HydrophobicContact CD2-CG2 4.05Å; T352-D354 VanDerWaalsContact C-N 3.29Å; T352-D354 WeakPolarHBondContact CB-OD1 3.38Å; T352-D354 PolarHBondContact O-N 3.23Å; T352-D354 PolarHBondContact OG1-OD1 3.31Å; T352-E355 WeakPolarHBondContact CB-OE2 3.4Å; T352-E355 PolarHBondContact N-OE2 2.94Å; T352-E355 VanDerWaalsContact O-CB 3.31Å; T352-E355 WeakPolarHBondContact O-CB 3.21Å; T352-E355 PolarHBondContact O-N 2.96Å; T352-E355 PolarHBondContact OG1-OE2 2.97Å; T352-K384 WeakPolarHBondContact CB-O 3.34Å; T352-R405 PolarHBondContact OG1-NH2 3.4Å
353	Y	98.1	Very high	97.5	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.016	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-76.5	-13.1	-166.9	-64.2	-37.9	0	0	0	115.7	F346 W347 E355 I356 F376 N381 K384 L385	F346-Y353 AromaticContact CE1-CD1 3.66Å; F346-Y353 HydrophobicContact CE1-CD1 3.66Å; F346-Y353 AromaticContact CE1-CE1 3.86Å; F346-Y353 HydrophobicContact CE1-CE1 3.86Å; F346-Y353 HydrophobicContact CZ-CD1 4.09Å; W347-Y353 HydrophobicContact CE3-CE1 4Å; W347-Y353 HydrophobicContact CZ3-CD1 4.18Å; W347-Y353 AromaticContact CZ3-CE1 3.58Å; W347-Y353 HydrophobicContact CZ3-CE1 3.58Å; Y353-E355 PolarHBondContact O-N 3.01Å; Y353-I356 HydrophobicContact CD1-CD1 3.91Å; Y353-I356 HydrophobicContact CD1-CG1 4.19Å; Y353-I356 HydrophobicContact CG-CD1 4.18Å; Y353-I356 WeakPolarHBondContact O-CD1 3.35Å; Y353-I356 VanDerWaalsContact O-CG1 3.3Å; Y353-I356 WeakPolarHBondContact O-CG1 3.25Å; Y353-F376 HydrophobicContact CD1-CE1 4.23Å; Y353-F376 AromaticContact CD2-CD1 3.98Å; Y353-F376 HydrophobicContact CD2-CD1 3.98Å; Y353-F376 AromaticContact CD2-CE1 3.55Å; Y353-F376 HydrophobicContact CD2-CE1 3.55Å; Y353-F376 AromaticContact CD2-CZ 3.87Å; Y353-F376 HydrophobicContact CD2-CZ 3.87Å; Y353-F376 AromaticContact CE1-CE1 3.89Å; Y353-F376 HydrophobicContact CE1-CE1 3.89Å; Y353-F376 AromaticContact CE2-CD1 3.2Å; Y353-F376 HydrophobicContact CE2-CD1 3.2Å; Y353-F376 AromaticContact CE2-CE1 3.11Å; Y353-F376 HydrophobicContact CE2-CE1 3.11Å; Y353-F376 HydrophobicContact CE2-CG 4.04Å; Y353-F376 AromaticContact CE2-CZ 3.9Å; Y353-F376 HydrophobicContact CE2-CZ 3.9Å; Y353-F376 HydrophobicContact CG-CE1 4.08Å; Y353-F376 HydrophobicContact CG-CZ 4.25Å; Y353-F376 AromaticContact CZ-CD1 3.53Å; Y353-F376 AromaticContact CZ-CE1 3.28Å; Y353-F376 WeakPolarHBondContact OH-CD1 3.45Å; Y353-N381 HydrophobicContact CE2-CB 4.2Å; Y353-N381 WeakPolarHBondContact CE2-O 3.29Å; Y353-N381 WeakPolarHBondContact OH-CA 3.28Å; Y353-N381 VanDerWaalsContact OH-CB 3.23Å; Y353-N381 WeakPolarHBondContact OH-CB 3.26Å; Y353-N381 PolarHBondContact OH-OD1 3.5Å; Y353-K384 HydrophobicContact CD1-CB 4.22Å; Y353-K384 HydrophobicContact CD2-CB 3.92Å; Y353-K384 HydrophobicContact CE1-CB 3.93Å; Y353-K384 HydrophobicContact CE1-CD 3.84Å; Y353-K384 HydrophobicContact CE2-CB 3.64Å; Y353-K384 HydrophobicContact CG-CB 4.22Å; Y353-K384 PolarHBondContact N-O 3.26Å; Y353-K384 VanDerWaalsContact N-O 3.13Å; Y353-L385 HydrophobicContact CD2-CB 4.21Å; Y353-L385 HydrophobicContact CD2-CD2 3.53Å; Y353-L385 HydrophobicContact CD2-CG 3.51Å; Y353-L385 HydrophobicContact CE2-CD2 4.17Å; Y353-L385 HydrophobicContact CE2-CG 3.78Å
354	D	96.3	Very high	97.5	Very high	63 Å²	63	32.4 Å²	32.4	34%	0.337	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-70.8	-10.4	165.1	54.4	-53.3	0	0	0	113.1	T352 R405	T352-D354 VanDerWaalsContact C-N 3.29Å; T352-D354 WeakPolarHBondContact CB-OD1 3.38Å; T352-D354 PolarHBondContact O-N 3.23Å; T352-D354 PolarHBondContact OG1-OD1 3.31Å; D354-R405 HydrophobicContact CB-CB 3.96Å; D354-R405 WeakPolarHBondContact CB-O 3.48Å; D354-R405 IonicContact OD1-CZ 2.83Å; D354-R405 IonicContact OD1-NE 3.26Å; D354-R405 IonicContact OD1-NH2 2.87Å; D354-R405 PolarHBondContact OD1-NH2 3.45Å; D354-R405 IonicContact OD2-CZ 3.35Å; D354-R405 VanDerWaalsContact OD2-CZ 3.23Å; D354-R405 IonicContact OD2-NE 2.74Å; D354-R405 PolarHBondContact OD2-NE 3.44Å; D354-R405 IonicContact OD2-NH2 3.93Å; D354-R405 PolarHBondContact OD2-NH2 2.97Å
355	E	97.6	Very high	97.5	Very high	67 Å²	67	36.6 Å²	36.6	31%	0.313	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-99.3	-0.5	178.7	-56.3	171.6	91.8	0	0	112.8	C351 T352 Y353 E357 A358 V359	C351-E355 HydrophobicContact CB-CB 4.23Å; T352-E355 WeakPolarHBondContact CB-OE2 3.4Å; T352-E355 PolarHBondContact N-OE2 2.94Å; T352-E355 VanDerWaalsContact O-CB 3.31Å; T352-E355 WeakPolarHBondContact O-CB 3.21Å; T352-E355 PolarHBondContact O-N 2.96Å; T352-E355 PolarHBondContact OG1-OE2 2.97Å; Y353-E355 PolarHBondContact O-N 3.01Å; E355-E357 VanDerWaalsContact C-N 3.32Å; E355-E357 PolarHBondContact O-N 2.75Å; E355-A358 PolarHBondContact O-N 2.88Å; E355-V359 HydrophobicContact CB-CG2 4.29Å; E355-V359 WeakPolarHBondContact O-CB 3.33Å; E355-V359 WeakPolarHBondContact O-CG2 3.3Å; E355-V359 PolarHBondContact O-N 3.44Å
356	I	98.4	Very high	97.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.6	-46.9	-177.4	-63.3	166.9	0	0	0	110.7	F346 Y353 A358 V359 D360 L363 Y364 L367 I408	F346-I356 HydrophobicContact CD1-CG1 4.16Å; F346-I356 HydrophobicContact CE1-CD1 4.28Å; F346-I356 HydrophobicContact CE1-CG1 3.49Å; F346-I356 VanDerWaalsContact CE1-CG1 3.49Å; F346-I356 HydrophobicContact CE2-CB 4.31Å; F346-I356 HydrophobicContact CE2-CG1 3.93Å; F346-I356 HydrophobicContact CZ-CB 4.21Å; F346-I356 HydrophobicContact CZ-CD1 4.49Å; F346-I356 HydrophobicContact CZ-CG1 3.35Å; Y353-I356 HydrophobicContact CD1-CD1 3.91Å; Y353-I356 HydrophobicContact CD1-CG1 4.19Å; Y353-I356 HydrophobicContact CG-CD1 4.18Å; Y353-I356 WeakPolarHBondContact O-CD1 3.35Å; Y353-I356 VanDerWaalsContact O-CG1 3.3Å; Y353-I356 WeakPolarHBondContact O-CG1 3.25Å; I356-A358 VanDerWaalsContact C-N 3.34Å; I356-A358 PolarHBondContact O-N 3.41Å; I356-V359 PolarHBondContact O-N 2.96Å; I356-D360 CarbonylContact O-C 3.19Å; I356-D360 WeakPolarHBondContact O-CA 3.37Å; I356-D360 PolarHBondContact O-N 3.27Å; I356-D360 VanDerWaalsContact O-O 3.14Å; I356-L363 HydrophobicContact CG2-CB 4.33Å; I356-L363 HydrophobicContact CG2-CD2 3.97Å; I356-L363 HydrophobicContact CG2-CG 3.96Å; I356-Y364 HydrophobicContact CB-CD2 4.22Å; I356-Y364 HydrophobicContact CG2-CD2 4.17Å; I356-L367 HydrophobicContact CD1-CD1 4.23Å; I356-I408 HydrophobicContact CD1-CD1 4.17Å
357	E	97	Very high	97.6	Very high	115 Å²	115	35.4 Å²	35.4	54%	0.537	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-40.3	-177.5	-173.2	168.4	-154	0	0	112.8	E355 Y364	E355-E357 VanDerWaalsContact C-N 3.32Å; E355-E357 PolarHBondContact O-N 2.75Å; E357-Y364 HydrophobicContact CB-CD1 3.83Å; E357-Y364 HydrophobicContact CB-CD2 3.77Å; E357-Y364 HydrophobicContact CB-CE1 4.14Å; E357-Y364 HydrophobicContact CB-CE2 4.1Å; E357-Y364 HydrophobicContact CB-CG 3.62Å; E357-Y364 VanDerWaalsContact CD-CE1 3.46Å; E357-Y364 HydrophobicContact CG-CD1 3.69Å; E357-Y364 HydrophobicContact CG-CE1 3.98Å; E357-Y364 HydrophobicContact CG-CG 3.99Å
358	A	96.7	Very high	97.6	Very high	93 Å²	93	36.5 Å²	36.5	77%	0.769	22%	0.215	S	C	*	.	H	α-helix	trans	-72.8	-34.3	-179.1	0	0	0	0	0	112.3	E355 I356	E355-A358 PolarHBondContact O-N 2.88Å; I356-A358 VanDerWaalsContact C-N 3.34Å; I356-A358 PolarHBondContact O-N 3.41Å
359	V	97.1	Very high	97.4	Very high	32 Å²	32	44.6 Å²	44.6	19%	0.194	25%	0.245	C	C	.	.	H	α-helix	trans	-91	-47.1	-174.9	177.7	0	0	0	0	111.6	L87 Y345 F346 C351 E355 I356	L87-V359 HydrophobicContact CD1-CG1 4.46Å; L87-V359 HydrophobicContact CD2-CG1 3.49Å; L87-V359 VanDerWaalsContact CD2-CG1 3.49Å; Y345-V359 HydrophobicContact CE2-CG1 4.07Å; Y345-V359 PolarHBondContact OH-O 3.23Å; F346-V359 HydrophobicContact CD2-CB 3.77Å; F346-V359 HydrophobicContact CD2-CG1 3.67Å; F346-V359 HydrophobicContact CE2-CB 3.99Å; F346-V359 HydrophobicContact CE2-CG1 4.26Å; F346-V359 HydrophobicContact CE2-CG2 4.37Å; C351-V359 HydrophobicContact CB-CG2 4.47Å; E355-V359 HydrophobicContact CB-CG2 4.29Å; E355-V359 WeakPolarHBondContact O-CB 3.33Å; E355-V359 WeakPolarHBondContact O-CG2 3.3Å; E355-V359 PolarHBondContact O-N 3.44Å; I356-V359 PolarHBondContact O-N 2.96Å
360	D	96.6	Very high	97.3	Very high	19 Å²	19	47.4 Å²	47.4	10%	0.102	26%	0.26	C	S	.	.			trans	-136.7	81	-178.9	-172.6	-11.7	0	0	0	110.4	S344 F346 I356 S362 L363 Y364	S344-D360 PolarHBondContact OG-OD2 2.76Å; F346-D360 HydrophobicContact CB-CB 4.1Å; I356-D360 CarbonylContact O-C 3.19Å; I356-D360 WeakPolarHBondContact O-CA 3.37Å; I356-D360 PolarHBondContact O-N 3.27Å; I356-D360 VanDerWaalsContact O-O 3.14Å; D360-S362 PolarHBondContact O-N 3.44Å; D360-S362 WeakPolarHBondContact OD1-CB 3.34Å; D360-S362 PolarHBondContact OD1-N 2.93Å; D360-L363 HydrophobicContact CB-CB 3.91Å; D360-L363 WeakPolarHBondContact O-CB 3.4Å; D360-L363 PolarHBondContact O-N 3.14Å; D360-L363 VanDerWaalsContact O-N 3.14Å; D360-L363 PolarHBondContact OD1-N 3.24Å; D360-L363 WeakPolarHBondContact OD2-CB 3.31Å; D360-Y364 PolarHBondContact O-N 2.85Å
361	A	97.2	Very high	97.4	Very high	53 Å²	53	46.9 Å²	46.9	44%	0.438	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-30.4	179.5	0	0	0	0	0	113.2	Y364 Q365	A361-Y364 PolarHBondContact O-N 3.37Å; A361-Q365 WeakPolarHBondContact O-CB 3.43Å; A361-Q365 VanDerWaalsContact O-CG 3.29Å; A361-Q365 WeakPolarHBondContact O-CG 3.31Å; A361-Q365 PolarHBondContact O-N 2.94Å
362	S	97.5	Very high	97.3	Very high	88 Å²	88	47.8 Å²	47.8	62%	0.615	26%	0.261	S	S	*	.	H	α-helix	trans	-68.6	-46.6	177.6	-175.9	0	0	0	0	110.8	D360 Y364 Q365 N366	D360-S362 PolarHBondContact O-N 3.44Å; D360-S362 WeakPolarHBondContact OD1-CB 3.34Å; D360-S362 PolarHBondContact OD1-N 2.93Å; S362-Y364 VanDerWaalsContact C-N 3.33Å; S362-Y364 PolarHBondContact O-N 3.42Å; S362-Q365 PolarHBondContact O-N 2.93Å; S362-N366 PolarHBondContact O-N 2.73Å
363	L	98.2	Very high	97.3	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-44.8	173.1	175.1	62	0	0	0	111.4	F346 W347 I356 D360 Q365 N366 L367	F346-L363 HydrophobicContact CB-CD2 3.8Å; F346-L363 HydrophobicContact CD1-CD2 3.88Å; F346-L363 HydrophobicContact CG-CD2 3.96Å; W347-L363 HydrophobicContact CD2-CD2 4.39Å; W347-L363 HydrophobicContact CH2-CD1 4.42Å; W347-L363 HydrophobicContact CH2-CD2 3.93Å; W347-L363 HydrophobicContact CZ2-CD1 3.67Å; W347-L363 HydrophobicContact CZ2-CD2 3.64Å; W347-L363 HydrophobicContact CZ2-CG 4.18Å; W347-L363 HydrophobicContact CZ3-CD2 4.41Å; I356-L363 HydrophobicContact CG2-CB 4.33Å; I356-L363 HydrophobicContact CG2-CD2 3.97Å; I356-L363 HydrophobicContact CG2-CG 3.96Å; D360-L363 HydrophobicContact CB-CB 3.91Å; D360-L363 WeakPolarHBondContact O-CB 3.4Å; D360-L363 PolarHBondContact O-N 3.14Å; D360-L363 VanDerWaalsContact O-N 3.14Å; D360-L363 PolarHBondContact OD1-N 3.24Å; D360-L363 WeakPolarHBondContact OD2-CB 3.31Å; L363-Q365 VanDerWaalsContact C-N 3.34Å; L363-Q365 PolarHBondContact O-N 3.01Å; L363-N366 WeakPolarHBondContact O-CB 3.42Å; L363-N366 PolarHBondContact O-N 3.28Å; L363-L367 HydrophobicContact CD1-CD1 3.95Å; L363-L367 HydrophobicContact CD1-CG 3.99Å; L363-L367 HydrophobicContact CG-CD1 4.01Å; L363-L367 HydrophobicContact CG-CG 4.43Å; L363-L367 WeakPolarHBondContact O-CG 3.44Å; L363-L367 PolarHBondContact O-N 2.79Å
364	Y	98.4	Very high	97.4	Very high	40 Å²	40	47.3 Å²	47.3	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-46	177.6	-173	-104.6	0	0	0	111.9	I356 E357 D360 A361 S362 N366 L367 S368 I408 G409	I356-Y364 HydrophobicContact CB-CD2 4.22Å; I356-Y364 HydrophobicContact CG2-CD2 4.17Å; E357-Y364 HydrophobicContact CB-CD1 3.83Å; E357-Y364 HydrophobicContact CB-CD2 3.77Å; E357-Y364 HydrophobicContact CB-CE1 4.14Å; E357-Y364 HydrophobicContact CB-CE2 4.1Å; E357-Y364 HydrophobicContact CB-CG 3.62Å; E357-Y364 VanDerWaalsContact CD-CE1 3.46Å; E357-Y364 HydrophobicContact CG-CD1 3.69Å; E357-Y364 HydrophobicContact CG-CE1 3.98Å; E357-Y364 HydrophobicContact CG-CG 3.99Å; D360-Y364 PolarHBondContact O-N 2.85Å; A361-Y364 PolarHBondContact O-N 3.37Å; S362-Y364 VanDerWaalsContact C-N 3.33Å; S362-Y364 PolarHBondContact O-N 3.42Å; Y364-N366 VanDerWaalsContact C-N 3.35Å; Y364-N366 PolarHBondContact O-N 2.89Å; Y364-L367 PolarHBondContact O-N 3.5Å; Y364-S368 WeakPolarHBondContact O-CB 3.5Å; Y364-S368 PolarHBondContact O-N 3.16Å; Y364-S368 PolarHBondContact O-OG 3.28Å; Y364-I408 HydrophobicContact CE2-CB 4.43Å; Y364-I408 HydrophobicContact CE2-CG2 4.24Å; Y364-G409 PolarHBondContact OH-N 2.85Å; Y364-G409 VanDerWaalsContact OH-N 3.13Å
365	Q	97.9	Very high	97.5	Very high	98 Å²	98	44.3 Å²	44.3	46%	0.458	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-41.2	177.1	-74.6	-179.4	15.5	0	0	112	A361 S362 L363 S368 R369	A361-Q365 WeakPolarHBondContact O-CB 3.43Å; A361-Q365 VanDerWaalsContact O-CG 3.29Å; A361-Q365 WeakPolarHBondContact O-CG 3.31Å; A361-Q365 PolarHBondContact O-N 2.94Å; S362-Q365 PolarHBondContact O-N 2.93Å; L363-Q365 VanDerWaalsContact C-N 3.34Å; L363-Q365 PolarHBondContact O-N 3.01Å; Q365-S368 PolarHBondContact O-N 3.26Å; Q365-R369 WeakPolarHBondContact O-CB 3.3Å; Q365-R369 WeakPolarHBondContact O-CG 3.49Å; Q365-R369 PolarHBondContact O-N 3Å
366	N	97.9	Very high	97.5	Very high	35 Å²	35	41.1 Å²	41.1	19%	0.187	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-50.1	176.6	-171.6	-102.2	0	0	0	111.4	K342 S362 L363 Y364 S368 D370	K342-N366 VanDerWaalsContact NZ-CG 3.3Å; K342-N366 PolarHBondContact NZ-ND2 3.36Å; K342-N366 PolarHBondContact NZ-OD1 3.48Å; S362-N366 PolarHBondContact O-N 2.73Å; L363-N366 WeakPolarHBondContact O-CB 3.42Å; L363-N366 PolarHBondContact O-N 3.28Å; Y364-N366 VanDerWaalsContact C-N 3.35Å; Y364-N366 PolarHBondContact O-N 2.89Å; N366-S368 VanDerWaalsContact C-N 3.32Å; N366-S368 PolarHBondContact O-N 3.09Å; N366-D370 PolarHBondContact ND2-OD2 3.25Å; N366-D370 WeakPolarHBondContact O-CA 3.34Å; N366-D370 WeakPolarHBondContact O-CB 3.33Å; N366-D370 PolarHBondContact O-N 3.38Å
367	L	98.5	Very high	97.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-36.6	178.9	-66.1	174.3	0	0	0	112.1	A252 I254 W347 I356 L363 Y364 C371 I374 I408	A252-L367 HydrophobicContact CB-CD2 4.36Å; I254-L367 HydrophobicContact CD1-CD2 4.34Å; W347-L367 HydrophobicContact CH2-CD1 3.93Å; W347-L367 HydrophobicContact CZ2-CD1 4.31Å; I356-L367 HydrophobicContact CD1-CD1 4.23Å; L363-L367 HydrophobicContact CD1-CD1 3.95Å; L363-L367 HydrophobicContact CD1-CG 3.99Å; L363-L367 HydrophobicContact CG-CD1 4.01Å; L363-L367 HydrophobicContact CG-CG 4.43Å; L363-L367 WeakPolarHBondContact O-CG 3.44Å; L363-L367 PolarHBondContact O-N 2.79Å; Y364-L367 PolarHBondContact O-N 3.5Å; L367-C371 WeakPolarHBondContact O-CB 3.36Å; L367-I374 HydrophobicContact CB-CD1 4.03Å; L367-I374 HydrophobicContact CD2-CD1 4.28Å; L367-I408 HydrophobicContact CB-CG2 3.81Å
368	S	97.2	Very high	97.6	Very high	24 Å²	24	35.7 Å²	35.7	17%	0.168	20%	0.202	C	C	.	.	H	α-helix	trans	-72.5	-39.5	-178.3	-62.2	0	0	0	0	113.4	Y364 Q365 N366 G409	Y364-S368 WeakPolarHBondContact O-CB 3.5Å; Y364-S368 PolarHBondContact O-N 3.16Å; Y364-S368 PolarHBondContact O-OG 3.28Å; Q365-S368 PolarHBondContact O-N 3.26Å; N366-S368 VanDerWaalsContact C-N 3.32Å; N366-S368 PolarHBondContact O-N 3.09Å; S368-G409 VanDerWaalsContact CB-CA 3.42Å; S368-G409 WeakPolarHBondContact OG-CA 3.41Å; S368-G409 PolarHBondContact OG-N 3.38Å; S368-G409 VanDerWaalsContact OG-N 3.13Å
369	R	94.5	Very high	97.6	Very high	171 Å²	171	31.8 Å²	31.8	65%	0.645	17%	0.169	S	C	*	.	H	α-helix	trans	-100.8	-33.5	-171.2	-65.2	-178.2	178.7	170.3	1.7	113.3	R250 Q365	R250-R369 PolarHBondContact NH1-O 3.14Å; R250-R369 PolarHBondContact NH2-O 3.48Å; Q365-R369 WeakPolarHBondContact O-CB 3.3Å; Q365-R369 WeakPolarHBondContact O-CG 3.49Å; Q365-R369 PolarHBondContact O-N 3Å
370	D	95.8	Very high	97.6	Very high	58 Å²	58	30.6 Å²	30.6	31%	0.31	16%	0.161	S	C	.	.	H	α-helix	trans	-99.5	-5.2	-170.8	-56.3	-27.8	0	0	0	113	R250 Y280 N366	R250-D370 WeakPolarHBondContact CB-O 3.45Å; R250-D370 WeakPolarHBondContact CD-O 3.42Å; R250-D370 PolarHBondContact NE-O 3.09Å; Y280-D370 PolarHBondContact OH-O 2.81Å; N366-D370 PolarHBondContact ND2-OD2 3.25Å; N366-D370 WeakPolarHBondContact O-CA 3.34Å; N366-D370 WeakPolarHBondContact O-CB 3.33Å; N366-D370 PolarHBondContact O-N 3.38Å
371	C	97.5	Very high	97.7	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	16%	0.157	C	C	.	.			trans	-119.3	141.4	-178.8	-51.5	0	0	0	0	111	R250 A252 L367 I374	R250-C371 WeakPolarHBondContact O-CA 3.21Å; A252-C371 HydrophobicContact CB-CB 4.46Å; L367-C371 WeakPolarHBondContact O-CB 3.36Å; C371-I374 HydrophobicContact CB-CD1 4.29Å; C371-I374 HydrophobicContact CB-CG1 3.83Å
372	D	97.1	Very high	97.8	Very high	23 Å²	23	27.3 Å²	27.3	12%	0.123	14%	0.136	C	C	.	.	S	Bend	trans	-107.4	-24.8	171	-54.2	-51	0	0	0	110.8	F236 H247 L249 R250 P436 M437	F236-D372 HydrophobicContact CE2-CB 4.05Å; F236-D372 HydrophobicContact CZ-CB 4.13Å; H247-D372 IonicContact CE1-OD2 3.41Å; H247-D372 IonicContact NE2-OD2 2.92Å; H247-D372 PolarHBondContact NE2-OD2 3.26Å; H247-D372 VanDerWaalsContact NE2-OD2 3.15Å; L249-D372 HydrophobicContact CD2-CB 3.58Å; R250-D372 WeakPolarHBondContact CB-OD2 3.49Å; R250-D372 WeakPolarHBondContact CG-OD2 3.39Å; R250-D372 IonicContact CZ-OD1 2.71Å; R250-D372 IonicContact CZ-OD2 3.52Å; R250-D372 PolarHBondContact N-OD2 2.74Å; R250-D372 IonicContact NE-OD1 3.47Å; R250-D372 PolarHBondContact NE-OD1 3.2Å; R250-D372 IonicContact NE-OD2 2.88Å; R250-D372 PolarHBondContact NE-OD2 2.78Å; R250-D372 IonicContact NH2-OD1 2.85Å; R250-D372 PolarHBondContact NH2-OD1 3.42Å; R250-D372 IonicContact NH2-OD2 3.74Å; R250-D372 PolarHBondContact O-N 2.59Å; D372-P436 WeakPolarHBondContact O-CA 3.39Å; D372-M437 PolarHBondContact O-N 3.05Å
373	L	98.5	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.8	175.3	174	60.3	0	0	0	109.9	L229 F232 R250 V251 A252 F272 I375 M437 V439	L229-L373 HydrophobicContact CD1-CD1 3.82Å; L229-L373 HydrophobicContact CD1-CD2 4.38Å; F232-L373 HydrophobicContact CE1-CB 4.35Å; R250-L373 PolarHBondContact O-N 2.85Å; V251-L373 CarbonylContact C-O 3.49Å; V251-L373 WeakPolarHBondContact CA-O 3.48Å; V251-L373 HydrophobicContact CG1-CD2 4.29Å; V251-L373 HydrophobicContact CG1-CG 4.32Å; V251-L373 HydrophobicContact CG2-CB 4.36Å; V251-L373 HydrophobicContact CG2-CD2 4.33Å; A252-L373 PolarHBondContact N-O 2.85Å; F272-L373 HydrophobicContact CZ-CD2 4.22Å; L373-I375 HydrophobicContact CD1-CG1 4.24Å; L373-I375 HydrophobicContact CD2-CD1 4.17Å; L373-I375 HydrophobicContact CD2-CG1 4.38Å; L373-I375 HydrophobicContact CG-CD1 4.41Å; L373-I375 HydrophobicContact CG-CG1 4.1Å; L373-M437 CarbonylContact C-O 2.96Å; L373-M437 WeakPolarHBondContact CA-O 3.45Å; L373-M437 HydrophobicContact CD1-CB 4.02Å; L373-M437 HydrophobicContact CD1-CG 4.04Å; L373-V439 HydrophobicContact CD1-CG2 3.74Å
374	I	98.9	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.7	176.1	-54.1	170.8	0	0	0	108.1	A252 I254 L367 C371 F376 I408 P436 M437 V438 V439	A252-I374 HydrophobicContact CB-CG1 4.32Å; A252-I374 HydrophobicContact CB-CG2 4.37Å; A252-I374 CarbonylContact O-C 3.5Å; A252-I374 WeakPolarHBondContact O-CA 3.34Å; I254-I374 HydrophobicContact CD1-CG2 4.29Å; I254-I374 HydrophobicContact CG1-CG2 3.98Å; L367-I374 HydrophobicContact CB-CD1 4.03Å; L367-I374 HydrophobicContact CD2-CD1 4.28Å; C371-I374 HydrophobicContact CB-CD1 4.29Å; C371-I374 HydrophobicContact CB-CG1 3.83Å; I374-F376 HydrophobicContact CB-CE2 4.49Å; I374-F376 HydrophobicContact CG2-CD2 4.01Å; I374-F376 HydrophobicContact CG2-CE2 3.54Å; I374-F376 HydrophobicContact CG2-CZ 4.01Å; I374-I408 HydrophobicContact CD1-CD1 4.13Å; I374-I408 HydrophobicContact CD1-CG2 4.11Å; I374-P436 HydrophobicContact CD1-CB 3.88Å; I374-P436 HydrophobicContact CD1-CG 3.73Å; I374-P436 HydrophobicContact CG1-CB 4.02Å; I374-P436 HydrophobicContact CG1-CG 4.43Å; I374-M437 PolarHBondContact N-O 3.25Å; I374-V438 HydrophobicContact CD1-CG2 4.48Å; I374-V438 CarbonylContact O-C 3.52Å; I374-V438 WeakPolarHBondContact O-CA 3.48Å; I374-V439 PolarHBondContact O-N 2.92Å
375	I	98.9	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114.5	178.6	-59.7	171.2	0	0	0	108.3	V251 A252 I253 I254 L268 F272 L373 K377 V439 L441	V251-I375 HydrophobicContact CG1-CD1 4.37Å; A252-I375 PolarHBondContact O-N 2.98Å; I253-I375 CarbonylContact C-O 3.57Å; I253-I375 WeakPolarHBondContact CA-O 3.35Å; I253-I375 HydrophobicContact CG1-CB 4.5Å; I254-I375 PolarHBondContact N-O 3.14Å; L268-I375 HydrophobicContact CD2-CD1 4.32Å; F272-I375 HydrophobicContact CE2-CD1 4.11Å; F272-I375 HydrophobicContact CZ-CD1 4.41Å; L373-I375 HydrophobicContact CD1-CG1 4.24Å; L373-I375 HydrophobicContact CD2-CD1 4.17Å; L373-I375 HydrophobicContact CD2-CG1 4.38Å; L373-I375 HydrophobicContact CG-CD1 4.41Å; L373-I375 HydrophobicContact CG-CG1 4.1Å; I375-K377 HydrophobicContact CG2-CD 4.25Å; I375-V439 CarbonylContact C-O 3.56Å; I375-V439 WeakPolarHBondContact CA-O 3.36Å; I375-V439 HydrophobicContact CG1-CB 4.37Å; I375-L441 HydrophobicContact CG2-CD1 3.61Å; I375-L441 HydrophobicContact CG2-CG 3.79Å
376	F	98.9	Very high	97.8	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.6	171.2	-71.9	-86.9	0	0	0	110.1	I254 W347 Y353 I374 N381 L385 I408 V438 V439 A440 L441	I254-F376 HydrophobicContact CB-CD1 3.63Å; I254-F376 HydrophobicContact CB-CE1 3.97Å; I254-F376 HydrophobicContact CB-CG 4.32Å; I254-F376 HydrophobicContact CG1-CD1 3.61Å; I254-F376 HydrophobicContact CG1-CE1 3.53Å; I254-F376 HydrophobicContact CG1-CG 4.2Å; I254-F376 HydrophobicContact CG1-CZ 4.03Å; I254-F376 HydrophobicContact CG2-CD1 3.87Å; I254-F376 HydrophobicContact CG2-CE1 4.01Å; W347-F376 HydrophobicContact CH2-CE1 4.43Å; W347-F376 HydrophobicContact CZ3-CE1 4.23Å; Y353-F376 HydrophobicContact CD1-CE1 4.23Å; Y353-F376 AromaticContact CD2-CD1 3.98Å; Y353-F376 HydrophobicContact CD2-CD1 3.98Å; Y353-F376 AromaticContact CD2-CE1 3.55Å; Y353-F376 HydrophobicContact CD2-CE1 3.55Å; Y353-F376 AromaticContact CD2-CZ 3.87Å; Y353-F376 HydrophobicContact CD2-CZ 3.87Å; Y353-F376 AromaticContact CE1-CE1 3.89Å; Y353-F376 HydrophobicContact CE1-CE1 3.89Å; Y353-F376 AromaticContact CE2-CD1 3.2Å; Y353-F376 HydrophobicContact CE2-CD1 3.2Å; Y353-F376 AromaticContact CE2-CE1 3.11Å; Y353-F376 HydrophobicContact CE2-CE1 3.11Å; Y353-F376 HydrophobicContact CE2-CG 4.04Å; Y353-F376 AromaticContact CE2-CZ 3.9Å; Y353-F376 HydrophobicContact CE2-CZ 3.9Å; Y353-F376 HydrophobicContact CG-CE1 4.08Å; Y353-F376 HydrophobicContact CG-CZ 4.25Å; Y353-F376 AromaticContact CZ-CD1 3.53Å; Y353-F376 AromaticContact CZ-CE1 3.28Å; Y353-F376 WeakPolarHBondContact OH-CD1 3.45Å; I374-F376 HydrophobicContact CB-CE2 4.49Å; I374-F376 HydrophobicContact CG2-CD2 4.01Å; I374-F376 HydrophobicContact CG2-CE2 3.54Å; I374-F376 HydrophobicContact CG2-CZ 4.01Å; F376-N381 HydrophobicContact CB-CB 4.11Å; F376-N381 HydrophobicContact CD1-CB 4.1Å; F376-L385 HydrophobicContact CB-CD1 3.78Å; F376-L385 HydrophobicContact CD2-CD1 4.07Å; F376-L385 HydrophobicContact CD2-CD2 3.85Å; F376-L385 HydrophobicContact CD2-CG 4.34Å; F376-L385 HydrophobicContact CE2-CD2 3.93Å; F376-L385 HydrophobicContact CG-CD1 3.97Å; F376-L385 HydrophobicContact CG-CD2 4.29Å; F376-L385 HydrophobicContact CG-CG 4.31Å; F376-L385 HydrophobicContact CZ-CD2 4.42Å; F376-I408 HydrophobicContact CE2-CD1 4.37Å; F376-I408 HydrophobicContact CZ-CD1 4.22Å; F376-V438 HydrophobicContact CD2-CG1 3.73Å; F376-V438 HydrophobicContact CE2-CG1 3.6Å; F376-V439 PolarHBondContact N-O 3.27Å; F376-A440 WeakPolarHBondContact O-CA 3.2Å; F376-L441 PolarHBondContact O-N 2.96Å
377	K	98.6	Very high	97.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.5	-179.1	-68.9	-64.8	-57.2	170.3	0	112.1	S186 I253 I254 D256 E261 D265 I375 N381 L441	S186-K377 PolarHBondContact O-NZ 3.49Å; S186-K377 WeakPolarHBondContact OG-CE 3.39Å; S186-K377 PolarHBondContact OG-NZ 2.99Å; I253-K377 HydrophobicContact CG2-CD 4.5Å; I253-K377 HydrophobicContact CG2-CG 3.81Å; I254-K377 VanDerWaalsContact O-CB 3.28Å; I254-K377 WeakPolarHBondContact O-CB 3.3Å; I254-K377 PolarHBondContact O-N 3.11Å; D256-K377 HydrophobicContact CB-CB 3.99Å; D256-K377 WeakPolarHBondContact CB-O 3.18Å; E261-K377 VanDerWaalsContact OE1-CE 3.23Å; E261-K377 WeakPolarHBondContact OE1-CE 3.47Å; E261-K377 IonicContact OE1-NZ 3.75Å; D265-K377 WeakPolarHBondContact OD1-CE 3.31Å; D265-K377 IonicContact OD1-NZ 3.15Å; I375-K377 HydrophobicContact CG2-CD 4.25Å; K377-N381 VanDerWaalsContact O-CB 3.26Å; K377-N381 WeakPolarHBondContact O-CB 3.37Å; K377-N381 PolarHBondContact O-ND2 3.46Å; K377-L441 CarbonylContact C-O 3.5Å; K377-L441 HydrophobicContact CD-CB 4.19Å; K377-L441 HydrophobicContact CD-CD1 4.19Å
378	G	97.6	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	76.5	179.3	161.6	0	0	0	0	0	116.7	N190 D256 Y382 L441	N190-G378 WeakPolarHBondContact ND2-CA 3.2Å; D256-G378 WeakPolarHBondContact OD2-CA 3.38Å; G378-Y382 WeakPolarHBondContact O-CB 3.43Å; G378-Y382 PolarHBondContact O-N 3.25Å; G378-Y382 VanDerWaalsContact O-N 3.14Å; G378-L441 PolarHBondContact N-O 3.09Å
379	D	96.5	Very high	97.8	Very high	12 Å²	12	15.7 Å²	15.7	6%	0.064	7%	0.068	C	C	.	.	H	α-helix	trans	-70.6	-45.7	-166.2	-168.2	75.1	0	0	0	113	N381 Y382 R383 R442 K445 S446	D379-N381 PolarHBondContact O-N 2.98Å; D379-Y382 WeakPolarHBondContact O-CB 3.42Å; D379-Y382 PolarHBondContact O-N 2.94Å; D379-R383 VanDerWaalsContact O-CG 3.28Å; D379-R383 WeakPolarHBondContact O-CG 3.36Å; D379-R383 PolarHBondContact O-N 3.34Å; D379-R383 WeakPolarHBondContact OD2-CD 3.47Å; D379-R442 IonicContact OD1-CZ 3.81Å; D379-R442 VanDerWaalsContact OD1-CZ 3.22Å; D379-R442 IonicContact OD1-NE 2.68Å; D379-R442 PolarHBondContact OD1-NE 3Å; D379-R442 IonicContact OD1-NH2 2.96Å; D379-R442 PolarHBondContact OD1-NH2 3.15Å; D379-K445 HydrophobicContact CB-CB 4.18Å; D379-K445 HydrophobicContact CB-CD 4.36Å; D379-K445 PolarHBondContact OD1-N 3.42Å; D379-S446 PolarHBondContact OD1-N 3.35Å; D379-S446 PolarHBondContact OD1-OG 3.42Å; D379-S446 VanDerWaalsContact OD2-CB 3.29Å; D379-S446 WeakPolarHBondContact OD2-CB 3.48Å; D379-S446 PolarHBondContact OD2-OG 2.9Å
380	L	97.7	Very high	97.9	Very high	7 Å²	7	11.3 Å²	11.3	4%	0.037	6%	0.055	C	C	.	.	H	α-helix	trans	-61.7	-46.2	-179.1	178.6	63.4	0	0	0	111.7	L120 F291 Y382 R383 K384	L120-L380 HydrophobicContact CD1-CD1 3.63Å; F291-L380 HydrophobicContact CD2-CD2 3.84Å; F291-L380 HydrophobicContact CE1-CD1 4.32Å; F291-L380 HydrophobicContact CE1-CD2 4.41Å; F291-L380 HydrophobicContact CE2-CD1 4.14Å; F291-L380 HydrophobicContact CE2-CD2 3.54Å; F291-L380 HydrophobicContact CE2-CG 4.49Å; F291-L380 HydrophobicContact CG-CD2 4.41Å; F291-L380 HydrophobicContact CZ-CD1 3.7Å; F291-L380 HydrophobicContact CZ-CD2 3.85Å; F291-L380 HydrophobicContact CZ-CG 4.37Å; L380-Y382 VanDerWaalsContact C-N 3.32Å; L380-Y382 PolarHBondContact O-N 3.01Å; L380-R383 PolarHBondContact O-N 2.77Å; L380-K384 WeakPolarHBondContact O-CG 3.31Å; L380-K384 PolarHBondContact O-N 3.47Å
381	N	98.6	Very high	97.9	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-66.8	-36.9	179.2	-63.2	-33.4	0	0	0	110.5	I254 L255 Y353 F376 K377 D379 K384 L385	I254-N381 PolarHBondContact O-ND2 3.28Å; L255-N381 PolarHBondContact O-ND2 3.26Å; Y353-N381 HydrophobicContact CE2-CB 4.2Å; Y353-N381 WeakPolarHBondContact CE2-O 3.29Å; Y353-N381 WeakPolarHBondContact OH-CA 3.28Å; Y353-N381 VanDerWaalsContact OH-CB 3.23Å; Y353-N381 WeakPolarHBondContact OH-CB 3.26Å; Y353-N381 PolarHBondContact OH-OD1 3.5Å; F376-N381 HydrophobicContact CB-CB 4.11Å; F376-N381 HydrophobicContact CD1-CB 4.1Å; K377-N381 VanDerWaalsContact O-CB 3.26Å; K377-N381 WeakPolarHBondContact O-CB 3.37Å; K377-N381 PolarHBondContact O-ND2 3.46Å; D379-N381 PolarHBondContact O-N 2.98Å; N381-K384 PolarHBondContact O-N 3.35Å; N381-L385 WeakPolarHBondContact O-CG 3.4Å; N381-L385 PolarHBondContact O-N 3.03Å
382	Y	98.6	Very high	97.9	Very high	2 Å²	2	15 Å²	15	1%	0.008	7%	0.068	C	C	.	.	H	α-helix	trans	-61	-46.6	173.1	-171.6	-83.7	0	0	0	112.3	G378 D379 L380 K384 L385 V386 A440 R442 V448 V450 Q477	G378-Y382 WeakPolarHBondContact O-CB 3.43Å; G378-Y382 PolarHBondContact O-N 3.25Å; G378-Y382 VanDerWaalsContact O-N 3.14Å; D379-Y382 WeakPolarHBondContact O-CB 3.42Å; D379-Y382 PolarHBondContact O-N 2.94Å; L380-Y382 VanDerWaalsContact C-N 3.32Å; L380-Y382 PolarHBondContact O-N 3.01Å; Y382-K384 VanDerWaalsContact C-N 3.25Å; Y382-K384 PolarHBondContact O-N 3.48Å; Y382-L385 WeakPolarHBondContact O-CB 3.34Å; Y382-L385 PolarHBondContact O-N 2.79Å; Y382-V386 HydrophobicContact CD1-CG1 4.35Å; Y382-V386 HydrophobicContact CD1-CG2 4.22Å; Y382-V386 HydrophobicContact CE1-CG1 3.84Å; Y382-V386 HydrophobicContact CE1-CG2 4.12Å; Y382-V386 WeakPolarHBondContact O-CG2 3.37Å; Y382-V386 PolarHBondContact O-N 3.22Å; Y382-V386 VanDerWaalsContact O-N 3.1Å; Y382-A440 HydrophobicContact CD2-CB 3.77Å; Y382-A440 HydrophobicContact CE2-CB 4.22Å; Y382-R442 HydrophobicContact CD2-CB 3.84Å; Y382-R442 HydrophobicContact CD2-CG 4.08Å; Y382-R442 HydrophobicContact CG-CB 4.14Å; Y382-R442 VanDerWaalsContact CG-CD 3.46Å; Y382-R442 HydrophobicContact CG-CG 3.87Å; Y382-V448 HydrophobicContact CD1-CG1 4.45Å; Y382-V450 PolarHBondContact OH-N 3.01Å; Y382-Q477 PolarHBondContact OH-OE1 3.07Å
383	R	98.3	Very high	97.9	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.011	6%	0.064	C	C	.	.	H	α-helix	trans	-58.8	-38.2	176.5	-69.9	168.7	65.6	-163.5	-10.9	111.9	E123 D379 L380 G387 D388 S446 V448	E123-R383 IonicContact OE1-NH1 2.64Å; E123-R383 IonicContact OE2-CZ 3.98Å; E123-R383 VanDerWaalsContact OE2-CZ 3.24Å; E123-R383 IonicContact OE2-NH1 3.49Å; E123-R383 PolarHBondContact OE2-NH1 3.42Å; E123-R383 IonicContact OE2-NH2 2.81Å; E123-R383 PolarHBondContact OE2-NH2 2.96Å; D379-R383 VanDerWaalsContact O-CG 3.28Å; D379-R383 WeakPolarHBondContact O-CG 3.36Å; D379-R383 PolarHBondContact O-N 3.34Å; D379-R383 WeakPolarHBondContact OD2-CD 3.47Å; L380-R383 PolarHBondContact O-N 2.77Å; R383-G387 CarbonylContact O-C 3.52Å; R383-G387 VanDerWaalsContact O-CA 3.28Å; R383-G387 WeakPolarHBondContact O-CA 3.45Å; R383-G387 PolarHBondContact O-N 3.41Å; R383-D388 HydrophobicContact CB-CB 4.4Å; R383-D388 WeakPolarHBondContact CG-OD1 3.44Å; R383-D388 IonicContact CZ-OD1 2.73Å; R383-D388 IonicContact CZ-OD2 3.87Å; R383-D388 IonicContact NE-OD1 2.71Å; R383-D388 PolarHBondContact NE-OD1 2.96Å; R383-D388 IonicContact NE-OD2 3.43Å; R383-D388 IonicContact NH2-OD1 3.09Å; R383-D388 IonicContact NH2-OD2 2.97Å; R383-D388 PolarHBondContact NH2-OD2 2.94Å; R383-D388 PolarHBondContact O-N 3.43Å; R383-S446 VanDerWaalsContact CD-OG 3.3Å; R383-S446 WeakPolarHBondContact CD-OG 3.46Å; R383-V448 HydrophobicContact CG-CG1 3.62Å
384	K	98.6	Very high	97.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.6	-33.7	173.6	-73.8	-176.4	172.6	-164.3	0	113.9	L120 W347 T349 T352 Y353 L380 N381 Y382	L120-K384 HydrophobicContact CD1-CG 4.39Å; L120-K384 HydrophobicContact CD2-CG 4.06Å; W347-K384 PolarHBondContact O-NZ 3.22Å; T349-K384 WeakPolarHBondContact O-CE 3.23Å; T349-K384 PolarHBondContact O-NZ 3.42Å; T352-K384 WeakPolarHBondContact CB-O 3.34Å; Y353-K384 HydrophobicContact CD1-CB 4.22Å; Y353-K384 HydrophobicContact CD2-CB 3.92Å; Y353-K384 HydrophobicContact CE1-CB 3.93Å; Y353-K384 HydrophobicContact CE1-CD 3.84Å; Y353-K384 HydrophobicContact CE2-CB 3.64Å; Y353-K384 HydrophobicContact CG-CB 4.22Å; Y353-K384 PolarHBondContact N-O 3.26Å; Y353-K384 VanDerWaalsContact N-O 3.13Å; L380-K384 WeakPolarHBondContact O-CG 3.31Å; L380-K384 PolarHBondContact O-N 3.47Å; N381-K384 PolarHBondContact O-N 3.35Å; Y382-K384 VanDerWaalsContact C-N 3.25Å; Y382-K384 PolarHBondContact O-N 3.48Å
385	L	98.5	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-46.1	173.7	-76.4	163.1	0	0	0	111.4	Y353 F376 N381 Y382 V406 V438 A440 V479	Y353-L385 HydrophobicContact CD2-CB 4.21Å; Y353-L385 HydrophobicContact CD2-CD2 3.53Å; Y353-L385 HydrophobicContact CD2-CG 3.51Å; Y353-L385 HydrophobicContact CE2-CD2 4.17Å; Y353-L385 HydrophobicContact CE2-CG 3.78Å; F376-L385 HydrophobicContact CB-CD1 3.78Å; F376-L385 HydrophobicContact CD2-CD1 4.07Å; F376-L385 HydrophobicContact CD2-CD2 3.85Å; F376-L385 HydrophobicContact CD2-CG 4.34Å; F376-L385 HydrophobicContact CE2-CD2 3.93Å; F376-L385 HydrophobicContact CG-CD1 3.97Å; F376-L385 HydrophobicContact CG-CD2 4.29Å; F376-L385 HydrophobicContact CG-CG 4.31Å; F376-L385 HydrophobicContact CZ-CD2 4.42Å; N381-L385 WeakPolarHBondContact O-CG 3.4Å; N381-L385 PolarHBondContact O-N 3.03Å; Y382-L385 WeakPolarHBondContact O-CB 3.34Å; Y382-L385 PolarHBondContact O-N 2.79Å; L385-V406 HydrophobicContact CD2-CB 4.44Å; L385-V406 HydrophobicContact CD2-CG1 3.95Å; L385-V406 HydrophobicContact CD2-CG2 4.21Å; L385-V406 WeakPolarHBondContact O-CG2 3.03Å; L385-V438 HydrophobicContact CD2-CG1 4.17Å; L385-A440 HydrophobicContact CD1-CB 3.62Å; L385-V479 HydrophobicContact CD1-CG2 4.15Å; L385-V479 HydrophobicContact CD2-CG1 4.3Å
386	V	97.7	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-92.4	-6.2	-175.8	-54.5	0	0	0	0	113	Y382 W391 A402 F403 R405 V448 V450	Y382-V386 HydrophobicContact CD1-CG1 4.35Å; Y382-V386 HydrophobicContact CD1-CG2 4.22Å; Y382-V386 HydrophobicContact CE1-CG1 3.84Å; Y382-V386 HydrophobicContact CE1-CG2 4.12Å; Y382-V386 WeakPolarHBondContact O-CG2 3.37Å; Y382-V386 PolarHBondContact O-N 3.22Å; Y382-V386 VanDerWaalsContact O-N 3.1Å; V386-W391 WeakPolarHBondContact O-CZ2 3.27Å; V386-W391 PolarHBondContact O-NE1 2.74Å; V386-A402 HydrophobicContact CB-CB 4.21Å; V386-A402 HydrophobicContact CG1-CB 4.29Å; V386-F403 HydrophobicContact CG1-CD1 4.45Å; V386-F403 HydrophobicContact CG1-CE1 4.04Å; V386-R405 PolarHBondContact O-NH1 2.99Å; V386-V448 HydrophobicContact CG2-CG1 4.35Å; V386-V448 HydrophobicContact CG2-CG2 3.58Å; V386-V450 HydrophobicContact CG1-CG2 4.19Å
387	G	97	Very high	97.4	Very high	2 Å²	2	27 Å²	27	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	24.6	179.8	0	0	0	0	0	117.1	R383 R389	R383-G387 CarbonylContact O-C 3.52Å; R383-G387 VanDerWaalsContact O-CA 3.28Å; R383-G387 WeakPolarHBondContact O-CA 3.45Å; R383-G387 PolarHBondContact O-N 3.41Å; G387-R389 WeakPolarHBondContact O-CG 3.45Å
388	D	97.6	Very high	97.3	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	52.6	59.7	170	-148.9	49.1	0	0	0	113.7	K5 L6 L120 R383	K5-D388 WeakPolarHBondContact CA-O 3.22Å; L6-D388 PolarHBondContact N-O 2.84Å; L120-D388 HydrophobicContact CB-CB 3.82Å; L120-D388 VanDerWaalsContact CB-OD2 3.3Å; L120-D388 WeakPolarHBondContact CB-OD2 3.39Å; L120-D388 HydrophobicContact CD2-CB 4.09Å; L120-D388 PolarHBondContact N-OD2 3.31Å; L120-D388 VanDerWaalsContact N-OD2 3.11Å; R383-D388 HydrophobicContact CB-CB 4.4Å; R383-D388 WeakPolarHBondContact CG-OD1 3.44Å; R383-D388 IonicContact CZ-OD1 2.73Å; R383-D388 IonicContact CZ-OD2 3.87Å; R383-D388 IonicContact NE-OD1 2.71Å; R383-D388 PolarHBondContact NE-OD1 2.96Å; R383-D388 IonicContact NE-OD2 3.43Å; R383-D388 IonicContact NH2-OD1 3.09Å; R383-D388 IonicContact NH2-OD2 2.97Å; R383-D388 PolarHBondContact NH2-OD2 2.94Å; R383-D388 PolarHBondContact O-N 3.43Å
389	R	97.7	Very high	97.3	Very high	43 Å²	43	29.2 Å²	29.2	16%	0.162	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-122.6	162.8	-176.9	-59.7	175.3	174.2	-85.3	-1.2	111.4	P3 P4 K5 G387 W391 V448	P3-R389 HydrophobicContact CG-CB 4.06Å; P3-R389 WeakPolarHBondContact O-CD 3.26Å; P3-R389 PolarHBondContact O-NH1 3.44Å; P4-R389 VanDerWaalsContact O-CA 3.31Å; P4-R389 WeakPolarHBondContact O-CA 3.35Å; P4-R389 WeakPolarHBondContact O-CB 3.39Å; K5-R389 HydrophobicContact CG-CG 4.23Å; G387-R389 WeakPolarHBondContact O-CG 3.45Å; R389-W391 HydrophobicContact CB-CD2 4.32Å; R389-W391 HydrophobicContact CB-CG 4.42Å; R389-W391 HydrophobicContact CB-CZ2 4.36Å; R389-W391 HydrophobicContact CG-CZ2 4.46Å; R389-W391 PolarHBondContact O-N 3.2Å; R389-V448 WeakPolarHBondContact O-CG2 3.45Å
390	Q	96.8	Very high	97.2	Very high	79 Å²	79	29.3 Å²	29.3	37%	0.369	14%	0.143	S	C	.	.			trans	-72.2	56.7	174.1	-66	-169.4	-57.6	0	0	112.4	P3 P4 L6 N10	P3-Q390 HydrophobicContact CB-CB 4.39Å; P3-Q390 VanDerWaalsContact CB-O 3.3Å; P3-Q390 WeakPolarHBondContact CB-O 3.5Å; P4-Q390 HydrophobicContact CG-CB 4.39Å; P4-Q390 HydrophobicContact CG-CG 4.42Å; P4-Q390 PolarHBondContact O-N 3.26Å; L6-Q390 HydrophobicContact CD2-CB 4.45Å; L6-Q390 HydrophobicContact CD2-CG 3.46Å; L6-Q390 VanDerWaalsContact CD2-CG 3.46Å; N10-Q390 VanDerWaalsContact ND2-CD 3.31Å; N10-Q390 PolarHBondContact ND2-OE1 3.1Å; N10-Q390 PolarHBondContact O-NE2 2.93Å
391	W	97	Very high	97.1	Very high	6 Å²	6	32.3 Å²	32.3	2%	0.023	16%	0.159	C	C	.	.			trans	-64.8	145.2	172.7	-57.9	114.7	0	0	0	110.7	F2 P3 V386 R389 P393 D398 N401 A402 V450	F2-W391 AromaticContact CD1-CH2 3.64Å; F2-W391 HydrophobicContact CD1-CH2 3.64Å; F2-W391 HydrophobicContact CD1-CZ3 4.22Å; F2-W391 HydrophobicContact CE1-CH2 4.28Å; F2-W391 HydrophobicContact CG-CH2 4.44Å; P3-W391 HydrophobicContact CG-CD2 3.68Å; P3-W391 HydrophobicContact CG-CE3 3.25Å; P3-W391 HydrophobicContact CG-CG 4.36Å; P3-W391 HydrophobicContact CG-CH2 4.22Å; P3-W391 HydrophobicContact CG-CZ3 3.57Å; V386-W391 WeakPolarHBondContact O-CZ2 3.27Å; V386-W391 PolarHBondContact O-NE1 2.74Å; R389-W391 HydrophobicContact CB-CD2 4.32Å; R389-W391 HydrophobicContact CB-CG 4.42Å; R389-W391 HydrophobicContact CB-CZ2 4.36Å; R389-W391 HydrophobicContact CG-CZ2 4.46Å; R389-W391 PolarHBondContact O-N 3.2Å; W391-P393 WeakPolarHBondContact O-CD 3.32Å; W391-D398 HydrophobicContact CB-CB 4.49Å; W391-D398 HydrophobicContact CE3-CB 3.69Å; W391-D398 HydrophobicContact CZ3-CB 4.34Å; W391-N401 HydrophobicContact CH2-CB 4.14Å; W391-N401 HydrophobicContact CZ3-CB 3.99Å; W391-A402 HydrophobicContact CD2-CB 4.18Å; W391-A402 HydrophobicContact CH2-CB 4.15Å; W391-A402 HydrophobicContact CZ2-CB 3.74Å; W391-V450 HydrophobicContact CB-CG1 3.46Å; W391-V450 VanDerWaalsContact CB-CG1 3.46Å; W391-V450 HydrophobicContact CD2-CG1 4.26Å; W391-V450 HydrophobicContact CG-CG1 3.68Å
392	K	96.9	Very high	97	Very high	131 Å²	131	32.2 Å²	32.2	57%	0.57	16%	0.159	S	C	*	.			trans	-82.7	118.1	168.3	-67.3	-179.2	-179.5	-178.6	0	109.1	D394 N395 D398	K392-D394 VanDerWaalsContact C-N 3.25Å; K392-D394 PolarHBondContact O-N 2.99Å; K392-N395 HydrophobicContact CB-CB 3.61Å; K392-N395 HydrophobicContact CD-CB 4.43Å; K392-N395 PolarHBondContact O-N 3.48Å; K392-N395 VanDerWaalsContact O-N 3.14Å; K392-D398 WeakPolarHBondContact CB-OD2 3.44Å; K392-D398 PolarHBondContact N-OD2 3.16Å
393	P	97.1	Very high	96.9	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.039	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-32.8	-171.8	-29.5	38.3	0	0	0	115.1	W391 G449 V450 G451 V452 F457 W467 W468	W391-P393 WeakPolarHBondContact O-CD 3.32Å; P393-G449 WeakPolarHBondContact CA-O 3.49Å; P393-V450 CarbonylContact O-C 3.59Å; P393-G451 PolarHBondContact O-N 3.41Å; P393-V452 HydrophobicContact CB-CB 4.28Å; P393-V452 HydrophobicContact CB-CG2 3.92Å; P393-V452 PolarHBondContact O-N 3.26Å; P393-F457 HydrophobicContact CB-CD2 3.91Å; P393-F457 HydrophobicContact CB-CE2 3.91Å; P393-F457 HydrophobicContact CG-CD2 4.27Å; P393-F457 HydrophobicContact CG-CE2 3.75Å; P393-F457 HydrophobicContact CG-CZ 4.44Å; P393-W467 HydrophobicContact CB-CZ2 4.34Å; P393-W467 HydrophobicContact CG-CZ2 4.32Å; P393-W468 HydrophobicContact CG-CE3 4.01Å; P393-W468 HydrophobicContact CG-CH2 4.27Å; P393-W468 HydrophobicContact CG-CZ3 3.52Å
394	D	97.3	Very high	96.6	Very high	45 Å²	45	36.7 Å²	36.7	24%	0.241	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	0.9	-177.2	65.1	-24.6	0	0	0	114.4	K392 V452 H454 F457	K392-D394 VanDerWaalsContact C-N 3.25Å; K392-D394 PolarHBondContact O-N 2.99Å; D394-V452 VanDerWaalsContact CA-O 3.3Å; D394-V452 WeakPolarHBondContact CA-O 3.38Å; D394-H454 HydrophobicContact CB-CB 4.39Å; D394-H454 IonicContact OD2-CE1 3.92Å; D394-H454 PolarHBondContact OD2-CE1 3.37Å; D394-H454 IonicContact OD2-CG 2.75Å; D394-H454 IonicContact OD2-ND1 3.79Å; D394-H454 PolarHBondContact OD2-ND1 2.84Å; D394-F457 HydrophobicContact CB-CB 3.91Å; D394-F457 HydrophobicContact CB-CD1 3.93Å; D394-F457 HydrophobicContact CB-CG 3.98Å; D394-F457 WeakPolarHBondContact OD2-CD1 3.47Å
395	N	96.7	Very high	96.3	Very high	53 Å²	53	38.8 Å²	38.8	28%	0.283	19%	0.188	S	C	.	.			trans	-88.5	121.7	-179.3	-175.4	-83.6	0	0	0	111.2	K392 D397 D398 K399	K392-N395 HydrophobicContact CB-CB 3.61Å; K392-N395 HydrophobicContact CD-CB 4.43Å; K392-N395 PolarHBondContact O-N 3.48Å; K392-N395 VanDerWaalsContact O-N 3.14Å; N395-D397 WeakPolarHBondContact OD1-CA 3.43Å; N395-D397 WeakPolarHBondContact OD1-CB 3.48Å; N395-D397 PolarHBondContact OD1-N 3.32Å; N395-D398 HydrophobicContact CB-CB 4.04Å; N395-D398 PolarHBondContact O-N 2.93Å; N395-D398 PolarHBondContact OD1-N 3.23Å; N395-K399 PolarHBondContact O-N 3.21Å
396	L	95.5	Very high	96	Very high	75 Å²	75	38.9 Å²	38.9	39%	0.393	19%	0.188	S	C	.	.	H	α-helix	trans	-64.7	-40.5	-178.4	-179.9	58.6	0	0	0	113	D398 K399 I400 L425	L396-D398 VanDerWaalsContact C-N 3.32Å; L396-D398 PolarHBondContact O-N 3.33Å; L396-K399 WeakPolarHBondContact O-CB 3.13Å; L396-K399 PolarHBondContact O-N 2.97Å; L396-I400 HydrophobicContact CD1-CD1 4.14Å; L396-I400 HydrophobicContact CD1-CG1 4.35Å; L396-I400 HydrophobicContact CG-CD1 4.02Å; L396-I400 WeakPolarHBondContact O-CG1 3.28Å; L396-I400 PolarHBondContact O-N 2.92Å; L396-L425 WeakPolarHBondContact CD1-O 3.45Å; L396-L425 HydrophobicContact CD2-CB 3.88Å
397	D	95.3	Very high	95.8	Very high	99 Å²	99	41.1 Å²	41.1	53%	0.529	20%	0.198	S	C	.	.	H	α-helix	trans	-65.1	-38.8	178.7	-64.9	-38	0	0	0	110.8	N395 I400 N401	N395-D397 WeakPolarHBondContact OD1-CA 3.43Å; N395-D397 WeakPolarHBondContact OD1-CB 3.48Å; N395-D397 PolarHBondContact OD1-N 3.32Å; D397-I400 PolarHBondContact O-N 2.69Å; D397-N401 WeakPolarHBondContact O-CB 3.25Å; D397-N401 PolarHBondContact O-N 3.5Å; D397-N401 PolarHBondContact O-ND2 3.5Å
398	D	96.7	Very high	95.8	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.134	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-41.7	174.4	-79.2	-7.2	0	0	0	111.8	W391 K392 N395 L396 N401 A402 V450	W391-D398 HydrophobicContact CB-CB 4.49Å; W391-D398 HydrophobicContact CE3-CB 3.69Å; W391-D398 HydrophobicContact CZ3-CB 4.34Å; K392-D398 WeakPolarHBondContact CB-OD2 3.44Å; K392-D398 PolarHBondContact N-OD2 3.16Å; N395-D398 HydrophobicContact CB-CB 4.04Å; N395-D398 PolarHBondContact O-N 2.93Å; N395-D398 PolarHBondContact OD1-N 3.23Å; L396-D398 VanDerWaalsContact C-N 3.32Å; L396-D398 PolarHBondContact O-N 3.33Å; D398-N401 PolarHBondContact O-N 3.05Å; D398-A402 VanDerWaalsContact O-CB 3.22Å; D398-A402 WeakPolarHBondContact O-CB 3.42Å; D398-A402 PolarHBondContact O-N 3.45Å; D398-V450 HydrophobicContact CB-CG1 4.44Å
399	K	96.5	Very high	95.6	Very high	20 Å²	20	42.3 Å²	42.3	9%	0.087	21%	0.212	C	C	.	.	H	α-helix	trans	-56.5	-52.1	171.7	-174.3	-166.7	-172.9	-179.1	0	111.1	N395 L396 A402 F403 G426 V450	N395-K399 PolarHBondContact O-N 3.21Å; L396-K399 WeakPolarHBondContact O-CB 3.13Å; L396-K399 PolarHBondContact O-N 2.97Å; K399-A402 PolarHBondContact O-N 3.42Å; K399-F403 HydrophobicContact CD-CE2 4.5Å; K399-F403 HydrophobicContact CG-CD2 4.03Å; K399-F403 HydrophobicContact CG-CE2 3.94Å; K399-F403 HydrophobicContact CG-CZ 4.48Å; K399-F403 WeakPolarHBondContact O-CB 3.32Å; K399-F403 WeakPolarHBondContact O-CG 3.3Å; K399-F403 PolarHBondContact O-N 2.99Å; K399-G426 WeakPolarHBondContact CE-O 3.26Å; K399-G426 PolarHBondContact NZ-O 2.86Å; K399-V450 HydrophobicContact CB-CB 4.15Å; K399-V450 HydrophobicContact CG-CB 4.46Å; K399-V450 HydrophobicContact CG-CG2 4.39Å
400	I	95.4	Very high	95.4	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.072	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-47.6	-178.8	-68.2	168.3	0	0	0	110.2	L396 D397 A402 F403 H404 L425 I482	L396-I400 HydrophobicContact CD1-CD1 4.14Å; L396-I400 HydrophobicContact CD1-CG1 4.35Å; L396-I400 HydrophobicContact CG-CD1 4.02Å; L396-I400 WeakPolarHBondContact O-CG1 3.28Å; L396-I400 PolarHBondContact O-N 2.92Å; D397-I400 PolarHBondContact O-N 2.69Å; I400-A402 PolarHBondContact O-N 2.87Å; I400-F403 PolarHBondContact O-N 2.88Å; I400-H404 WeakPolarHBondContact O-CB 3.48Å; I400-H404 PolarHBondContact O-N 3.41Å; I400-L425 HydrophobicContact CD1-CB 4.07Å; I400-L425 HydrophobicContact CD1-CD2 4.38Å; I400-I482 HydrophobicContact CG1-CD1 4.29Å
401	N	95.4	Very high	94.8	Very high	70 Å²	70	40 Å²	40	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-64.4	-40.4	-178.8	-76.7	-39.2	0	0	0	112.7	F2 W391 D397 D398 R405	F2-N401 HydrophobicContact CD1-CB 4.37Å; F2-N401 HydrophobicContact CE1-CB 4.02Å; W391-N401 HydrophobicContact CH2-CB 4.14Å; W391-N401 HydrophobicContact CZ3-CB 3.99Å; D397-N401 WeakPolarHBondContact O-CB 3.25Å; D397-N401 PolarHBondContact O-N 3.5Å; D397-N401 PolarHBondContact O-ND2 3.5Å; D398-N401 PolarHBondContact O-N 3.05Å; N401-R405 WeakPolarHBondContact O-CG 3.35Å
402	A	96.5	Very high	94	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-47.8	176.6	0	0	0	0	0	111.2	V386 W391 D398 K399 I400 V450	V386-A402 HydrophobicContact CB-CB 4.21Å; V386-A402 HydrophobicContact CG1-CB 4.29Å; W391-A402 HydrophobicContact CD2-CB 4.18Å; W391-A402 HydrophobicContact CH2-CB 4.15Å; W391-A402 HydrophobicContact CZ2-CB 3.74Å; D398-A402 VanDerWaalsContact O-CB 3.22Å; D398-A402 WeakPolarHBondContact O-CB 3.42Å; D398-A402 PolarHBondContact O-N 3.45Å; K399-A402 PolarHBondContact O-N 3.42Å; I400-A402 PolarHBondContact O-N 2.87Å; A402-V450 HydrophobicContact CB-CG1 4.14Å; A402-V450 HydrophobicContact CB-CG2 4.23Å
403	F	95.9	Very high	93.3	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-78.3	-30.9	-174.5	-72	2.8	0	0	0	113.2	V386 K399 I400 R405 V406 Q407 V450 Q477 V479 I482	V386-F403 HydrophobicContact CG1-CD1 4.45Å; V386-F403 HydrophobicContact CG1-CE1 4.04Å; K399-F403 HydrophobicContact CD-CE2 4.5Å; K399-F403 HydrophobicContact CG-CD2 4.03Å; K399-F403 HydrophobicContact CG-CE2 3.94Å; K399-F403 HydrophobicContact CG-CZ 4.48Å; K399-F403 WeakPolarHBondContact O-CB 3.32Å; K399-F403 WeakPolarHBondContact O-CG 3.3Å; K399-F403 PolarHBondContact O-N 2.99Å; I400-F403 PolarHBondContact O-N 2.88Å; F403-R405 PolarHBondContact O-N 3.48Å; F403-R405 VanDerWaalsContact O-N 3.15Å; F403-V406 PolarHBondContact O-N 3.12Å; F403-Q407 PolarHBondContact O-NE2 3.31Å; F403-V450 HydrophobicContact CD1-CG2 4.06Å; F403-V450 HydrophobicContact CE1-CG2 3.36Å; F403-V450 HydrophobicContact CZ-CG2 3.67Å; F403-Q477 HydrophobicContact CZ-CB 4.48Å; F403-V479 HydrophobicContact CB-CG1 4.02Å; F403-V479 WeakPolarHBondContact CB-O 3.36Å; F403-V479 HydrophobicContact CD1-CB 4.42Å; F403-V479 HydrophobicContact CD1-CG1 3.73Å; F403-V479 HydrophobicContact CD1-CG2 4.4Å; F403-V479 HydrophobicContact CD2-CB 4.47Å; F403-V479 HydrophobicContact CD2-CG1 4.36Å; F403-V479 HydrophobicContact CE1-CG1 4.26Å; F403-V479 HydrophobicContact CE1-CG2 4.09Å; F403-V479 HydrophobicContact CE2-CG2 4.47Å; F403-V479 HydrophobicContact CG-CB 4.37Å; F403-V479 HydrophobicContact CG-CG1 3.79Å; F403-V479 HydrophobicContact CZ-CG2 4.15Å; F403-I482 HydrophobicContact CB-CD1 3.8Å; F403-I482 HydrophobicContact CB-CG1 4.41Å; F403-I482 HydrophobicContact CD2-CD1 4.02Å; F403-I482 HydrophobicContact CD2-CG2 4.3Å; F403-I482 HydrophobicContact CG-CD1 4.41Å
404	H	92.2	Very high	92.7	Very high	99 Å²	99	45.5 Å²	45.5	46%	0.458	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-19.7	176.7	-171.4	-86.2	0	0	0	112.8	I400 V406 Q407	I400-H404 WeakPolarHBondContact O-CB 3.48Å; I400-H404 PolarHBondContact O-N 3.41Å; H404-V406 VanDerWaalsContact C-N 3.3Å; H404-V406 PolarHBondContact O-N 2.54Å; H404-Q407 VanDerWaalsContact O-CG 3.29Å; H404-Q407 WeakPolarHBondContact O-CG 3.34Å
405	R	91.7	Very high	92.1	Very high	44 Å²	44	46.6 Å²	46.6	17%	0.166	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-32.5	173.8	-67.3	173.5	64.4	-142.3	-1.9	112.2	T352 D354 V386 N401 F403	T352-R405 PolarHBondContact OG1-NH2 3.4Å; D354-R405 HydrophobicContact CB-CB 3.96Å; D354-R405 WeakPolarHBondContact CB-O 3.48Å; D354-R405 IonicContact OD1-CZ 2.83Å; D354-R405 IonicContact OD1-NE 3.26Å; D354-R405 IonicContact OD1-NH2 2.87Å; D354-R405 PolarHBondContact OD1-NH2 3.45Å; D354-R405 IonicContact OD2-CZ 3.35Å; D354-R405 VanDerWaalsContact OD2-CZ 3.23Å; D354-R405 IonicContact OD2-NE 2.74Å; D354-R405 PolarHBondContact OD2-NE 3.44Å; D354-R405 IonicContact OD2-NH2 3.93Å; D354-R405 PolarHBondContact OD2-NH2 2.97Å; V386-R405 PolarHBondContact O-NH1 2.99Å; N401-R405 WeakPolarHBondContact O-CG 3.35Å; F403-R405 PolarHBondContact O-N 3.48Å; F403-R405 VanDerWaalsContact O-N 3.15Å
406	V	93.7	Very high	91.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	26%	0.258	C	S	.	.			trans	-103.1	89.7	-173.3	-174.1	0	0	0	0	110.7	L385 F403 H404 I408 V479 S480	L385-V406 HydrophobicContact CD2-CB 4.44Å; L385-V406 HydrophobicContact CD2-CG1 3.95Å; L385-V406 HydrophobicContact CD2-CG2 4.21Å; L385-V406 WeakPolarHBondContact O-CG2 3.03Å; F403-V406 PolarHBondContact O-N 3.12Å; H404-V406 VanDerWaalsContact C-N 3.3Å; H404-V406 PolarHBondContact O-N 2.54Å; V406-I408 HydrophobicContact CG1-CD1 4.18Å; V406-I408 HydrophobicContact CG1-CG1 4.06Å; V406-V479 HydrophobicContact CB-CG1 4.36Å; V406-S480 WeakPolarHBondContact O-CB 3.49Å
407	Q	93.9	Very high	91	Very high	47 Å²	47	42 Å²	42	22%	0.22	25%	0.247	C	C	.	.			trans	-120.1	52.3	-178.2	-59.5	-55.6	-42.9	0	0	112.1	F403 H404 G409 R410 S480	F403-Q407 PolarHBondContact O-NE2 3.31Å; H404-Q407 VanDerWaalsContact O-CG 3.29Å; H404-Q407 WeakPolarHBondContact O-CG 3.34Å; Q407-G409 PolarHBondContact O-N 3.41Å; Q407-G409 VanDerWaalsContact O-N 3.1Å; Q407-R410 HydrophobicContact CB-CB 4.25Å; Q407-R410 PolarHBondContact O-N 3.39Å; Q407-S480 PolarHBondContact OE1-OG 3.31Å
408	I	96.3	Very high	90.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	117.7	-175.7	-58.6	174.6	0	0	0	110.6	I356 Y364 L367 I374 F376 V406 R410 P436 V438	I356-I408 HydrophobicContact CD1-CD1 4.17Å; Y364-I408 HydrophobicContact CE2-CB 4.43Å; Y364-I408 HydrophobicContact CE2-CG2 4.24Å; L367-I408 HydrophobicContact CB-CG2 3.81Å; I374-I408 HydrophobicContact CD1-CD1 4.13Å; I374-I408 HydrophobicContact CD1-CG2 4.11Å; F376-I408 HydrophobicContact CE2-CD1 4.37Å; F376-I408 HydrophobicContact CZ-CD1 4.22Å; V406-I408 HydrophobicContact CG1-CD1 4.18Å; V406-I408 HydrophobicContact CG1-CG1 4.06Å; I408-R410 PolarHBondContact O-N 3.1Å; I408-R410 VanDerWaalsContact O-N 3.08Å; I408-P436 HydrophobicContact CB-CG 4.47Å; I408-P436 HydrophobicContact CG2-CG 4.26Å; I408-P436 VanDerWaalsContact O-CD 3.3Å; I408-P436 WeakPolarHBondContact O-CD 3.22Å; I408-P436 WeakPolarHBondContact O-CG 3.26Å; I408-V438 HydrophobicContact CD1-CG2 4.46Å
409	G	93.8	Very high	89.7	Confident	30 Å²	30	50.4 Å²	50.4	31%	0.309	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	4.8	176.8	0	0	0	0	0	115.2	Y364 S368 Q407	Y364-G409 PolarHBondContact OH-N 2.85Å; Y364-G409 VanDerWaalsContact OH-N 3.13Å; S368-G409 VanDerWaalsContact CB-CA 3.42Å; S368-G409 WeakPolarHBondContact OG-CA 3.41Å; S368-G409 PolarHBondContact OG-N 3.38Å; S368-G409 VanDerWaalsContact OG-N 3.13Å; Q407-G409 PolarHBondContact O-N 3.41Å; Q407-G409 VanDerWaalsContact O-N 3.1Å
410	R	92.4	Very high	89.1	Confident	21 Å²	21	51.9 Å²	51.9	8%	0.079	29%	0.286	C	S	.	.			trans	-94.6	125.5	-173.8	-169.6	173.9	-53.1	-60.5	-8.1	111.1	Q407 I408 C414 C432 C434 G435 P436 S480	Q407-R410 HydrophobicContact CB-CB 4.25Å; Q407-R410 PolarHBondContact O-N 3.39Å; I408-R410 PolarHBondContact O-N 3.1Å; I408-R410 VanDerWaalsContact O-N 3.08Å; R410-C414 HydrophobicContact CG-CB 4.27Å; R410-C432 PolarHBondContact NH1-SG 3.45Å; R410-C434 WeakPolarHBondContact CA-O 3.5Å; R410-C434 HydrophobicContact CG-CB 4.39Å; R410-G435 PolarHBondContact NH1-O 3.35Å; R410-G435 PolarHBondContact NH2-O 3.19Å; R410-P436 PolarHBondContact NH2-O 3.48Å; R410-S480 PolarHBondContact NE-OG 3.01Å
411	S	84.8	Confident	88.4	Confident	52 Å²	52	63.5 Å²	63.5	36%	0.364	33%	0.329	S	S	.	.			trans	-63	134.4	174.9	-176.9	0	0	0	0	111.2	S413 C414	S411-S413 PolarHBondContact O-N 3.27Å; S411-S413 VanDerWaalsContact O-N 3.11Å; S411-S413 PolarHBondContact OG-N 3.04Å; S411-S413 VanDerWaalsContact OG-N 3.17Å; S411-S413 PolarHBondContact OG-OG 3.29Å; S411-C414 VanDerWaalsContact O-CB 3.28Å; S411-C414 WeakPolarHBondContact O-CB 3.35Å; S411-C414 PolarHBondContact O-N 3.5Å
412	P	80.3	Confident	87.9	Confident	127 Å²	127	66.2 Å²	66.2	83%	0.825	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.1	168.6	-24.4	34.1	0	0	0	113.3	C414	P412-C414 PolarHBondContact O-N 2.87Å
413	S	81.5	Confident	87.3	Confident	94 Å²	94	69 Å²	69	66%	0.657	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	9.1	176.4	66.6	0	0	0	0	114.5	S411 T415	S411-S413 PolarHBondContact O-N 3.27Å; S411-S413 VanDerWaalsContact O-N 3.11Å; S411-S413 PolarHBondContact OG-N 3.04Å; S411-S413 VanDerWaalsContact OG-N 3.17Å; S411-S413 PolarHBondContact OG-OG 3.29Å; S413-T415 PolarHBondContact O-N 3.41Å
414	C	85.5	Confident	87.1	Confident	37 Å²	37	75.1 Å²	75.1	25%	0.25	39%	0.388	C	S	.	.			trans	-60.5	121.6	178.5	-176	0	0	0	0	111.3	R410 S411 P412 C432 C434	R410-C414 HydrophobicContact CG-CB 4.27Å; S411-C414 VanDerWaalsContact O-CB 3.28Å; S411-C414 WeakPolarHBondContact O-CB 3.35Å; S411-C414 PolarHBondContact O-N 3.5Å; P412-C414 PolarHBondContact O-N 2.87Å; C414-C432 VanDerWaalsContact SG-SG 3.65Å; C414-C434 HydrophobicContact CB-CB 4.2Å
415	T	85.1	Confident	87.1	Confident	69 Å²	69	74.1 Å²	74.1	42%	0.423	39%	0.386	S	S	.	.			trans	-110.5	14.3	179.2	54.4	0	0	0	0	113.3	S413 S417 K418	S413-T415 PolarHBondContact O-N 3.41Å; T415-S417 PolarHBondContact O-N 2.82Å; T415-K418 HydrophobicContact CG2-CD 4.32Å; T415-K418 WeakPolarHBondContact O-CB 3.5Å; T415-K418 PolarHBondContact O-N 3.48Å
416	C	85.6	Confident	87.1	Confident	9 Å²	9	72.1 Å²	72.1	6%	0.061	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-58.2	-34.5	-175.3	-74.3	0	0	0	0	113.2	K418 K419 I429 C432	C416-K418 PolarHBondContact O-N 2.98Å; C416-K419 WeakPolarHBondContact O-CB 3.47Å; C416-K419 PolarHBondContact O-N 2.71Å; C416-I429 HydrophobicContact CB-CG2 4.33Å; C416-C432 HydrophobicContact CB-CB 3.95Å; C416-C432 PolarHBondContact SG-SG 3.47Å
417	S	83.4	Confident	87.1	Confident	23 Å²	23	75.5 Å²	75.5	16%	0.161	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-58.1	-31.6	175.2	56.2	0	0	0	0	113.1	T415 K419 L420	T415-S417 PolarHBondContact O-N 2.82Å; S417-K419 PolarHBondContact O-N 3.26Å; S417-L420 PolarHBondContact O-N 3.3Å
418	K	82.3	Confident	87.2	Confident	150 Å²	150	74.4 Å²	74.4	65%	0.652	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-72.3	-13.9	179.4	-57.5	-175.6	179.9	179.5	0	113.5	T415 C416	T415-K418 HydrophobicContact CG2-CD 4.32Å; T415-K418 WeakPolarHBondContact O-CB 3.5Å; T415-K418 PolarHBondContact O-N 3.48Å; C416-K418 PolarHBondContact O-N 2.98Å
419	K	81.5	Confident	87.1	Confident	150 Å²	150	74.6 Å²	74.6	65%	0.652	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-88.2	-13.5	179.3	-59.8	-179.6	-176.9	176.5	0	112.6	C416 S417	C416-K419 WeakPolarHBondContact O-CB 3.47Å; C416-K419 PolarHBondContact O-N 2.71Å; S417-K419 PolarHBondContact O-N 3.26Å
420	L	83.6	Confident	87	Confident	50 Å²	50	74.7 Å²	74.7	26%	0.262	39%	0.389	S	S	.	.	S	Bend	trans	-73.1	139.3	179.5	-62.7	174.3	0	0	0	109.9	S417 D422 P423 I429 V483	S417-L420 PolarHBondContact O-N 3.3Å; L420-D422 VanDerWaalsContact C-N 3.3Å; L420-D422 PolarHBondContact O-N 3.08Å; L420-P423 HydrophobicContact CB-CB 3.97Å; L420-P423 HydrophobicContact CB-CG 4.41Å; L420-P423 HydrophobicContact CD1-CB 4.08Å; L420-I429 HydrophobicContact CD1-CG1 4.15Å; L420-I429 HydrophobicContact CD1-CG2 4.37Å; L420-V483 HydrophobicContact CD1-CG2 3.74Å
421	R	81.1	Confident	86.8	Confident	259 Å²	259	77.6 Å²	77.6	98%	0.977	41%	0.406	S	S	*	.	S	Bend	trans	-70	-27.1	-177.6	-68.7	-175.8	-178.8	-172.1	0.5	113.2
422	D	83.9	Confident	87	Confident	126 Å²	126	75.4 Å²	75.4	67%	0.674	39%	0.391	S	S	*	.	S	Bend	trans	-153.6	74.3	178.8	-172.7	24.7	0	0	0	110.1	L420 K424	L420-D422 VanDerWaalsContact C-N 3.3Å; L420-D422 PolarHBondContact O-N 3.08Å; D422-K424 PolarHBondContact O-N 3.27Å
423	P	85.2	Confident	87.2	Confident	59 Å²	59	74.4 Å²	74.4	38%	0.383	39%	0.387	S	S	.	.			trans	-74	113	-176.1	27.6	-30.4	0	0	0	110.8	L420 V483	L420-P423 HydrophobicContact CB-CB 3.97Å; L420-P423 HydrophobicContact CB-CG 4.41Å; L420-P423 HydrophobicContact CD1-CB 4.08Å; P423-V483 HydrophobicContact CB-CG1 3.79Å; P423-V483 HydrophobicContact CB-CG2 4.07Å
424	K	91.3	Very high	87.6	Confident	128 Å²	128	72.3 Å²	72.3	56%	0.557	37%	0.372	S	S	*	.			trans	-87.3	133.9	168.9	-59.9	178.6	-180	178.9	0	110	D422 G426 D427 V483	D422-K424 PolarHBondContact O-N 3.27Å; K424-G426 PolarHBondContact O-N 3.12Å; K424-D427 HydrophobicContact CB-CB 4.48Å; K424-D427 WeakPolarHBondContact CB-OD2 3.43Å; K424-D427 WeakPolarHBondContact O-CB 3.36Å; K424-D427 PolarHBondContact O-N 3.11Å; K424-D427 VanDerWaalsContact O-N 3.15Å; K424-V483 WeakPolarHBondContact O-CB 3.47Å; K424-V483 WeakPolarHBondContact O-CG1 3.32Å
425	L	92	Very high	88	Confident	79 Å²	79	71.4 Å²	71.4	41%	0.414	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	136.2	176.8	-74.1	177.7	0	0	0	110.7	L396 I400 D427 V483	L396-L425 WeakPolarHBondContact CD1-O 3.45Å; L396-L425 HydrophobicContact CD2-CB 3.88Å; I400-L425 HydrophobicContact CD1-CB 4.07Å; I400-L425 HydrophobicContact CD1-CD2 4.38Å; L425-D427 VanDerWaalsContact C-N 3.28Å; L425-D427 PolarHBondContact O-N 2.86Å; L425-V483 HydrophobicContact CD2-CG1 4.27Å
426	G	92.5	Very high	88.5	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.01	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-8.5	-177.9	0	0	0	0	0	115.3	K399 K424 V483	K399-G426 WeakPolarHBondContact CE-O 3.26Å; K399-G426 PolarHBondContact NZ-O 2.86Å; K424-G426 PolarHBondContact O-N 3.12Å; G426-V483 PolarHBondContact N-O 3.09Å
427	D	94.3	Very high	89.1	Confident	72 Å²	72	68 Å²	68	39%	0.385	35%	0.347	S	S	.	.			trans	-74.3	145	179.6	-79.9	7	0	0	0	111.7	K424 L425 I482 V483	K424-D427 HydrophobicContact CB-CB 4.48Å; K424-D427 WeakPolarHBondContact CB-OD2 3.43Å; K424-D427 WeakPolarHBondContact O-CB 3.36Å; K424-D427 PolarHBondContact O-N 3.11Å; K424-D427 VanDerWaalsContact O-N 3.15Å; L425-D427 VanDerWaalsContact C-N 3.28Å; L425-D427 PolarHBondContact O-N 2.86Å; D427-I482 CarbonylContact O-C 3.46Å; D427-I482 WeakPolarHBondContact O-CA 3.47Å; D427-V483 HydrophobicContact CB-CG2 4.47Å; D427-V483 PolarHBondContact O-N 3.41Å
428	P	95	Very high	89.8	Confident	24 Å²	24	66.9 Å²	66.9	16%	0.156	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-62.5	142.2	172.9	-22.6	34.1	0	0	0	113.5	D225 A228 I478	D225-P428 HydrophobicContact CB-CG 4.3Å; A228-P428 HydrophobicContact CB-CB 4.27Å; A228-P428 HydrophobicContact CB-CG 4.34Å; P428-I478 HydrophobicContact CB-CB 3.83Å; P428-I478 HydrophobicContact CB-CD1 3.53Å; P428-I478 HydrophobicContact CB-CG1 4.25Å; P428-I478 HydrophobicContact CB-CG2 3.92Å; P428-I478 HydrophobicContact CG-CB 3.9Å; P428-I478 HydrophobicContact CG-CD1 3.95Å; P428-I478 HydrophobicContact CG-CG1 4.39Å; P428-I478 HydrophobicContact CG-CG2 4.47Å
429	I	93.2	Very high	90.6	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.031	31%	0.309	C	S	.	.			trans	-101.6	107	173.7	-50.8	179	0	0	0	109.5	C416 L420 D431 C432 P481 V483	C416-I429 HydrophobicContact CB-CG2 4.33Å; L420-I429 HydrophobicContact CD1-CG1 4.15Å; L420-I429 HydrophobicContact CD1-CG2 4.37Å; I429-D431 WeakPolarHBondContact CG2-OD1 3.2Å; I429-C432 HydrophobicContact CB-CB 4.42Å; I429-C432 HydrophobicContact CG2-CB 3.83Å; I429-P481 HydrophobicContact CB-CB 4.15Å; I429-P481 HydrophobicContact CB-CG 4.06Å; I429-P481 HydrophobicContact CD1-CB 4.31Å; I429-P481 HydrophobicContact CG1-CB 4.46Å; I429-P481 PolarHBondContact N-O 3.29Å; I429-V483 HydrophobicContact CD1-CG2 4.1Å; I429-V483 HydrophobicContact CG1-CG2 3.8Å
430	T	92.5	Very high	91.4	Very high	32 Å²	32	52.7 Å²	52.7	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-2.4	-170.3	60.4	0	0	0	0	115.5	A228 F232 S235	A228-T430 HydrophobicContact CB-CG2 3.89Å; A228-T430 VanDerWaalsContact O-CG2 3.25Å; A228-T430 WeakPolarHBondContact O-CG2 3.21Å; F232-T430 WeakPolarHBondContact CD2-O 3.45Å; S235-T430 PolarHBondContact OG-O 3.01Å
431	D	87.8	Confident	92.1	Very high	82 Å²	82	50.3 Å²	50.3	44%	0.439	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	15.9	-177.2	67.7	-20.5	0	0	0	112.9	I429	I429-D431 WeakPolarHBondContact CG2-OD1 3.2Å
432	C	88.9	Confident	92.8	Very high	6 Å²	6	38 Å²	38	4%	0.041	22%	0.219	C	C	.	.			trans	-85.7	121.9	178.7	-174.9	0	0	0	0	111.9	R410 C414 C416 I429 P481	R410-C432 PolarHBondContact NH1-SG 3.45Å; C414-C432 VanDerWaalsContact SG-SG 3.65Å; C416-C432 HydrophobicContact CB-CB 3.95Å; C416-C432 PolarHBondContact SG-SG 3.47Å; I429-C432 HydrophobicContact CB-CB 4.42Å; I429-C432 HydrophobicContact CG2-CB 3.83Å; C432-P481 HydrophobicContact CB-CB 4.4Å; C432-P481 HydrophobicContact CB-CG 3.54Å
433	S	86.1	Confident	93.4	Very high	106 Å²	106	32 Å²	32	74%	0.741	19%	0.187	S	C	*	.			trans	-106.5	14.6	176	71.3	0	0	0	0	113.8	G435	S433-G435 PolarHBondContact O-N 3.4Å
434	C	89.7	Confident	93.9	Very high	51 Å²	51	29.1 Å²	29.1	35%	0.345	17%	0.169	S	C	.	.	S	Bend	trans	-81.5	5.2	-175.8	-63.3	0	0	0	0	114.3	R410 C414	R410-C434 WeakPolarHBondContact CA-O 3.5Å; R410-C434 HydrophobicContact CG-CB 4.39Å; C414-C434 HydrophobicContact CB-CB 4.2Å
435	G	93	Very high	94.1	Very high	18 Å²	18	23.2 Å²	23.2	19%	0.186	14%	0.143	C	C	.	.	S	Bend	trans	160.1	161.7	-173.7	0	0	0	0	0	109.8	R410 S433	R410-G435 PolarHBondContact NH1-O 3.35Å; R410-G435 PolarHBondContact NH2-O 3.19Å; S433-G435 PolarHBondContact O-N 3.4Å
436	P	96.4	Very high	94.2	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.019	12%	0.123	C	C	.	.			trans	-56.1	147.5	-176.4	21.7	-34.4	0	0	0	113.1	D372 I374 I408 R410	D372-P436 WeakPolarHBondContact O-CA 3.39Å; I374-P436 HydrophobicContact CD1-CB 3.88Å; I374-P436 HydrophobicContact CD1-CG 3.73Å; I374-P436 HydrophobicContact CG1-CB 4.02Å; I374-P436 HydrophobicContact CG1-CG 4.43Å; I408-P436 HydrophobicContact CB-CG 4.47Å; I408-P436 HydrophobicContact CG2-CG 4.26Å; I408-P436 VanDerWaalsContact O-CD 3.3Å; I408-P436 WeakPolarHBondContact O-CD 3.22Å; I408-P436 WeakPolarHBondContact O-CG 3.26Å; R410-P436 PolarHBondContact NH2-O 3.48Å
437	M	97.1	Very high	94.4	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.5	163.1	-179.8	162.7	-72.9	0	0	109.1	L229 F232 D372 L373 I374 V439 I478 S480	L229-M437 HydrophobicContact CD1-CG 4.45Å; L229-M437 HydrophobicContact CD1-SD 3.54Å; L229-M437 VanDerWaalsContact CD1-SD 3.54Å; F232-M437 HydrophobicContact CB-CE 3.58Å; F232-M437 HydrophobicContact CB-SD 3.74Å; F232-M437 HydrophobicContact CD1-CB 4.22Å; F232-M437 HydrophobicContact CD1-CE 3.98Å; F232-M437 HydrophobicContact CD1-CG 4.43Å; F232-M437 HydrophobicContact CD1-SD 3.44Å; F232-M437 WeakPolarHBondContact CD1-SD 3.28Å; F232-M437 HydrophobicContact CD2-CE 3.38Å; F232-M437 HydrophobicContact CD2-SD 4.02Å; F232-M437 HydrophobicContact CE1-CB 3.77Å; F232-M437 HydrophobicContact CE1-CG 4.43Å; F232-M437 HydrophobicContact CE1-SD 4Å; F232-M437 HydrophobicContact CE2-CB 4.1Å; F232-M437 HydrophobicContact CE2-CE 4.01Å; F232-M437 HydrophobicContact CG-CE 3.35Å; F232-M437 HydrophobicContact CG-SD 3.44Å; F232-M437 WeakPolarHBondContact CG-SD 3.39Å; F232-M437 HydrophobicContact CZ-CB 3.7Å; F232-M437 HydrophobicContact CZ-SD 4.49Å; D372-M437 PolarHBondContact O-N 3.05Å; L373-M437 CarbonylContact C-O 2.96Å; L373-M437 WeakPolarHBondContact CA-O 3.45Å; L373-M437 HydrophobicContact CD1-CB 4.02Å; L373-M437 HydrophobicContact CD1-CG 4.04Å; I374-M437 PolarHBondContact N-O 3.25Å; M437-V439 HydrophobicContact CG-CG2 4.03Å; M437-V439 HydrophobicContact SD-CG2 4.48Å; M437-I478 HydrophobicContact CE-CD1 4.26Å; M437-I478 HydrophobicContact CE-CG2 4.49Å; M437-I478 HydrophobicContact CG-CG2 4.3Å; M437-I478 HydrophobicContact SD-CD1 3.94Å; M437-I478 HydrophobicContact SD-CG1 4.23Å; M437-I478 HydrophobicContact SD-CG2 4.48Å; M437-S480 CarbonylContact C-O 3.4Å; M437-S480 WeakPolarHBondContact CA-O 3.33Å
438	V	98.6	Very high	94.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.5	178.1	-178.2	0	0	0	0	108.7	I374 F376 L385 I408 V479 S480	I374-V438 HydrophobicContact CD1-CG2 4.48Å; I374-V438 CarbonylContact O-C 3.52Å; I374-V438 WeakPolarHBondContact O-CA 3.48Å; F376-V438 HydrophobicContact CD2-CG1 3.73Å; F376-V438 HydrophobicContact CE2-CG1 3.6Å; L385-V438 HydrophobicContact CD2-CG1 4.17Å; I408-V438 HydrophobicContact CD1-CG2 4.46Å; V438-V479 HydrophobicContact CB-CB 4.39Å; V438-V479 HydrophobicContact CG1-CB 4.08Å; V438-V479 PolarHBondContact O-N 3.12Å; V438-S480 PolarHBondContact N-O 2.9Å; V438-S480 PolarHBondContact O-N 2.82Å
439	V	98.8	Very high	94.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.4	-177.6	-178	0	0	0	0	109.3	L229 L373 I374 I375 F376 M437 L441 Q477 I478	L229-V439 HydrophobicContact CD1-CG2 3.7Å; L229-V439 HydrophobicContact CD2-CG1 4.15Å; L229-V439 HydrophobicContact CD2-CG2 4.07Å; L229-V439 HydrophobicContact CG-CG2 4.46Å; L373-V439 HydrophobicContact CD1-CG2 3.74Å; I374-V439 PolarHBondContact O-N 2.92Å; I375-V439 CarbonylContact C-O 3.56Å; I375-V439 WeakPolarHBondContact CA-O 3.36Å; I375-V439 HydrophobicContact CG1-CB 4.37Å; F376-V439 PolarHBondContact N-O 3.27Å; M437-V439 HydrophobicContact CG-CG2 4.03Å; M437-V439 HydrophobicContact SD-CG2 4.48Å; V439-L441 HydrophobicContact CG1-CD2 4.06Å; V439-L441 HydrophobicContact CG1-CG 4.41Å; V439-Q477 CarbonylContact C-O 3.51Å; V439-Q477 VanDerWaalsContact CA-O 3.28Å; V439-Q477 WeakPolarHBondContact CA-O 3.35Å; V439-I478 HydrophobicContact CG2-CG1 4.23Å
440	A	98.7	Very high	94.7	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.9	167.2	0	0	0	0	0	110.2	F376 Y382 L385 Q477 V479	F376-A440 WeakPolarHBondContact O-CA 3.2Å; Y382-A440 HydrophobicContact CD2-CB 3.77Å; Y382-A440 HydrophobicContact CE2-CB 4.22Å; L385-A440 HydrophobicContact CD1-CB 3.62Å; A440-Q477 PolarHBondContact N-O 2.74Å; A440-Q477 PolarHBondContact O-N 2.84Å; A440-V479 HydrophobicContact CB-CG2 4.1Å
441	L	98.7	Very high	94.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	103.3	170	-58.1	-179	0	0	0	108.1	L183 L187 I375 F376 K377 G378 V439 F475 I476	L183-L441 HydrophobicContact CD1-CD1 3.74Å; L183-L441 HydrophobicContact CD1-CD2 3.93Å; L183-L441 HydrophobicContact CD1-CG 4.44Å; L183-L441 HydrophobicContact CG-CD2 4.31Å; L187-L441 HydrophobicContact CB-CB 4.38Å; L187-L441 HydrophobicContact CD1-CB 4.05Å; I375-L441 HydrophobicContact CG2-CD1 3.61Å; I375-L441 HydrophobicContact CG2-CG 3.79Å; F376-L441 PolarHBondContact O-N 2.96Å; K377-L441 CarbonylContact C-O 3.5Å; K377-L441 HydrophobicContact CD-CB 4.19Å; K377-L441 HydrophobicContact CD-CD1 4.19Å; G378-L441 PolarHBondContact N-O 3.09Å; V439-L441 HydrophobicContact CG1-CD2 4.06Å; V439-L441 HydrophobicContact CG1-CG 4.41Å; L441-F475 WeakPolarHBondContact CA-O 3.46Å; L441-I476 HydrophobicContact CD2-CB 4.2Å; L441-I476 HydrophobicContact CD2-CG1 3.95Å; L441-I476 HydrophobicContact CD2-CG2 3.88Å
442	R	96	Very high	95.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	128.8	-169.8	-176.3	-126.7	-172.8	169.3	-14	111.7	L187 D379 Y382 S446 V448 F475	L187-R442 VanDerWaalsContact CD1-C 3.48Å; D379-R442 IonicContact OD1-CZ 3.81Å; D379-R442 VanDerWaalsContact OD1-CZ 3.22Å; D379-R442 IonicContact OD1-NE 2.68Å; D379-R442 PolarHBondContact OD1-NE 3Å; D379-R442 IonicContact OD1-NH2 2.96Å; D379-R442 PolarHBondContact OD1-NH2 3.15Å; Y382-R442 HydrophobicContact CD2-CB 3.84Å; Y382-R442 HydrophobicContact CD2-CG 4.08Å; Y382-R442 HydrophobicContact CG-CB 4.14Å; Y382-R442 VanDerWaalsContact CG-CD 3.46Å; Y382-R442 HydrophobicContact CG-CG 3.87Å; R442-S446 PolarHBondContact NH2-O 3.32Å; R442-S446 PolarHBondContact NH2-OG 2.97Å; R442-V448 PolarHBondContact NH1-O 2.97Å; R442-V448 PolarHBondContact NH2-O 3.16Å; R442-V448 VanDerWaalsContact NH2-O 3.15Å; R442-F475 HydrophobicContact CB-CB 4.47Å; R442-F475 PolarHBondContact N-O 2.69Å; R442-F475 PolarHBondContact O-N 2.74Å
443	V	96.5	Very high	95.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	134.8	161.5	173.2	0	0	0	0	108.3	L187 W188 N190 E191 K445 G471 Y473	L187-V443 HydrophobicContact CD1-CG2 4.29Å; W188-V443 HydrophobicContact CE3-CG2 3.98Å; W188-V443 HydrophobicContact CZ3-CG2 4.25Å; N190-V443 HydrophobicContact CB-CB 4.32Å; N190-V443 HydrophobicContact CB-CG2 3.97Å; E191-V443 HydrophobicContact CG-CG1 4.28Å; E191-V443 HydrophobicContact CG-CG2 4.16Å; V443-K445 HydrophobicContact CG1-CG 4.24Å; V443-K445 PolarHBondContact O-N 2.9Å; V443-K445 VanDerWaalsContact O-N 3.17Å; V443-G471 VanDerWaalsContact CG1-C 3.47Å; V443-G471 WeakPolarHBondContact CG1-O 3.49Å; V443-Y473 CarbonylContact C-O 3.53Å; V443-Y473 WeakPolarHBondContact CA-O 3.33Å
444	A	95.5	Very high	96.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.087	C	C	.	.			trans	-74	105.4	-173.4	0	0	0	0	0	111.2	W468 G471 Y473 F475	A444-W468 CarbonylContact C-O 3.55Å; A444-W468 HydrophobicContact CB-CB 4.29Å; A444-W468 WeakPolarHBondContact CB-O 3.46Å; A444-W468 CarbonylContact O-C 3.49Å; A444-G471 VanDerWaalsContact O-CA 3.22Å; A444-G471 WeakPolarHBondContact O-CA 3.5Å; A444-G471 PolarHBondContact O-N 2.91Å; A444-Y473 WeakPolarHBondContact CB-O 3.45Å; A444-Y473 PolarHBondContact N-O 3.4Å; A444-F475 HydrophobicContact CB-CD2 4.28Å; A444-F475 HydrophobicContact CB-CE2 3.75Å
445	K	94.8	Very high	96.6	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.017	10%	0.1	C	C	.	.			trans	-129.3	6.1	-177.5	-60.8	170.3	-178.3	166.7	0	113.7	F13 N190 D193 L196 D379 V443 W468	F13-K445 WeakPolarHBondContact CD2-O 3.23Å; F13-K445 WeakPolarHBondContact CE2-O 3.41Å; F13-K445 WeakPolarHBondContact CZ-O 3.35Å; N190-K445 VanDerWaalsContact CG-NZ 3.32Å; N190-K445 WeakPolarHBondContact O-CE 3.37Å; N190-K445 PolarHBondContact O-NZ 2.61Å; N190-K445 WeakPolarHBondContact OD1-CE 3.48Å; N190-K445 PolarHBondContact OD1-NZ 3.34Å; D193-K445 WeakPolarHBondContact OD2-CD 3.43Å; D193-K445 WeakPolarHBondContact OD2-CE 3.32Å; D193-K445 IonicContact OD2-NZ 3.06Å; D193-K445 PolarHBondContact OD2-NZ 2.81Å; L196-K445 HydrophobicContact CD1-CB 4.31Å; L196-K445 HydrophobicContact CD1-CD 3.75Å; L196-K445 HydrophobicContact CD1-CG 3.82Å; D379-K445 HydrophobicContact CB-CB 4.18Å; D379-K445 HydrophobicContact CB-CD 4.36Å; D379-K445 PolarHBondContact OD1-N 3.42Å; V443-K445 HydrophobicContact CG1-CG 4.24Å; V443-K445 PolarHBondContact O-N 2.9Å; V443-K445 VanDerWaalsContact O-N 3.17Å; K445-W468 CarbonylContact C-O 3.59Å; K445-W468 PolarHBondContact N-O 3.25Å; K445-W468 VanDerWaalsContact N-O 3.09Å
446	S	95.2	Very high	96.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-146.5	153.1	177.2	54.6	0	0	0	0	110.7	D379 R383 R442 V448 W468	D379-S446 PolarHBondContact OD1-N 3.35Å; D379-S446 PolarHBondContact OD1-OG 3.42Å; D379-S446 VanDerWaalsContact OD2-CB 3.29Å; D379-S446 WeakPolarHBondContact OD2-CB 3.48Å; D379-S446 PolarHBondContact OD2-OG 2.9Å; R383-S446 VanDerWaalsContact CD-OG 3.3Å; R383-S446 WeakPolarHBondContact CD-OG 3.46Å; R442-S446 PolarHBondContact NH2-O 3.32Å; R442-S446 PolarHBondContact NH2-OG 2.97Å; S446-V448 PolarHBondContact O-N 3.25Å; S446-W468 CarbonylContact C-O 3.59Å; S446-W468 PolarHBondContact N-O 3.02Å
447	D	95	Very high	96.7	Very high	15 Å²	15	20.6 Å²	20.6	8%	0.08	11%	0.106	C	C	.	.	S	Bend	trans	-78.8	46.6	-173.8	58.9	-9.3	0	0	0	113.4	S11 E12 F13 W468 T469	S11-D447 WeakPolarHBondContact CA-OD2 3.47Å; S11-D447 WeakPolarHBondContact CB-OD2 3.45Å; S11-D447 PolarHBondContact OG-OD1 2.84Å; S11-D447 PolarHBondContact OG-OD2 3.39Å; E12-D447 PolarHBondContact N-OD2 3.42Å; E12-D447 VanDerWaalsContact N-OD2 3.09Å; F13-D447 HydrophobicContact CB-CB 4.2Å; F13-D447 WeakPolarHBondContact CB-OD1 3.47Å; F13-D447 PolarHBondContact N-OD2 2.89Å; D447-W468 HydrophobicContact CB-CD2 4.18Å; D447-W468 HydrophobicContact CB-CH2 4.25Å; D447-W468 HydrophobicContact CB-CZ2 3.73Å; D447-W468 WeakPolarHBondContact O-CH2 3.46Å; D447-W468 WeakPolarHBondContact O-CZ3 3.29Å; D447-T469 HydrophobicContact CB-CG2 4.02Å
448	V	96.2	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.			trans	-133	143.7	170.8	69.5	0	0	0	0	109.8	L6 Y382 R383 V386 R389 R442 S446	L6-V448 HydrophobicContact CD1-CB 4.08Å; Y382-V448 HydrophobicContact CD1-CG1 4.45Å; R383-V448 HydrophobicContact CG-CG1 3.62Å; V386-V448 HydrophobicContact CG2-CG1 4.35Å; V386-V448 HydrophobicContact CG2-CG2 3.58Å; R389-V448 WeakPolarHBondContact O-CG2 3.45Å; R442-V448 PolarHBondContact NH1-O 2.97Å; R442-V448 PolarHBondContact NH2-O 3.16Å; R442-V448 VanDerWaalsContact NH2-O 3.15Å; S446-V448 PolarHBondContact O-N 3.25Å
449	G	96	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.			trans	-179.7	153.7	176.6	0	0	0	0	0	110.5	P393	P393-G449 WeakPolarHBondContact CA-O 3.49Å
450	V	97.6	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.			trans	-141.5	158.2	174	-69.7	0	0	0	0	110.5	Y382 V386 W391 P393 D398 K399 A402 F403 Q477	Y382-V450 PolarHBondContact OH-N 3.01Å; V386-V450 HydrophobicContact CG1-CG2 4.19Å; W391-V450 HydrophobicContact CB-CG1 3.46Å; W391-V450 VanDerWaalsContact CB-CG1 3.46Å; W391-V450 HydrophobicContact CD2-CG1 4.26Å; W391-V450 HydrophobicContact CG-CG1 3.68Å; P393-V450 CarbonylContact O-C 3.59Å; D398-V450 HydrophobicContact CB-CG1 4.44Å; K399-V450 HydrophobicContact CB-CB 4.15Å; K399-V450 HydrophobicContact CG-CB 4.46Å; K399-V450 HydrophobicContact CG-CG2 4.39Å; A402-V450 HydrophobicContact CB-CG1 4.14Å; A402-V450 HydrophobicContact CB-CG2 4.23Å; F403-V450 HydrophobicContact CD1-CG2 4.06Å; F403-V450 HydrophobicContact CE1-CG2 3.36Å; F403-V450 HydrophobicContact CZ-CG2 3.67Å; V450-Q477 PolarHBondContact O-NE2 3.47Å
451	G	96.7	Very high	96	Very high	15 Å²	15	31.5 Å²	31.5	16%	0.155	16%	0.158	C	C	.	.			trans	74.2	24.6	172.8	0	0	0	0	0	115.2	V223 P393	V223-G451 WeakPolarHBondContact CG2-O 3.28Å; P393-G451 PolarHBondContact O-N 3.41Å
452	V	97.4	Very high	95.9	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.03	19%	0.192	C	C	.	.			trans	-76.9	138.7	166.7	-172.4	0	0	0	0	108	V223 P393 D394 R456 F457 L460 W467 F475	V223-V452 HydrophobicContact CG2-CG2 4.19Å; P393-V452 HydrophobicContact CB-CB 4.28Å; P393-V452 HydrophobicContact CB-CG2 3.92Å; P393-V452 PolarHBondContact O-N 3.26Å; D394-V452 VanDerWaalsContact CA-O 3.3Å; D394-V452 WeakPolarHBondContact CA-O 3.38Å; V452-R456 HydrophobicContact CG1-CB 4.41Å; V452-R456 HydrophobicContact CG1-CG 4.36Å; V452-F457 HydrophobicContact CB-CB 4.46Å; V452-F457 HydrophobicContact CG1-CB 3.94Å; V452-L460 HydrophobicContact CG1-CD1 4.4Å; V452-W467 HydrophobicContact CG2-CH2 3.94Å; V452-F475 HydrophobicContact CG2-CE1 3.79Å; V452-F475 HydrophobicContact CG2-CZ 4.09Å
453	D	96	Very high	95.7	Very high	97 Å²	97	44 Å²	44	52%	0.519	22%	0.22	S	C	.	.			trans	-61.3	144.4	172.5	175.6	-95.7	0	0	0	110.9	D455 R456 F457	D453-D455 PolarHBondContact O-N 2.76Å; D453-D455 WeakPolarHBondContact OD1-CB 3.36Å; D453-D455 PolarHBondContact OD1-N 2.84Å; D453-R456 HydrophobicContact CB-CB 4.04Å; D453-R456 PolarHBondContact O-N 2.94Å; D453-R456 PolarHBondContact OD1-N 3.46Å; D453-F457 VanDerWaalsContact O-CB 3.31Å; D453-F457 WeakPolarHBondContact O-CB 3.45Å; D453-F457 PolarHBondContact O-N 3.45Å
454	H	96.9	Very high	95.5	Very high	96 Å²	96	46.1 Å²	46.1	44%	0.444	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-43.7	-174.5	-178.3	67.6	0	0	0	112.7	D394 F457 I458	D394-H454 HydrophobicContact CB-CB 4.39Å; D394-H454 IonicContact OD2-CE1 3.92Å; D394-H454 PolarHBondContact OD2-CE1 3.37Å; D394-H454 IonicContact OD2-CG 2.75Å; D394-H454 IonicContact OD2-ND1 3.79Å; D394-H454 PolarHBondContact OD2-ND1 2.84Å; H454-F457 PolarHBondContact O-N 2.95Å; H454-I458 VanDerWaalsContact NE2-CD1 3.3Å; H454-I458 WeakPolarHBondContact NE2-CD1 3.47Å; H454-I458 WeakPolarHBondContact O-CG1 3.38Å; H454-I458 PolarHBondContact O-N 3.48Å
455	D	96.4	Very high	95.2	Very high	118 Å²	118	53.8 Å²	53.8	63%	0.631	27%	0.267	S	S	*	.	H	α-helix	trans	-68.3	-41.7	-179.8	-66.7	-24.6	0	0	0	109.8	D453 F457 I458 E459	D453-D455 PolarHBondContact O-N 2.76Å; D453-D455 WeakPolarHBondContact OD1-CB 3.36Å; D453-D455 PolarHBondContact OD1-N 2.84Å; D455-F457 VanDerWaalsContact C-N 3.33Å; D455-F457 PolarHBondContact O-N 3.4Å; D455-I458 PolarHBondContact O-N 3.29Å; D455-E459 PolarHBondContact O-N 3.05Å
456	R	95.1	Very high	95	Very high	46 Å²	46	57.3 Å²	57.3	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-39.7	174.3	-175	54	174.1	158.1	2.1	112	K219 V452 D453 E459 L460	K219-R456 PolarHBondContact O-NH2 2.83Å; V452-R456 HydrophobicContact CG1-CB 4.41Å; V452-R456 HydrophobicContact CG1-CG 4.36Å; D453-R456 HydrophobicContact CB-CB 4.04Å; D453-R456 PolarHBondContact O-N 2.94Å; D453-R456 PolarHBondContact OD1-N 3.46Å; R456-E459 WeakPolarHBondContact CD-OE2 3.47Å; R456-E459 IonicContact CZ-OE2 3.74Å; R456-E459 IonicContact NH1-OE1 2.74Å; R456-E459 PolarHBondContact NH1-OE1 3.2Å; R456-E459 IonicContact NH1-OE2 3.72Å; R456-E459 PolarHBondContact NH1-OE2 2.79Å; R456-E459 PolarHBondContact O-N 2.68Å; R456-L460 HydrophobicContact CG-CD1 4.07Å; R456-L460 WeakPolarHBondContact O-CD1 3.43Å; R456-L460 WeakPolarHBondContact O-CG 3.28Å; R456-L460 PolarHBondContact O-N 2.95Å
457	F	96.4	Very high	95	Very high	33 Å²	33	57.3 Å²	57.3	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-44.8	177	174.6	-108.9	0	0	0	111.6	P393 D394 V452 D453 H454 D455 E459 L460 Q461 W467	P393-F457 HydrophobicContact CB-CD2 3.91Å; P393-F457 HydrophobicContact CB-CE2 3.91Å; P393-F457 HydrophobicContact CG-CD2 4.27Å; P393-F457 HydrophobicContact CG-CE2 3.75Å; P393-F457 HydrophobicContact CG-CZ 4.44Å; D394-F457 HydrophobicContact CB-CB 3.91Å; D394-F457 HydrophobicContact CB-CD1 3.93Å; D394-F457 HydrophobicContact CB-CG 3.98Å; D394-F457 WeakPolarHBondContact OD2-CD1 3.47Å; V452-F457 HydrophobicContact CB-CB 4.46Å; V452-F457 HydrophobicContact CG1-CB 3.94Å; D453-F457 VanDerWaalsContact O-CB 3.31Å; D453-F457 WeakPolarHBondContact O-CB 3.45Å; D453-F457 PolarHBondContact O-N 3.45Å; H454-F457 PolarHBondContact O-N 2.95Å; D455-F457 VanDerWaalsContact C-N 3.33Å; D455-F457 PolarHBondContact O-N 3.4Å; F457-E459 VanDerWaalsContact C-N 3.35Å; F457-E459 PolarHBondContact O-N 3.09Å; F457-L460 PolarHBondContact O-N 2.87Å; F457-Q461 HydrophobicContact CD1-CG 4.37Å; F457-Q461 HydrophobicContact CD2-CG 4.21Å; F457-Q461 HydrophobicContact CE1-CG 3.98Å; F457-Q461 HydrophobicContact CE2-CG 3.82Å; F457-Q461 HydrophobicContact CG-CG 4.48Å; F457-Q461 HydrophobicContact CZ-CG 3.69Å; F457-Q461 WeakPolarHBondContact O-CB 3.3Å; F457-Q461 VanDerWaalsContact O-CG 3.28Å; F457-Q461 WeakPolarHBondContact O-CG 3.41Å; F457-Q461 PolarHBondContact O-N 3.49Å; F457-W467 AromaticContact CD2-CZ2 3.94Å; F457-W467 HydrophobicContact CD2-CZ2 3.94Å; F457-W467 HydrophobicContact CE2-CZ2 4.03Å
458	I	96.4	Very high	94.9	Very high	70 Å²	70	59 Å²	59	36%	0.359	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-44.4	175.8	-70.7	172.3	0	0	0	110.9	H454 D455 L460 Q461 N462	H454-I458 VanDerWaalsContact NE2-CD1 3.3Å; H454-I458 WeakPolarHBondContact NE2-CD1 3.47Å; H454-I458 WeakPolarHBondContact O-CG1 3.38Å; H454-I458 PolarHBondContact O-N 3.48Å; D455-I458 PolarHBondContact O-N 3.29Å; I458-L460 PolarHBondContact O-N 2.86Å; I458-Q461 PolarHBondContact O-N 3.31Å; I458-N462 WeakPolarHBondContact CG2-ND2 3.23Å; I458-N462 WeakPolarHBondContact O-CB 3.4Å; I458-N462 VanDerWaalsContact O-CG 3.27Å; I458-N462 PolarHBondContact O-N 2.84Å; I458-N462 PolarHBondContact O-ND2 3.3Å
459	E	95.5	Very high	94.8	Very high	105 Å²	105	60.4 Å²	60.4	49%	0.491	30%	0.297	S	S	.	.	H	α-helix	trans	-56.7	-49.7	176.8	-171.4	-167.6	169.7	0	0	111.2	D455 R456 F457 Q461 N462 E463	D455-E459 PolarHBondContact O-N 3.05Å; R456-E459 WeakPolarHBondContact CD-OE2 3.47Å; R456-E459 IonicContact CZ-OE2 3.74Å; R456-E459 IonicContact NH1-OE1 2.74Å; R456-E459 PolarHBondContact NH1-OE1 3.2Å; R456-E459 IonicContact NH1-OE2 3.72Å; R456-E459 PolarHBondContact NH1-OE2 2.79Å; R456-E459 PolarHBondContact O-N 2.68Å; F457-E459 VanDerWaalsContact C-N 3.35Å; F457-E459 PolarHBondContact O-N 3.09Å; E459-Q461 PolarHBondContact O-N 3Å; E459-N462 PolarHBondContact O-N 3.11Å; E459-E463 PolarHBondContact O-N 2.86Å
460	L	94.8	Very high	94.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-43.1	178.7	-68.7	165.1	0	0	0	112.1	V222 V452 R456 F457 I458 N462 E463 T464 W467 Y473	V222-L460 HydrophobicContact CB-CD1 4.17Å; V222-L460 HydrophobicContact CG1-CD1 3.54Å; V222-L460 HydrophobicContact CG1-CD2 4.19Å; V222-L460 HydrophobicContact CG1-CG 4.5Å; V452-L460 HydrophobicContact CG1-CD1 4.4Å; R456-L460 HydrophobicContact CG-CD1 4.07Å; R456-L460 WeakPolarHBondContact O-CD1 3.43Å; R456-L460 WeakPolarHBondContact O-CG 3.28Å; R456-L460 PolarHBondContact O-N 2.95Å; F457-L460 PolarHBondContact O-N 2.87Å; I458-L460 PolarHBondContact O-N 2.86Å; L460-N462 VanDerWaalsContact C-N 3.27Å; L460-N462 PolarHBondContact O-N 2.7Å; L460-E463 PolarHBondContact O-N 2.78Å; L460-T464 CarbonylContact O-C 3.52Å; L460-T464 PolarHBondContact O-N 3.32Å; L460-W467 HydrophobicContact CB-CB 4.25Å; L460-W467 HydrophobicContact CB-CD2 4.1Å; L460-W467 HydrophobicContact CB-CG 3.82Å; L460-W467 HydrophobicContact CD1-CD2 4.01Å; L460-W467 HydrophobicContact CD1-CE3 3.94Å; L460-W467 HydrophobicContact CD1-CZ3 4.28Å; L460-W467 HydrophobicContact CD2-CB 4.3Å; L460-Y473 HydrophobicContact CD2-CD1 3.67Å; L460-Y473 HydrophobicContact CD2-CE1 3.14Å; L460-Y473 HydrophobicContact CD2-CE2 4.41Å; L460-Y473 HydrophobicContact CD2-CG 4.47Å
461	Q	93.7	Very high	94.1	Very high	57 Å²	57	63.1 Å²	63.1	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-34.5	177.4	-73.3	-66.5	-20.3	0	0	112.6	F457 I458 E459 W467	F457-Q461 HydrophobicContact CD1-CG 4.37Å; F457-Q461 HydrophobicContact CD2-CG 4.21Å; F457-Q461 HydrophobicContact CE1-CG 3.98Å; F457-Q461 HydrophobicContact CE2-CG 3.82Å; F457-Q461 HydrophobicContact CG-CG 4.48Å; F457-Q461 HydrophobicContact CZ-CG 3.69Å; F457-Q461 WeakPolarHBondContact O-CB 3.3Å; F457-Q461 VanDerWaalsContact O-CG 3.28Å; F457-Q461 WeakPolarHBondContact O-CG 3.41Å; F457-Q461 PolarHBondContact O-N 3.49Å; I458-Q461 PolarHBondContact O-N 3.31Å; E459-Q461 PolarHBondContact O-N 3Å; Q461-W467 VanDerWaalsContact NE2-NE1 3.18Å
462	N	95.1	Very high	93.8	Very high	135 Å²	135	68.6 Å²	68.6	72%	0.722	34%	0.335	S	S	*	.	H	α-helix	trans	-75.8	-33.9	176.2	-70.7	-30.4	0	0	0	112.4	I458 E459 L460	I458-N462 WeakPolarHBondContact CG2-ND2 3.23Å; I458-N462 WeakPolarHBondContact O-CB 3.4Å; I458-N462 VanDerWaalsContact O-CG 3.27Å; I458-N462 PolarHBondContact O-N 2.84Å; I458-N462 PolarHBondContact O-ND2 3.3Å; E459-N462 PolarHBondContact O-N 3.11Å; L460-N462 VanDerWaalsContact C-N 3.27Å; L460-N462 PolarHBondContact O-N 2.7Å
463	E	92.4	Very high	93.7	Very high	127 Å²	127	69.2 Å²	69.2	59%	0.593	34%	0.337	S	S	*	.	H	α-helix	trans	-71.9	-53.1	175.8	-174.6	-178.3	-169.5	0	0	111.3	E459 L460 Y473	E459-E463 PolarHBondContact O-N 2.86Å; L460-E463 PolarHBondContact O-N 2.78Å; E463-Y473 PolarHBondContact OE2-OH 3.47Å
464	T	92	Very high	93.7	Very high	46 Å²	46	64.6 Å²	64.6	28%	0.282	31%	0.312	S	S	.	.			trans	-160.3	125.7	177.9	178.1	0	0	0	0	112.2	L460 E466 W467 Y473	L460-T464 CarbonylContact O-C 3.52Å; L460-T464 PolarHBondContact O-N 3.32Å; T464-E466 PolarHBondContact O-N 3Å; T464-E466 VanDerWaalsContact O-N 3.16Å; T464-E466 PolarHBondContact OG1-N 3.42Å; T464-W467 HydrophobicContact CG2-CB 3.91Å; T464-W467 WeakPolarHBondContact O-CB 3.38Å; T464-W467 VanDerWaalsContact O-CD1 3.29Å; T464-W467 PolarHBondContact O-N 2.92Å; T464-Y473 HydrophobicContact CG2-CE2 4.42Å
465	K	90.1	Very high	93.8	Very high	161 Å²	161	60 Å²	60	70%	0.7	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.6	175.7	-65.2	-175.4	178.8	-178.3	0	113.5	W467	K465-W467 VanDerWaalsContact C-N 3.32Å
466	E	90.8	Very high	93.9	Very high	78 Å²	78	54.5 Å²	54.5	36%	0.364	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	11	-178.9	-62.7	-173.2	144.3	0	0	112.9	T464 W468 T469 T470	T464-E466 PolarHBondContact O-N 3Å; T464-E466 VanDerWaalsContact O-N 3.16Å; T464-E466 PolarHBondContact OG1-N 3.42Å; E466-W468 PolarHBondContact O-N 3.37Å; E466-T469 PolarHBondContact O-N 3.26Å; E466-T469 PolarHBondContact O-OG1 3.49Å; E466-T469 VanDerWaalsContact O-OG1 3.07Å; E466-T470 HydrophobicContact CB-CG2 3.83Å; E466-T470 WeakPolarHBondContact O-CG2 3.35Å; E466-T470 PolarHBondContact O-N 2.96Å
467	W	94.1	Very high	94	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-44.7	-174.2	66.6	-91.5	0	0	0	112.6	V222 P393 V452 F457 L460 Q461 T464 K465 T469 T470 Y473 F475	V222-W467 HydrophobicContact CG1-CE3 4.46Å; V222-W467 HydrophobicContact CG1-CZ3 4.43Å; V222-W467 HydrophobicContact CG2-CZ3 4.16Å; P393-W467 HydrophobicContact CB-CZ2 4.34Å; P393-W467 HydrophobicContact CG-CZ2 4.32Å; V452-W467 HydrophobicContact CG2-CH2 3.94Å; F457-W467 AromaticContact CD2-CZ2 3.94Å; F457-W467 HydrophobicContact CD2-CZ2 3.94Å; F457-W467 HydrophobicContact CE2-CZ2 4.03Å; L460-W467 HydrophobicContact CB-CB 4.25Å; L460-W467 HydrophobicContact CB-CD2 4.1Å; L460-W467 HydrophobicContact CB-CG 3.82Å; L460-W467 HydrophobicContact CD1-CD2 4.01Å; L460-W467 HydrophobicContact CD1-CE3 3.94Å; L460-W467 HydrophobicContact CD1-CZ3 4.28Å; L460-W467 HydrophobicContact CD2-CB 4.3Å; Q461-W467 VanDerWaalsContact NE2-NE1 3.18Å; T464-W467 HydrophobicContact CG2-CB 3.91Å; T464-W467 WeakPolarHBondContact O-CB 3.38Å; T464-W467 VanDerWaalsContact O-CD1 3.29Å; T464-W467 PolarHBondContact O-N 2.92Å; K465-W467 VanDerWaalsContact C-N 3.32Å; W467-T469 PolarHBondContact O-N 3.45Å; W467-T470 PolarHBondContact O-OG1 2.86Å; W467-T470 VanDerWaalsContact O-OG1 3.12Å; W467-Y473 HydrophobicContact CB-CD2 3.87Å; W467-Y473 HydrophobicContact CB-CE2 3.56Å; W467-Y473 WeakPolarHBondContact O-CD2 3.43Å; W467-F475 AromaticContact CH2-CZ 3.98Å; W467-F475 HydrophobicContact CH2-CZ 3.98Å; W467-F475 HydrophobicContact CZ3-CE2 4.08Å; W467-F475 AromaticContact CZ3-CZ 3.75Å; W467-F475 HydrophobicContact CZ3-CZ 3.75Å
468	W	94	Very high	94.1	Very high	49 Å²	49	50.8 Å²	50.8	19%	0.186	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.6	-179.9	55.2	-1.2	0	0	0	116.9	P393 A444 K445 S446 D447 E466	P393-W468 HydrophobicContact CG-CE3 4.01Å; P393-W468 HydrophobicContact CG-CH2 4.27Å; P393-W468 HydrophobicContact CG-CZ3 3.52Å; A444-W468 CarbonylContact C-O 3.55Å; A444-W468 HydrophobicContact CB-CB 4.29Å; A444-W468 WeakPolarHBondContact CB-O 3.46Å; A444-W468 CarbonylContact O-C 3.49Å; K445-W468 CarbonylContact C-O 3.59Å; K445-W468 PolarHBondContact N-O 3.25Å; K445-W468 VanDerWaalsContact N-O 3.09Å; S446-W468 CarbonylContact C-O 3.59Å; S446-W468 PolarHBondContact N-O 3.02Å; D447-W468 HydrophobicContact CB-CD2 4.18Å; D447-W468 HydrophobicContact CB-CH2 4.25Å; D447-W468 HydrophobicContact CB-CZ2 3.73Å; D447-W468 WeakPolarHBondContact O-CH2 3.46Å; D447-W468 WeakPolarHBondContact O-CZ3 3.29Å; E466-W468 PolarHBondContact O-N 3.37Å
469	T	92.6	Very high	94.2	Very high	30 Å²	30	47.4 Å²	47.4	18%	0.184	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-10.5	179.7	56.2	0	0	0	0	113.6	F13 D447 E466 W467	F13-T469 HydrophobicContact CB-CG2 4.04Å; F13-T469 HydrophobicContact CD2-CG2 4.34Å; F13-T469 HydrophobicContact CG-CG2 4.49Å; D447-T469 HydrophobicContact CB-CG2 4.02Å; E466-T469 PolarHBondContact O-N 3.26Å; E466-T469 PolarHBondContact O-OG1 3.49Å; E466-T469 VanDerWaalsContact O-OG1 3.07Å; W467-T469 PolarHBondContact O-N 3.45Å
470	T	89.4	Confident	94.2	Very high	50 Å²	50	42.4 Å²	42.4	31%	0.307	21%	0.206	S	C	.	.	S	Bend	trans	-80.1	-15.3	-173.7	57.7	0	0	0	0	115.1	E466 W467 K472	E466-T470 HydrophobicContact CB-CG2 3.83Å; E466-T470 WeakPolarHBondContact O-CG2 3.35Å; E466-T470 PolarHBondContact O-N 2.96Å; W467-T470 PolarHBondContact O-OG1 2.86Å; W467-T470 VanDerWaalsContact O-OG1 3.12Å; T470-K472 VanDerWaalsContact C-N 3.31Å; T470-K472 PolarHBondContact OG1-N 2.76Å
471	G	90.3	Very high	94.2	Very high	8 Å²	8	42.7 Å²	42.7	8%	0.082	21%	0.208	C	C	.	.	S	Bend	trans	76.8	12.6	-173.2	0	0	0	0	0	114.7	V443 A444	V443-G471 VanDerWaalsContact CG1-C 3.47Å; V443-G471 WeakPolarHBondContact CG1-O 3.49Å; A444-G471 VanDerWaalsContact O-CA 3.22Å; A444-G471 WeakPolarHBondContact O-CA 3.5Å; A444-G471 PolarHBondContact O-N 2.91Å
472	K	90.6	Very high	94.2	Very high	129 Å²	129	40.7 Å²	40.7	56%	0.561	20%	0.199	S	C	*	.			trans	-99.5	-8.7	-175.1	-67	-177.1	178	178.6	0	115.2	Q220 T470	Q220-K472 WeakPolarHBondContact CB-O 3.46Å; Q220-K472 PolarHBondContact NE2-O 3.04Å; T470-K472 VanDerWaalsContact C-N 3.31Å; T470-K472 PolarHBondContact OG1-N 2.76Å
473	Y	95.3	Very high	94.1	Very high	18 Å²	18	34.6 Å²	34.6	7%	0.071	17%	0.167	C	C	.	.			trans	-123.3	145.1	-173.2	-63.8	-87.7	0	0	0	110.8	Q220 V222 V443 A444 L460 E463 T464 W467	Q220-Y473 CarbonylContact O-C 3.57Å; Q220-Y473 VanDerWaalsContact O-CA 3.26Å; Q220-Y473 WeakPolarHBondContact O-CA 3.41Å; V222-Y473 HydrophobicContact CG1-CD1 3.59Å; V222-Y473 HydrophobicContact CG1-CG 4.01Å; V443-Y473 CarbonylContact C-O 3.53Å; V443-Y473 WeakPolarHBondContact CA-O 3.33Å; A444-Y473 WeakPolarHBondContact CB-O 3.45Å; A444-Y473 PolarHBondContact N-O 3.4Å; L460-Y473 HydrophobicContact CD2-CD1 3.67Å; L460-Y473 HydrophobicContact CD2-CE1 3.14Å; L460-Y473 HydrophobicContact CD2-CE2 4.41Å; L460-Y473 HydrophobicContact CD2-CG 4.47Å; E463-Y473 PolarHBondContact OE2-OH 3.47Å; T464-Y473 HydrophobicContact CG2-CE2 4.42Å; W467-Y473 HydrophobicContact CB-CD2 3.87Å; W467-Y473 HydrophobicContact CB-CE2 3.56Å; W467-Y473 WeakPolarHBondContact O-CD2 3.43Å
474	G	96.5	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.2	-170.4	0	0	0	0	0	113.6	W188 Q220 L221 V222	W188-G474 VanDerWaalsContact CH2-N 3.31Å; Q220-G474 PolarHBondContact O-N 2.96Å; L221-G474 WeakPolarHBondContact CA-O 3.16Å; V222-G474 WeakPolarHBondContact CG2-O 3.37Å; V222-G474 PolarHBondContact N-O 2.81Å
475	F	98.2	Very high	92.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.5	175.4	-68.6	-100.8	0	0	0	109.4	V222 V223 L441 R442 A444 V452 W467 Q477	V222-F475 HydrophobicContact CG2-CD1 3.84Å; V222-F475 HydrophobicContact CG2-CD2 3.76Å; V222-F475 HydrophobicContact CG2-CE1 3.54Å; V222-F475 HydrophobicContact CG2-CE2 3.43Å; V222-F475 VanDerWaalsContact CG2-CE2 3.43Å; V222-F475 HydrophobicContact CG2-CG 3.96Å; V222-F475 HydrophobicContact CG2-CZ 3.32Å; V223-F475 HydrophobicContact CB-CD1 3.87Å; V223-F475 HydrophobicContact CB-CE1 4.47Å; V223-F475 HydrophobicContact CG2-CD1 3.63Å; V223-F475 HydrophobicContact CG2-CE1 3.74Å; L441-F475 WeakPolarHBondContact CA-O 3.46Å; R442-F475 HydrophobicContact CB-CB 4.47Å; R442-F475 PolarHBondContact N-O 2.69Å; R442-F475 PolarHBondContact O-N 2.74Å; A444-F475 HydrophobicContact CB-CD2 4.28Å; A444-F475 HydrophobicContact CB-CE2 3.75Å; V452-F475 HydrophobicContact CG2-CE1 3.79Å; V452-F475 HydrophobicContact CG2-CZ 4.09Å; W467-F475 AromaticContact CH2-CZ 3.98Å; W467-F475 HydrophobicContact CH2-CZ 3.98Å; W467-F475 HydrophobicContact CZ3-CE2 4.08Å; W467-F475 AromaticContact CZ3-CZ 3.75Å; W467-F475 HydrophobicContact CZ3-CZ 3.75Å; F475-Q477 HydrophobicContact CB-CG 4.22Å; F475-Q477 HydrophobicContact CD1-CG 4.17Å
476	I	98.6	Very high	91.2	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	105.4	158.7	-57.3	175.8	0	0	0	105.3	L183 L187 L221 V223 D225 L441	L183-I476 HydrophobicContact CD2-CD1 3.96Å; L183-I476 HydrophobicContact CD2-CG2 4.07Å; L183-I476 HydrophobicContact CG-CD1 4.34Å; L187-I476 HydrophobicContact CD2-CD1 4.09Å; L187-I476 HydrophobicContact CD2-CG1 3.62Å; L221-I476 HydrophobicContact CD1-CD1 4.13Å; L221-I476 HydrophobicContact CD2-CD1 4.15Å; L221-I476 HydrophobicContact CD2-CG1 4.02Å; V223-I476 PolarHBondContact O-N 2.73Å; D225-I476 PolarHBondContact N-O 2.71Å; L441-I476 HydrophobicContact CD2-CB 4.2Å; L441-I476 HydrophobicContact CD2-CG1 3.95Å; L441-I476 HydrophobicContact CD2-CG2 3.88Å
477	Q	97.9	Very high	89	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.9	-173.8	-74.4	-168.8	-58.8	0	0	112.2	V223 D225 Y382 F403 V439 A440 V450 F475	V223-Q477 HydrophobicContact CB-CG 3.8Å; V223-Q477 HydrophobicContact CG1-CG 3.52Å; V223-Q477 HydrophobicContact CG2-CG 4.47Å; D225-Q477 WeakPolarHBondContact OD2-CA 3.23Å; Y382-Q477 PolarHBondContact OH-OE1 3.07Å; F403-Q477 HydrophobicContact CZ-CB 4.48Å; V439-Q477 CarbonylContact C-O 3.51Å; V439-Q477 VanDerWaalsContact CA-O 3.28Å; V439-Q477 WeakPolarHBondContact CA-O 3.35Å; A440-Q477 PolarHBondContact N-O 2.74Å; A440-Q477 PolarHBondContact O-N 2.84Å; V450-Q477 PolarHBondContact O-NE2 3.47Å; F475-Q477 HydrophobicContact CB-CG 4.22Å; F475-Q477 HydrophobicContact CD1-CG 4.17Å
478	I	98.2	Very high	88.7	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.9	165.1	-64.8	168.2	0	0	0	107.6	D225 A228 L229 P428 M437 V439 I482	D225-I478 HydrophobicContact CB-CB 4.41Å; D225-I478 HydrophobicContact CB-CD1 4.1Å; D225-I478 HydrophobicContact CB-CG1 3.95Å; D225-I478 PolarHBondContact OD2-N 2.92Å; A228-I478 HydrophobicContact CB-CD1 3.77Å; L229-I478 HydrophobicContact CB-CD1 4.36Å; P428-I478 HydrophobicContact CB-CB 3.83Å; P428-I478 HydrophobicContact CB-CD1 3.53Å; P428-I478 HydrophobicContact CB-CG1 4.25Å; P428-I478 HydrophobicContact CB-CG2 3.92Å; P428-I478 HydrophobicContact CG-CB 3.9Å; P428-I478 HydrophobicContact CG-CD1 3.95Å; P428-I478 HydrophobicContact CG-CG1 4.39Å; P428-I478 HydrophobicContact CG-CG2 4.47Å; M437-I478 HydrophobicContact CE-CD1 4.26Å; M437-I478 HydrophobicContact CE-CG2 4.49Å; M437-I478 HydrophobicContact CG-CG2 4.3Å; M437-I478 HydrophobicContact SD-CD1 3.94Å; M437-I478 HydrophobicContact SD-CG1 4.23Å; M437-I478 HydrophobicContact SD-CG2 4.48Å; V439-I478 HydrophobicContact CG2-CG1 4.23Å; I478-I482 WeakPolarHBondContact O-CG2 3.35Å
479	V	97.7	Very high	88.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-42.6	-179.3	178.8	0	0	0	0	111	L385 F403 V406 V438 A440	L385-V479 HydrophobicContact CD1-CG2 4.15Å; L385-V479 HydrophobicContact CD2-CG1 4.3Å; F403-V479 HydrophobicContact CB-CG1 4.02Å; F403-V479 WeakPolarHBondContact CB-O 3.36Å; F403-V479 HydrophobicContact CD1-CB 4.42Å; F403-V479 HydrophobicContact CD1-CG1 3.73Å; F403-V479 HydrophobicContact CD1-CG2 4.4Å; F403-V479 HydrophobicContact CD2-CB 4.47Å; F403-V479 HydrophobicContact CD2-CG1 4.36Å; F403-V479 HydrophobicContact CE1-CG1 4.26Å; F403-V479 HydrophobicContact CE1-CG2 4.09Å; F403-V479 HydrophobicContact CE2-CG2 4.47Å; F403-V479 HydrophobicContact CG-CB 4.37Å; F403-V479 HydrophobicContact CG-CG1 3.79Å; F403-V479 HydrophobicContact CZ-CG2 4.15Å; V406-V479 HydrophobicContact CB-CG1 4.36Å; V438-V479 HydrophobicContact CB-CB 4.39Å; V438-V479 HydrophobicContact CG1-CB 4.08Å; V438-V479 PolarHBondContact O-N 3.12Å; A440-V479 HydrophobicContact CB-CG2 4.1Å
480	S	96.3	Very high	88.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	138.8	176.6	178.7	0	0	0	0	110.3	V406 Q407 R410 M437 V438	V406-S480 WeakPolarHBondContact O-CB 3.49Å; Q407-S480 PolarHBondContact OE1-OG 3.31Å; R410-S480 PolarHBondContact NE-OG 3.01Å; M437-S480 CarbonylContact C-O 3.4Å; M437-S480 WeakPolarHBondContact CA-O 3.33Å; V438-S480 PolarHBondContact N-O 2.9Å; V438-S480 PolarHBondContact O-N 2.82Å
481	P	94.7	Very high	88.1	Confident	6 Å²	6	31.5 Å²	31.5	4%	0.039	20%	0.201	C	C	.	.	S	Bend	cis	-84	143.1	-3	22.2	-12.2	0	0	0	112.2	I429 C432	I429-P481 HydrophobicContact CB-CB 4.15Å; I429-P481 HydrophobicContact CB-CG 4.06Å; I429-P481 HydrophobicContact CD1-CB 4.31Å; I429-P481 HydrophobicContact CG1-CB 4.46Å; I429-P481 PolarHBondContact N-O 3.29Å; C432-P481 HydrophobicContact CB-CB 4.4Å; C432-P481 HydrophobicContact CB-CG 3.54Å
482	I	93.9	Very high	88	Confident	15 Å²	15	33 Å²	33	8%	0.077	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-119.1	157.9	167	58	159.2	0	0	0	109.8	I400 F403 D427 I478 S484	I400-I482 HydrophobicContact CG1-CD1 4.29Å; F403-I482 HydrophobicContact CB-CD1 3.8Å; F403-I482 HydrophobicContact CB-CG1 4.41Å; F403-I482 HydrophobicContact CD2-CD1 4.02Å; F403-I482 HydrophobicContact CD2-CG2 4.3Å; F403-I482 HydrophobicContact CG-CD1 4.41Å; D427-I482 CarbonylContact O-C 3.46Å; D427-I482 WeakPolarHBondContact O-CA 3.47Å; I478-I482 WeakPolarHBondContact O-CG2 3.35Å; I482-S484 PolarHBondContact O-N 3.32Å
483	V	92.4	Very high	87.8	Confident	7 Å²	7	26.6 Å²	26.6	4%	0.042	19%	0.185	C	C	.	.			trans	-69	116.3	171.1	-179.9	0	0	0	0	108.7	L420 P423 K424 L425 G426 D427 I429	L420-V483 HydrophobicContact CD1-CG2 3.74Å; P423-V483 HydrophobicContact CB-CG1 3.79Å; P423-V483 HydrophobicContact CB-CG2 4.07Å; K424-V483 WeakPolarHBondContact O-CB 3.47Å; K424-V483 WeakPolarHBondContact O-CG1 3.32Å; L425-V483 HydrophobicContact CD2-CG1 4.27Å; G426-V483 PolarHBondContact N-O 3.09Å; D427-V483 HydrophobicContact CB-CG2 4.47Å; D427-V483 PolarHBondContact O-N 3.41Å; I429-V483 HydrophobicContact CD1-CG2 4.1Å; I429-V483 HydrophobicContact CG1-CG2 3.8Å
484	S	85.4	Confident	87.3	Confident	30 Å²	30	27.2 Å²	27.2	21%	0.21	19%	0.193	C	C	.	.			trans	-115.7	159.3	167.4	61.6	0	0	0	0	109.7	I482 A486	I482-S484 PolarHBondContact O-N 3.32Å; S484-A486 PolarHBondContact O-N 3.43Å
485	S	71.4	Confident	86.6	Confident	85 Å²	85	29.3 Å²	29.3	59%	0.594	21%	0.208	S	C	*	.			trans	-55.4	127.1	166	52.5	0	0	0	0	107.2	S487	S485-S487 PolarHBondContact O-N 2.88Å; S485-S487 VanDerWaalsContact O-N 3.1Å
486	A	56.4	Low	85.6	Confident	68 Å²	68	31.8 Å²	31.8	56%	0.562	23%	0.226	S	C	*	.			trans	-52.7	123.4	177.2	0	0	0	0	0	108.4	S484	S484-A486 PolarHBondContact O-N 3.43Å
487	S	45	Very low	84.5	Confident	167 Å²	167	34.5 Å²	34.5	100%	1.168	25%	0.245	S	C	*	.			trans	-53.5	0	167.5	54.7	0	0	0	0	111.4	S485	S485-S487 PolarHBondContact O-N 2.88Å; S485-S487 VanDerWaalsContact O-N 3.1Å

Retrieved 487 of 487 residues in 388 ms (Link to these results)

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