A0A096LXX2_POEFO 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 A0A096LXX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 456 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	L	31.7	Very low	29.1	Very low	217 Å²	217	129.6 Å²	129.6	100%	1.136	82%	0.821	S	S	*	*				0	70.4	0	-72.5	155.4	0	0	0	107.3
2	T	29.9	Very low	29.8	Very low	130 Å²	130	129.1 Å²	129.1	80%	0.798	81%	0.805	S	S	*	*				64	102.8	93.3	53.7	0	0	0	0	113.7
3	S	25.8	Very low	30.6	Very low	107 Å²	107	124.8 Å²	124.8	75%	0.748	80%	0.802	S	S	*	*				-169.7	118.4	100.9	69.9	0	0	0	0	110.6
4	A	30.7	Very low	32.4	Very low	95 Å²	95	126.7 Å²	126.7	79%	0.785	79%	0.787	S	S	*	*			trans	-69.5	129	158.6	0	0	0	0	0	108.3
5	T	28.6	Very low	35.6	Very low	123 Å²	123	122.3 Å²	122.3	76%	0.755	78%	0.776	S	S	*	*			trans	-103.6	91.9	165	-40.2	0	0	0	0	106.8	M7	T5-M7 PolarHBondContact O-N 3.09Å; T5-M7 VanDerWaalsContact O-N 3.09Å
6	T	26.7	Very low	39.1	Very low	127 Å²	127	119.4 Å²	119.4	78%	0.779	76%	0.756	S	S	*	*			trans	-59.1	104.9	166	-35.3	0	0	0	0	107.2	A8	T6-A8 PolarHBondContact O-N 3.1Å; T6-A8 VanDerWaalsContact O-N 3.1Å
7	M	27.1	Very low	42.4	Very low	176 Å²	176	114.2 Å²	114.2	87%	0.867	72%	0.724	S	S	*	*			trans	-69.4	107.8	168	-73.3	-148.9	-71.1	0	0	107.4	T5 A9	T5-M7 PolarHBondContact O-N 3.09Å; T5-M7 VanDerWaalsContact O-N 3.09Å; M7-A9 PolarHBondContact O-N 3.08Å
8	A	27.9	Very low	45.3	Very low	90 Å²	90	112.8 Å²	112.8	74%	0.744	72%	0.718	S	S	*	*			trans	-50.3	127.3	168.2	0	0	0	0	0	109	T6 G10	T6-A8 PolarHBondContact O-N 3.1Å; T6-A8 VanDerWaalsContact O-N 3.1Å; A8-G10 PolarHBondContact O-N 3.32Å; A8-G10 VanDerWaalsContact O-N 3.08Å
9	A	30.6	Very low	48	Very low	101 Å²	101	107.9 Å²	107.9	84%	0.835	69%	0.688	S	S	*	*			trans	-53.8	115.7	170.6	0	0	0	0	0	108.4	M7 Q11	M7-A9 PolarHBondContact O-N 3.08Å; A9-Q11 PolarHBondContact O-N 3.27Å
10	G	27.4	Very low	50.4	Low	65 Å²	65	103.9 Å²	103.9	67%	0.67	66%	0.66	S	S	*	*			trans	-60.1	121.9	-178.4	0	0	0	0	0	110.8	A8 I12	A8-G10 PolarHBondContact O-N 3.32Å; A8-G10 VanDerWaalsContact O-N 3.08Å; G10-I12 VanDerWaalsContact C-N 3.3Å; G10-I12 PolarHBondContact O-N 3.41Å
11	Q	33.2	Very low	52.6	Low	195 Å²	195	99.8 Å²	99.8	91%	0.911	64%	0.635	S	S	*	*			trans	-59.1	99.5	150.5	-77	176.1	-31.9	0	0	106.9	A9 G13	A9-Q11 PolarHBondContact O-N 3.27Å; Q11-G13 VanDerWaalsContact C-N 3.32Å; Q11-G13 PolarHBondContact O-N 3.32Å
12	I	38.3	Very low	55.6	Low	123 Å²	123	89.6 Å²	89.6	63%	0.631	58%	0.582	S	S	*	*			trans	-66.7	101.9	162.5	-62	174.4	0	0	0	104.7	G10 Y14	G10-I12 VanDerWaalsContact C-N 3.3Å; G10-I12 PolarHBondContact O-N 3.41Å; I12-Y14 VanDerWaalsContact C-N 3.29Å; I12-Y14 HydrophobicContact CB-CE2 4.31Å; I12-Y14 HydrophobicContact CG2-CE1 4.22Å; I12-Y14 HydrophobicContact CG2-CE2 4.22Å; I12-Y14 WeakPolarHBondContact O-CD2 3.03Å; I12-Y14 PolarHBondContact O-N 3.24Å
13	G	39.9	Very low	58.6	Low	74 Å²	74	88.9 Å²	88.9	76%	0.763	57%	0.568	S	S	*	*			trans	-64.6	91.8	174	0	0	0	0	0	109.1	Q11 G15	Q11-G13 VanDerWaalsContact C-N 3.32Å; Q11-G13 PolarHBondContact O-N 3.32Å; G13-G15 PolarHBondContact O-N 3.08Å
14	Y	55.9	Low	61.8	Low	151 Å²	151	88.2 Å²	88.2	59%	0.592	56%	0.559	S	S	*	*			trans	-65.8	104.7	167.1	-67.1	-77.4	0	0	0	107	I12	I12-Y14 VanDerWaalsContact C-N 3.29Å; I12-Y14 HydrophobicContact CB-CE2 4.31Å; I12-Y14 HydrophobicContact CG2-CE1 4.22Å; I12-Y14 HydrophobicContact CG2-CE2 4.22Å; I12-Y14 WeakPolarHBondContact O-CD2 3.03Å; I12-Y14 PolarHBondContact O-N 3.24Å
15	G	79.6	Confident	64.7	Low	61 Å²	61	88.9 Å²	88.9	63%	0.629	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-56.7	151.4	169	0	0	0	0	0	110.4	G13 P17	G13-G15 PolarHBondContact O-N 3.08Å; G15-P17 VanDerWaalsContact O-CD 3.28Å; G15-P17 WeakPolarHBondContact O-CD 3.3Å
16	V	92	Very high	67.6	Low	76 Å²	76	85.5 Å²	85.5	46%	0.461	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-61.2	121	179.5	-178.7	0	0	0	0	109.5	R390	V16-R390 HydrophobicContact CG1-CG 4.5Å
17	P	95.7	Very high	70.7	Confident	31 Å²	31	80.6 Å²	80.6	20%	0.201	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-66.5	163.1	179.8	-20.8	32.6	0	0	0	113	G15 R390 A391 W392	G15-P17 VanDerWaalsContact O-CD 3.28Å; G15-P17 WeakPolarHBondContact O-CD 3.3Å; P17-R390 HydrophobicContact CB-CB 4.29Å; P17-R390 PolarHBondContact O-NH1 3Å; P17-A391 HydrophobicContact CB-CB 4.45Å; P17-W392 VanDerWaalsContact CD-CE3 3.44Å; P17-W392 VanDerWaalsContact CD-CH2 3.47Å; P17-W392 HydrophobicContact CG-CD2 3.86Å; P17-W392 HydrophobicContact CG-CE3 3.49Å; P17-W392 VanDerWaalsContact CG-CE3 3.49Å; P17-W392 HydrophobicContact CG-CG 4.46Å; P17-W392 HydrophobicContact CG-CH2 4.44Å; P17-W392 HydrophobicContact CG-CZ3 3.83Å
18	S	94.7	Very high	73.9	Confident	88 Å²	88	73.1 Å²	73.1	62%	0.615	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-61.4	147.6	172.5	56.4	0	0	0	0	111.5	A391	S18-A391 PolarHBondContact O-N 3.08Å
19	S	96.3	Very high	77.1	Confident	21 Å²	21	69 Å²	69	15%	0.147	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-60.2	146.1	169.5	-55.3	0	0	0	0	111.4	D389 R390	S19-D389 WeakPolarHBondContact CA-O 3.18Å; S19-R390 PolarHBondContact OG-NE 2.82Å; S19-R390 PolarHBondContact OG-NH1 3.26Å; S19-R390 VanDerWaalsContact OG-NH1 3.11Å
20	L	96.8	Very high	80.3	Confident	27 Å²	27	66.4 Å²	66.4	14%	0.141	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-58.9	138.3	162.5	-60.5	-178.6	0	0	0	108.5	W124 D389 A391 N419 V420	L20-W124 HydrophobicContact CB-CE3 4.14Å; L20-W124 HydrophobicContact CD1-CE3 4.19Å; L20-W124 HydrophobicContact CD1-CZ3 4.26Å; L20-W124 WeakPolarHBondContact O-CB 3.37Å; L20-W124 PolarHBondContact O-N 3Å; L20-D389 WeakPolarHBondContact CG-O 3.44Å; L20-D389 PolarHBondContact N-O 3.21Å; L20-A391 HydrophobicContact CD2-CB 4.15Å; L20-N419 HydrophobicContact CD1-CB 4.27Å; L20-V420 HydrophobicContact CD1-CB 4.3Å
21	S	95.4	Very high	83.5	Confident	17 Å²	17	66.3 Å²	66.3	12%	0.119	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-157	163.6	-178.9	63.8	0	0	0	0	110.5	K23 S122	S21-K23 PolarHBondContact O-N 3.45Å; S21-S122 WeakPolarHBondContact CB-O 3.33Å
22	A	95.9	Very high	86.5	Confident	3 Å²	3	57.2 Å²	57.2	3%	0.025	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	1.3	173.8	0	0	0	0	0	114	V24 Y30 I33 F120	A22-V24 PolarHBondContact O-N 3.38Å; A22-Y30 HydrophobicContact CB-CD2 4.13Å; A22-Y30 WeakPolarHBondContact O-CD2 3.35Å; A22-I33 HydrophobicContact CB-CB 4.28Å; A22-I33 HydrophobicContact CB-CD1 3.49Å; A22-I33 VanDerWaalsContact CB-CD1 3.49Å; A22-I33 HydrophobicContact CB-CG1 4.45Å; A22-F120 CarbonylContact C-O 3.5Å; A22-F120 VanDerWaalsContact C-O 3.23Å; A22-F120 HydrophobicContact CB-CB 4.22Å; A22-F120 HydrophobicContact CB-CD1 3.75Å; A22-F120 HydrophobicContact CB-CE1 4.48Å; A22-F120 HydrophobicContact CB-CG 4.25Å
23	K	93.1	Very high	89.3	Confident	115 Å²	115	51.3 Å²	51.3	50%	0.5	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.3	171.7	-63.5	-167.6	-170.1	-168.9	0	111.9	S21 T25 F120 K121	S21-K23 PolarHBondContact O-N 3.45Å; K23-T25 PolarHBondContact O-N 3.05Å; K23-F120 PolarHBondContact N-O 2.94Å; K23-F120 VanDerWaalsContact N-O 3.08Å; K23-K121 WeakPolarHBondContact CE-O 3.35Å
24	V	92.3	Very high	92.1	Very high	94 Å²	94	52.8 Å²	52.8	57%	0.57	31%	0.305	S	S	*	.	S	Bend	trans	-88.1	95.2	177.3	-173.9	0	0	0	0	108.7	A22 G26 S27 Y30	A22-V24 PolarHBondContact O-N 3.38Å; V24-G26 PolarHBondContact O-N 2.73Å; V24-S27 WeakPolarHBondContact O-CB 3.37Å; V24-S27 PolarHBondContact O-N 3.42Å; V24-S27 VanDerWaalsContact O-N 3.09Å; V24-S27 PolarHBondContact O-OG 2.91Å; V24-Y30 WeakPolarHBondContact O-CB 3.31Å
25	T	92.3	Very high	93.9	Very high	108 Å²	108	48.9 Å²	48.9	66%	0.663	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	133.6	176.8	-52.8	0	0	0	0	110.9	K23 S27 Y30	K23-T25 PolarHBondContact O-N 3.05Å; T25-S27 VanDerWaalsContact C-N 3.27Å; T25-S27 PolarHBondContact O-N 3.02Å; T25-Y30 HydrophobicContact CG2-CD1 4.4Å; T25-Y30 HydrophobicContact CG2-CE1 3.99Å; T25-Y30 HydrophobicContact CG2-CE2 4.44Å
26	G	87.8	Confident	94.7	Very high	52 Å²	52	49 Å²	49	54%	0.536	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-7.9	-178.4	0	0	0	0	0	115	V24	V24-G26 PolarHBondContact O-N 2.73Å
27	S	92.6	Very high	95	Very high	25 Å²	25	45.4 Å²	45.4	18%	0.175	25%	0.254	C	S	.	.	S	Bend	trans	-63.8	158.7	167.2	67.4	0	0	0	0	111.3	V24 T25 A29 Y30 L31	V24-S27 WeakPolarHBondContact O-CB 3.37Å; V24-S27 PolarHBondContact O-N 3.42Å; V24-S27 VanDerWaalsContact O-N 3.09Å; V24-S27 PolarHBondContact O-OG 2.91Å; T25-S27 VanDerWaalsContact C-N 3.27Å; T25-S27 PolarHBondContact O-N 3.02Å; S27-A29 VanDerWaalsContact C-N 3.27Å; S27-A29 PolarHBondContact O-N 2.8Å; S27-Y30 WeakPolarHBondContact O-CB 3.47Å; S27-Y30 PolarHBondContact O-N 3.16Å; S27-Y30 VanDerWaalsContact O-N 3.16Å; S27-Y30 WeakPolarHBondContact OG-CB 3.33Å; S27-Y30 PolarHBondContact OG-N 3.24Å; S27-Y30 VanDerWaalsContact OG-N 3.16Å; S27-L31 WeakPolarHBondContact O-CG 3.25Å; S27-L31 PolarHBondContact O-N 3.13Å
28	F	93.8	Very high	95.1	Very high	19 Å²	19	44.4 Å²	44.4	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-36.1	175.3	-171.8	-104.8	0	0	0	112.4	Y30 L31 T32 R36 W124 K417 N419 T441	F28-Y30 VanDerWaalsContact C-N 3.33Å; F28-Y30 PolarHBondContact O-N 3.46Å; F28-L31 PolarHBondContact O-N 2.86Å; F28-T32 WeakPolarHBondContact O-CB 3.38Å; F28-T32 PolarHBondContact O-N 3.12Å; F28-T32 PolarHBondContact O-OG1 3.27Å; F28-R36 VanDerWaalsContact CE2-NH2 3.32Å; F28-R36 VanDerWaalsContact CZ-CZ 3.48Å; F28-W124 AromaticContact CD1-CH2 3.6Å; F28-W124 HydrophobicContact CD1-CH2 3.6Å; F28-W124 HydrophobicContact CD1-CZ2 4.11Å; F28-W124 HydrophobicContact CD1-CZ3 4.3Å; F28-W124 AromaticContact CE1-CH2 3.84Å; F28-W124 HydrophobicContact CE1-CH2 3.84Å; F28-W124 HydrophobicContact CE1-CZ2 4.19Å; F28-K417 WeakPolarHBondContact CE1-O 3.43Å; F28-K417 WeakPolarHBondContact CZ-O 3.46Å; F28-N419 WeakPolarHBondContact CB-OD1 3.45Å; F28-N419 PolarHBondContact N-OD1 3.44Å; F28-T441 HydrophobicContact CB-CG2 3.78Å; F28-T441 HydrophobicContact CD1-CG2 3.77Å; F28-T441 HydrophobicContact CD2-CG2 3.52Å; F28-T441 HydrophobicContact CE1-CG2 4.12Å; F28-T441 HydrophobicContact CE2-CG2 3.87Å; F28-T441 HydrophobicContact CG-CG2 3.42Å; F28-T441 VanDerWaalsContact CG-CG2 3.42Å; F28-T441 HydrophobicContact CZ-CG2 4.11Å
29	A	96.1	Very high	95.2	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-57.8	-45.5	173.3	0	0	0	0	0	111.6	S27 T32 I33 W124	S27-A29 VanDerWaalsContact C-N 3.27Å; S27-A29 PolarHBondContact O-N 2.8Å; A29-T32 PolarHBondContact O-N 3.06Å; A29-I33 WeakPolarHBondContact O-CB 3.5Å; A29-I33 WeakPolarHBondContact O-CG1 3.4Å; A29-I33 PolarHBondContact O-N 3.08Å; A29-W124 HydrophobicContact CB-CB 3.92Å; A29-W124 HydrophobicContact CB-CD2 3.61Å; A29-W124 HydrophobicContact CB-CE3 3.73Å; A29-W124 HydrophobicContact CB-CG 3.71Å
30	Y	96.9	Very high	95.3	Very high	47 Å²	47	42.5 Å²	42.5	18%	0.184	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-46.3	174.9	176.6	-95.9	0	0	0	112.3	A22 V24 T25 S27 F28 T32 I33 R34 F120	A22-Y30 HydrophobicContact CB-CD2 4.13Å; A22-Y30 WeakPolarHBondContact O-CD2 3.35Å; V24-Y30 WeakPolarHBondContact O-CB 3.31Å; T25-Y30 HydrophobicContact CG2-CD1 4.4Å; T25-Y30 HydrophobicContact CG2-CE1 3.99Å; T25-Y30 HydrophobicContact CG2-CE2 4.44Å; S27-Y30 WeakPolarHBondContact O-CB 3.47Å; S27-Y30 PolarHBondContact O-N 3.16Å; S27-Y30 VanDerWaalsContact O-N 3.16Å; S27-Y30 WeakPolarHBondContact OG-CB 3.33Å; S27-Y30 PolarHBondContact OG-N 3.24Å; S27-Y30 VanDerWaalsContact OG-N 3.16Å; F28-Y30 VanDerWaalsContact C-N 3.33Å; F28-Y30 PolarHBondContact O-N 3.46Å; Y30-T32 VanDerWaalsContact C-N 3.35Å; Y30-I33 PolarHBondContact O-N 3.02Å; Y30-R34 WeakPolarHBondContact O-CB 3.47Å; Y30-R34 PolarHBondContact O-N 3.03Å; Y30-F120 AromaticContact CD2-CD1 3.85Å; Y30-F120 HydrophobicContact CD2-CD1 3.85Å; Y30-F120 AromaticContact CD2-CE1 3.86Å; Y30-F120 HydrophobicContact CD2-CE1 3.86Å; Y30-F120 AromaticContact CE2-CD1 3.77Å; Y30-F120 HydrophobicContact CE2-CD1 3.77Å; Y30-F120 AromaticContact CE2-CE1 3.61Å; Y30-F120 HydrophobicContact CE2-CE1 3.61Å
31	L	95.6	Very high	95.4	Very high	62 Å²	62	41.2 Å²	41.2	33%	0.325	22%	0.224	S	C	.	.	H	α-helix	trans	-65	-38.8	178.4	-64.6	175.5	0	0	0	112.1	S27 F28 D35	S27-L31 WeakPolarHBondContact O-CG 3.25Å; S27-L31 PolarHBondContact O-N 3.13Å; F28-L31 PolarHBondContact O-N 2.86Å; L31-D35 WeakPolarHBondContact O-CB 3.49Å; L31-D35 PolarHBondContact O-N 3.08Å
32	T	95.8	Very high	95.5	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.025	24%	0.236	C	C	.	.	I	π-helix	trans	-63.7	-49.2	176.5	-65.7	0	0	0	0	111.2	F28 A29 Y30 R36 M37 W124	F28-T32 WeakPolarHBondContact O-CB 3.38Å; F28-T32 PolarHBondContact O-N 3.12Å; F28-T32 PolarHBondContact O-OG1 3.27Å; A29-T32 PolarHBondContact O-N 3.06Å; Y30-T32 VanDerWaalsContact C-N 3.35Å; T32-R36 HydrophobicContact CG2-CB 4.31Å; T32-R36 WeakPolarHBondContact O-CB 3.42Å; T32-R36 PolarHBondContact O-N 3.41Å; T32-M37 HydrophobicContact CG2-CG 4.34Å; T32-M37 PolarHBondContact O-N 3.05Å; T32-W124 HydrophobicContact CG2-CZ2 4.03Å
33	I	97.4	Very high	95.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-66.4	-43.6	179.2	-68.3	160.4	0	0	0	110.9	A22 A29 Y30 M37 P38 L81 W119 F120 W124 V127	A22-I33 HydrophobicContact CB-CB 4.28Å; A22-I33 HydrophobicContact CB-CD1 3.49Å; A22-I33 VanDerWaalsContact CB-CD1 3.49Å; A22-I33 HydrophobicContact CB-CG1 4.45Å; A29-I33 WeakPolarHBondContact O-CB 3.5Å; A29-I33 WeakPolarHBondContact O-CG1 3.4Å; A29-I33 PolarHBondContact O-N 3.08Å; Y30-I33 PolarHBondContact O-N 3.02Å; I33-M37 HydrophobicContact CB-SD 4.16Å; I33-M37 HydrophobicContact CG1-SD 3.64Å; I33-P38 VanDerWaalsContact O-CD 3.32Å; I33-P38 WeakPolarHBondContact O-CD 3.48Å; I33-L81 WeakPolarHBondContact O-CD2 3.45Å; I33-W119 HydrophobicContact CG2-CB 4.49Å; I33-F120 HydrophobicContact CG2-CD1 4.41Å; I33-F120 HydrophobicContact CG2-CD2 4.16Å; I33-F120 HydrophobicContact CG2-CE1 4.13Å; I33-F120 HydrophobicContact CG2-CE2 3.88Å; I33-F120 HydrophobicContact CG2-CG 4.42Å; I33-F120 HydrophobicContact CG2-CZ 3.86Å; I33-W124 HydrophobicContact CD1-CG 4.46Å; I33-V127 HydrophobicContact CD1-CG2 3.6Å; I33-V127 HydrophobicContact CG1-CG2 4.06Å
34	R	97.3	Very high	95.8	Very high	104 Å²	104	40.9 Å²	40.9	39%	0.392	23%	0.225	S	C	.	.	I	π-helix	trans	-69.9	-43.5	-177.5	-171.3	-168.5	68.9	-171.9	-4.9	113.5	Y30 P38 F120	Y30-R34 WeakPolarHBondContact O-CB 3.47Å; Y30-R34 PolarHBondContact O-N 3.03Å; R34-P38 WeakPolarHBondContact O-CG 3.2Å; R34-F120 HydrophobicContact CB-CE1 4.15Å; R34-F120 HydrophobicContact CB-CZ 4.17Å
35	D	95.3	Very high	96.1	Very high	69 Å²	69	37.4 Å²	37.4	37%	0.369	20%	0.203	S	C	.	.	I	π-helix	trans	-112.9	-48.3	-167.1	-56.1	-28.2	0	0	0	112.9	L31 T39	L31-D35 WeakPolarHBondContact O-CB 3.49Å; L31-D35 PolarHBondContact O-N 3.08Å; D35-T39 PolarHBondContact O-N 3.14Å; D35-T39 PolarHBondContact O-OG1 3.43Å
36	R	95.6	Very high	96.4	Very high	64 Å²	64	35.9 Å²	35.9	24%	0.242	19%	0.191	C	C	.	.	I	π-helix	trans	-75.3	-48.4	-171.1	-61	-176.3	177.5	-163.1	-3.2	112.3	F28 T32 T39 I40	F28-R36 VanDerWaalsContact CE2-NH2 3.32Å; F28-R36 VanDerWaalsContact CZ-CZ 3.48Å; T32-R36 HydrophobicContact CG2-CB 4.31Å; T32-R36 WeakPolarHBondContact O-CB 3.42Å; T32-R36 PolarHBondContact O-N 3.41Å; R36-T39 WeakPolarHBondContact O-CA 3.3Å; R36-T39 WeakPolarHBondContact O-CB 3.19Å; R36-T39 PolarHBondContact O-N 2.75Å; R36-I40 WeakPolarHBondContact O-CG1 3.34Å; R36-I40 PolarHBondContact O-N 3.06Å
37	M	98.1	Very high	96.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-44.1	-179.4	-71	175.3	71	0	0	112.3	T32 I33 T39 I40 L41 L81 W119 E128 M131	T32-M37 HydrophobicContact CG2-CG 4.34Å; T32-M37 PolarHBondContact O-N 3.05Å; I33-M37 HydrophobicContact CB-SD 4.16Å; I33-M37 HydrophobicContact CG1-SD 3.64Å; M37-T39 VanDerWaalsContact C-N 3.31Å; M37-T39 PolarHBondContact O-N 2.91Å; M37-I40 PolarHBondContact O-N 2.89Å; M37-L41 PolarHBondContact O-N 3.08Å; M37-L81 HydrophobicContact CB-CD1 3.66Å; M37-L81 HydrophobicContact CE-CD1 3.83Å; M37-L81 HydrophobicContact SD-CD1 4.49Å; M37-W119 HydrophobicContact CE-CE3 4.25Å; M37-W119 HydrophobicContact CE-CZ3 3.97Å; M37-E128 HydrophobicContact SD-CG 4.44Å; M37-M131 HydrophobicContact CB-SD 3.65Å; M37-M131 HydrophobicContact CE-CB 3.47Å; M37-M131 VanDerWaalsContact CE-CB 3.47Å; M37-M131 HydrophobicContact CE-CE 4.21Å; M37-M131 HydrophobicContact CE-CG 3.91Å; M37-M131 HydrophobicContact CE-SD 3.48Å; M37-M131 WeakPolarHBondContact CE-SD 3.3Å; M37-M131 HydrophobicContact CG-CE 4.26Å; M37-M131 HydrophobicContact CG-SD 3.89Å
38	P	98.2	Very high	97.1	Very high	9 Å²	9	33 Å²	33	6%	0.058	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-35.2	171.3	-29.7	38.8	0	0	0	114.5	I33 R34 T42 R78 L81 Q82	I33-P38 VanDerWaalsContact O-CD 3.32Å; I33-P38 WeakPolarHBondContact O-CD 3.48Å; R34-P38 WeakPolarHBondContact O-CG 3.2Å; P38-T42 WeakPolarHBondContact O-CB 3.36Å; P38-T42 PolarHBondContact O-N 3.35Å; P38-T42 PolarHBondContact O-OG1 2.98Å; P38-R78 HydrophobicContact CB-CG 4.37Å; P38-L81 HydrophobicContact CG-CD2 3.66Å; P38-Q82 HydrophobicContact CB-CG 4.28Å; P38-Q82 HydrophobicContact CG-CG 3.94Å
39	T	97.5	Very high	97.3	Very high	61 Å²	61	37 Å²	37	37%	0.374	18%	0.181	S	C	.	.	H	α-helix	trans	-67.5	-42.8	176.6	-62.3	0	0	0	0	110.7	D35 R36 M37 T42 K43 A211	D35-T39 PolarHBondContact O-N 3.14Å; D35-T39 PolarHBondContact O-OG1 3.43Å; R36-T39 WeakPolarHBondContact O-CA 3.3Å; R36-T39 WeakPolarHBondContact O-CB 3.19Å; R36-T39 PolarHBondContact O-N 2.75Å; M37-T39 VanDerWaalsContact C-N 3.31Å; M37-T39 PolarHBondContact O-N 2.91Å; T39-T42 PolarHBondContact O-N 3.29Å; T39-K43 PolarHBondContact O-N 2.84Å; T39-A211 HydrophobicContact CG2-CB 3.75Å
40	I	97.6	Very high	97.4	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-48	175.5	-67.8	162.7	0	0	0	110.6	R36 M37 T42 K43 A44 M131 Y132 F151 V302	R36-I40 WeakPolarHBondContact O-CG1 3.34Å; R36-I40 PolarHBondContact O-N 3.06Å; M37-I40 PolarHBondContact O-N 2.89Å; I40-T42 VanDerWaalsContact C-N 3.29Å; I40-T42 PolarHBondContact O-N 3.48Å; I40-K43 PolarHBondContact O-N 2.88Å; I40-A44 PolarHBondContact O-N 3.39Å; I40-M131 HydrophobicContact CG2-CE 4.21Å; I40-Y132 HydrophobicContact CG2-CE1 4.26Å; I40-F151 HydrophobicContact CG2-CE1 4.31Å; I40-V302 HydrophobicContact CD1-CG2 4.43Å; I40-V302 HydrophobicContact CG1-CG2 4.38Å; I40-V302 HydrophobicContact CG2-CG2 3.93Å
41	L	98.4	Very high	97.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-39.7	176.1	-73.7	170.4	0	0	0	112.2	M37 K43 A44 I45 L74 L77 R78 L81 M131 I135	M37-L41 PolarHBondContact O-N 3.08Å; L41-K43 VanDerWaalsContact C-N 3.35Å; L41-A44 PolarHBondContact O-N 2.89Å; L41-I45 WeakPolarHBondContact O-CD1 3.46Å; L41-I45 VanDerWaalsContact O-CG1 3.29Å; L41-I45 WeakPolarHBondContact O-CG1 3.41Å; L41-I45 PolarHBondContact O-N 3.47Å; L41-L74 HydrophobicContact CD2-CD2 4.48Å; L41-L77 HydrophobicContact CD1-CG 4.28Å; L41-L77 HydrophobicContact CD2-CD2 3.72Å; L41-L77 HydrophobicContact CD2-CG 4.29Å; L41-R78 HydrophobicContact CB-CB 4.26Å; L41-R78 HydrophobicContact CB-CG 4.25Å; L41-R78 HydrophobicContact CD1-CB 3.93Å; L41-R78 HydrophobicContact CD1-CG 4.2Å; L41-L81 HydrophobicContact CD1-CD1 4.09Å; L41-M131 HydrophobicContact CD1-CG 4.29Å; L41-M131 HydrophobicContact CD1-SD 4.12Å; L41-M131 HydrophobicContact CD2-CG 4.16Å; L41-M131 HydrophobicContact CD2-SD 4.34Å; L41-M131 HydrophobicContact CG-CG 4.3Å; L41-M131 HydrophobicContact CG-SD 3.93Å; L41-I135 HydrophobicContact CD2-CD1 3.68Å; L41-I135 HydrophobicContact CD2-CG1 3.66Å
42	T	98.1	Very high	97.5	Very high	58 Å²	58	42 Å²	42	36%	0.356	20%	0.199	S	C	.	.	H	α-helix	trans	-65	-39.8	177.3	-58.2	0	0	0	0	111.5	P38 T39 I40 I45 D46 R78	P38-T42 WeakPolarHBondContact O-CB 3.36Å; P38-T42 PolarHBondContact O-N 3.35Å; P38-T42 PolarHBondContact O-OG1 2.98Å; T39-T42 PolarHBondContact O-N 3.29Å; I40-T42 VanDerWaalsContact C-N 3.29Å; I40-T42 PolarHBondContact O-N 3.48Å; T42-I45 PolarHBondContact O-N 3.21Å; T42-D46 WeakPolarHBondContact O-CB 3.49Å; T42-D46 PolarHBondContact O-N 3.39Å; T42-R78 WeakPolarHBondContact OG1-CD 3.44Å; T42-R78 PolarHBondContact OG1-NH1 3.03Å
43	K	97.1	Very high	97.5	Very high	69 Å²	69	47.4 Å²	47.4	30%	0.3	23%	0.228	S	C	.	.	H	α-helix	trans	-67.6	-39.2	174	-72.7	-170.9	178.7	-174.6	0	112.7	T39 I40 L41 I45 D46 T47 A211 G212	T39-K43 PolarHBondContact O-N 2.84Å; I40-K43 PolarHBondContact O-N 2.88Å; L41-K43 VanDerWaalsContact C-N 3.35Å; K43-I45 VanDerWaalsContact C-N 3.33Å; K43-I45 PolarHBondContact O-N 2.78Å; K43-D46 PolarHBondContact O-N 2.94Å; K43-T47 PolarHBondContact O-N 2.88Å; K43-T47 PolarHBondContact O-OG1 3.26Å; K43-T47 VanDerWaalsContact O-OG1 3.11Å; K43-A211 WeakPolarHBondContact CD-O 3.48Å; K43-A211 WeakPolarHBondContact CE-O 3.33Å; K43-A211 PolarHBondContact NZ-O 3.11Å; K43-G212 PolarHBondContact NZ-O 3.14Å
44	A	97.9	Very high	97.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-44	174.5	0	0	0	0	0	111.3	I40 L41 T47 I48 L74 V150 F151	I40-A44 PolarHBondContact O-N 3.39Å; L41-A44 PolarHBondContact O-N 2.89Å; A44-T47 PolarHBondContact O-N 3.46Å; A44-I48 WeakPolarHBondContact O-CD1 3.49Å; A44-I48 VanDerWaalsContact O-CG1 3.31Å; A44-I48 WeakPolarHBondContact O-CG1 3.32Å; A44-I48 PolarHBondContact O-N 2.84Å; A44-I48 VanDerWaalsContact O-N 3.08Å; A44-L74 HydrophobicContact CB-CD1 4.42Å; A44-V150 HydrophobicContact CB-CB 4.43Å; A44-V150 HydrophobicContact CB-CG2 4.32Å; A44-F151 HydrophobicContact CB-CE1 4.47Å
45	I	98.4	Very high	97.6	Very high	21 Å²	21	47 Å²	47	11%	0.108	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-47.1	173.5	-70.5	163.1	0	0	0	111	L41 T42 K43 I48 H49 I71 L74	L41-I45 WeakPolarHBondContact O-CD1 3.46Å; L41-I45 VanDerWaalsContact O-CG1 3.29Å; L41-I45 WeakPolarHBondContact O-CG1 3.41Å; L41-I45 PolarHBondContact O-N 3.47Å; T42-I45 PolarHBondContact O-N 3.21Å; K43-I45 VanDerWaalsContact C-N 3.33Å; K43-I45 PolarHBondContact O-N 2.78Å; I45-I48 PolarHBondContact O-N 3.03Å; I45-H49 WeakPolarHBondContact O-CB 3.41Å; I45-H49 PolarHBondContact O-N 3.41Å; I45-I71 HydrophobicContact CG2-CG1 4.27Å; I45-I71 HydrophobicContact CG2-CG2 3.92Å; I45-L74 HydrophobicContact CD1-CB 3.98Å; I45-L74 HydrophobicContact CG1-CB 3.61Å; I45-L74 HydrophobicContact CG1-CD1 4.12Å
46	D	98.2	Very high	97.7	Very high	77 Å²	77	48.2 Å²	48.2	41%	0.412	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-44	178.3	179.8	74	0	0	0	112.1	T42 K43 I48 H49 R50	T42-D46 WeakPolarHBondContact O-CB 3.49Å; T42-D46 PolarHBondContact O-N 3.39Å; K43-D46 PolarHBondContact O-N 2.94Å; D46-I48 PolarHBondContact O-N 3.27Å; D46-H49 WeakPolarHBondContact O-CB 3.39Å; D46-H49 PolarHBondContact O-N 3.27Å; D46-H49 VanDerWaalsContact O-N 3.16Å; D46-R50 WeakPolarHBondContact O-CG 3.49Å; D46-R50 PolarHBondContact O-N 3.29Å; D46-R50 WeakPolarHBondContact OD2-CD 3.45Å; D46-R50 IonicContact OD2-CZ 3.95Å; D46-R50 IonicContact OD2-NE 3.99Å; D46-R50 PolarHBondContact OD2-NE 2.79Å
47	T	97.9	Very high	97.8	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.098	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-44.9	176.7	-62.4	0	0	0	0	112	K43 A44 H49 R50 N51 F148 V150	K43-T47 PolarHBondContact O-N 2.88Å; K43-T47 PolarHBondContact O-OG1 3.26Å; K43-T47 VanDerWaalsContact O-OG1 3.11Å; A44-T47 PolarHBondContact O-N 3.46Å; T47-H49 VanDerWaalsContact C-N 3.3Å; T47-H49 PolarHBondContact O-N 2.87Å; T47-R50 PolarHBondContact O-N 3.28Å; T47-R50 PolarHBondContact OG1-NH2 3.48Å; T47-R50 VanDerWaalsContact OG1-NH2 3.13Å; T47-N51 PolarHBondContact O-N 3.4Å; T47-N51 PolarHBondContact O-ND2 2.9Å; T47-F148 HydrophobicContact CG2-CE1 4.27Å; T47-F148 HydrophobicContact CG2-CZ 4.17Å; T47-V150 WeakPolarHBondContact CG2-O 3.36Å
48	I	97.9	Very high	97.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-45.6	175.8	-67.1	163.8	0	0	0	109.9	A44 I45 D46 N51 K52 F55 E67 I71 L74 I139 F148 V150	A44-I48 WeakPolarHBondContact O-CD1 3.49Å; A44-I48 VanDerWaalsContact O-CG1 3.31Å; A44-I48 WeakPolarHBondContact O-CG1 3.32Å; A44-I48 PolarHBondContact O-N 2.84Å; A44-I48 VanDerWaalsContact O-N 3.08Å; I45-I48 PolarHBondContact O-N 3.03Å; D46-I48 PolarHBondContact O-N 3.27Å; I48-N51 PolarHBondContact O-N 2.96Å; I48-K52 PolarHBondContact O-N 2.9Å; I48-F55 HydrophobicContact CG2-CE2 4.23Å; I48-E67 HydrophobicContact CG2-CB 4.4Å; I48-E67 HydrophobicContact CG2-CG 3.65Å; I48-I71 HydrophobicContact CB-CG1 4.25Å; I48-I71 HydrophobicContact CG2-CD1 4.08Å; I48-I71 HydrophobicContact CG2-CG1 3.77Å; I48-L74 HydrophobicContact CD1-CD1 3.36Å; I48-I139 HydrophobicContact CD1-CD1 3.71Å; I48-I139 HydrophobicContact CG1-CD1 4.35Å; I48-F148 HydrophobicContact CG1-CD1 4.43Å; I48-F148 HydrophobicContact CG1-CE1 4.16Å; I48-V150 HydrophobicContact CD1-CG1 3.91Å; I48-V150 HydrophobicContact CG1-CG1 3.82Å
49	H	97.9	Very high	97.7	Very high	104 Å²	104	60.7 Å²	60.7	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-44.7	-179.6	-171.1	56.4	0	0	0	113.2	I45 D46 T47 N51 K52 E67 I71	I45-H49 WeakPolarHBondContact O-CB 3.41Å; I45-H49 PolarHBondContact O-N 3.41Å; D46-H49 WeakPolarHBondContact O-CB 3.39Å; D46-H49 PolarHBondContact O-N 3.27Å; D46-H49 VanDerWaalsContact O-N 3.16Å; T47-H49 VanDerWaalsContact C-N 3.3Å; T47-H49 PolarHBondContact O-N 2.87Å; H49-N51 PolarHBondContact O-N 3.26Å; H49-K52 WeakPolarHBondContact O-CB 3.22Å; H49-K52 PolarHBondContact O-N 3.47Å; H49-K52 VanDerWaalsContact O-N 3.09Å; H49-E67 IonicContact ND1-OE1 3.16Å; H49-E67 PolarHBondContact ND1-OE1 3.27Å; H49-E67 VanDerWaalsContact ND1-OE1 3.16Å; H49-I71 HydrophobicContact CB-CD1 3.92Å
50	R	97.7	Very high	97.7	Very high	115 Å²	115	59 Å²	59	43%	0.434	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-27	177.1	-71.2	-174.2	-62.7	104.9	5.6	112.5	D46 T47 K52 E153	D46-R50 WeakPolarHBondContact O-CG 3.49Å; D46-R50 PolarHBondContact O-N 3.29Å; D46-R50 WeakPolarHBondContact OD2-CD 3.45Å; D46-R50 IonicContact OD2-CZ 3.95Å; D46-R50 IonicContact OD2-NE 3.99Å; D46-R50 PolarHBondContact OD2-NE 2.79Å; T47-R50 PolarHBondContact O-N 3.28Å; T47-R50 PolarHBondContact OG1-NH2 3.48Å; T47-R50 VanDerWaalsContact OG1-NH2 3.13Å; R50-K52 VanDerWaalsContact C-N 3.35Å; R50-E153 IonicContact CZ-OE1 3.37Å; R50-E153 IonicContact CZ-OE2 2.97Å; R50-E153 VanDerWaalsContact CZ-OE2 3.28Å; R50-E153 VanDerWaalsContact NH1-CD 3.26Å; R50-E153 IonicContact NH1-OE1 2.75Å; R50-E153 PolarHBondContact NH1-OE1 2.93Å; R50-E153 IonicContact NH1-OE2 3.68Å; R50-E153 PolarHBondContact NH1-OE2 3.39Å; R50-E153 IonicContact NH2-OE1 2.72Å; R50-E153 IonicContact NH2-OE2 3.73Å; R50-E153 PolarHBondContact NH2-OE2 3.09Å
51	N	97.6	Very high	97.8	Very high	30 Å²	30	65 Å²	65	16%	0.16	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.6	177.4	-77.8	-88.7	0	0	0	114	T47 I48 H49 N53 K54 F55 F148	T47-N51 PolarHBondContact O-N 3.4Å; T47-N51 PolarHBondContact O-ND2 2.9Å; I48-N51 PolarHBondContact O-N 2.96Å; H49-N51 PolarHBondContact O-N 3.26Å; N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N53 PolarHBondContact O-N 2.65Å; N51-K54 WeakPolarHBondContact O-CB 3.47Å; N51-K54 PolarHBondContact O-N 2.86Å; N51-F55 HydrophobicContact CB-CD2 4.31Å; N51-F55 HydrophobicContact CB-CE1 4.42Å; N51-F55 HydrophobicContact CB-CE2 3.74Å; N51-F55 HydrophobicContact CB-CZ 3.81Å; N51-F55 VanDerWaalsContact O-CD2 3.3Å; N51-F55 WeakPolarHBondContact O-CD2 3.43Å; N51-F55 WeakPolarHBondContact O-CG 3.49Å; N51-F55 PolarHBondContact O-N 3.01Å; N51-F148 HydrophobicContact CB-CE2 4.43Å; N51-F148 HydrophobicContact CB-CZ 4.16Å
52	K	97.1	Very high	97.7	Very high	72 Å²	72	72 Å²	72	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-51	-45.4	178.6	178.2	-175.1	172	-168.5	0	113.9	I48 H49 R50 K54 F55 F56 I64	I48-K52 PolarHBondContact O-N 2.9Å; H49-K52 WeakPolarHBondContact O-CB 3.22Å; H49-K52 PolarHBondContact O-N 3.47Å; H49-K52 VanDerWaalsContact O-N 3.09Å; R50-K52 VanDerWaalsContact C-N 3.35Å; K52-K54 VanDerWaalsContact C-N 3.32Å; K52-K54 PolarHBondContact O-N 2.83Å; K52-F55 PolarHBondContact O-N 3.25Å; K52-F56 PolarHBondContact O-N 2.95Å; K52-I64 HydrophobicContact CG-CG1 4.34Å
53	N	97.1	Very high	97.7	Very high	117 Å²	117	69.2 Å²	69.2	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-64.5	-40.4	-179.7	-69.2	-14.3	0	0	0	111.2	N51 F56 E57	N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N53 PolarHBondContact O-N 2.65Å; N53-F56 WeakPolarHBondContact O-CB 3.49Å; N53-F56 PolarHBondContact O-N 3.12Å; N53-E57 WeakPolarHBondContact O-CG 3.37Å; N53-E57 PolarHBondContact O-N 3.42Å
54	K	97.1	Very high	97.8	Very high	90 Å²	90	66.8 Å²	66.8	39%	0.391	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-44.2	175.3	-176.8	-179.2	175.3	-176.7	0	111.3	N51 K52 F56 E57 E58	N51-K54 WeakPolarHBondContact O-CB 3.47Å; N51-K54 PolarHBondContact O-N 2.86Å; K52-K54 VanDerWaalsContact C-N 3.32Å; K52-K54 PolarHBondContact O-N 2.83Å; K54-F56 VanDerWaalsContact C-N 3.29Å; K54-F56 PolarHBondContact O-N 3.06Å; K54-E57 PolarHBondContact O-N 3.07Å; K54-E58 WeakPolarHBondContact CE-OE1 3.46Å; K54-E58 HydrophobicContact CG-CG 4.4Å; K54-E58 IonicContact NZ-OE1 3.87Å; K54-E58 WeakPolarHBondContact O-CB 3.28Å; K54-E58 WeakPolarHBondContact O-CG 3.4Å; K54-E58 PolarHBondContact O-N 3.08Å
55	F	98	Very high	97.8	Very high	4 Å²	4	70.5 Å²	70.5	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-63	-35.6	175.8	-60.2	-41.2	0	0	0	112.6	I48 N51 K52 H59 E67 I145 F148	I48-F55 HydrophobicContact CG2-CE2 4.23Å; N51-F55 HydrophobicContact CB-CD2 4.31Å; N51-F55 HydrophobicContact CB-CE1 4.42Å; N51-F55 HydrophobicContact CB-CE2 3.74Å; N51-F55 HydrophobicContact CB-CZ 3.81Å; N51-F55 VanDerWaalsContact O-CD2 3.3Å; N51-F55 WeakPolarHBondContact O-CD2 3.43Å; N51-F55 WeakPolarHBondContact O-CG 3.49Å; N51-F55 PolarHBondContact O-N 3.01Å; K52-F55 PolarHBondContact O-N 3.25Å; F55-H59 WeakPolarHBondContact O-CA 3.49Å; F55-H59 VanDerWaalsContact O-CB 3.31Å; F55-H59 WeakPolarHBondContact O-CB 3.37Å; F55-H59 PolarHBondContact O-N 2.91Å; F55-E67 HydrophobicContact CD2-CB 3.97Å; F55-E67 HydrophobicContact CD2-CG 4.17Å; F55-E67 HydrophobicContact CE2-CB 4.41Å; F55-E67 HydrophobicContact CE2-CG 4.38Å; F55-I145 HydrophobicContact CB-CG2 4.43Å; F55-I145 HydrophobicContact CD1-CB 4.48Å; F55-I145 HydrophobicContact CD1-CG2 3.5Å; F55-I145 VanDerWaalsContact CD1-CG2 3.5Å; F55-I145 HydrophobicContact CD2-CG2 4.4Å; F55-I145 HydrophobicContact CE1-CB 4.22Å; F55-I145 HydrophobicContact CE1-CG2 3.72Å; F55-I145 HydrophobicContact CE2-CD1 4.46Å; F55-I145 HydrophobicContact CG-CG2 3.88Å; F55-I145 HydrophobicContact CZ-CD1 4.49Å; F55-I145 HydrophobicContact CZ-CG2 4.27Å; F55-F148 AromaticContact CE1-CD2 3.66Å; F55-F148 HydrophobicContact CE1-CD2 3.66Å; F55-F148 AromaticContact CE1-CE2 3.95Å; F55-F148 HydrophobicContact CE1-CE2 3.95Å; F55-F148 HydrophobicContact CE1-CG 4.05Å; F55-F148 HydrophobicContact CZ-CD1 4Å; F55-F148 AromaticContact CZ-CD2 3.72Å; F55-F148 HydrophobicContact CZ-CD2 3.72Å; F55-F148 HydrophobicContact CZ-CE1 4.05Å; F55-F148 AromaticContact CZ-CE2 3.78Å; F55-F148 HydrophobicContact CZ-CE2 3.78Å; F55-F148 AromaticContact CZ-CG 3.83Å; F55-F148 HydrophobicContact CZ-CG 3.83Å; F55-F148 AromaticContact CZ-CZ 3.95Å; F55-F148 HydrophobicContact CZ-CZ 3.95Å
56	F	98	Very high	97.8	Very high	95 Å²	95	69.8 Å²	69.8	42%	0.417	34%	0.342	S	S	.	.	H	α-helix	trans	-68.2	-41.9	173.5	-178.5	-102	0	0	0	112.5	K52 N53 K54 G60 E61 I64	K52-F56 PolarHBondContact O-N 2.95Å; N53-F56 WeakPolarHBondContact O-CB 3.49Å; N53-F56 PolarHBondContact O-N 3.12Å; K54-F56 VanDerWaalsContact C-N 3.29Å; K54-F56 PolarHBondContact O-N 3.06Å; F56-G60 WeakPolarHBondContact O-CA 3.35Å; F56-G60 PolarHBondContact O-N 3.48Å; F56-E61 HydrophobicContact CE2-CG 4.36Å; F56-E61 WeakPolarHBondContact CE2-OE1 3.46Å; F56-I64 HydrophobicContact CB-CD1 3.92Å; F56-I64 HydrophobicContact CB-CG1 3.95Å; F56-I64 HydrophobicContact CD2-CD1 3.38Å; F56-I64 HydrophobicContact CD2-CG1 3.98Å; F56-I64 HydrophobicContact CE2-CD1 4.2Å; F56-I64 HydrophobicContact CG-CD1 3.94Å; F56-I64 HydrophobicContact CG-CG1 4.42Å
57	E	98	Very high	97.8	Very high	157 Å²	157	66.3 Å²	66.3	73%	0.734	32%	0.323	S	S	*	.	H	α-helix	trans	-64	-40.8	177.2	-73.7	170.7	-167.6	0	0	112.1	N53 K54	N53-E57 WeakPolarHBondContact O-CG 3.37Å; N53-E57 PolarHBondContact O-N 3.42Å; K54-E57 PolarHBondContact O-N 3.07Å
58	E	97.3	Very high	97.8	Very high	108 Å²	108	71.5 Å²	71.5	51%	0.505	35%	0.345	S	S	.	.	H	α-helix	trans	-83.1	-31.9	-177.3	-68.6	176.9	171.1	0	0	113.2	K54	K54-E58 WeakPolarHBondContact CE-OE1 3.46Å; K54-E58 HydrophobicContact CG-CG 4.4Å; K54-E58 IonicContact NZ-OE1 3.87Å; K54-E58 WeakPolarHBondContact O-CB 3.28Å; K54-E58 WeakPolarHBondContact O-CG 3.4Å; K54-E58 PolarHBondContact O-N 3.08Å
59	H	97.6	Very high	97.8	Very high	72 Å²	72	76.1 Å²	76.1	33%	0.333	37%	0.366	S	S	.	.	H	α-helix	trans	-136.8	3.4	-167.5	-51.6	-52.4	0	0	0	115.2	F55 P144	F55-H59 WeakPolarHBondContact O-CA 3.49Å; F55-H59 VanDerWaalsContact O-CB 3.31Å; F55-H59 WeakPolarHBondContact O-CB 3.37Å; F55-H59 PolarHBondContact O-N 2.91Å; H59-P144 HydrophobicContact CB-CB 4.45Å; H59-P144 HydrophobicContact CB-CG 3.52Å
60	G	97.8	Very high	97.8	Very high	26 Å²	26	71.1 Å²	71.1	27%	0.268	34%	0.343	S	S	.	.	H	α-helix	trans	63.6	-149.2	-179.5	0	0	0	0	0	114	F56 E62 G63 I64	F56-G60 WeakPolarHBondContact O-CA 3.35Å; F56-G60 PolarHBondContact O-N 3.48Å; G60-E62 PolarHBondContact O-N 2.7Å; G60-G63 PolarHBondContact O-N 3.33Å; G60-G63 VanDerWaalsContact O-N 3.15Å; G60-I64 PolarHBondContact O-N 3.17Å
61	E	97.8	Very high	97.9	Very high	134 Å²	134	67.1 Å²	67.1	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-62.7	-28.1	-179.1	-69.2	-64.3	159.5	0	0	113.2	F56 G63 I64 S65	F56-E61 HydrophobicContact CE2-CG 4.36Å; F56-E61 WeakPolarHBondContact CE2-OE1 3.46Å; E61-G63 VanDerWaalsContact C-N 3.33Å; E61-I64 PolarHBondContact O-N 3.43Å; E61-S65 PolarHBondContact O-N 3.3Å
62	E	97.8	Very high	97.9	Very high	146 Å²	146	68.7 Å²	68.7	68%	0.682	34%	0.344	S	S	*	.	H	α-helix	trans	-64.2	-39.4	175.4	-66.3	-176.2	178	0	0	111.3	G60 I64 S65 A66	G60-E62 PolarHBondContact O-N 2.7Å; E62-I64 PolarHBondContact O-N 3.19Å; E62-S65 PolarHBondContact O-N 3.1Å; E62-A66 WeakPolarHBondContact O-CB 3.38Å; E62-A66 PolarHBondContact O-N 3.32Å
63	G	98	Very high	98	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-42	173.6	0	0	0	0	0	113	G60 E61 A66 E67	G60-G63 PolarHBondContact O-N 3.33Å; G60-G63 VanDerWaalsContact O-N 3.15Å; E61-G63 VanDerWaalsContact C-N 3.33Å; G63-A66 PolarHBondContact O-N 3.48Å; G63-E67 WeakPolarHBondContact O-CB 3.14Å; G63-E67 PolarHBondContact O-N 2.73Å
64	I	98	Very high	98.1	Very high	18 Å²	18	62 Å²	62	9%	0.092	31%	0.311	C	S	.	.	H	α-helix	trans	-66.2	-40.5	175.5	-63.5	-178.2	0	0	0	111.1	K52 F56 G60 E61 E62 E67 K68	K52-I64 HydrophobicContact CG-CG1 4.34Å; F56-I64 HydrophobicContact CB-CD1 3.92Å; F56-I64 HydrophobicContact CB-CG1 3.95Å; F56-I64 HydrophobicContact CD2-CD1 3.38Å; F56-I64 HydrophobicContact CD2-CG1 3.98Å; F56-I64 HydrophobicContact CE2-CD1 4.2Å; F56-I64 HydrophobicContact CG-CD1 3.94Å; F56-I64 HydrophobicContact CG-CG1 4.42Å; G60-I64 PolarHBondContact O-N 3.17Å; E61-I64 PolarHBondContact O-N 3.43Å; E62-I64 PolarHBondContact O-N 3.19Å; I64-E67 PolarHBondContact O-N 3.48Å; I64-K68 HydrophobicContact CG2-CD 4.34Å; I64-K68 WeakPolarHBondContact O-CG 3.37Å; I64-K68 PolarHBondContact O-N 2.86Å; I64-K68 VanDerWaalsContact O-N 3.1Å
65	S	98.3	Very high	98.2	Very high	78 Å²	78	59.7 Å²	59.7	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-46.4	177.8	-170.7	0	0	0	0	111.4	E61 E62 K68 Q69	E61-S65 PolarHBondContact O-N 3.3Å; E62-S65 PolarHBondContact O-N 3.1Å; S65-K68 PolarHBondContact O-N 2.98Å; S65-Q69 PolarHBondContact O-N 3.13Å; S65-Q69 VanDerWaalsContact O-N 3.08Å
66	A	98.3	Very high	98.2	Very high	6 Å²	6	64.5 Å²	64.5	5%	0.05	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-41.5	177.5	0	0	0	0	0	112.2	E62 G63 Q69 A70 N142 P143 I145	E62-A66 WeakPolarHBondContact O-CB 3.38Å; E62-A66 PolarHBondContact O-N 3.32Å; G63-A66 PolarHBondContact O-N 3.48Å; A66-Q69 PolarHBondContact O-N 2.95Å; A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 2.8Å; A66-N142 HydrophobicContact CB-CB 4.18Å; A66-P143 WeakPolarHBondContact CB-O 3.49Å; A66-I145 HydrophobicContact CB-CD1 4.26Å; A66-I145 HydrophobicContact CB-CG1 3.93Å
67	E	98.1	Very high	98.2	Very high	4 Å²	4	60 Å²	60	2%	0.019	31%	0.308	C	S	.	.	H	α-helix	trans	-55.1	-54	172.8	174.8	-106.5	172.9	0	0	112	I48 H49 F55 G63 I64 Q69 A70 I71	I48-E67 HydrophobicContact CG2-CB 4.4Å; I48-E67 HydrophobicContact CG2-CG 3.65Å; H49-E67 IonicContact ND1-OE1 3.16Å; H49-E67 PolarHBondContact ND1-OE1 3.27Å; H49-E67 VanDerWaalsContact ND1-OE1 3.16Å; F55-E67 HydrophobicContact CD2-CB 3.97Å; F55-E67 HydrophobicContact CD2-CG 4.17Å; F55-E67 HydrophobicContact CE2-CB 4.41Å; F55-E67 HydrophobicContact CE2-CG 4.38Å; G63-E67 WeakPolarHBondContact O-CB 3.14Å; G63-E67 PolarHBondContact O-N 2.73Å; I64-E67 PolarHBondContact O-N 3.48Å; E67-Q69 VanDerWaalsContact C-N 3.28Å; E67-Q69 PolarHBondContact O-N 3.3Å; E67-A70 PolarHBondContact O-N 2.84Å; E67-I71 HydrophobicContact CG-CD1 4.13Å; E67-I71 WeakPolarHBondContact O-CG1 3.27Å; E67-I71 PolarHBondContact O-N 2.91Å; E67-I71 WeakPolarHBondContact OE1-CD1 3.47Å
68	K	98.3	Very high	98.2	Very high	126 Å²	126	56.1 Å²	56.1	55%	0.548	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-41.2	-179.9	-72.1	174.8	-178.1	170.9	0	112.1	I64 S65 I71 S72	I64-K68 HydrophobicContact CG2-CD 4.34Å; I64-K68 WeakPolarHBondContact O-CG 3.37Å; I64-K68 PolarHBondContact O-N 2.86Å; I64-K68 VanDerWaalsContact O-N 3.1Å; S65-K68 PolarHBondContact O-N 2.98Å; K68-I71 PolarHBondContact O-N 3.06Å; K68-S72 WeakPolarHBondContact O-CB 3.45Å; K68-S72 PolarHBondContact O-N 3.16Å
69	Q	98.4	Very high	98.3	Very high	96 Å²	96	55 Å²	55	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-70.5	-40.2	-179.4	-173.4	63.6	15.7	0	0	111.6	S65 A66 E67 S72 L73 N142	S65-Q69 PolarHBondContact O-N 3.13Å; S65-Q69 VanDerWaalsContact O-N 3.08Å; A66-Q69 PolarHBondContact O-N 2.95Å; E67-Q69 VanDerWaalsContact C-N 3.28Å; E67-Q69 PolarHBondContact O-N 3.3Å; Q69-S72 WeakPolarHBondContact O-CB 3.35Å; Q69-S72 PolarHBondContact O-N 3.45Å; Q69-L73 WeakPolarHBondContact O-CG 3.33Å; Q69-L73 PolarHBondContact O-N 3.43Å; Q69-N142 WeakPolarHBondContact CB-OD1 3.44Å; Q69-N142 WeakPolarHBondContact CG-OD1 3.29Å
70	A	98.4	Very high	98.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-45.4	172.7	0	0	0	0	0	111.8	A66 E67 S72 L73 L74 I139 N142 I145	A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 2.8Å; E67-A70 PolarHBondContact O-N 2.84Å; A70-S72 VanDerWaalsContact C-N 3.3Å; A70-S72 PolarHBondContact O-N 3.34Å; A70-L73 PolarHBondContact O-N 3.3Å; A70-L74 WeakPolarHBondContact O-CG 3.44Å; A70-L74 PolarHBondContact O-N 2.69Å; A70-I139 HydrophobicContact CB-CD1 4.24Å; A70-N142 HydrophobicContact CB-CB 4.4Å; A70-I145 HydrophobicContact CB-CD1 4.18Å
71	I	98.6	Very high	98.4	Very high	30 Å²	30	51 Å²	51	15%	0.154	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-40.9	174.9	-72.1	176.6	0	0	0	111.5	I45 I48 H49 E67 K68 L74 S75	I45-I71 HydrophobicContact CG2-CG1 4.27Å; I45-I71 HydrophobicContact CG2-CG2 3.92Å; I48-I71 HydrophobicContact CB-CG1 4.25Å; I48-I71 HydrophobicContact CG2-CD1 4.08Å; I48-I71 HydrophobicContact CG2-CG1 3.77Å; H49-I71 HydrophobicContact CB-CD1 3.92Å; E67-I71 HydrophobicContact CG-CD1 4.13Å; E67-I71 WeakPolarHBondContact O-CG1 3.27Å; E67-I71 PolarHBondContact O-N 2.91Å; E67-I71 WeakPolarHBondContact OE1-CD1 3.47Å; K68-I71 PolarHBondContact O-N 3.06Å; I71-L74 PolarHBondContact O-N 3.18Å; I71-S75 VanDerWaalsContact O-CB 3.25Å; I71-S75 WeakPolarHBondContact O-CB 3.46Å; I71-S75 PolarHBondContact O-N 3.08Å; I71-S75 PolarHBondContact O-OG 3.3Å
72	S	98.6	Very high	98.4	Very high	64 Å²	64	49.9 Å²	49.9	45%	0.448	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-47.7	176.9	-176.3	0	0	0	0	111.6	K68 Q69 A70 S75 K76	K68-S72 WeakPolarHBondContact O-CB 3.45Å; K68-S72 PolarHBondContact O-N 3.16Å; Q69-S72 WeakPolarHBondContact O-CB 3.35Å; Q69-S72 PolarHBondContact O-N 3.45Å; A70-S72 VanDerWaalsContact C-N 3.3Å; A70-S72 PolarHBondContact O-N 3.34Å; S72-S75 PolarHBondContact O-N 3.43Å; S72-K76 WeakPolarHBondContact O-CB 3.34Å; S72-K76 PolarHBondContact O-N 3.27Å
73	L	98.7	Very high	98.4	Very high	47 Å²	47	46.2 Å²	46.2	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-43.7	177.6	-67.7	178	0	0	0	112.4	Q69 A70 K76 L77 A138 L141 N142	Q69-L73 WeakPolarHBondContact O-CG 3.33Å; Q69-L73 PolarHBondContact O-N 3.43Å; A70-L73 PolarHBondContact O-N 3.3Å; L73-K76 WeakPolarHBondContact O-CB 3.49Å; L73-K76 PolarHBondContact O-N 2.9Å; L73-L77 WeakPolarHBondContact O-CB 3.5Å; L73-L77 PolarHBondContact O-N 3.26Å; L73-A138 HydrophobicContact CB-CB 3.84Å; L73-A138 HydrophobicContact CD1-CB 4.23Å; L73-L141 HydrophobicContact CD1-CB 4.45Å; L73-L141 HydrophobicContact CD1-CD1 4.38Å; L73-N142 WeakPolarHBondContact CD1-ND2 3.32Å
74	L	98.7	Very high	98.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-35	177.5	-67.8	-179.1	0	0	0	112.6	L41 A44 I45 I48 A70 I71 K76 L77 R78 I135 A138	L41-L74 HydrophobicContact CD2-CD2 4.48Å; A44-L74 HydrophobicContact CB-CD1 4.42Å; I45-L74 HydrophobicContact CD1-CB 3.98Å; I45-L74 HydrophobicContact CG1-CB 3.61Å; I45-L74 HydrophobicContact CG1-CD1 4.12Å; I48-L74 HydrophobicContact CD1-CD1 3.36Å; A70-L74 WeakPolarHBondContact O-CG 3.44Å; A70-L74 PolarHBondContact O-N 2.69Å; I71-L74 PolarHBondContact O-N 3.18Å; L74-K76 VanDerWaalsContact C-N 3.34Å; L74-L77 HydrophobicContact CD2-CD2 4.28Å; L74-L77 PolarHBondContact O-N 2.89Å; L74-R78 WeakPolarHBondContact O-CB 3.41Å; L74-R78 PolarHBondContact O-N 3.11Å; L74-I135 HydrophobicContact CD2-CB 4.23Å; L74-I135 HydrophobicContact CD2-CG1 3.91Å; L74-I135 HydrophobicContact CD2-CG2 4.3Å; L74-A138 HydrophobicContact CD2-CB 3.7Å; L74-A138 HydrophobicContact CG-CB 4.07Å
75	S	98.6	Very high	98.3	Very high	42 Å²	42	52.7 Å²	52.7	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-40.2	173.9	-62.6	0	0	0	0	111.2	I71 S72 R78 N79	I71-S75 VanDerWaalsContact O-CB 3.25Å; I71-S75 WeakPolarHBondContact O-CB 3.46Å; I71-S75 PolarHBondContact O-N 3.08Å; I71-S75 PolarHBondContact O-OG 3.3Å; S72-S75 PolarHBondContact O-N 3.43Å; S75-R78 PolarHBondContact O-N 3.49Å; S75-N79 PolarHBondContact O-N 3.31Å; S75-N79 VanDerWaalsContact O-N 3.07Å
76	K	98.7	Very high	98.3	Very high	106 Å²	106	51.5 Å²	51.5	46%	0.461	26%	0.261	S	S	.	.	H	α-helix	trans	-61.3	-49	172.1	-172	-164.5	-179.7	-129.2	0	110.9	S72 L73 L74 R78 N79 E80	S72-K76 WeakPolarHBondContact O-CB 3.34Å; S72-K76 PolarHBondContact O-N 3.27Å; L73-K76 WeakPolarHBondContact O-CB 3.49Å; L73-K76 PolarHBondContact O-N 2.9Å; L74-K76 VanDerWaalsContact C-N 3.34Å; K76-R78 VanDerWaalsContact C-N 3.33Å; K76-R78 PolarHBondContact O-N 3.4Å; K76-N79 PolarHBondContact O-N 2.72Å; K76-N79 VanDerWaalsContact O-N 3.14Å; K76-E80 WeakPolarHBondContact CD-OE1 3.43Å; K76-E80 WeakPolarHBondContact CE-OE1 3.28Å; K76-E80 WeakPolarHBondContact CG-OE1 3.45Å; K76-E80 IonicContact NZ-OE1 2.89Å; K76-E80 PolarHBondContact NZ-OE1 2.95Å; K76-E80 WeakPolarHBondContact O-CG 3.1Å; K76-E80 PolarHBondContact O-N 3.29Å
77	L	98.7	Very high	98.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-44.4	176.9	178.4	62.8	0	0	0	112	L41 L73 L74 N79 E80 L81 W119 R134 I135	L41-L77 HydrophobicContact CD1-CG 4.28Å; L41-L77 HydrophobicContact CD2-CD2 3.72Å; L41-L77 HydrophobicContact CD2-CG 4.29Å; L73-L77 WeakPolarHBondContact O-CB 3.5Å; L73-L77 PolarHBondContact O-N 3.26Å; L74-L77 HydrophobicContact CD2-CD2 4.28Å; L74-L77 PolarHBondContact O-N 2.89Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.41Å; L77-E80 WeakPolarHBondContact O-CB 3.36Å; L77-E80 PolarHBondContact O-N 2.72Å; L77-L81 WeakPolarHBondContact O-CB 3.41Å; L77-L81 PolarHBondContact O-N 2.97Å; L77-W119 HydrophobicContact CD1-CH2 3.7Å; L77-W119 HydrophobicContact CD1-CZ2 3.65Å; L77-R134 HydrophobicContact CD1-CB 3.76Å; L77-R134 HydrophobicContact CD1-CG 4.06Å; L77-R134 HydrophobicContact CD2-CB 3.58Å; L77-R134 HydrophobicContact CG-CB 4.33Å; L77-I135 HydrophobicContact CD2-CG1 4.2Å
78	R	98.6	Very high	98.3	Very high	74 Å²	74	54.9 Å²	54.9	28%	0.279	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-43.4	176.2	-168.6	-177.8	70.5	-167.4	-5.8	111.7	P38 L41 T42 L74 S75 K76 L81 Q82	P38-R78 HydrophobicContact CB-CG 4.37Å; L41-R78 HydrophobicContact CB-CB 4.26Å; L41-R78 HydrophobicContact CB-CG 4.25Å; L41-R78 HydrophobicContact CD1-CB 3.93Å; L41-R78 HydrophobicContact CD1-CG 4.2Å; T42-R78 WeakPolarHBondContact OG1-CD 3.44Å; T42-R78 PolarHBondContact OG1-NH1 3.03Å; L74-R78 WeakPolarHBondContact O-CB 3.41Å; L74-R78 PolarHBondContact O-N 3.11Å; S75-R78 PolarHBondContact O-N 3.49Å; K76-R78 VanDerWaalsContact C-N 3.33Å; K76-R78 PolarHBondContact O-N 3.4Å; R78-L81 PolarHBondContact O-N 2.69Å; R78-Q82 WeakPolarHBondContact O-CB 3.31Å; R78-Q82 VanDerWaalsContact O-CG 3.3Å; R78-Q82 WeakPolarHBondContact O-CG 3.41Å; R78-Q82 PolarHBondContact O-N 3.04Å
79	N	98.5	Very high	98.2	Very high	86 Å²	86	53.3 Å²	53.3	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-67.1	-40.8	176.3	-179.9	79.5	0	0	0	112.4	S75 K76 L77 L81 Q82 T83	S75-N79 PolarHBondContact O-N 3.31Å; S75-N79 VanDerWaalsContact O-N 3.07Å; K76-N79 PolarHBondContact O-N 2.72Å; K76-N79 VanDerWaalsContact O-N 3.14Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.41Å; N79-L81 VanDerWaalsContact C-N 3.29Å; N79-L81 PolarHBondContact O-N 3.02Å; N79-Q82 PolarHBondContact O-N 2.98Å; N79-T83 WeakPolarHBondContact O-CB 3.48Å; N79-T83 PolarHBondContact O-N 3.05Å; N79-T83 PolarHBondContact O-OG1 3.1Å
80	E	98.6	Very high	98.2	Very high	13 Å²	13	48.9 Å²	48.9	6%	0.061	25%	0.251	C	S	.	.	H	α-helix	trans	-54.7	-47.5	173.6	-73.6	167.9	-175.2	0	0	110.5	K76 L77 D84 K85 W119 R134	K76-E80 WeakPolarHBondContact CD-OE1 3.43Å; K76-E80 WeakPolarHBondContact CE-OE1 3.28Å; K76-E80 WeakPolarHBondContact CG-OE1 3.45Å; K76-E80 IonicContact NZ-OE1 2.89Å; K76-E80 PolarHBondContact NZ-OE1 2.95Å; K76-E80 WeakPolarHBondContact O-CG 3.1Å; K76-E80 PolarHBondContact O-N 3.29Å; L77-E80 WeakPolarHBondContact O-CB 3.36Å; L77-E80 PolarHBondContact O-N 2.72Å; E80-D84 PolarHBondContact O-N 3.04Å; E80-K85 HydrophobicContact CB-CB 4.1Å; E80-K85 HydrophobicContact CB-CG 4.28Å; E80-K85 HydrophobicContact CG-CB 4.31Å; E80-K85 HydrophobicContact CG-CG 4.31Å; E80-K85 PolarHBondContact O-N 3.35Å; E80-W119 PolarHBondContact O-NE1 2.81Å; E80-R134 IonicContact OE1-NH2 2.68Å; E80-R134 IonicContact OE2-CZ 3.36Å; E80-R134 IonicContact OE2-NH1 2.72Å; E80-R134 PolarHBondContact OE2-NH1 3.23Å; E80-R134 IonicContact OE2-NH2 2.9Å; E80-R134 PolarHBondContact OE2-NH2 2.78Å
81	L	98.1	Very high	98.1	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-53.9	176.3	-175.8	167.1	0	0	0	112.2	I33 M37 P38 L41 L77 R78 N79 T83 D84 W119 M131	I33-L81 WeakPolarHBondContact O-CD2 3.45Å; M37-L81 HydrophobicContact CB-CD1 3.66Å; M37-L81 HydrophobicContact CE-CD1 3.83Å; M37-L81 HydrophobicContact SD-CD1 4.49Å; P38-L81 HydrophobicContact CG-CD2 3.66Å; L41-L81 HydrophobicContact CD1-CD1 4.09Å; L77-L81 WeakPolarHBondContact O-CB 3.41Å; L77-L81 PolarHBondContact O-N 2.97Å; R78-L81 PolarHBondContact O-N 2.69Å; N79-L81 VanDerWaalsContact C-N 3.29Å; N79-L81 PolarHBondContact O-N 3.02Å; L81-T83 PolarHBondContact O-N 2.87Å; L81-D84 PolarHBondContact O-N 2.87Å; L81-W119 HydrophobicContact CB-CD2 3.83Å; L81-W119 HydrophobicContact CB-CE3 4.1Å; L81-W119 HydrophobicContact CB-CG 4.26Å; L81-W119 HydrophobicContact CB-CH2 4.45Å; L81-W119 HydrophobicContact CB-CZ2 4.19Å; L81-W119 HydrophobicContact CB-CZ3 4.41Å; L81-W119 HydrophobicContact CD1-CD2 4.48Å; L81-W119 HydrophobicContact CD1-CE3 3.92Å; L81-W119 HydrophobicContact CD1-CZ3 3.96Å; L81-W119 HydrophobicContact CG-CD2 3.86Å; L81-W119 HydrophobicContact CG-CE3 3.76Å; L81-W119 HydrophobicContact CG-CG 4.26Å; L81-W119 HydrophobicContact CG-CZ3 4.23Å; L81-M131 HydrophobicContact CD1-SD 4.34Å
82	Q	97.7	Very high	98	Very high	109 Å²	109	55.1 Å²	55.1	51%	0.509	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-23.8	-174.9	-72.2	-177.7	-63.9	0	0	113.7	P38 R78 N79	P38-Q82 HydrophobicContact CB-CG 4.28Å; P38-Q82 HydrophobicContact CG-CG 3.94Å; R78-Q82 WeakPolarHBondContact O-CB 3.31Å; R78-Q82 VanDerWaalsContact O-CG 3.3Å; R78-Q82 WeakPolarHBondContact O-CG 3.41Å; R78-Q82 PolarHBondContact O-N 3.04Å; N79-Q82 PolarHBondContact O-N 2.98Å
83	T	97.6	Very high	97.8	Very high	70 Å²	70	55.4 Å²	55.4	43%	0.429	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	15	-179.7	62.1	0	0	0	0	113.3	N79 L81 K85	N79-T83 WeakPolarHBondContact O-CB 3.48Å; N79-T83 PolarHBondContact O-N 3.05Å; N79-T83 PolarHBondContact O-OG1 3.1Å; L81-T83 PolarHBondContact O-N 2.87Å; T83-K85 PolarHBondContact O-N 2.94Å; T83-K85 WeakPolarHBondContact OG1-CE 3.47Å; T83-K85 WeakPolarHBondContact OG1-CG 3.47Å
84	D	97.8	Very high	97.7	Very high	48 Å²	48	54.9 Å²	54.9	26%	0.257	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	43.3	-179.9	-166.7	36.4	0	0	0	113.2	E80 L81 S118 W119 F120	E80-D84 PolarHBondContact O-N 3.04Å; L81-D84 PolarHBondContact O-N 2.87Å; D84-S118 WeakPolarHBondContact OD1-CB 3.5Å; D84-S118 PolarHBondContact OD1-OG 3.16Å; D84-S118 PolarHBondContact OD2-OG 2.83Å; D84-W119 PolarHBondContact OD1-N 3.27Å; D84-F120 HydrophobicContact CB-CD2 3.79Å; D84-F120 HydrophobicContact CB-CE2 4.49Å; D84-F120 PolarHBondContact OD1-N 3.32Å
85	K	98	Very high	97.5	Very high	106 Å²	106	60.7 Å²	60.7	46%	0.461	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-63.1	152.1	174.5	-65.7	-64.7	-179.1	-174	0	110.2	E80 T83 W119	E80-K85 HydrophobicContact CB-CB 4.1Å; E80-K85 HydrophobicContact CB-CG 4.28Å; E80-K85 HydrophobicContact CG-CB 4.31Å; E80-K85 HydrophobicContact CG-CG 4.31Å; E80-K85 PolarHBondContact O-N 3.35Å; T83-K85 PolarHBondContact O-N 2.94Å; T83-K85 WeakPolarHBondContact OG1-CE 3.47Å; T83-K85 WeakPolarHBondContact OG1-CG 3.47Å; K85-W119 PolarHBondContact O-NE1 3.03Å
86	P	97.6	Very high	97.4	Very high	53 Å²	53	59.2 Å²	59.2	34%	0.344	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-52.5	142.6	166.8	-25.3	35.1	0	0	0	111.2	L116 V117	P86-L116 HydrophobicContact CB-CB 3.97Å; P86-L116 HydrophobicContact CB-CD1 3.85Å; P86-L116 HydrophobicContact CG-CB 4.17Å; P86-L116 HydrophobicContact CG-CD1 3.67Å; P86-V117 CarbonylContact C-O 3.55Å; P86-V117 WeakPolarHBondContact CA-O 3.46Å
87	L	97.8	Very high	97.3	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-65.2	151.3	170.2	-54	177.9	0	0	0	109.1	M104 V117 W119 Y126 V127 Y130	L87-M104 HydrophobicContact CB-CE 4.23Å; L87-M104 WeakPolarHBondContact O-CE 2.96Å; L87-V117 HydrophobicContact CB-CG2 4.22Å; L87-V117 HydrophobicContact CD1-CB 4.35Å; L87-V117 HydrophobicContact CD1-CG2 4.35Å; L87-V117 PolarHBondContact N-O 2.68Å; L87-W119 HydrophobicContact CD2-CD2 3.76Å; L87-W119 HydrophobicContact CD2-CE3 4.23Å; L87-W119 HydrophobicContact CD2-CG 4.12Å; L87-W119 HydrophobicContact CD2-CH2 4.37Å; L87-W119 HydrophobicContact CD2-CZ2 3.93Å; L87-W119 HydrophobicContact CD2-CZ3 4.5Å; L87-Y126 HydrophobicContact CD1-CD1 4.21Å; L87-Y126 HydrophobicContact CD1-CE1 3.44Å; L87-Y126 VanDerWaalsContact CD1-CE1 3.44Å; L87-V127 HydrophobicContact CD1-CG1 4.3Å; L87-Y130 HydrophobicContact CB-CE1 4.18Å; L87-Y130 HydrophobicContact CD1-CD1 4.48Å; L87-Y130 HydrophobicContact CD2-CD1 3.71Å; L87-Y130 HydrophobicContact CD2-CE1 3.62Å; L87-Y130 HydrophobicContact CG-CE1 4.36Å
88	L	97.4	Very high	97.2	Very high	75 Å²	75	60.2 Å²	60.2	39%	0.393	33%	0.329	S	S	.	.			trans	-116.6	151.4	-177.3	-59.2	177.4	0	0	0	110.5	Y130	L88-Y130 PolarHBondContact N-OH 3.31Å; L88-Y130 WeakPolarHBondContact O-CE2 3.06Å; L88-Y130 PolarHBondContact O-OH 2.58Å
89	E	97.8	Very high	97.1	Very high	94 Å²	94	58.2 Å²	58.2	44%	0.439	33%	0.326	S	S	.	.			trans	-62.3	146.8	170	-68.2	-174.6	152.4	0	0	110.8	N101 M104	E89-N101 WeakPolarHBondContact CA-OD1 3.47Å; E89-N101 HydrophobicContact CG-CB 4.47Å; E89-M104 HydrophobicContact CG-SD 4.16Å
90	L	98.1	Very high	97.1	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	31%	0.305	C	S	.	.			trans	-78.2	144.6	173.5	-60	177.1	0	0	0	110	T97 W100 N101 Y130 R133 R134 E137	L90-T97 HydrophobicContact CB-CG2 3.86Å; L90-T97 VanDerWaalsContact O-CG2 3.3Å; L90-T97 WeakPolarHBondContact O-CG2 3.3Å; L90-W100 HydrophobicContact CD1-CB 3.49Å; L90-W100 VanDerWaalsContact CD1-CB 3.49Å; L90-W100 HydrophobicContact CD1-CD2 4.21Å; L90-W100 HydrophobicContact CD1-CG 3.67Å; L90-W100 HydrophobicContact CG-CB 4.47Å; L90-N101 PolarHBondContact N-OD1 3.27Å; L90-N101 PolarHBondContact O-ND2 3.47Å; L90-N101 VanDerWaalsContact O-ND2 3.08Å; L90-Y130 HydrophobicContact CD2-CE2 4.18Å; L90-R133 HydrophobicContact CD1-CG 3.47Å; L90-R133 VanDerWaalsContact CD1-CG 3.47Å; L90-R133 HydrophobicContact CD2-CG 4.35Å; L90-R134 HydrophobicContact CD2-CG 4.14Å; L90-E137 VanDerWaalsContact CA-OE1 3.27Å; L90-E137 WeakPolarHBondContact CA-OE1 3.3Å
91	M	96.1	Very high	97.1	Very high	147 Å²	147	54.3 Å²	54.3	72%	0.724	31%	0.306	S	S	*	.			trans	-134.1	8	-168.8	-57.9	-64.2	-70.4	0	0	113.9	E137	M91-E137 PolarHBondContact N-OE1 2.89Å
92	D	95.9	Very high	97	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.08	32%	0.322	C	S	.	.	S	Bend	trans	-79.4	-12.8	-176.4	56.2	27.4	0	0	0	115.9	L94 T97 R133 E137 W140 L141	D92-L94 PolarHBondContact O-N 2.84Å; D92-L94 WeakPolarHBondContact OD1-CB 3.5Å; D92-L94 PolarHBondContact OD1-N 3.13Å; D92-L94 VanDerWaalsContact OD1-N 3.09Å; D92-T97 PolarHBondContact OD1-OG1 2.94Å; D92-R133 VanDerWaalsContact CG-NH2 3.34Å; D92-R133 IonicContact OD1-CZ 3.51Å; D92-R133 IonicContact OD1-NH1 3.99Å; D92-R133 IonicContact OD1-NH2 3.73Å; D92-R133 PolarHBondContact OD1-NH2 2.82Å; D92-R133 IonicContact OD2-CZ 3.66Å; D92-R133 VanDerWaalsContact OD2-CZ 3.26Å; D92-R133 IonicContact OD2-NH1 3.44Å; D92-R133 PolarHBondContact OD2-NH1 3.14Å; D92-R133 IonicContact OD2-NH2 3.89Å; D92-R133 PolarHBondContact OD2-NH2 3.3Å; D92-E137 HydrophobicContact CB-CG 3.99Å; D92-E137 VanDerWaalsContact OD2-CA 3.32Å; D92-E137 WeakPolarHBondContact OD2-CA 3.41Å; D92-E137 WeakPolarHBondContact OD2-CB 3.27Å; D92-W140 HydrophobicContact CB-CG 4.49Å; D92-L141 HydrophobicContact CB-CD2 4.02Å; D92-L141 HydrophobicContact CB-CG 4.16Å
93	G	95.5	Very high	96.9	Very high	69 Å²	69	53.2 Å²	53.2	71%	0.711	30%	0.3	S	S	*	.			trans	71.9	16	178.4	0	0	0	0	0	114.1
94	L	95.7	Very high	96.9	Very high	36 Å²	36	51.1 Å²	51.1	19%	0.188	29%	0.286	C	S	.	.			trans	-64.4	158.1	168.4	-72.9	175.8	0	0	0	111	D92 D96 T97 Q136 W140	D92-L94 PolarHBondContact O-N 2.84Å; D92-L94 WeakPolarHBondContact OD1-CB 3.5Å; D92-L94 PolarHBondContact OD1-N 3.13Å; D92-L94 VanDerWaalsContact OD1-N 3.09Å; L94-D96 PolarHBondContact O-N 3.45Å; L94-D96 VanDerWaalsContact O-N 3.09Å; L94-T97 PolarHBondContact N-OG1 3.32Å; L94-T97 VanDerWaalsContact O-CB 3.24Å; L94-T97 WeakPolarHBondContact O-CB 3.4Å; L94-T97 PolarHBondContact O-N 3.28Å; L94-T97 PolarHBondContact O-OG1 3.31Å; L94-Q136 HydrophobicContact CD1-CG 4.43Å; L94-W140 HydrophobicContact CD1-CB 4.39Å; L94-W140 HydrophobicContact CD1-CD2 4.19Å; L94-W140 HydrophobicContact CD1-CG 4.04Å; L94-W140 HydrophobicContact CD2-CD2 3.66Å; L94-W140 HydrophobicContact CD2-CE3 4.07Å; L94-W140 HydrophobicContact CD2-CG 4.23Å; L94-W140 HydrophobicContact CD2-CH2 3.91Å; L94-W140 HydrophobicContact CD2-CZ2 3.49Å; L94-W140 VanDerWaalsContact CD2-CZ2 3.49Å; L94-W140 HydrophobicContact CD2-CZ3 4.19Å; L94-W140 HydrophobicContact CG-CD2 4.11Å; L94-W140 HydrophobicContact CG-CG 4.15Å
95	S	94.5	Very high	96.8	Very high	122 Å²	122	53.2 Å²	53.2	85%	0.853	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.4	-175.3	53.7	0	0	0	0	114.2
96	D	96.1	Very high	96.6	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.064	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.7	179.3	72.7	-15.1	0	0	0	113.9	L94 E98 S99 W100 R133	L94-D96 PolarHBondContact O-N 3.45Å; L94-D96 VanDerWaalsContact O-N 3.09Å; D96-E98 PolarHBondContact O-N 3.1Å; D96-S99 PolarHBondContact O-N 3.49Å; D96-S99 VanDerWaalsContact O-N 3.12Å; D96-S99 PolarHBondContact O-OG 2.9Å; D96-W100 VanDerWaalsContact O-CD1 3.29Å; D96-W100 PolarHBondContact O-N 2.94Å; D96-W100 VanDerWaalsContact O-N 3.08Å; D96-W100 PolarHBondContact OD2-NE1 3.36Å; D96-R133 IonicContact OD1-CZ 2.71Å; D96-R133 IonicContact OD1-NE 2.76Å; D96-R133 PolarHBondContact OD1-NE 3.2Å; D96-R133 VanDerWaalsContact OD1-NE 3.09Å; D96-R133 IonicContact OD1-NH2 3.24Å; D96-R133 PolarHBondContact OD1-NH2 2.89Å; D96-R133 IonicContact OD2-CZ 3.89Å; D96-R133 IonicContact OD2-NE 3.26Å; D96-R133 PolarHBondContact OD2-NE 2.89Å
97	T	97.4	Very high	96.4	Very high	15 Å²	15	49.9 Å²	49.9	9%	0.092	27%	0.272	C	S	.	.	H	α-helix	trans	-51.9	-51.4	-173.6	-55	0	0	0	0	112.4	L90 D92 L94 S99 W100 N101	L90-T97 HydrophobicContact CB-CG2 3.86Å; L90-T97 VanDerWaalsContact O-CG2 3.3Å; L90-T97 WeakPolarHBondContact O-CG2 3.3Å; D92-T97 PolarHBondContact OD1-OG1 2.94Å; L94-T97 PolarHBondContact N-OG1 3.32Å; L94-T97 VanDerWaalsContact O-CB 3.24Å; L94-T97 WeakPolarHBondContact O-CB 3.4Å; L94-T97 PolarHBondContact O-N 3.28Å; L94-T97 PolarHBondContact O-OG1 3.31Å; T97-S99 VanDerWaalsContact C-N 3.35Å; T97-S99 PolarHBondContact O-N 3.27Å; T97-W100 WeakPolarHBondContact O-CB 3.48Å; T97-W100 PolarHBondContact O-N 3.04Å; T97-N101 PolarHBondContact O-N 2.83Å
98	E	96.9	Very high	96.3	Very high	112 Å²	112	51.4 Å²	51.4	52%	0.523	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-42.5	-177.4	179.5	56.8	-155.5	0	0	111.3	D96 W100 N101 Q102	D96-E98 PolarHBondContact O-N 3.1Å; E98-W100 VanDerWaalsContact C-N 3.3Å; E98-W100 PolarHBondContact O-N 2.98Å; E98-N101 PolarHBondContact O-N 3.16Å; E98-Q102 WeakPolarHBondContact O-CB 3.48Å; E98-Q102 VanDerWaalsContact O-CG 3.28Å; E98-Q102 WeakPolarHBondContact O-CG 3.43Å; E98-Q102 PolarHBondContact O-N 3.17Å; E98-Q102 PolarHBondContact OE1-NE2 2.93Å
99	S	96.3	Very high	96	Very high	32 Å²	32	56.6 Å²	56.6	22%	0.224	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-36.6	178.4	71.4	0	0	0	0	112.6	D96 T97 Y103 Q351	D96-S99 PolarHBondContact O-N 3.49Å; D96-S99 VanDerWaalsContact O-N 3.12Å; D96-S99 PolarHBondContact O-OG 2.9Å; T97-S99 VanDerWaalsContact C-N 3.35Å; T97-S99 PolarHBondContact O-N 3.27Å; S99-Y103 PolarHBondContact O-N 2.73Å; S99-Q351 PolarHBondContact OG-NE2 3.34Å
100	W	98	Very high	95.6	Very high	3 Å²	3	58.7 Å²	58.7	1%	0.011	30%	0.304	C	S	.	.	H	α-helix	trans	-68.2	-44	175.2	-87.4	102	0	0	0	112.5	L90 D96 T97 E98 Q102 Y103 M104 Y126 C129 Y130 R133 W300 T350 P352	L90-W100 HydrophobicContact CD1-CB 3.49Å; L90-W100 VanDerWaalsContact CD1-CB 3.49Å; L90-W100 HydrophobicContact CD1-CD2 4.21Å; L90-W100 HydrophobicContact CD1-CG 3.67Å; L90-W100 HydrophobicContact CG-CB 4.47Å; D96-W100 VanDerWaalsContact O-CD1 3.29Å; D96-W100 PolarHBondContact O-N 2.94Å; D96-W100 VanDerWaalsContact O-N 3.08Å; D96-W100 PolarHBondContact OD2-NE1 3.36Å; T97-W100 WeakPolarHBondContact O-CB 3.48Å; T97-W100 PolarHBondContact O-N 3.04Å; E98-W100 VanDerWaalsContact C-N 3.3Å; E98-W100 PolarHBondContact O-N 2.98Å; W100-Q102 VanDerWaalsContact C-N 3.33Å; W100-Y103 PolarHBondContact O-N 3.32Å; W100-M104 PolarHBondContact O-N 3.22Å; W100-Y126 HydrophobicContact CE3-CE2 4.42Å; W100-Y126 HydrophobicContact CZ3-CD2 4.44Å; W100-Y126 HydrophobicContact CZ3-CE2 4.14Å; W100-C129 HydrophobicContact CH2-CB 3.83Å; W100-C129 HydrophobicContact CZ3-CB 4.49Å; W100-Y130 HydrophobicContact CZ3-CD2 4.46Å; W100-R133 HydrophobicContact CD2-CB 4.49Å; W100-R133 HydrophobicContact CD2-CG 4.04Å; W100-R133 HydrophobicContact CG-CG 4.36Å; W100-R133 HydrophobicContact CH2-CB 3.79Å; W100-R133 HydrophobicContact CH2-CG 4.36Å; W100-R133 HydrophobicContact CZ2-CB 3.52Å; W100-R133 HydrophobicContact CZ2-CG 3.75Å; W100-R133 HydrophobicContact CZ3-CB 4.41Å; W100-W300 HydrophobicContact CH2-CH2 4.21Å; W100-W300 HydrophobicContact CZ2-CH2 4.14Å; W100-W300 HydrophobicContact CZ2-CZ3 4.48Å; W100-T350 WeakPolarHBondContact CZ2-O 3.31Å; W100-P352 HydrophobicContact CD2-CG 4.49Å; W100-P352 HydrophobicContact CE3-CG 3.81Å; W100-P352 HydrophobicContact CH2-CB 4.15Å; W100-P352 HydrophobicContact CH2-CG 4.06Å; W100-P352 HydrophobicContact CZ3-CB 3.88Å; W100-P352 HydrophobicContact CZ3-CG 3.56Å
101	N	98	Very high	95	Very high	14 Å²	14	61.1 Å²	61.1	8%	0.075	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-39.1	177.4	-69	-16.9	0	0	0	110.8	E89 L90 T97 E98 Y103 M104 Q105	E89-N101 WeakPolarHBondContact CA-OD1 3.47Å; E89-N101 HydrophobicContact CG-CB 4.47Å; L90-N101 PolarHBondContact N-OD1 3.27Å; L90-N101 PolarHBondContact O-ND2 3.47Å; L90-N101 VanDerWaalsContact O-ND2 3.08Å; T97-N101 PolarHBondContact O-N 2.83Å; E98-N101 PolarHBondContact O-N 3.16Å; N101-Y103 PolarHBondContact O-N 3.48Å; N101-M104 WeakPolarHBondContact O-CB 3.45Å; N101-M104 PolarHBondContact O-N 3.16Å; N101-Q105 VanDerWaalsContact O-CG 3.32Å; N101-Q105 WeakPolarHBondContact O-CG 3.28Å; N101-Q105 PolarHBondContact O-N 2.8Å
102	Q	96.5	Very high	94.5	Very high	76 Å²	76	55.4 Å²	55.4	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-40.5	171.6	-71.7	175.5	10.6	0	0	112.4	E98 W100 Q105 R106	E98-Q102 WeakPolarHBondContact O-CB 3.48Å; E98-Q102 VanDerWaalsContact O-CG 3.28Å; E98-Q102 WeakPolarHBondContact O-CG 3.43Å; E98-Q102 PolarHBondContact O-N 3.17Å; E98-Q102 PolarHBondContact OE1-NE2 2.93Å; W100-Q102 VanDerWaalsContact C-N 3.33Å; Q102-Q105 PolarHBondContact O-N 3.14Å; Q102-R106 WeakPolarHBondContact O-CG 3.5Å; Q102-R106 PolarHBondContact O-N 3.35Å
103	Y	96.4	Very high	93.9	Very high	11 Å²	11	62.5 Å²	62.5	4%	0.043	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-42.2	174.8	-169.6	-88.3	0	0	0	111.9	S99 W100 N101 Q105 R106 Q107 Y126 P352 H353	S99-Y103 PolarHBondContact O-N 2.73Å; W100-Y103 PolarHBondContact O-N 3.32Å; N101-Y103 PolarHBondContact O-N 3.48Å; Y103-Q105 VanDerWaalsContact C-N 3.29Å; Y103-Q105 PolarHBondContact O-N 3.33Å; Y103-R106 WeakPolarHBondContact O-CA 3.04Å; Y103-R106 WeakPolarHBondContact O-CB 3.33Å; Y103-R106 PolarHBondContact O-N 2.94Å; Y103-R106 VanDerWaalsContact O-N 3.08Å; Y103-Q107 HydrophobicContact CD1-CG 3.8Å; Y103-Q107 HydrophobicContact CE1-CG 3.52Å; Y103-Q107 WeakPolarHBondContact O-CG 3.4Å; Y103-Q107 PolarHBondContact O-N 2.81Å; Y103-Q107 PolarHBondContact OH-NE2 3.31Å; Y103-Y126 AromaticContact CD1-CD2 3.77Å; Y103-Y126 HydrophobicContact CD1-CD2 3.77Å; Y103-Y126 AromaticContact CD1-CE2 3.74Å; Y103-Y126 HydrophobicContact CD1-CE2 3.74Å; Y103-Y126 HydrophobicContact CD1-CG 4.35Å; Y103-Y126 HydrophobicContact CE1-CD1 4.46Å; Y103-Y126 AromaticContact CE1-CD2 3.58Å; Y103-Y126 HydrophobicContact CE1-CD2 3.58Å; Y103-Y126 HydrophobicContact CE1-CE2 4.05Å; Y103-Y126 AromaticContact CE1-CG 3.82Å; Y103-Y126 HydrophobicContact CE1-CG 3.82Å; Y103-P352 HydrophobicContact CD1-CB 4.04Å; Y103-P352 HydrophobicContact CD1-CG 3.32Å; Y103-P352 HydrophobicContact CD2-CG 3.98Å; Y103-P352 HydrophobicContact CE1-CB 3.75Å; Y103-P352 HydrophobicContact CE1-CG 3.53Å; Y103-P352 HydrophobicContact CE2-CG 4.15Å; Y103-P352 HydrophobicContact CG-CG 3.55Å; Y103-P352 PolarHBondContact OH-O 3.34Å; Y103-H353 AromaticContact CD2-CD2 3.52Å; Y103-H353 AromaticContact CD2-NE2 3.36Å; Y103-H353 WeakPolarHBondContact CD2-NE2 3.43Å; Y103-H353 AromaticContact CE2-CD2 3.61Å; Y103-H353 AromaticContact CE2-NE2 3.98Å
104	M	96.6	Very high	93	Very high	27 Å²	27	68.3 Å²	68.3	13%	0.133	34%	0.341	C	S	.	.	H	α-helix	trans	-56.9	-43.8	173.5	-176.5	179.9	164.3	0	0	111.3	L87 E89 W100 N101 R106 Q107 Q108 V117 Y126	L87-M104 HydrophobicContact CB-CE 4.23Å; L87-M104 WeakPolarHBondContact O-CE 2.96Å; E89-M104 HydrophobicContact CG-SD 4.16Å; W100-M104 PolarHBondContact O-N 3.22Å; N101-M104 WeakPolarHBondContact O-CB 3.45Å; N101-M104 PolarHBondContact O-N 3.16Å; M104-R106 PolarHBondContact O-N 3.47Å; M104-Q107 WeakPolarHBondContact O-CB 3.35Å; M104-Q107 PolarHBondContact O-N 3.32Å; M104-Q108 PolarHBondContact O-N 3.49Å; M104-V117 HydrophobicContact CE-CG2 3.79Å; M104-V117 HydrophobicContact CG-CG2 4Å; M104-Y126 WeakPolarHBondContact CA-OH 3.45Å; M104-Y126 VanDerWaalsContact CB-OH 3.27Å; M104-Y126 WeakPolarHBondContact CB-OH 3.28Å; M104-Y126 WeakPolarHBondContact CG-OH 3.45Å
105	Q	95.6	Very high	92.4	Very high	92 Å²	92	70.4 Å²	70.4	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-65.7	-35	175.3	-66.9	168.7	12.8	0	0	112.6	N101 Q102 Y103 Q108 R109	N101-Q105 VanDerWaalsContact O-CG 3.32Å; N101-Q105 WeakPolarHBondContact O-CG 3.28Å; N101-Q105 PolarHBondContact O-N 2.8Å; Q102-Q105 PolarHBondContact O-N 3.14Å; Y103-Q105 VanDerWaalsContact C-N 3.29Å; Y103-Q105 PolarHBondContact O-N 3.33Å; Q105-Q108 PolarHBondContact O-N 2.96Å; Q105-R109 WeakPolarHBondContact O-CG 3.48Å; Q105-R109 PolarHBondContact O-N 3.3Å; Q105-R109 PolarHBondContact O-NE 3.18Å
106	R	94.1	Very high	92.3	Very high	76 Å²	76	69.6 Å²	69.6	29%	0.287	34%	0.336	S	S	.	.	H	α-helix	trans	-61.7	-45.2	170.8	-68.1	173.2	-164.4	-172.2	5.4	110.9	Q102 Y103 M104 R109 Q110 D361	Q102-R106 WeakPolarHBondContact O-CG 3.5Å; Q102-R106 PolarHBondContact O-N 3.35Å; Y103-R106 WeakPolarHBondContact O-CA 3.04Å; Y103-R106 WeakPolarHBondContact O-CB 3.33Å; Y103-R106 PolarHBondContact O-N 2.94Å; Y103-R106 VanDerWaalsContact O-N 3.08Å; M104-R106 PolarHBondContact O-N 3.47Å; R106-R109 PolarHBondContact O-N 3.27Å; R106-Q110 WeakPolarHBondContact O-CG 3.28Å; R106-Q110 PolarHBondContact O-N 3.24Å; R106-Q110 VanDerWaalsContact O-N 3.11Å; R106-D361 IonicContact CZ-OD1 2.72Å; R106-D361 VanDerWaalsContact CZ-OD1 3.24Å; R106-D361 VanDerWaalsContact NH1-CG 3.26Å; R106-D361 IonicContact NH1-OD1 3.46Å; R106-D361 PolarHBondContact NH1-OD1 3.34Å; R106-D361 IonicContact NH1-OD2 3.55Å; R106-D361 PolarHBondContact NH1-OD2 3.03Å; R106-D361 IonicContact NH2-OD1 3.51Å; R106-D361 PolarHBondContact NH2-OD1 3.23Å
107	Q	94.3	Very high	92.3	Very high	12 Å²	12	69.1 Å²	69.1	6%	0.056	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-42.5	176.9	-67.7	-64.3	-38.9	0	0	112	Y103 M104 R109 Q110 L111 V117 Y126	Y103-Q107 HydrophobicContact CD1-CG 3.8Å; Y103-Q107 HydrophobicContact CE1-CG 3.52Å; Y103-Q107 WeakPolarHBondContact O-CG 3.4Å; Y103-Q107 PolarHBondContact O-N 2.81Å; Y103-Q107 PolarHBondContact OH-NE2 3.31Å; M104-Q107 WeakPolarHBondContact O-CB 3.35Å; M104-Q107 PolarHBondContact O-N 3.32Å; Q107-R109 VanDerWaalsContact C-N 3.35Å; Q107-R109 PolarHBondContact O-N 2.85Å; Q107-Q110 PolarHBondContact O-N 2.82Å; Q107-Q110 VanDerWaalsContact O-N 3.16Å; Q107-L111 PolarHBondContact O-N 2.77Å; Q107-V117 HydrophobicContact CB-CG1 3.94Å; Q107-Y126 HydrophobicContact CB-CD1 4.4Å; Q107-Y126 HydrophobicContact CB-CE1 4.14Å; Q107-Y126 HydrophobicContact CG-CD1 3.8Å; Q107-Y126 HydrophobicContact CG-CE1 3.87Å; Q107-Y126 HydrophobicContact CG-CG 4.34Å
108	Q	94.2	Very high	92.3	Very high	38 Å²	38	68.6 Å²	68.6	18%	0.178	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-43.4	175.7	-174.1	59.7	60.5	0	0	111.8	M104 Q105 Q110 L111 G112 E115 V117	M104-Q108 PolarHBondContact O-N 3.49Å; Q105-Q108 PolarHBondContact O-N 2.96Å; Q108-Q110 VanDerWaalsContact C-N 3.31Å; Q108-Q110 PolarHBondContact O-N 3.46Å; Q108-L111 PolarHBondContact O-N 3.32Å; Q108-G112 PolarHBondContact NE2-O 2.87Å; Q108-G112 PolarHBondContact O-N 2.84Å; Q108-E115 PolarHBondContact NE2-O 3.09Å; Q108-V117 HydrophobicContact CB-CG1 4.38Å; Q108-V117 VanDerWaalsContact OE1-N 3.13Å
109	R	92.7	Very high	92.3	Very high	183 Å²	183	63.2 Å²	63.2	69%	0.691	31%	0.305	S	S	*	.	H	α-helix	trans	-62.8	-35.3	175.5	-75.8	-176.4	-70.7	179.9	-3.2	113.1	Q105 R106 Q107	Q105-R109 WeakPolarHBondContact O-CG 3.48Å; Q105-R109 PolarHBondContact O-N 3.3Å; Q105-R109 PolarHBondContact O-NE 3.18Å; R106-R109 PolarHBondContact O-N 3.27Å; Q107-R109 VanDerWaalsContact C-N 3.35Å; Q107-R109 PolarHBondContact O-N 2.85Å
110	Q	88.1	Confident	92.3	Very high	139 Å²	139	63.4 Å²	63.4	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-71.8	-33.8	176.4	-71.5	179.2	3	0	0	112.6	R106 Q107 Q108	R106-Q110 WeakPolarHBondContact O-CG 3.28Å; R106-Q110 PolarHBondContact O-N 3.24Å; R106-Q110 VanDerWaalsContact O-N 3.11Å; Q107-Q110 PolarHBondContact O-N 2.82Å; Q107-Q110 VanDerWaalsContact O-N 3.16Å; Q108-Q110 VanDerWaalsContact C-N 3.31Å; Q108-Q110 PolarHBondContact O-N 3.46Å
111	L	86.4	Confident	92	Very high	53 Å²	53	66.4 Å²	66.4	28%	0.277	32%	0.315	S	S	.	.	H	α-helix	trans	-75.6	-31	176.2	-171.2	62.6	0	0	0	112.4	Q107 Q108 E115 V117	Q107-L111 PolarHBondContact O-N 2.77Å; Q108-L111 PolarHBondContact O-N 3.32Å; L111-E115 HydrophobicContact CD2-CB 3.97Å; L111-E115 WeakPolarHBondContact CD2-O 3.41Å; L111-E115 HydrophobicContact CG-CB 4.29Å; L111-V117 HydrophobicContact CD2-CG1 4.15Å
112	G	86.4	Confident	91.9	Very high	26 Å²	26	66 Å²	66	27%	0.268	31%	0.313	S	S	.	.			trans	89.2	179.8	-175.5	0	0	0	0	0	113.1	Q108 Q114	Q108-G112 PolarHBondContact NE2-O 2.87Å; Q108-G112 PolarHBondContact O-N 2.84Å; G112-Q114 VanDerWaalsContact C-N 3.31Å; G112-Q114 PolarHBondContact O-N 3.43Å
113	D	81.4	Confident	92	Very high	164 Å²	164	63.4 Å²	63.4	88%	0.877	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.1	-171.1	-60.8	-29.3	0	0	0	114.4
114	Q	77.2	Confident	92.1	Very high	191 Å²	191	63.1 Å²	63.1	89%	0.893	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-25.4	-174	-66.2	-175.1	-8.6	0	0	113.3	G112	G112-Q114 VanDerWaalsContact C-N 3.31Å; G112-Q114 PolarHBondContact O-N 3.43Å
115	E	83.9	Confident	92.1	Very high	80 Å²	80	62 Å²	62	37%	0.374	30%	0.297	S	S	.	.	S	Bend	trans	-137.6	146.3	-178.7	-60.9	-162.9	127.9	0	0	110.2	Q108 L111 K121	Q108-E115 PolarHBondContact NE2-O 3.09Å; L111-E115 HydrophobicContact CD2-CB 3.97Å; L111-E115 WeakPolarHBondContact CD2-O 3.41Å; L111-E115 HydrophobicContact CG-CB 4.29Å; E115-K121 VanDerWaalsContact CD-NZ 3.31Å; E115-K121 IonicContact OE1-NZ 3.79Å; E115-K121 PolarHBondContact OE1-NZ 3.45Å; E115-K121 IonicContact OE2-NZ 3.54Å
116	L	92.6	Very high	92.3	Very high	105 Å²	105	57.8 Å²	57.8	55%	0.55	28%	0.277	S	S	.	.			trans	-84.3	146.7	170.8	-63.1	175.5	0	0	0	110.2	P86 S118	P86-L116 HydrophobicContact CB-CB 3.97Å; P86-L116 HydrophobicContact CB-CD1 3.85Å; P86-L116 HydrophobicContact CG-CB 4.17Å; P86-L116 HydrophobicContact CG-CD1 3.67Å; L116-S118 PolarHBondContact O-N 3.41Å
117	V	95.4	Very high	92.5	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.012	26%	0.263	C	S	.	.			trans	-56.5	126.1	168.4	-68.9	0	0	0	0	110	P86 L87 M104 Q107 Q108 L111	P86-V117 CarbonylContact C-O 3.55Å; P86-V117 WeakPolarHBondContact CA-O 3.46Å; L87-V117 HydrophobicContact CB-CG2 4.22Å; L87-V117 HydrophobicContact CD1-CB 4.35Å; L87-V117 HydrophobicContact CD1-CG2 4.35Å; L87-V117 PolarHBondContact N-O 2.68Å; M104-V117 HydrophobicContact CE-CG2 3.79Å; M104-V117 HydrophobicContact CG-CG2 4Å; Q107-V117 HydrophobicContact CB-CG1 3.94Å; Q108-V117 HydrophobicContact CB-CG1 4.38Å; Q108-V117 VanDerWaalsContact OE1-N 3.13Å; L111-V117 HydrophobicContact CD2-CG1 4.15Å
118	S	96.6	Very high	92.7	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.028	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-139.8	172.1	-178.3	78.5	0	0	0	0	111.3	D84 L116 F120 K121 S122	D84-S118 WeakPolarHBondContact OD1-CB 3.5Å; D84-S118 PolarHBondContact OD1-OG 3.16Å; D84-S118 PolarHBondContact OD2-OG 2.83Å; L116-S118 PolarHBondContact O-N 3.41Å; S118-F120 PolarHBondContact O-N 3.37Å; S118-K121 PolarHBondContact O-N 2.72Å; S118-K121 WeakPolarHBondContact OG-CB 3.42Å; S118-K121 WeakPolarHBondContact OG-CG 3.4Å; S118-S122 PolarHBondContact N-OG 2.77Å; S118-S122 VanDerWaalsContact N-OG 3.1Å; S118-S122 VanDerWaalsContact O-CB 3.29Å; S118-S122 WeakPolarHBondContact O-CB 3.45Å; S118-S122 PolarHBondContact O-N 2.91Å; S118-S122 PolarHBondContact O-OG 2.87Å
119	W	97.9	Very high	92.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-42.9	-175	-62	93.6	0	0	0	113.6	I33 M37 L77 E80 L81 D84 K85 L87 V127 Y130 M131	I33-W119 HydrophobicContact CG2-CB 4.49Å; M37-W119 HydrophobicContact CE-CE3 4.25Å; M37-W119 HydrophobicContact CE-CZ3 3.97Å; L77-W119 HydrophobicContact CD1-CH2 3.7Å; L77-W119 HydrophobicContact CD1-CZ2 3.65Å; E80-W119 PolarHBondContact O-NE1 2.81Å; L81-W119 HydrophobicContact CB-CD2 3.83Å; L81-W119 HydrophobicContact CB-CE3 4.1Å; L81-W119 HydrophobicContact CB-CG 4.26Å; L81-W119 HydrophobicContact CB-CH2 4.45Å; L81-W119 HydrophobicContact CB-CZ2 4.19Å; L81-W119 HydrophobicContact CB-CZ3 4.41Å; L81-W119 HydrophobicContact CD1-CD2 4.48Å; L81-W119 HydrophobicContact CD1-CE3 3.92Å; L81-W119 HydrophobicContact CD1-CZ3 3.96Å; L81-W119 HydrophobicContact CG-CD2 3.86Å; L81-W119 HydrophobicContact CG-CE3 3.76Å; L81-W119 HydrophobicContact CG-CG 4.26Å; L81-W119 HydrophobicContact CG-CZ3 4.23Å; D84-W119 PolarHBondContact OD1-N 3.27Å; K85-W119 PolarHBondContact O-NE1 3.03Å; L87-W119 HydrophobicContact CD2-CD2 3.76Å; L87-W119 HydrophobicContact CD2-CE3 4.23Å; L87-W119 HydrophobicContact CD2-CG 4.12Å; L87-W119 HydrophobicContact CD2-CH2 4.37Å; L87-W119 HydrophobicContact CD2-CZ2 3.93Å; L87-W119 HydrophobicContact CD2-CZ3 4.5Å; W119-V127 HydrophobicContact CE3-CB 4.27Å; W119-Y130 AromaticContact CH2-CD1 3.65Å; W119-Y130 HydrophobicContact CH2-CD1 3.65Å; W119-Y130 AromaticContact CH2-CE1 3.85Å; W119-Y130 HydrophobicContact CH2-CE1 3.85Å; W119-Y130 HydrophobicContact CZ2-CD1 4.14Å; W119-Y130 AromaticContact CZ2-CE1 3.9Å; W119-Y130 HydrophobicContact CZ2-CE1 3.9Å; W119-Y130 HydrophobicContact CZ3-CD1 4.12Å; W119-M131 HydrophobicContact CH2-CB 4.33Å; W119-M131 HydrophobicContact CZ3-CB 4Å
120	F	96.3	Very high	93.2	Very high	35 Å²	35	44 Å²	44	15%	0.154	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.4	-175.8	-75.7	-101.5	0	0	0	113.5	A22 K23 Y30 I33 R34 D84 S118	A22-F120 CarbonylContact C-O 3.5Å; A22-F120 VanDerWaalsContact C-O 3.23Å; A22-F120 HydrophobicContact CB-CB 4.22Å; A22-F120 HydrophobicContact CB-CD1 3.75Å; A22-F120 HydrophobicContact CB-CE1 4.48Å; A22-F120 HydrophobicContact CB-CG 4.25Å; K23-F120 PolarHBondContact N-O 2.94Å; K23-F120 VanDerWaalsContact N-O 3.08Å; Y30-F120 AromaticContact CD2-CD1 3.85Å; Y30-F120 HydrophobicContact CD2-CD1 3.85Å; Y30-F120 AromaticContact CD2-CE1 3.86Å; Y30-F120 HydrophobicContact CD2-CE1 3.86Å; Y30-F120 AromaticContact CE2-CD1 3.77Å; Y30-F120 HydrophobicContact CE2-CD1 3.77Å; Y30-F120 AromaticContact CE2-CE1 3.61Å; Y30-F120 HydrophobicContact CE2-CE1 3.61Å; I33-F120 HydrophobicContact CG2-CD1 4.41Å; I33-F120 HydrophobicContact CG2-CD2 4.16Å; I33-F120 HydrophobicContact CG2-CE1 4.13Å; I33-F120 HydrophobicContact CG2-CE2 3.88Å; I33-F120 HydrophobicContact CG2-CG 4.42Å; I33-F120 HydrophobicContact CG2-CZ 3.86Å; R34-F120 HydrophobicContact CB-CE1 4.15Å; R34-F120 HydrophobicContact CB-CZ 4.17Å; D84-F120 HydrophobicContact CB-CD2 3.79Å; D84-F120 HydrophobicContact CB-CE2 4.49Å; D84-F120 PolarHBondContact OD1-N 3.32Å; S118-F120 PolarHBondContact O-N 3.37Å
121	K	92	Very high	93.7	Very high	67 Å²	67	37.3 Å²	37.3	29%	0.291	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-26.8	-174.6	-61.6	-177.8	-175.4	-171	0	114	K23 E115 S118	K23-K121 WeakPolarHBondContact CE-O 3.35Å; E115-K121 VanDerWaalsContact CD-NZ 3.31Å; E115-K121 IonicContact OE1-NZ 3.79Å; E115-K121 PolarHBondContact OE1-NZ 3.45Å; E115-K121 IonicContact OE2-NZ 3.54Å; S118-K121 PolarHBondContact O-N 2.72Å; S118-K121 WeakPolarHBondContact OG-CB 3.42Å; S118-K121 WeakPolarHBondContact OG-CG 3.4Å
122	S	96.2	Very high	94.3	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.028	18%	0.179	C	C	.	.	S	Bend	trans	-83.6	166.4	-176.1	-45.8	0	0	0	0	111.1	S21 S118 W124	S21-S122 WeakPolarHBondContact CB-O 3.33Å; S118-S122 PolarHBondContact N-OG 2.77Å; S118-S122 VanDerWaalsContact N-OG 3.1Å; S118-S122 VanDerWaalsContact O-CB 3.29Å; S118-S122 WeakPolarHBondContact O-CB 3.45Å; S118-S122 PolarHBondContact O-N 2.91Å; S118-S122 PolarHBondContact O-OG 2.87Å; S122-W124 PolarHBondContact O-N 2.96Å
123	P	97.3	Very high	94.9	Very high	23 Å²	23	33.7 Å²	33.7	15%	0.149	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-51.9	137.8	174.3	-29.5	38	0	0	0	112.2	L125 Y126 V127	P123-L125 PolarHBondContact O-N 2.72Å; P123-Y126 PolarHBondContact O-N 3.41Å; P123-Y126 VanDerWaalsContact O-N 3.13Å; P123-V127 PolarHBondContact O-N 2.94Å; P123-V127 VanDerWaalsContact O-N 3.1Å
124	W	98.3	Very high	95.7	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-59.2	-49	-177.6	175.7	25.4	0	0	0	111.6	L20 F28 A29 T32 I33 S122 Y126 V127 E128 R384 A418	L20-W124 HydrophobicContact CB-CE3 4.14Å; L20-W124 HydrophobicContact CD1-CE3 4.19Å; L20-W124 HydrophobicContact CD1-CZ3 4.26Å; L20-W124 WeakPolarHBondContact O-CB 3.37Å; L20-W124 PolarHBondContact O-N 3Å; F28-W124 AromaticContact CD1-CH2 3.6Å; F28-W124 HydrophobicContact CD1-CH2 3.6Å; F28-W124 HydrophobicContact CD1-CZ2 4.11Å; F28-W124 HydrophobicContact CD1-CZ3 4.3Å; F28-W124 AromaticContact CE1-CH2 3.84Å; F28-W124 HydrophobicContact CE1-CH2 3.84Å; F28-W124 HydrophobicContact CE1-CZ2 4.19Å; A29-W124 HydrophobicContact CB-CB 3.92Å; A29-W124 HydrophobicContact CB-CD2 3.61Å; A29-W124 HydrophobicContact CB-CE3 3.73Å; A29-W124 HydrophobicContact CB-CG 3.71Å; T32-W124 HydrophobicContact CG2-CZ2 4.03Å; I33-W124 HydrophobicContact CD1-CG 4.46Å; S122-W124 PolarHBondContact O-N 2.96Å; W124-Y126 VanDerWaalsContact C-N 3.26Å; W124-Y126 PolarHBondContact O-N 2.87Å; W124-V127 WeakPolarHBondContact O-CG2 3.22Å; W124-V127 PolarHBondContact O-N 3.47Å; W124-E128 PolarHBondContact NE1-OE2 3.4Å; W124-E128 VanDerWaalsContact NE1-OE2 3.09Å; W124-E128 WeakPolarHBondContact O-CB 3.47Å; W124-E128 PolarHBondContact O-N 2.82Å; W124-R384 VanDerWaalsContact CD2-NH2 3.27Å; W124-A418 HydrophobicContact CH2-CB 3.74Å; W124-A418 HydrophobicContact CZ3-CB 3.72Å
125	L	98.4	Very high	96.7	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.026	9%	0.087	C	C	.	.	H	α-helix	trans	-48.6	-48.1	173.2	-178.7	62.7	0	0	0	112.2	P123 C129 E354 L381 K385 D389	P123-L125 PolarHBondContact O-N 2.72Å; L125-C129 WeakPolarHBondContact O-CB 3.21Å; L125-C129 PolarHBondContact O-N 3.36Å; L125-C129 VanDerWaalsContact O-N 3.08Å; L125-C129 PolarHBondContact O-SG 3.47Å; L125-E354 HydrophobicContact CD2-CG 4.24Å; L125-L381 HydrophobicContact CD1-CD1 3.68Å; L125-K385 HydrophobicContact CD1-CG 3.96Å; L125-K385 HydrophobicContact CD2-CG 4.12Å; L125-D389 HydrophobicContact CB-CB 3.83Å; L125-D389 HydrophobicContact CD2-CB 4.23Å; L125-D389 PolarHBondContact N-OD2 2.76Å; L125-D389 VanDerWaalsContact N-OD2 3.14Å
126	Y	98.3	Very high	97.4	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-64.3	-51.4	-178.3	172.3	-137.8	0	0	0	112.4	L87 W100 Y103 M104 Q107 P123 W124 E128 C129 Y130 P352	L87-Y126 HydrophobicContact CD1-CD1 4.21Å; L87-Y126 HydrophobicContact CD1-CE1 3.44Å; L87-Y126 VanDerWaalsContact CD1-CE1 3.44Å; W100-Y126 HydrophobicContact CE3-CE2 4.42Å; W100-Y126 HydrophobicContact CZ3-CD2 4.44Å; W100-Y126 HydrophobicContact CZ3-CE2 4.14Å; Y103-Y126 AromaticContact CD1-CD2 3.77Å; Y103-Y126 HydrophobicContact CD1-CD2 3.77Å; Y103-Y126 AromaticContact CD1-CE2 3.74Å; Y103-Y126 HydrophobicContact CD1-CE2 3.74Å; Y103-Y126 HydrophobicContact CD1-CG 4.35Å; Y103-Y126 HydrophobicContact CE1-CD1 4.46Å; Y103-Y126 AromaticContact CE1-CD2 3.58Å; Y103-Y126 HydrophobicContact CE1-CD2 3.58Å; Y103-Y126 HydrophobicContact CE1-CE2 4.05Å; Y103-Y126 AromaticContact CE1-CG 3.82Å; Y103-Y126 HydrophobicContact CE1-CG 3.82Å; M104-Y126 WeakPolarHBondContact CA-OH 3.45Å; M104-Y126 VanDerWaalsContact CB-OH 3.27Å; M104-Y126 WeakPolarHBondContact CB-OH 3.28Å; M104-Y126 WeakPolarHBondContact CG-OH 3.45Å; Q107-Y126 HydrophobicContact CB-CD1 4.4Å; Q107-Y126 HydrophobicContact CB-CE1 4.14Å; Q107-Y126 HydrophobicContact CG-CD1 3.8Å; Q107-Y126 HydrophobicContact CG-CE1 3.87Å; Q107-Y126 HydrophobicContact CG-CG 4.34Å; P123-Y126 PolarHBondContact O-N 3.41Å; P123-Y126 VanDerWaalsContact O-N 3.13Å; W124-Y126 VanDerWaalsContact C-N 3.26Å; W124-Y126 PolarHBondContact O-N 2.87Å; Y126-E128 VanDerWaalsContact C-N 3.3Å; Y126-E128 PolarHBondContact O-N 2.7Å; Y126-C129 PolarHBondContact O-N 3.02Å; Y126-Y130 HydrophobicContact CE2-CD2 4.5Å; Y126-Y130 VanDerWaalsContact O-CB 3.29Å; Y126-Y130 WeakPolarHBondContact O-CB 3.2Å; Y126-Y130 PolarHBondContact O-N 3.43Å; Y126-P352 HydrophobicContact CD2-CB 3.61Å; Y126-P352 HydrophobicContact CD2-CG 4Å; Y126-P352 HydrophobicContact CE2-CB 4.37Å; Y126-P352 HydrophobicContact CE2-CG 4.3Å
127	V	98.4	Very high	97.7	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.3	-31.6	-174.9	-60.3	0	0	0	0	112.5	I33 L87 W119 P123 W124 M131	I33-V127 HydrophobicContact CD1-CG2 3.6Å; I33-V127 HydrophobicContact CG1-CG2 4.06Å; L87-V127 HydrophobicContact CD1-CG1 4.3Å; W119-V127 HydrophobicContact CE3-CB 4.27Å; P123-V127 PolarHBondContact O-N 2.94Å; P123-V127 VanDerWaalsContact O-N 3.1Å; W124-V127 WeakPolarHBondContact O-CG2 3.22Å; W124-V127 PolarHBondContact O-N 3.47Å; V127-M131 PolarHBondContact O-N 3.33Å
128	E	98.4	Very high	97.8	Very high	16 Å²	16	11.2 Å²	11.2	8%	0.075	5%	0.054	C	C	.	.	H	α-helix	trans	-69.8	-47.1	175.9	-161.4	171.4	-152.3	0	0	110.8	M37 W124 Y126 Y130 M131 Y132 F301 R384	M37-E128 HydrophobicContact SD-CG 4.44Å; W124-E128 PolarHBondContact NE1-OE2 3.4Å; W124-E128 VanDerWaalsContact NE1-OE2 3.09Å; W124-E128 WeakPolarHBondContact O-CB 3.47Å; W124-E128 PolarHBondContact O-N 2.82Å; Y126-E128 VanDerWaalsContact C-N 3.3Å; Y126-E128 PolarHBondContact O-N 2.7Å; E128-Y130 VanDerWaalsContact C-N 3.34Å; E128-Y130 PolarHBondContact O-N 3.49Å; E128-M131 WeakPolarHBondContact O-CB 3.31Å; E128-M131 PolarHBondContact O-N 2.63Å; E128-Y132 HydrophobicContact CG-CE2 4.22Å; E128-Y132 WeakPolarHBondContact O-CD2 2.95Å; E128-Y132 PolarHBondContact O-N 3.43Å; E128-F301 HydrophobicContact CB-CE1 4.41Å; E128-F301 HydrophobicContact CB-CZ 4.01Å; E128-F301 HydrophobicContact CG-CE1 3.58Å; E128-F301 HydrophobicContact CG-CZ 3.58Å; E128-R384 IonicContact OE2-CZ 3.22Å; E128-R384 IonicContact OE2-NH1 3.64Å; E128-R384 PolarHBondContact OE2-NH1 3.29Å; E128-R384 IonicContact OE2-NH2 2.63Å; E128-R384 PolarHBondContact OE2-NH2 2.71Å; E128-R384 VanDerWaalsContact OE2-NH2 3.11Å
129	C	98.8	Very high	97.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-57.9	-45.1	171.7	-69.4	0	0	0	0	112	W100 L125 Y126 M131 Y132 R133 W300 P352	W100-C129 HydrophobicContact CH2-CB 3.83Å; W100-C129 HydrophobicContact CZ3-CB 4.49Å; L125-C129 WeakPolarHBondContact O-CB 3.21Å; L125-C129 PolarHBondContact O-N 3.36Å; L125-C129 VanDerWaalsContact O-N 3.08Å; L125-C129 PolarHBondContact O-SG 3.47Å; Y126-C129 PolarHBondContact O-N 3.02Å; C129-M131 VanDerWaalsContact C-N 3.32Å; C129-M131 PolarHBondContact O-N 2.92Å; C129-Y132 PolarHBondContact O-N 3.48Å; C129-R133 PolarHBondContact O-N 2.92Å; C129-R133 VanDerWaalsContact O-N 3.07Å; C129-W300 HydrophobicContact CB-CH2 3.61Å; C129-W300 HydrophobicContact CB-CZ2 3.84Å; C129-W300 WeakPolarHBondContact O-CH2 3.45Å; C129-W300 VanDerWaalsContact SG-CZ2 3.54Å; C129-P352 HydrophobicContact CB-CB 4.02Å
130	Y	98.8	Very high	97.9	Very high	3 Å²	3	15.3 Å²	15.3	1%	0.012	7%	0.069	C	C	.	.	H	α-helix	trans	-61.8	-38.3	179.9	177.4	-98	0	0	0	112.3	L87 L88 L90 W100 W119 Y126 E128 Y132 R133 R134	L87-Y130 HydrophobicContact CB-CE1 4.18Å; L87-Y130 HydrophobicContact CD1-CD1 4.48Å; L87-Y130 HydrophobicContact CD2-CD1 3.71Å; L87-Y130 HydrophobicContact CD2-CE1 3.62Å; L87-Y130 HydrophobicContact CG-CE1 4.36Å; L88-Y130 PolarHBondContact N-OH 3.31Å; L88-Y130 WeakPolarHBondContact O-CE2 3.06Å; L88-Y130 PolarHBondContact O-OH 2.58Å; L90-Y130 HydrophobicContact CD2-CE2 4.18Å; W100-Y130 HydrophobicContact CZ3-CD2 4.46Å; W119-Y130 AromaticContact CH2-CD1 3.65Å; W119-Y130 HydrophobicContact CH2-CD1 3.65Å; W119-Y130 AromaticContact CH2-CE1 3.85Å; W119-Y130 HydrophobicContact CH2-CE1 3.85Å; W119-Y130 HydrophobicContact CZ2-CD1 4.14Å; W119-Y130 AromaticContact CZ2-CE1 3.9Å; W119-Y130 HydrophobicContact CZ2-CE1 3.9Å; W119-Y130 HydrophobicContact CZ3-CD1 4.12Å; Y126-Y130 HydrophobicContact CE2-CD2 4.5Å; Y126-Y130 VanDerWaalsContact O-CB 3.29Å; Y126-Y130 WeakPolarHBondContact O-CB 3.2Å; Y126-Y130 PolarHBondContact O-N 3.43Å; E128-Y130 VanDerWaalsContact C-N 3.34Å; E128-Y130 PolarHBondContact O-N 3.49Å; Y130-Y132 PolarHBondContact O-N 2.8Å; Y130-R133 PolarHBondContact O-N 3.35Å; Y130-R134 HydrophobicContact CD1-CG 3.96Å; Y130-R134 HydrophobicContact CD2-CG 4.36Å; Y130-R134 HydrophobicContact CE1-CG 3.47Å; Y130-R134 VanDerWaalsContact CE1-CG 3.47Å; Y130-R134 HydrophobicContact CE2-CG 3.93Å; Y130-R134 HydrophobicContact CG-CG 4.39Å; Y130-R134 VanDerWaalsContact CZ-CG 3.46Å; Y130-R134 WeakPolarHBondContact O-CB 3.34Å; Y130-R134 WeakPolarHBondContact O-CG 3.5Å; Y130-R134 PolarHBondContact O-N 3.41Å; Y130-R134 WeakPolarHBondContact OH-CD 3.41Å; Y130-R134 PolarHBondContact OH-NH1 2.97Å
131	M	98.8	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57	-50.2	174.7	-174.6	-166.5	64.9	0	0	111.6	M37 I40 L41 L81 W119 V127 E128 C129 R133 R134 I135	M37-M131 HydrophobicContact CB-SD 3.65Å; M37-M131 HydrophobicContact CE-CB 3.47Å; M37-M131 VanDerWaalsContact CE-CB 3.47Å; M37-M131 HydrophobicContact CE-CE 4.21Å; M37-M131 HydrophobicContact CE-CG 3.91Å; M37-M131 HydrophobicContact CE-SD 3.48Å; M37-M131 WeakPolarHBondContact CE-SD 3.3Å; M37-M131 HydrophobicContact CG-CE 4.26Å; M37-M131 HydrophobicContact CG-SD 3.89Å; I40-M131 HydrophobicContact CG2-CE 4.21Å; L41-M131 HydrophobicContact CD1-CG 4.29Å; L41-M131 HydrophobicContact CD1-SD 4.12Å; L41-M131 HydrophobicContact CD2-CG 4.16Å; L41-M131 HydrophobicContact CD2-SD 4.34Å; L41-M131 HydrophobicContact CG-CG 4.3Å; L41-M131 HydrophobicContact CG-SD 3.93Å; L81-M131 HydrophobicContact CD1-SD 4.34Å; W119-M131 HydrophobicContact CH2-CB 4.33Å; W119-M131 HydrophobicContact CZ3-CB 4Å; V127-M131 PolarHBondContact O-N 3.33Å; E128-M131 WeakPolarHBondContact O-CB 3.31Å; E128-M131 PolarHBondContact O-N 2.63Å; C129-M131 VanDerWaalsContact C-N 3.32Å; C129-M131 PolarHBondContact O-N 2.92Å; M131-R133 VanDerWaalsContact C-N 3.32Å; M131-R133 PolarHBondContact O-N 3.32Å; M131-R134 PolarHBondContact O-N 2.99Å; M131-I135 HydrophobicContact CE-CD1 4.46Å; M131-I135 HydrophobicContact CG-CD1 4.38Å; M131-I135 WeakPolarHBondContact O-CG1 3.28Å; M131-I135 PolarHBondContact O-N 3.36Å
132	Y	98.8	Very high	98.3	Very high	2 Å²	2	15 Å²	15	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-65.7	-36.2	-179.9	-70	-74	0	0	0	112.1	I40 E128 C129 Y130 R134 I135 Q136 F151 W300 F301 V302	I40-Y132 HydrophobicContact CG2-CE1 4.26Å; E128-Y132 HydrophobicContact CG-CE2 4.22Å; E128-Y132 WeakPolarHBondContact O-CD2 2.95Å; E128-Y132 PolarHBondContact O-N 3.43Å; C129-Y132 PolarHBondContact O-N 3.48Å; Y130-Y132 PolarHBondContact O-N 2.8Å; Y132-R134 VanDerWaalsContact C-N 3.35Å; Y132-R134 PolarHBondContact O-N 3.22Å; Y132-I135 HydrophobicContact CD1-CD1 4.13Å; Y132-I135 WeakPolarHBondContact O-CB 3.27Å; Y132-I135 PolarHBondContact O-N 3.49Å; Y132-Q136 PolarHBondContact O-N 3.46Å; Y132-F151 AromaticContact CD1-CE2 3.99Å; Y132-F151 HydrophobicContact CD1-CE2 3.99Å; Y132-F151 AromaticContact CD1-CZ 3.96Å; Y132-F151 HydrophobicContact CD1-CZ 3.96Å; Y132-F151 HydrophobicContact CE1-CE2 4.1Å; Y132-F151 AromaticContact CE1-CZ 3.79Å; Y132-F151 HydrophobicContact CE1-CZ 3.79Å; Y132-W300 HydrophobicContact CG-CE3 4.43Å; Y132-F301 AromaticContact CD2-CD2 3.43Å; Y132-F301 HydrophobicContact CD2-CD2 3.43Å; Y132-F301 VanDerWaalsContact CD2-CD2 3.43Å; Y132-F301 AromaticContact CD2-CE2 3.52Å; Y132-F301 HydrophobicContact CD2-CE2 3.52Å; Y132-F301 HydrophobicContact CD2-CG 4.01Å; Y132-F301 HydrophobicContact CD2-CZ 4.16Å; Y132-F301 HydrophobicContact CE2-CB 4.26Å; Y132-F301 AromaticContact CE2-CD1 3.9Å; Y132-F301 HydrophobicContact CE2-CD1 3.9Å; Y132-F301 AromaticContact CE2-CD2 3.56Å; Y132-F301 HydrophobicContact CE2-CD2 3.56Å; Y132-F301 HydrophobicContact CE2-CE1 4.12Å; Y132-F301 AromaticContact CE2-CE2 3.81Å; Y132-F301 HydrophobicContact CE2-CE2 3.81Å; Y132-F301 AromaticContact CE2-CG 3.64Å; Y132-F301 HydrophobicContact CE2-CG 3.64Å; Y132-F301 HydrophobicContact CE2-CZ 4.1Å; Y132-F301 HydrophobicContact CG-CD2 4.21Å; Y132-V302 HydrophobicContact CE1-CG2 4.18Å
133	R	98.8	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.4	-34.9	173.9	-175.8	61.2	-174.8	72.8	2.3	113	L90 D92 D96 W100 C129 Y130 M131 Q136 E137 F298	L90-R133 HydrophobicContact CD1-CG 3.47Å; L90-R133 VanDerWaalsContact CD1-CG 3.47Å; L90-R133 HydrophobicContact CD2-CG 4.35Å; D92-R133 VanDerWaalsContact CG-NH2 3.34Å; D92-R133 IonicContact OD1-CZ 3.51Å; D92-R133 IonicContact OD1-NH1 3.99Å; D92-R133 IonicContact OD1-NH2 3.73Å; D92-R133 PolarHBondContact OD1-NH2 2.82Å; D92-R133 IonicContact OD2-CZ 3.66Å; D92-R133 VanDerWaalsContact OD2-CZ 3.26Å; D92-R133 IonicContact OD2-NH1 3.44Å; D92-R133 PolarHBondContact OD2-NH1 3.14Å; D92-R133 IonicContact OD2-NH2 3.89Å; D92-R133 PolarHBondContact OD2-NH2 3.3Å; D96-R133 IonicContact OD1-CZ 2.71Å; D96-R133 IonicContact OD1-NE 2.76Å; D96-R133 PolarHBondContact OD1-NE 3.2Å; D96-R133 VanDerWaalsContact OD1-NE 3.09Å; D96-R133 IonicContact OD1-NH2 3.24Å; D96-R133 PolarHBondContact OD1-NH2 2.89Å; D96-R133 IonicContact OD2-CZ 3.89Å; D96-R133 IonicContact OD2-NE 3.26Å; D96-R133 PolarHBondContact OD2-NE 2.89Å; W100-R133 HydrophobicContact CD2-CB 4.49Å; W100-R133 HydrophobicContact CD2-CG 4.04Å; W100-R133 HydrophobicContact CG-CG 4.36Å; W100-R133 HydrophobicContact CH2-CB 3.79Å; W100-R133 HydrophobicContact CH2-CG 4.36Å; W100-R133 HydrophobicContact CZ2-CB 3.52Å; W100-R133 HydrophobicContact CZ2-CG 3.75Å; W100-R133 HydrophobicContact CZ3-CB 4.41Å; C129-R133 PolarHBondContact O-N 2.92Å; C129-R133 VanDerWaalsContact O-N 3.07Å; Y130-R133 PolarHBondContact O-N 3.35Å; M131-R133 VanDerWaalsContact C-N 3.32Å; M131-R133 PolarHBondContact O-N 3.32Å; R133-Q136 WeakPolarHBondContact O-CB 3Å; R133-Q136 PolarHBondContact O-N 2.89Å; R133-E137 PolarHBondContact O-N 2.99Å; R133-F298 HydrophobicContact CB-CZ 4.43Å
134	R	98.8	Very high	98.3	Very high	19 Å²	19	19.9 Å²	19.9	7%	0.072	10%	0.103	C	C	.	.	H	α-helix	trans	-71.4	-29.9	172.4	-72.2	-68.8	-60.8	-65	-9.6	112.8	L77 E80 L90 Y130 M131 Y132 E137 A138	L77-R134 HydrophobicContact CD1-CB 3.76Å; L77-R134 HydrophobicContact CD1-CG 4.06Å; L77-R134 HydrophobicContact CD2-CB 3.58Å; L77-R134 HydrophobicContact CG-CB 4.33Å; E80-R134 IonicContact OE1-NH2 2.68Å; E80-R134 IonicContact OE2-CZ 3.36Å; E80-R134 IonicContact OE2-NH1 2.72Å; E80-R134 PolarHBondContact OE2-NH1 3.23Å; E80-R134 IonicContact OE2-NH2 2.9Å; E80-R134 PolarHBondContact OE2-NH2 2.78Å; L90-R134 HydrophobicContact CD2-CG 4.14Å; Y130-R134 HydrophobicContact CD1-CG 3.96Å; Y130-R134 HydrophobicContact CD2-CG 4.36Å; Y130-R134 HydrophobicContact CE1-CG 3.47Å; Y130-R134 VanDerWaalsContact CE1-CG 3.47Å; Y130-R134 HydrophobicContact CE2-CG 3.93Å; Y130-R134 HydrophobicContact CG-CG 4.39Å; Y130-R134 VanDerWaalsContact CZ-CG 3.46Å; Y130-R134 WeakPolarHBondContact O-CB 3.34Å; Y130-R134 WeakPolarHBondContact O-CG 3.5Å; Y130-R134 PolarHBondContact O-N 3.41Å; Y130-R134 WeakPolarHBondContact OH-CD 3.41Å; Y130-R134 PolarHBondContact OH-NH1 2.97Å; M131-R134 PolarHBondContact O-N 2.99Å; Y132-R134 VanDerWaalsContact C-N 3.35Å; Y132-R134 PolarHBondContact O-N 3.22Å; R134-E137 WeakPolarHBondContact CD-OE2 3.18Å; R134-E137 IonicContact CZ-OE2 2.98Å; R134-E137 IonicContact NE-OE2 2.79Å; R134-E137 PolarHBondContact NE-OE2 3.31Å; R134-A138 WeakPolarHBondContact O-CB 3.46Å; R134-A138 PolarHBondContact O-N 3.05Å
135	I	98.7	Very high	98.3	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-64.1	-47.6	168.8	-66.6	168.3	0	0	0	109.5	L41 L74 L77 M131 Y132 E137 A138 I139 V150 F151	L41-I135 HydrophobicContact CD2-CD1 3.68Å; L41-I135 HydrophobicContact CD2-CG1 3.66Å; L74-I135 HydrophobicContact CD2-CB 4.23Å; L74-I135 HydrophobicContact CD2-CG1 3.91Å; L74-I135 HydrophobicContact CD2-CG2 4.3Å; L77-I135 HydrophobicContact CD2-CG1 4.2Å; M131-I135 HydrophobicContact CE-CD1 4.46Å; M131-I135 HydrophobicContact CG-CD1 4.38Å; M131-I135 WeakPolarHBondContact O-CG1 3.28Å; M131-I135 PolarHBondContact O-N 3.36Å; Y132-I135 HydrophobicContact CD1-CD1 4.13Å; Y132-I135 WeakPolarHBondContact O-CB 3.27Å; Y132-I135 PolarHBondContact O-N 3.49Å; I135-E137 PolarHBondContact O-N 3.46Å; I135-A138 PolarHBondContact O-N 3.23Å; I135-I139 PolarHBondContact O-N 3.33Å; I135-I139 VanDerWaalsContact O-N 3.09Å; I135-V150 HydrophobicContact CG2-CG2 3.97Å; I135-F151 HydrophobicContact CD1-CZ 4.15Å
136	Q	98.4	Very high	98.2	Very high	25 Å²	25	21.4 Å²	21.4	12%	0.117	11%	0.111	C	C	.	.	H	α-helix	trans	-59.2	-44.8	176.3	179.9	58.6	30.6	0	0	112	L94 Y132 R133 A138 I139 W140 F298	L94-Q136 HydrophobicContact CD1-CG 4.43Å; Y132-Q136 PolarHBondContact O-N 3.46Å; R133-Q136 WeakPolarHBondContact O-CB 3Å; R133-Q136 PolarHBondContact O-N 2.89Å; Q136-A138 VanDerWaalsContact C-N 3.34Å; Q136-A138 PolarHBondContact O-N 3.02Å; Q136-I139 PolarHBondContact O-N 3.26Å; Q136-W140 VanDerWaalsContact O-CB 3.32Å; Q136-W140 WeakPolarHBondContact O-CB 3.49Å; Q136-W140 PolarHBondContact O-N 2.71Å; Q136-F298 HydrophobicContact CB-CD2 3.71Å; Q136-F298 HydrophobicContact CB-CE2 3.84Å; Q136-F298 HydrophobicContact CB-CG 4.34Å; Q136-F298 HydrophobicContact CG-CB 4.17Å; Q136-F298 HydrophobicContact CG-CD1 4.4Å; Q136-F298 HydrophobicContact CG-CD2 3.76Å; Q136-F298 HydrophobicContact CG-CE2 4.21Å; Q136-F298 HydrophobicContact CG-CG 3.88Å
137	E	98.5	Very high	98	Very high	16 Å²	16	27.9 Å²	27.9	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-56.4	-47.7	174.3	177.6	179.4	-114.7	0	0	111.4	L90 M91 D92 R133 R134 I135 I139 W140 L141	L90-E137 VanDerWaalsContact CA-OE1 3.27Å; L90-E137 WeakPolarHBondContact CA-OE1 3.3Å; M91-E137 PolarHBondContact N-OE1 2.89Å; D92-E137 HydrophobicContact CB-CG 3.99Å; D92-E137 VanDerWaalsContact OD2-CA 3.32Å; D92-E137 WeakPolarHBondContact OD2-CA 3.41Å; D92-E137 WeakPolarHBondContact OD2-CB 3.27Å; R133-E137 PolarHBondContact O-N 2.99Å; R134-E137 WeakPolarHBondContact CD-OE2 3.18Å; R134-E137 IonicContact CZ-OE2 2.98Å; R134-E137 IonicContact NE-OE2 2.79Å; R134-E137 PolarHBondContact NE-OE2 3.31Å; I135-E137 PolarHBondContact O-N 3.46Å; E137-I139 VanDerWaalsContact C-N 3.29Å; E137-I139 PolarHBondContact O-N 3.44Å; E137-W140 PolarHBondContact O-N 3.33Å; E137-L141 HydrophobicContact CG-CD1 3.74Å; E137-L141 HydrophobicContact CG-CG 4.27Å; E137-L141 WeakPolarHBondContact O-CB 3.16Å; E137-L141 VanDerWaalsContact O-CG 3.31Å; E137-L141 WeakPolarHBondContact O-CG 3.43Å; E137-L141 PolarHBondContact O-N 2.99Å
138	A	98.4	Very high	98	Very high	5 Å²	5	29.5 Å²	29.5	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-35.2	-179	0	0	0	0	0	112.7	L73 L74 R134 I135 Q136 N142	L73-A138 HydrophobicContact CB-CB 3.84Å; L73-A138 HydrophobicContact CD1-CB 4.23Å; L74-A138 HydrophobicContact CD2-CB 3.7Å; L74-A138 HydrophobicContact CG-CB 4.07Å; R134-A138 WeakPolarHBondContact O-CB 3.46Å; R134-A138 PolarHBondContact O-N 3.05Å; I135-A138 PolarHBondContact O-N 3.23Å; Q136-A138 VanDerWaalsContact C-N 3.34Å; Q136-A138 PolarHBondContact O-N 3.02Å; A138-N142 PolarHBondContact O-ND2 2.96Å
139	I	98.3	Very high	98	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-74.1	-46.5	174.2	-61.6	-56.7	0	0	0	110.6	I48 A70 I135 Q136 E137 L141 N142 I145 N146 F148 V150	I48-I139 HydrophobicContact CD1-CD1 3.71Å; I48-I139 HydrophobicContact CG1-CD1 4.35Å; A70-I139 HydrophobicContact CB-CD1 4.24Å; I135-I139 PolarHBondContact O-N 3.33Å; I135-I139 VanDerWaalsContact O-N 3.09Å; Q136-I139 PolarHBondContact O-N 3.26Å; E137-I139 VanDerWaalsContact C-N 3.29Å; E137-I139 PolarHBondContact O-N 3.44Å; I139-L141 VanDerWaalsContact C-N 3.32Å; I139-L141 PolarHBondContact O-N 3.26Å; I139-N142 PolarHBondContact O-N 3.41Å; I139-I145 WeakPolarHBondContact CG2-O 3.37Å; I139-N146 WeakPolarHBondContact O-CA 3.21Å; I139-F148 HydrophobicContact CG2-CB 4.31Å; I139-V150 HydrophobicContact CD1-CG1 3.78Å; I139-V150 HydrophobicContact CG1-CG1 4.02Å
140	W	98	Very high	97.9	Very high	89 Å²	89	30.2 Å²	30.2	34%	0.337	16%	0.158	S	C	.	.	H	α-helix	trans	-59.3	-40.7	-176.4	-177.9	-94.6	0	0	0	113.4	D92 L94 Q136 E137 N142 N146	D92-W140 HydrophobicContact CB-CG 4.49Å; L94-W140 HydrophobicContact CD1-CB 4.39Å; L94-W140 HydrophobicContact CD1-CD2 4.19Å; L94-W140 HydrophobicContact CD1-CG 4.04Å; L94-W140 HydrophobicContact CD2-CD2 3.66Å; L94-W140 HydrophobicContact CD2-CE3 4.07Å; L94-W140 HydrophobicContact CD2-CG 4.23Å; L94-W140 HydrophobicContact CD2-CH2 3.91Å; L94-W140 HydrophobicContact CD2-CZ2 3.49Å; L94-W140 VanDerWaalsContact CD2-CZ2 3.49Å; L94-W140 HydrophobicContact CD2-CZ3 4.19Å; L94-W140 HydrophobicContact CG-CD2 4.11Å; L94-W140 HydrophobicContact CG-CG 4.15Å; Q136-W140 VanDerWaalsContact O-CB 3.32Å; Q136-W140 WeakPolarHBondContact O-CB 3.49Å; Q136-W140 PolarHBondContact O-N 2.71Å; E137-W140 PolarHBondContact O-N 3.33Å; W140-N142 PolarHBondContact O-N 3.49Å; W140-N142 VanDerWaalsContact O-N 3.08Å; W140-N146 HydrophobicContact CE3-CB 4.28Å; W140-N146 WeakPolarHBondContact O-CB 3.48Å
141	L	97.9	Very high	97.9	Very high	81 Å²	81	30.8 Å²	30.8	42%	0.424	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-4.9	178.8	-71.9	174.3	0	0	0	114.3	L73 D92 E137 I139 P143	L73-L141 HydrophobicContact CD1-CB 4.45Å; L73-L141 HydrophobicContact CD1-CD1 4.38Å; D92-L141 HydrophobicContact CB-CD2 4.02Å; D92-L141 HydrophobicContact CB-CG 4.16Å; E137-L141 HydrophobicContact CG-CD1 3.74Å; E137-L141 HydrophobicContact CG-CG 4.27Å; E137-L141 WeakPolarHBondContact O-CB 3.16Å; E137-L141 VanDerWaalsContact O-CG 3.31Å; E137-L141 WeakPolarHBondContact O-CG 3.43Å; E137-L141 PolarHBondContact O-N 2.99Å; I139-L141 VanDerWaalsContact C-N 3.32Å; I139-L141 PolarHBondContact O-N 3.26Å; L141-P143 VanDerWaalsContact C-CD 3.46Å; L141-P143 WeakPolarHBondContact O-CD 3.32Å
142	N	97.8	Very high	97.8	Very high	14 Å²	14	33.9 Å²	33.9	8%	0.075	18%	0.177	C	C	.	.	S	Bend	trans	-124	68.6	-174.3	-68.6	-66.8	0	0	0	112.1	A66 Q69 A70 L73 A138 I139 W140 I145	A66-N142 HydrophobicContact CB-CB 4.18Å; Q69-N142 WeakPolarHBondContact CB-OD1 3.44Å; Q69-N142 WeakPolarHBondContact CG-OD1 3.29Å; A70-N142 HydrophobicContact CB-CB 4.4Å; L73-N142 WeakPolarHBondContact CD1-ND2 3.32Å; A138-N142 PolarHBondContact O-ND2 2.96Å; I139-N142 PolarHBondContact O-N 3.41Å; W140-N142 PolarHBondContact O-N 3.49Å; W140-N142 VanDerWaalsContact O-N 3.08Å; N142-I145 HydrophobicContact CB-CG1 4.41Å; N142-I145 WeakPolarHBondContact O-CG1 3.35Å; N142-I145 PolarHBondContact O-N 3.26Å; N142-I145 VanDerWaalsContact O-N 3.13Å
143	P	97.3	Very high	97.6	Very high	89 Å²	89	37.9 Å²	37.9	58%	0.578	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	147	166.7	29.4	-34.6	0	0	0	110.2	A66 L141	A66-P143 WeakPolarHBondContact CB-O 3.49Å; L141-P143 VanDerWaalsContact C-CD 3.46Å; L141-P143 WeakPolarHBondContact O-CD 3.32Å
144	P	97.4	Very high	97.3	Very high	41 Å²	41	39.4 Å²	39.4	27%	0.266	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90	7.3	10.4	33.2	-32.9	0	0	0	115.4	H59 N146	H59-P144 HydrophobicContact CB-CB 4.45Å; H59-P144 HydrophobicContact CB-CG 3.52Å; P144-N146 VanDerWaalsContact C-N 3.31Å; P144-N146 PolarHBondContact O-N 2.91Å
145	I	97.3	Very high	97.1	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.209	C	C	.	.	S	Bend	trans	-91.5	14.7	-177.8	67.9	167.1	0	0	0	113.5	F55 A66 A70 I139 N142 N147 F148	F55-I145 HydrophobicContact CB-CG2 4.43Å; F55-I145 HydrophobicContact CD1-CB 4.48Å; F55-I145 HydrophobicContact CD1-CG2 3.5Å; F55-I145 VanDerWaalsContact CD1-CG2 3.5Å; F55-I145 HydrophobicContact CD2-CG2 4.4Å; F55-I145 HydrophobicContact CE1-CB 4.22Å; F55-I145 HydrophobicContact CE1-CG2 3.72Å; F55-I145 HydrophobicContact CE2-CD1 4.46Å; F55-I145 HydrophobicContact CG-CG2 3.88Å; F55-I145 HydrophobicContact CZ-CD1 4.49Å; F55-I145 HydrophobicContact CZ-CG2 4.27Å; A66-I145 HydrophobicContact CB-CD1 4.26Å; A66-I145 HydrophobicContact CB-CG1 3.93Å; A70-I145 HydrophobicContact CB-CD1 4.18Å; I139-I145 WeakPolarHBondContact CG2-O 3.37Å; N142-I145 HydrophobicContact CB-CG1 4.41Å; N142-I145 WeakPolarHBondContact O-CG1 3.35Å; N142-I145 PolarHBondContact O-N 3.26Å; N142-I145 VanDerWaalsContact O-N 3.13Å; I145-N147 PolarHBondContact O-N 3.37Å; I145-F148 HydrophobicContact CB-CB 4.41Å; I145-F148 WeakPolarHBondContact O-CB 3.43Å; I145-F148 PolarHBondContact O-N 2.88Å
146	N	96.3	Very high	97	Very high	36 Å²	36	39.6 Å²	39.6	19%	0.193	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-8	-172.1	60.9	-59.1	0	0	0	115.3	I139 W140 P144	I139-N146 WeakPolarHBondContact O-CA 3.21Å; W140-N146 HydrophobicContact CE3-CB 4.28Å; W140-N146 WeakPolarHBondContact O-CB 3.48Å; P144-N146 VanDerWaalsContact C-N 3.31Å; P144-N146 PolarHBondContact O-N 2.91Å
147	N	94.3	Very high	96.7	Very high	139 Å²	139	43 Å²	43	74%	0.743	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.9	8.8	173.9	-64.1	-33.3	0	0	0	113.1	I145 D149	I145-N147 PolarHBondContact O-N 3.37Å; N147-D149 PolarHBondContact O-N 3.34Å
148	F	97.9	Very high	96.2	Very high	34 Å²	34	42.8 Å²	42.8	15%	0.149	23%	0.231	C	C	.	.			trans	-74.1	121.9	-176.9	-176.2	-106.3	0	0	0	111.7	T47 I48 N51 F55 I139 I145 V150	T47-F148 HydrophobicContact CG2-CE1 4.27Å; T47-F148 HydrophobicContact CG2-CZ 4.17Å; I48-F148 HydrophobicContact CG1-CD1 4.43Å; I48-F148 HydrophobicContact CG1-CE1 4.16Å; N51-F148 HydrophobicContact CB-CE2 4.43Å; N51-F148 HydrophobicContact CB-CZ 4.16Å; F55-F148 AromaticContact CE1-CD2 3.66Å; F55-F148 HydrophobicContact CE1-CD2 3.66Å; F55-F148 AromaticContact CE1-CE2 3.95Å; F55-F148 HydrophobicContact CE1-CE2 3.95Å; F55-F148 HydrophobicContact CE1-CG 4.05Å; F55-F148 HydrophobicContact CZ-CD1 4Å; F55-F148 AromaticContact CZ-CD2 3.72Å; F55-F148 HydrophobicContact CZ-CD2 3.72Å; F55-F148 HydrophobicContact CZ-CE1 4.05Å; F55-F148 AromaticContact CZ-CE2 3.78Å; F55-F148 HydrophobicContact CZ-CE2 3.78Å; F55-F148 AromaticContact CZ-CG 3.83Å; F55-F148 HydrophobicContact CZ-CG 3.83Å; F55-F148 AromaticContact CZ-CZ 3.95Å; F55-F148 HydrophobicContact CZ-CZ 3.95Å; I139-F148 HydrophobicContact CG2-CB 4.31Å; I145-F148 HydrophobicContact CB-CB 4.41Å; I145-F148 WeakPolarHBondContact O-CB 3.43Å; I145-F148 PolarHBondContact O-N 2.88Å; F148-V150 HydrophobicContact CD1-CG1 3.76Å; F148-V150 HydrophobicContact CE1-CB 4.36Å; F148-V150 HydrophobicContact CE1-CG1 3.91Å; F148-V150 PolarHBondContact O-N 3.03Å
149	D	98.3	Very high	95.9	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.134	23%	0.229	C	C	.	.			trans	-87	104.8	171.4	-177.4	-17.9	0	0	0	110.4	N147 F151 N152 K155 P299	N147-D149 PolarHBondContact O-N 3.34Å; D149-F151 PolarHBondContact O-N 3.43Å; D149-F151 VanDerWaalsContact O-N 3.11Å; D149-F151 WeakPolarHBondContact OD1-CA 3.43Å; D149-F151 PolarHBondContact OD1-N 3.46Å; D149-N152 HydrophobicContact CB-CB 3.82Å; D149-N152 PolarHBondContact O-N 2.63Å; D149-N152 PolarHBondContact OD1-N 2.63Å; D149-N152 VanDerWaalsContact OD1-N 3.08Å; D149-K155 IonicContact OD1-NZ 2.79Å; D149-K155 WeakPolarHBondContact OD2-CE 3.47Å; D149-K155 IonicContact OD2-NZ 2.98Å; D149-K155 PolarHBondContact OD2-NZ 3.26Å; D149-P299 HydrophobicContact CB-CG 3.8Å; D149-P299 VanDerWaalsContact CG-CG 3.41Å; D149-P299 WeakPolarHBondContact OD1-CB 3.48Å
150	V	97.8	Very high	95.6	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.03	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.5	-179.7	-60.6	0	0	0	0	114.1	A44 T47 I48 I135 I139 F148	A44-V150 HydrophobicContact CB-CB 4.43Å; A44-V150 HydrophobicContact CB-CG2 4.32Å; T47-V150 WeakPolarHBondContact CG2-O 3.36Å; I48-V150 HydrophobicContact CD1-CG1 3.91Å; I48-V150 HydrophobicContact CG1-CG1 3.82Å; I135-V150 HydrophobicContact CG2-CG2 3.97Å; I139-V150 HydrophobicContact CD1-CG1 3.78Å; I139-V150 HydrophobicContact CG1-CG1 4.02Å; F148-V150 HydrophobicContact CD1-CG1 3.76Å; F148-V150 HydrophobicContact CE1-CB 4.36Å; F148-V150 HydrophobicContact CE1-CG1 3.91Å; F148-V150 PolarHBondContact O-N 3.03Å
151	F	98	Very high	95.2	Very high	15 Å²	15	45.3 Å²	45.3	7%	0.066	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-6.4	-178.7	-49.5	-59.6	0	0	0	113.8	I40 A44 Y132 I135 D149 E153 G154 K155 P299 V302	I40-F151 HydrophobicContact CG2-CE1 4.31Å; A44-F151 HydrophobicContact CB-CE1 4.47Å; Y132-F151 AromaticContact CD1-CE2 3.99Å; Y132-F151 HydrophobicContact CD1-CE2 3.99Å; Y132-F151 AromaticContact CD1-CZ 3.96Å; Y132-F151 HydrophobicContact CD1-CZ 3.96Å; Y132-F151 HydrophobicContact CE1-CE2 4.1Å; Y132-F151 AromaticContact CE1-CZ 3.79Å; Y132-F151 HydrophobicContact CE1-CZ 3.79Å; I135-F151 HydrophobicContact CD1-CZ 4.15Å; D149-F151 PolarHBondContact O-N 3.43Å; D149-F151 VanDerWaalsContact O-N 3.11Å; D149-F151 WeakPolarHBondContact OD1-CA 3.43Å; D149-F151 PolarHBondContact OD1-N 3.46Å; F151-E153 VanDerWaalsContact C-N 3.29Å; F151-E153 PolarHBondContact O-N 3.11Å; F151-G154 PolarHBondContact O-N 3.07Å; F151-G154 VanDerWaalsContact O-N 3.12Å; F151-K155 PolarHBondContact O-N 2.87Å; F151-K155 VanDerWaalsContact O-N 3.14Å; F151-P299 HydrophobicContact CD2-CB 3.74Å; F151-P299 HydrophobicContact CE2-CB 4.18Å; F151-V302 HydrophobicContact CB-CG1 4.46Å; F151-V302 WeakPolarHBondContact CB-O 3.19Å; F151-V302 HydrophobicContact CD1-CB 4.27Å; F151-V302 HydrophobicContact CD1-CG1 4Å; F151-V302 HydrophobicContact CD1-CG2 4.28Å; F151-V302 HydrophobicContact CE1-CG2 4.08Å; F151-V302 HydrophobicContact CG-CB 4.5Å; F151-V302 HydrophobicContact CG-CG1 4.36Å; F151-V302 WeakPolarHBondContact CG-O 3.35Å
152	N	97.3	Very high	94.9	Very high	66 Å²	66	41.5 Å²	41.5	35%	0.353	22%	0.224	S	C	.	.	H	α-helix	trans	-57.3	-37.7	-176.8	176.1	74	0	0	0	113.7	D149 G154 K155 T156	D149-N152 HydrophobicContact CB-CB 3.82Å; D149-N152 PolarHBondContact O-N 2.63Å; D149-N152 PolarHBondContact OD1-N 2.63Å; D149-N152 VanDerWaalsContact OD1-N 3.08Å; N152-G154 PolarHBondContact O-N 3.05Å; N152-K155 PolarHBondContact O-N 3.49Å; N152-T156 WeakPolarHBondContact O-CB 3.32Å; N152-T156 WeakPolarHBondContact O-CG2 2.79Å; N152-T156 PolarHBondContact O-N 3.11Å; N152-T156 PolarHBondContact O-OG1 3.4Å
153	E	95.2	Very high	94.5	Very high	86 Å²	86	43.2 Å²	43.2	40%	0.402	23%	0.231	S	C	.	.	H	α-helix	trans	-58.3	-46.9	176.6	-173.7	-178.3	173.1	0	0	111.5	R50 F151 T156 Q157	R50-E153 IonicContact CZ-OE1 3.37Å; R50-E153 IonicContact CZ-OE2 2.97Å; R50-E153 VanDerWaalsContact CZ-OE2 3.28Å; R50-E153 VanDerWaalsContact NH1-CD 3.26Å; R50-E153 IonicContact NH1-OE1 2.75Å; R50-E153 PolarHBondContact NH1-OE1 2.93Å; R50-E153 IonicContact NH1-OE2 3.68Å; R50-E153 PolarHBondContact NH1-OE2 3.39Å; R50-E153 IonicContact NH2-OE1 2.72Å; R50-E153 IonicContact NH2-OE2 3.73Å; R50-E153 PolarHBondContact NH2-OE2 3.09Å; F151-E153 VanDerWaalsContact C-N 3.29Å; F151-E153 PolarHBondContact O-N 3.11Å; E153-T156 PolarHBondContact O-OG1 2.96Å; E153-T156 VanDerWaalsContact O-OG1 3.12Å; E153-Q157 WeakPolarHBondContact O-CB 3.5Å; E153-Q157 PolarHBondContact O-N 3.38Å
154	G	91.5	Very high	94.2	Very high	32 Å²	32	45.3 Å²	45.3	33%	0.33	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-41.1	177.6	0	0	0	0	0	112.9	F151 N152 S158	F151-G154 PolarHBondContact O-N 3.07Å; F151-G154 VanDerWaalsContact O-N 3.12Å; N152-G154 PolarHBondContact O-N 3.05Å; G154-S158 WeakPolarHBondContact O-CB 3.43Å; G154-S158 PolarHBondContact O-N 3.28Å
155	K	95.3	Very high	93.9	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-46.4	178.8	-70	-175.7	-69.8	179.8	0	112.2	D149 F151 N152 S158 F159 A268 D309	D149-K155 IonicContact OD1-NZ 2.79Å; D149-K155 WeakPolarHBondContact OD2-CE 3.47Å; D149-K155 IonicContact OD2-NZ 2.98Å; D149-K155 PolarHBondContact OD2-NZ 3.26Å; F151-K155 PolarHBondContact O-N 2.87Å; F151-K155 VanDerWaalsContact O-N 3.14Å; N152-K155 PolarHBondContact O-N 3.49Å; K155-S158 PolarHBondContact O-N 2.96Å; K155-F159 PolarHBondContact O-N 3.33Å; K155-A268 HydrophobicContact CB-CB 4.16Å; K155-A268 HydrophobicContact CD-CB 3.88Å; K155-A268 HydrophobicContact CG-CB 4.08Å; K155-D309 WeakPolarHBondContact CD-OD1 3.28Å; K155-D309 WeakPolarHBondContact CE-OD1 3.31Å; K155-D309 IonicContact NZ-OD1 2.77Å; K155-D309 PolarHBondContact NZ-OD1 3.47Å; K155-D309 IonicContact NZ-OD2 3.09Å; K155-D309 PolarHBondContact NZ-OD2 3.27Å
156	T	95.2	Very high	93.8	Very high	22 Å²	22	43.2 Å²	43.2	14%	0.135	22%	0.22	C	C	.	.	H	α-helix	trans	-70.4	-40.1	179.8	54.5	0	0	0	0	112.1	N152 E153 S158 F159 F160 W312	N152-T156 WeakPolarHBondContact O-CB 3.32Å; N152-T156 WeakPolarHBondContact O-CG2 2.79Å; N152-T156 PolarHBondContact O-N 3.11Å; N152-T156 PolarHBondContact O-OG1 3.4Å; E153-T156 PolarHBondContact O-OG1 2.96Å; E153-T156 VanDerWaalsContact O-OG1 3.12Å; T156-S158 PolarHBondContact O-N 2.85Å; T156-F159 WeakPolarHBondContact O-CB 3.29Å; T156-F159 PolarHBondContact O-N 3.08Å; T156-F160 WeakPolarHBondContact O-CD2 3.42Å; T156-F160 PolarHBondContact O-N 2.81Å; T156-F160 VanDerWaalsContact O-N 3.15Å; T156-W312 HydrophobicContact CG2-CD2 4.06Å; T156-W312 HydrophobicContact CG2-CE3 4.2Å; T156-W312 HydrophobicContact CG2-CH2 3.66Å; T156-W312 HydrophobicContact CG2-CZ2 3.46Å; T156-W312 VanDerWaalsContact CG2-CZ2 3.46Å; T156-W312 HydrophobicContact CG2-CZ3 4.02Å
157	Q	92.1	Very high	93.7	Very high	97 Å²	97	44.7 Å²	44.7	45%	0.453	23%	0.227	S	C	.	.	H	α-helix	trans	-59.1	-45.7	173.8	-176.3	63.9	21.1	0	0	111.6	E153 F159 F160 E161	E153-Q157 WeakPolarHBondContact O-CB 3.5Å; E153-Q157 PolarHBondContact O-N 3.38Å; Q157-F159 VanDerWaalsContact C-N 3.28Å; Q157-F159 PolarHBondContact O-N 3.24Å; Q157-F160 PolarHBondContact O-N 2.78Å; Q157-F160 VanDerWaalsContact O-N 3.07Å; Q157-E161 HydrophobicContact CG-CG 4.39Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.14Å; Q157-E161 PolarHBondContact NE2-OE1 3Å; Q157-E161 WeakPolarHBondContact O-CG 3.46Å; Q157-E161 PolarHBondContact O-N 3.14Å
158	S	88.4	Confident	93.7	Very high	11 Å²	11	39.7 Å²	39.7	8%	0.077	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-38.4	176.9	176.3	0	0	0	0	113	G154 K155 T156 S162	G154-S158 WeakPolarHBondContact O-CB 3.43Å; G154-S158 PolarHBondContact O-N 3.28Å; K155-S158 PolarHBondContact O-N 2.96Å; T156-S158 PolarHBondContact O-N 2.85Å; S158-S162 WeakPolarHBondContact O-CB 3.31Å; S158-S162 PolarHBondContact O-N 3.46Å; S158-S162 PolarHBondContact O-OG 2.89Å
159	F	92.6	Very high	93.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-44.4	173.6	177.5	-95.6	0	0	0	112.6	K155 T156 Q157 S162 Q163 V273 W312 T313 Q316	K155-F159 PolarHBondContact O-N 3.33Å; T156-F159 WeakPolarHBondContact O-CB 3.29Å; T156-F159 PolarHBondContact O-N 3.08Å; Q157-F159 VanDerWaalsContact C-N 3.28Å; Q157-F159 PolarHBondContact O-N 3.24Å; F159-S162 PolarHBondContact O-N 2.9Å; F159-Q163 PolarHBondContact O-NE2 3.26Å; F159-Q163 VanDerWaalsContact O-NE2 3.11Å; F159-V273 HydrophobicContact CD2-CG2 4.1Å; F159-V273 HydrophobicContact CE2-CG2 3.82Å; F159-W312 HydrophobicContact CB-CH2 4.04Å; F159-W312 HydrophobicContact CB-CZ3 3.76Å; F159-W312 AromaticContact CD1-CH2 3.65Å; F159-W312 HydrophobicContact CD1-CH2 3.65Å; F159-W312 AromaticContact CD1-CZ3 3.72Å; F159-W312 HydrophobicContact CD1-CZ3 3.72Å; F159-W312 HydrophobicContact CD2-CZ3 4.38Å; F159-W312 HydrophobicContact CE1-CH2 4.4Å; F159-W312 HydrophobicContact CE1-CZ3 4.41Å; F159-W312 HydrophobicContact CG-CH2 4.04Å; F159-W312 AromaticContact CG-CZ3 3.69Å; F159-W312 HydrophobicContact CG-CZ3 3.69Å; F159-T313 HydrophobicContact CD2-CG2 4.3Å; F159-T313 HydrophobicContact CE2-CG2 4.03Å; F159-Q316 HydrophobicContact CD1-CB 4.42Å; F159-Q316 HydrophobicContact CE1-CB 3.55Å; F159-Q316 HydrophobicContact CE1-CG 4.23Å; F159-Q316 HydrophobicContact CZ-CB 3.78Å
160	F	92.6	Very high	93.6	Very high	98 Å²	98	36.9 Å²	36.9	43%	0.43	19%	0.191	S	C	.	.	H	α-helix	trans	-71.3	-32	-179.2	-70.7	-57.7	0	0	0	113.1	T156 Q157 S162 Q163 W312	T156-F160 WeakPolarHBondContact O-CD2 3.42Å; T156-F160 PolarHBondContact O-N 2.81Å; T156-F160 VanDerWaalsContact O-N 3.15Å; Q157-F160 PolarHBondContact O-N 2.78Å; Q157-F160 VanDerWaalsContact O-N 3.07Å; F160-S162 VanDerWaalsContact C-N 3.27Å; F160-S162 PolarHBondContact O-N 2.77Å; F160-Q163 WeakPolarHBondContact O-CG 3.4Å; F160-W312 HydrophobicContact CD2-CH2 4.42Å; F160-W312 AromaticContact CE2-CH2 3.79Å; F160-W312 HydrophobicContact CE2-CH2 3.79Å; F160-W312 AromaticContact CE2-CZ2 3.75Å; F160-W312 HydrophobicContact CE2-CZ2 3.75Å; F160-W312 AromaticContact CZ-CH2 3.9Å; F160-W312 HydrophobicContact CZ-CH2 3.9Å; F160-W312 AromaticContact CZ-CZ2 3.76Å; F160-W312 HydrophobicContact CZ-CZ2 3.76Å
161	E	89.8	Confident	93.6	Very high	49 Å²	49	38.5 Å²	38.5	23%	0.229	20%	0.201	C	C	.	.	H	α-helix	trans	-72	-24.5	175.1	-70.4	179.3	-174.2	0	0	112.9	Q157 S216	Q157-E161 HydrophobicContact CG-CG 4.39Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.14Å; Q157-E161 PolarHBondContact NE2-OE1 3Å; Q157-E161 WeakPolarHBondContact O-CG 3.46Å; Q157-E161 PolarHBondContact O-N 3.14Å; E161-S216 PolarHBondContact OE2-OG 3.01Å
162	S	90.3	Very high	93.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	10.5	-177.8	-54.7	0	0	0	0	113.6	S158 F159 F160 Q164 A165 V166	S158-S162 WeakPolarHBondContact O-CB 3.31Å; S158-S162 PolarHBondContact O-N 3.46Å; S158-S162 PolarHBondContact O-OG 2.89Å; F159-S162 PolarHBondContact O-N 2.9Å; F160-S162 VanDerWaalsContact C-N 3.27Å; F160-S162 PolarHBondContact O-N 2.77Å; S162-Q164 VanDerWaalsContact C-N 3.29Å; S162-Q164 PolarHBondContact O-N 2.85Å; S162-A165 PolarHBondContact O-N 2.86Å; S162-V166 WeakPolarHBondContact O-CG2 3.41Å; S162-V166 PolarHBondContact O-N 3.34Å
163	Q	90.5	Very high	93.6	Very high	50 Å²	50	36.6 Å²	36.6	23%	0.234	19%	0.189	C	C	.	.	H	α-helix	trans	-54	-41.3	-173.9	-73.4	-68.2	-68.2	0	0	113.4	F159 F160 A165 V166 M167	F159-Q163 PolarHBondContact O-NE2 3.26Å; F159-Q163 VanDerWaalsContact O-NE2 3.11Å; F160-Q163 WeakPolarHBondContact O-CG 3.4Å; Q163-A165 PolarHBondContact O-N 2.77Å; Q163-V166 PolarHBondContact O-N 2.92Å; Q163-M167 WeakPolarHBondContact O-CB 3.35Å; Q163-M167 WeakPolarHBondContact O-CG 3.33Å; Q163-M167 PolarHBondContact O-N 2.97Å
164	Q	90.6	Very high	93.7	Very high	134 Å²	134	32.6 Å²	32.6	63%	0.626	17%	0.17	S	C	*	.	H	α-helix	trans	-63.2	-41.7	179.3	-68.9	-177.5	-12.9	0	0	112.1	S162 M167 A168 K218	S162-Q164 VanDerWaalsContact C-N 3.29Å; S162-Q164 PolarHBondContact O-N 2.85Å; Q164-M167 PolarHBondContact O-N 2.96Å; Q164-A168 WeakPolarHBondContact O-CB 3.27Å; Q164-A168 PolarHBondContact O-N 3.32Å; Q164-K218 PolarHBondContact OE1-O 2.84Å
165	A	91.3	Very high	93.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.8	-40	176.1	0	0	0	0	0	111.7	S162 Q163 A168 L169 Q217 P221 F270	S162-A165 PolarHBondContact O-N 2.86Å; Q163-A165 PolarHBondContact O-N 2.77Å; A165-A168 PolarHBondContact O-N 2.82Å; A165-L169 WeakPolarHBondContact O-CB 3.42Å; A165-L169 PolarHBondContact O-N 3.16Å; A165-Q217 HydrophobicContact CB-CB 4.19Å; A165-Q217 HydrophobicContact CB-CG 4Å; A165-Q217 WeakPolarHBondContact CB-O 3.39Å; A165-P221 HydrophobicContact CB-CG 3.95Å; A165-F270 HydrophobicContact CB-CD2 4.11Å; A165-F270 HydrophobicContact CB-CE2 3.55Å; A165-F270 HydrophobicContact CB-CZ 3.96Å
166	V	94.8	Very high	93.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-46.5	174.3	175.3	0	0	0	0	111.1	S162 Q163 A168 L169 C170 F270 V273 M325	S162-V166 WeakPolarHBondContact O-CG2 3.41Å; S162-V166 PolarHBondContact O-N 3.34Å; Q163-V166 PolarHBondContact O-N 2.92Å; V166-A168 PolarHBondContact O-N 2.98Å; V166-L169 PolarHBondContact O-N 2.95Å; V166-C170 PolarHBondContact O-N 3.09Å; V166-C170 PolarHBondContact O-SG 3.45Å; V166-F270 HydrophobicContact CG2-CD2 3.82Å; V166-F270 HydrophobicContact CG2-CE2 4.25Å; V166-V273 HydrophobicContact CB-CG1 4.4Å; V166-V273 HydrophobicContact CG1-CG1 3.89Å; V166-V273 HydrophobicContact CG2-CB 4.31Å; V166-V273 HydrophobicContact CG2-CG1 4.02Å; V166-V273 HydrophobicContact CG2-CG2 4.12Å; V166-M325 HydrophobicContact CB-CE 4.3Å; V166-M325 HydrophobicContact CB-SD 4.46Å; V166-M325 HydrophobicContact CG1-CE 3.52Å; V166-M325 HydrophobicContact CG1-CG 4Å; V166-M325 HydrophobicContact CG1-SD 3.89Å
167	M	94.8	Very high	93.9	Very high	68 Å²	68	35.7 Å²	35.7	34%	0.335	18%	0.178	S	C	.	.	H	α-helix	trans	-57.5	-47.4	176.2	-72	169.5	73.9	0	0	111.7	Q163 Q164 L169 T171 H322 M325	Q163-M167 WeakPolarHBondContact O-CB 3.35Å; Q163-M167 WeakPolarHBondContact O-CG 3.33Å; Q163-M167 PolarHBondContact O-N 2.97Å; Q164-M167 PolarHBondContact O-N 2.96Å; M167-L169 VanDerWaalsContact C-N 3.35Å; M167-T171 VanDerWaalsContact O-CB 3.31Å; M167-T171 WeakPolarHBondContact O-CB 3.42Å; M167-T171 PolarHBondContact O-N 3.18Å; M167-T171 PolarHBondContact O-OG1 3.28Å; M167-H322 HydrophobicContact CE-CB 4.29Å; M167-H322 WeakPolarHBondContact CE-CD2 3.43Å; M167-H322 HydrophobicContact CG-CB 4.37Å; M167-M325 HydrophobicContact CB-SD 4.08Å; M167-M325 HydrophobicContact CG-CG 4.32Å; M167-M325 HydrophobicContact CG-SD 3.22Å; M167-M325 WeakPolarHBondContact CG-SD 2.98Å
168	A	94.4	Very high	94	Very high	33 Å²	33	37.5 Å²	37.5	27%	0.273	18%	0.184	S	C	.	.	H	α-helix	trans	-62	-43.3	178.8	0	0	0	0	0	111.5	Q164 A165 V166 T171 Y172	Q164-A168 WeakPolarHBondContact O-CB 3.27Å; Q164-A168 PolarHBondContact O-N 3.32Å; A165-A168 PolarHBondContact O-N 2.82Å; V166-A168 PolarHBondContact O-N 2.98Å; A168-T171 PolarHBondContact O-N 3.44Å; A168-Y172 WeakPolarHBondContact O-CB 3.31Å; A168-Y172 PolarHBondContact O-N 3.46Å
169	L	95.9	Very high	94.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-44.5	-178.2	-173	60.5	0	0	0	112.6	A165 V166 M167 T171 Y172 L173 L195 V198 I222 T274 V277	A165-L169 WeakPolarHBondContact O-CB 3.42Å; A165-L169 PolarHBondContact O-N 3.16Å; V166-L169 PolarHBondContact O-N 2.95Å; M167-L169 VanDerWaalsContact C-N 3.35Å; L169-T171 VanDerWaalsContact C-N 3.3Å; L169-T171 PolarHBondContact O-N 3.37Å; L169-Y172 PolarHBondContact O-N 3.11Å; L169-L173 PolarHBondContact O-N 3.44Å; L169-L195 HydrophobicContact CD1-CD2 3.87Å; L169-V198 HydrophobicContact CD1-CG1 4.02Å; L169-V198 HydrophobicContact CD2-CG1 3.92Å; L169-I222 HydrophobicContact CD1-CD1 4.31Å; L169-I222 HydrophobicContact CD1-CG1 4.4Å; L169-T274 HydrophobicContact CD2-CG2 3.96Å; L169-V277 HydrophobicContact CD1-CG1 4Å; L169-V277 HydrophobicContact CD2-CB 4Å; L169-V277 HydrophobicContact CD2-CG1 4.14Å; L169-V277 HydrophobicContact CD2-CG2 3.88Å; L169-V277 HydrophobicContact CG-CB 4.16Å; L169-V277 HydrophobicContact CG-CG1 3.83Å; L169-V277 HydrophobicContact CG-CG2 3.92Å
170	C	98	Very high	94.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-36.7	173.5	-70.1	0	0	0	0	111.9	V166 G174 W324 M325	V166-C170 PolarHBondContact O-N 3.09Å; V166-C170 PolarHBondContact O-SG 3.45Å; C170-G174 PolarHBondContact O-N 2.73Å; C170-W324 HydrophobicContact CB-CB 4.08Å; C170-M325 HydrophobicContact CB-CG 4.02Å
171	T	97.2	Very high	93.9	Very high	39 Å²	39	45 Å²	45	24%	0.239	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-48	175.3	-59.2	0	0	0	0	111.1	M167 A168 L169 L173 G174 D175 H322 W324	M167-T171 VanDerWaalsContact O-CB 3.31Å; M167-T171 WeakPolarHBondContact O-CB 3.42Å; M167-T171 PolarHBondContact O-N 3.18Å; M167-T171 PolarHBondContact O-OG1 3.28Å; A168-T171 PolarHBondContact O-N 3.44Å; L169-T171 VanDerWaalsContact C-N 3.3Å; L169-T171 PolarHBondContact O-N 3.37Å; T171-L173 PolarHBondContact O-N 3.38Å; T171-G174 PolarHBondContact O-N 2.97Å; T171-D175 PolarHBondContact O-N 3.09Å; T171-H322 PolarHBondContact OG1-CE1 3.12Å; T171-W324 VanDerWaalsContact OG1-CD1 3.31Å
172	Y	96.9	Very high	94.1	Very high	41 Å²	41	51.3 Å²	51.3	16%	0.161	25%	0.251	C	S	.	.	H	α-helix	trans	-56.6	-49.7	176.6	174.1	-92.8	0	0	0	111.4	A168 L169 G174 D175 V176 H191 K194 L195 I222	A168-Y172 WeakPolarHBondContact O-CB 3.31Å; A168-Y172 PolarHBondContact O-N 3.46Å; L169-Y172 PolarHBondContact O-N 3.11Å; Y172-G174 VanDerWaalsContact C-N 3.33Å; Y172-G174 PolarHBondContact O-N 2.74Å; Y172-D175 PolarHBondContact O-N 3.23Å; Y172-V176 HydrophobicContact CD1-CG2 4.32Å; Y172-V176 HydrophobicContact CE1-CG2 3.97Å; Y172-V176 HydrophobicContact CE2-CG2 4.38Å; Y172-V176 WeakPolarHBondContact O-CG2 3.3Å; Y172-V176 PolarHBondContact O-N 2.81Å; Y172-H191 AromaticContact CZ-ND1 3.58Å; Y172-H191 PolarHBondContact OH-ND1 3.36Å; Y172-K194 WeakPolarHBondContact OH-CD 3.48Å; Y172-L195 HydrophobicContact CD1-CD2 3.98Å; Y172-L195 HydrophobicContact CE1-CD1 4.48Å; Y172-L195 HydrophobicContact CE1-CD2 3.77Å; Y172-L195 HydrophobicContact CE1-CG 4.08Å; Y172-I222 HydrophobicContact CD1-CD1 3.92Å; Y172-I222 HydrophobicContact CD1-CG1 4.18Å; Y172-I222 HydrophobicContact CD2-CD1 4.4Å; Y172-I222 HydrophobicContact CD2-CG1 4.08Å; Y172-I222 HydrophobicContact CD2-CG2 4.24Å; Y172-I222 HydrophobicContact CE1-CD1 3.78Å; Y172-I222 HydrophobicContact CE1-CG1 4.43Å; Y172-I222 HydrophobicContact CE2-CD1 4.27Å; Y172-I222 HydrophobicContact CE2-CG1 4.34Å; Y172-I222 HydrophobicContact CE2-CG2 3.99Å; Y172-I222 HydrophobicContact CG-CD1 4.21Å; Y172-I222 HydrophobicContact CG-CG1 3.97Å
173	L	97.9	Very high	94.1	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.8	-46.5	176.4	176.6	64.6	0	0	0	111.5	L169 T171 D175 V176 Q177 V277 D280 F281	L169-L173 PolarHBondContact O-N 3.44Å; T171-L173 PolarHBondContact O-N 3.38Å; L173-D175 VanDerWaalsContact C-N 3.29Å; L173-D175 PolarHBondContact O-N 2.86Å; L173-V176 PolarHBondContact O-N 2.91Å; L173-Q177 HydrophobicContact CD1-CG 4.16Å; L173-Q177 HydrophobicContact CG-CG 4.35Å; L173-Q177 WeakPolarHBondContact O-CB 3.26Å; L173-Q177 WeakPolarHBondContact O-CG 3.33Å; L173-Q177 PolarHBondContact O-N 2.88Å; L173-V277 HydrophobicContact CB-CG1 4.19Å; L173-V277 HydrophobicContact CD2-CG1 4.11Å; L173-V277 HydrophobicContact CD2-CG2 4.49Å; L173-D280 HydrophobicContact CD2-CB 3.82Å; L173-D280 WeakPolarHBondContact CD2-OD2 3.22Å; L173-F281 HydrophobicContact CD1-CB 3.92Å
174	G	97.1	Very high	94.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-36.5	179.6	0	0	0	0	0	114	C170 T171 Y172 K178 W324	C170-G174 PolarHBondContact O-N 2.73Å; T171-G174 PolarHBondContact O-N 2.97Å; Y172-G174 VanDerWaalsContact C-N 3.33Å; Y172-G174 PolarHBondContact O-N 2.74Å; G174-K178 WeakPolarHBondContact O-CG 3.45Å; G174-K178 PolarHBondContact O-N 2.81Å; G174-W324 VanDerWaalsContact C-CH2 3.46Å; G174-W324 WeakPolarHBondContact O-CH2 3.34Å
175	D	95.6	Very high	94.2	Very high	74 Å²	74	52.9 Å²	52.9	40%	0.396	27%	0.265	S	S	.	.	H	α-helix	trans	-76.3	-35.6	176.7	-72.2	-28.8	0	0	0	112.8	T171 Y172 L173 K178 S179	T171-D175 PolarHBondContact O-N 3.09Å; Y172-D175 PolarHBondContact O-N 3.23Å; L173-D175 VanDerWaalsContact C-N 3.29Å; L173-D175 PolarHBondContact O-N 2.86Å; D175-K178 PolarHBondContact O-N 2.73Å; D175-K178 IonicContact OD1-NZ 2.95Å; D175-K178 PolarHBondContact OD1-NZ 3.46Å; D175-S179 PolarHBondContact O-OG 3.5Å
176	V	96	Very high	94.3	Very high	6 Å²	6	58.7 Å²	58.7	4%	0.036	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-48	170.6	177.2	0	0	0	0	110.1	Y172 L173 K178 S179 M180 L183 H191 F281	Y172-V176 HydrophobicContact CD1-CG2 4.32Å; Y172-V176 HydrophobicContact CE1-CG2 3.97Å; Y172-V176 HydrophobicContact CE2-CG2 4.38Å; Y172-V176 WeakPolarHBondContact O-CG2 3.3Å; Y172-V176 PolarHBondContact O-N 2.81Å; L173-V176 PolarHBondContact O-N 2.91Å; V176-K178 VanDerWaalsContact C-N 3.33Å; V176-K178 PolarHBondContact O-N 3.23Å; V176-S179 CarbonylContact O-C 3.23Å; V176-S179 PolarHBondContact O-N 3.01Å; V176-S179 PolarHBondContact O-OG 2.78Å; V176-M180 HydrophobicContact CG1-CE 3.77Å; V176-M180 PolarHBondContact O-N 2.88Å; V176-L183 HydrophobicContact CG1-CD1 4.17Å; V176-H191 HydrophobicContact CG1-CB 4.37Å; V176-H191 WeakPolarHBondContact CG2-ND1 3.37Å; V176-F281 HydrophobicContact CG1-CD2 4.31Å; V176-F281 HydrophobicContact CG1-CE2 4.05Å
177	Q	95.1	Very high	94.4	Very high	46 Å²	46	62.8 Å²	62.8	22%	0.215	32%	0.316	C	S	.	.	H	α-helix	trans	-58.3	-39.7	179.8	-75.5	176	-19.8	0	0	113.3	L173 S179 M180 D280 S284	L173-Q177 HydrophobicContact CD1-CG 4.16Å; L173-Q177 HydrophobicContact CG-CG 4.35Å; L173-Q177 WeakPolarHBondContact O-CB 3.26Å; L173-Q177 WeakPolarHBondContact O-CG 3.33Å; L173-Q177 PolarHBondContact O-N 2.88Å; Q177-S179 PolarHBondContact O-N 3Å; Q177-M180 HydrophobicContact CG-CE 4.23Å; Q177-M180 PolarHBondContact O-N 3.29Å; Q177-D280 PolarHBondContact NE2-OD1 2.79Å; Q177-S284 PolarHBondContact NE2-OG 3.49Å
178	K	94.5	Very high	94.4	Very high	135 Å²	135	60.3 Å²	60.3	59%	0.587	30%	0.304	S	S	*	.	H	α-helix	trans	-61.4	-26.3	176.9	-78.4	169.9	175	159.9	0	114.1	G174 D175 V176 W324	G174-K178 WeakPolarHBondContact O-CG 3.45Å; G174-K178 PolarHBondContact O-N 2.81Å; D175-K178 PolarHBondContact O-N 2.73Å; D175-K178 IonicContact OD1-NZ 2.95Å; D175-K178 PolarHBondContact OD1-NZ 3.46Å; V176-K178 VanDerWaalsContact C-N 3.33Å; V176-K178 PolarHBondContact O-N 3.23Å; K178-W324 HydrophobicContact CD-CH2 4.1Å; K178-W324 HydrophobicContact CD-CZ2 4.44Å; K178-W324 VanDerWaalsContact CE-CH2 3.41Å; K178-W324 HydrophobicContact CG-CH2 4.37Å; K178-W324 VanDerWaalsContact NZ-CZ2 3.25Å
179	S	92.8	Very high	94.5	Very high	46 Å²	46	59.5 Å²	59.5	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-112.7	1.7	-174.5	58.1	0	0	0	0	113.1	D175 V176 Q177 E181 K182 L183	D175-S179 PolarHBondContact O-OG 3.5Å; V176-S179 CarbonylContact O-C 3.23Å; V176-S179 PolarHBondContact O-N 3.01Å; V176-S179 PolarHBondContact O-OG 2.78Å; Q177-S179 PolarHBondContact O-N 3Å; S179-E181 PolarHBondContact O-N 3.41Å; S179-K182 WeakPolarHBondContact O-CB 3.44Å; S179-K182 PolarHBondContact O-N 3.32Å; S179-L183 PolarHBondContact O-N 3.28Å
180	M	91	Very high	94.5	Very high	25 Å²	25	64.9 Å²	64.9	12%	0.123	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-59.1	-40.5	-167	-165.1	166.8	-90.1	0	0	113.8	V176 Q177 K182 L183 L188 F281 S285	V176-M180 HydrophobicContact CG1-CE 3.77Å; V176-M180 PolarHBondContact O-N 2.88Å; Q177-M180 HydrophobicContact CG-CE 4.23Å; Q177-M180 PolarHBondContact O-N 3.29Å; M180-K182 PolarHBondContact O-N 2.92Å; M180-L183 WeakPolarHBondContact O-CB 3.39Å; M180-L183 PolarHBondContact O-N 2.96Å; M180-L183 VanDerWaalsContact O-N 3.16Å; M180-L188 HydrophobicContact CG-CD1 4.42Å; M180-F281 HydrophobicContact CE-CD2 3.78Å; M180-F281 HydrophobicContact CE-CE2 3.86Å; M180-S285 WeakPolarHBondContact SD-CA 3.23Å; M180-S285 PolarHBondContact SD-N 2.92Å; M180-S285 VanDerWaalsContact SD-N 3.36Å
181	E	88.5	Confident	94.5	Very high	196 Å²	196	66.4 Å²	66.4	92%	0.916	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-63.1	-20	176.6	-64.4	177.9	175.7	0	0	113.8	S179	S179-E181 PolarHBondContact O-N 3.41Å
182	K	92	Very high	94.5	Very high	182 Å²	182	64.6 Å²	64.6	79%	0.791	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-98.3	-6.2	-179.1	-58.9	176.3	-177.3	174	0	112.6	S179 M180	S179-K182 WeakPolarHBondContact O-CB 3.44Å; S179-K182 PolarHBondContact O-N 3.32Å; M180-K182 PolarHBondContact O-N 2.92Å
183	L	92.3	Very high	94.5	Very high	35 Å²	35	63.8 Å²	63.8	18%	0.183	32%	0.316	C	S	.	.			trans	-76.5	132.2	-178.6	-61	178.9	0	0	0	109.9	V176 S179 M180 Q187 L188	V176-L183 HydrophobicContact CG1-CD1 4.17Å; S179-L183 PolarHBondContact O-N 3.28Å; M180-L183 WeakPolarHBondContact O-CB 3.39Å; M180-L183 PolarHBondContact O-N 2.96Å; M180-L183 VanDerWaalsContact O-N 3.16Å; L183-Q187 HydrophobicContact CB-CB 4.2Å; L183-Q187 HydrophobicContact CD2-CB 4.13Å; L183-L188 HydrophobicContact CD1-CD1 4.29Å
184	S	92.6	Very high	94.5	Very high	56 Å²	56	67.6 Å²	67.6	39%	0.392	33%	0.332	S	S	.	.			trans	-65.5	160.6	163.1	62.4	0	0	0	0	110.7	N186 Q187 L188	S184-N186 PolarHBondContact O-N 3.36Å; S184-Q187 PolarHBondContact O-N 2.9Å; S184-Q187 VanDerWaalsContact O-N 3.09Å; S184-Q187 VanDerWaalsContact OG-CG 3.32Å; S184-Q187 WeakPolarHBondContact OG-CG 3.5Å; S184-Q187 PolarHBondContact OG-N 3.04Å; S184-Q187 PolarHBondContact OG-OE1 3.39Å; S184-L188 PolarHBondContact O-N 3.32Å
185	E	90.1	Very high	94.5	Very high	126 Å²	126	67.7 Å²	67.7	59%	0.589	33%	0.332	S	S	*	.	H	α-helix	trans	-55.7	-39.6	176.4	-172.8	177	175.2	0	0	112.5	L188 S189 W241	E185-L188 PolarHBondContact O-N 2.66Å; E185-S189 WeakPolarHBondContact O-CB 3.3Å; E185-S189 PolarHBondContact O-N 2.82Å; E185-W241 HydrophobicContact CG-CZ2 4Å
186	N	93.7	Very high	94.7	Very high	123 Å²	123	64.1 Å²	64.1	66%	0.658	31%	0.313	S	S	*	.	H	α-helix	trans	-62.5	-44.9	176.1	-71.2	-17.3	0	0	0	111.9	S184 L188 S189 E190	S184-N186 PolarHBondContact O-N 3.36Å; N186-L188 VanDerWaalsContact C-N 3.32Å; N186-L188 PolarHBondContact O-N 3.18Å; N186-S189 WeakPolarHBondContact O-CB 3.35Å; N186-S189 PolarHBondContact O-N 2.65Å; N186-E190 WeakPolarHBondContact O-CG 3.25Å; N186-E190 PolarHBondContact O-N 2.85Å
187	Q	95.6	Very high	94.7	Very high	85 Å²	85	64.6 Å²	64.6	40%	0.397	32%	0.315	S	S	.	.	H	α-helix	trans	-65	-38.8	176.9	-70.4	167.6	-56.9	0	0	111.5	L183 S184 S189 E190 H191	L183-Q187 HydrophobicContact CB-CB 4.2Å; L183-Q187 HydrophobicContact CD2-CB 4.13Å; S184-Q187 PolarHBondContact O-N 2.9Å; S184-Q187 VanDerWaalsContact O-N 3.09Å; S184-Q187 VanDerWaalsContact OG-CG 3.32Å; S184-Q187 WeakPolarHBondContact OG-CG 3.5Å; S184-Q187 PolarHBondContact OG-N 3.04Å; S184-Q187 PolarHBondContact OG-OE1 3.39Å; Q187-S189 VanDerWaalsContact C-N 3.34Å; Q187-E190 WeakPolarHBondContact O-CB 3.41Å; Q187-E190 PolarHBondContact O-N 2.76Å; Q187-H191 PolarHBondContact O-CD2 2.78Å; Q187-H191 PolarHBondContact O-N 3.41Å; Q187-H191 VanDerWaalsContact O-N 3.08Å
188	L	95.1	Very high	94.8	Very high	16 Å²	16	62.6 Å²	62.6	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-41.7	175.4	-168.8	67.2	0	0	0	111.3	M180 L183 S184 E185 N186 E190 H191 F192 W241 F281	M180-L188 HydrophobicContact CG-CD1 4.42Å; L183-L188 HydrophobicContact CD1-CD1 4.29Å; S184-L188 PolarHBondContact O-N 3.32Å; E185-L188 PolarHBondContact O-N 2.66Å; N186-L188 VanDerWaalsContact C-N 3.32Å; N186-L188 PolarHBondContact O-N 3.18Å; L188-E190 VanDerWaalsContact C-N 3.34Å; L188-E190 PolarHBondContact O-N 3.4Å; L188-H191 PolarHBondContact O-N 2.83Å; L188-F192 WeakPolarHBondContact O-CB 3.37Å; L188-F192 PolarHBondContact O-N 2.59Å; L188-W241 HydrophobicContact CB-CH2 4.05Å; L188-W241 HydrophobicContact CD2-CH2 4Å; L188-W241 HydrophobicContact CG-CH2 3.88Å; L188-W241 HydrophobicContact CG-CZ3 4.47Å; L188-F281 HydrophobicContact CD1-CE2 3.86Å; L188-F281 HydrophobicContact CD1-CZ 3.6Å; L188-F281 HydrophobicContact CG-CZ 4.15Å
189	S	96.1	Very high	94.9	Very high	17 Å²	17	56.2 Å²	56.2	12%	0.119	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-39.2	174	-169.2	0	0	0	0	112.4	E185 N186 Q187 F192 N193 W241	E185-S189 WeakPolarHBondContact O-CB 3.3Å; E185-S189 PolarHBondContact O-N 2.82Å; N186-S189 WeakPolarHBondContact O-CB 3.35Å; N186-S189 PolarHBondContact O-N 2.65Å; Q187-S189 VanDerWaalsContact C-N 3.34Å; S189-F192 WeakPolarHBondContact O-CB 3.46Å; S189-F192 PolarHBondContact O-N 2.62Å; S189-N193 WeakPolarHBondContact O-CB 3.34Å; S189-N193 PolarHBondContact O-N 2.92Å; S189-N193 PolarHBondContact O-ND2 3.25Å; S189-W241 VanDerWaalsContact CB-CE2 3.46Å
190	E	96.5	Very high	95.2	Very high	114 Å²	114	54 Å²	54	53%	0.533	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-43.9	174.8	-72.8	177.2	-174.2	0	0	112.1	N186 Q187 L188 N193 K194	N186-E190 WeakPolarHBondContact O-CG 3.25Å; N186-E190 PolarHBondContact O-N 2.85Å; Q187-E190 WeakPolarHBondContact O-CB 3.41Å; Q187-E190 PolarHBondContact O-N 2.76Å; L188-E190 VanDerWaalsContact C-N 3.34Å; L188-E190 PolarHBondContact O-N 3.4Å; E190-N193 PolarHBondContact O-N 3.36Å; E190-K194 WeakPolarHBondContact O-CG 3.45Å; E190-K194 PolarHBondContact O-N 3.19Å
191	H	97.4	Very high	95.3	Very high	32 Å²	32	53.6 Å²	53.6	15%	0.148	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-40.8	176.2	-71.3	-64.9	0	0	0	112	Y172 V176 Q187 L188 K194 L195 F281	Y172-H191 AromaticContact CZ-ND1 3.58Å; Y172-H191 PolarHBondContact OH-ND1 3.36Å; V176-H191 HydrophobicContact CG1-CB 4.37Å; V176-H191 WeakPolarHBondContact CG2-ND1 3.37Å; Q187-H191 PolarHBondContact O-CD2 2.78Å; Q187-H191 PolarHBondContact O-N 3.41Å; Q187-H191 VanDerWaalsContact O-N 3.08Å; L188-H191 PolarHBondContact O-N 2.83Å; H191-K194 PolarHBondContact O-N 3.09Å; H191-L195 WeakPolarHBondContact O-CG 3.14Å; H191-L195 PolarHBondContact O-N 3.13Å; H191-F281 HydrophobicContact CB-CE2 3.82Å; H191-F281 HydrophobicContact CB-CZ 4.05Å
192	F	97.9	Very high	95.1	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-56	-53.4	172.4	168.5	-102.3	0	0	0	111.3	L188 S189 K194 L195 L196 V240 W241 L244 F281 L282	L188-F192 WeakPolarHBondContact O-CB 3.37Å; L188-F192 PolarHBondContact O-N 2.59Å; S189-F192 WeakPolarHBondContact O-CB 3.46Å; S189-F192 PolarHBondContact O-N 2.62Å; F192-K194 VanDerWaalsContact C-N 3.29Å; F192-K194 PolarHBondContact O-N 2.96Å; F192-L195 PolarHBondContact O-N 3.06Å; F192-L195 VanDerWaalsContact O-N 3.13Å; F192-L196 HydrophobicContact CE1-CD2 4.05Å; F192-L196 HydrophobicContact CZ-CB 4.44Å; F192-L196 HydrophobicContact CZ-CD1 4.29Å; F192-L196 HydrophobicContact CZ-CD2 3.96Å; F192-L196 HydrophobicContact CZ-CG 4.47Å; F192-L196 WeakPolarHBondContact O-CB 3.48Å; F192-L196 PolarHBondContact O-N 3.48Å; F192-V240 HydrophobicContact CE1-CB 4.46Å; F192-V240 HydrophobicContact CZ-CB 4.1Å; F192-V240 HydrophobicContact CZ-CG1 3.72Å; F192-W241 HydrophobicContact CB-CE3 3.73Å; F192-W241 HydrophobicContact CB-CZ3 3.64Å; F192-W241 HydrophobicContact CD1-CB 4.06Å; F192-W241 HydrophobicContact CD1-CD2 4.26Å; F192-W241 AromaticContact CD1-CE3 3.51Å; F192-W241 HydrophobicContact CD1-CE3 3.51Å; F192-W241 HydrophobicContact CD1-CZ3 4.31Å; F192-W241 HydrophobicContact CD2-CE3 4.28Å; F192-W241 HydrophobicContact CE1-CB 3.86Å; F192-W241 HydrophobicContact CE1-CE3 4.19Å; F192-W241 AromaticContact CG-CE3 3.55Å; F192-W241 HydrophobicContact CG-CE3 3.55Å; F192-W241 AromaticContact CG-CZ3 3.92Å; F192-W241 HydrophobicContact CG-CZ3 3.92Å; F192-L244 HydrophobicContact CD2-CD1 4.43Å; F192-L244 HydrophobicContact CE2-CD1 3.63Å; F192-L244 HydrophobicContact CZ-CD1 3.91Å; F192-F281 HydrophobicContact CB-CE1 3.69Å; F192-F281 HydrophobicContact CB-CZ 4.09Å; F192-F281 HydrophobicContact CD2-CE1 4.2Å; F192-F281 HydrophobicContact CG-CE1 4.47Å; F192-L282 HydrophobicContact CD2-CD2 4.13Å; F192-L282 HydrophobicContact CE2-CD2 4.07Å
193	N	97.5	Very high	94.1	Very high	23 Å²	23	35.6 Å²	35.6	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-40	-179	-82.9	-61.7	0	0	0	111.8	S189 E190 Q197 S237	S189-N193 WeakPolarHBondContact O-CB 3.34Å; S189-N193 PolarHBondContact O-N 2.92Å; S189-N193 PolarHBondContact O-ND2 3.25Å; E190-N193 PolarHBondContact O-N 3.36Å; N193-Q197 WeakPolarHBondContact O-CB 3.12Å; N193-Q197 VanDerWaalsContact O-CG 3.31Å; N193-Q197 WeakPolarHBondContact O-CG 3.35Å; N193-Q197 PolarHBondContact O-N 2.94Å; N193-S237 WeakPolarHBondContact OD1-CB 3.37Å; N193-S237 PolarHBondContact OD1-OG 3.26Å
194	K	96.9	Very high	93	Very high	80 Å²	80	36.6 Å²	36.6	35%	0.348	18%	0.182	S	C	.	.	H	α-helix	trans	-61.2	-48.4	174.8	-74.5	170.9	-179.5	170.4	0	111.7	Y172 E190 H191 F192 Q197 V198 I222 L225	Y172-K194 WeakPolarHBondContact OH-CD 3.48Å; E190-K194 WeakPolarHBondContact O-CG 3.45Å; E190-K194 PolarHBondContact O-N 3.19Å; H191-K194 PolarHBondContact O-N 3.09Å; F192-K194 VanDerWaalsContact C-N 3.29Å; F192-K194 PolarHBondContact O-N 2.96Å; K194-Q197 PolarHBondContact O-N 3.38Å; K194-V198 WeakPolarHBondContact O-CG2 3.41Å; K194-V198 PolarHBondContact O-N 3.41Å; K194-I222 HydrophobicContact CB-CD1 4.31Å; K194-L225 HydrophobicContact CB-CD1 3.91Å; K194-L225 HydrophobicContact CG-CD1 4.01Å
195	L	98.3	Very high	91.2	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-69.9	-35.8	-178.4	-68.4	177.1	0	0	0	112.6	L169 Y172 H191 F192 Q197 V198 S199 I222 V277 L278 F281	L169-L195 HydrophobicContact CD1-CD2 3.87Å; Y172-L195 HydrophobicContact CD1-CD2 3.98Å; Y172-L195 HydrophobicContact CE1-CD1 4.48Å; Y172-L195 HydrophobicContact CE1-CD2 3.77Å; Y172-L195 HydrophobicContact CE1-CG 4.08Å; H191-L195 WeakPolarHBondContact O-CG 3.14Å; H191-L195 PolarHBondContact O-N 3.13Å; F192-L195 PolarHBondContact O-N 3.06Å; F192-L195 VanDerWaalsContact O-N 3.13Å; L195-Q197 VanDerWaalsContact C-N 3.34Å; L195-V198 PolarHBondContact O-N 3.12Å; L195-S199 PolarHBondContact O-N 3.28Å; L195-I222 HydrophobicContact CD2-CD1 4.29Å; L195-V277 HydrophobicContact CD2-CG1 3.82Å; L195-L278 HydrophobicContact CB-CD1 4.02Å; L195-F281 HydrophobicContact CD1-CB 3.39Å; L195-F281 HydrophobicContact CD1-CD1 4.05Å; L195-F281 HydrophobicContact CD1-CD2 3.61Å; L195-F281 HydrophobicContact CD1-CE2 4.41Å; L195-F281 HydrophobicContact CD1-CG 3.39Å
196	L	98.4	Very high	89.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-43.6	172.8	-170.3	72.6	0	0	0	111.1	F192 S199 L200 L278 L413 I448	F192-L196 HydrophobicContact CE1-CD2 4.05Å; F192-L196 HydrophobicContact CZ-CB 4.44Å; F192-L196 HydrophobicContact CZ-CD1 4.29Å; F192-L196 HydrophobicContact CZ-CD2 3.96Å; F192-L196 HydrophobicContact CZ-CG 4.47Å; F192-L196 WeakPolarHBondContact O-CB 3.48Å; F192-L196 PolarHBondContact O-N 3.48Å; L196-S199 PolarHBondContact O-N 3Å; L196-L200 PolarHBondContact O-N 3.48Å; L196-L278 HydrophobicContact CD1-CD2 4Å; L196-L413 HydrophobicContact CD1-CD1 3.67Å; L196-L413 HydrophobicContact CD1-CD2 3.97Å; L196-L413 HydrophobicContact CD1-CG 4.46Å; L196-L413 HydrophobicContact CG-CD1 4.44Å; L196-L413 HydrophobicContact CG-CD2 4.15Å; L196-I448 HydrophobicContact CD2-CD1 4.18Å; L196-I448 HydrophobicContact CD2-CG2 4.18Å; L196-I448 HydrophobicContact CG-CD1 4.5Å
197	Q	97.3	Very high	87.4	Confident	15 Å²	15	23.6 Å²	23.6	7%	0.07	11%	0.113	C	C	.	.	H	α-helix	trans	-69.6	-34.3	175.6	-70.1	-173.8	44.8	0	0	112.7	N193 K194 L195 S199 L200 W201 L225 Q229 I232 I448	N193-Q197 WeakPolarHBondContact O-CB 3.12Å; N193-Q197 VanDerWaalsContact O-CG 3.31Å; N193-Q197 WeakPolarHBondContact O-CG 3.35Å; N193-Q197 PolarHBondContact O-N 2.94Å; K194-Q197 PolarHBondContact O-N 3.38Å; L195-Q197 VanDerWaalsContact C-N 3.34Å; Q197-S199 VanDerWaalsContact C-N 3.34Å; Q197-L200 WeakPolarHBondContact O-CB 3.29Å; Q197-L200 PolarHBondContact O-N 2.95Å; Q197-W201 WeakPolarHBondContact O-CB 3.35Å; Q197-W201 PolarHBondContact O-N 2.92Å; Q197-L225 HydrophobicContact CB-CD1 4.41Å; Q197-L225 HydrophobicContact CB-CD2 3.78Å; Q197-Q229 VanDerWaalsContact NE2-OE1 3.08Å; Q197-I232 HydrophobicContact CG-CD1 4.12Å; Q197-I448 HydrophobicContact CG-CD1 4.21Å
198	V	96.4	Very high	85.3	Confident	5 Å²	5	21 Å²	21	3%	0.03	10%	0.104	C	C	.	.	H	α-helix	trans	-63.2	-42.7	171.5	169.8	0	0	0	0	110.7	L169 K194 L195 L200 W201 G202 P221 I222 L225 T274	L169-V198 HydrophobicContact CD1-CG1 4.02Å; L169-V198 HydrophobicContact CD2-CG1 3.92Å; K194-V198 WeakPolarHBondContact O-CG2 3.41Å; K194-V198 PolarHBondContact O-N 3.41Å; L195-V198 PolarHBondContact O-N 3.12Å; V198-L200 VanDerWaalsContact C-N 3.35Å; V198-L200 PolarHBondContact O-N 2.93Å; V198-W201 PolarHBondContact O-N 3.2Å; V198-G202 PolarHBondContact O-N 3.47Å; V198-P221 HydrophobicContact CG1-CB 4Å; V198-P221 HydrophobicContact CG2-CB 4.05Å; V198-I222 HydrophobicContact CG2-CD1 3.62Å; V198-I222 HydrophobicContact CG2-CG1 4.36Å; V198-L225 HydrophobicContact CG2-CD1 4.1Å; V198-L225 HydrophobicContact CG2-CD2 4.05Å; V198-L225 HydrophobicContact CG2-CG 4.34Å; V198-T274 HydrophobicContact CG1-CG2 3.57Å
199	S	97.6	Very high	83.2	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-40	174	166.9	0	0	0	0	112.7	L195 L196 Q197 T274 D275 K378	L195-S199 PolarHBondContact O-N 3.28Å; L196-S199 PolarHBondContact O-N 3Å; Q197-S199 VanDerWaalsContact C-N 3.34Å; S199-T274 WeakPolarHBondContact CA-OG1 3.27Å; S199-D275 PolarHBondContact OG-OD1 2.61Å; S199-K378 WeakPolarHBondContact O-CE 3.29Å; S199-K378 PolarHBondContact O-NZ 2.82Å; S199-K378 WeakPolarHBondContact OG-CE 3.45Å; S199-K378 PolarHBondContact OG-NZ 2.91Å
200	L	97.1	Very high	81.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-50.2	172.7	176.2	68.8	0	0	0	112	L196 Q197 V198 I232 L413 A446 V447 I448	L196-L200 PolarHBondContact O-N 3.48Å; Q197-L200 WeakPolarHBondContact O-CB 3.29Å; Q197-L200 PolarHBondContact O-N 2.95Å; V198-L200 VanDerWaalsContact C-N 3.35Å; V198-L200 PolarHBondContact O-N 2.93Å; L200-I232 HydrophobicContact CD2-CD1 4Å; L200-I232 HydrophobicContact CD2-CG1 4.17Å; L200-L413 VanDerWaalsContact CD1-C 3.4Å; L200-L413 HydrophobicContact CD1-CB 4Å; L200-A446 HydrophobicContact CD1-CB 4.03Å; L200-A446 HydrophobicContact CD2-CB 3.76Å; L200-A446 HydrophobicContact CG-CB 3.98Å; L200-V447 WeakPolarHBondContact CD1-O 3.4Å; L200-I448 HydrophobicContact CD1-CG1 4.4Å; L200-I448 HydrophobicContact CD2-CD1 4.03Å; L200-I448 HydrophobicContact CD2-CG1 3.72Å
201	W	94.1	Very high	78.9	Confident	16 Å²	16	18.4 Å²	18.4	6%	0.061	10%	0.096	C	C	.	.	H	α-helix	trans	-84.4	-9.8	-174.1	-65.3	120.7	0	0	0	113.9	Q197 V198 N203 K204 L228 F231 I232 T415 K444 A446	Q197-W201 WeakPolarHBondContact O-CB 3.35Å; Q197-W201 PolarHBondContact O-N 2.92Å; V198-W201 PolarHBondContact O-N 3.2Å; W201-N203 PolarHBondContact O-N 3.05Å; W201-N203 VanDerWaalsContact O-N 3.14Å; W201-K204 HydrophobicContact CD2-CD 4.45Å; W201-K204 HydrophobicContact CE3-CD 3.6Å; W201-K204 HydrophobicContact CE3-CG 3.94Å; W201-K204 HydrophobicContact CZ3-CD 4.08Å; W201-K204 HydrophobicContact CZ3-CG 4.48Å; W201-K204 VanDerWaalsContact O-CB 3.32Å; W201-K204 WeakPolarHBondContact O-CB 3.33Å; W201-K204 PolarHBondContact O-N 3.4Å; W201-L228 HydrophobicContact CB-CD1 4.22Å; W201-L228 HydrophobicContact CD2-CB 4.45Å; W201-L228 HydrophobicContact CD2-CD1 3.99Å; W201-L228 HydrophobicContact CG-CD1 3.74Å; W201-L228 HydrophobicContact CZ2-CB 3.99Å; W201-L228 WeakPolarHBondContact CZ2-O 3.49Å; W201-F231 HydrophobicContact CH2-CB 3.74Å; W201-F231 HydrophobicContact CZ2-CB 4.14Å; W201-I232 HydrophobicContact CZ2-CD1 4.44Å; W201-I232 HydrophobicContact CZ2-CG1 3.68Å; W201-T415 HydrophobicContact CE3-CG2 3.67Å; W201-T415 HydrophobicContact CZ3-CG2 3.84Å; W201-K444 WeakPolarHBondContact CH2-O 2.93Å; W201-A446 HydrophobicContact CE3-CB 4.21Å; W201-A446 HydrophobicContact CH2-CB 3.32Å; W201-A446 HydrophobicContact CZ2-CB 3.81Å; W201-A446 HydrophobicContact CZ3-CB 3.53Å
202	G	85.4	Confident	76.4	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-54.4	-30.9	171.9	0	0	0	0	0	112.3	V198 K204 C205	V198-G202 PolarHBondContact O-N 3.47Å; G202-K204 PolarHBondContact O-N 3.03Å; G202-C205 PolarHBondContact O-N 2.86Å
203	N	70.2	Confident	73.6	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-72.8	-0.5	175.9	-154.9	-10.6	0	0	0	114.2	W201 C205 D206 D266 N267 E271 G379 T415 K417	W201-N203 PolarHBondContact O-N 3.05Å; W201-N203 VanDerWaalsContact O-N 3.14Å; N203-C205 PolarHBondContact O-N 3.45Å; N203-D206 WeakPolarHBondContact O-CB 3.44Å; N203-D206 PolarHBondContact O-N 3.18Å; N203-D206 WeakPolarHBondContact OD1-CB 3.48Å; N203-D266 PolarHBondContact ND2-OD2 3.4Å; N203-N267 PolarHBondContact OD1-ND2 3.03Å; N203-E271 WeakPolarHBondContact CA-OE2 3.48Å; N203-E271 VanDerWaalsContact CB-OE2 3.29Å; N203-E271 WeakPolarHBondContact CB-OE2 3.38Å; N203-E271 PolarHBondContact OD1-OE2 3.44Å; N203-G379 WeakPolarHBondContact ND2-CA 3.45Å; N203-T415 HydrophobicContact CB-CG2 4.4Å; N203-K417 VanDerWaalsContact CG-NZ 3.26Å; N203-K417 PolarHBondContact O-NZ 2.97Å; N203-K417 PolarHBondContact OD1-NZ 3.37Å
204	K	68.1	Low	71.4	Confident	55 Å²	55	31.2 Å²	31.2	24%	0.239	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-70.4	-18.6	169.5	-86.7	-177	161.6	160.2	0	112.8	W201 G202 D206 N215 L228 T415 G443 K444	W201-K204 HydrophobicContact CD2-CD 4.45Å; W201-K204 HydrophobicContact CE3-CD 3.6Å; W201-K204 HydrophobicContact CE3-CG 3.94Å; W201-K204 HydrophobicContact CZ3-CD 4.08Å; W201-K204 HydrophobicContact CZ3-CG 4.48Å; W201-K204 VanDerWaalsContact O-CB 3.32Å; W201-K204 WeakPolarHBondContact O-CB 3.33Å; W201-K204 PolarHBondContact O-N 3.4Å; G202-K204 PolarHBondContact O-N 3.03Å; K204-D206 PolarHBondContact O-N 2.83Å; K204-N215 PolarHBondContact O-ND2 3.48Å; K204-L228 VanDerWaalsContact NZ-CD2 3.33Å; K204-T415 HydrophobicContact CG-CG2 4.4Å; K204-G443 VanDerWaalsContact CE-O 3.3Å; K204-G443 WeakPolarHBondContact CE-O 3.2Å; K204-K444 PolarHBondContact NZ-O 3.5Å
205	C	54.6	Low	69.3	Low	10 Å²	10	31.1 Å²	31.1	7%	0.068	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-86.3	17.4	175.4	-60.3	0	0	0	0	113.7	G202 N203 L207 N215	G202-C205 PolarHBondContact O-N 2.86Å; N203-C205 PolarHBondContact O-N 3.45Å; C205-L207 PolarHBondContact O-N 3.34Å; C205-N215 VanDerWaalsContact CA-O 3.31Å; C205-N215 WeakPolarHBondContact CA-O 3.21Å; C205-N215 WeakPolarHBondContact CB-O 3.35Å
206	D	53.3	Low	67.3	Low	7 Å²	7	32.4 Å²	32.4	4%	0.037	18%	0.177	C	C	.	.			trans	-67.3	127.1	-173.1	179.7	8.4	0	0	0	113	N203 K204 S208 K417	N203-D206 WeakPolarHBondContact O-CB 3.44Å; N203-D206 PolarHBondContact O-N 3.18Å; N203-D206 WeakPolarHBondContact OD1-CB 3.48Å; K204-D206 PolarHBondContact O-N 2.83Å; D206-S208 VanDerWaalsContact OD1-CB 3.29Å; D206-S208 WeakPolarHBondContact OD1-CB 3.43Å; D206-S208 PolarHBondContact OD1-N 3.28Å; D206-S208 PolarHBondContact OD1-OG 3.25Å; D206-S208 PolarHBondContact OD2-OG 3.16Å; D206-K417 VanDerWaalsContact OD2-CD 3.3Å; D206-K417 WeakPolarHBondContact OD2-CD 3.47Å; D206-K417 WeakPolarHBondContact OD2-CE 3.37Å; D206-K417 IonicContact OD2-NZ 3.7Å; D206-K417 PolarHBondContact OD2-NZ 3.44Å
207	L	52.6	Low	65.3	Low	16 Å²	16	34.9 Å²	34.9	8%	0.084	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-21.9	-179.9	-63	177.1	0	0	0	112.1	C205 S210 A211 G212 Q213 V302	C205-L207 PolarHBondContact O-N 3.34Å; L207-S210 WeakPolarHBondContact CA-OG 3.33Å; L207-S210 PolarHBondContact O-N 2.69Å; L207-S210 PolarHBondContact O-OG 2.98Å; L207-A211 PolarHBondContact O-N 3.18Å; L207-G212 WeakPolarHBondContact O-CA 3.32Å; L207-G212 PolarHBondContact O-N 2.98Å; L207-Q213 WeakPolarHBondContact CD2-O 3.31Å; L207-V302 HydrophobicContact CB-CG1 4.39Å
208	S	50.6	Low	63.5	Low	31 Å²	31	41.1 Å²	41.1	22%	0.217	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-40.4	-176.5	74.5	0	0	0	0	112.5	D206 S210 A211	D206-S208 VanDerWaalsContact OD1-CB 3.29Å; D206-S208 WeakPolarHBondContact OD1-CB 3.43Å; D206-S208 PolarHBondContact OD1-N 3.28Å; D206-S208 PolarHBondContact OD1-OG 3.25Å; D206-S208 PolarHBondContact OD2-OG 3.16Å; S208-S210 VanDerWaalsContact C-N 3.32Å; S208-S210 PolarHBondContact O-N 2.93Å; S208-A211 PolarHBondContact O-N 2.99Å
209	I	50.9	Low	62.1	Low	47 Å²	47	43.8 Å²	43.8	24%	0.241	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-42.8	174.9	-70.9	-176.5	0	0	0	111.4	A211 K417	I209-A211 PolarHBondContact O-N 3.11Å; I209-K417 HydrophobicContact CD1-CB 3.9Å; I209-K417 HydrophobicContact CD1-CD 3.37Å; I209-K417 VanDerWaalsContact CD1-CE 3.42Å; I209-K417 HydrophobicContact CD1-CG 3.55Å; I209-K417 HydrophobicContact CG1-CB 4.24Å; I209-K417 HydrophobicContact CG1-CD 3.79Å; I209-K417 HydrophobicContact CG1-CG 4.25Å
210	S	53.3	Low	61.3	Low	30 Å²	30	45.4 Å²	45.4	21%	0.21	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	8	-176	70.5	0	0	0	0	111.7	L207 S208 G212 Q213	L207-S210 WeakPolarHBondContact CA-OG 3.33Å; L207-S210 PolarHBondContact O-N 2.69Å; L207-S210 PolarHBondContact O-OG 2.98Å; S208-S210 VanDerWaalsContact C-N 3.32Å; S208-S210 PolarHBondContact O-N 2.93Å; S210-G212 PolarHBondContact O-N 3.41Å; S210-Q213 WeakPolarHBondContact CB-O 3.47Å; S210-Q213 WeakPolarHBondContact O-CB 3.35Å; S210-Q213 WeakPolarHBondContact O-CG 3.44Å; S210-Q213 PolarHBondContact O-N 3.01Å; S210-Q213 PolarHBondContact OG-N 2.91Å; S210-Q213 PolarHBondContact OG-O 3.24Å
211	A	48.6	Very low	60.7	Low	14 Å²	14	45.7 Å²	45.7	12%	0.116	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	34.9	-171.9	0	0	0	0	0	111.7	T39 K43 L207 S208 I209	T39-A211 HydrophobicContact CG2-CB 3.75Å; K43-A211 WeakPolarHBondContact CD-O 3.48Å; K43-A211 WeakPolarHBondContact CE-O 3.33Å; K43-A211 PolarHBondContact NZ-O 3.11Å; L207-A211 PolarHBondContact O-N 3.18Å; S208-A211 PolarHBondContact O-N 2.99Å; I209-A211 PolarHBondContact O-N 3.11Å
212	G	44.8	Very low	60.3	Low	32 Å²	32	45.8 Å²	45.8	33%	0.33	25%	0.252	S	S	.	.	S	Bend	trans	84.9	27.2	-176	0	0	0	0	0	114.6	K43 L207 S210	K43-G212 PolarHBondContact NZ-O 3.14Å; L207-G212 WeakPolarHBondContact O-CA 3.32Å; L207-G212 PolarHBondContact O-N 2.98Å; S210-G212 PolarHBondContact O-N 3.41Å
213	Q	40.3	Very low	60.4	Low	133 Å²	133	51.6 Å²	51.6	62%	0.621	28%	0.283	S	S	*	.			trans	-96.1	153.9	172	-67.7	-173.7	-15	0	0	111.6	L207 S210	L207-Q213 WeakPolarHBondContact CD2-O 3.31Å; S210-Q213 WeakPolarHBondContact CB-O 3.47Å; S210-Q213 WeakPolarHBondContact O-CB 3.35Å; S210-Q213 WeakPolarHBondContact O-CG 3.44Å; S210-Q213 PolarHBondContact O-N 3.01Å; S210-Q213 PolarHBondContact OG-N 2.91Å; S210-Q213 PolarHBondContact OG-O 3.24Å
214	E	50.8	Low	61.1	Low	161 Å²	161	53 Å²	53	75%	0.752	29%	0.293	S	S	*	.			trans	-59.9	133.3	-171.9	-64.2	169.7	-163.4	0	0	113.4
215	N	53.7	Low	62.1	Low	77 Å²	77	51 Å²	51	41%	0.412	29%	0.285	S	S	.	.			trans	-152.5	86.5	172.8	-168.1	6.3	0	0	0	109.5	K204 C205	K204-N215 PolarHBondContact O-ND2 3.48Å; C205-N215 VanDerWaalsContact CA-O 3.31Å; C205-N215 WeakPolarHBondContact CA-O 3.21Å; C205-N215 WeakPolarHBondContact CB-O 3.35Å
216	S	55.3	Low	63.9	Low	30 Å²	30	55.6 Å²	55.6	21%	0.21	32%	0.315	C	S	.	.			trans	-108.1	141.4	-173.5	48.5	0	0	0	0	113.7	E161	E161-S216 PolarHBondContact OE2-OG 3.01Å
217	Q	57.3	Low	65.6	Low	53 Å²	53	59 Å²	59	25%	0.248	34%	0.339	C	S	.	.			trans	-87.5	113.3	176.3	-172.7	69.3	11.7	0	0	110.1	A165 F270	A165-Q217 HydrophobicContact CB-CB 4.19Å; A165-Q217 HydrophobicContact CB-CG 4Å; A165-Q217 WeakPolarHBondContact CB-O 3.39Å; Q217-F270 HydrophobicContact CB-CD1 4.36Å; Q217-F270 HydrophobicContact CB-CE1 4.37Å; Q217-F270 HydrophobicContact CG-CE1 4.4Å
218	K	58.1	Low	67.4	Low	146 Å²	146	59.3 Å²	59.3	64%	0.635	34%	0.341	S	S	*	.			trans	-103.4	-15.4	-176.6	-61.9	-177.9	-178.6	177.5	0	114.3	Q164	Q164-K218 PolarHBondContact OE1-O 2.84Å
219	A	68.8	Low	69.4	Low	60 Å²	60	61.5 Å²	61.5	50%	0.496	35%	0.347	S	S	.	.	S	Bend	trans	-103	160.4	179.3	0	0	0	0	0	111.7	P221	A219-P221 VanDerWaalsContact O-CD 3.28Å; A219-P221 WeakPolarHBondContact O-CD 3.39Å; A219-P221 VanDerWaalsContact O-N 3.15Å
220	S	80.1	Confident	71.4	Confident	34 Å²	34	63.7 Å²	63.7	24%	0.238	37%	0.367	C	S	.	.			trans	-51.3	117.1	171.7	172.6	0	0	0	0	110.6	I222 D223 S224	S220-I222 VanDerWaalsContact C-N 3.26Å; S220-I222 PolarHBondContact O-N 3.38Å; S220-D223 WeakPolarHBondContact CB-OD2 3.45Å; S220-D223 PolarHBondContact O-N 3.48Å; S220-D223 VanDerWaalsContact OG-CG 3.28Å; S220-D223 PolarHBondContact OG-OD2 3.03Å; S220-S224 PolarHBondContact O-N 2.97Å
221	P	83.9	Confident	73.5	Confident	6 Å²	6	64.8 Å²	64.8	4%	0.039	37%	0.368	C	S	.	.	H	α-helix	trans	-60.6	-37.9	-178.4	-23.2	32.1	0	0	0	112.3	A165 V198 A219 D223 S224 F270	A165-P221 HydrophobicContact CB-CG 3.95Å; V198-P221 HydrophobicContact CG1-CB 4Å; V198-P221 HydrophobicContact CG2-CB 4.05Å; A219-P221 VanDerWaalsContact O-CD 3.28Å; A219-P221 WeakPolarHBondContact O-CD 3.39Å; A219-P221 VanDerWaalsContact O-N 3.15Å; P221-D223 PolarHBondContact O-N 2.92Å; P221-S224 PolarHBondContact O-N 3.47Å; P221-S224 PolarHBondContact O-OG 3.27Å; P221-F270 HydrophobicContact CB-CZ 4.16Å; P221-F270 HydrophobicContact CG-CE1 4.28Å; P221-F270 HydrophobicContact CG-CE2 4.18Å; P221-F270 HydrophobicContact CG-CZ 3.43Å; P221-F270 VanDerWaalsContact CG-CZ 3.43Å
222	I	86.9	Confident	75.8	Confident	18 Å²	18	65 Å²	65	9%	0.092	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-41.9	-178.7	-61.4	-71.9	0	0	0	111.2	L169 Y172 K194 L195 V198 S220 S224 L225	L169-I222 HydrophobicContact CD1-CD1 4.31Å; L169-I222 HydrophobicContact CD1-CG1 4.4Å; Y172-I222 HydrophobicContact CD1-CD1 3.92Å; Y172-I222 HydrophobicContact CD1-CG1 4.18Å; Y172-I222 HydrophobicContact CD2-CD1 4.4Å; Y172-I222 HydrophobicContact CD2-CG1 4.08Å; Y172-I222 HydrophobicContact CD2-CG2 4.24Å; Y172-I222 HydrophobicContact CE1-CD1 3.78Å; Y172-I222 HydrophobicContact CE1-CG1 4.43Å; Y172-I222 HydrophobicContact CE2-CD1 4.27Å; Y172-I222 HydrophobicContact CE2-CG1 4.34Å; Y172-I222 HydrophobicContact CE2-CG2 3.99Å; Y172-I222 HydrophobicContact CG-CD1 4.21Å; Y172-I222 HydrophobicContact CG-CG1 3.97Å; K194-I222 HydrophobicContact CB-CD1 4.31Å; L195-I222 HydrophobicContact CD2-CD1 4.29Å; V198-I222 HydrophobicContact CG2-CD1 3.62Å; V198-I222 HydrophobicContact CG2-CG1 4.36Å; S220-I222 VanDerWaalsContact C-N 3.26Å; S220-I222 PolarHBondContact O-N 3.38Å; I222-S224 PolarHBondContact O-N 3.11Å; I222-L225 WeakPolarHBondContact O-CB 3.2Å; I222-L225 WeakPolarHBondContact O-CG 3.37Å; I222-L225 PolarHBondContact O-N 3.17Å
223	D	85.8	Confident	78.3	Confident	124 Å²	124	64.5 Å²	64.5	66%	0.663	36%	0.357	S	S	*	.	H	α-helix	trans	-72	-21.3	-176.6	-60	-32.3	0	0	0	112.3	S220 P221 P226	S220-D223 WeakPolarHBondContact CB-OD2 3.45Å; S220-D223 PolarHBondContact O-N 3.48Å; S220-D223 VanDerWaalsContact OG-CG 3.28Å; S220-D223 PolarHBondContact OG-OD2 3.03Å; P221-D223 PolarHBondContact O-N 2.92Å; D223-P226 WeakPolarHBondContact O-CD 3.45Å
224	S	86.1	Confident	81.1	Confident	30 Å²	30	59.1 Å²	59.1	21%	0.21	33%	0.332	C	S	.	.	H	α-helix	trans	-79.6	-21.3	178.3	75.5	0	0	0	0	113.7	S220 P221 I222 P226 S227 L228	S220-S224 PolarHBondContact O-N 2.97Å; P221-S224 PolarHBondContact O-N 3.47Å; P221-S224 PolarHBondContact O-OG 3.27Å; I222-S224 PolarHBondContact O-N 3.11Å; S224-P226 VanDerWaalsContact C-CD 3.46Å; S224-S227 PolarHBondContact O-N 2.72Å; S224-S227 VanDerWaalsContact O-N 3.1Å; S224-S227 PolarHBondContact O-OG 3.26Å; S224-L228 PolarHBondContact O-N 2.97Å
225	L	89.8	Confident	83.3	Confident	12 Å²	12	54.3 Å²	54.3	6%	0.063	31%	0.312	C	S	.	.	H	α-helix	trans	-54.1	-43.2	-172.2	-64	179.2	0	0	0	114.7	K194 Q197 V198 I222 S227 L228 Q229	K194-L225 HydrophobicContact CB-CD1 3.91Å; K194-L225 HydrophobicContact CG-CD1 4.01Å; Q197-L225 HydrophobicContact CB-CD1 4.41Å; Q197-L225 HydrophobicContact CB-CD2 3.78Å; V198-L225 HydrophobicContact CG2-CD1 4.1Å; V198-L225 HydrophobicContact CG2-CD2 4.05Å; V198-L225 HydrophobicContact CG2-CG 4.34Å; I222-L225 WeakPolarHBondContact O-CB 3.2Å; I222-L225 WeakPolarHBondContact O-CG 3.37Å; I222-L225 PolarHBondContact O-N 3.17Å; L225-S227 PolarHBondContact O-N 3.19Å; L225-L228 WeakPolarHBondContact O-CA 3.41Å; L225-L228 PolarHBondContact O-N 2.86Å; L225-Q229 PolarHBondContact O-N 3.24Å; L225-Q229 VanDerWaalsContact O-N 3.12Å
226	P	91.1	Very high	85.4	Confident	107 Å²	107	52.9 Å²	52.9	70%	0.695	30%	0.304	S	S	*	.	H	α-helix	trans	-57.8	-35.7	-179.7	-25.7	36	0	0	0	113.2	D223 S224 L228	D223-P226 WeakPolarHBondContact O-CD 3.45Å; S224-P226 VanDerWaalsContact C-CD 3.46Å; P226-L228 VanDerWaalsContact C-N 3.27Å; P226-L228 PolarHBondContact O-N 3.4Å
227	S	89.3	Confident	87.5	Confident	77 Å²	77	51.7 Å²	51.7	54%	0.538	30%	0.296	S	S	.	.	H	α-helix	trans	-72.8	-22.1	177.4	74.2	0	0	0	0	113.1	S224 L225	S224-S227 PolarHBondContact O-N 2.72Å; S224-S227 VanDerWaalsContact O-N 3.1Å; S224-S227 PolarHBondContact O-OG 3.26Å; L225-S227 PolarHBondContact O-N 3.19Å
228	L	90.9	Very high	89.3	Confident	24 Å²	24	54 Å²	54	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-92.8	-18.4	-175.6	-63.5	-178.2	0	0	0	113.6	W201 K204 S224 L225 P226 S230 F231	W201-L228 HydrophobicContact CB-CD1 4.22Å; W201-L228 HydrophobicContact CD2-CB 4.45Å; W201-L228 HydrophobicContact CD2-CD1 3.99Å; W201-L228 HydrophobicContact CG-CD1 3.74Å; W201-L228 HydrophobicContact CZ2-CB 3.99Å; W201-L228 WeakPolarHBondContact CZ2-O 3.49Å; K204-L228 VanDerWaalsContact NZ-CD2 3.33Å; S224-L228 PolarHBondContact O-N 2.97Å; L225-L228 WeakPolarHBondContact O-CA 3.41Å; L225-L228 PolarHBondContact O-N 2.86Å; P226-L228 VanDerWaalsContact C-N 3.27Å; P226-L228 PolarHBondContact O-N 3.4Å; L228-S230 PolarHBondContact O-N 3.33Å; L228-S230 VanDerWaalsContact O-N 3.16Å; L228-F231 HydrophobicContact CD2-CD2 4.27Å; L228-F231 WeakPolarHBondContact O-CB 2.94Å; L228-F231 PolarHBondContact O-N 3.46Å
229	Q	91.6	Very high	91.1	Very high	77 Å²	77	50.6 Å²	50.6	36%	0.36	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-54.7	-37.9	-175.5	-173.5	61.7	59.9	0	0	113.2	Q197 L225 F231 I232 N235	Q197-Q229 VanDerWaalsContact NE2-OE1 3.08Å; L225-Q229 PolarHBondContact O-N 3.24Å; L225-Q229 VanDerWaalsContact O-N 3.12Å; Q229-F231 PolarHBondContact O-N 2.72Å; Q229-I232 PolarHBondContact O-N 3.2Å; Q229-N235 PolarHBondContact NE2-ND2 2.72Å
230	S	94	Very high	92.4	Very high	93 Å²	93	47.8 Å²	47.8	65%	0.65	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-69.6	-12.9	-179.9	68.1	0	0	0	0	114.4	L228	L228-S230 PolarHBondContact O-N 3.33Å; L228-S230 VanDerWaalsContact O-N 3.16Å
231	F	95.7	Very high	93.1	Very high	52 Å²	52	47 Å²	47	23%	0.228	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-96.4	-0.7	178.5	-58.1	-64.3	0	0	0	113.3	W201 L228 Q229 L233 K444 Y445 A446	W201-F231 HydrophobicContact CH2-CB 3.74Å; W201-F231 HydrophobicContact CZ2-CB 4.14Å; L228-F231 HydrophobicContact CD2-CD2 4.27Å; L228-F231 WeakPolarHBondContact O-CB 2.94Å; L228-F231 PolarHBondContact O-N 3.46Å; Q229-F231 PolarHBondContact O-N 2.72Å; F231-L233 PolarHBondContact O-N 2.97Å; F231-K444 WeakPolarHBondContact CB-O 3.2Å; F231-K444 HydrophobicContact CD1-CG 4.05Å; F231-K444 HydrophobicContact CE1-CD 4.32Å; F231-K444 HydrophobicContact CE1-CG 4.19Å; F231-Y445 HydrophobicContact CB-CD1 4.35Å; F231-Y445 HydrophobicContact CD1-CD1 4.15Å; F231-Y445 AromaticContact CD1-CE1 3.89Å; F231-Y445 HydrophobicContact CD1-CE1 3.89Å; F231-Y445 CarbonylContact O-C 3.52Å; F231-Y445 WeakPolarHBondContact O-CA 3.35Å; F231-A446 PolarHBondContact O-N 3.37Å
232	I	97.6	Very high	93.6	Very high	18 Å²	18	50.9 Å²	50.9	9%	0.092	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	106.4	172.2	-53	-179.2	0	0	0	108.3	Q197 L200 W201 Q229 V234 N235 A446	Q197-I232 HydrophobicContact CG-CD1 4.12Å; L200-I232 HydrophobicContact CD2-CD1 4Å; L200-I232 HydrophobicContact CD2-CG1 4.17Å; W201-I232 HydrophobicContact CZ2-CD1 4.44Å; W201-I232 HydrophobicContact CZ2-CG1 3.68Å; Q229-I232 PolarHBondContact O-N 3.2Å; I232-V234 WeakPolarHBondContact CG2-O 3.38Å; I232-N235 HydrophobicContact CG2-CB 3.75Å; I232-A446 CarbonylContact C-O 3.58Å; I232-A446 WeakPolarHBondContact CA-O 3.39Å
233	L	98.2	Very high	93.8	Very high	23 Å²	23	50.6 Å²	50.6	12%	0.12	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-32.6	-172.4	-61.8	-178.1	0	0	0	113.6	F231 L416 L424 Q428 L432 W439 Y445 A446 V447	F231-L233 PolarHBondContact O-N 2.97Å; L233-L416 HydrophobicContact CD1-CD2 4.18Å; L233-L424 HydrophobicContact CB-CD2 4.23Å; L233-Q428 PolarHBondContact O-NE2 3.01Å; L233-Q428 VanDerWaalsContact O-NE2 3.13Å; L233-L432 HydrophobicContact CD1-CD1 3.68Å; L233-L432 HydrophobicContact CD2-CD1 3.75Å; L233-L432 HydrophobicContact CD2-CD2 4.27Å; L233-L432 HydrophobicContact CG-CD1 4.37Å; L233-W439 HydrophobicContact CD1-CE3 3.79Å; L233-W439 HydrophobicContact CD1-CZ3 3.49Å; L233-W439 VanDerWaalsContact CD1-CZ3 3.49Å; L233-Y445 HydrophobicContact CD1-CD1 4.16Å; L233-Y445 HydrophobicContact CD1-CG 4.22Å; L233-Y445 HydrophobicContact CD2-CD1 3.55Å; L233-Y445 HydrophobicContact CD2-CE1 4.11Å; L233-Y445 HydrophobicContact CD2-CG 4.42Å; L233-Y445 HydrophobicContact CG-CD1 3.94Å; L233-Y445 HydrophobicContact CG-CG 4.39Å; L233-A446 PolarHBondContact N-O 2.94Å; L233-V447 HydrophobicContact CB-CG1 4.12Å
234	V	98.1	Very high	94.1	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.115	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.8	174.1	-179.8	0	0	0	0	106.2	I232 L424 V447 I448 Q449	I232-V234 WeakPolarHBondContact CG2-O 3.38Å; V234-L424 HydrophobicContact CG2-CD2 3.79Å; V234-V447 HydrophobicContact CB-CB 4.14Å; V234-V447 HydrophobicContact CB-CG1 3.85Å; V234-V447 HydrophobicContact CG2-CG1 3.99Å; V234-V447 WeakPolarHBondContact O-CA 3.46Å; V234-I448 CarbonylContact C-O 3.59Å; V234-I448 PolarHBondContact O-N 3.45Å; V234-Q449 HydrophobicContact CG1-CB 4.37Å; V234-Q449 HydrophobicContact CG1-CG 4.17Å
235	N	98	Very high	94.2	Very high	61 Å²	61	44 Å²	44	33%	0.326	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	88.4	-175.3	-171.1	5.1	0	0	0	111.7	Q229 I232 S237	Q229-N235 PolarHBondContact NE2-ND2 2.72Å; I232-N235 HydrophobicContact CG2-CB 3.75Å; N235-S237 VanDerWaalsContact C-N 3.33Å; N235-S237 VanDerWaalsContact OD1-CB 3.3Å; N235-S237 WeakPolarHBondContact OD1-CB 3.48Å; N235-S237 PolarHBondContact OD1-N 3.13Å; N235-S237 PolarHBondContact OD1-OG 3.1Å
236	D	98.1	Very high	93.5	Very high	46 Å²	46	46.3 Å²	46.3	25%	0.246	27%	0.265	C	S	.	.			trans	-96.2	23.6	177.8	-57.9	-34.3	0	0	0	112.3	N238 M239 V240 I448 Q449 F450	D236-N238 PolarHBondContact O-N 3.1Å; D236-N238 VanDerWaalsContact O-N 3.14Å; D236-M239 HydrophobicContact CB-CB 4.33Å; D236-M239 HydrophobicContact CB-CG 4.24Å; D236-M239 WeakPolarHBondContact O-CA 3.33Å; D236-M239 WeakPolarHBondContact O-CB 3.46Å; D236-M239 PolarHBondContact O-N 3.47Å; D236-V240 PolarHBondContact O-N 2.72Å; D236-I448 WeakPolarHBondContact CB-O 3.36Å; D236-I448 PolarHBondContact N-O 3.04Å; D236-Q449 WeakPolarHBondContact OD2-CA 3.33Å; D236-F450 HydrophobicContact CB-CB 3.5Å; D236-F450 PolarHBondContact OD2-N 3.29Å
237	S	97.3	Very high	91.9	Very high	5 Å²	5	43 Å²	43	4%	0.035	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-33.1	-178.1	70.8	0	0	0	0	113.2	N193 N235 M239 V240 W241	N193-S237 WeakPolarHBondContact OD1-CB 3.37Å; N193-S237 PolarHBondContact OD1-OG 3.26Å; N235-S237 VanDerWaalsContact C-N 3.33Å; N235-S237 VanDerWaalsContact OD1-CB 3.3Å; N235-S237 WeakPolarHBondContact OD1-CB 3.48Å; N235-S237 PolarHBondContact OD1-N 3.13Å; N235-S237 PolarHBondContact OD1-OG 3.1Å; S237-M239 VanDerWaalsContact C-N 3.33Å; S237-M239 PolarHBondContact O-N 2.68Å; S237-V240 WeakPolarHBondContact O-CB 3.47Å; S237-V240 PolarHBondContact O-N 2.75Å; S237-W241 PolarHBondContact O-N 2.93Å
238	N	96.1	Very high	90.3	Very high	101 Å²	101	43.8 Å²	43.8	54%	0.54	24%	0.236	S	C	.	.	H	α-helix	trans	-64	-36	174	-74.2	-17.1	0	0	0	112.4	D236 V240 W241 L242	D236-N238 PolarHBondContact O-N 3.1Å; D236-N238 VanDerWaalsContact O-N 3.14Å; N238-V240 VanDerWaalsContact C-N 3.34Å; N238-W241 PolarHBondContact O-N 3.08Å; N238-L242 WeakPolarHBondContact O-CB 3.49Å; N238-L242 VanDerWaalsContact O-CG 3.25Å; N238-L242 WeakPolarHBondContact O-CG 3.29Å; N238-L242 PolarHBondContact O-N 3.14Å
239	M	96	Very high	88.3	Confident	76 Å²	76	52.9 Å²	52.9	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-66.3	-40.9	176.4	-61.4	-57	-65.3	0	0	110.6	D236 S237 L242 T243 F450	D236-M239 HydrophobicContact CB-CB 4.33Å; D236-M239 HydrophobicContact CB-CG 4.24Å; D236-M239 WeakPolarHBondContact O-CA 3.33Å; D236-M239 WeakPolarHBondContact O-CB 3.46Å; D236-M239 PolarHBondContact O-N 3.47Å; S237-M239 VanDerWaalsContact C-N 3.33Å; S237-M239 PolarHBondContact O-N 2.68Å; M239-L242 PolarHBondContact O-N 3.12Å; M239-L242 HydrophobicContact SD-CD1 4.41Å; M239-T243 PolarHBondContact O-N 2.91Å; M239-T243 PolarHBondContact O-OG1 2.85Å; M239-T243 VanDerWaalsContact O-OG1 3.08Å; M239-F450 HydrophobicContact CB-CB 4.14Å; M239-F450 HydrophobicContact CB-CD1 3.63Å; M239-F450 HydrophobicContact CB-CD2 4.39Å; M239-F450 HydrophobicContact CB-CE1 4.09Å; M239-F450 HydrophobicContact CB-CG 3.79Å; M239-F450 HydrophobicContact CE-CE1 4.38Å; M239-F450 HydrophobicContact CG-CD1 4.27Å
240	V	96.3	Very high	86	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-47	174.7	-169.6	0	0	0	0	111.2	F192 D236 S237 N238 L242 T243 L244 L374 L376 C411 F450	F192-V240 HydrophobicContact CE1-CB 4.46Å; F192-V240 HydrophobicContact CZ-CB 4.1Å; F192-V240 HydrophobicContact CZ-CG1 3.72Å; D236-V240 PolarHBondContact O-N 2.72Å; S237-V240 WeakPolarHBondContact O-CB 3.47Å; S237-V240 PolarHBondContact O-N 2.75Å; N238-V240 VanDerWaalsContact C-N 3.34Å; V240-L242 VanDerWaalsContact C-N 3.35Å; V240-L242 PolarHBondContact O-N 3.05Å; V240-T243 PolarHBondContact O-N 2.71Å; V240-L244 HydrophobicContact CG1-CD1 4.25Å; V240-L244 WeakPolarHBondContact O-CG 3.3Å; V240-L244 PolarHBondContact O-N 3.37Å; V240-L244 VanDerWaalsContact O-N 3.11Å; V240-L374 HydrophobicContact CG1-CD2 3.52Å; V240-L376 HydrophobicContact CG1-CD2 4.44Å; V240-C411 HydrophobicContact CG2-CB 3.91Å; V240-F450 HydrophobicContact CG2-CD2 4.12Å
241	W	95.6	Very high	83.5	Confident	18 Å²	18	59.5 Å²	59.5	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-46.7	175.6	176.1	-103.9	0	0	0	111.8	E185 L188 S189 F192 S237 N238 T243 L244 T245 L287	E185-W241 HydrophobicContact CG-CZ2 4Å; L188-W241 HydrophobicContact CB-CH2 4.05Å; L188-W241 HydrophobicContact CD2-CH2 4Å; L188-W241 HydrophobicContact CG-CH2 3.88Å; L188-W241 HydrophobicContact CG-CZ3 4.47Å; S189-W241 VanDerWaalsContact CB-CE2 3.46Å; F192-W241 HydrophobicContact CB-CE3 3.73Å; F192-W241 HydrophobicContact CB-CZ3 3.64Å; F192-W241 HydrophobicContact CD1-CB 4.06Å; F192-W241 HydrophobicContact CD1-CD2 4.26Å; F192-W241 AromaticContact CD1-CE3 3.51Å; F192-W241 HydrophobicContact CD1-CE3 3.51Å; F192-W241 HydrophobicContact CD1-CZ3 4.31Å; F192-W241 HydrophobicContact CD2-CE3 4.28Å; F192-W241 HydrophobicContact CE1-CB 3.86Å; F192-W241 HydrophobicContact CE1-CE3 4.19Å; F192-W241 AromaticContact CG-CE3 3.55Å; F192-W241 HydrophobicContact CG-CE3 3.55Å; F192-W241 AromaticContact CG-CZ3 3.92Å; F192-W241 HydrophobicContact CG-CZ3 3.92Å; S237-W241 PolarHBondContact O-N 2.93Å; N238-W241 PolarHBondContact O-N 3.08Å; W241-T243 PolarHBondContact O-N 2.88Å; W241-L244 PolarHBondContact O-N 2.81Å; W241-T245 HydrophobicContact CD2-CG2 3.85Å; W241-T245 VanDerWaalsContact CE2-CG2 3.42Å; W241-T245 HydrophobicContact CE3-CG2 4.23Å; W241-T245 HydrophobicContact CG-CG2 4.46Å; W241-T245 HydrophobicContact CH2-CG2 3.94Å; W241-T245 HydrophobicContact CZ2-CG2 3.49Å; W241-T245 VanDerWaalsContact CZ2-CG2 3.49Å; W241-T245 HydrophobicContact CZ3-CG2 4.28Å; W241-T245 WeakPolarHBondContact O-CB 3.25Å; W241-T245 WeakPolarHBondContact O-CG2 3.33Å; W241-T245 PolarHBondContact O-N 3.15Å; W241-T245 PolarHBondContact O-OG1 3.47Å; W241-L287 HydrophobicContact CH2-CD1 4.35Å; W241-L287 HydrophobicContact CH2-CD2 4.23Å; W241-L287 HydrophobicContact CZ3-CD1 3.69Å; W241-L287 HydrophobicContact CZ3-CD2 4.14Å
242	L	93	Very high	81.3	Confident	86 Å²	86	61.1 Å²	61.1	45%	0.45	33%	0.33	S	S	.	.	H	α-helix	trans	-61.4	-42.9	177.9	-73.4	172.9	0	0	0	111.5	N238 M239 V240 L244 T245 S246 L455	N238-L242 WeakPolarHBondContact O-CB 3.49Å; N238-L242 VanDerWaalsContact O-CG 3.25Å; N238-L242 WeakPolarHBondContact O-CG 3.29Å; N238-L242 PolarHBondContact O-N 3.14Å; M239-L242 PolarHBondContact O-N 3.12Å; M239-L242 HydrophobicContact SD-CD1 4.41Å; V240-L242 VanDerWaalsContact C-N 3.35Å; V240-L242 PolarHBondContact O-N 3.05Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 PolarHBondContact O-N 2.8Å; L242-T245 WeakPolarHBondContact CA-OG1 3.14Å; L242-T245 PolarHBondContact O-N 2.83Å; L242-T245 PolarHBondContact O-OG1 3.03Å; L242-S246 WeakPolarHBondContact O-CB 3.36Å; L242-S246 PolarHBondContact O-N 2.83Å; L242-S246 PolarHBondContact O-OG 2.94Å; L242-L455 HydrophobicContact CB-CD1 4.22Å
243	T	91.8	Very high	79	Confident	13 Å²	13	64.1 Å²	64.1	8%	0.08	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-41.1	175.8	-61.2	0	0	0	0	112.5	M239 V240 W241 S246 S247 P409 F450	M239-T243 PolarHBondContact O-N 2.91Å; M239-T243 PolarHBondContact O-OG1 2.85Å; M239-T243 VanDerWaalsContact O-OG1 3.08Å; V240-T243 PolarHBondContact O-N 2.71Å; W241-T243 PolarHBondContact O-N 2.88Å; T243-S246 PolarHBondContact O-OG 2.91Å; T243-S247 PolarHBondContact O-OG 2.84Å; T243-P409 HydrophobicContact CG2-CB 4.21Å; T243-P409 HydrophobicContact CG2-CG 4.45Å; T243-F450 WeakPolarHBondContact OG1-CZ 3.49Å
244	L	91.4	Very high	76.6	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-72.2	-32.8	179.4	-66.2	171.1	0	0	0	112.6	F192 V240 W241 L242 V261 L282 V288 L374	F192-L244 HydrophobicContact CD2-CD1 4.43Å; F192-L244 HydrophobicContact CE2-CD1 3.63Å; F192-L244 HydrophobicContact CZ-CD1 3.91Å; V240-L244 HydrophobicContact CG1-CD1 4.25Å; V240-L244 WeakPolarHBondContact O-CG 3.3Å; V240-L244 PolarHBondContact O-N 3.37Å; V240-L244 VanDerWaalsContact O-N 3.11Å; W241-L244 PolarHBondContact O-N 2.81Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 PolarHBondContact O-N 2.8Å; L244-V261 HydrophobicContact CD2-CG2 3.75Å; L244-L282 HydrophobicContact CD1-CD2 3.79Å; L244-V288 HydrophobicContact CD2-CG2 3.87Å; L244-L374 HydrophobicContact CD1-CD2 4.39Å; L244-L374 HydrophobicContact CD2-CD2 4Å; L244-L374 HydrophobicContact CG-CD2 4.21Å
245	T	88.4	Confident	74.2	Confident	15 Å²	15	74.2 Å²	74.2	9%	0.092	42%	0.419	C	S	.	.	H	α-helix	trans	-96.5	-26.3	-176	52.4	0	0	0	0	114.7	W241 L242 S247 R248 L287	W241-T245 HydrophobicContact CD2-CG2 3.85Å; W241-T245 VanDerWaalsContact CE2-CG2 3.42Å; W241-T245 HydrophobicContact CE3-CG2 4.23Å; W241-T245 HydrophobicContact CG-CG2 4.46Å; W241-T245 HydrophobicContact CH2-CG2 3.94Å; W241-T245 HydrophobicContact CZ2-CG2 3.49Å; W241-T245 VanDerWaalsContact CZ2-CG2 3.49Å; W241-T245 HydrophobicContact CZ3-CG2 4.28Å; W241-T245 WeakPolarHBondContact O-CB 3.25Å; W241-T245 WeakPolarHBondContact O-CG2 3.33Å; W241-T245 PolarHBondContact O-N 3.15Å; W241-T245 PolarHBondContact O-OG1 3.47Å; L242-T245 WeakPolarHBondContact CA-OG1 3.14Å; L242-T245 PolarHBondContact O-N 2.83Å; L242-T245 PolarHBondContact O-OG1 3.03Å; T245-S247 PolarHBondContact O-N 3.07Å; T245-S247 VanDerWaalsContact O-N 3.16Å; T245-R248 WeakPolarHBondContact O-CA 3.23Å; T245-R248 WeakPolarHBondContact O-CB 3.35Å; T245-R248 PolarHBondContact O-N 2.91Å; T245-L287 HydrophobicContact CG2-CD2 3.94Å
246	S	75.6	Confident	71.9	Confident	60 Å²	60	77.2 Å²	77.2	42%	0.42	43%	0.429	S	S	.	.	H	α-helix	trans	-61.9	-22.8	172	61.6	0	0	0	0	111.6	L242 T243 R248	L242-S246 WeakPolarHBondContact O-CB 3.36Å; L242-S246 PolarHBondContact O-N 2.83Å; L242-S246 PolarHBondContact O-OG 2.94Å; T243-S246 PolarHBondContact O-OG 2.91Å; S246-R248 PolarHBondContact O-N 2.85Å
247	S	57.7	Low	70.1	Confident	38 Å²	38	77.1 Å²	77.1	27%	0.266	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.8	170.3	-53.1	0	0	0	0	113.4	T243 T245	T243-S247 PolarHBondContact O-OG 2.84Å; T245-S247 PolarHBondContact O-N 3.07Å; T245-S247 VanDerWaalsContact O-N 3.16Å
248	R	54.5	Low	68.8	Low	92 Å²	92	77 Å²	77	35%	0.347	43%	0.429	S	S	.	.			trans	-110.6	110.6	176.2	-72.3	177.7	154.2	-155.7	-14.2	110.4	T245 S246 T257 S285 G286	T245-R248 WeakPolarHBondContact O-CA 3.23Å; T245-R248 WeakPolarHBondContact O-CB 3.35Å; T245-R248 PolarHBondContact O-N 2.91Å; S246-R248 PolarHBondContact O-N 2.85Å; R248-T257 HydrophobicContact CG-CG2 4.44Å; R248-S285 PolarHBondContact NH2-O 3.38Å; R248-G286 PolarHBondContact NE-O 3.44Å; R248-G286 VanDerWaalsContact NH2-CA 3.28Å; R248-G286 PolarHBondContact NH2-O 3.13Å
249	R	50.1	Low	68.3	Low	215 Å²	215	75 Å²	75	81%	0.811	42%	0.418	S	S	*	.			trans	-137.3	161.8	166.1	-85.8	-163	-176.3	178.4	5.6	111
250	P	43.6	Very low	68.3	Low	105 Å²	105	72.1 Å²	72.1	68%	0.682	40%	0.403	S	S	*	.			trans	-56.1	153.4	-152.3	-24	31.6	0	0	0	115.6	G252 S253	P250-G252 PolarHBondContact O-N 3.35Å; P250-S253 PolarHBondContact O-OG 2.93Å
251	E	40.9	Very low	68.4	Low	204 Å²	204	72 Å²	72	95%	0.953	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	131	174.5	-68.9	-176.1	157.9	0	0	111.9
252	G	48.8	Very low	68.5	Low	87 Å²	87	71.2 Å²	71.2	90%	0.897	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.3	-4.6	175.7	0	0	0	0	0	116.4	P250	P250-G252 PolarHBondContact O-N 3.35Å
253	S	48.7	Very low	68.8	Low	81 Å²	81	67.1 Å²	67.1	57%	0.566	38%	0.379	S	S	*	.	S	Bend	trans	-90.9	-5.9	-178.3	60.1	0	0	0	0	115.8	P250 Q255	P250-S253 PolarHBondContact O-OG 2.93Å; S253-Q255 VanDerWaalsContact C-N 3.33Å; S253-Q255 PolarHBondContact O-N 2.91Å
254	G	47.6	Very low	69.2	Low	78 Å²	78	66.5 Å²	66.5	80%	0.804	38%	0.375	S	S	*	.	S	Bend	trans	74.8	8	172.5	0	0	0	0	0	116.7
255	Q	47.9	Very low	69.5	Low	176 Å²	176	66.5 Å²	66.5	82%	0.822	38%	0.375	S	S	*	.			trans	-140.9	151.7	174.2	-109.2	157.2	-14.3	0	0	113.6	S253	S253-Q255 VanDerWaalsContact C-N 3.33Å; S253-Q255 PolarHBondContact O-N 2.91Å
256	K	50.9	Low	70	Confident	123 Å²	123	66.1 Å²	66.1	54%	0.535	37%	0.372	S	S	.	.			trans	-101.1	159.4	-134.9	-63.1	172	174.8	178.1	0	115.9	D259	K256-D259 IonicContact NZ-OD1 2.8Å
257	T	59.4	Low	71	Confident	45 Å²	45	63.6 Å²	63.6	28%	0.276	35%	0.354	S	S	.	.	S	Bend	trans	-39.8	155.1	152.5	44.3	0	0	0	0	111.9	R248 D259 G286 R289	R248-T257 HydrophobicContact CG-CG2 4.44Å; T257-D259 PolarHBondContact O-N 3.03Å; T257-G286 VanDerWaalsContact CG2-O 3.28Å; T257-G286 WeakPolarHBondContact CG2-O 3.1Å; T257-R289 VanDerWaalsContact OG1-CD 3.26Å; T257-R289 WeakPolarHBondContact OG1-CD 3.48Å; T257-R289 VanDerWaalsContact OG1-CG 3.22Å; T257-R289 WeakPolarHBondContact OG1-CG 3.45Å
258	A	70.6	Confident	72.9	Confident	2 Å²	2	62.1 Å²	62.1	2%	0.017	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	119.5	175.3	0	0	0	0	0	108.6	L287 V288 R289 N373	A258-L287 WeakPolarHBondContact CB-O 3.12Å; A258-V288 HydrophobicContact CB-CG2 4.44Å; A258-V288 CarbonylContact O-C 3.43Å; A258-V288 VanDerWaalsContact O-CA 3.3Å; A258-V288 WeakPolarHBondContact O-CA 3.39Å; A258-R289 PolarHBondContact O-N 3.28Å; A258-N373 HydrophobicContact CB-CB 4.14Å
259	D	86.1	Confident	74.8	Confident	59 Å²	59	57.8 Å²	57.8	32%	0.316	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-41.2	-169.5	-156.9	54.1	0	0	0	108.9	K256 T257 R289 H290 N373	K256-D259 IonicContact NZ-OD1 2.8Å; T257-D259 PolarHBondContact O-N 3.03Å; D259-R289 WeakPolarHBondContact O-CB 3.38Å; D259-R289 WeakPolarHBondContact OD1-CD 3.48Å; D259-R289 IonicContact OD1-NE 3.79Å; D259-R289 PolarHBondContact OD1-NE 2.7Å; D259-H290 WeakPolarHBondContact O-CB 3.48Å; D259-H290 PolarHBondContact O-CD2 3.19Å; D259-H290 PolarHBondContact O-N 3.44Å; D259-N373 PolarHBondContact N-OD1 2.89Å
260	R	95.1	Very high	76.8	Confident	15 Å²	15	47.9 Å²	47.9	6%	0.057	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	131	-172.2	-179.7	176.5	158.5	-170.1	-5.9	113.2	D262 H290 H292 T368 E371 N373	R260-D262 VanDerWaalsContact CG-OD2 3.3Å; R260-D262 WeakPolarHBondContact CG-OD2 3.37Å; R260-D262 IonicContact CZ-OD1 3.82Å; R260-D262 IonicContact CZ-OD2 2.9Å; R260-D262 IonicContact NE-OD1 3.7Å; R260-D262 IonicContact NE-OD2 3.28Å; R260-D262 PolarHBondContact NE-OD2 2.87Å; R260-D262 IonicContact NH2-OD1 3.37Å; R260-D262 PolarHBondContact NH2-OD1 2.62Å; R260-D262 IonicContact NH2-OD2 3.11Å; R260-D262 PolarHBondContact NH2-OD2 3.41Å; R260-H290 VanDerWaalsContact CA-O 3.31Å; R260-H290 WeakPolarHBondContact CA-O 3.33Å; R260-H292 PolarHBondContact NE-CE1 3.41Å; R260-H292 PolarHBondContact NE-ND1 2.94Å; R260-H292 VanDerWaalsContact NE-ND1 3.15Å; R260-H292 PolarHBondContact NH2-ND1 2.76Å; R260-T368 VanDerWaalsContact CZ-O 3.31Å; R260-T368 PolarHBondContact NH1-O 2.84Å; R260-T368 VanDerWaalsContact NH2-CG2 3.27Å; R260-T368 PolarHBondContact NH2-O 3.28Å; R260-E371 IonicContact NH1-OE2 2.73Å; R260-E371 PolarHBondContact NH1-OE2 3.33Å; R260-N373 PolarHBondContact N-OD1 3.45Å; R260-N373 WeakPolarHBondContact O-CB 3.38Å; R260-N373 PolarHBondContact O-N 3.4Å; R260-N373 PolarHBondContact O-OD1 3.36Å
261	V	98.4	Very high	79.4	Confident	0 Å²	0	43 Å²	43	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.9	166.1	172.5	0	0	0	0	109.4	L244 I263 V288 H290 I291 H292 L374 L376	L244-V261 HydrophobicContact CD2-CG2 3.75Å; V261-I263 HydrophobicContact CG1-CG1 4.45Å; V261-V288 HydrophobicContact CB-CG1 4.03Å; V261-V288 HydrophobicContact CB-CG2 4.33Å; V261-V288 HydrophobicContact CG2-CB 4.27Å; V261-V288 HydrophobicContact CG2-CG1 3.74Å; V261-V288 HydrophobicContact CG2-CG2 3.46Å; V261-V288 VanDerWaalsContact CG2-CG2 3.46Å; V261-H290 PolarHBondContact N-O 3.14Å; V261-I291 HydrophobicContact CB-CD1 3.93Å; V261-I291 WeakPolarHBondContact O-CA 3.39Å; V261-H292 PolarHBondContact O-N 3.43Å; V261-L374 WeakPolarHBondContact CA-O 3.46Å; V261-L374 HydrophobicContact CG1-CD2 4.43Å; V261-L374 HydrophobicContact CG2-CB 4.16Å; V261-L376 HydrophobicContact CG1-CD1 4.41Å; V261-L376 HydrophobicContact CG1-CG 4.38Å
262	D	98.9	Very high	82.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.1	177.8	-73	-129.1	0	0	0	109.5	R260 H292 H294 L369 A372 L374 V375 L376	R260-D262 VanDerWaalsContact CG-OD2 3.3Å; R260-D262 WeakPolarHBondContact CG-OD2 3.37Å; R260-D262 IonicContact CZ-OD1 3.82Å; R260-D262 IonicContact CZ-OD2 2.9Å; R260-D262 IonicContact NE-OD1 3.7Å; R260-D262 IonicContact NE-OD2 3.28Å; R260-D262 PolarHBondContact NE-OD2 2.87Å; R260-D262 IonicContact NH2-OD1 3.37Å; R260-D262 PolarHBondContact NH2-OD1 2.62Å; R260-D262 IonicContact NH2-OD2 3.11Å; R260-D262 PolarHBondContact NH2-OD2 3.41Å; D262-H292 CarbonylContact C-O 3.59Å; D262-H292 VanDerWaalsContact CA-O 3.25Å; D262-H292 WeakPolarHBondContact CA-O 3.32Å; D262-H294 IonicContact OD1-CD2 3Å; D262-H294 IonicContact OD1-CE1 2.76Å; D262-H294 IonicContact OD1-NE2 2.88Å; D262-H294 PolarHBondContact OD1-NE2 3.46Å; D262-L369 HydrophobicContact CB-CD2 4.41Å; D262-A372 HydrophobicContact CB-CB 4.26Å; D262-A372 WeakPolarHBondContact OD2-CB 3.37Å; D262-L374 PolarHBondContact N-O 2.6Å; D262-V375 HydrophobicContact CB-CB 4.46Å; D262-V375 HydrophobicContact CB-CG1 4.07Å; D262-V375 HydrophobicContact CB-CG2 4.23Å; D262-V375 CarbonylContact O-C 3.21Å; D262-V375 WeakPolarHBondContact O-CA 3.42Å; D262-L376 PolarHBondContact O-N 3.44Å
263	I	98.9	Very high	84.4	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	107.8	175.9	-53.1	-178.1	0	0	0	108	V261 L265 A279 I291 H292 F293 H294 L376 K378	V261-I263 HydrophobicContact CG1-CG1 4.45Å; I263-L265 HydrophobicContact CG2-CD2 3.89Å; I263-L265 PolarHBondContact O-N 2.87Å; I263-A279 HydrophobicContact CD1-CB 4.2Å; I263-I291 HydrophobicContact CD1-CG2 3.99Å; I263-I291 HydrophobicContact CG1-CG2 4.23Å; I263-H292 PolarHBondContact N-O 2.99Å; I263-F293 HydrophobicContact CB-CD1 4.13Å; I263-F293 HydrophobicContact CD1-CD1 4.37Å; I263-F293 HydrophobicContact CD1-CE1 3.9Å; I263-F293 WeakPolarHBondContact O-CA 3.42Å; I263-H294 PolarHBondContact O-N 3.04Å; I263-L376 CarbonylContact C-O 3.56Å; I263-L376 WeakPolarHBondContact CA-O 3.49Å; I263-L376 HydrophobicContact CG1-CB 4.38Å; I263-L376 HydrophobicContact CG1-CD1 4.36Å; I263-K378 HydrophobicContact CG2-CG 4.09Å
264	V	98.9	Very high	86.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	104.6	172.5	-173.5	0	0	0	0	108.1	H294 W349 V375 L376 F377 K378 N382	V264-H294 HydrophobicContact CG1-CB 4.5Å; V264-H294 HydrophobicContact CG2-CB 4.25Å; V264-W349 HydrophobicContact CB-CH2 4.44Å; V264-W349 HydrophobicContact CG1-CD2 4.32Å; V264-W349 HydrophobicContact CG1-CE3 3.9Å; V264-W349 HydrophobicContact CG1-CH2 3.9Å; V264-W349 HydrophobicContact CG1-CZ2 4.3Å; V264-W349 HydrophobicContact CG1-CZ3 3.69Å; V264-W349 HydrophobicContact CG2-CH2 3.62Å; V264-W349 HydrophobicContact CG2-CZ2 3.97Å; V264-W349 HydrophobicContact CG2-CZ3 4.21Å; V264-V375 HydrophobicContact CG2-CG1 3.93Å; V264-L376 PolarHBondContact N-O 3.41Å; V264-F377 HydrophobicContact CB-CD1 3.71Å; V264-F377 HydrophobicContact CB-CE1 4Å; V264-F377 HydrophobicContact CB-CG 4.44Å; V264-F377 HydrophobicContact CG1-CD1 4.03Å; V264-F377 HydrophobicContact CG1-CE1 4.22Å; V264-F377 HydrophobicContact CG2-CD1 3.82Å; V264-F377 HydrophobicContact CG2-CE1 3.6Å; V264-F377 HydrophobicContact CG2-CZ 4.15Å; V264-K378 WeakPolarHBondContact O-CB 3.3Å; V264-K378 PolarHBondContact O-N 3.24Å; V264-N382 PolarHBondContact O-ND2 3.41Å
265	L	98.9	Very high	89.2	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.			trans	-73.6	153	-168.8	-65.4	170.4	0	0	0	112.3	I263 L272 D275 F293 H294 K296 V305 F310 Y343 N382	I263-L265 HydrophobicContact CG2-CD2 3.89Å; I263-L265 PolarHBondContact O-N 2.87Å; L265-L272 HydrophobicContact CD1-CD1 4.11Å; L265-L272 HydrophobicContact CD2-CD1 4.06Å; L265-D275 HydrophobicContact CD2-CB 4.09Å; L265-F293 HydrophobicContact CD1-CB 4.04Å; L265-F293 HydrophobicContact CD1-CD1 4.31Å; L265-F293 HydrophobicContact CD2-CD1 4.15Å; L265-F293 HydrophobicContact CG-CD1 4.45Å; L265-H294 WeakPolarHBondContact CB-O 3.36Å; L265-H294 PolarHBondContact N-O 2.8Å; L265-K296 PolarHBondContact O-NZ 3.48Å; L265-V305 HydrophobicContact CB-CB 4.22Å; L265-V305 HydrophobicContact CB-CG2 4.26Å; L265-V305 HydrophobicContact CD1-CB 4.12Å; L265-V305 HydrophobicContact CD1-CG1 3.9Å; L265-V305 HydrophobicContact CD1-CG2 4.38Å; L265-F310 HydrophobicContact CD1-CD2 4.08Å; L265-F310 HydrophobicContact CD1-CE2 4.4Å; L265-Y343 HydrophobicContact CD1-CE2 4.3Å; L265-N382 PolarHBondContact O-ND2 3.04Å
266	D	98.1	Very high	91.7	Very high	8 Å²	8	13.3 Å²	13.3	4%	0.043	7%	0.067	C	C	.	.			trans	-109.5	-105.5	170.4	-161.7	30.1	0	0	0	107.9	N203 D304 V305 K378 G379	N203-D266 PolarHBondContact ND2-OD2 3.4Å; D266-D304 CarbonylContact O-C 3.43Å; D266-D304 WeakPolarHBondContact O-CA 3.37Å; D266-V305 PolarHBondContact O-N 3.1Å; D266-K378 HydrophobicContact CB-CB 3.76Å; D266-G379 WeakPolarHBondContact OD2-CA 3.18Å
267	N	97.4	Very high	93.9	Very high	7 Å²	7	7.5 Å²	7.5	4%	0.037	4%	0.042	C	C	.	.	B	Isolated β-bridge	trans	-87.2	148.3	-171.2	-57.9	-60.4	0	0	0	115.6	N203 E271 L272 S303 V305	N203-N267 PolarHBondContact OD1-ND2 3.03Å; N267-E271 HydrophobicContact CB-CB 4.16Å; N267-E271 WeakPolarHBondContact CB-OE2 3.36Å; N267-E271 PolarHBondContact ND2-OE2 3.17Å; N267-L272 PolarHBondContact O-N 2.67Å; N267-L272 VanDerWaalsContact O-N 3.14Å; N267-S303 CarbonylContact C-O 3.39Å; N267-S303 WeakPolarHBondContact CA-O 3.29Å; N267-S303 VanDerWaalsContact OD1-CB 3.25Å; N267-S303 WeakPolarHBondContact OD1-CB 3.29Å; N267-S303 PolarHBondContact OD1-OG 3.28Å; N267-V305 WeakPolarHBondContact O-CG2 3.4Å
268	A	96.4	Very high	95.8	Very high	7 Å²	7	5.5 Å²	5.5	6%	0.058	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-171.2	164.2	0	0	0	0	0	111.6	K155 S303 V305 D309	K155-A268 HydrophobicContact CB-CB 4.16Å; K155-A268 HydrophobicContact CD-CB 3.88Å; K155-A268 HydrophobicContact CG-CB 4.08Å; A268-S303 WeakPolarHBondContact CB-O 3.14Å; A268-S303 PolarHBondContact N-O 2.85Å; A268-V305 HydrophobicContact CB-CG2 4.13Å; A268-D309 HydrophobicContact CB-CB 4.03Å
269	G	94	Very high	97.2	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.01	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	-133.5	-179.2	0	0	0	0	0	111.9	V273	G269-V273 PolarHBondContact O-N 3.13Å
270	F	93.9	Very high	97.8	Very high	6 Å²	6	2.6 Å²	2.6	3%	0.026	1%	0.014	C	C	.	.	H	α-helix	trans	-66.4	-38.7	-175.7	-176.6	-112	0	0	0	113.1	A165 V166 Q217 P221 L272 V273 T274	A165-F270 HydrophobicContact CB-CD2 4.11Å; A165-F270 HydrophobicContact CB-CE2 3.55Å; A165-F270 HydrophobicContact CB-CZ 3.96Å; V166-F270 HydrophobicContact CG2-CD2 3.82Å; V166-F270 HydrophobicContact CG2-CE2 4.25Å; Q217-F270 HydrophobicContact CB-CD1 4.36Å; Q217-F270 HydrophobicContact CB-CE1 4.37Å; Q217-F270 HydrophobicContact CG-CE1 4.4Å; P221-F270 HydrophobicContact CB-CZ 4.16Å; P221-F270 HydrophobicContact CG-CE1 4.28Å; P221-F270 HydrophobicContact CG-CE2 4.18Å; P221-F270 HydrophobicContact CG-CZ 3.43Å; P221-F270 VanDerWaalsContact CG-CZ 3.43Å; F270-L272 PolarHBondContact O-N 3.31Å; F270-V273 WeakPolarHBondContact O-CB 3.4Å; F270-V273 PolarHBondContact O-N 3.24Å; F270-V273 VanDerWaalsContact O-N 3.13Å; F270-T274 HydrophobicContact CD1-CG2 4.1Å; F270-T274 HydrophobicContact CE1-CG2 3.58Å; F270-T274 HydrophobicContact CE2-CG2 4.16Å; F270-T274 HydrophobicContact CZ-CG2 3.57Å; F270-T274 WeakPolarHBondContact O-CG2 3.3Å; F270-T274 PolarHBondContact O-N 3.33Å
271	E	96.5	Very high	97.9	Very high	4 Å²	4	1.9 Å²	1.9	2%	0.019	1%	0.011	C	C	.	.	H	α-helix	trans	-60	-49.3	-179.5	-178.8	170.7	-174.8	0	0	111.6	N203 N267 V273 T274 D275 K378	N203-E271 WeakPolarHBondContact CA-OE2 3.48Å; N203-E271 VanDerWaalsContact CB-OE2 3.29Å; N203-E271 WeakPolarHBondContact CB-OE2 3.38Å; N203-E271 PolarHBondContact OD1-OE2 3.44Å; N267-E271 HydrophobicContact CB-CB 4.16Å; N267-E271 WeakPolarHBondContact CB-OE2 3.36Å; N267-E271 PolarHBondContact ND2-OE2 3.17Å; E271-V273 VanDerWaalsContact C-N 3.26Å; E271-V273 PolarHBondContact O-N 3.29Å; E271-T274 WeakPolarHBondContact O-CA 3.41Å; E271-T274 WeakPolarHBondContact O-CB 3.34Å; E271-T274 PolarHBondContact O-N 3.14Å; E271-T274 PolarHBondContact O-OG1 3.45Å; E271-D275 PolarHBondContact O-N 2.85Å; E271-D275 VanDerWaalsContact O-N 3.09Å; E271-K378 IonicContact OE1-NZ 2.86Å; E271-K378 PolarHBondContact OE1-NZ 3.25Å
272	L	98.4	Very high	97.9	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-54.3	-42.8	174.5	174.4	60.6	0	0	0	112.1	L265 N267 F270 T274 D275 L276 V305 F310 T313	L265-L272 HydrophobicContact CD1-CD1 4.11Å; L265-L272 HydrophobicContact CD2-CD1 4.06Å; N267-L272 PolarHBondContact O-N 2.67Å; N267-L272 VanDerWaalsContact O-N 3.14Å; F270-L272 PolarHBondContact O-N 3.31Å; L272-T274 VanDerWaalsContact C-N 3.29Å; L272-T274 PolarHBondContact O-N 2.93Å; L272-D275 PolarHBondContact O-N 3.43Å; L272-D275 VanDerWaalsContact O-N 3.12Å; L272-L276 HydrophobicContact CD1-CD1 4.31Å; L272-L276 HydrophobicContact CD1-CD2 4.2Å; L272-L276 HydrophobicContact CD1-CG 4.02Å; L272-L276 HydrophobicContact CG-CD1 4.13Å; L272-L276 HydrophobicContact CG-CG 4.28Å; L272-L276 VanDerWaalsContact O-CG 3.3Å; L272-L276 WeakPolarHBondContact O-CG 3.25Å; L272-L276 PolarHBondContact O-N 3.47Å; L272-V305 HydrophobicContact CB-CG2 4.12Å; L272-V305 HydrophobicContact CD1-CG1 4.46Å; L272-V305 HydrophobicContact CD1-CG2 4.22Å; L272-V305 HydrophobicContact CD2-CG1 4.11Å; L272-V305 HydrophobicContact CD2-CG2 4.13Å; L272-V305 HydrophobicContact CG-CG2 4.38Å; L272-F310 HydrophobicContact CD1-CD2 3.85Å; L272-F310 HydrophobicContact CD1-CE2 4.22Å; L272-F310 HydrophobicContact CD2-CD2 4.46Å; L272-T313 HydrophobicContact CD2-CG2 4Å; L272-T313 HydrophobicContact CG-CG2 4.32Å
273	V	98.2	Very high	97.8	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-60.2	-40	176.4	173.1	0	0	0	0	111.7	F159 V166 G269 F270 E271 D275 L276 V277 T313 W332	F159-V273 HydrophobicContact CD2-CG2 4.1Å; F159-V273 HydrophobicContact CE2-CG2 3.82Å; V166-V273 HydrophobicContact CB-CG1 4.4Å; V166-V273 HydrophobicContact CG1-CG1 3.89Å; V166-V273 HydrophobicContact CG2-CB 4.31Å; V166-V273 HydrophobicContact CG2-CG1 4.02Å; V166-V273 HydrophobicContact CG2-CG2 4.12Å; G269-V273 PolarHBondContact O-N 3.13Å; F270-V273 WeakPolarHBondContact O-CB 3.4Å; F270-V273 PolarHBondContact O-N 3.24Å; F270-V273 VanDerWaalsContact O-N 3.13Å; E271-V273 VanDerWaalsContact C-N 3.26Å; E271-V273 PolarHBondContact O-N 3.29Å; V273-D275 VanDerWaalsContact C-N 3.27Å; V273-D275 PolarHBondContact O-N 3.26Å; V273-L276 PolarHBondContact O-N 3.07Å; V273-V277 HydrophobicContact CG1-CG2 4.35Å; V273-V277 WeakPolarHBondContact O-CB 3.47Å; V273-V277 VanDerWaalsContact O-CG2 3.32Å; V273-V277 WeakPolarHBondContact O-CG2 3.05Å; V273-V277 PolarHBondContact O-N 3.11Å; V273-T313 HydrophobicContact CG2-CG2 3.79Å; V273-W332 HydrophobicContact CG1-CH2 4.3Å
274	T	98.1	Very high	97.7	Very high	2 Å²	2	4.8 Å²	4.8	1%	0.012	3%	0.03	C	C	.	.	H	α-helix	trans	-62.7	-36.1	176.6	66.7	0	0	0	0	112.4	L169 V198 S199 F270 E271 L272 L278	L169-T274 HydrophobicContact CD2-CG2 3.96Å; V198-T274 HydrophobicContact CG1-CG2 3.57Å; S199-T274 WeakPolarHBondContact CA-OG1 3.27Å; F270-T274 HydrophobicContact CD1-CG2 4.1Å; F270-T274 HydrophobicContact CE1-CG2 3.58Å; F270-T274 HydrophobicContact CE2-CG2 4.16Å; F270-T274 HydrophobicContact CZ-CG2 3.57Å; F270-T274 WeakPolarHBondContact O-CG2 3.3Å; F270-T274 PolarHBondContact O-N 3.33Å; E271-T274 WeakPolarHBondContact O-CA 3.41Å; E271-T274 WeakPolarHBondContact O-CB 3.34Å; E271-T274 PolarHBondContact O-N 3.14Å; E271-T274 PolarHBondContact O-OG1 3.45Å; L272-T274 VanDerWaalsContact C-N 3.29Å; L272-T274 PolarHBondContact O-N 2.93Å; T274-L278 WeakPolarHBondContact O-CB 3.12Å; T274-L278 PolarHBondContact O-N 3.15Å
275	D	98.8	Very high	97.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-72.2	-41	177.6	-64.1	-29.1	0	0	0	111.9	S199 L265 E271 L272 V273 V277 L278 A279 K378	S199-D275 PolarHBondContact OG-OD1 2.61Å; L265-D275 HydrophobicContact CD2-CB 4.09Å; E271-D275 PolarHBondContact O-N 2.85Å; E271-D275 VanDerWaalsContact O-N 3.09Å; L272-D275 PolarHBondContact O-N 3.43Å; L272-D275 VanDerWaalsContact O-N 3.12Å; V273-D275 VanDerWaalsContact C-N 3.27Å; V273-D275 PolarHBondContact O-N 3.26Å; D275-V277 VanDerWaalsContact C-N 3.35Å; D275-V277 PolarHBondContact O-N 3.45Å; D275-L278 PolarHBondContact O-N 3.35Å; D275-A279 WeakPolarHBondContact O-CB 3.45Å; D275-A279 PolarHBondContact O-N 2.92Å; D275-K378 VanDerWaalsContact CG-NZ 3.26Å; D275-K378 WeakPolarHBondContact OD1-CD 3.47Å; D275-K378 WeakPolarHBondContact OD1-CE 3.46Å; D275-K378 IonicContact OD1-NZ 3Å; D275-K378 PolarHBondContact OD1-NZ 3.48Å; D275-K378 IonicContact OD2-NZ 3.05Å; D275-K378 PolarHBondContact OD2-NZ 3.07Å
276	L	98.9	Very high	97.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.4	-40.2	174.1	-62.7	177.5	0	0	0	111.6	L272 V273 A279 D280 F293 F310 T313 I314 W332 W341	L272-L276 HydrophobicContact CD1-CD1 4.31Å; L272-L276 HydrophobicContact CD1-CD2 4.2Å; L272-L276 HydrophobicContact CD1-CG 4.02Å; L272-L276 HydrophobicContact CG-CD1 4.13Å; L272-L276 HydrophobicContact CG-CG 4.28Å; L272-L276 VanDerWaalsContact O-CG 3.3Å; L272-L276 WeakPolarHBondContact O-CG 3.25Å; L272-L276 PolarHBondContact O-N 3.47Å; V273-L276 PolarHBondContact O-N 3.07Å; L276-A279 PolarHBondContact O-N 2.95Å; L276-D280 WeakPolarHBondContact O-CB 3.34Å; L276-D280 PolarHBondContact O-N 3.32Å; L276-F293 HydrophobicContact CD2-CE1 3.9Å; L276-F293 HydrophobicContact CD2-CE2 4.47Å; L276-F293 HydrophobicContact CD2-CZ 3.81Å; L276-F310 HydrophobicContact CD2-CD2 4.43Å; L276-F310 HydrophobicContact CD2-CE2 3.54Å; L276-F310 HydrophobicContact CD2-CZ 3.82Å; L276-T313 HydrophobicContact CD1-CG2 4.14Å; L276-I314 HydrophobicContact CD1-CG1 4.06Å; L276-W332 HydrophobicContact CB-CD2 4.18Å; L276-W332 HydrophobicContact CB-CE3 4.2Å; L276-W332 HydrophobicContact CB-CH2 3.96Å; L276-W332 HydrophobicContact CB-CZ2 3.94Å; L276-W332 HydrophobicContact CB-CZ3 4.09Å; L276-W332 HydrophobicContact CD1-CD2 4.42Å; L276-W332 HydrophobicContact CD1-CE3 3.73Å; L276-W332 HydrophobicContact CD1-CH2 4.31Å; L276-W332 HydrophobicContact CD1-CZ3 3.66Å; L276-W341 HydrophobicContact CB-CH2 4.16Å; L276-W341 HydrophobicContact CB-CZ3 4.36Å; L276-W341 HydrophobicContact CD2-CE3 4.41Å; L276-W341 HydrophobicContact CD2-CH2 4.21Å; L276-W341 HydrophobicContact CD2-CZ3 3.69Å; L276-W341 VanDerWaalsContact O-CH2 3.29Å; L276-W341 WeakPolarHBondContact O-CH2 3.36Å
277	V	98.8	Very high	96.9	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.006	5%	0.046	C	C	.	.	H	α-helix	trans	-66.1	-41.8	175.5	166.5	0	0	0	0	111.6	L169 L173 L195 V273 D275 D280 F281 W332	L169-V277 HydrophobicContact CD1-CG1 4Å; L169-V277 HydrophobicContact CD2-CB 4Å; L169-V277 HydrophobicContact CD2-CG1 4.14Å; L169-V277 HydrophobicContact CD2-CG2 3.88Å; L169-V277 HydrophobicContact CG-CB 4.16Å; L169-V277 HydrophobicContact CG-CG1 3.83Å; L169-V277 HydrophobicContact CG-CG2 3.92Å; L173-V277 HydrophobicContact CB-CG1 4.19Å; L173-V277 HydrophobicContact CD2-CG1 4.11Å; L173-V277 HydrophobicContact CD2-CG2 4.49Å; L195-V277 HydrophobicContact CD2-CG1 3.82Å; V273-V277 HydrophobicContact CG1-CG2 4.35Å; V273-V277 WeakPolarHBondContact O-CB 3.47Å; V273-V277 VanDerWaalsContact O-CG2 3.32Å; V273-V277 WeakPolarHBondContact O-CG2 3.05Å; V273-V277 PolarHBondContact O-N 3.11Å; D275-V277 VanDerWaalsContact C-N 3.35Å; D275-V277 PolarHBondContact O-N 3.45Å; V277-D280 PolarHBondContact O-N 3.14Å; V277-F281 PolarHBondContact O-N 3.46Å; V277-W332 HydrophobicContact CG2-CH2 4.27Å; V277-W332 HydrophobicContact CG2-CZ2 3.8Å
278	L	98.8	Very high	96.7	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-61.4	-47	174.6	175.3	61.7	0	0	0	110.6	L195 L196 T274 D275 D280 F281 L282 L376	L195-L278 HydrophobicContact CB-CD1 4.02Å; L196-L278 HydrophobicContact CD1-CD2 4Å; T274-L278 WeakPolarHBondContact O-CB 3.12Å; T274-L278 PolarHBondContact O-N 3.15Å; D275-L278 PolarHBondContact O-N 3.35Å; L278-D280 VanDerWaalsContact C-N 3.3Å; L278-D280 PolarHBondContact O-N 3.13Å; L278-F281 WeakPolarHBondContact O-CB 3.43Å; L278-F281 PolarHBondContact O-N 3.4Å; L278-L282 HydrophobicContact CD1-CG 4.39Å; L278-L282 HydrophobicContact CG-CD1 4.33Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.4Å; L278-L282 PolarHBondContact O-N 3.44Å; L278-L376 HydrophobicContact CD2-CD1 4.08Å
279	A	98.9	Very high	96.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.1	-40.2	176.7	0	0	0	0	0	112.4	I263 D275 L276 L282 V283 I291 F293 W341	I263-A279 HydrophobicContact CD1-CB 4.2Å; D275-A279 WeakPolarHBondContact O-CB 3.45Å; D275-A279 PolarHBondContact O-N 2.92Å; L276-A279 PolarHBondContact O-N 2.95Å; A279-L282 PolarHBondContact O-N 3.34Å; A279-V283 WeakPolarHBondContact O-CG2 3.41Å; A279-V283 PolarHBondContact O-N 3.31Å; A279-I291 HydrophobicContact CB-CG1 4.12Å; A279-I291 HydrophobicContact CB-CG2 4.03Å; A279-F293 HydrophobicContact CB-CE1 4.02Å; A279-F293 HydrophobicContact CB-CZ 3.53Å; A279-W341 HydrophobicContact CB-CH2 4.11Å; A279-W341 HydrophobicContact CB-CZ2 3.48Å; A279-W341 VanDerWaalsContact CB-CZ2 3.48Å
280	D	98.8	Very high	96.8	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-68.1	-43.3	179.7	-174.1	-20.8	0	0	0	109.8	L173 Q177 L276 V277 L278 L282 V283 S284 W332 Y335 W341	L173-D280 HydrophobicContact CD2-CB 3.82Å; L173-D280 WeakPolarHBondContact CD2-OD2 3.22Å; Q177-D280 PolarHBondContact NE2-OD1 2.79Å; L276-D280 WeakPolarHBondContact O-CB 3.34Å; L276-D280 PolarHBondContact O-N 3.32Å; V277-D280 PolarHBondContact O-N 3.14Å; L278-D280 VanDerWaalsContact C-N 3.3Å; L278-D280 PolarHBondContact O-N 3.13Å; D280-L282 VanDerWaalsContact C-N 3.34Å; D280-L282 PolarHBondContact O-N 3.02Å; D280-V283 PolarHBondContact O-N 2.86Å; D280-S284 VanDerWaalsContact O-CB 3.27Å; D280-S284 WeakPolarHBondContact O-CB 3.43Å; D280-S284 PolarHBondContact O-N 3.22Å; D280-S284 PolarHBondContact O-OG 3.12Å; D280-W332 PolarHBondContact OD2-NE1 3.42Å; D280-Y335 HydrophobicContact CB-CE2 4.41Å; D280-W341 HydrophobicContact CB-CH2 4.24Å; D280-W341 HydrophobicContact CB-CZ2 3.98Å
281	F	98.6	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.2	-44.6	171.8	173.6	-92.5	0	0	0	112.4	L173 V176 M180 L188 H191 F192 L195 V277 L278 V283 S284 S285 L287	L173-F281 HydrophobicContact CD1-CB 3.92Å; V176-F281 HydrophobicContact CG1-CD2 4.31Å; V176-F281 HydrophobicContact CG1-CE2 4.05Å; M180-F281 HydrophobicContact CE-CD2 3.78Å; M180-F281 HydrophobicContact CE-CE2 3.86Å; L188-F281 HydrophobicContact CD1-CE2 3.86Å; L188-F281 HydrophobicContact CD1-CZ 3.6Å; L188-F281 HydrophobicContact CG-CZ 4.15Å; H191-F281 HydrophobicContact CB-CE2 3.82Å; H191-F281 HydrophobicContact CB-CZ 4.05Å; F192-F281 HydrophobicContact CB-CE1 3.69Å; F192-F281 HydrophobicContact CB-CZ 4.09Å; F192-F281 HydrophobicContact CD2-CE1 4.2Å; F192-F281 HydrophobicContact CG-CE1 4.47Å; L195-F281 HydrophobicContact CD1-CB 3.39Å; L195-F281 HydrophobicContact CD1-CD1 4.05Å; L195-F281 HydrophobicContact CD1-CD2 3.61Å; L195-F281 HydrophobicContact CD1-CE2 4.41Å; L195-F281 HydrophobicContact CD1-CG 3.39Å; V277-F281 PolarHBondContact O-N 3.46Å; L278-F281 WeakPolarHBondContact O-CB 3.43Å; L278-F281 PolarHBondContact O-N 3.4Å; F281-V283 VanDerWaalsContact C-N 3.33Å; F281-V283 PolarHBondContact O-N 2.79Å; F281-S284 WeakPolarHBondContact CA-OG 3.35Å; F281-S284 PolarHBondContact O-OG 2.91Å; F281-S285 WeakPolarHBondContact O-CB 3.3Å; F281-S285 PolarHBondContact O-N 3.08Å; F281-S285 PolarHBondContact O-OG 2.76Å; F281-L287 HydrophobicContact CE1-CD1 3.98Å
282	L	97.9	Very high	97.2	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-60.9	-41.7	179.3	-71.6	175.4	0	0	0	112.2	F192 L244 L278 A279 D280 S285 L287 V288 I291	F192-L282 HydrophobicContact CD2-CD2 4.13Å; F192-L282 HydrophobicContact CE2-CD2 4.07Å; L244-L282 HydrophobicContact CD1-CD2 3.79Å; L278-L282 HydrophobicContact CD1-CG 4.39Å; L278-L282 HydrophobicContact CG-CD1 4.33Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.4Å; L278-L282 PolarHBondContact O-N 3.44Å; A279-L282 PolarHBondContact O-N 3.34Å; D280-L282 VanDerWaalsContact C-N 3.34Å; D280-L282 PolarHBondContact O-N 3.02Å; L282-S285 PolarHBondContact O-OG 3.49Å; L282-L287 HydrophobicContact CD2-CB 4.27Å; L282-L287 HydrophobicContact CD2-CD1 4.02Å; L282-L287 PolarHBondContact O-N 2.82Å; L282-V288 HydrophobicContact CB-CB 4.21Å; L282-V288 HydrophobicContact CB-CG2 3.92Å; L282-V288 HydrophobicContact CD1-CG2 4.34Å; L282-V288 HydrophobicContact CD2-CG2 4.27Å; L282-V288 HydrophobicContact CG-CG2 4.41Å; L282-V288 PolarHBondContact O-N 3.16Å; L282-V288 VanDerWaalsContact O-N 3.09Å; L282-I291 HydrophobicContact CB-CD1 4.37Å; L282-I291 HydrophobicContact CD1-CD1 4.26Å
283	V	97.3	Very high	97.2	Very high	20 Å²	20	14.7 Å²	14.7	12%	0.121	8%	0.079	C	C	.	.	H	α-helix	trans	-72.6	-52	177.3	172.3	0	0	0	0	111.4	A279 D280 F281 S285 G286 I291 Y335 I340	A279-V283 WeakPolarHBondContact O-CG2 3.41Å; A279-V283 PolarHBondContact O-N 3.31Å; D280-V283 PolarHBondContact O-N 2.86Å; F281-V283 VanDerWaalsContact C-N 3.33Å; F281-V283 PolarHBondContact O-N 2.79Å; V283-S285 VanDerWaalsContact C-N 3.29Å; V283-S285 PolarHBondContact O-N 2.92Å; V283-G286 WeakPolarHBondContact O-CA 3.44Å; V283-G286 PolarHBondContact O-N 2.98Å; V283-I291 HydrophobicContact CG2-CD1 4.43Å; V283-I291 HydrophobicContact CG2-CG1 3.77Å; V283-Y335 HydrophobicContact CB-CE2 4.4Å; V283-Y335 HydrophobicContact CG1-CD1 4.37Å; V283-Y335 HydrophobicContact CG1-CE1 3.68Å; V283-Y335 HydrophobicContact CG1-CE2 4.21Å; V283-I340 HydrophobicContact CB-CG2 4.46Å; V283-I340 HydrophobicContact CG1-CG2 3.7Å; V283-I340 HydrophobicContact CG2-CG2 3.89Å
284	S	96.1	Very high	97.2	Very high	40 Å²	40	14.8 Å²	14.8	28%	0.28	8%	0.079	S	C	.	.	H	α-helix	trans	-65.7	-30.1	-175.6	56.7	0	0	0	0	113.2	Q177 D280 F281 G286	Q177-S284 PolarHBondContact NE2-OG 3.49Å; D280-S284 VanDerWaalsContact O-CB 3.27Å; D280-S284 WeakPolarHBondContact O-CB 3.43Å; D280-S284 PolarHBondContact O-N 3.22Å; D280-S284 PolarHBondContact O-OG 3.12Å; F281-S284 WeakPolarHBondContact CA-OG 3.35Å; F281-S284 PolarHBondContact O-OG 2.91Å; S284-G286 PolarHBondContact O-N 2.79Å
285	S	94.2	Very high	97.3	Very high	13 Å²	13	14.7 Å²	14.7	9%	0.091	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-7.8	171	63.6	0	0	0	0	114	M180 R248 F281 L282 V283 L287	M180-S285 WeakPolarHBondContact SD-CA 3.23Å; M180-S285 PolarHBondContact SD-N 2.92Å; M180-S285 VanDerWaalsContact SD-N 3.36Å; R248-S285 PolarHBondContact NH2-O 3.38Å; F281-S285 WeakPolarHBondContact O-CB 3.3Å; F281-S285 PolarHBondContact O-N 3.08Å; F281-S285 PolarHBondContact O-OG 2.76Å; L282-S285 PolarHBondContact O-OG 3.49Å; V283-S285 VanDerWaalsContact C-N 3.29Å; V283-S285 PolarHBondContact O-N 2.92Å; S285-L287 PolarHBondContact O-N 2.96Å; S285-L287 VanDerWaalsContact OG-CD1 3.28Å; S285-L287 WeakPolarHBondContact OG-CD1 3.49Å; S285-L287 VanDerWaalsContact OG-CG 3.27Å; S285-L287 WeakPolarHBondContact OG-CG 3.22Å
286	G	92.2	Very high	97.3	Very high	27 Å²	27	14.8 Å²	14.8	28%	0.278	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	12.5	-174.9	0	0	0	0	0	113.9	R248 T257 V283 S284 V288	R248-G286 PolarHBondContact NE-O 3.44Å; R248-G286 VanDerWaalsContact NH2-CA 3.28Å; R248-G286 PolarHBondContact NH2-O 3.13Å; T257-G286 VanDerWaalsContact CG2-O 3.28Å; T257-G286 WeakPolarHBondContact CG2-O 3.1Å; V283-G286 WeakPolarHBondContact O-CA 3.44Å; V283-G286 PolarHBondContact O-N 2.98Å; S284-G286 PolarHBondContact O-N 2.79Å; G286-V288 PolarHBondContact O-N 3.21Å
287	L	91.9	Very high	97.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-64.3	-33.7	178.4	-72.6	168	0	0	0	110.2	W241 T245 A258 F281 L282 S285	W241-L287 HydrophobicContact CH2-CD1 4.35Å; W241-L287 HydrophobicContact CH2-CD2 4.23Å; W241-L287 HydrophobicContact CZ3-CD1 3.69Å; W241-L287 HydrophobicContact CZ3-CD2 4.14Å; T245-L287 HydrophobicContact CG2-CD2 3.94Å; A258-L287 WeakPolarHBondContact CB-O 3.12Å; F281-L287 HydrophobicContact CE1-CD1 3.98Å; L282-L287 HydrophobicContact CD2-CB 4.27Å; L282-L287 HydrophobicContact CD2-CD1 4.02Å; L282-L287 PolarHBondContact O-N 2.82Å; S285-L287 PolarHBondContact O-N 2.96Å; S285-L287 VanDerWaalsContact OG-CD1 3.28Å; S285-L287 WeakPolarHBondContact OG-CD1 3.49Å; S285-L287 VanDerWaalsContact OG-CG 3.27Å; S285-L287 WeakPolarHBondContact OG-CG 3.22Å
288	V	94.5	Very high	97.1	Very high	3 Å²	3	18 Å²	18	2%	0.018	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.9	-176.1	-173.7	0	0	0	0	110.9	L244 A258 V261 L282 G286 H290 I291	L244-V288 HydrophobicContact CD2-CG2 3.87Å; A258-V288 HydrophobicContact CB-CG2 4.44Å; A258-V288 CarbonylContact O-C 3.43Å; A258-V288 VanDerWaalsContact O-CA 3.3Å; A258-V288 WeakPolarHBondContact O-CA 3.39Å; V261-V288 HydrophobicContact CB-CG1 4.03Å; V261-V288 HydrophobicContact CB-CG2 4.33Å; V261-V288 HydrophobicContact CG2-CB 4.27Å; V261-V288 HydrophobicContact CG2-CG1 3.74Å; V261-V288 HydrophobicContact CG2-CG2 3.46Å; V261-V288 VanDerWaalsContact CG2-CG2 3.46Å; L282-V288 HydrophobicContact CB-CB 4.21Å; L282-V288 HydrophobicContact CB-CG2 3.92Å; L282-V288 HydrophobicContact CD1-CG2 4.34Å; L282-V288 HydrophobicContact CD2-CG2 4.27Å; L282-V288 HydrophobicContact CG-CG2 4.41Å; L282-V288 PolarHBondContact O-N 3.16Å; L282-V288 VanDerWaalsContact O-N 3.09Å; G286-V288 PolarHBondContact O-N 3.21Å; V288-H290 WeakPolarHBondContact CG1-O 3.36Å; V288-I291 HydrophobicContact CB-CD1 4.12Å; V288-I291 HydrophobicContact CG1-CD1 3.69Å
289	R	94.9	Very high	97.1	Very high	111 Å²	111	18.9 Å²	18.9	42%	0.419	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-41.7	176	-62.9	171.8	59.1	117.2	5.4	113.5	T257 A258 D259	T257-R289 VanDerWaalsContact OG1-CD 3.26Å; T257-R289 WeakPolarHBondContact OG1-CD 3.48Å; T257-R289 VanDerWaalsContact OG1-CG 3.22Å; T257-R289 WeakPolarHBondContact OG1-CG 3.45Å; A258-R289 PolarHBondContact O-N 3.28Å; D259-R289 WeakPolarHBondContact O-CB 3.38Å; D259-R289 WeakPolarHBondContact OD1-CD 3.48Å; D259-R289 IonicContact OD1-NE 3.79Å; D259-R289 PolarHBondContact OD1-NE 2.7Å
290	H	97.9	Very high	97.1	Very high	55 Å²	55	19 Å²	19	26%	0.255	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138	-176.8	-59.1	-80.7	0	0	0	111.7	D259 R260 V261 V288 G339 I340	D259-H290 WeakPolarHBondContact O-CB 3.48Å; D259-H290 PolarHBondContact O-CD2 3.19Å; D259-H290 PolarHBondContact O-N 3.44Å; R260-H290 VanDerWaalsContact CA-O 3.31Å; R260-H290 WeakPolarHBondContact CA-O 3.33Å; V261-H290 PolarHBondContact N-O 3.14Å; V288-H290 WeakPolarHBondContact CG1-O 3.36Å; H290-G339 PolarHBondContact ND1-O 3.33Å; H290-I340 CarbonylContact C-O 3.52Å; H290-I340 VanDerWaalsContact CA-O 3.23Å; H290-I340 WeakPolarHBondContact CA-O 3.37Å
291	I	98.8	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.1	172.2	-52.8	-67	0	0	0	109.2	V261 I263 A279 L282 V283 V288 F293 I340 W341 S342	V261-I291 HydrophobicContact CB-CD1 3.93Å; V261-I291 WeakPolarHBondContact O-CA 3.39Å; I263-I291 HydrophobicContact CD1-CG2 3.99Å; I263-I291 HydrophobicContact CG1-CG2 4.23Å; A279-I291 HydrophobicContact CB-CG1 4.12Å; A279-I291 HydrophobicContact CB-CG2 4.03Å; L282-I291 HydrophobicContact CB-CD1 4.37Å; L282-I291 HydrophobicContact CD1-CD1 4.26Å; V283-I291 HydrophobicContact CG2-CD1 4.43Å; V283-I291 HydrophobicContact CG2-CG1 3.77Å; V288-I291 HydrophobicContact CB-CD1 4.12Å; V288-I291 HydrophobicContact CG1-CD1 3.69Å; I291-F293 HydrophobicContact CB-CE2 4.11Å; I291-F293 HydrophobicContact CB-CZ 4.36Å; I291-F293 HydrophobicContact CG2-CD1 4.37Å; I291-F293 HydrophobicContact CG2-CD2 4.05Å; I291-F293 HydrophobicContact CG2-CE1 3.94Å; I291-F293 HydrophobicContact CG2-CE2 3.56Å; I291-F293 HydrophobicContact CG2-CG 4.45Å; I291-F293 HydrophobicContact CG2-CZ 3.52Å; I291-I340 PolarHBondContact N-O 3.46Å; I291-W341 HydrophobicContact CB-CG 4.28Å; I291-W341 CarbonylContact O-C 3.6Å; I291-W341 WeakPolarHBondContact O-CA 3.49Å; I291-S342 PolarHBondContact O-N 3.39Å
292	H	98.9	Very high	97	Very high	32 Å²	32	20.1 Å²	20.1	15%	0.148	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113	175.1	-77.1	-145.1	0	0	0	109.1	R260 V261 D262 I263 S342 H344	R260-H292 PolarHBondContact NE-CE1 3.41Å; R260-H292 PolarHBondContact NE-ND1 2.94Å; R260-H292 VanDerWaalsContact NE-ND1 3.15Å; R260-H292 PolarHBondContact NH2-ND1 2.76Å; V261-H292 PolarHBondContact O-N 3.43Å; D262-H292 CarbonylContact C-O 3.59Å; D262-H292 VanDerWaalsContact CA-O 3.25Å; D262-H292 WeakPolarHBondContact CA-O 3.32Å; I263-H292 PolarHBondContact N-O 2.99Å; H292-S342 PolarHBondContact CD2-OG 3.22Å; H292-S342 PolarHBondContact NE2-OG 3.39Å; H292-H344 AromaticContact CE1-NE2 3.75Å; H292-H344 AromaticContact CG-NE2 3.7Å; H292-H344 AromaticContact ND1-CD2 3.84Å; H292-H344 AromaticContact ND1-NE2 3.25Å; H292-H344 PolarHBondContact ND1-NE2 3.37Å
293	F	98.9	Very high	96.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.7	175.1	-60.7	-85.6	0	0	0	109.7	I263 L265 L276 A279 I291 F310 W341 S342 Y343 H344	I263-F293 HydrophobicContact CB-CD1 4.13Å; I263-F293 HydrophobicContact CD1-CD1 4.37Å; I263-F293 HydrophobicContact CD1-CE1 3.9Å; I263-F293 WeakPolarHBondContact O-CA 3.42Å; L265-F293 HydrophobicContact CD1-CB 4.04Å; L265-F293 HydrophobicContact CD1-CD1 4.31Å; L265-F293 HydrophobicContact CD2-CD1 4.15Å; L265-F293 HydrophobicContact CG-CD1 4.45Å; L276-F293 HydrophobicContact CD2-CE1 3.9Å; L276-F293 HydrophobicContact CD2-CE2 4.47Å; L276-F293 HydrophobicContact CD2-CZ 3.81Å; A279-F293 HydrophobicContact CB-CE1 4.02Å; A279-F293 HydrophobicContact CB-CZ 3.53Å; I291-F293 HydrophobicContact CB-CE2 4.11Å; I291-F293 HydrophobicContact CB-CZ 4.36Å; I291-F293 HydrophobicContact CG2-CD1 4.37Å; I291-F293 HydrophobicContact CG2-CD2 4.05Å; I291-F293 HydrophobicContact CG2-CE1 3.94Å; I291-F293 HydrophobicContact CG2-CE2 3.56Å; I291-F293 HydrophobicContact CG2-CG 4.45Å; I291-F293 HydrophobicContact CG2-CZ 3.52Å; F293-F310 HydrophobicContact CB-CE2 3.96Å; F293-F310 HydrophobicContact CB-CZ 4.37Å; F293-F310 AromaticContact CD1-CE2 3.93Å; F293-F310 HydrophobicContact CD1-CE2 3.93Å; F293-F310 AromaticContact CD2-CE2 3.85Å; F293-F310 HydrophobicContact CD2-CE2 3.85Å; F293-F310 AromaticContact CD2-CZ 3.64Å; F293-F310 HydrophobicContact CD2-CZ 3.64Å; F293-F310 HydrophobicContact CE1-CE2 4.35Å; F293-F310 HydrophobicContact CE2-CE2 4.29Å; F293-F310 AromaticContact CE2-CZ 3.96Å; F293-F310 HydrophobicContact CE2-CZ 3.96Å; F293-F310 AromaticContact CG-CE2 3.64Å; F293-F310 HydrophobicContact CG-CE2 3.64Å; F293-F310 AromaticContact CG-CZ 3.93Å; F293-F310 HydrophobicContact CG-CZ 3.93Å; F293-F310 HydrophobicContact CZ-CZ 4.5Å; F293-W341 HydrophobicContact CE2-CB 4Å; F293-W341 AromaticContact CE2-CD2 3.55Å; F293-W341 HydrophobicContact CE2-CD2 3.55Å; F293-W341 AromaticContact CE2-CE3 3.66Å; F293-W341 HydrophobicContact CE2-CE3 3.66Å; F293-W341 AromaticContact CE2-CG 3.72Å; F293-W341 HydrophobicContact CE2-CG 3.72Å; F293-W341 HydrophobicContact CE2-CZ3 4.32Å; F293-W341 AromaticContact CZ-CD2 3.94Å; F293-W341 HydrophobicContact CZ-CD2 3.94Å; F293-W341 AromaticContact CZ-CE3 3.97Å; F293-W341 HydrophobicContact CZ-CE3 3.97Å; F293-W341 HydrophobicContact CZ-CG 4.47Å; F293-W341 HydrophobicContact CZ-CH2 4.38Å; F293-W341 HydrophobicContact CZ-CZ2 4.37Å; F293-W341 HydrophobicContact CZ-CZ3 4.18Å; F293-S342 WeakPolarHBondContact CD2-O 3.44Å; F293-S342 PolarHBondContact N-O 3Å; F293-Y343 HydrophobicContact CB-CD2 4.17Å; F293-H344 PolarHBondContact O-N 2.97Å
294	H	98.9	Very high	96.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.4	175.6	-62.5	-98.1	0	0	0	109.9	D262 I263 V264 L265 H344 W349	D262-H294 IonicContact OD1-CD2 3Å; D262-H294 IonicContact OD1-CE1 2.76Å; D262-H294 IonicContact OD1-NE2 2.88Å; D262-H294 PolarHBondContact OD1-NE2 3.46Å; I263-H294 PolarHBondContact O-N 3.04Å; V264-H294 HydrophobicContact CG1-CB 4.5Å; V264-H294 HydrophobicContact CG2-CB 4.25Å; L265-H294 WeakPolarHBondContact CB-O 3.36Å; L265-H294 PolarHBondContact N-O 2.8Å; H294-H344 CarbonylContact C-O 3.48Å; H294-H344 VanDerWaalsContact CA-O 3.3Å; H294-H344 WeakPolarHBondContact CA-O 3.36Å; H294-W349 HydrophobicContact CB-CZ2 4.03Å; H294-W349 AromaticContact CG-CZ2 3.99Å; H294-W349 AromaticContact CG-NE1 3.97Å; H294-W349 AromaticContact ND1-CZ2 3.86Å; H294-W349 AromaticContact ND1-NE1 3.58Å
295	G	98.7	Very high	97	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-162.9	175.6	0	0	0	0	0	113.5	V305 Y343 H344	G295-V305 WeakPolarHBondContact CA-O 3.43Å; G295-Y343 VanDerWaalsContact CA-OH 3.24Å; G295-Y343 WeakPolarHBondContact CA-OH 3.18Å; G295-H344 PolarHBondContact N-O 3.12Å
296	K	98.7	Very high	97.3	Very high	3 Å²	3	17.2 Å²	17.2	1%	0.013	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-102	140.7	-170.3	-52.3	-49.9	-172.2	-49.9	0	111.1	L265 F298 W300 D304 V305 T306 W349 T350	L265-K296 PolarHBondContact O-NZ 3.48Å; K296-F298 VanDerWaalsContact C-N 3.27Å; K296-F298 PolarHBondContact O-N 3.34Å; K296-W300 HydrophobicContact CB-CB 3.95Å; K296-W300 HydrophobicContact CB-CG 4.47Å; K296-W300 HydrophobicContact CD-CG 4.47Å; K296-W300 HydrophobicContact CG-CB 3.93Å; K296-W300 HydrophobicContact CG-CG 4.15Å; K296-D304 WeakPolarHBondContact CE-OD2 3.27Å; K296-D304 HydrophobicContact CG-CB 3.67Å; K296-D304 IonicContact NZ-OD2 2.73Å; K296-D304 PolarHBondContact NZ-OD2 2.82Å; K296-V305 PolarHBondContact N-O 2.88Å; K296-T306 WeakPolarHBondContact O-CA 3.32Å; K296-W349 HydrophobicContact CD-CB 3.93Å; K296-T350 HydrophobicContact CB-CG2 3.64Å; K296-T350 HydrophobicContact CD-CG2 4.06Å; K296-T350 HydrophobicContact CG-CG2 4.25Å
297	C	97.4	Very high	97.6	Very high	49 Å²	49	17.5 Å²	17.5	33%	0.331	9%	0.091	S	C	.	.	S	Bend	trans	-69.9	-21.4	-177.6	-63	0	0	0	0	113.9	H346	C297-H346 PolarHBondContact SG-O 3.41Å
298	F	97.7	Very high	97.9	Very high	20 Å²	20	23.3 Å²	23.3	9%	0.088	12%	0.122	C	C	.	.	S	Bend	trans	-153.2	169.8	-179.5	61.2	-97.9	0	0	0	109.9	R133 Q136 K296 W300 T350	R133-F298 HydrophobicContact CB-CZ 4.43Å; Q136-F298 HydrophobicContact CB-CD2 3.71Å; Q136-F298 HydrophobicContact CB-CE2 3.84Å; Q136-F298 HydrophobicContact CB-CG 4.34Å; Q136-F298 HydrophobicContact CG-CB 4.17Å; Q136-F298 HydrophobicContact CG-CD1 4.4Å; Q136-F298 HydrophobicContact CG-CD2 3.76Å; Q136-F298 HydrophobicContact CG-CE2 4.21Å; Q136-F298 HydrophobicContact CG-CG 3.88Å; K296-F298 VanDerWaalsContact C-N 3.27Å; K296-F298 PolarHBondContact O-N 3.34Å; F298-W300 HydrophobicContact CD2-CE3 4.32Å; F298-W300 AromaticContact CE2-CE3 3.42Å; F298-W300 HydrophobicContact CE2-CE3 3.42Å; F298-W300 VanDerWaalsContact CE2-CE3 3.42Å; F298-W300 AromaticContact CE2-CZ3 3.68Å; F298-W300 HydrophobicContact CE2-CZ3 3.68Å; F298-W300 AromaticContact CZ-CE3 3.71Å; F298-W300 HydrophobicContact CZ-CE3 3.71Å; F298-W300 AromaticContact CZ-CZ3 3.61Å; F298-W300 HydrophobicContact CZ-CZ3 3.61Å; F298-W300 WeakPolarHBondContact O-CB 3.37Å; F298-W300 PolarHBondContact O-N 3.38Å; F298-W300 VanDerWaalsContact O-N 3.15Å; F298-T350 HydrophobicContact CD1-CG2 4.3Å; F298-T350 HydrophobicContact CE1-CG2 4.07Å; F298-T350 WeakPolarHBondContact CE1-OG1 3.31Å; F298-T350 HydrophobicContact CZ-CG2 4.29Å
299	P	98.4	Very high	98.1	Very high	20 Å²	20	23.3 Å²	23.3	13%	0.13	12%	0.122	C	C	.	.			trans	-54.4	120.3	-179.4	-25.5	35.3	0	0	0	111.9	D149 F151	D149-P299 HydrophobicContact CB-CG 3.8Å; D149-P299 VanDerWaalsContact CG-CG 3.41Å; D149-P299 WeakPolarHBondContact OD1-CB 3.48Å; F151-P299 HydrophobicContact CD2-CB 3.74Å; F151-P299 HydrophobicContact CE2-CB 4.18Å
300	W	98.5	Very high	98.3	Very high	1 Å²	1	18 Å²	18	0%	0.004	10%	0.102	C	C	.	.			trans	-137.4	139.6	-166.3	-169.1	-109.2	0	0	0	110	W100 C129 Y132 K296 F298 V302 D304 T350	W100-W300 HydrophobicContact CH2-CH2 4.21Å; W100-W300 HydrophobicContact CZ2-CH2 4.14Å; W100-W300 HydrophobicContact CZ2-CZ3 4.48Å; C129-W300 HydrophobicContact CB-CH2 3.61Å; C129-W300 HydrophobicContact CB-CZ2 3.84Å; C129-W300 WeakPolarHBondContact O-CH2 3.45Å; C129-W300 VanDerWaalsContact SG-CZ2 3.54Å; Y132-W300 HydrophobicContact CG-CE3 4.43Å; K296-W300 HydrophobicContact CB-CB 3.95Å; K296-W300 HydrophobicContact CB-CG 4.47Å; K296-W300 HydrophobicContact CD-CG 4.47Å; K296-W300 HydrophobicContact CG-CB 3.93Å; K296-W300 HydrophobicContact CG-CG 4.15Å; F298-W300 HydrophobicContact CD2-CE3 4.32Å; F298-W300 AromaticContact CE2-CE3 3.42Å; F298-W300 HydrophobicContact CE2-CE3 3.42Å; F298-W300 VanDerWaalsContact CE2-CE3 3.42Å; F298-W300 AromaticContact CE2-CZ3 3.68Å; F298-W300 HydrophobicContact CE2-CZ3 3.68Å; F298-W300 AromaticContact CZ-CE3 3.71Å; F298-W300 HydrophobicContact CZ-CE3 3.71Å; F298-W300 AromaticContact CZ-CZ3 3.61Å; F298-W300 HydrophobicContact CZ-CZ3 3.61Å; F298-W300 WeakPolarHBondContact O-CB 3.37Å; F298-W300 PolarHBondContact O-N 3.38Å; F298-W300 VanDerWaalsContact O-N 3.15Å; W300-V302 CarbonylContact O-C 3.56Å; W300-V302 PolarHBondContact O-N 3.05Å; W300-D304 HydrophobicContact CB-CB 4.1Å; W300-D304 VanDerWaalsContact O-CB 3.26Å; W300-D304 WeakPolarHBondContact O-CB 3.12Å; W300-D304 PolarHBondContact O-N 3.04Å; W300-D304 VanDerWaalsContact O-N 3.12Å; W300-T350 HydrophobicContact CB-CG2 4.32Å; W300-T350 HydrophobicContact CD2-CG2 3.92Å; W300-T350 HydrophobicContact CE3-CG2 4.14Å; W300-T350 HydrophobicContact CG-CG2 4.03Å; W300-T350 WeakPolarHBondContact CH2-O 3.46Å
301	F	97.8	Very high	98.3	Very high	11 Å²	11	18 Å²	18	5%	0.048	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	36.3	173.6	-81.7	-110.5	0	0	0	115.3	E128 Y132 S303 D304 L381	E128-F301 HydrophobicContact CB-CE1 4.41Å; E128-F301 HydrophobicContact CB-CZ 4.01Å; E128-F301 HydrophobicContact CG-CE1 3.58Å; E128-F301 HydrophobicContact CG-CZ 3.58Å; Y132-F301 AromaticContact CD2-CD2 3.43Å; Y132-F301 HydrophobicContact CD2-CD2 3.43Å; Y132-F301 VanDerWaalsContact CD2-CD2 3.43Å; Y132-F301 AromaticContact CD2-CE2 3.52Å; Y132-F301 HydrophobicContact CD2-CE2 3.52Å; Y132-F301 HydrophobicContact CD2-CG 4.01Å; Y132-F301 HydrophobicContact CD2-CZ 4.16Å; Y132-F301 HydrophobicContact CE2-CB 4.26Å; Y132-F301 AromaticContact CE2-CD1 3.9Å; Y132-F301 HydrophobicContact CE2-CD1 3.9Å; Y132-F301 AromaticContact CE2-CD2 3.56Å; Y132-F301 HydrophobicContact CE2-CD2 3.56Å; Y132-F301 HydrophobicContact CE2-CE1 4.12Å; Y132-F301 AromaticContact CE2-CE2 3.81Å; Y132-F301 HydrophobicContact CE2-CE2 3.81Å; Y132-F301 AromaticContact CE2-CG 3.64Å; Y132-F301 HydrophobicContact CE2-CG 3.64Å; Y132-F301 HydrophobicContact CE2-CZ 4.1Å; Y132-F301 HydrophobicContact CG-CD2 4.21Å; F301-S303 PolarHBondContact O-N 3.17Å; F301-D304 VanDerWaalsContact CB-OD1 3.3Å; F301-D304 WeakPolarHBondContact CB-OD1 3.2Å; F301-L381 HydrophobicContact CD1-CD2 3.93Å; F301-L381 HydrophobicContact CD2-CD2 3.7Å; F301-L381 HydrophobicContact CE1-CD1 3.87Å; F301-L381 HydrophobicContact CE1-CD2 3.97Å; F301-L381 HydrophobicContact CE1-CG 4.43Å; F301-L381 HydrophobicContact CE2-CD1 4.41Å; F301-L381 HydrophobicContact CE2-CD2 3.74Å; F301-L381 HydrophobicContact CG-CD2 3.78Å; F301-L381 HydrophobicContact CZ-CD1 3.78Å; F301-L381 HydrophobicContact CZ-CD2 3.87Å; F301-L381 HydrophobicContact CZ-CG 4.47Å
302	V	96.6	Very high	98.3	Very high	14 Å²	14	20.3 Å²	20.3	9%	0.085	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	-64.8	-174.4	-174.2	0	0	0	0	112.7	I40 Y132 F151 L207 W300	I40-V302 HydrophobicContact CD1-CG2 4.43Å; I40-V302 HydrophobicContact CG1-CG2 4.38Å; I40-V302 HydrophobicContact CG2-CG2 3.93Å; Y132-V302 HydrophobicContact CE1-CG2 4.18Å; F151-V302 HydrophobicContact CB-CG1 4.46Å; F151-V302 WeakPolarHBondContact CB-O 3.19Å; F151-V302 HydrophobicContact CD1-CB 4.27Å; F151-V302 HydrophobicContact CD1-CG1 4Å; F151-V302 HydrophobicContact CD1-CG2 4.28Å; F151-V302 HydrophobicContact CE1-CG2 4.08Å; F151-V302 HydrophobicContact CG-CB 4.5Å; F151-V302 HydrophobicContact CG-CG1 4.36Å; F151-V302 WeakPolarHBondContact CG-O 3.35Å; L207-V302 HydrophobicContact CB-CG1 4.39Å; W300-V302 CarbonylContact O-C 3.56Å; W300-V302 PolarHBondContact O-N 3.05Å
303	S	96.2	Very high	98.3	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.035	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-1.7	-167.7	35.2	0	0	0	0	114.8	N267 A268 F301	N267-S303 CarbonylContact C-O 3.39Å; N267-S303 WeakPolarHBondContact CA-O 3.29Å; N267-S303 VanDerWaalsContact OD1-CB 3.25Å; N267-S303 WeakPolarHBondContact OD1-CB 3.29Å; N267-S303 PolarHBondContact OD1-OG 3.28Å; A268-S303 WeakPolarHBondContact CB-O 3.14Å; A268-S303 PolarHBondContact N-O 2.85Å; F301-S303 PolarHBondContact O-N 3.17Å
304	D	98.4	Very high	98.3	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-62.6	145.9	-174.4	-74	38.7	0	0	0	113.5	D266 K296 W300 F301 T306	D266-D304 CarbonylContact O-C 3.43Å; D266-D304 WeakPolarHBondContact O-CA 3.37Å; K296-D304 WeakPolarHBondContact CE-OD2 3.27Å; K296-D304 HydrophobicContact CG-CB 3.67Å; K296-D304 IonicContact NZ-OD2 2.73Å; K296-D304 PolarHBondContact NZ-OD2 2.82Å; W300-D304 HydrophobicContact CB-CB 4.1Å; W300-D304 VanDerWaalsContact O-CB 3.26Å; W300-D304 WeakPolarHBondContact O-CB 3.12Å; W300-D304 PolarHBondContact O-N 3.04Å; W300-D304 VanDerWaalsContact O-N 3.12Å; F301-D304 VanDerWaalsContact CB-OD1 3.3Å; F301-D304 WeakPolarHBondContact CB-OD1 3.2Å; D304-T306 PolarHBondContact O-N 2.98Å
305	V	98.6	Very high	98.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-71.4	116.8	-178	-176.3	0	0	0	0	111.8	L265 D266 N267 A268 L272 G295 K296 D309 F310 Y343	L265-V305 HydrophobicContact CB-CB 4.22Å; L265-V305 HydrophobicContact CB-CG2 4.26Å; L265-V305 HydrophobicContact CD1-CB 4.12Å; L265-V305 HydrophobicContact CD1-CG1 3.9Å; L265-V305 HydrophobicContact CD1-CG2 4.38Å; D266-V305 PolarHBondContact O-N 3.1Å; N267-V305 WeakPolarHBondContact O-CG2 3.4Å; A268-V305 HydrophobicContact CB-CG2 4.13Å; L272-V305 HydrophobicContact CB-CG2 4.12Å; L272-V305 HydrophobicContact CD1-CG1 4.46Å; L272-V305 HydrophobicContact CD1-CG2 4.22Å; L272-V305 HydrophobicContact CD2-CG1 4.11Å; L272-V305 HydrophobicContact CD2-CG2 4.13Å; L272-V305 HydrophobicContact CG-CG2 4.38Å; G295-V305 WeakPolarHBondContact CA-O 3.43Å; K296-V305 PolarHBondContact N-O 2.88Å; V305-D309 HydrophobicContact CG1-CB 4.22Å; V305-F310 HydrophobicContact CG1-CB 3.9Å; V305-F310 HydrophobicContact CG1-CD2 4.44Å; V305-Y343 HydrophobicContact CG1-CE2 4.31Å; V305-Y343 PolarHBondContact O-OH 3.45Å
306	T	98.8	Very high	98.2	Very high	8 Å²	8	27.3 Å²	27.3	5%	0.049	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-93.6	171.6	161.5	72.3	0	0	0	0	111.2	K296 D304 N308 D309 F310	K296-T306 WeakPolarHBondContact O-CA 3.32Å; D304-T306 PolarHBondContact O-N 2.98Å; T306-N308 PolarHBondContact O-N 3.38Å; T306-N308 PolarHBondContact OG1-N 2.82Å; T306-D309 WeakPolarHBondContact CB-OD2 3.47Å; T306-D309 PolarHBondContact N-OD2 3.24Å; T306-D309 PolarHBondContact O-N 3.5Å; T306-D309 VanDerWaalsContact O-N 3.16Å; T306-D309 PolarHBondContact OG1-N 3.32Å; T306-D309 PolarHBondContact OG1-OD2 3.29Å; T306-F310 PolarHBondContact O-N 3.25Å
307	A	98.4	Very high	98.2	Very high	32 Å²	32	27.2 Å²	27.2	26%	0.264	14%	0.138	S	C	.	.	H	α-helix	trans	-56.8	-37.2	176	0	0	0	0	0	111.7	F310 Q311 Y343	A307-F310 PolarHBondContact O-N 3.18Å; A307-Q311 WeakPolarHBondContact O-CB 3.19Å; A307-Q311 VanDerWaalsContact O-CG 3.29Å; A307-Q311 WeakPolarHBondContact O-CG 3.48Å; A307-Q311 PolarHBondContact O-N 3.2Å; A307-Y343 HydrophobicContact CB-CD1 4.07Å; A307-Y343 HydrophobicContact CB-CE1 3.49Å; A307-Y343 VanDerWaalsContact CB-CE1 3.49Å; A307-Y343 PolarHBondContact N-OH 2.92Å
308	N	98.4	Very high	98.2	Very high	122 Å²	122	27 Å²	27	65%	0.652	13%	0.133	S	C	*	.	H	α-helix	trans	-65.5	-43.6	178.6	-73	-29.1	0	0	0	111.8	T306 W312	T306-N308 PolarHBondContact O-N 3.38Å; T306-N308 PolarHBondContact OG1-N 2.82Å; N308-W312 WeakPolarHBondContact O-CB 3.42Å; N308-W312 PolarHBondContact O-N 3.03Å
309	D	98.7	Very high	98.3	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-63.7	-45.9	177.8	-56.9	-66.1	0	0	0	111	K155 A268 V305 T306 Q311 W312 T313	K155-D309 WeakPolarHBondContact CD-OD1 3.28Å; K155-D309 WeakPolarHBondContact CE-OD1 3.31Å; K155-D309 IonicContact NZ-OD1 2.77Å; K155-D309 PolarHBondContact NZ-OD1 3.47Å; K155-D309 IonicContact NZ-OD2 3.09Å; K155-D309 PolarHBondContact NZ-OD2 3.27Å; A268-D309 HydrophobicContact CB-CB 4.03Å; V305-D309 HydrophobicContact CG1-CB 4.22Å; T306-D309 WeakPolarHBondContact CB-OD2 3.47Å; T306-D309 PolarHBondContact N-OD2 3.24Å; T306-D309 PolarHBondContact O-N 3.5Å; T306-D309 VanDerWaalsContact O-N 3.16Å; T306-D309 PolarHBondContact OG1-N 3.32Å; T306-D309 PolarHBondContact OG1-OD2 3.29Å; D309-Q311 PolarHBondContact O-N 2.91Å; D309-W312 PolarHBondContact O-N 3.44Å; D309-T313 WeakPolarHBondContact O-CB 3.24Å; D309-T313 PolarHBondContact O-N 3.41Å; D309-T313 PolarHBondContact O-OG1 2.85Å
310	F	98.8	Very high	98.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.2	-52.6	179.2	-173.2	-90	0	0	0	111.4	L265 L272 L276 F293 V305 T306 A307 T313 I314 L336 Y343	L265-F310 HydrophobicContact CD1-CD2 4.08Å; L265-F310 HydrophobicContact CD1-CE2 4.4Å; L272-F310 HydrophobicContact CD1-CD2 3.85Å; L272-F310 HydrophobicContact CD1-CE2 4.22Å; L272-F310 HydrophobicContact CD2-CD2 4.46Å; L276-F310 HydrophobicContact CD2-CD2 4.43Å; L276-F310 HydrophobicContact CD2-CE2 3.54Å; L276-F310 HydrophobicContact CD2-CZ 3.82Å; F293-F310 HydrophobicContact CB-CE2 3.96Å; F293-F310 HydrophobicContact CB-CZ 4.37Å; F293-F310 AromaticContact CD1-CE2 3.93Å; F293-F310 HydrophobicContact CD1-CE2 3.93Å; F293-F310 AromaticContact CD2-CE2 3.85Å; F293-F310 HydrophobicContact CD2-CE2 3.85Å; F293-F310 AromaticContact CD2-CZ 3.64Å; F293-F310 HydrophobicContact CD2-CZ 3.64Å; F293-F310 HydrophobicContact CE1-CE2 4.35Å; F293-F310 HydrophobicContact CE2-CE2 4.29Å; F293-F310 AromaticContact CE2-CZ 3.96Å; F293-F310 HydrophobicContact CE2-CZ 3.96Å; F293-F310 AromaticContact CG-CE2 3.64Å; F293-F310 HydrophobicContact CG-CE2 3.64Å; F293-F310 AromaticContact CG-CZ 3.93Å; F293-F310 HydrophobicContact CG-CZ 3.93Å; F293-F310 HydrophobicContact CZ-CZ 4.5Å; V305-F310 HydrophobicContact CG1-CB 3.9Å; V305-F310 HydrophobicContact CG1-CD2 4.44Å; T306-F310 PolarHBondContact O-N 3.25Å; A307-F310 PolarHBondContact O-N 3.18Å; F310-T313 PolarHBondContact O-N 3.44Å; F310-I314 HydrophobicContact CD1-CD1 3.88Å; F310-I314 HydrophobicContact CE1-CD1 3.42Å; F310-I314 VanDerWaalsContact CE1-CD1 3.42Å; F310-I314 HydrophobicContact CZ-CD1 3.94Å; F310-I314 WeakPolarHBondContact O-CG1 3.43Å; F310-I314 PolarHBondContact O-N 2.94Å; F310-L336 HydrophobicContact CE1-CD1 4.11Å; F310-L336 HydrophobicContact CE1-CD2 4.07Å; F310-Y343 HydrophobicContact CB-CD2 3.82Å; F310-Y343 HydrophobicContact CB-CE2 3.78Å; F310-Y343 AromaticContact CD1-CD2 3.85Å; F310-Y343 HydrophobicContact CD1-CD2 3.85Å; F310-Y343 HydrophobicContact CD1-CG 4.28Å; F310-Y343 AromaticContact CD2-CD2 3.64Å; F310-Y343 HydrophobicContact CD2-CD2 3.64Å; F310-Y343 HydrophobicContact CD2-CE2 4.05Å; F310-Y343 HydrophobicContact CE1-CD2 4.3Å; F310-Y343 HydrophobicContact CE2-CD2 4.11Å; F310-Y343 AromaticContact CG-CD2 3.49Å; F310-Y343 HydrophobicContact CG-CD2 3.49Å; F310-Y343 VanDerWaalsContact CG-CD2 3.49Å; F310-Y343 AromaticContact CG-CE2 3.94Å; F310-Y343 HydrophobicContact CG-CE2 3.94Å; F310-Y343 HydrophobicContact CG-CG 4.33Å; F310-Y343 HydrophobicContact CZ-CD2 4.43Å
311	Q	98.6	Very high	98.1	Very high	55 Å²	55	38.1 Å²	38.1	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-67.4	-37.3	179.2	-66	-62.2	-28.5	0	0	112.1	A307 D309 R315	A307-Q311 WeakPolarHBondContact O-CB 3.19Å; A307-Q311 VanDerWaalsContact O-CG 3.29Å; A307-Q311 WeakPolarHBondContact O-CG 3.48Å; A307-Q311 PolarHBondContact O-N 3.2Å; D309-Q311 PolarHBondContact O-N 2.91Å; Q311-R315 WeakPolarHBondContact O-CG 3.3Å; Q311-R315 PolarHBondContact O-N 3.31Å; Q311-R315 VanDerWaalsContact O-N 3.08Å
312	W	98.7	Very high	98.1	Very high	48 Å²	48	39.6 Å²	39.6	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-46.7	176.7	-178.4	95.9	0	0	0	111.4	T156 F159 F160 N308 D309 I314 R315 Q316	T156-W312 HydrophobicContact CG2-CD2 4.06Å; T156-W312 HydrophobicContact CG2-CE3 4.2Å; T156-W312 HydrophobicContact CG2-CH2 3.66Å; T156-W312 HydrophobicContact CG2-CZ2 3.46Å; T156-W312 VanDerWaalsContact CG2-CZ2 3.46Å; T156-W312 HydrophobicContact CG2-CZ3 4.02Å; F159-W312 HydrophobicContact CB-CH2 4.04Å; F159-W312 HydrophobicContact CB-CZ3 3.76Å; F159-W312 AromaticContact CD1-CH2 3.65Å; F159-W312 HydrophobicContact CD1-CH2 3.65Å; F159-W312 AromaticContact CD1-CZ3 3.72Å; F159-W312 HydrophobicContact CD1-CZ3 3.72Å; F159-W312 HydrophobicContact CD2-CZ3 4.38Å; F159-W312 HydrophobicContact CE1-CH2 4.4Å; F159-W312 HydrophobicContact CE1-CZ3 4.41Å; F159-W312 HydrophobicContact CG-CH2 4.04Å; F159-W312 AromaticContact CG-CZ3 3.69Å; F159-W312 HydrophobicContact CG-CZ3 3.69Å; F160-W312 HydrophobicContact CD2-CH2 4.42Å; F160-W312 AromaticContact CE2-CH2 3.79Å; F160-W312 HydrophobicContact CE2-CH2 3.79Å; F160-W312 AromaticContact CE2-CZ2 3.75Å; F160-W312 HydrophobicContact CE2-CZ2 3.75Å; F160-W312 AromaticContact CZ-CH2 3.9Å; F160-W312 HydrophobicContact CZ-CH2 3.9Å; F160-W312 AromaticContact CZ-CZ2 3.76Å; F160-W312 HydrophobicContact CZ-CZ2 3.76Å; N308-W312 WeakPolarHBondContact O-CB 3.42Å; N308-W312 PolarHBondContact O-N 3.03Å; D309-W312 PolarHBondContact O-N 3.44Å; W312-I314 PolarHBondContact O-N 2.93Å; W312-R315 PolarHBondContact O-N 2.78Å; W312-Q316 HydrophobicContact CD2-CG 3.67Å; W312-Q316 VanDerWaalsContact CE2-CG 3.44Å; W312-Q316 HydrophobicContact CE3-CG 3.87Å; W312-Q316 HydrophobicContact CG-CG 4.39Å; W312-Q316 HydrophobicContact CH2-CG 3.66Å; W312-Q316 HydrophobicContact CZ2-CG 3.45Å; W312-Q316 VanDerWaalsContact CZ2-CG 3.45Å; W312-Q316 HydrophobicContact CZ3-CG 3.86Å; W312-Q316 WeakPolarHBondContact O-CG 3.45Å; W312-Q316 PolarHBondContact O-N 3.33Å
313	T	98.7	Very high	98.2	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-42.6	179.2	-69	0	0	0	0	112.2	F159 L272 V273 L276 D309 F310 Q316 T317	F159-T313 HydrophobicContact CD2-CG2 4.3Å; F159-T313 HydrophobicContact CE2-CG2 4.03Å; L272-T313 HydrophobicContact CD2-CG2 4Å; L272-T313 HydrophobicContact CG-CG2 4.32Å; V273-T313 HydrophobicContact CG2-CG2 3.79Å; L276-T313 HydrophobicContact CD1-CG2 4.14Å; D309-T313 WeakPolarHBondContact O-CB 3.24Å; D309-T313 PolarHBondContact O-N 3.41Å; D309-T313 PolarHBondContact O-OG1 2.85Å; F310-T313 PolarHBondContact O-N 3.44Å; T313-Q316 PolarHBondContact O-N 3.07Å; T313-T317 WeakPolarHBondContact O-CB 3.3Å; T313-T317 PolarHBondContact O-N 3.19Å; T313-T317 PolarHBondContact O-OG1 3.2Å
314	I	98.8	Very high	98.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-46.9	176.1	-66.8	174.1	0	0	0	110.5	L276 F310 W312 Q316 T317 M318 W332 Q333 L336	L276-I314 HydrophobicContact CD1-CG1 4.06Å; F310-I314 HydrophobicContact CD1-CD1 3.88Å; F310-I314 HydrophobicContact CE1-CD1 3.42Å; F310-I314 VanDerWaalsContact CE1-CD1 3.42Å; F310-I314 HydrophobicContact CZ-CD1 3.94Å; F310-I314 WeakPolarHBondContact O-CG1 3.43Å; F310-I314 PolarHBondContact O-N 2.94Å; W312-I314 PolarHBondContact O-N 2.93Å; I314-Q316 PolarHBondContact O-N 3.47Å; I314-T317 PolarHBondContact O-N 3.01Å; I314-M318 WeakPolarHBondContact O-CB 3.47Å; I314-M318 PolarHBondContact O-N 3.38Å; I314-W332 HydrophobicContact CD1-CB 4.46Å; I314-W332 HydrophobicContact CG1-CB 4.44Å; I314-W332 HydrophobicContact CG1-CE3 4.21Å; I314-W332 HydrophobicContact CG2-CB 4.26Å; I314-Q333 HydrophobicContact CG2-CB 4.22Å; I314-L336 HydrophobicContact CD1-CD1 3.57Å
315	R	98.6	Very high	98.2	Very high	116 Å²	116	47.2 Å²	47.2	44%	0.438	24%	0.243	S	C	.	.	H	α-helix	trans	-59.7	-45.1	177.5	-74.5	-170.6	-60.7	-97.8	0.6	112.5	Q311 W312 T317 M318 A319	Q311-R315 WeakPolarHBondContact O-CG 3.3Å; Q311-R315 PolarHBondContact O-N 3.31Å; Q311-R315 VanDerWaalsContact O-N 3.08Å; W312-R315 PolarHBondContact O-N 2.78Å; R315-T317 VanDerWaalsContact C-N 3.34Å; R315-M318 PolarHBondContact O-N 2.93Å; R315-A319 VanDerWaalsContact O-CB 3.32Å; R315-A319 WeakPolarHBondContact O-CB 3.38Å; R315-A319 PolarHBondContact O-N 2.95Å
316	Q	98.4	Very high	98.2	Very high	62 Å²	62	48.5 Å²	48.5	29%	0.29	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-40.6	178	-66.2	-46.1	-51.4	0	0	111.9	F159 W312 T313 I314 M318 A319 A320	F159-Q316 HydrophobicContact CD1-CB 4.42Å; F159-Q316 HydrophobicContact CE1-CB 3.55Å; F159-Q316 HydrophobicContact CE1-CG 4.23Å; F159-Q316 HydrophobicContact CZ-CB 3.78Å; W312-Q316 HydrophobicContact CD2-CG 3.67Å; W312-Q316 VanDerWaalsContact CE2-CG 3.44Å; W312-Q316 HydrophobicContact CE3-CG 3.87Å; W312-Q316 HydrophobicContact CG-CG 4.39Å; W312-Q316 HydrophobicContact CH2-CG 3.66Å; W312-Q316 HydrophobicContact CZ2-CG 3.45Å; W312-Q316 VanDerWaalsContact CZ2-CG 3.45Å; W312-Q316 HydrophobicContact CZ3-CG 3.86Å; W312-Q316 WeakPolarHBondContact O-CG 3.45Å; W312-Q316 PolarHBondContact O-N 3.33Å; T313-Q316 PolarHBondContact O-N 3.07Å; I314-Q316 PolarHBondContact O-N 3.47Å; Q316-M318 VanDerWaalsContact C-N 3.35Å; Q316-A319 PolarHBondContact O-N 2.92Å; Q316-A320 PolarHBondContact O-N 3.24Å; Q316-A320 VanDerWaalsContact O-N 3.12Å
317	T	98.3	Very high	98.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-41	178.2	-55.3	0	0	0	0	111.1	T313 I314 R315 A320 M325 S326 W332	T313-T317 WeakPolarHBondContact O-CB 3.3Å; T313-T317 PolarHBondContact O-N 3.19Å; T313-T317 PolarHBondContact O-OG1 3.2Å; I314-T317 PolarHBondContact O-N 3.01Å; R315-T317 VanDerWaalsContact C-N 3.34Å; T317-A320 VanDerWaalsContact O-CB 3.31Å; T317-A320 WeakPolarHBondContact O-CB 3.26Å; T317-A320 PolarHBondContact O-N 3.12Å; T317-M325 HydrophobicContact CG2-CB 4.21Å; T317-M325 VanDerWaalsContact CG2-O 3.23Å; T317-M325 WeakPolarHBondContact CG2-O 3.33Å; T317-M325 CarbonylContact O-C 3.59Å; T317-M325 VanDerWaalsContact O-O 3.14Å; T317-S326 VanDerWaalsContact O-CA 3.31Å; T317-S326 WeakPolarHBondContact O-CA 3.43Å; T317-S326 PolarHBondContact O-N 3.11Å; T317-W332 HydrophobicContact CG2-CE3 4.22Å; T317-W332 HydrophobicContact CG2-CH2 3.93Å; T317-W332 HydrophobicContact CG2-CZ3 3.54Å
318	M	97.9	Very high	98.2	Very high	44 Å²	44	51.7 Å²	51.7	22%	0.217	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-41.3	175.7	-175.2	172.5	61.2	0	0	112.5	I314 R315 Q316 A320 S326 Y330 Q333	I314-M318 WeakPolarHBondContact O-CB 3.47Å; I314-M318 PolarHBondContact O-N 3.38Å; R315-M318 PolarHBondContact O-N 2.93Å; Q316-M318 VanDerWaalsContact C-N 3.35Å; M318-A320 VanDerWaalsContact C-N 3.27Å; M318-A320 PolarHBondContact O-N 3.15Å; M318-S326 WeakPolarHBondContact O-CB 3.48Å; M318-S326 PolarHBondContact O-OG 2.94Å; M318-Y330 HydrophobicContact CG-CD1 3.8Å; M318-Y330 HydrophobicContact CG-CD2 3.87Å; M318-Y330 HydrophobicContact CG-CE1 3.8Å; M318-Y330 HydrophobicContact CG-CE2 3.85Å; M318-Y330 HydrophobicContact CG-CG 3.83Å; M318-Y330 HydrophobicContact SD-CD1 3.56Å; M318-Y330 VanDerWaalsContact SD-CD1 3.56Å; M318-Y330 HydrophobicContact SD-CE1 3.62Å; M318-Y330 HydrophobicContact SD-CG 4.13Å; M318-Q333 HydrophobicContact SD-CB 4.37Å
319	A	97.8	Very high	98.2	Very high	78 Å²	78	45.9 Å²	45.9	65%	0.645	23%	0.229	S	C	*	.	H	α-helix	trans	-78	-5.4	-180	0	0	0	0	0	114.3	R315 Q316	R315-A319 VanDerWaalsContact O-CB 3.32Å; R315-A319 WeakPolarHBondContact O-CB 3.38Å; R315-A319 PolarHBondContact O-N 2.95Å; Q316-A319 PolarHBondContact O-N 2.92Å
320	A	97.5	Very high	98.2	Very high	20 Å²	20	52.7 Å²	52.7	17%	0.165	26%	0.256	C	S	.	.			trans	-64.6	137	-176.3	0	0	0	0	0	112.4	Q316 T317 M318 H322 M325 S326	Q316-A320 PolarHBondContact O-N 3.24Å; Q316-A320 VanDerWaalsContact O-N 3.12Å; T317-A320 VanDerWaalsContact O-CB 3.31Å; T317-A320 WeakPolarHBondContact O-CB 3.26Å; T317-A320 PolarHBondContact O-N 3.12Å; M318-A320 VanDerWaalsContact C-N 3.27Å; M318-A320 PolarHBondContact O-N 3.15Å; A320-H322 PolarHBondContact O-N 3.34Å; A320-M325 HydrophobicContact CB-CB 3.78Å; A320-M325 HydrophobicContact CB-CE 3.74Å; A320-M325 HydrophobicContact CB-SD 4.33Å; A320-S326 WeakPolarHBondContact O-CB 3.46Å
321	N	96.5	Very high	98.2	Very high	178 Å²	178	55.7 Å²	55.7	95%	0.952	27%	0.269	S	S	*	.	S	Bend	trans	-80.4	48.6	172.7	-167.3	20.6	0	0	0	112.2
322	H	97.8	Very high	98.2	Very high	41 Å²	41	53 Å²	53	19%	0.19	26%	0.257	C	S	.	.	S	Bend	trans	-139.4	124.1	175.5	174.2	-107	0	0	0	108.8	M167 T171 A320 W324 M325 S326	M167-H322 HydrophobicContact CE-CB 4.29Å; M167-H322 WeakPolarHBondContact CE-CD2 3.43Å; M167-H322 HydrophobicContact CG-CB 4.37Å; T171-H322 PolarHBondContact OG1-CE1 3.12Å; A320-H322 PolarHBondContact O-N 3.34Å; H322-W324 VanDerWaalsContact C-N 3.3Å; H322-W324 PolarHBondContact O-N 2.85Å; H322-W324 VanDerWaalsContact O-N 3.13Å; H322-M325 HydrophobicContact CB-CB 4.22Å; H322-M325 HydrophobicContact CB-CG 4.42Å; H322-M325 HydrophobicContact CB-SD 4.17Å; H322-M325 WeakPolarHBondContact ND1-CG 3.38Å; H322-M325 PolarHBondContact ND1-N 3.38Å; H322-M325 PolarHBondContact O-N 3.31Å; H322-M325 VanDerWaalsContact O-N 3.14Å; H322-S326 PolarHBondContact O-N 2.65Å
323	K	97.6	Very high	98.2	Very high	157 Å²	157	52.8 Å²	52.8	68%	0.683	26%	0.258	S	S	*	.	H	α-helix	trans	-46.6	-50.2	-170.6	176.2	178.7	176.9	174.7	0	113.2	K327	K323-K327 VanDerWaalsContact O-CB 3.3Å; K323-K327 WeakPolarHBondContact O-CB 3.46Å; K323-K327 PolarHBondContact O-N 3.37Å; K323-K327 VanDerWaalsContact O-N 3.12Å
324	W	97.8	Very high	98.2	Very high	24 Å²	24	54.2 Å²	54.2	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-79.4	-33.3	-174	-67	122.2	0	0	0	113.7	C170 T171 G174 K178 H322 K327 S328	C170-W324 HydrophobicContact CB-CB 4.08Å; T171-W324 VanDerWaalsContact OG1-CD1 3.31Å; G174-W324 VanDerWaalsContact C-CH2 3.46Å; G174-W324 WeakPolarHBondContact O-CH2 3.34Å; K178-W324 HydrophobicContact CD-CH2 4.1Å; K178-W324 HydrophobicContact CD-CZ2 4.44Å; K178-W324 VanDerWaalsContact CE-CH2 3.41Å; K178-W324 HydrophobicContact CG-CH2 4.37Å; K178-W324 VanDerWaalsContact NZ-CZ2 3.25Å; H322-W324 VanDerWaalsContact C-N 3.3Å; H322-W324 PolarHBondContact O-N 2.85Å; H322-W324 VanDerWaalsContact O-N 3.13Å; W324-K327 HydrophobicContact CE3-CD 3.93Å; W324-K327 HydrophobicContact CZ3-CD 3.79Å; W324-S328 WeakPolarHBondContact O-CB 3.06Å; W324-S328 PolarHBondContact O-N 3.33Å; W324-S328 PolarHBondContact O-OG 3.18Å; W324-S328 VanDerWaalsContact O-OG 3.13Å
325	M	97.8	Very high	98.2	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-50.9	174.8	-77.3	174.6	67	0	0	110.4	V166 M167 C170 T317 A320 H322 K327 S328 G329	V166-M325 HydrophobicContact CB-CE 4.3Å; V166-M325 HydrophobicContact CB-SD 4.46Å; V166-M325 HydrophobicContact CG1-CE 3.52Å; V166-M325 HydrophobicContact CG1-CG 4Å; V166-M325 HydrophobicContact CG1-SD 3.89Å; M167-M325 HydrophobicContact CB-SD 4.08Å; M167-M325 HydrophobicContact CG-CG 4.32Å; M167-M325 HydrophobicContact CG-SD 3.22Å; M167-M325 WeakPolarHBondContact CG-SD 2.98Å; C170-M325 HydrophobicContact CB-CG 4.02Å; T317-M325 HydrophobicContact CG2-CB 4.21Å; T317-M325 VanDerWaalsContact CG2-O 3.23Å; T317-M325 WeakPolarHBondContact CG2-O 3.33Å; T317-M325 CarbonylContact O-C 3.59Å; T317-M325 VanDerWaalsContact O-O 3.14Å; A320-M325 HydrophobicContact CB-CB 3.78Å; A320-M325 HydrophobicContact CB-CE 3.74Å; A320-M325 HydrophobicContact CB-SD 4.33Å; H322-M325 HydrophobicContact CB-CB 4.22Å; H322-M325 HydrophobicContact CB-CG 4.42Å; H322-M325 HydrophobicContact CB-SD 4.17Å; H322-M325 WeakPolarHBondContact ND1-CG 3.38Å; H322-M325 PolarHBondContact ND1-N 3.38Å; H322-M325 PolarHBondContact O-N 3.31Å; H322-M325 VanDerWaalsContact O-N 3.14Å; M325-K327 VanDerWaalsContact C-N 3.29Å; M325-K327 PolarHBondContact O-N 2.91Å; M325-S328 PolarHBondContact O-N 2.9Å; M325-S328 VanDerWaalsContact O-N 3.14Å; M325-G329 PolarHBondContact O-N 3.36Å
326	S	98.4	Very high	98.2	Very high	27 Å²	27	50.9 Å²	50.9	19%	0.189	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-45.9	177.7	-175.1	0	0	0	0	111	T317 M318 A320 H322 S328 G329 Y330	T317-S326 VanDerWaalsContact O-CA 3.31Å; T317-S326 WeakPolarHBondContact O-CA 3.43Å; T317-S326 PolarHBondContact O-N 3.11Å; M318-S326 WeakPolarHBondContact O-CB 3.48Å; M318-S326 PolarHBondContact O-OG 2.94Å; A320-S326 WeakPolarHBondContact O-CB 3.46Å; H322-S326 PolarHBondContact O-N 2.65Å; S326-S328 PolarHBondContact O-N 2.73Å; S326-G329 PolarHBondContact O-N 3.19Å; S326-Y330 WeakPolarHBondContact O-CD2 3.45Å; S326-Y330 PolarHBondContact O-N 3.45Å; S326-Y330 WeakPolarHBondContact OG-CE2 3.49Å
327	K	98.5	Very high	98.2	Very high	101 Å²	101	53.9 Å²	53.9	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-58.1	-47.7	176.1	-171.5	-175	178.4	-164.7	0	112.3	K323 W324 M325 Y330 Q331	K323-K327 VanDerWaalsContact O-CB 3.3Å; K323-K327 WeakPolarHBondContact O-CB 3.46Å; K323-K327 PolarHBondContact O-N 3.37Å; K323-K327 VanDerWaalsContact O-N 3.12Å; W324-K327 HydrophobicContact CE3-CD 3.93Å; W324-K327 HydrophobicContact CZ3-CD 3.79Å; M325-K327 VanDerWaalsContact C-N 3.29Å; M325-K327 PolarHBondContact O-N 2.91Å; K327-Y330 PolarHBondContact O-N 2.96Å; K327-Q331 WeakPolarHBondContact O-CB 3.49Å; K327-Q331 PolarHBondContact O-N 3.24Å
328	S	98.6	Very high	98.2	Very high	5 Å²	5	59.8 Å²	59.8	4%	0.035	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-46.6	176.1	-69.4	0	0	0	0	111.5	W324 M325 S326 Y330 Q331 W332	W324-S328 WeakPolarHBondContact O-CB 3.06Å; W324-S328 PolarHBondContact O-N 3.33Å; W324-S328 PolarHBondContact O-OG 3.18Å; W324-S328 VanDerWaalsContact O-OG 3.13Å; M325-S328 PolarHBondContact O-N 2.9Å; M325-S328 VanDerWaalsContact O-N 3.14Å; S326-S328 PolarHBondContact O-N 2.73Å; S328-Y330 PolarHBondContact O-N 3Å; S328-Q331 WeakPolarHBondContact O-CB 3.39Å; S328-Q331 PolarHBondContact O-N 3.27Å; S328-Q331 VanDerWaalsContact O-N 3.1Å; S328-W332 PolarHBondContact O-N 2.9Å
329	G	98.6	Very high	98.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-41.5	178.6	0	0	0	0	0	113.4	M325 S326 W332 Q333	M325-G329 PolarHBondContact O-N 3.36Å; S326-G329 PolarHBondContact O-N 3.19Å; G329-W332 PolarHBondContact O-N 2.85Å; G329-Q333 WeakPolarHBondContact O-CB 3.41Å; G329-Q333 PolarHBondContact O-N 3.05Å
330	Y	98.7	Very high	98.3	Very high	148 Å²	148	57.5 Å²	57.5	58%	0.58	29%	0.29	S	S	*	.	H	α-helix	trans	-61.9	-43.2	172.3	-84.3	-68.3	0	0	0	112.1	M318 S326 K327 S328 Q333 S334	M318-Y330 HydrophobicContact CG-CD1 3.8Å; M318-Y330 HydrophobicContact CG-CD2 3.87Å; M318-Y330 HydrophobicContact CG-CE1 3.8Å; M318-Y330 HydrophobicContact CG-CE2 3.85Å; M318-Y330 HydrophobicContact CG-CG 3.83Å; M318-Y330 HydrophobicContact SD-CD1 3.56Å; M318-Y330 VanDerWaalsContact SD-CD1 3.56Å; M318-Y330 HydrophobicContact SD-CE1 3.62Å; M318-Y330 HydrophobicContact SD-CG 4.13Å; S326-Y330 WeakPolarHBondContact O-CD2 3.45Å; S326-Y330 PolarHBondContact O-N 3.45Å; S326-Y330 WeakPolarHBondContact OG-CE2 3.49Å; K327-Y330 PolarHBondContact O-N 2.96Å; S328-Y330 PolarHBondContact O-N 3Å; Y330-Q333 PolarHBondContact O-N 3.47Å; Y330-S334 PolarHBondContact O-N 3.49Å
331	Q	98.8	Very high	98.4	Very high	62 Å²	62	56.7 Å²	56.7	29%	0.29	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-44.7	179	-173.9	59.8	62.5	0	0	111.6	K327 S328 Q333 S334 Y335	K327-Q331 WeakPolarHBondContact O-CB 3.49Å; K327-Q331 PolarHBondContact O-N 3.24Å; S328-Q331 WeakPolarHBondContact O-CB 3.39Å; S328-Q331 PolarHBondContact O-N 3.27Å; S328-Q331 VanDerWaalsContact O-N 3.1Å; Q331-Q333 VanDerWaalsContact C-N 3.35Å; Q331-Q333 PolarHBondContact O-N 3.41Å; Q331-S334 WeakPolarHBondContact O-CB 3.49Å; Q331-S334 PolarHBondContact O-N 3.18Å; Q331-Y335 HydrophobicContact CG-CD2 4.24Å; Q331-Y335 HydrophobicContact CG-CE1 4.27Å; Q331-Y335 HydrophobicContact CG-CE2 3.62Å; Q331-Y335 VanDerWaalsContact NE2-CZ 3.27Å; Q331-Y335 PolarHBondContact O-N 2.91Å
332	W	98.8	Very high	98.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-41.8	177.9	-59.6	-12.2	0	0	0	112	V273 L276 V277 D280 I314 T317 S328 G329 S334 Y335 L336 W341	V273-W332 HydrophobicContact CG1-CH2 4.3Å; L276-W332 HydrophobicContact CB-CD2 4.18Å; L276-W332 HydrophobicContact CB-CE3 4.2Å; L276-W332 HydrophobicContact CB-CH2 3.96Å; L276-W332 HydrophobicContact CB-CZ2 3.94Å; L276-W332 HydrophobicContact CB-CZ3 4.09Å; L276-W332 HydrophobicContact CD1-CD2 4.42Å; L276-W332 HydrophobicContact CD1-CE3 3.73Å; L276-W332 HydrophobicContact CD1-CH2 4.31Å; L276-W332 HydrophobicContact CD1-CZ3 3.66Å; V277-W332 HydrophobicContact CG2-CH2 4.27Å; V277-W332 HydrophobicContact CG2-CZ2 3.8Å; D280-W332 PolarHBondContact OD2-NE1 3.42Å; I314-W332 HydrophobicContact CD1-CB 4.46Å; I314-W332 HydrophobicContact CG1-CB 4.44Å; I314-W332 HydrophobicContact CG1-CE3 4.21Å; I314-W332 HydrophobicContact CG2-CB 4.26Å; T317-W332 HydrophobicContact CG2-CE3 4.22Å; T317-W332 HydrophobicContact CG2-CH2 3.93Å; T317-W332 HydrophobicContact CG2-CZ3 3.54Å; S328-W332 PolarHBondContact O-N 2.9Å; G329-W332 PolarHBondContact O-N 2.85Å; W332-S334 VanDerWaalsContact C-N 3.34Å; W332-Y335 PolarHBondContact O-N 3.45Å; W332-L336 PolarHBondContact O-N 3.23Å; W332-L336 VanDerWaalsContact O-N 3.12Å; W332-W341 HydrophobicContact CB-CE3 4.2Å; W332-W341 HydrophobicContact CB-CH2 4.09Å; W332-W341 HydrophobicContact CB-CZ3 3.5Å; W332-W341 AromaticContact CD1-CH2 3.23Å; W332-W341 AromaticContact CD1-CZ3 3.62Å; W332-W341 HydrophobicContact CD2-CH2 4.22Å; W332-W341 HydrophobicContact CD2-CZ3 4.21Å; W332-W341 AromaticContact CG-CH2 3.58Å; W332-W341 HydrophobicContact CG-CH2 3.58Å; W332-W341 AromaticContact CG-CZ3 3.47Å; W332-W341 HydrophobicContact CG-CZ3 3.47Å; W332-W341 VanDerWaalsContact CG-CZ3 3.47Å; W332-W341 AromaticContact NE1-CH2 3.72Å
333	Q	98.8	Very high	98.5	Very high	42 Å²	42	49.4 Å²	49.4	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-38.5	174.6	-173.5	63	69.4	0	0	112	I314 M318 G329 Y330 Q331 L336 N337	I314-Q333 HydrophobicContact CG2-CB 4.22Å; M318-Q333 HydrophobicContact SD-CB 4.37Å; G329-Q333 WeakPolarHBondContact O-CB 3.41Å; G329-Q333 PolarHBondContact O-N 3.05Å; Y330-Q333 PolarHBondContact O-N 3.47Å; Q331-Q333 VanDerWaalsContact C-N 3.35Å; Q331-Q333 PolarHBondContact O-N 3.41Å; Q333-L336 PolarHBondContact O-N 2.93Å; Q333-N337 PolarHBondContact NE2-OD1 3.25Å; Q333-N337 VanDerWaalsContact NE2-OD1 3.1Å; Q333-N337 PolarHBondContact O-N 3.02Å; Q333-N337 PolarHBondContact O-ND2 3.12Å; Q333-N337 PolarHBondContact O-OD1 3.44Å
334	S	98.8	Very high	98.5	Very high	32 Å²	32	45.1 Å²	45.1	22%	0.224	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-43.5	173.8	143.5	0	0	0	0	111.3	Y330 Q331 W332 L336 N337 E338	Y330-S334 PolarHBondContact O-N 3.49Å; Q331-S334 WeakPolarHBondContact O-CB 3.49Å; Q331-S334 PolarHBondContact O-N 3.18Å; W332-S334 VanDerWaalsContact C-N 3.34Å; S334-L336 VanDerWaalsContact C-N 3.29Å; S334-L336 PolarHBondContact O-N 3.14Å; S334-N337 PolarHBondContact O-N 2.98Å; S334-N337 VanDerWaalsContact O-N 3.11Å; S334-E338 WeakPolarHBondContact O-CB 3.36Å; S334-E338 WeakPolarHBondContact O-CG 3.44Å; S334-E338 PolarHBondContact O-N 2.99Å; S334-E338 PolarHBondContact OG-OE1 2.93Å
335	Y	98.8	Very high	98.5	Very high	17 Å²	17	47.8 Å²	47.8	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-39.7	175.2	-67.7	-31.5	0	0	0	113.2	D280 V283 Q331 W332 G339 I340 W341	D280-Y335 HydrophobicContact CB-CE2 4.41Å; V283-Y335 HydrophobicContact CB-CE2 4.4Å; V283-Y335 HydrophobicContact CG1-CD1 4.37Å; V283-Y335 HydrophobicContact CG1-CE1 3.68Å; V283-Y335 HydrophobicContact CG1-CE2 4.21Å; Q331-Y335 HydrophobicContact CG-CD2 4.24Å; Q331-Y335 HydrophobicContact CG-CE1 4.27Å; Q331-Y335 HydrophobicContact CG-CE2 3.62Å; Q331-Y335 VanDerWaalsContact NE2-CZ 3.27Å; Q331-Y335 PolarHBondContact O-N 2.91Å; W332-Y335 PolarHBondContact O-N 3.45Å; Y335-G339 PolarHBondContact O-N 3.49Å; Y335-I340 HydrophobicContact CD1-CB 3.99Å; Y335-I340 HydrophobicContact CD1-CD1 3.71Å; Y335-I340 HydrophobicContact CD1-CG1 4.46Å; Y335-I340 HydrophobicContact CD1-CG2 3.69Å; Y335-I340 HydrophobicContact CE1-CD1 4.14Å; Y335-I340 HydrophobicContact CE1-CG2 4.25Å; Y335-I340 HydrophobicContact CG-CB 4.31Å; Y335-I340 HydrophobicContact CG-CG2 3.95Å; Y335-I340 PolarHBondContact O-N 2.96Å; Y335-W341 AromaticContact CD2-CD2 3.93Å; Y335-W341 HydrophobicContact CD2-CD2 3.93Å; Y335-W341 AromaticContact CD2-CE2 3.51Å; Y335-W341 HydrophobicContact CD2-CE3 4.46Å; Y335-W341 HydrophobicContact CD2-CG 4.38Å; Y335-W341 HydrophobicContact CD2-CH2 4.28Å; Y335-W341 AromaticContact CD2-CZ2 3.69Å; Y335-W341 HydrophobicContact CD2-CZ2 3.69Å; Y335-W341 AromaticContact CD2-NE1 3.72Å; Y335-W341 HydrophobicContact CE2-CZ2 4.13Å; Y335-W341 HydrophobicContact CG-CD2 4.32Å; Y335-W341 HydrophobicContact CG-CG 4.36Å; Y335-W341 PolarHBondContact O-N 2.9Å
336	L	98.7	Very high	98.5	Very high	29 Å²	29	49.6 Å²	49.6	15%	0.152	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-45.8	174	-69.8	170.8	0	0	0	112	F310 I314 W332 Q333 S334 E338 G339 W341	F310-L336 HydrophobicContact CE1-CD1 4.11Å; F310-L336 HydrophobicContact CE1-CD2 4.07Å; I314-L336 HydrophobicContact CD1-CD1 3.57Å; W332-L336 PolarHBondContact O-N 3.23Å; W332-L336 VanDerWaalsContact O-N 3.12Å; Q333-L336 PolarHBondContact O-N 2.93Å; S334-L336 VanDerWaalsContact C-N 3.29Å; S334-L336 PolarHBondContact O-N 3.14Å; L336-E338 PolarHBondContact O-N 3.3Å; L336-G339 PolarHBondContact O-N 2.76Å; L336-W341 HydrophobicContact CD2-CB 3.8Å; L336-W341 HydrophobicContact CG-CB 4.27Å
337	N	98.6	Very high	98.4	Very high	125 Å²	125	50.6 Å²	50.6	67%	0.668	26%	0.257	S	S	*	.	H	α-helix	trans	-64.7	-31.4	-179.2	-65.4	-11.6	0	0	0	112.4	Q333 S334	Q333-N337 PolarHBondContact NE2-OD1 3.25Å; Q333-N337 VanDerWaalsContact NE2-OD1 3.1Å; Q333-N337 PolarHBondContact O-N 3.02Å; Q333-N337 PolarHBondContact O-ND2 3.12Å; Q333-N337 PolarHBondContact O-OD1 3.44Å; S334-N337 PolarHBondContact O-N 2.98Å; S334-N337 VanDerWaalsContact O-N 3.11Å
338	E	98.4	Very high	98.4	Very high	125 Å²	125	45.8 Å²	45.8	58%	0.584	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.7	-179.5	-69.3	168.2	-143.1	0	0	113.3	S334 L336 I340	S334-E338 WeakPolarHBondContact O-CB 3.36Å; S334-E338 WeakPolarHBondContact O-CG 3.44Å; S334-E338 PolarHBondContact O-N 2.99Å; S334-E338 PolarHBondContact OG-OE1 2.93Å; L336-E338 PolarHBondContact O-N 3.3Å; E338-I340 HydrophobicContact CB-CD1 4.07Å; E338-I340 HydrophobicContact CB-CG1 4.2Å; E338-I340 PolarHBondContact O-N 3.26Å; E338-I340 WeakPolarHBondContact OE2-CD1 3.37Å
339	G	98.1	Very high	98.4	Very high	40 Å²	40	45.6 Å²	45.6	41%	0.412	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	14.8	-175.8	0	0	0	0	0	114.1	H290 Y335 L336	H290-G339 PolarHBondContact ND1-O 3.33Å; Y335-G339 PolarHBondContact O-N 3.49Å; L336-G339 PolarHBondContact O-N 2.76Å
340	I	98.6	Very high	98.4	Very high	34 Å²	34	45.7 Å²	45.7	17%	0.174	24%	0.235	C	C	.	.	S	Bend	trans	-70.2	-40.8	169.2	-69.5	167.8	0	0	0	108.9	V283 H290 I291 Y335 E338	V283-I340 HydrophobicContact CB-CG2 4.46Å; V283-I340 HydrophobicContact CG1-CG2 3.7Å; V283-I340 HydrophobicContact CG2-CG2 3.89Å; H290-I340 CarbonylContact C-O 3.52Å; H290-I340 VanDerWaalsContact CA-O 3.23Å; H290-I340 WeakPolarHBondContact CA-O 3.37Å; I291-I340 PolarHBondContact N-O 3.46Å; Y335-I340 HydrophobicContact CD1-CB 3.99Å; Y335-I340 HydrophobicContact CD1-CD1 3.71Å; Y335-I340 HydrophobicContact CD1-CG1 4.46Å; Y335-I340 HydrophobicContact CD1-CG2 3.69Å; Y335-I340 HydrophobicContact CE1-CD1 4.14Å; Y335-I340 HydrophobicContact CE1-CG2 4.25Å; Y335-I340 HydrophobicContact CG-CB 4.31Å; Y335-I340 HydrophobicContact CG-CG2 3.95Å; Y335-I340 PolarHBondContact O-N 2.96Å; E338-I340 HydrophobicContact CB-CD1 4.07Å; E338-I340 HydrophobicContact CB-CG1 4.2Å; E338-I340 PolarHBondContact O-N 3.26Å; E338-I340 WeakPolarHBondContact OE2-CD1 3.37Å
341	W	98.8	Very high	98.3	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.011	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.8	169.4	-71.7	4.4	0	0	0	110.3	L276 A279 D280 I291 F293 W332 Y335 L336	L276-W341 HydrophobicContact CB-CH2 4.16Å; L276-W341 HydrophobicContact CB-CZ3 4.36Å; L276-W341 HydrophobicContact CD2-CE3 4.41Å; L276-W341 HydrophobicContact CD2-CH2 4.21Å; L276-W341 HydrophobicContact CD2-CZ3 3.69Å; L276-W341 VanDerWaalsContact O-CH2 3.29Å; L276-W341 WeakPolarHBondContact O-CH2 3.36Å; A279-W341 HydrophobicContact CB-CH2 4.11Å; A279-W341 HydrophobicContact CB-CZ2 3.48Å; A279-W341 VanDerWaalsContact CB-CZ2 3.48Å; D280-W341 HydrophobicContact CB-CH2 4.24Å; D280-W341 HydrophobicContact CB-CZ2 3.98Å; I291-W341 HydrophobicContact CB-CG 4.28Å; I291-W341 CarbonylContact O-C 3.6Å; I291-W341 WeakPolarHBondContact O-CA 3.49Å; F293-W341 HydrophobicContact CE2-CB 4Å; F293-W341 AromaticContact CE2-CD2 3.55Å; F293-W341 HydrophobicContact CE2-CD2 3.55Å; F293-W341 AromaticContact CE2-CE3 3.66Å; F293-W341 HydrophobicContact CE2-CE3 3.66Å; F293-W341 AromaticContact CE2-CG 3.72Å; F293-W341 HydrophobicContact CE2-CG 3.72Å; F293-W341 HydrophobicContact CE2-CZ3 4.32Å; F293-W341 AromaticContact CZ-CD2 3.94Å; F293-W341 HydrophobicContact CZ-CD2 3.94Å; F293-W341 AromaticContact CZ-CE3 3.97Å; F293-W341 HydrophobicContact CZ-CE3 3.97Å; F293-W341 HydrophobicContact CZ-CG 4.47Å; F293-W341 HydrophobicContact CZ-CH2 4.38Å; F293-W341 HydrophobicContact CZ-CZ2 4.37Å; F293-W341 HydrophobicContact CZ-CZ3 4.18Å; W332-W341 HydrophobicContact CB-CE3 4.2Å; W332-W341 HydrophobicContact CB-CH2 4.09Å; W332-W341 HydrophobicContact CB-CZ3 3.5Å; W332-W341 AromaticContact CD1-CH2 3.23Å; W332-W341 AromaticContact CD1-CZ3 3.62Å; W332-W341 HydrophobicContact CD2-CH2 4.22Å; W332-W341 HydrophobicContact CD2-CZ3 4.21Å; W332-W341 AromaticContact CG-CH2 3.58Å; W332-W341 HydrophobicContact CG-CH2 3.58Å; W332-W341 AromaticContact CG-CZ3 3.47Å; W332-W341 HydrophobicContact CG-CZ3 3.47Å; W332-W341 VanDerWaalsContact CG-CZ3 3.47Å; W332-W341 AromaticContact NE1-CH2 3.72Å; Y335-W341 AromaticContact CD2-CD2 3.93Å; Y335-W341 HydrophobicContact CD2-CD2 3.93Å; Y335-W341 AromaticContact CD2-CE2 3.51Å; Y335-W341 HydrophobicContact CD2-CE3 4.46Å; Y335-W341 HydrophobicContact CD2-CG 4.38Å; Y335-W341 HydrophobicContact CD2-CH2 4.28Å; Y335-W341 AromaticContact CD2-CZ2 3.69Å; Y335-W341 HydrophobicContact CD2-CZ2 3.69Å; Y335-W341 AromaticContact CD2-NE1 3.72Å; Y335-W341 HydrophobicContact CE2-CZ2 4.13Å; Y335-W341 HydrophobicContact CG-CD2 4.32Å; Y335-W341 HydrophobicContact CG-CG 4.36Å; Y335-W341 PolarHBondContact O-N 2.9Å; L336-W341 HydrophobicContact CD2-CB 3.8Å; L336-W341 HydrophobicContact CG-CB 4.27Å
342	S	98.7	Very high	98.3	Very high	27 Å²	27	36.4 Å²	36.4	19%	0.189	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144	168.9	55.8	0	0	0	0	110.5	I291 H292 F293 H344	I291-S342 PolarHBondContact O-N 3.39Å; H292-S342 PolarHBondContact CD2-OG 3.22Å; H292-S342 PolarHBondContact NE2-OG 3.39Å; F293-S342 WeakPolarHBondContact CD2-O 3.44Å; F293-S342 PolarHBondContact N-O 3Å; S342-H344 WeakPolarHBondContact CB-NE2 3.21Å; S342-H344 PolarHBondContact OG-NE2 2.9Å
343	Y	98.8	Very high	98.2	Very high	39 Å²	39	36.6 Å²	36.6	15%	0.153	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.8	172.4	179.6	-82.6	0	0	0	108.7	L265 F293 G295 V305 A307 F310 D345	L265-Y343 HydrophobicContact CD1-CE2 4.3Å; F293-Y343 HydrophobicContact CB-CD2 4.17Å; G295-Y343 VanDerWaalsContact CA-OH 3.24Å; G295-Y343 WeakPolarHBondContact CA-OH 3.18Å; V305-Y343 HydrophobicContact CG1-CE2 4.31Å; V305-Y343 PolarHBondContact O-OH 3.45Å; A307-Y343 HydrophobicContact CB-CD1 4.07Å; A307-Y343 HydrophobicContact CB-CE1 3.49Å; A307-Y343 VanDerWaalsContact CB-CE1 3.49Å; A307-Y343 PolarHBondContact N-OH 2.92Å; F310-Y343 HydrophobicContact CB-CD2 3.82Å; F310-Y343 HydrophobicContact CB-CE2 3.78Å; F310-Y343 AromaticContact CD1-CD2 3.85Å; F310-Y343 HydrophobicContact CD1-CD2 3.85Å; F310-Y343 HydrophobicContact CD1-CG 4.28Å; F310-Y343 AromaticContact CD2-CD2 3.64Å; F310-Y343 HydrophobicContact CD2-CD2 3.64Å; F310-Y343 HydrophobicContact CD2-CE2 4.05Å; F310-Y343 HydrophobicContact CE1-CD2 4.3Å; F310-Y343 HydrophobicContact CE2-CD2 4.11Å; F310-Y343 AromaticContact CG-CD2 3.49Å; F310-Y343 HydrophobicContact CG-CD2 3.49Å; F310-Y343 VanDerWaalsContact CG-CD2 3.49Å; F310-Y343 AromaticContact CG-CE2 3.94Å; F310-Y343 HydrophobicContact CG-CE2 3.94Å; F310-Y343 HydrophobicContact CG-CG 4.33Å; F310-Y343 HydrophobicContact CZ-CD2 4.43Å; Y343-D345 HydrophobicContact CE1-CB 4.14Å
344	H	98.6	Very high	98.2	Very high	67 Å²	67	35 Å²	35	31%	0.31	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.5	176.7	-54.8	-85.2	0	0	0	108.9	H292 F293 H294 G295 S342	H292-H344 AromaticContact CE1-NE2 3.75Å; H292-H344 AromaticContact CG-NE2 3.7Å; H292-H344 AromaticContact ND1-CD2 3.84Å; H292-H344 AromaticContact ND1-NE2 3.25Å; H292-H344 PolarHBondContact ND1-NE2 3.37Å; F293-H344 PolarHBondContact O-N 2.97Å; H294-H344 CarbonylContact C-O 3.48Å; H294-H344 VanDerWaalsContact CA-O 3.3Å; H294-H344 WeakPolarHBondContact CA-O 3.36Å; G295-H344 PolarHBondContact N-O 3.12Å; S342-H344 WeakPolarHBondContact CB-NE2 3.21Å; S342-H344 PolarHBondContact OG-NE2 2.9Å
345	D	96.3	Very high	98.2	Very high	79 Å²	79	33.5 Å²	33.5	42%	0.422	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	159.1	159.5	61.1	46.8	0	0	0	108.6	Y343	Y343-D345 HydrophobicContact CE1-CB 4.14Å
346	H	98	Very high	98.1	Very high	39 Å²	39	34 Å²	34	18%	0.181	19%	0.186	C	C	.	.			trans	-154.7	135.4	179.4	-170.6	-89.1	0	0	0	108.8	C297 F348 W349 D364 L365	C297-H346 PolarHBondContact SG-O 3.41Å; H346-F348 WeakPolarHBondContact ND1-CB 3.13Å; H346-F348 PolarHBondContact ND1-N 2.83Å; H346-F348 PolarHBondContact O-N 3.37Å; H346-W349 PolarHBondContact O-N 3.3Å; H346-D364 IonicContact NE2-OD1 2.82Å; H346-D364 IonicContact NE2-OD2 2.89Å; H346-D364 PolarHBondContact NE2-OD2 3.45Å; H346-L365 HydrophobicContact CB-CD1 4.3Å; H346-L365 HydrophobicContact CB-CD2 4.17Å
347	P	96.8	Very high	98.1	Very high	48 Å²	48	34.9 Å²	34.9	31%	0.312	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-53.3	-31.5	-175.6	-29.6	35.6	0	0	0	114.1	W349 T350 Q351	P347-W349 VanDerWaalsContact C-N 3.25Å; P347-W349 PolarHBondContact O-N 2.98Å; P347-T350 CarbonylContact O-C 3.58Å; P347-T350 PolarHBondContact O-N 3.46Å; P347-T350 PolarHBondContact O-OG1 3Å; P347-T350 VanDerWaalsContact O-OG1 3.06Å; P347-Q351 WeakPolarHBondContact O-CG 3.45Å; P347-Q351 PolarHBondContact O-N 2.89Å
348	F	98.2	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-55.4	-36.3	177.7	-169.9	-92.7	0	0	0	113.6	H346 T350 Q351 H353 F355 M358 D361 A362 L365	H346-F348 WeakPolarHBondContact ND1-CB 3.13Å; H346-F348 PolarHBondContact ND1-N 2.83Å; H346-F348 PolarHBondContact O-N 3.37Å; F348-T350 PolarHBondContact O-N 3.19Å; F348-Q351 PolarHBondContact O-N 3.27Å; F348-H353 HydrophobicContact CD2-CB 4.33Å; F348-H353 HydrophobicContact CE2-CB 3.53Å; F348-H353 AromaticContact CE2-CG 3.95Å; F348-H353 HydrophobicContact CZ-CB 3.76Å; F348-F355 AromaticContact CE1-CD1 3.66Å; F348-F355 HydrophobicContact CE1-CD1 3.66Å; F348-F355 HydrophobicContact CE1-CE1 4.08Å; F348-F355 HydrophobicContact CZ-CD1 4.4Å; F348-M358 HydrophobicContact CD1-CE 3.6Å; F348-M358 HydrophobicContact CD1-CG 4.03Å; F348-M358 HydrophobicContact CD2-CG 4.47Å; F348-M358 HydrophobicContact CE1-CB 3.72Å; F348-M358 HydrophobicContact CE1-CE 3.31Å; F348-M358 HydrophobicContact CE1-CG 3.71Å; F348-M358 HydrophobicContact CE1-SD 4.33Å; F348-M358 HydrophobicContact CE2-CB 4.01Å; F348-M358 HydrophobicContact CE2-CG 4.18Å; F348-M358 HydrophobicContact CG-CG 4.4Å; F348-M358 VanDerWaalsContact CZ-CA 3.48Å; F348-M358 HydrophobicContact CZ-CB 3.43Å; F348-M358 VanDerWaalsContact CZ-CB 3.43Å; F348-M358 HydrophobicContact CZ-CE 4.26Å; F348-M358 HydrophobicContact CZ-CG 3.8Å; F348-D361 HydrophobicContact CE2-CB 4.27Å; F348-A362 HydrophobicContact CB-CB 3.91Å; F348-A362 HydrophobicContact CD2-CB 3.54Å; F348-A362 HydrophobicContact CE2-CB 4.28Å; F348-A362 HydrophobicContact CG-CB 3.84Å; F348-L365 HydrophobicContact CB-CD2 3.8Å; F348-L365 HydrophobicContact CD1-CD2 3.92Å; F348-L365 HydrophobicContact CG-CD2 4.13Å
349	W	98.6	Very high	98	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-63.3	-32	178.9	-60.6	127.9	0	0	0	112.2	V264 H294 K296 H346 P347 F355 M358 L365 L369 F377 K385	V264-W349 HydrophobicContact CB-CH2 4.44Å; V264-W349 HydrophobicContact CG1-CD2 4.32Å; V264-W349 HydrophobicContact CG1-CE3 3.9Å; V264-W349 HydrophobicContact CG1-CH2 3.9Å; V264-W349 HydrophobicContact CG1-CZ2 4.3Å; V264-W349 HydrophobicContact CG1-CZ3 3.69Å; V264-W349 HydrophobicContact CG2-CH2 3.62Å; V264-W349 HydrophobicContact CG2-CZ2 3.97Å; V264-W349 HydrophobicContact CG2-CZ3 4.21Å; H294-W349 HydrophobicContact CB-CZ2 4.03Å; H294-W349 AromaticContact CG-CZ2 3.99Å; H294-W349 AromaticContact CG-NE1 3.97Å; H294-W349 AromaticContact ND1-CZ2 3.86Å; H294-W349 AromaticContact ND1-NE1 3.58Å; K296-W349 HydrophobicContact CD-CB 3.93Å; H346-W349 PolarHBondContact O-N 3.3Å; P347-W349 VanDerWaalsContact C-N 3.25Å; P347-W349 PolarHBondContact O-N 2.98Å; W349-F355 AromaticContact CE3-CE1 3.89Å; W349-F355 HydrophobicContact CE3-CE1 3.89Å; W349-F355 AromaticContact CE3-CZ 3.89Å; W349-F355 HydrophobicContact CE3-CZ 3.89Å; W349-F355 AromaticContact CZ3-CE1 3.7Å; W349-F355 HydrophobicContact CZ3-CE1 3.7Å; W349-F355 HydrophobicContact CZ3-CE2 4.21Å; W349-F355 AromaticContact CZ3-CZ 3.53Å; W349-F355 HydrophobicContact CZ3-CZ 3.53Å; W349-M358 HydrophobicContact CH2-CE 3.78Å; W349-M358 HydrophobicContact CZ3-CE 3.83Å; W349-L365 HydrophobicContact CD2-CD2 4.29Å; W349-L365 HydrophobicContact CH2-CD2 4.3Å; W349-L365 HydrophobicContact CZ2-CD1 3.94Å; W349-L365 HydrophobicContact CZ2-CD2 3.77Å; W349-L365 HydrophobicContact CZ2-CG 4.25Å; W349-L369 HydrophobicContact CH2-CD1 4.01Å; W349-L369 HydrophobicContact CZ2-CD1 4.37Å; W349-F377 HydrophobicContact CH2-CE1 4.2Å; W349-F377 HydrophobicContact CZ3-CE1 4.16Å; W349-K385 PolarHBondContact O-NZ 3.37Å
350	T	98.5	Very high	98	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-102.3	12.7	177.7	48.9	0	0	0	0	113.7	W100 K296 F298 W300 P347 F348	W100-T350 WeakPolarHBondContact CZ2-O 3.31Å; K296-T350 HydrophobicContact CB-CG2 3.64Å; K296-T350 HydrophobicContact CD-CG2 4.06Å; K296-T350 HydrophobicContact CG-CG2 4.25Å; F298-T350 HydrophobicContact CD1-CG2 4.3Å; F298-T350 HydrophobicContact CE1-CG2 4.07Å; F298-T350 WeakPolarHBondContact CE1-OG1 3.31Å; F298-T350 HydrophobicContact CZ-CG2 4.29Å; W300-T350 HydrophobicContact CB-CG2 4.32Å; W300-T350 HydrophobicContact CD2-CG2 3.92Å; W300-T350 HydrophobicContact CE3-CG2 4.14Å; W300-T350 HydrophobicContact CG-CG2 4.03Å; W300-T350 WeakPolarHBondContact CH2-O 3.46Å; P347-T350 CarbonylContact O-C 3.58Å; P347-T350 PolarHBondContact O-N 3.46Å; P347-T350 PolarHBondContact O-OG1 3Å; P347-T350 VanDerWaalsContact O-OG1 3.06Å; F348-T350 PolarHBondContact O-N 3.19Å
351	Q	97.7	Very high	97.8	Very high	16 Å²	16	28.4 Å²	28.4	8%	0.075	17%	0.17	C	C	.	.	S	Bend	trans	-95.3	165.6	171.5	-84.9	175.9	-11.1	0	0	111.5	S99 P347 F348 H353 K385	S99-Q351 PolarHBondContact OG-NE2 3.34Å; P347-Q351 WeakPolarHBondContact O-CG 3.45Å; P347-Q351 PolarHBondContact O-N 2.89Å; F348-Q351 PolarHBondContact O-N 3.27Å; Q351-H353 VanDerWaalsContact C-N 3.27Å; Q351-H353 WeakPolarHBondContact CB-ND1 3.32Å; Q351-H353 PolarHBondContact O-N 2.92Å; Q351-H353 PolarHBondContact OE1-CE1 3.25Å; Q351-H353 PolarHBondContact OE1-ND1 3.03Å; Q351-K385 WeakPolarHBondContact O-CE 3.29Å; Q351-K385 PolarHBondContact O-NZ 2.85Å
352	P	97.2	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-83.6	1.4	-177.9	35.7	-37	0	0	0	114	W100 Y103 Y126 C129	W100-P352 HydrophobicContact CD2-CG 4.49Å; W100-P352 HydrophobicContact CE3-CG 3.81Å; W100-P352 HydrophobicContact CH2-CB 4.15Å; W100-P352 HydrophobicContact CH2-CG 4.06Å; W100-P352 HydrophobicContact CZ3-CB 3.88Å; W100-P352 HydrophobicContact CZ3-CG 3.56Å; Y103-P352 HydrophobicContact CD1-CB 4.04Å; Y103-P352 HydrophobicContact CD1-CG 3.32Å; Y103-P352 HydrophobicContact CD2-CG 3.98Å; Y103-P352 HydrophobicContact CE1-CB 3.75Å; Y103-P352 HydrophobicContact CE1-CG 3.53Å; Y103-P352 HydrophobicContact CE2-CG 4.15Å; Y103-P352 HydrophobicContact CG-CG 3.55Å; Y103-P352 PolarHBondContact OH-O 3.34Å; Y126-P352 HydrophobicContact CD2-CB 3.61Å; Y126-P352 HydrophobicContact CD2-CG 4Å; Y126-P352 HydrophobicContact CE2-CB 4.37Å; Y126-P352 HydrophobicContact CE2-CG 4.3Å; C129-P352 HydrophobicContact CB-CB 4.02Å
353	H	97.6	Very high	97.8	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.019	19%	0.186	C	C	.	.			trans	-60.6	145	-178.2	-62.4	99.6	0	0	0	112.3	Y103 F348 Q351 D357 D361	Y103-H353 AromaticContact CD2-CD2 3.52Å; Y103-H353 AromaticContact CD2-NE2 3.36Å; Y103-H353 WeakPolarHBondContact CD2-NE2 3.43Å; Y103-H353 AromaticContact CE2-CD2 3.61Å; Y103-H353 AromaticContact CE2-NE2 3.98Å; F348-H353 HydrophobicContact CD2-CB 4.33Å; F348-H353 HydrophobicContact CE2-CB 3.53Å; F348-H353 AromaticContact CE2-CG 3.95Å; F348-H353 HydrophobicContact CZ-CB 3.76Å; Q351-H353 VanDerWaalsContact C-N 3.27Å; Q351-H353 WeakPolarHBondContact CB-ND1 3.32Å; Q351-H353 PolarHBondContact O-N 2.92Å; Q351-H353 PolarHBondContact OE1-CE1 3.25Å; Q351-H353 PolarHBondContact OE1-ND1 3.03Å; H353-D357 HydrophobicContact CB-CB 4.45Å; H353-D361 IonicContact CD2-OD2 3.68Å; H353-D361 PolarHBondContact CD2-OD2 2.98Å; H353-D361 IonicContact NE2-OD1 3.65Å; H353-D361 IonicContact NE2-OD2 2.65Å
354	E	98.1	Very high	97.7	Very high	9 Å²	9	33.4 Å²	33.4	4%	0.042	20%	0.202	C	C	.	.			trans	-75.1	152.3	165.2	-59.1	178.8	-158.6	0	0	108.5	L125 C356 D357 G388 R390 R403	L125-E354 HydrophobicContact CD2-CG 4.24Å; E354-C356 PolarHBondContact O-N 3.08Å; E354-D357 WeakPolarHBondContact O-CB 3.38Å; E354-D357 PolarHBondContact O-N 2.84Å; E354-G388 WeakPolarHBondContact OE2-CA 3.35Å; E354-R390 IonicContact OE1-CZ 3.84Å; E354-R390 VanDerWaalsContact OE1-CZ 3.22Å; E354-R390 IonicContact OE1-NE 3.82Å; E354-R390 PolarHBondContact OE1-NE 2.85Å; E354-R390 IonicContact OE1-NH2 3.16Å; E354-R390 PolarHBondContact OE1-NH2 2.84Å; E354-R390 IonicContact OE2-NE 2.63Å; E354-R390 IonicContact OE2-NH2 2.72Å; E354-R403 IonicContact OE2-CZ 2.77Å; E354-R403 IonicContact OE2-NH1 2.88Å; E354-R403 PolarHBondContact OE2-NH1 3.47Å
355	F	98.6	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-67.4	-25.6	-176.3	-70.6	-11.9	0	0	0	112.9	F348 W349 D357 M358 F377 N382 K385 L386 F405	F348-F355 AromaticContact CE1-CD1 3.66Å; F348-F355 HydrophobicContact CE1-CD1 3.66Å; F348-F355 HydrophobicContact CE1-CE1 4.08Å; F348-F355 HydrophobicContact CZ-CD1 4.4Å; W349-F355 AromaticContact CE3-CE1 3.89Å; W349-F355 HydrophobicContact CE3-CE1 3.89Å; W349-F355 AromaticContact CE3-CZ 3.89Å; W349-F355 HydrophobicContact CE3-CZ 3.89Å; W349-F355 AromaticContact CZ3-CE1 3.7Å; W349-F355 HydrophobicContact CZ3-CE1 3.7Å; W349-F355 HydrophobicContact CZ3-CE2 4.21Å; W349-F355 AromaticContact CZ3-CZ 3.53Å; W349-F355 HydrophobicContact CZ3-CZ 3.53Å; F355-D357 PolarHBondContact O-N 2.63Å; F355-D357 VanDerWaalsContact O-N 3.11Å; F355-M358 HydrophobicContact CD1-CE 4.26Å; F355-M358 WeakPolarHBondContact O-CB 3.28Å; F355-M358 PolarHBondContact O-N 2.94Å; F355-F377 HydrophobicContact CD2-CD1 4.38Å; F355-F377 AromaticContact CD2-CE1 3.87Å; F355-F377 HydrophobicContact CD2-CE1 3.87Å; F355-F377 HydrophobicContact CD2-CZ 4.47Å; F355-F377 AromaticContact CE2-CD1 3.65Å; F355-F377 HydrophobicContact CE2-CD1 3.65Å; F355-F377 AromaticContact CE2-CE1 3.41Å; F355-F377 HydrophobicContact CE2-CE1 3.41Å; F355-F377 VanDerWaalsContact CE2-CE1 3.41Å; F355-F377 HydrophobicContact CE2-CZ 4.4Å; F355-F377 HydrophobicContact CZ-CD1 4.47Å; F355-F377 HydrophobicContact CZ-CE1 4.19Å; F355-N382 HydrophobicContact CE2-CB 4.42Å; F355-N382 WeakPolarHBondContact CZ-OD1 3.48Å; F355-K385 HydrophobicContact CD1-CB 3.62Å; F355-K385 HydrophobicContact CD1-CD 3.94Å; F355-K385 HydrophobicContact CD1-CG 4.4Å; F355-K385 HydrophobicContact CD2-CB 3.94Å; F355-K385 HydrophobicContact CE1-CB 3.56Å; F355-K385 HydrophobicContact CE1-CD 3.3Å; F355-K385 HydrophobicContact CE1-CG 4.07Å; F355-K385 HydrophobicContact CE2-CB 3.8Å; F355-K385 HydrophobicContact CG-CB 3.85Å; F355-K385 HydrophobicContact CZ-CB 3.62Å; F355-K385 HydrophobicContact CZ-CD 3.76Å; F355-K385 HydrophobicContact CZ-CG 4.32Å; F355-K385 PolarHBondContact N-O 3.08Å; F355-L386 HydrophobicContact CD2-CB 4.38Å; F355-L386 HydrophobicContact CD2-CD2 3.68Å; F355-L386 HydrophobicContact CD2-CG 3.67Å; F355-L386 HydrophobicContact CE2-CD2 4.39Å; F355-L386 HydrophobicContact CE2-CG 4.06Å; F355-F405 HydrophobicContact CB-CD1 3.96Å; F355-F405 HydrophobicContact CB-CD2 3.91Å; F355-F405 HydrophobicContact CB-CE1 4.05Å; F355-F405 HydrophobicContact CB-CE2 4Å; F355-F405 HydrophobicContact CB-CG 3.87Å; F355-F405 HydrophobicContact CB-CZ 4.06Å; F355-F405 HydrophobicContact CD2-CE1 4.19Å; F355-F405 HydrophobicContact CD2-CZ 4.44Å; F355-F405 HydrophobicContact CG-CE1 4.49Å; F355-F405 HydrophobicContact CG-CZ 4.44Å; F355-F405 WeakPolarHBondContact O-CD2 3.48Å; F355-F405 WeakPolarHBondContact O-CE2 3.06Å
356	C	98	Very high	97.8	Very high	28 Å²	28	28.3 Å²	28.3	19%	0.189	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-60.3	-19.8	171.7	64.2	0	0	0	0	114	E354 R403	E354-C356 PolarHBondContact O-N 3.08Å; C356-R403 HydrophobicContact CB-CB 3.83Å
357	D	97.3	Very high	97.8	Very high	46 Å²	46	28.6 Å²	28.6	25%	0.246	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-86.5	-10.5	178.1	-55.6	-30.7	0	0	0	112.2	H353 E354 F355 A359 A360 D361	H353-D357 HydrophobicContact CB-CB 4.45Å; E354-D357 WeakPolarHBondContact O-CB 3.38Å; E354-D357 PolarHBondContact O-N 2.84Å; F355-D357 PolarHBondContact O-N 2.63Å; F355-D357 VanDerWaalsContact O-N 3.11Å; D357-A359 VanDerWaalsContact C-N 3.32Å; D357-A359 PolarHBondContact O-N 2.59Å; D357-A360 PolarHBondContact O-N 2.95Å; D357-D361 PolarHBondContact O-N 3.01Å
358	M	98.4	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-39.6	-172.4	-168.7	-171.2	-70	0	0	113	F348 W349 F355 A360 D361 A362 L365 Y366 L369 F405	F348-M358 HydrophobicContact CD1-CE 3.6Å; F348-M358 HydrophobicContact CD1-CG 4.03Å; F348-M358 HydrophobicContact CD2-CG 4.47Å; F348-M358 HydrophobicContact CE1-CB 3.72Å; F348-M358 HydrophobicContact CE1-CE 3.31Å; F348-M358 HydrophobicContact CE1-CG 3.71Å; F348-M358 HydrophobicContact CE1-SD 4.33Å; F348-M358 HydrophobicContact CE2-CB 4.01Å; F348-M358 HydrophobicContact CE2-CG 4.18Å; F348-M358 HydrophobicContact CG-CG 4.4Å; F348-M358 VanDerWaalsContact CZ-CA 3.48Å; F348-M358 HydrophobicContact CZ-CB 3.43Å; F348-M358 VanDerWaalsContact CZ-CB 3.43Å; F348-M358 HydrophobicContact CZ-CE 4.26Å; F348-M358 HydrophobicContact CZ-CG 3.8Å; W349-M358 HydrophobicContact CH2-CE 3.78Å; W349-M358 HydrophobicContact CZ3-CE 3.83Å; F355-M358 HydrophobicContact CD1-CE 4.26Å; F355-M358 WeakPolarHBondContact O-CB 3.28Å; F355-M358 PolarHBondContact O-N 2.94Å; M358-A360 PolarHBondContact O-N 3.06Å; M358-D361 PolarHBondContact O-N 3.06Å; M358-A362 HydrophobicContact CG-CB 4.17Å; M358-A362 CarbonylContact O-C 3.51Å; M358-A362 WeakPolarHBondContact O-CA 3.4Å; M358-A362 PolarHBondContact O-N 3.06Å; M358-A362 VanDerWaalsContact O-O 3.12Å; M358-L365 HydrophobicContact CE-CD2 3.93Å; M358-L365 HydrophobicContact CE-CG 4.45Å; M358-L365 HydrophobicContact CG-CD2 4.4Å; M358-L365 HydrophobicContact SD-CB 4.41Å; M358-L365 HydrophobicContact SD-CD2 3.89Å; M358-L365 HydrophobicContact SD-CG 3.85Å; M358-Y366 HydrophobicContact CB-CD2 4.12Å; M358-Y366 HydrophobicContact CG-CD2 4.22Å; M358-Y366 HydrophobicContact SD-CD2 4.07Å; M358-L369 HydrophobicContact CE-CD1 3.94Å; M358-L369 HydrophobicContact SD-CD1 3.66Å; M358-F405 HydrophobicContact CB-CD2 4.44Å; M358-F405 HydrophobicContact CB-CE2 4.05Å; M358-F405 HydrophobicContact CE-CE2 3.72Å; M358-F405 HydrophobicContact CE-CZ 3.82Å; M358-F405 HydrophobicContact SD-CE2 3.75Å; M358-F405 HydrophobicContact SD-CZ 4.23Å
359	A	97.6	Very high	97.9	Very high	55 Å²	55	28.8 Å²	28.8	46%	0.455	18%	0.184	S	C	.	.	H	α-helix	trans	-62.2	-25.4	179	0	0	0	0	0	113.1	D357 Y366	D357-A359 VanDerWaalsContact C-N 3.32Å; D357-A359 PolarHBondContact O-N 2.59Å; A359-Y366 HydrophobicContact CB-CD1 4.18Å; A359-Y366 HydrophobicContact CB-CD2 4.05Å; A359-Y366 HydrophobicContact CB-CE1 4.37Å; A359-Y366 HydrophobicContact CB-CE2 4.24Å; A359-Y366 HydrophobicContact CB-CG 4.01Å
360	A	96.9	Very high	97.8	Very high	82 Å²	82	34 Å²	34	68%	0.678	21%	0.209	S	C	*	.	H	α-helix	trans	-95.2	-43.3	178.2	0	0	0	0	0	112.3	D357 M358	D357-A360 PolarHBondContact O-N 2.95Å; M358-A360 PolarHBondContact O-N 3.06Å
361	D	95.9	Very high	97.7	Very high	52 Å²	52	40.4 Å²	40.4	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-94	-18.3	-171.1	-72.3	-62.8	0	0	0	114	R106 F348 H353 D357 M358	R106-D361 IonicContact CZ-OD1 2.72Å; R106-D361 VanDerWaalsContact CZ-OD1 3.24Å; R106-D361 VanDerWaalsContact NH1-CG 3.26Å; R106-D361 IonicContact NH1-OD1 3.46Å; R106-D361 PolarHBondContact NH1-OD1 3.34Å; R106-D361 IonicContact NH1-OD2 3.55Å; R106-D361 PolarHBondContact NH1-OD2 3.03Å; R106-D361 IonicContact NH2-OD1 3.51Å; R106-D361 PolarHBondContact NH2-OD1 3.23Å; F348-D361 HydrophobicContact CE2-CB 4.27Å; H353-D361 IonicContact CD2-OD2 3.68Å; H353-D361 PolarHBondContact CD2-OD2 2.98Å; H353-D361 IonicContact NE2-OD1 3.65Å; H353-D361 IonicContact NE2-OD2 2.65Å; D357-D361 PolarHBondContact O-N 3.01Å; M358-D361 PolarHBondContact O-N 3.06Å
362	A	97.7	Very high	97.6	Very high	3 Å²	3	40 Å²	40	3%	0.025	24%	0.238	C	C	.	.			trans	-147.1	62.4	175.6	0	0	0	0	0	111	F348 M358 D364 L365 Y366	F348-A362 HydrophobicContact CB-CB 3.91Å; F348-A362 HydrophobicContact CD2-CB 3.54Å; F348-A362 HydrophobicContact CE2-CB 4.28Å; F348-A362 HydrophobicContact CG-CB 3.84Å; M358-A362 HydrophobicContact CG-CB 4.17Å; M358-A362 CarbonylContact O-C 3.51Å; M358-A362 WeakPolarHBondContact O-CA 3.4Å; M358-A362 PolarHBondContact O-N 3.06Å; M358-A362 VanDerWaalsContact O-O 3.12Å; A362-D364 PolarHBondContact O-N 3.21Å; A362-L365 HydrophobicContact CB-CB 4.07Å; A362-L365 PolarHBondContact O-N 2.88Å; A362-L365 VanDerWaalsContact O-N 3.13Å; A362-Y366 PolarHBondContact O-N 2.97Å
363	P	98.1	Very high	97.5	Very high	78 Å²	78	42.5 Å²	42.5	51%	0.506	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-28.7	-173.7	24.7	-34.8	0	0	0	113.4	A367	P363-A367 WeakPolarHBondContact O-CB 3.41Å; P363-A367 PolarHBondContact O-N 2.69Å
364	D	98.3	Very high	97.5	Very high	93 Å²	93	42.3 Å²	42.3	50%	0.497	25%	0.251	S	S	.	.	H	α-helix	trans	-67.8	-43.6	175.2	60.8	-44.5	0	0	0	112.3	H346 A362 T368	H346-D364 IonicContact NE2-OD1 2.82Å; H346-D364 IonicContact NE2-OD2 2.89Å; H346-D364 PolarHBondContact NE2-OD2 3.45Å; A362-D364 PolarHBondContact O-N 3.21Å; D364-T368 WeakPolarHBondContact O-CB 3.48Å; D364-T368 PolarHBondContact O-N 3.49Å; D364-T368 PolarHBondContact O-OG1 2.92Å
365	L	98.5	Very high	97.5	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-42.9	172.2	179.4	62.5	0	0	0	111	H346 F348 W349 M358 A362 A367 T368 L369	H346-L365 HydrophobicContact CB-CD1 4.3Å; H346-L365 HydrophobicContact CB-CD2 4.17Å; F348-L365 HydrophobicContact CB-CD2 3.8Å; F348-L365 HydrophobicContact CD1-CD2 3.92Å; F348-L365 HydrophobicContact CG-CD2 4.13Å; W349-L365 HydrophobicContact CD2-CD2 4.29Å; W349-L365 HydrophobicContact CH2-CD2 4.3Å; W349-L365 HydrophobicContact CZ2-CD1 3.94Å; W349-L365 HydrophobicContact CZ2-CD2 3.77Å; W349-L365 HydrophobicContact CZ2-CG 4.25Å; M358-L365 HydrophobicContact CE-CD2 3.93Å; M358-L365 HydrophobicContact CE-CG 4.45Å; M358-L365 HydrophobicContact CG-CD2 4.4Å; M358-L365 HydrophobicContact SD-CB 4.41Å; M358-L365 HydrophobicContact SD-CD2 3.89Å; M358-L365 HydrophobicContact SD-CG 3.85Å; A362-L365 HydrophobicContact CB-CB 4.07Å; A362-L365 PolarHBondContact O-N 2.88Å; A362-L365 VanDerWaalsContact O-N 3.13Å; L365-A367 PolarHBondContact O-N 3.43Å; L365-T368 WeakPolarHBondContact O-CB 3.5Å; L365-T368 PolarHBondContact O-N 2.96Å; L365-T368 VanDerWaalsContact O-N 3.16Å; L365-L369 WeakPolarHBondContact O-CG 3.47Å; L365-L369 PolarHBondContact O-N 3.29Å
366	Y	98.6	Very high	97.5	Very high	33 Å²	33	42 Å²	42	13%	0.129	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-48.2	177.5	-166	-93.4	0	0	0	111	M358 A359 A362 T368 L369 Q370 F405 E406 P407	M358-Y366 HydrophobicContact CB-CD2 4.12Å; M358-Y366 HydrophobicContact CG-CD2 4.22Å; M358-Y366 HydrophobicContact SD-CD2 4.07Å; A359-Y366 HydrophobicContact CB-CD1 4.18Å; A359-Y366 HydrophobicContact CB-CD2 4.05Å; A359-Y366 HydrophobicContact CB-CE1 4.37Å; A359-Y366 HydrophobicContact CB-CE2 4.24Å; A359-Y366 HydrophobicContact CB-CG 4.01Å; A362-Y366 PolarHBondContact O-N 2.97Å; Y366-T368 VanDerWaalsContact C-N 3.29Å; Y366-T368 PolarHBondContact O-N 3.24Å; Y366-L369 PolarHBondContact O-N 3.35Å; Y366-L369 VanDerWaalsContact O-N 3.11Å; Y366-Q370 HydrophobicContact CD1-CG 4.01Å; Y366-Q370 HydrophobicContact CE1-CG 3.92Å; Y366-Q370 WeakPolarHBondContact O-CG 3.46Å; Y366-Q370 PolarHBondContact O-N 3.35Å; Y366-F405 HydrophobicContact CD2-CD2 4.25Å; Y366-F405 AromaticContact CD2-CE2 3.96Å; Y366-F405 HydrophobicContact CD2-CE2 3.96Å; Y366-F405 AromaticContact CE2-CD2 3.76Å; Y366-F405 HydrophobicContact CE2-CD2 3.76Å; Y366-F405 AromaticContact CE2-CE2 3.83Å; Y366-F405 HydrophobicContact CE2-CE2 3.83Å; Y366-E406 PolarHBondContact OH-N 3.33Å; Y366-P407 HydrophobicContact CD2-CB 4.25Å; Y366-P407 HydrophobicContact CE1-CB 4.33Å; Y366-P407 HydrophobicContact CE2-CB 3.86Å; Y366-P407 HydrophobicContact CE2-CG 4.25Å
367	A	98.2	Very high	97.6	Very high	45 Å²	45	40.7 Å²	40.7	37%	0.372	24%	0.24	S	C	.	.	H	α-helix	trans	-58.7	-40.6	174.9	0	0	0	0	0	112.1	P363 L365 L369 Q370	P363-A367 WeakPolarHBondContact O-CB 3.41Å; P363-A367 PolarHBondContact O-N 2.69Å; L365-A367 PolarHBondContact O-N 3.43Å; A367-L369 VanDerWaalsContact C-N 3.31Å; A367-L369 PolarHBondContact O-N 3.42Å; A367-Q370 WeakPolarHBondContact O-CB 3.37Å; A367-Q370 PolarHBondContact O-N 3.14Å; A367-Q370 VanDerWaalsContact O-N 3.17Å
368	T	97.6	Very high	97.6	Very high	51 Å²	51	38.6 Å²	38.6	31%	0.313	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-38.2	175.6	-62.1	0	0	0	0	112.3	R260 D364 L365 Y366	R260-T368 VanDerWaalsContact CZ-O 3.31Å; R260-T368 PolarHBondContact NH1-O 2.84Å; R260-T368 VanDerWaalsContact NH2-CG2 3.27Å; R260-T368 PolarHBondContact NH2-O 3.28Å; D364-T368 WeakPolarHBondContact O-CB 3.48Å; D364-T368 PolarHBondContact O-N 3.49Å; D364-T368 PolarHBondContact O-OG1 2.92Å; L365-T368 WeakPolarHBondContact O-CB 3.5Å; L365-T368 PolarHBondContact O-N 2.96Å; L365-T368 VanDerWaalsContact O-N 3.16Å; Y366-T368 VanDerWaalsContact C-N 3.29Å; Y366-T368 PolarHBondContact O-N 3.24Å
369	L	98	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-74.3	-26.4	176.4	-66.3	179.1	0	0	0	112.7	D262 W349 M358 L365 Y366 A367 E371 A372 V375 F405 P407 A408	D262-L369 HydrophobicContact CB-CD2 4.41Å; W349-L369 HydrophobicContact CH2-CD1 4.01Å; W349-L369 HydrophobicContact CZ2-CD1 4.37Å; M358-L369 HydrophobicContact CE-CD1 3.94Å; M358-L369 HydrophobicContact SD-CD1 3.66Å; L365-L369 WeakPolarHBondContact O-CG 3.47Å; L365-L369 PolarHBondContact O-N 3.29Å; Y366-L369 PolarHBondContact O-N 3.35Å; Y366-L369 VanDerWaalsContact O-N 3.11Å; A367-L369 VanDerWaalsContact C-N 3.31Å; A367-L369 PolarHBondContact O-N 3.42Å; L369-E371 PolarHBondContact O-N 3.07Å; L369-A372 VanDerWaalsContact O-CB 3.31Å; L369-A372 WeakPolarHBondContact O-CB 3.49Å; L369-A372 PolarHBondContact O-N 3.45Å; L369-A372 VanDerWaalsContact O-N 3.11Å; L369-V375 HydrophobicContact CD2-CG1 4.4Å; L369-V375 HydrophobicContact CD2-CG2 4.43Å; L369-F405 HydrophobicContact CD1-CZ 4.19Å; L369-P407 HydrophobicContact CB-CB 3.73Å; L369-P407 HydrophobicContact CB-CG 4.05Å; L369-P407 HydrophobicContact CD1-CG 4.33Å; L369-A408 WeakPolarHBondContact O-CB 3.32Å
370	Q	97	Very high	97.6	Very high	111 Å²	111	36.5 Å²	36.5	52%	0.519	21%	0.21	S	C	.	.	H	α-helix	trans	-65.8	-19.6	176.8	-69.9	-177.9	-70.7	0	0	113.6	Y366 A367 A372 P407	Y366-Q370 HydrophobicContact CD1-CG 4.01Å; Y366-Q370 HydrophobicContact CE1-CG 3.92Å; Y366-Q370 WeakPolarHBondContact O-CG 3.46Å; Y366-Q370 PolarHBondContact O-N 3.35Å; A367-Q370 WeakPolarHBondContact O-CB 3.37Å; A367-Q370 PolarHBondContact O-N 3.14Å; A367-Q370 VanDerWaalsContact O-N 3.17Å; Q370-A372 VanDerWaalsContact C-N 3.3Å; Q370-P407 WeakPolarHBondContact CA-O 3.35Å; Q370-P407 HydrophobicContact CG-CB 4.05Å; Q370-P407 WeakPolarHBondContact CG-O 3.39Å
371	E	95.5	Very high	97.7	Very high	136 Å²	136	33 Å²	33	64%	0.636	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.4	174.9	-62.6	179.7	172.8	0	0	113.2	R260 L369	R260-E371 IonicContact NH1-OE2 2.73Å; R260-E371 PolarHBondContact NH1-OE2 3.33Å; L369-E371 PolarHBondContact O-N 3.07Å
372	A	95.9	Very high	97.8	Very high	7 Å²	7	30.7 Å²	30.7	6%	0.058	17%	0.168	C	C	.	.			trans	-74.2	142.9	-178.2	0	0	0	0	0	111.5	D262 L369 Q370 L374 V375 A408	D262-A372 HydrophobicContact CB-CB 4.26Å; D262-A372 WeakPolarHBondContact OD2-CB 3.37Å; L369-A372 VanDerWaalsContact O-CB 3.31Å; L369-A372 WeakPolarHBondContact O-CB 3.49Å; L369-A372 PolarHBondContact O-N 3.45Å; L369-A372 VanDerWaalsContact O-N 3.11Å; Q370-A372 VanDerWaalsContact C-N 3.3Å; A372-L374 VanDerWaalsContact C-N 3.34Å; A372-V375 HydrophobicContact CB-CG2 3.82Å; A372-A408 HydrophobicContact CB-CB 4.26Å; A372-A408 VanDerWaalsContact O-CB 3.29Å; A372-A408 WeakPolarHBondContact O-CB 3.49Å
373	N	94.9	Very high	97.9	Very high	54 Å²	54	30.6 Å²	30.6	29%	0.289	17%	0.167	S	C	.	.	S	Bend	trans	-78.8	-24.7	168.7	-60.9	110.7	0	0	0	112	A258 D259 R260 P409	A258-N373 HydrophobicContact CB-CB 4.14Å; D259-N373 PolarHBondContact N-OD1 2.89Å; R260-N373 PolarHBondContact N-OD1 3.45Å; R260-N373 WeakPolarHBondContact O-CB 3.38Å; R260-N373 PolarHBondContact O-N 3.4Å; R260-N373 PolarHBondContact O-OD1 3.36Å; N373-P409 WeakPolarHBondContact O-CG 3.49Å
374	L	97.6	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	137.8	176.9	173.6	70	0	0	0	109.5	V240 L244 V261 D262 A372 L376 P409 F450	V240-L374 HydrophobicContact CG1-CD2 3.52Å; L244-L374 HydrophobicContact CD1-CD2 4.39Å; L244-L374 HydrophobicContact CD2-CD2 4Å; L244-L374 HydrophobicContact CG-CD2 4.21Å; V261-L374 WeakPolarHBondContact CA-O 3.46Å; V261-L374 HydrophobicContact CG1-CD2 4.43Å; V261-L374 HydrophobicContact CG2-CB 4.16Å; D262-L374 PolarHBondContact N-O 2.6Å; A372-L374 VanDerWaalsContact C-N 3.34Å; L374-L376 HydrophobicContact CD1-CD2 4.38Å; L374-L376 HydrophobicContact CD2-CD2 3.82Å; L374-L376 HydrophobicContact CD2-CG 4.21Å; L374-L376 HydrophobicContact CG-CD2 4.08Å; L374-L376 HydrophobicContact CG-CG 4.39Å; L374-P409 CarbonylContact C-O 3.1Å; L374-P409 VanDerWaalsContact CA-O 3.28Å; L374-P409 WeakPolarHBondContact CA-O 3.41Å; L374-P409 HydrophobicContact CD1-CB 4.5Å; L374-F450 HydrophobicContact CD1-CD2 4.48Å; L374-F450 HydrophobicContact CD1-CE2 4.04Å
375	V	98.8	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.2	170.8	-168.5	0	0	0	0	110.1	D262 V264 L369 A372 F377 A408 P409 L410 C411	D262-V375 HydrophobicContact CB-CB 4.46Å; D262-V375 HydrophobicContact CB-CG1 4.07Å; D262-V375 HydrophobicContact CB-CG2 4.23Å; D262-V375 CarbonylContact O-C 3.21Å; D262-V375 WeakPolarHBondContact O-CA 3.42Å; V264-V375 HydrophobicContact CG2-CG1 3.93Å; L369-V375 HydrophobicContact CD2-CG1 4.4Å; L369-V375 HydrophobicContact CD2-CG2 4.43Å; A372-V375 HydrophobicContact CB-CG2 3.82Å; V375-F377 HydrophobicContact CB-CD2 4.42Å; V375-F377 HydrophobicContact CB-CE2 3.84Å; V375-F377 HydrophobicContact CB-CZ 4.48Å; V375-F377 HydrophobicContact CG1-CD2 3.93Å; V375-F377 HydrophobicContact CG1-CE1 4.41Å; V375-F377 HydrophobicContact CG1-CE2 3.36Å; V375-F377 HydrophobicContact CG1-CZ 3.64Å; V375-A408 HydrophobicContact CG2-CB 4.06Å; V375-P409 PolarHBondContact N-O 3.28Å; V375-L410 HydrophobicContact CB-CB 4.27Å; V375-L410 CarbonylContact O-C 3.57Å; V375-L410 WeakPolarHBondContact O-CA 3.22Å; V375-C411 PolarHBondContact O-N 2.88Å
376	L	98.9	Very high	97.9	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117	173.6	-62.2	-177.7	0	0	0	109.7	V240 V261 D262 I263 V264 L278 L374 C411	V240-L376 HydrophobicContact CG1-CD2 4.44Å; V261-L376 HydrophobicContact CG1-CD1 4.41Å; V261-L376 HydrophobicContact CG1-CG 4.38Å; D262-L376 PolarHBondContact O-N 3.44Å; I263-L376 CarbonylContact C-O 3.56Å; I263-L376 WeakPolarHBondContact CA-O 3.49Å; I263-L376 HydrophobicContact CG1-CB 4.38Å; I263-L376 HydrophobicContact CG1-CD1 4.36Å; V264-L376 PolarHBondContact N-O 3.41Å; L278-L376 HydrophobicContact CD2-CD1 4.08Å; L374-L376 HydrophobicContact CD1-CD2 4.38Å; L374-L376 HydrophobicContact CD2-CD2 3.82Å; L374-L376 HydrophobicContact CD2-CG 4.21Å; L374-L376 HydrophobicContact CG-CD2 4.08Å; L374-L376 HydrophobicContact CG-CG 4.39Å; L376-C411 WeakPolarHBondContact CA-O 3.25Å; L376-C411 HydrophobicContact CD2-CB 3.8Å
377	F	98.9	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.1	175.2	-73	-87.4	0	0	0	110.2	V264 W349 F355 V375 N382 L386 F405 L410 C411 S412 L413	V264-F377 HydrophobicContact CB-CD1 3.71Å; V264-F377 HydrophobicContact CB-CE1 4Å; V264-F377 HydrophobicContact CB-CG 4.44Å; V264-F377 HydrophobicContact CG1-CD1 4.03Å; V264-F377 HydrophobicContact CG1-CE1 4.22Å; V264-F377 HydrophobicContact CG2-CD1 3.82Å; V264-F377 HydrophobicContact CG2-CE1 3.6Å; V264-F377 HydrophobicContact CG2-CZ 4.15Å; W349-F377 HydrophobicContact CH2-CE1 4.2Å; W349-F377 HydrophobicContact CZ3-CE1 4.16Å; F355-F377 HydrophobicContact CD2-CD1 4.38Å; F355-F377 AromaticContact CD2-CE1 3.87Å; F355-F377 HydrophobicContact CD2-CE1 3.87Å; F355-F377 HydrophobicContact CD2-CZ 4.47Å; F355-F377 AromaticContact CE2-CD1 3.65Å; F355-F377 HydrophobicContact CE2-CD1 3.65Å; F355-F377 AromaticContact CE2-CE1 3.41Å; F355-F377 HydrophobicContact CE2-CE1 3.41Å; F355-F377 VanDerWaalsContact CE2-CE1 3.41Å; F355-F377 HydrophobicContact CE2-CZ 4.4Å; F355-F377 HydrophobicContact CZ-CD1 4.47Å; F355-F377 HydrophobicContact CZ-CE1 4.19Å; V375-F377 HydrophobicContact CB-CD2 4.42Å; V375-F377 HydrophobicContact CB-CE2 3.84Å; V375-F377 HydrophobicContact CB-CZ 4.48Å; V375-F377 HydrophobicContact CG1-CD2 3.93Å; V375-F377 HydrophobicContact CG1-CE1 4.41Å; V375-F377 HydrophobicContact CG1-CE2 3.36Å; V375-F377 HydrophobicContact CG1-CZ 3.64Å; F377-N382 HydrophobicContact CB-CB 4.1Å; F377-N382 HydrophobicContact CD1-CB 4.14Å; F377-L386 HydrophobicContact CB-CD1 3.87Å; F377-L386 HydrophobicContact CD1-CD1 4.34Å; F377-L386 HydrophobicContact CD2-CD1 4.06Å; F377-L386 HydrophobicContact CD2-CD2 4.26Å; F377-L386 HydrophobicContact CE1-CD2 4.47Å; F377-L386 HydrophobicContact CE2-CD2 4.14Å; F377-L386 HydrophobicContact CG-CD1 3.84Å; F377-L386 HydrophobicContact CG-CD2 4.48Å; F377-L386 HydrophobicContact CG-CG 4.44Å; F377-L386 HydrophobicContact CZ-CD2 4.26Å; F377-F405 HydrophobicContact CE1-CE1 4.45Å; F377-F405 HydrophobicContact CE2-CE1 4.11Å; F377-F405 AromaticContact CZ-CE1 3.63Å; F377-F405 HydrophobicContact CZ-CE1 3.63Å; F377-F405 AromaticContact CZ-CZ 3.96Å; F377-F405 HydrophobicContact CZ-CZ 3.96Å; F377-L410 HydrophobicContact CD2-CB 4.2Å; F377-L410 HydrophobicContact CE2-CB 3.95Å; F377-L410 HydrophobicContact CE2-CD2 4.23Å; F377-C411 PolarHBondContact N-O 2.75Å; F377-S412 WeakPolarHBondContact O-CA 3.4Å; F377-L413 PolarHBondContact O-N 2.86Å
378	K	98.8	Very high	97.9	Very high	1 Å²	1	19 Å²	19	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	134.2	180	-61.1	-56.3	-49	-54.2	0	111.6	S199 I263 V264 D266 E271 D275 N382 L413	S199-K378 WeakPolarHBondContact O-CE 3.29Å; S199-K378 PolarHBondContact O-NZ 2.82Å; S199-K378 WeakPolarHBondContact OG-CE 3.45Å; S199-K378 PolarHBondContact OG-NZ 2.91Å; I263-K378 HydrophobicContact CG2-CG 4.09Å; V264-K378 WeakPolarHBondContact O-CB 3.3Å; V264-K378 PolarHBondContact O-N 3.24Å; D266-K378 HydrophobicContact CB-CB 3.76Å; E271-K378 IonicContact OE1-NZ 2.86Å; E271-K378 PolarHBondContact OE1-NZ 3.25Å; D275-K378 VanDerWaalsContact CG-NZ 3.26Å; D275-K378 WeakPolarHBondContact OD1-CD 3.47Å; D275-K378 WeakPolarHBondContact OD1-CE 3.46Å; D275-K378 IonicContact OD1-NZ 3Å; D275-K378 PolarHBondContact OD1-NZ 3.48Å; D275-K378 IonicContact OD2-NZ 3.05Å; D275-K378 PolarHBondContact OD2-NZ 3.07Å; K378-N382 WeakPolarHBondContact O-CB 3.33Å; K378-N382 PolarHBondContact O-ND2 3.22Å; K378-L413 HydrophobicContact CD-CB 4.15Å; K378-L413 HydrophobicContact CD-CD1 3.94Å
379	G	97.8	Very high	98	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	78.3	-177	161.5	0	0	0	0	0	118.3	N203 D266 Y383 L413	N203-G379 WeakPolarHBondContact ND2-CA 3.45Å; D266-G379 WeakPolarHBondContact OD2-CA 3.18Å; G379-Y383 PolarHBondContact O-N 2.98Å; G379-L413 PolarHBondContact N-O 3.38Å
380	D	98.2	Very high	97.9	Very high	11 Å²	11	18.3 Å²	18.3	6%	0.059	9%	0.088	C	C	.	.	H	α-helix	trans	-77.1	-41.4	-165.5	-168.1	79.7	0	0	0	112.9	N382 Y383 R384 R414 K417 A418	D380-N382 PolarHBondContact O-N 3.1Å; D380-Y383 PolarHBondContact O-N 3.34Å; D380-R384 VanDerWaalsContact O-CG 3.3Å; D380-R384 WeakPolarHBondContact O-CG 3.4Å; D380-R384 PolarHBondContact O-N 2.68Å; D380-R384 VanDerWaalsContact OD2-CD 3.25Å; D380-R384 WeakPolarHBondContact OD2-CD 3.49Å; D380-R414 IonicContact OD1-CZ 3.83Å; D380-R414 IonicContact OD1-NE 3.95Å; D380-R414 PolarHBondContact OD1-NE 3.16Å; D380-R414 IonicContact OD1-NH2 3.74Å; D380-R414 PolarHBondContact OD1-NH2 3.41Å; D380-K417 HydrophobicContact CB-CB 3.84Å; D380-K417 HydrophobicContact CB-CD 3.99Å; D380-K417 HydrophobicContact CB-CG 3.87Å; D380-K417 PolarHBondContact OD1-N 3.04Å; D380-A418 PolarHBondContact OD1-N 3.31Å; D380-A418 WeakPolarHBondContact OD2-CB 3.48Å
381	L	98.4	Very high	97.9	Very high	10 Å²	10	15.4 Å²	15.4	5%	0.052	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-43.2	178.5	179.9	61.6	0	0	0	111.6	L125 F301 Y383 R384 K385	L125-L381 HydrophobicContact CD1-CD1 3.68Å; F301-L381 HydrophobicContact CD1-CD2 3.93Å; F301-L381 HydrophobicContact CD2-CD2 3.7Å; F301-L381 HydrophobicContact CE1-CD1 3.87Å; F301-L381 HydrophobicContact CE1-CD2 3.97Å; F301-L381 HydrophobicContact CE1-CG 4.43Å; F301-L381 HydrophobicContact CE2-CD1 4.41Å; F301-L381 HydrophobicContact CE2-CD2 3.74Å; F301-L381 HydrophobicContact CG-CD2 3.78Å; F301-L381 HydrophobicContact CZ-CD1 3.78Å; F301-L381 HydrophobicContact CZ-CD2 3.87Å; F301-L381 HydrophobicContact CZ-CG 4.47Å; L381-Y383 VanDerWaalsContact C-N 3.32Å; L381-Y383 PolarHBondContact O-N 2.8Å; L381-R384 PolarHBondContact O-N 3.08Å; L381-K385 HydrophobicContact CD1-CG 4.49Å; L381-K385 PolarHBondContact O-N 2.86Å
382	N	98.8	Very high	98	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-62.2	-40.1	175.4	-76.2	-44.7	0	0	0	111.3	V264 L265 F355 F377 K378 D380 K385 L386	V264-N382 PolarHBondContact O-ND2 3.41Å; L265-N382 PolarHBondContact O-ND2 3.04Å; F355-N382 HydrophobicContact CE2-CB 4.42Å; F355-N382 WeakPolarHBondContact CZ-OD1 3.48Å; F377-N382 HydrophobicContact CB-CB 4.1Å; F377-N382 HydrophobicContact CD1-CB 4.14Å; K378-N382 WeakPolarHBondContact O-CB 3.33Å; K378-N382 PolarHBondContact O-ND2 3.22Å; D380-N382 PolarHBondContact O-N 3.1Å; N382-K385 PolarHBondContact O-N 2.85Å; N382-L386 WeakPolarHBondContact O-CB 3.41Å; N382-L386 VanDerWaalsContact O-CG 3.27Å; N382-L386 WeakPolarHBondContact O-CG 3.49Å; N382-L386 PolarHBondContact O-N 3.24Å
383	Y	98.8	Very high	98.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.6	-41	174.6	-168.5	-87.7	0	0	0	113	G379 D380 L381 K385 L386 T387 F398 S412 R414 V420 Q421 V422 V447 Q449	G379-Y383 PolarHBondContact O-N 2.98Å; D380-Y383 PolarHBondContact O-N 3.34Å; L381-Y383 VanDerWaalsContact C-N 3.32Å; L381-Y383 PolarHBondContact O-N 2.8Å; Y383-K385 VanDerWaalsContact C-N 3.34Å; Y383-L386 WeakPolarHBondContact O-CB 3.11Å; Y383-L386 PolarHBondContact O-N 3.11Å; Y383-T387 HydrophobicContact CD1-CG2 4.04Å; Y383-T387 HydrophobicContact CE1-CG2 3.68Å; Y383-T387 PolarHBondContact O-N 2.95Å; Y383-T387 PolarHBondContact O-OG1 3.11Å; Y383-F398 HydrophobicContact CD2-CE2 4.49Å; Y383-F398 AromaticContact CE2-CE2 3.9Å; Y383-F398 HydrophobicContact CE2-CE2 3.9Å; Y383-F398 HydrophobicContact CE2-CZ 4.45Å; Y383-S412 WeakPolarHBondContact CD2-OG 3.29Å; Y383-R414 HydrophobicContact CD2-CB 4.37Å; Y383-R414 HydrophobicContact CG-CG 4.34Å; Y383-V420 HydrophobicContact CD1-CG1 4.27Å; Y383-V420 HydrophobicContact CE1-CG2 4.49Å; Y383-Q421 PolarHBondContact OH-NE2 3.43Å; Y383-V422 VanDerWaalsContact OH-CG2 3.27Å; Y383-V422 WeakPolarHBondContact OH-CG2 3.44Å; Y383-V422 PolarHBondContact OH-N 2.84Å; Y383-V447 HydrophobicContact CE2-CG2 4.24Å; Y383-Q449 PolarHBondContact OH-OE1 3.22Å
384	R	98.8	Very high	98.2	Very high	6 Å²	6	11 Å²	11	2%	0.023	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-45	174.5	-70.3	168.4	64.7	-156.8	-3.7	110.5	W124 E128 D380 L381 T387 G388 D389 A418 V420	W124-R384 VanDerWaalsContact CD2-NH2 3.27Å; E128-R384 IonicContact OE2-CZ 3.22Å; E128-R384 IonicContact OE2-NH1 3.64Å; E128-R384 PolarHBondContact OE2-NH1 3.29Å; E128-R384 IonicContact OE2-NH2 2.63Å; E128-R384 PolarHBondContact OE2-NH2 2.71Å; E128-R384 VanDerWaalsContact OE2-NH2 3.11Å; D380-R384 VanDerWaalsContact O-CG 3.3Å; D380-R384 WeakPolarHBondContact O-CG 3.4Å; D380-R384 PolarHBondContact O-N 2.68Å; D380-R384 VanDerWaalsContact OD2-CD 3.25Å; D380-R384 WeakPolarHBondContact OD2-CD 3.49Å; L381-R384 PolarHBondContact O-N 3.08Å; R384-T387 CarbonylContact O-C 3.51Å; R384-T387 PolarHBondContact O-N 3.48Å; R384-T387 PolarHBondContact O-OG1 3.13Å; R384-G388 CarbonylContact O-C 3.52Å; R384-G388 WeakPolarHBondContact O-CA 3.47Å; R384-G388 PolarHBondContact O-N 2.87Å; R384-D389 HydrophobicContact CB-CB 4.24Å; R384-D389 WeakPolarHBondContact CG-OD1 3.36Å; R384-D389 IonicContact CZ-OD1 2.68Å; R384-D389 IonicContact CZ-OD2 3.52Å; R384-D389 IonicContact NE-OD1 3.89Å; R384-D389 PolarHBondContact NE-OD1 2.8Å; R384-D389 IonicContact NE-OD2 2.98Å; R384-D389 IonicContact NH2-OD1 2.71Å; R384-D389 IonicContact NH2-OD2 3.06Å; R384-D389 PolarHBondContact NH2-OD2 2.89Å; R384-D389 PolarHBondContact O-N 2.95Å; R384-A418 HydrophobicContact CG-CB 3.94Å; R384-V420 HydrophobicContact CG-CG1 3.9Å
385	K	98.8	Very high	98.2	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-66.5	-36.7	175.7	-72.8	-165.7	170.6	-170.8	0	113.5	L125 W349 Q351 F355 L381 N382 Y383 T387 G388	L125-K385 HydrophobicContact CD1-CG 3.96Å; L125-K385 HydrophobicContact CD2-CG 4.12Å; W349-K385 PolarHBondContact O-NZ 3.37Å; Q351-K385 WeakPolarHBondContact O-CE 3.29Å; Q351-K385 PolarHBondContact O-NZ 2.85Å; F355-K385 HydrophobicContact CD1-CB 3.62Å; F355-K385 HydrophobicContact CD1-CD 3.94Å; F355-K385 HydrophobicContact CD1-CG 4.4Å; F355-K385 HydrophobicContact CD2-CB 3.94Å; F355-K385 HydrophobicContact CE1-CB 3.56Å; F355-K385 HydrophobicContact CE1-CD 3.3Å; F355-K385 HydrophobicContact CE1-CG 4.07Å; F355-K385 HydrophobicContact CE2-CB 3.8Å; F355-K385 HydrophobicContact CG-CB 3.85Å; F355-K385 HydrophobicContact CZ-CB 3.62Å; F355-K385 HydrophobicContact CZ-CD 3.76Å; F355-K385 HydrophobicContact CZ-CG 4.32Å; F355-K385 PolarHBondContact N-O 3.08Å; L381-K385 HydrophobicContact CD1-CG 4.49Å; L381-K385 PolarHBondContact O-N 2.86Å; N382-K385 PolarHBondContact O-N 2.85Å; Y383-K385 VanDerWaalsContact C-N 3.34Å; K385-T387 VanDerWaalsContact C-N 3.31Å; K385-T387 PolarHBondContact O-N 3.45Å; K385-G388 PolarHBondContact O-N 3.12Å
386	L	98.8	Very high	98.1	Very high	2 Å²	2	15 Å²	15	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-60.7	-40.1	172.8	-78.8	166.9	0	0	0	111.8	F355 F377 N382 Y383 F398 L402 F405 L410	F355-L386 HydrophobicContact CD2-CB 4.38Å; F355-L386 HydrophobicContact CD2-CD2 3.68Å; F355-L386 HydrophobicContact CD2-CG 3.67Å; F355-L386 HydrophobicContact CE2-CD2 4.39Å; F355-L386 HydrophobicContact CE2-CG 4.06Å; F377-L386 HydrophobicContact CB-CD1 3.87Å; F377-L386 HydrophobicContact CD1-CD1 4.34Å; F377-L386 HydrophobicContact CD2-CD1 4.06Å; F377-L386 HydrophobicContact CD2-CD2 4.26Å; F377-L386 HydrophobicContact CE1-CD2 4.47Å; F377-L386 HydrophobicContact CE2-CD2 4.14Å; F377-L386 HydrophobicContact CG-CD1 3.84Å; F377-L386 HydrophobicContact CG-CD2 4.48Å; F377-L386 HydrophobicContact CG-CG 4.44Å; F377-L386 HydrophobicContact CZ-CD2 4.26Å; N382-L386 WeakPolarHBondContact O-CB 3.41Å; N382-L386 VanDerWaalsContact O-CG 3.27Å; N382-L386 WeakPolarHBondContact O-CG 3.49Å; N382-L386 PolarHBondContact O-N 3.24Å; Y383-L386 WeakPolarHBondContact O-CB 3.11Å; Y383-L386 PolarHBondContact O-N 3.11Å; L386-F398 HydrophobicContact CD1-CZ 4.37Å; L386-L402 HydrophobicContact CB-CD2 3.93Å; L386-L402 HydrophobicContact CD2-CD2 3.59Å; L386-L402 HydrophobicContact CG-CD2 4.29Å; L386-F405 HydrophobicContact CD2-CD1 3.57Å; L386-F405 HydrophobicContact CD2-CE1 3.65Å; L386-L410 HydrophobicContact CD2-CD2 4.36Å
387	T	98.6	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	5.7	-175.7	57.9	0	0	0	0	113.8	Y383 R384 K385 D389 W392 F398 A401 V420 V422	Y383-T387 HydrophobicContact CD1-CG2 4.04Å; Y383-T387 HydrophobicContact CE1-CG2 3.68Å; Y383-T387 PolarHBondContact O-N 2.95Å; Y383-T387 PolarHBondContact O-OG1 3.11Å; R384-T387 CarbonylContact O-C 3.51Å; R384-T387 PolarHBondContact O-N 3.48Å; R384-T387 PolarHBondContact O-OG1 3.13Å; K385-T387 VanDerWaalsContact C-N 3.31Å; K385-T387 PolarHBondContact O-N 3.45Å; T387-D389 PolarHBondContact O-N 3.08Å; T387-W392 PolarHBondContact O-NE1 3.12Å; T387-F398 HydrophobicContact CG2-CE2 4.19Å; T387-A401 WeakPolarHBondContact CA-O 3.47Å; T387-A401 HydrophobicContact CG2-CB 3.98Å; T387-V420 WeakPolarHBondContact OG1-CG2 3.32Å; T387-V422 HydrophobicContact CG2-CG2 4.26Å
388	G	97.9	Very high	98	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.021	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	12.6	-178.9	0	0	0	0	0	116	E354 R384 K385 R390	E354-G388 WeakPolarHBondContact OE2-CA 3.35Å; R384-G388 CarbonylContact O-C 3.52Å; R384-G388 WeakPolarHBondContact O-CA 3.47Å; R384-G388 PolarHBondContact O-N 2.87Å; K385-G388 PolarHBondContact O-N 3.12Å; G388-R390 WeakPolarHBondContact O-CD 3.36Å; G388-R390 WeakPolarHBondContact O-CG 3.49Å; G388-R390 PolarHBondContact O-N 2.88Å; G388-R390 PolarHBondContact O-NE 3.36Å
389	D	98.1	Very high	97.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	43.8	-176.2	-156	39.8	0	0	0	111.7	S19 L20 L125 R384 T387	S19-D389 WeakPolarHBondContact CA-O 3.18Å; L20-D389 WeakPolarHBondContact CG-O 3.44Å; L20-D389 PolarHBondContact N-O 3.21Å; L125-D389 HydrophobicContact CB-CB 3.83Å; L125-D389 HydrophobicContact CD2-CB 4.23Å; L125-D389 PolarHBondContact N-OD2 2.76Å; L125-D389 VanDerWaalsContact N-OD2 3.14Å; R384-D389 HydrophobicContact CB-CB 4.24Å; R384-D389 WeakPolarHBondContact CG-OD1 3.36Å; R384-D389 IonicContact CZ-OD1 2.68Å; R384-D389 IonicContact CZ-OD2 3.52Å; R384-D389 IonicContact NE-OD1 3.89Å; R384-D389 PolarHBondContact NE-OD1 2.8Å; R384-D389 IonicContact NE-OD2 2.98Å; R384-D389 IonicContact NH2-OD1 2.71Å; R384-D389 IonicContact NH2-OD2 3.06Å; R384-D389 PolarHBondContact NH2-OD2 2.89Å; R384-D389 PolarHBondContact O-N 2.95Å; T387-D389 PolarHBondContact O-N 3.08Å
390	R	97.3	Very high	97.8	Very high	35 Å²	35	26 Å²	26	13%	0.132	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-103.8	156	-174.7	-48.2	-56.4	-173.7	134.3	-13.7	112.5	V16 P17 S19 E354 G388 W392	V16-R390 HydrophobicContact CG1-CG 4.5Å; P17-R390 HydrophobicContact CB-CB 4.29Å; P17-R390 PolarHBondContact O-NH1 3Å; S19-R390 PolarHBondContact OG-NE 2.82Å; S19-R390 PolarHBondContact OG-NH1 3.26Å; S19-R390 VanDerWaalsContact OG-NH1 3.11Å; E354-R390 IonicContact OE1-CZ 3.84Å; E354-R390 VanDerWaalsContact OE1-CZ 3.22Å; E354-R390 IonicContact OE1-NE 3.82Å; E354-R390 PolarHBondContact OE1-NE 2.85Å; E354-R390 IonicContact OE1-NH2 3.16Å; E354-R390 PolarHBondContact OE1-NH2 2.84Å; E354-R390 IonicContact OE2-NE 2.63Å; E354-R390 IonicContact OE2-NH2 2.72Å; G388-R390 WeakPolarHBondContact O-CD 3.36Å; G388-R390 WeakPolarHBondContact O-CG 3.49Å; G388-R390 PolarHBondContact O-N 2.88Å; G388-R390 PolarHBondContact O-NE 3.36Å; R390-W392 HydrophobicContact CB-CG 4.43Å; R390-W392 PolarHBondContact O-N 3.44Å
391	A	96.8	Very high	97.8	Very high	51 Å²	51	25.5 Å²	25.5	42%	0.421	16%	0.156	S	C	.	.			trans	-75.4	57.8	176.1	0	0	0	0	0	112.8	P17 S18 L20	P17-A391 HydrophobicContact CB-CB 4.45Å; S18-A391 PolarHBondContact O-N 3.08Å; L20-A391 HydrophobicContact CD2-CB 4.15Å
392	W	97.5	Very high	97.8	Very high	19 Å²	19	25 Å²	25	7%	0.072	15%	0.153	C	C	.	.			trans	-65.7	146.8	176.4	-64.5	109.8	0	0	0	112.2	P17 T387 R390 V396 T400 A401 R403 V422	P17-W392 VanDerWaalsContact CD-CE3 3.44Å; P17-W392 VanDerWaalsContact CD-CH2 3.47Å; P17-W392 HydrophobicContact CG-CD2 3.86Å; P17-W392 HydrophobicContact CG-CE3 3.49Å; P17-W392 VanDerWaalsContact CG-CE3 3.49Å; P17-W392 HydrophobicContact CG-CG 4.46Å; P17-W392 HydrophobicContact CG-CH2 4.44Å; P17-W392 HydrophobicContact CG-CZ3 3.83Å; T387-W392 PolarHBondContact O-NE1 3.12Å; R390-W392 HydrophobicContact CB-CG 4.43Å; R390-W392 PolarHBondContact O-N 3.44Å; W392-V396 HydrophobicContact CD2-CG1 4.44Å; W392-V396 HydrophobicContact CE3-CB 4.47Å; W392-V396 HydrophobicContact CE3-CG1 3.86Å; W392-V396 HydrophobicContact CE3-CG2 4.23Å; W392-V396 HydrophobicContact CZ3-CG1 4.29Å; W392-T400 HydrophobicContact CZ3-CG2 4.4Å; W392-A401 HydrophobicContact CD2-CB 4.37Å; W392-A401 HydrophobicContact CG-CB 4.5Å; W392-R403 HydrophobicContact CH2-CG 4.36Å; W392-R403 HydrophobicContact CZ2-CG 4Å; W392-V422 HydrophobicContact CB-CG1 3.39Å; W392-V422 HydrophobicContact CG-CG1 3.82Å
393	G	96.9	Very high	97.7	Very high	41 Å²	41	29 Å²	29	42%	0.423	17%	0.168	S	C	.	.			trans	-65.5	144.2	165.2	0	0	0	0	0	110.9	T395 V396	G393-T395 PolarHBondContact O-N 3.28Å; G393-T395 VanDerWaalsContact O-N 3.14Å; G393-V396 WeakPolarHBondContact O-CB 3.3Å; G393-V396 VanDerWaalsContact O-CG2 3.31Å; G393-V396 WeakPolarHBondContact O-CG2 3.43Å; G393-V396 PolarHBondContact O-N 2.9Å
394	H	97.6	Very high	97.6	Very high	45 Å²	45	31.6 Å²	31.6	21%	0.208	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.2	-173.8	-66.9	-43.2	0	0	0	114.8	Q421 V422 G423 L424	H394-Q421 WeakPolarHBondContact CA-O 3.32Å; H394-Q421 PolarHBondContact ND1-O 2.81Å; H394-V422 CarbonylContact O-C 3.34Å; H394-V422 WeakPolarHBondContact O-CA 3.4Å; H394-G423 PolarHBondContact O-N 3.01Å; H394-G423 VanDerWaalsContact O-N 3.08Å; H394-L424 HydrophobicContact CB-CB 4.37Å; H394-L424 HydrophobicContact CB-CD1 4.2Å; H394-L424 HydrophobicContact CB-CG 4.49Å; H394-L424 WeakPolarHBondContact O-CB 3.35Å; H394-L424 PolarHBondContact O-N 3.09Å
395	T	97.7	Very high	97.5	Very high	69 Å²	69	31.4 Å²	31.4	42%	0.423	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	0.2	-179.8	59.3	0	0	0	0	113.5	G393 D397 P426	G393-T395 PolarHBondContact O-N 3.28Å; G393-T395 VanDerWaalsContact O-N 3.14Å; T395-D397 PolarHBondContact O-N 2.79Å; T395-P426 HydrophobicContact CG2-CB 4.41Å; T395-P426 HydrophobicContact CG2-CG 4.29Å
396	V	97.9	Very high	97.4	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.085	21%	0.213	C	C	.	.	S	Bend	trans	-60.9	134.3	174.9	172.1	0	0	0	0	108.5	W392 G393 T400 V422 G423	W392-V396 HydrophobicContact CD2-CG1 4.44Å; W392-V396 HydrophobicContact CE3-CB 4.47Å; W392-V396 HydrophobicContact CE3-CG1 3.86Å; W392-V396 HydrophobicContact CE3-CG2 4.23Å; W392-V396 HydrophobicContact CZ3-CG1 4.29Å; G393-V396 WeakPolarHBondContact O-CB 3.3Å; G393-V396 VanDerWaalsContact O-CG2 3.31Å; G393-V396 WeakPolarHBondContact O-CG2 3.43Å; G393-V396 PolarHBondContact O-N 2.9Å; V396-T400 HydrophobicContact CG1-CG2 3.91Å; V396-V422 HydrophobicContact CB-CG1 4.4Å; V396-V422 WeakPolarHBondContact O-CB 3.24Å; V396-G423 WeakPolarHBondContact O-CA 3.27Å; V396-G423 PolarHBondContact O-N 2.98Å
397	D	96.4	Very high	97.3	Very high	108 Å²	108	35.8 Å²	35.8	58%	0.578	22%	0.215	S	C	*	.			trans	-64.1	143.4	-180	-65.8	-40.8	0	0	0	111.3	T395 C399 T400 A401	T395-D397 PolarHBondContact O-N 2.79Å; D397-C399 VanDerWaalsContact C-N 3.29Å; D397-C399 PolarHBondContact O-N 3.09Å; D397-T400 WeakPolarHBondContact O-CB 3.43Å; D397-T400 PolarHBondContact O-N 3Å; D397-A401 PolarHBondContact O-N 3.37Å; D397-A401 VanDerWaalsContact O-N 3.13Å
398	F	97.8	Very high	97.2	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.053	22%	0.221	C	C	.	.	H	α-helix	trans	-57.4	-42.5	-179.5	-173.3	-138.3	0	0	0	112.1	Y383 L386 T387 T400 A401 L402 L410 V422 Q449 H451	Y383-F398 HydrophobicContact CD2-CE2 4.49Å; Y383-F398 AromaticContact CE2-CE2 3.9Å; Y383-F398 HydrophobicContact CE2-CE2 3.9Å; Y383-F398 HydrophobicContact CE2-CZ 4.45Å; L386-F398 HydrophobicContact CD1-CZ 4.37Å; T387-F398 HydrophobicContact CG2-CE2 4.19Å; F398-T400 VanDerWaalsContact C-N 3.29Å; F398-T400 PolarHBondContact O-N 2.9Å; F398-A401 PolarHBondContact O-N 3.32Å; F398-L402 HydrophobicContact CD1-CD1 4.37Å; F398-L402 HydrophobicContact CD2-CG 4.45Å; F398-L402 HydrophobicContact CE1-CD1 4.3Å; F398-L402 HydrophobicContact CE1-CD2 4.5Å; F398-L402 HydrophobicContact CE2-CD2 4.01Å; F398-L402 HydrophobicContact CE2-CG 4.31Å; F398-L402 HydrophobicContact CZ-CD2 3.95Å; F398-L402 HydrophobicContact CZ-CG 4.39Å; F398-L402 WeakPolarHBondContact O-CG 3.01Å; F398-L402 PolarHBondContact O-N 3.01Å; F398-L410 HydrophobicContact CE1-CD1 3.74Å; F398-L410 HydrophobicContact CZ-CD1 4.07Å; F398-V422 HydrophobicContact CB-CG2 4.46Å; F398-V422 HydrophobicContact CD2-CG2 3.85Å; F398-Q449 HydrophobicContact CB-CG 4.17Å; F398-Q449 HydrophobicContact CD1-CB 4.5Å; F398-Q449 HydrophobicContact CD1-CG 3.65Å; F398-Q449 HydrophobicContact CD2-CG 4.31Å; F398-Q449 HydrophobicContact CE1-CB 4.42Å; F398-Q449 HydrophobicContact CE1-CG 4.05Å; F398-Q449 HydrophobicContact CG-CG 3.8Å; F398-H451 HydrophobicContact CD1-CB 3.86Å; F398-H451 HydrophobicContact CE1-CB 4.08Å
399	C	96.1	Very high	97.1	Very high	53 Å²	53	37.6 Å²	37.6	36%	0.358	23%	0.228	S	C	.	.	H	α-helix	trans	-53.6	-42.6	172.9	174.2	0	0	0	0	112.9	D397 A401 L402 E406 H451	D397-C399 VanDerWaalsContact C-N 3.29Å; D397-C399 PolarHBondContact O-N 3.09Å; C399-A401 VanDerWaalsContact C-N 3.35Å; C399-A401 PolarHBondContact O-N 2.91Å; C399-L402 PolarHBondContact O-N 2.77Å; C399-E406 PolarHBondContact SG-OE1 2.89Å; C399-H451 VanDerWaalsContact CB-CE1 3.46Å; C399-H451 WeakPolarHBondContact CB-CE1 3.5Å; C399-H451 VanDerWaalsContact SG-CE1 3.55Å
400	T	96.9	Very high	97.2	Very high	62 Å²	62	37.6 Å²	37.6	38%	0.38	23%	0.228	S	C	.	.	H	α-helix	trans	-65.4	-41.8	177.8	-62	0	0	0	0	110.9	W392 V396 D397 F398 L402 R403	W392-T400 HydrophobicContact CZ3-CG2 4.4Å; V396-T400 HydrophobicContact CG1-CG2 3.91Å; D397-T400 WeakPolarHBondContact O-CB 3.43Å; D397-T400 PolarHBondContact O-N 3Å; F398-T400 VanDerWaalsContact C-N 3.29Å; F398-T400 PolarHBondContact O-N 2.9Å; T400-L402 VanDerWaalsContact C-N 3.3Å; T400-L402 PolarHBondContact O-N 3.46Å; T400-R403 PolarHBondContact O-N 2.68Å
401	A	98	Very high	97.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.3	-25.3	179.2	0	0	0	0	0	113.5	T387 W392 D397 F398 C399 R403 V422	T387-A401 WeakPolarHBondContact CA-O 3.47Å; T387-A401 HydrophobicContact CG2-CB 3.98Å; W392-A401 HydrophobicContact CD2-CB 4.37Å; W392-A401 HydrophobicContact CG-CB 4.5Å; D397-A401 PolarHBondContact O-N 3.37Å; D397-A401 VanDerWaalsContact O-N 3.13Å; F398-A401 PolarHBondContact O-N 3.32Å; C399-A401 VanDerWaalsContact C-N 3.35Å; C399-A401 PolarHBondContact O-N 2.91Å; A401-R403 PolarHBondContact O-N 2.9Å; A401-V422 HydrophobicContact CB-CB 4.34Å; A401-V422 HydrophobicContact CB-CG1 4.05Å; A401-V422 HydrophobicContact CB-CG2 3.81Å
402	L	98.1	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.3	172.8	-69.4	173.7	0	0	0	113.1	L386 F398 C399 T400 G404 F405 L410 H451	L386-L402 HydrophobicContact CB-CD2 3.93Å; L386-L402 HydrophobicContact CD2-CD2 3.59Å; L386-L402 HydrophobicContact CG-CD2 4.29Å; F398-L402 HydrophobicContact CD1-CD1 4.37Å; F398-L402 HydrophobicContact CD2-CG 4.45Å; F398-L402 HydrophobicContact CE1-CD1 4.3Å; F398-L402 HydrophobicContact CE1-CD2 4.5Å; F398-L402 HydrophobicContact CE2-CD2 4.01Å; F398-L402 HydrophobicContact CE2-CG 4.31Å; F398-L402 HydrophobicContact CZ-CD2 3.95Å; F398-L402 HydrophobicContact CZ-CG 4.39Å; F398-L402 WeakPolarHBondContact O-CG 3.01Å; F398-L402 PolarHBondContact O-N 3.01Å; C399-L402 PolarHBondContact O-N 2.77Å; T400-L402 VanDerWaalsContact C-N 3.3Å; T400-L402 PolarHBondContact O-N 3.46Å; L402-G404 PolarHBondContact O-N 2.96Å; L402-G404 VanDerWaalsContact O-N 3.14Å; L402-F405 VanDerWaalsContact O-CB 3.28Å; L402-F405 WeakPolarHBondContact O-CB 3.19Å; L402-F405 PolarHBondContact O-N 2.94Å; L402-L410 HydrophobicContact CD1-CD1 4.2Å; L402-L410 HydrophobicContact CD1-CD2 4.31Å; L402-L410 HydrophobicContact CD2-CD1 4.42Å; L402-H451 HydrophobicContact CD1-CB 3.73Å; L402-H451 WeakPolarHBondContact CD1-CD2 3.16Å
403	R	97.1	Very high	97.4	Very high	88 Å²	88	32.6 Å²	32.6	33%	0.332	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	39.6	174.9	-61.9	175.3	60.7	-159.3	-10	113.5	E354 C356 W392 T400 A401	E354-R403 IonicContact OE2-CZ 2.77Å; E354-R403 IonicContact OE2-NH1 2.88Å; E354-R403 PolarHBondContact OE2-NH1 3.47Å; C356-R403 HydrophobicContact CB-CB 3.83Å; W392-R403 HydrophobicContact CH2-CG 4.36Å; W392-R403 HydrophobicContact CZ2-CG 4Å; T400-R403 PolarHBondContact O-N 2.68Å; A401-R403 PolarHBondContact O-N 2.9Å
404	G	95.6	Very high	97.4	Very high	54 Å²	54	30.6 Å²	30.6	56%	0.557	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	3.5	179.6	0	0	0	0	0	115.2	L402 E406	L402-G404 PolarHBondContact O-N 2.96Å; L402-G404 VanDerWaalsContact O-N 3.14Å; G404-E406 PolarHBondContact O-N 3.45Å
405	F	97.9	Very high	97.4	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	17%	0.168	C	C	.	.			trans	-73.4	92.2	169.2	-175.1	-106	0	0	0	110.8	F355 M358 Y366 L369 F377 L386 L402 P407 L410	F355-F405 HydrophobicContact CB-CD1 3.96Å; F355-F405 HydrophobicContact CB-CD2 3.91Å; F355-F405 HydrophobicContact CB-CE1 4.05Å; F355-F405 HydrophobicContact CB-CE2 4Å; F355-F405 HydrophobicContact CB-CG 3.87Å; F355-F405 HydrophobicContact CB-CZ 4.06Å; F355-F405 HydrophobicContact CD2-CE1 4.19Å; F355-F405 HydrophobicContact CD2-CZ 4.44Å; F355-F405 HydrophobicContact CG-CE1 4.49Å; F355-F405 HydrophobicContact CG-CZ 4.44Å; F355-F405 WeakPolarHBondContact O-CD2 3.48Å; F355-F405 WeakPolarHBondContact O-CE2 3.06Å; M358-F405 HydrophobicContact CB-CD2 4.44Å; M358-F405 HydrophobicContact CB-CE2 4.05Å; M358-F405 HydrophobicContact CE-CE2 3.72Å; M358-F405 HydrophobicContact CE-CZ 3.82Å; M358-F405 HydrophobicContact SD-CE2 3.75Å; M358-F405 HydrophobicContact SD-CZ 4.23Å; Y366-F405 HydrophobicContact CD2-CD2 4.25Å; Y366-F405 AromaticContact CD2-CE2 3.96Å; Y366-F405 HydrophobicContact CD2-CE2 3.96Å; Y366-F405 AromaticContact CE2-CD2 3.76Å; Y366-F405 HydrophobicContact CE2-CD2 3.76Å; Y366-F405 AromaticContact CE2-CE2 3.83Å; Y366-F405 HydrophobicContact CE2-CE2 3.83Å; L369-F405 HydrophobicContact CD1-CZ 4.19Å; F377-F405 HydrophobicContact CE1-CE1 4.45Å; F377-F405 HydrophobicContact CE2-CE1 4.11Å; F377-F405 AromaticContact CZ-CE1 3.63Å; F377-F405 HydrophobicContact CZ-CE1 3.63Å; F377-F405 AromaticContact CZ-CZ 3.96Å; F377-F405 HydrophobicContact CZ-CZ 3.96Å; L386-F405 HydrophobicContact CD2-CD1 3.57Å; L386-F405 HydrophobicContact CD2-CE1 3.65Å; L402-F405 VanDerWaalsContact O-CB 3.28Å; L402-F405 WeakPolarHBondContact O-CB 3.19Å; L402-F405 PolarHBondContact O-N 2.94Å; F405-P407 HydrophobicContact CE1-CG 4.02Å; F405-P407 HydrophobicContact CE2-CG 4Å; F405-P407 HydrophobicContact CZ-CG 3.7Å; F405-L410 HydrophobicContact CD1-CD2 4.05Å; F405-L410 HydrophobicContact CE1-CD2 4.12Å
406	E	96.2	Very high	97.4	Very high	86 Å²	86	25.2 Å²	25.2	40%	0.402	15%	0.148	S	C	.	.			trans	-139.3	59	-176.2	-56.8	-175.5	166.6	0	0	110.7	Y366 C399 G404 A408 H451	Y366-E406 PolarHBondContact OH-N 3.33Å; C399-E406 PolarHBondContact SG-OE1 2.89Å; G404-E406 PolarHBondContact O-N 3.45Å; E406-A408 VanDerWaalsContact C-N 3.32Å; E406-A408 PolarHBondContact O-N 3.2Å; E406-H451 IonicContact OE1-CD2 3.34Å; E406-H451 IonicContact OE1-CE1 3.48Å; E406-H451 PolarHBondContact OE1-CE1 2.9Å; E406-H451 IonicContact OE1-NE2 2.73Å; E406-H451 PolarHBondContact OE1-NE2 2.92Å; E406-H451 IonicContact OE2-NE2 3.82Å
407	P	96.5	Very high	97.2	Very high	10 Å²	10	25 Å²	25	7%	0.065	15%	0.146	C	C	.	.	S	Bend	trans	-64.9	-38.7	-178.7	26.1	-33.6	0	0	0	111.7	Y366 L369 Q370 F405	Y366-P407 HydrophobicContact CD2-CB 4.25Å; Y366-P407 HydrophobicContact CE1-CB 4.33Å; Y366-P407 HydrophobicContact CE2-CB 3.86Å; Y366-P407 HydrophobicContact CE2-CG 4.25Å; L369-P407 HydrophobicContact CB-CB 3.73Å; L369-P407 HydrophobicContact CB-CG 4.05Å; L369-P407 HydrophobicContact CD1-CG 4.33Å; Q370-P407 WeakPolarHBondContact CA-O 3.35Å; Q370-P407 HydrophobicContact CG-CB 4.05Å; Q370-P407 WeakPolarHBondContact CG-O 3.39Å; F405-P407 HydrophobicContact CE1-CG 4.02Å; F405-P407 HydrophobicContact CE2-CG 4Å; F405-P407 HydrophobicContact CZ-CG 3.7Å
408	A	96.3	Very high	97.2	Very high	13 Å²	13	19.9 Å²	19.9	11%	0.107	12%	0.118	C	C	.	.	S	Bend	trans	-155.9	171.8	-178.7	0	0	0	0	0	108.7	L369 A372 V375 E406 L410	L369-A408 WeakPolarHBondContact O-CB 3.32Å; A372-A408 HydrophobicContact CB-CB 4.26Å; A372-A408 VanDerWaalsContact O-CB 3.29Å; A372-A408 WeakPolarHBondContact O-CB 3.49Å; V375-A408 HydrophobicContact CG2-CB 4.06Å; E406-A408 VanDerWaalsContact C-N 3.32Å; E406-A408 PolarHBondContact O-N 3.2Å; A408-L410 PolarHBondContact O-N 3.09Å
409	P	97.3	Very high	97	Very high	27 Å²	27	21.8 Å²	21.8	18%	0.175	13%	0.129	C	C	.	.			trans	-49.6	132.2	164.1	-22.9	32.2	0	0	0	109.9	T243 N373 L374 V375 F450 H451	T243-P409 HydrophobicContact CG2-CB 4.21Å; T243-P409 HydrophobicContact CG2-CG 4.45Å; N373-P409 WeakPolarHBondContact O-CG 3.49Å; L374-P409 CarbonylContact C-O 3.1Å; L374-P409 VanDerWaalsContact CA-O 3.28Å; L374-P409 WeakPolarHBondContact CA-O 3.41Å; L374-P409 HydrophobicContact CD1-CB 4.5Å; V375-P409 PolarHBondContact N-O 3.28Å; P409-F450 HydrophobicContact CB-CE2 4.11Å; P409-F450 HydrophobicContact CB-CZ 4.02Å; P409-H451 CarbonylContact C-O 3.57Å; P409-H451 WeakPolarHBondContact CA-O 3.35Å
410	L	98.4	Very high	97.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.9	-176	64.9	82.6	0	0	0	111.7	V375 F377 L386 F398 L402 F405 A408 F450 H451	V375-L410 HydrophobicContact CB-CB 4.27Å; V375-L410 CarbonylContact O-C 3.57Å; V375-L410 WeakPolarHBondContact O-CA 3.22Å; F377-L410 HydrophobicContact CD2-CB 4.2Å; F377-L410 HydrophobicContact CE2-CB 3.95Å; F377-L410 HydrophobicContact CE2-CD2 4.23Å; L386-L410 HydrophobicContact CD2-CD2 4.36Å; F398-L410 HydrophobicContact CE1-CD1 3.74Å; F398-L410 HydrophobicContact CZ-CD1 4.07Å; L402-L410 HydrophobicContact CD1-CD1 4.2Å; L402-L410 HydrophobicContact CD1-CD2 4.31Å; L402-L410 HydrophobicContact CD2-CD1 4.42Å; F405-L410 HydrophobicContact CD1-CD2 4.05Å; F405-L410 HydrophobicContact CE1-CD2 4.12Å; A408-L410 PolarHBondContact O-N 3.09Å; L410-F450 WeakPolarHBondContact O-CA 3.41Å; L410-F450 VanDerWaalsContact O-CD2 3.29Å; L410-F450 WeakPolarHBondContact O-CD2 3.43Å; L410-H451 HydrophobicContact CD1-CB 4.08Å; L410-H451 HydrophobicContact CG-CB 4.34Å; L410-H451 PolarHBondContact N-O 3.38Å; L410-H451 PolarHBondContact O-N 2.98Å; L410-H451 VanDerWaalsContact O-O 3.11Å
411	C	98.8	Very high	97.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.5	172.9	-172.9	0	0	0	0	109.4	V240 V375 L376 F377 Q449 F450	V240-C411 HydrophobicContact CG2-CB 3.91Å; V375-C411 PolarHBondContact O-N 2.88Å; L376-C411 WeakPolarHBondContact CA-O 3.25Å; L376-C411 HydrophobicContact CD2-CB 3.8Å; F377-C411 PolarHBondContact N-O 2.75Å; C411-Q449 CarbonylContact C-O 3.58Å; C411-Q449 WeakPolarHBondContact CA-O 3.45Å; C411-F450 HydrophobicContact CB-CD2 4.19Å
412	S	98.8	Very high	97.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.4	167.6	-172.2	0	0	0	0	110.6	F377 Y383 I448 Q449	F377-S412 WeakPolarHBondContact O-CA 3.4Å; Y383-S412 WeakPolarHBondContact CD2-OG 3.29Å; S412-I448 WeakPolarHBondContact O-CA 3.31Å; S412-Q449 PolarHBondContact N-O 2.88Å; S412-Q449 PolarHBondContact O-N 3.15Å
413	L	98.7	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	92.9	172.5	-56.3	-178.3	0	0	0	107.9	L196 L200 F377 K378 G379 I448	L196-L413 HydrophobicContact CD1-CD1 3.67Å; L196-L413 HydrophobicContact CD1-CD2 3.97Å; L196-L413 HydrophobicContact CD1-CG 4.46Å; L196-L413 HydrophobicContact CG-CD1 4.44Å; L196-L413 HydrophobicContact CG-CD2 4.15Å; L200-L413 VanDerWaalsContact CD1-C 3.4Å; L200-L413 HydrophobicContact CD1-CB 4Å; F377-L413 PolarHBondContact O-N 2.86Å; K378-L413 HydrophobicContact CD-CB 4.15Å; K378-L413 HydrophobicContact CD-CD1 3.94Å; G379-L413 PolarHBondContact N-O 3.38Å; L413-I448 HydrophobicContact CD2-CB 4.27Å; L413-I448 HydrophobicContact CD2-CG1 3.98Å; L413-I448 HydrophobicContact CD2-CG2 3.82Å
414	R	98.1	Very high	97.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.5	-167	179.2	-153.9	-175.2	-166.6	0.7	112.3	D380 Y383 A418 V420 Q421 A446 V447	D380-R414 IonicContact OD1-CZ 3.83Å; D380-R414 IonicContact OD1-NE 3.95Å; D380-R414 PolarHBondContact OD1-NE 3.16Å; D380-R414 IonicContact OD1-NH2 3.74Å; D380-R414 PolarHBondContact OD1-NH2 3.41Å; Y383-R414 HydrophobicContact CD2-CB 4.37Å; Y383-R414 HydrophobicContact CG-CG 4.34Å; R414-A418 PolarHBondContact NH2-O 3.19Å; R414-V420 VanDerWaalsContact CZ-O 3.26Å; R414-V420 PolarHBondContact NH1-O 3.18Å; R414-V420 PolarHBondContact NH2-O 3.45Å; R414-Q421 VanDerWaalsContact NH1-OE1 3.16Å; R414-A446 CarbonylContact O-C 3.03Å; R414-A446 WeakPolarHBondContact O-CA 3.1Å; R414-A446 VanDerWaalsContact O-CB 3.28Å; R414-A446 WeakPolarHBondContact O-CB 3.46Å; R414-V447 HydrophobicContact CB-CG2 3.92Å; R414-V447 PolarHBondContact N-O 3.3Å; R414-V447 PolarHBondContact O-N 3.44Å
415	T	96.8	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.8	155.2	52.4	0	0	0	0	109.6	W201 N203 K204 K417 Y445 A446	W201-T415 HydrophobicContact CE3-CG2 3.67Å; W201-T415 HydrophobicContact CZ3-CG2 3.84Å; N203-T415 HydrophobicContact CB-CG2 4.4Å; K204-T415 HydrophobicContact CG-CG2 4.4Å; T415-K417 WeakPolarHBondContact O-CG 3.19Å; T415-K417 PolarHBondContact O-N 3.46Å; T415-K417 WeakPolarHBondContact OG1-CE 3.5Å; T415-K417 PolarHBondContact OG1-NZ 2.98Å; T415-Y445 WeakPolarHBondContact CA-O 3.17Å; T415-A446 HydrophobicContact CG2-CB 4.19Å
416	L	96.8	Very high	97.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.			trans	-79.5	119.7	-169.2	-81.1	74.2	0	0	0	112.1	L233 Q421 W439 M440 G443 Y445 V447	L233-L416 HydrophobicContact CD1-CD2 4.18Å; L416-Q421 HydrophobicContact CD2-CB 4.25Å; L416-Q421 HydrophobicContact CD2-CG 4.17Å; L416-W439 HydrophobicContact CD2-CE3 3.75Å; L416-W439 HydrophobicContact CD2-CH2 4.36Å; L416-W439 HydrophobicContact CD2-CZ3 3.36Å; L416-M440 CarbonylContact C-O 3.43Å; L416-M440 WeakPolarHBondContact CB-O 3.45Å; L416-M440 HydrophobicContact CD2-CG 4.38Å; L416-G443 VanDerWaalsContact O-CA 3.27Å; L416-G443 WeakPolarHBondContact O-CA 3.31Å; L416-G443 PolarHBondContact O-N 3.16Å; L416-Y445 WeakPolarHBondContact CD1-O 3.4Å; L416-Y445 PolarHBondContact N-O 3.27Å; L416-V447 HydrophobicContact CD1-CG1 4.26Å
417	K	95.1	Very high	97.3	Very high	11 Å²	11	20.5 Å²	20.5	5%	0.048	13%	0.129	C	C	.	.			trans	-135.6	11.5	-177.1	-40.4	-177.1	160.2	165.3	0	113.6	F28 N203 D206 I209 D380 T415 M440	F28-K417 WeakPolarHBondContact CE1-O 3.43Å; F28-K417 WeakPolarHBondContact CZ-O 3.46Å; N203-K417 VanDerWaalsContact CG-NZ 3.26Å; N203-K417 PolarHBondContact O-NZ 2.97Å; N203-K417 PolarHBondContact OD1-NZ 3.37Å; D206-K417 VanDerWaalsContact OD2-CD 3.3Å; D206-K417 WeakPolarHBondContact OD2-CD 3.47Å; D206-K417 WeakPolarHBondContact OD2-CE 3.37Å; D206-K417 IonicContact OD2-NZ 3.7Å; D206-K417 PolarHBondContact OD2-NZ 3.44Å; I209-K417 HydrophobicContact CD1-CB 3.9Å; I209-K417 HydrophobicContact CD1-CD 3.37Å; I209-K417 VanDerWaalsContact CD1-CE 3.42Å; I209-K417 HydrophobicContact CD1-CG 3.55Å; I209-K417 HydrophobicContact CG1-CB 4.24Å; I209-K417 HydrophobicContact CG1-CD 3.79Å; I209-K417 HydrophobicContact CG1-CG 4.25Å; D380-K417 HydrophobicContact CB-CB 3.84Å; D380-K417 HydrophobicContact CB-CD 3.99Å; D380-K417 HydrophobicContact CB-CG 3.87Å; D380-K417 PolarHBondContact OD1-N 3.04Å; T415-K417 WeakPolarHBondContact O-CG 3.19Å; T415-K417 PolarHBondContact O-N 3.46Å; T415-K417 WeakPolarHBondContact OG1-CE 3.5Å; T415-K417 PolarHBondContact OG1-NZ 2.98Å; K417-M440 CarbonylContact C-O 3.6Å; K417-M440 WeakPolarHBondContact CA-O 2.86Å; K417-M440 PolarHBondContact N-O 3.13Å; K417-M440 VanDerWaalsContact N-O 3.1Å
418	A	95.5	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-150	152.8	-178.1	0	0	0	0	0	111.7	W124 D380 R384 R414 V420 M440	W124-A418 HydrophobicContact CH2-CB 3.74Å; W124-A418 HydrophobicContact CZ3-CB 3.72Å; D380-A418 PolarHBondContact OD1-N 3.31Å; D380-A418 WeakPolarHBondContact OD2-CB 3.48Å; R384-A418 HydrophobicContact CG-CB 3.94Å; R414-A418 PolarHBondContact NH2-O 3.19Å; A418-V420 HydrophobicContact CB-CG1 4.27Å; A418-V420 PolarHBondContact O-N 2.81Å; A418-M440 CarbonylContact C-O 3.54Å; A418-M440 PolarHBondContact N-O 3.47Å
419	N	95.1	Very high	97.4	Very high	52 Å²	52	21.7 Å²	21.7	28%	0.278	13%	0.131	S	C	.	.	S	Bend	trans	-74	45.4	179.7	-64.9	137.1	0	0	0	114	L20 F28 T441	L20-N419 HydrophobicContact CD1-CB 4.27Å; F28-N419 WeakPolarHBondContact CB-OD1 3.45Å; F28-N419 PolarHBondContact N-OD1 3.44Å; N419-T441 WeakPolarHBondContact ND2-CG2 3.31Å
420	V	96.6	Very high	97.4	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.024	15%	0.146	C	C	.	.			trans	-134	125.9	171.3	60.2	0	0	0	0	108	L20 Y383 R384 T387 R414 A418	L20-V420 HydrophobicContact CD1-CB 4.3Å; Y383-V420 HydrophobicContact CD1-CG1 4.27Å; Y383-V420 HydrophobicContact CE1-CG2 4.49Å; R384-V420 HydrophobicContact CG-CG1 3.9Å; T387-V420 WeakPolarHBondContact OG1-CG2 3.32Å; R414-V420 VanDerWaalsContact CZ-O 3.26Å; R414-V420 PolarHBondContact NH1-O 3.18Å; R414-V420 PolarHBondContact NH2-O 3.45Å; A418-V420 HydrophobicContact CB-CG1 4.27Å; A418-V420 PolarHBondContact O-N 2.81Å
421	Q	98.2	Very high	97.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.173	C	C	.	.			trans	-158.7	126.1	172.4	176.6	59	57.3	0	0	108.3	Y383 H394 R414 L416 L424 W439	Y383-Q421 PolarHBondContact OH-NE2 3.43Å; H394-Q421 WeakPolarHBondContact CA-O 3.32Å; H394-Q421 PolarHBondContact ND1-O 2.81Å; R414-Q421 VanDerWaalsContact NH1-OE1 3.16Å; L416-Q421 HydrophobicContact CD2-CB 4.25Å; L416-Q421 HydrophobicContact CD2-CG 4.17Å; Q421-L424 HydrophobicContact CG-CD1 3.85Å; Q421-L424 HydrophobicContact CG-CD2 3.92Å; Q421-L424 HydrophobicContact CG-CG 3.84Å; Q421-W439 HydrophobicContact CB-CH2 3.99Å; Q421-W439 HydrophobicContact CB-CZ3 4.37Å; Q421-W439 HydrophobicContact CG-CH2 3.96Å; Q421-W439 HydrophobicContact CG-CZ3 4.14Å
422	V	98.5	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.			trans	-122.9	171.1	-177.9	-61.2	0	0	0	0	111.3	Y383 T387 W392 H394 V396 F398 A401 L424 Q449	Y383-V422 VanDerWaalsContact OH-CG2 3.27Å; Y383-V422 WeakPolarHBondContact OH-CG2 3.44Å; Y383-V422 PolarHBondContact OH-N 2.84Å; T387-V422 HydrophobicContact CG2-CG2 4.26Å; W392-V422 HydrophobicContact CB-CG1 3.39Å; W392-V422 HydrophobicContact CG-CG1 3.82Å; H394-V422 CarbonylContact O-C 3.34Å; H394-V422 WeakPolarHBondContact O-CA 3.4Å; V396-V422 HydrophobicContact CB-CG1 4.4Å; V396-V422 WeakPolarHBondContact O-CB 3.24Å; F398-V422 HydrophobicContact CB-CG2 4.46Å; F398-V422 HydrophobicContact CD2-CG2 3.85Å; A401-V422 HydrophobicContact CB-CB 4.34Å; A401-V422 HydrophobicContact CB-CG1 4.05Å; A401-V422 HydrophobicContact CB-CG2 3.81Å; V422-L424 VanDerWaalsContact C-N 3.28Å; V422-L424 PolarHBondContact O-N 2.68Å; V422-Q449 PolarHBondContact O-NE2 3.26Å
423	G	97.8	Very high	97.1	Very high	21 Å²	21	34.5 Å²	34.5	22%	0.216	19%	0.193	C	C	.	.	S	Bend	trans	66.6	24.6	177.6	0	0	0	0	0	114.7	H394 V396	H394-G423 PolarHBondContact O-N 3.01Å; H394-G423 VanDerWaalsContact O-N 3.08Å; V396-G423 WeakPolarHBondContact O-CA 3.27Å; V396-G423 PolarHBondContact O-N 2.98Å
424	L	98.4	Very high	97	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-81.1	156.6	170.9	-61.4	-169.4	0	0	0	111.2	L233 V234 H394 Q421 V422 Q428 W439	L233-L424 HydrophobicContact CB-CD2 4.23Å; V234-L424 HydrophobicContact CG2-CD2 3.79Å; H394-L424 HydrophobicContact CB-CB 4.37Å; H394-L424 HydrophobicContact CB-CD1 4.2Å; H394-L424 HydrophobicContact CB-CG 4.49Å; H394-L424 WeakPolarHBondContact O-CB 3.35Å; H394-L424 PolarHBondContact O-N 3.09Å; Q421-L424 HydrophobicContact CG-CD1 3.85Å; Q421-L424 HydrophobicContact CG-CD2 3.92Å; Q421-L424 HydrophobicContact CG-CG 3.84Å; V422-L424 VanDerWaalsContact C-N 3.28Å; V422-L424 PolarHBondContact O-N 2.68Å; L424-Q428 HydrophobicContact CB-CB 4.3Å; L424-W439 HydrophobicContact CD1-CH2 3.69Å; L424-W439 HydrophobicContact CD1-CZ2 4.48Å; L424-W439 HydrophobicContact CD1-CZ3 4.3Å
425	Q	97.7	Very high	96.9	Very high	136 Å²	136	46.2 Å²	46.2	64%	0.636	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-67.7	148.1	171.3	-63.1	-60.1	-42	0	0	110.7	G427 Q428	Q425-G427 PolarHBondContact O-N 2.98Å; Q425-Q428 HydrophobicContact CB-CB 4.32Å; Q425-Q428 WeakPolarHBondContact O-CB 3.41Å; Q425-Q428 PolarHBondContact O-N 3.09Å
426	P	97.9	Very high	96.9	Very high	107 Å²	107	47.3 Å²	47.3	70%	0.695	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	128.6	175	-26.7	34.8	0	0	0	112.2	T395 Q428	T395-P426 HydrophobicContact CG2-CB 4.41Å; T395-P426 HydrophobicContact CG2-CG 4.29Å; P426-Q428 VanDerWaalsContact C-N 3.29Å; P426-Q428 PolarHBondContact O-N 3.37Å
427	G	96.7	Very high	96.8	Very high	41 Å²	41	52.9 Å²	52.9	42%	0.423	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-10.9	-179	0	0	0	0	0	115.4	Q425 E430 K431	Q425-G427 PolarHBondContact O-N 2.98Å; G427-E430 WeakPolarHBondContact CA-OE2 3.44Å; G427-E430 PolarHBondContact N-OE2 3.32Å; G427-K431 VanDerWaalsContact O-CB 3.3Å; G427-K431 WeakPolarHBondContact O-CB 3.42Å; G427-K431 PolarHBondContact O-N 3.24Å; G427-K431 VanDerWaalsContact O-N 3.08Å
428	Q	97.8	Very high	96.7	Very high	48 Å²	48	54.7 Å²	54.7	22%	0.224	31%	0.312	C	S	.	.	H	α-helix	trans	-68.3	-45.6	-178.5	-174.1	-179.6	12.3	0	0	111.6	L233 L424 Q425 P426 K431 L432	L233-Q428 PolarHBondContact O-NE2 3.01Å; L233-Q428 VanDerWaalsContact O-NE2 3.13Å; L424-Q428 HydrophobicContact CB-CB 4.3Å; Q425-Q428 HydrophobicContact CB-CB 4.32Å; Q425-Q428 WeakPolarHBondContact O-CB 3.41Å; Q425-Q428 PolarHBondContact O-N 3.09Å; P426-Q428 VanDerWaalsContact C-N 3.29Å; P426-Q428 PolarHBondContact O-N 3.37Å; Q428-K431 PolarHBondContact O-N 3.23Å; Q428-L432 HydrophobicContact CG-CD1 4.24Å; Q428-L432 WeakPolarHBondContact O-CG 3.38Å; Q428-L432 PolarHBondContact O-N 3.34Å
429	G	96.7	Very high	96.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-38.4	179.8	0	0	0	0	0	112.7	L432 S433	G429-L432 PolarHBondContact O-N 3.26Å; G429-S433 WeakPolarHBondContact O-CB 3.46Å; G429-S433 PolarHBondContact O-N 2.7Å; G429-S433 PolarHBondContact O-OG 3.08Å
430	E	96.8	Very high	96.8	Very high	105 Å²	105	53.5 Å²	53.5	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-67	-42.7	177.5	-63.6	77.7	-174.8	0	0	111.2	G427 S433 T434	G427-E430 WeakPolarHBondContact CA-OE2 3.44Å; G427-E430 PolarHBondContact N-OE2 3.32Å; E430-S433 PolarHBondContact O-N 3.06Å; E430-T434 PolarHBondContact O-N 3.01Å; E430-T434 PolarHBondContact O-OG1 3.45Å
431	K	97.3	Very high	96.6	Very high	130 Å²	130	54.2 Å²	54.2	57%	0.565	31%	0.309	S	S	*	.	H	α-helix	trans	-61.6	-46.4	174.8	-177.7	-179.8	177.2	-177	0	111.3	G427 Q428 T434 Q435	G427-K431 VanDerWaalsContact O-CB 3.3Å; G427-K431 WeakPolarHBondContact O-CB 3.42Å; G427-K431 PolarHBondContact O-N 3.24Å; G427-K431 VanDerWaalsContact O-N 3.08Å; Q428-K431 PolarHBondContact O-N 3.23Å; K431-T434 PolarHBondContact O-N 2.9Å; K431-Q435 VanDerWaalsContact CE-NE2 3.33Å; K431-Q435 WeakPolarHBondContact O-CG 3.4Å; K431-Q435 PolarHBondContact O-N 2.98Å; K431-Q435 VanDerWaalsContact O-N 3.08Å
432	L	97.1	Very high	96.3	Very high	13 Å²	13	56.8 Å²	56.8	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-44.7	177.1	-73.6	166.2	0	0	0	111.4	L233 Q428 G429 T434 Q435 D436 W439 Y445	L233-L432 HydrophobicContact CD1-CD1 3.68Å; L233-L432 HydrophobicContact CD2-CD1 3.75Å; L233-L432 HydrophobicContact CD2-CD2 4.27Å; L233-L432 HydrophobicContact CG-CD1 4.37Å; Q428-L432 HydrophobicContact CG-CD1 4.24Å; Q428-L432 WeakPolarHBondContact O-CG 3.38Å; Q428-L432 PolarHBondContact O-N 3.34Å; G429-L432 PolarHBondContact O-N 3.26Å; L432-T434 PolarHBondContact O-N 3.33Å; L432-Q435 PolarHBondContact O-N 3.49Å; L432-D436 CarbonylContact O-C 3.46Å; L432-D436 PolarHBondContact O-N 2.95Å; L432-W439 HydrophobicContact CB-CB 4.42Å; L432-W439 HydrophobicContact CB-CD2 3.74Å; L432-W439 HydrophobicContact CB-CE3 4.35Å; L432-W439 HydrophobicContact CB-CG 3.77Å; L432-W439 HydrophobicContact CB-CZ2 4.49Å; L432-W439 HydrophobicContact CD1-CD2 4.03Å; L432-W439 HydrophobicContact CD1-CE3 3.78Å; L432-W439 HydrophobicContact CD1-CH2 4.28Å; L432-W439 HydrophobicContact CD1-CZ2 4.49Å; L432-W439 HydrophobicContact CD1-CZ3 3.9Å; L432-W439 HydrophobicContact CG-CD2 4.44Å; L432-Y445 HydrophobicContact CD2-CD1 4.35Å; L432-Y445 HydrophobicContact CD2-CE1 3.65Å
433	S	95.9	Very high	95.9	Very high	48 Å²	48	57.2 Å²	57.2	34%	0.336	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-31.5	178	-57	0	0	0	0	112.9	G429 E430 W439	G429-S433 WeakPolarHBondContact O-CB 3.46Å; G429-S433 PolarHBondContact O-N 2.7Å; G429-S433 PolarHBondContact O-OG 3.08Å; E430-S433 PolarHBondContact O-N 3.06Å; S433-W439 PolarHBondContact OG-NE1 3.27Å
434	T	96.8	Very high	95.7	Very high	121 Å²	121	60 Å²	60	74%	0.742	33%	0.334	S	S	*	.	H	α-helix	trans	-74.8	-37.3	174.6	-54.9	0	0	0	0	112.3	E430 K431 L432	E430-T434 PolarHBondContact O-N 3.01Å; E430-T434 PolarHBondContact O-OG1 3.45Å; K431-T434 PolarHBondContact O-N 2.9Å; L432-T434 PolarHBondContact O-N 3.33Å
435	Q	96.3	Very high	95.6	Very high	125 Å²	125	60.5 Å²	60.5	58%	0.584	34%	0.335	S	S	*	.	H	α-helix	trans	-82.3	-37.7	-176.1	-70.2	179.8	-9	0	0	113.2	K431 L432	K431-Q435 VanDerWaalsContact CE-NE2 3.33Å; K431-Q435 WeakPolarHBondContact O-CG 3.4Å; K431-Q435 PolarHBondContact O-N 2.98Å; K431-Q435 VanDerWaalsContact O-N 3.08Å; L432-Q435 PolarHBondContact O-N 3.49Å
436	D	96	Very high	95.6	Very high	23 Å²	23	54 Å²	54	12%	0.123	31%	0.305	C	S	.	.			trans	-147.8	94.2	-178.3	177.7	-2.3	0	0	0	108.1	L432 S438 W439 N442	L432-D436 CarbonylContact O-C 3.46Å; L432-D436 PolarHBondContact O-N 2.95Å; D436-S438 PolarHBondContact O-N 3.34Å; D436-S438 WeakPolarHBondContact OD1-CA 3.06Å; D436-S438 PolarHBondContact OD1-N 3.16Å; D436-S438 PolarHBondContact OD1-OG 3.08Å; D436-W439 HydrophobicContact CB-CB 4.18Å; D436-W439 VanDerWaalsContact O-CB 3.3Å; D436-W439 WeakPolarHBondContact O-CB 3.43Å; D436-W439 PolarHBondContact O-N 3.04Å; D436-W439 PolarHBondContact OD1-N 3.31Å; D436-N442 PolarHBondContact OD1-ND2 2.93Å; D436-N442 PolarHBondContact OD2-ND2 3.1Å
437	P	94.5	Very high	95.6	Very high	117 Å²	117	49 Å²	49	76%	0.76	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.8	-180	-27.5	35.7	0	0	0	114.7
438	S	94.3	Very high	95.7	Very high	50 Å²	50	47 Å²	47	35%	0.35	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	6.9	-178.7	70.9	0	0	0	0	114.1	D436 M440 T441 N442	D436-S438 PolarHBondContact O-N 3.34Å; D436-S438 WeakPolarHBondContact OD1-CA 3.06Å; D436-S438 PolarHBondContact OD1-N 3.16Å; D436-S438 PolarHBondContact OD1-OG 3.08Å; S438-M440 PolarHBondContact O-N 3.48Å; S438-T441 PolarHBondContact O-N 2.96Å; S438-T441 PolarHBondContact O-OG1 3.49Å; S438-T441 VanDerWaalsContact O-OG1 3.05Å; S438-N442 WeakPolarHBondContact O-CB 3.41Å; S438-N442 VanDerWaalsContact O-CG 3.23Å; S438-N442 PolarHBondContact O-N 3.09Å; S438-N442 VanDerWaalsContact O-N 3.1Å; S438-N442 PolarHBondContact O-ND2 3.23Å; S438-N442 PolarHBondContact OG-ND2 2.96Å
439	W	95.6	Very high	95.7	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-30.9	-170	72.1	-87.8	0	0	0	115	L233 L416 Q421 L424 L432 S433 D436 Y445	L233-W439 HydrophobicContact CD1-CE3 3.79Å; L233-W439 HydrophobicContact CD1-CZ3 3.49Å; L233-W439 VanDerWaalsContact CD1-CZ3 3.49Å; L416-W439 HydrophobicContact CD2-CE3 3.75Å; L416-W439 HydrophobicContact CD2-CH2 4.36Å; L416-W439 HydrophobicContact CD2-CZ3 3.36Å; Q421-W439 HydrophobicContact CB-CH2 3.99Å; Q421-W439 HydrophobicContact CB-CZ3 4.37Å; Q421-W439 HydrophobicContact CG-CH2 3.96Å; Q421-W439 HydrophobicContact CG-CZ3 4.14Å; L424-W439 HydrophobicContact CD1-CH2 3.69Å; L424-W439 HydrophobicContact CD1-CZ2 4.48Å; L424-W439 HydrophobicContact CD1-CZ3 4.3Å; L432-W439 HydrophobicContact CB-CB 4.42Å; L432-W439 HydrophobicContact CB-CD2 3.74Å; L432-W439 HydrophobicContact CB-CE3 4.35Å; L432-W439 HydrophobicContact CB-CG 3.77Å; L432-W439 HydrophobicContact CB-CZ2 4.49Å; L432-W439 HydrophobicContact CD1-CD2 4.03Å; L432-W439 HydrophobicContact CD1-CE3 3.78Å; L432-W439 HydrophobicContact CD1-CH2 4.28Å; L432-W439 HydrophobicContact CD1-CZ2 4.49Å; L432-W439 HydrophobicContact CD1-CZ3 3.9Å; L432-W439 HydrophobicContact CG-CD2 4.44Å; S433-W439 PolarHBondContact OG-NE1 3.27Å; D436-W439 HydrophobicContact CB-CB 4.18Å; D436-W439 VanDerWaalsContact O-CB 3.3Å; D436-W439 WeakPolarHBondContact O-CB 3.43Å; D436-W439 PolarHBondContact O-N 3.04Å; D436-W439 PolarHBondContact OD1-N 3.31Å; W439-Y445 HydrophobicContact CB-CD2 3.7Å; W439-Y445 HydrophobicContact CB-CE2 3.53Å; W439-Y445 WeakPolarHBondContact O-CD2 3.3Å
440	M	95.1	Very high	95.8	Very high	25 Å²	25	46.2 Å²	46.2	12%	0.123	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-14.2	178.3	-72	-172.5	-82.8	0	0	114.3	L416 K417 A418 S438	L416-M440 CarbonylContact C-O 3.43Å; L416-M440 WeakPolarHBondContact CB-O 3.45Å; L416-M440 HydrophobicContact CD2-CG 4.38Å; K417-M440 CarbonylContact C-O 3.6Å; K417-M440 WeakPolarHBondContact CA-O 2.86Å; K417-M440 PolarHBondContact N-O 3.13Å; K417-M440 VanDerWaalsContact N-O 3.1Å; A418-M440 CarbonylContact C-O 3.54Å; A418-M440 PolarHBondContact N-O 3.47Å; S438-M440 PolarHBondContact O-N 3.48Å
441	T	93.7	Very high	95.8	Very high	19 Å²	19	42.7 Å²	42.7	12%	0.117	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-5.1	-163.6	52.1	0	0	0	0	114	F28 N419 S438	F28-T441 HydrophobicContact CB-CG2 3.78Å; F28-T441 HydrophobicContact CD1-CG2 3.77Å; F28-T441 HydrophobicContact CD2-CG2 3.52Å; F28-T441 HydrophobicContact CE1-CG2 4.12Å; F28-T441 HydrophobicContact CE2-CG2 3.87Å; F28-T441 HydrophobicContact CG-CG2 3.42Å; F28-T441 VanDerWaalsContact CG-CG2 3.42Å; F28-T441 HydrophobicContact CZ-CG2 4.11Å; N419-T441 WeakPolarHBondContact ND2-CG2 3.31Å; S438-T441 PolarHBondContact O-N 2.96Å; S438-T441 PolarHBondContact O-OG1 3.49Å; S438-T441 VanDerWaalsContact O-OG1 3.05Å
442	N	91	Very high	95.5	Very high	56 Å²	56	37.4 Å²	37.4	30%	0.299	21%	0.213	S	C	.	.	S	Bend	trans	-99.1	0.3	-174.2	66.6	16.5	0	0	0	114	D436 S438 K444	D436-N442 PolarHBondContact OD1-ND2 2.93Å; D436-N442 PolarHBondContact OD2-ND2 3.1Å; S438-N442 WeakPolarHBondContact O-CB 3.41Å; S438-N442 VanDerWaalsContact O-CG 3.23Å; S438-N442 PolarHBondContact O-N 3.09Å; S438-N442 VanDerWaalsContact O-N 3.1Å; S438-N442 PolarHBondContact O-ND2 3.23Å; S438-N442 PolarHBondContact OG-ND2 2.96Å; N442-K444 PolarHBondContact O-N 2.93Å; N442-K444 VanDerWaalsContact O-N 3.16Å; N442-K444 WeakPolarHBondContact OD1-CB 3.38Å; N442-K444 PolarHBondContact OD1-N 3.37Å
443	G	91.6	Very high	94.2	Very high	8 Å²	8	41.7 Å²	41.7	8%	0.082	24%	0.242	C	C	.	.	S	Bend	trans	68.8	6.9	179.7	0	0	0	0	0	115	K204 L416	K204-G443 VanDerWaalsContact CE-O 3.3Å; K204-G443 WeakPolarHBondContact CE-O 3.2Å; L416-G443 VanDerWaalsContact O-CA 3.27Å; L416-G443 WeakPolarHBondContact O-CA 3.31Å; L416-G443 PolarHBondContact O-N 3.16Å
444	K	92.2	Very high	92.2	Very high	81 Å²	81	48.9 Å²	48.9	35%	0.352	27%	0.267	S	S	.	.			trans	-75.2	-40.1	-177.9	-175.2	177.9	172.1	-171.2	0	112.1	W201 K204 F231 N442	W201-K444 WeakPolarHBondContact CH2-O 2.93Å; K204-K444 PolarHBondContact NZ-O 3.5Å; F231-K444 WeakPolarHBondContact CB-O 3.2Å; F231-K444 HydrophobicContact CD1-CG 4.05Å; F231-K444 HydrophobicContact CE1-CD 4.32Å; F231-K444 HydrophobicContact CE1-CG 4.19Å; N442-K444 PolarHBondContact O-N 2.93Å; N442-K444 VanDerWaalsContact O-N 3.16Å; N442-K444 WeakPolarHBondContact OD1-CB 3.38Å; N442-K444 PolarHBondContact OD1-N 3.37Å
445	Y	96.4	Very high	89.9	Confident	17 Å²	17	47.7 Å²	47.7	7%	0.067	26%	0.256	C	S	.	.			trans	-96.7	157.3	-177.2	-62.8	-87.3	0	0	0	111.7	F231 L233 T415 L416 L432 W439	F231-Y445 HydrophobicContact CB-CD1 4.35Å; F231-Y445 HydrophobicContact CD1-CD1 4.15Å; F231-Y445 AromaticContact CD1-CE1 3.89Å; F231-Y445 HydrophobicContact CD1-CE1 3.89Å; F231-Y445 CarbonylContact O-C 3.52Å; F231-Y445 WeakPolarHBondContact O-CA 3.35Å; L233-Y445 HydrophobicContact CD1-CD1 4.16Å; L233-Y445 HydrophobicContact CD1-CG 4.22Å; L233-Y445 HydrophobicContact CD2-CD1 3.55Å; L233-Y445 HydrophobicContact CD2-CE1 4.11Å; L233-Y445 HydrophobicContact CD2-CG 4.42Å; L233-Y445 HydrophobicContact CG-CD1 3.94Å; L233-Y445 HydrophobicContact CG-CG 4.39Å; T415-Y445 WeakPolarHBondContact CA-O 3.17Å; L416-Y445 WeakPolarHBondContact CD1-O 3.4Å; L416-Y445 PolarHBondContact N-O 3.27Å; L432-Y445 HydrophobicContact CD2-CD1 4.35Å; L432-Y445 HydrophobicContact CD2-CE1 3.65Å; W439-Y445 HydrophobicContact CB-CD2 3.7Å; W439-Y445 HydrophobicContact CB-CE2 3.53Å; W439-Y445 WeakPolarHBondContact O-CD2 3.3Å
446	A	97.3	Very high	86.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	165.5	-179.7	0	0	0	0	0	112.8	L200 W201 F231 I232 L233 R414 T415	L200-A446 HydrophobicContact CD1-CB 4.03Å; L200-A446 HydrophobicContact CD2-CB 3.76Å; L200-A446 HydrophobicContact CG-CB 3.98Å; W201-A446 HydrophobicContact CE3-CB 4.21Å; W201-A446 HydrophobicContact CH2-CB 3.32Å; W201-A446 HydrophobicContact CZ2-CB 3.81Å; W201-A446 HydrophobicContact CZ3-CB 3.53Å; F231-A446 PolarHBondContact O-N 3.37Å; I232-A446 CarbonylContact C-O 3.58Å; I232-A446 WeakPolarHBondContact CA-O 3.39Å; L233-A446 PolarHBondContact N-O 2.94Å; R414-A446 CarbonylContact O-C 3.03Å; R414-A446 WeakPolarHBondContact O-CA 3.1Å; R414-A446 VanDerWaalsContact O-CB 3.28Å; R414-A446 WeakPolarHBondContact O-CB 3.46Å; T415-A446 HydrophobicContact CG2-CB 4.19Å
447	V	98.6	Very high	86.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.6	170.4	-66.6	0	0	0	0	110.6	L200 L233 V234 Y383 R414 L416 Q449	L200-V447 WeakPolarHBondContact CD1-O 3.4Å; L233-V447 HydrophobicContact CB-CG1 4.12Å; V234-V447 HydrophobicContact CB-CB 4.14Å; V234-V447 HydrophobicContact CB-CG1 3.85Å; V234-V447 HydrophobicContact CG2-CG1 3.99Å; V234-V447 WeakPolarHBondContact O-CA 3.46Å; Y383-V447 HydrophobicContact CE2-CG2 4.24Å; R414-V447 HydrophobicContact CB-CG2 3.92Å; R414-V447 PolarHBondContact N-O 3.3Å; R414-V447 PolarHBondContact O-N 3.44Å; L416-V447 HydrophobicContact CD1-CG1 4.26Å; V447-Q449 HydrophobicContact CB-CB 4.3Å; V447-Q449 HydrophobicContact CG2-CB 4.3Å
448	I	98.6	Very high	86	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	95.9	159.3	-58.9	177.8	0	0	0	103.7	L196 Q197 L200 V234 D236 S412 L413	L196-I448 HydrophobicContact CD2-CD1 4.18Å; L196-I448 HydrophobicContact CD2-CG2 4.18Å; L196-I448 HydrophobicContact CG-CD1 4.5Å; Q197-I448 HydrophobicContact CG-CD1 4.21Å; L200-I448 HydrophobicContact CD1-CG1 4.4Å; L200-I448 HydrophobicContact CD2-CD1 4.03Å; L200-I448 HydrophobicContact CD2-CG1 3.72Å; V234-I448 CarbonylContact C-O 3.59Å; V234-I448 PolarHBondContact O-N 3.45Å; D236-I448 WeakPolarHBondContact CB-O 3.36Å; D236-I448 PolarHBondContact N-O 3.04Å; S412-I448 WeakPolarHBondContact O-CA 3.31Å; L413-I448 HydrophobicContact CD2-CB 4.27Å; L413-I448 HydrophobicContact CD2-CG1 3.98Å; L413-I448 HydrophobicContact CD2-CG2 3.82Å
449	Q	98.6	Very high	85.5	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.019	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.7	-170.1	-166	165.5	27.4	0	0	110	V234 D236 Y383 F398 C411 S412 V422 V447	V234-Q449 HydrophobicContact CG1-CB 4.37Å; V234-Q449 HydrophobicContact CG1-CG 4.17Å; D236-Q449 WeakPolarHBondContact OD2-CA 3.33Å; Y383-Q449 PolarHBondContact OH-OE1 3.22Å; F398-Q449 HydrophobicContact CB-CG 4.17Å; F398-Q449 HydrophobicContact CD1-CB 4.5Å; F398-Q449 HydrophobicContact CD1-CG 3.65Å; F398-Q449 HydrophobicContact CD2-CG 4.31Å; F398-Q449 HydrophobicContact CE1-CB 4.42Å; F398-Q449 HydrophobicContact CE1-CG 4.05Å; F398-Q449 HydrophobicContact CG-CG 3.8Å; C411-Q449 CarbonylContact C-O 3.58Å; C411-Q449 WeakPolarHBondContact CA-O 3.45Å; S412-Q449 PolarHBondContact N-O 2.88Å; S412-Q449 PolarHBondContact O-N 3.15Å; V422-Q449 PolarHBondContact O-NE2 3.26Å; V447-Q449 HydrophobicContact CB-CB 4.3Å; V447-Q449 HydrophobicContact CG2-CB 4.3Å
450	F	98.4	Very high	84.9	Confident	27 Å²	27	55.8 Å²	55.8	12%	0.118	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.2	-173.4	177.7	-94.4	0	0	0	111.5	D236 M239 V240 T243 L374 P409 L410 C411	D236-F450 HydrophobicContact CB-CB 3.5Å; D236-F450 PolarHBondContact OD2-N 3.29Å; M239-F450 HydrophobicContact CB-CB 4.14Å; M239-F450 HydrophobicContact CB-CD1 3.63Å; M239-F450 HydrophobicContact CB-CD2 4.39Å; M239-F450 HydrophobicContact CB-CE1 4.09Å; M239-F450 HydrophobicContact CB-CG 3.79Å; M239-F450 HydrophobicContact CE-CE1 4.38Å; M239-F450 HydrophobicContact CG-CD1 4.27Å; V240-F450 HydrophobicContact CG2-CD2 4.12Å; T243-F450 WeakPolarHBondContact OG1-CZ 3.49Å; L374-F450 HydrophobicContact CD1-CD2 4.48Å; L374-F450 HydrophobicContact CD1-CE2 4.04Å; P409-F450 HydrophobicContact CB-CE2 4.11Å; P409-F450 HydrophobicContact CB-CZ 4.02Å; L410-F450 WeakPolarHBondContact O-CA 3.41Å; L410-F450 VanDerWaalsContact O-CD2 3.29Å; L410-F450 WeakPolarHBondContact O-CD2 3.43Å; C411-F450 HydrophobicContact CB-CD2 4.19Å
451	H	97.1	Very high	84.3	Confident	32 Å²	32	57.8 Å²	57.8	15%	0.148	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.5	165.4	-179.4	59	0	0	0	110	F398 C399 L402 E406 P409 L410	F398-H451 HydrophobicContact CD1-CB 3.86Å; F398-H451 HydrophobicContact CE1-CB 4.08Å; C399-H451 VanDerWaalsContact CB-CE1 3.46Å; C399-H451 WeakPolarHBondContact CB-CE1 3.5Å; C399-H451 VanDerWaalsContact SG-CE1 3.55Å; L402-H451 HydrophobicContact CD1-CB 3.73Å; L402-H451 WeakPolarHBondContact CD1-CD2 3.16Å; E406-H451 IonicContact OE1-CD2 3.34Å; E406-H451 IonicContact OE1-CE1 3.48Å; E406-H451 PolarHBondContact OE1-CE1 2.9Å; E406-H451 IonicContact OE1-NE2 2.73Å; E406-H451 PolarHBondContact OE1-NE2 2.92Å; E406-H451 IonicContact OE2-NE2 3.82Å; P409-H451 CarbonylContact C-O 3.57Å; P409-H451 WeakPolarHBondContact CA-O 3.35Å; L410-H451 HydrophobicContact CD1-CB 4.08Å; L410-H451 HydrophobicContact CG-CB 4.34Å; L410-H451 PolarHBondContact N-O 3.38Å; L410-H451 PolarHBondContact O-N 2.98Å; L410-H451 VanDerWaalsContact O-O 3.11Å
452	G	90.6	Very high	83.7	Confident	18 Å²	18	60.3 Å²	60.3	19%	0.186	30%	0.303	C	S	.	.			trans	-172	163.4	176.1	0	0	0	0	0	111	K454	G452-K454 PolarHBondContact O-N 3.22Å
453	P	70.1	Confident	83.2	Confident	103 Å²	103	60.6 Å²	60.6	67%	0.669	30%	0.303	S	S	*	.			trans	-54.6	138.3	172.3	23.8	-32.2	0	0	0	109.2	L455	P453-L455 PolarHBondContact O-N 2.81Å; P453-L455 VanDerWaalsContact O-N 3.08Å
454	K	54.3	Low	82.5	Confident	200 Å²	200	64.7 Å²	64.7	87%	0.87	32%	0.32	S	S	*	.			trans	-56.6	120.3	176	-71.7	-176.9	178.7	179.3	0	108	G452 E456	G452-K454 PolarHBondContact O-N 3.22Å; K454-E456 PolarHBondContact O-N 3.29Å; K454-E456 VanDerWaalsContact O-N 3.12Å
455	L	47.8	Very low	81.7	Confident	95 Å²	95	63.3 Å²	63.3	50%	0.497	32%	0.317	S	S	.	.			trans	-62.1	110.5	164.4	-67.8	164	0	0	0	105.9	L242 P453	L242-L455 HydrophobicContact CB-CD1 4.22Å; P453-L455 PolarHBondContact O-N 2.81Å; P453-L455 VanDerWaalsContact O-N 3.08Å
456	E	32.6	Very low	80.4	Confident	264 Å²	264	67.5 Å²	67.5	100%	1.234	34%	0.34	S	S	*	.			trans	-67.8	0	172.4	-74.7	-170	161.6	0	0	112.1	K454	K454-E456 PolarHBondContact O-N 3.29Å; K454-E456 VanDerWaalsContact O-N 3.12Å

Retrieved 456 of 456 residues in 134.6 ms (Link to these results)

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