A0AA82N838_SCHMA Loading...

CCHC-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N838, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 544 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	80.4	Confident	86.4	Confident	92 Å²	92	85.6 Å²	85.6	45%	0.453	42%	0.418	S	S	.	.				0	150.8	0	-162	172.9	-175.8	0	0	108.9	Y16 R19 F20 F42	M1-Y16 HydrophobicContact CE-CD2 4.29Å; M1-Y16 HydrophobicContact CE-CE1 4.31Å; M1-Y16 HydrophobicContact CE-CE2 3.97Å; M1-Y16 WeakPolarHBondContact CE-O 3.5Å; M1-R19 HydrophobicContact CE-CB 3.64Å; M1-F20 HydrophobicContact CE-CB 3.76Å; M1-F20 VanDerWaalsContact CE-N 3.28Å; M1-F20 HydrophobicContact SD-CB 4.18Å; M1-F20 HydrophobicContact SD-CD2 4.03Å; M1-F42 HydrophobicContact CB-CD1 3.67Å; M1-F42 HydrophobicContact CB-CE1 4.07Å; M1-F42 HydrophobicContact CB-CG 4.23Å; M1-F42 HydrophobicContact SD-CB 4.27Å; M1-F42 HydrophobicContact SD-CG 4.39Å
2	E	85.5	Confident	86.8	Confident	115 Å²	115	81.3 Å²	81.3	54%	0.537	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-65	171.9	169.4	-162.9	169.6	-158.4	0	0	110.9	Y16 R19	E2-Y16 WeakPolarHBondContact O-CE2 3.33Å; E2-R19 IonicContact OE2-CZ 2.79Å; E2-R19 IonicContact OE2-NH1 3.01Å; E2-R19 PolarHBondContact OE2-NH1 2.86Å; E2-R19 IonicContact OE2-NH2 3.33Å; E2-R19 PolarHBondContact OE2-NH2 2.92Å
3	R	91.3	Very high	87.2	Confident	191 Å²	191	75.3 Å²	75.3	72%	0.721	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-97.1	152.9	170.9	-69.5	178.6	178	161.5	3.6	109.9	D5	R3-D5 PolarHBondContact O-N 2.87Å
4	L	91.6	Very high	87.6	Confident	12 Å²	12	74.6 Å²	74.6	6%	0.063	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-76	122.2	175.5	179.8	66	0	0	0	110.5	L6 F13 Y16 M17 I43 A47 L72	L4-L6 HydrophobicContact CD2-CD2 3.92Å; L4-L6 HydrophobicContact CG-CD2 4.28Å; L4-F13 HydrophobicContact CD1-CD2 3.92Å; L4-F13 HydrophobicContact CD1-CE2 4.47Å; L4-F13 HydrophobicContact CD2-CD2 4.23Å; L4-F13 HydrophobicContact CD2-CE2 4.02Å; L4-Y16 HydrophobicContact CB-CD1 4.16Å; L4-Y16 HydrophobicContact CB-CD2 4.14Å; L4-Y16 HydrophobicContact CB-CE1 4.02Å; L4-Y16 HydrophobicContact CB-CE2 3.99Å; L4-Y16 HydrophobicContact CB-CG 4.24Å; L4-Y16 HydrophobicContact CD1-CD1 3.77Å; L4-Y16 HydrophobicContact CD1-CD2 4.15Å; L4-Y16 HydrophobicContact CD1-CE1 4.48Å; L4-Y16 HydrophobicContact CD1-CG 3.61Å; L4-Y16 HydrophobicContact CG-CD1 4.39Å; L4-Y16 HydrophobicContact CG-CG 4.49Å; L4-M17 HydrophobicContact CD2-CE 4.01Å; L4-I43 HydrophobicContact CB-CB 4.4Å; L4-I43 PolarHBondContact N-O 2.96Å; L4-I43 VanDerWaalsContact N-O 3.14Å; L4-A47 HydrophobicContact CB-CB 4.44Å; L4-A47 HydrophobicContact CD2-CB 4.09Å; L4-L72 HydrophobicContact CD2-CD1 3.72Å
5	D	88.9	Confident	87.9	Confident	82 Å²	82	77.3 Å²	77.3	44%	0.439	38%	0.382	S	S	.	.			trans	-94.8	110.1	169	-178.3	1.3	0	0	0	110.3	R3 N7 S8	R3-D5 PolarHBondContact O-N 2.87Å; D5-N7 PolarHBondContact O-N 3.48Å; D5-N7 WeakPolarHBondContact OD1-CB 3.39Å; D5-N7 PolarHBondContact OD1-N 3.16Å; D5-N7 PolarHBondContact OD1-ND2 3.4Å; D5-S8 WeakPolarHBondContact CB-OG 3.48Å; D5-S8 WeakPolarHBondContact O-CB 3.39Å; D5-S8 PolarHBondContact O-N 2.97Å; D5-S8 PolarHBondContact O-OG 3.5Å
6	L	87.3	Confident	88.4	Confident	18 Å²	18	72.6 Å²	72.6	9%	0.094	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.6	-179.3	-60.8	176.6	0	0	0	114.3	L4 A47 L50 L72	L4-L6 HydrophobicContact CD2-CD2 3.92Å; L4-L6 HydrophobicContact CG-CD2 4.28Å; L6-A47 HydrophobicContact CD2-CB 4.12Å; L6-A47 HydrophobicContact CG-CB 4.39Å; L6-L50 HydrophobicContact CD1-CB 4.22Å; L6-L50 HydrophobicContact CD1-CD2 3.72Å; L6-L50 HydrophobicContact CD2-CD2 4.25Å; L6-L72 HydrophobicContact CD2-CD2 3.99Å
7	N	82.5	Confident	88.7	Confident	131 Å²	131	68.4 Å²	68.4	70%	0.701	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-4.2	178.7	-48.9	-81.6	0	0	0	112.3	D5	D5-N7 PolarHBondContact O-N 3.48Å; D5-N7 WeakPolarHBondContact OD1-CB 3.39Å; D5-N7 PolarHBondContact OD1-N 3.16Å; D5-N7 PolarHBondContact OD1-ND2 3.4Å
8	S	80.7	Confident	89.1	Confident	33 Å²	33	71.2 Å²	71.2	23%	0.231	35%	0.35	C	S	.	.	S	Bend	trans	-69.3	165.9	177.3	-44.5	0	0	0	0	112	D5	D5-S8 WeakPolarHBondContact CB-OG 3.48Å; D5-S8 WeakPolarHBondContact O-CB 3.39Å; D5-S8 PolarHBondContact O-N 2.97Å; D5-S8 PolarHBondContact O-OG 3.5Å
9	D	85	Confident	89.3	Confident	89 Å²	89	73.2 Å²	73.2	48%	0.476	35%	0.354	S	S	.	.			trans	-68	173.7	168.9	69.3	41.2	0	0	0	112.3	N11 A12 F13	D9-N11 VanDerWaalsContact C-N 3.28Å; D9-N11 PolarHBondContact O-N 3.3Å; D9-N11 WeakPolarHBondContact OD1-CA 3.45Å; D9-N11 WeakPolarHBondContact OD1-CB 3.34Å; D9-N11 PolarHBondContact OD1-N 3.07Å; D9-A12 PolarHBondContact OD1-N 3.09Å; D9-F13 PolarHBondContact O-N 3.45Å
10	F	88.9	Confident	89.6	Confident	74 Å²	74	69.6 Å²	69.6	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-62.6	-32.4	-179.1	-172.7	-91.3	0	0	0	113.4	F13 E14 L73 K77	F10-F13 WeakPolarHBondContact O-CB 3.32Å; F10-F13 PolarHBondContact O-N 3.34Å; F10-E14 HydrophobicContact CD1-CG 4.12Å; F10-E14 HydrophobicContact CE1-CG 3.63Å; F10-E14 HydrophobicContact CZ-CG 4.07Å; F10-E14 VanDerWaalsContact CZ-OE1 3.29Å; F10-E14 WeakPolarHBondContact CZ-OE1 3.01Å; F10-E14 PolarHBondContact O-N 3.01Å; F10-L73 HydrophobicContact CD2-CD1 4.43Å; F10-L73 HydrophobicContact CE2-CD1 3.42Å; F10-L73 VanDerWaalsContact CE2-CD1 3.42Å; F10-L73 HydrophobicContact CZ-CD1 3.78Å; F10-K77 HydrophobicContact CD2-CG 4.22Å; F10-K77 HydrophobicContact CE2-CD 4.46Å; F10-K77 HydrophobicContact CE2-CG 3.88Å
11	N	88.7	Confident	89.9	Confident	105 Å²	105	69.1 Å²	69.1	56%	0.561	33%	0.334	S	S	*	.	H	α-helix	trans	-72.7	-45.3	-176.6	-61.5	-13.1	0	0	0	110.3	D9 F13 E14 E15	D9-N11 VanDerWaalsContact C-N 3.28Å; D9-N11 PolarHBondContact O-N 3.3Å; D9-N11 WeakPolarHBondContact OD1-CA 3.45Å; D9-N11 WeakPolarHBondContact OD1-CB 3.34Å; D9-N11 PolarHBondContact OD1-N 3.07Å; N11-F13 PolarHBondContact O-N 3.08Å; N11-E14 PolarHBondContact O-N 3.25Å; N11-E14 VanDerWaalsContact O-N 3.09Å; N11-E15 WeakPolarHBondContact O-CG 3.31Å; N11-E15 PolarHBondContact O-N 3.18Å
12	A	90.3	Very high	90.5	Very high	34 Å²	34	69 Å²	69	28%	0.281	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-29.2	175.7	0	0	0	0	0	113	D9 Y16	D9-A12 PolarHBondContact OD1-N 3.09Å; A12-Y16 WeakPolarHBondContact O-CB 3.33Å; A12-Y16 PolarHBondContact O-N 3.5Å; A12-Y16 VanDerWaalsContact O-N 3.12Å
13	F	92.3	Very high	90.9	Very high	3 Å²	3	66.7 Å²	66.7	1%	0.013	32%	0.32	C	S	.	.	H	α-helix	trans	-67.6	-49.2	170.8	176.5	-89.1	0	0	0	112	L4 D9 F10 N11 Y16 M17 L72 L73 V76	L4-F13 HydrophobicContact CD1-CD2 3.92Å; L4-F13 HydrophobicContact CD1-CE2 4.47Å; L4-F13 HydrophobicContact CD2-CD2 4.23Å; L4-F13 HydrophobicContact CD2-CE2 4.02Å; D9-F13 PolarHBondContact O-N 3.45Å; F10-F13 WeakPolarHBondContact O-CB 3.32Å; F10-F13 PolarHBondContact O-N 3.34Å; N11-F13 PolarHBondContact O-N 3.08Å; F13-Y16 WeakPolarHBondContact O-CB 3.46Å; F13-Y16 PolarHBondContact O-N 3.01Å; F13-M17 HydrophobicContact CD1-CG 4.36Å; F13-M17 HydrophobicContact CD2-CE 4.19Å; F13-M17 HydrophobicContact CE1-CE 4.12Å; F13-M17 HydrophobicContact CE1-CG 3.9Å; F13-M17 HydrophobicContact CE2-CE 3.36Å; F13-M17 HydrophobicContact CZ-CE 3.34Å; F13-M17 HydrophobicContact CZ-CG 4.09Å; F13-M17 HydrophobicContact CZ-SD 4.48Å; F13-M17 WeakPolarHBondContact O-CG 3.31Å; F13-M17 PolarHBondContact O-N 3.11Å; F13-M17 VanDerWaalsContact O-N 3.08Å; F13-L72 HydrophobicContact CE2-CB 3.7Å; F13-L72 HydrophobicContact CZ-CB 3.87Å; F13-L73 HydrophobicContact CD1-CD1 3.95Å; F13-L73 HydrophobicContact CE1-CB 3.92Å; F13-L73 HydrophobicContact CE1-CD1 3.6Å; F13-L73 HydrophobicContact CE1-CG 4.36Å; F13-L73 HydrophobicContact CZ-CB 4.03Å; F13-L73 HydrophobicContact CZ-CD1 4.49Å; F13-V76 HydrophobicContact CB-CG1 4.14Å; F13-V76 HydrophobicContact CD2-CB 4.39Å; F13-V76 HydrophobicContact CD2-CG2 3.71Å; F13-V76 HydrophobicContact CE2-CG2 4.13Å; F13-V76 HydrophobicContact CG-CG1 4.33Å; F13-V76 HydrophobicContact CG-CG2 4.27Å
14	E	92.5	Very high	90.9	Very high	65 Å²	65	57.9 Å²	57.9	30%	0.304	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-42.9	178.1	-66.4	-64.8	164.4	0	0	111.5	F10 N11 Y16 M17 E18 L73	F10-E14 HydrophobicContact CD1-CG 4.12Å; F10-E14 HydrophobicContact CE1-CG 3.63Å; F10-E14 HydrophobicContact CZ-CG 4.07Å; F10-E14 VanDerWaalsContact CZ-OE1 3.29Å; F10-E14 WeakPolarHBondContact CZ-OE1 3.01Å; F10-E14 PolarHBondContact O-N 3.01Å; N11-E14 PolarHBondContact O-N 3.25Å; N11-E14 VanDerWaalsContact O-N 3.09Å; E14-Y16 VanDerWaalsContact C-N 3.27Å; E14-Y16 PolarHBondContact O-N 2.91Å; E14-M17 PolarHBondContact O-N 3.39Å; E14-E18 PolarHBondContact O-N 3.19Å; E14-L73 WeakPolarHBondContact OE1-CD1 3.23Å
15	E	92.7	Very high	90.9	Very high	115 Å²	115	62.9 Å²	62.9	54%	0.537	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-33.6	173.8	-73.3	177.7	-162.9	0	0	112.8	N11 R19	N11-E15 WeakPolarHBondContact O-CG 3.31Å; N11-E15 PolarHBondContact O-N 3.18Å; E15-R19 WeakPolarHBondContact O-CB 3.18Å; E15-R19 VanDerWaalsContact O-CG 3.23Å; E15-R19 WeakPolarHBondContact O-CG 3.37Å; E15-R19 PolarHBondContact O-N 3.13Å; E15-R19 VanDerWaalsContact O-N 3.12Å; E15-R19 PolarHBondContact O-NE 2.71Å
16	Y	95	Very high	90.9	Very high	3 Å²	3	63.6 Å²	63.6	1%	0.012	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-43.8	171.8	-179.5	-81.8	0	0	0	111.4	M1 E2 L4 A12 F13 E14 R19 F20 F42 I43	M1-Y16 HydrophobicContact CE-CD2 4.29Å; M1-Y16 HydrophobicContact CE-CE1 4.31Å; M1-Y16 HydrophobicContact CE-CE2 3.97Å; M1-Y16 WeakPolarHBondContact CE-O 3.5Å; E2-Y16 WeakPolarHBondContact O-CE2 3.33Å; L4-Y16 HydrophobicContact CB-CD1 4.16Å; L4-Y16 HydrophobicContact CB-CD2 4.14Å; L4-Y16 HydrophobicContact CB-CE1 4.02Å; L4-Y16 HydrophobicContact CB-CE2 3.99Å; L4-Y16 HydrophobicContact CB-CG 4.24Å; L4-Y16 HydrophobicContact CD1-CD1 3.77Å; L4-Y16 HydrophobicContact CD1-CD2 4.15Å; L4-Y16 HydrophobicContact CD1-CE1 4.48Å; L4-Y16 HydrophobicContact CD1-CG 3.61Å; L4-Y16 HydrophobicContact CG-CD1 4.39Å; L4-Y16 HydrophobicContact CG-CG 4.49Å; A12-Y16 WeakPolarHBondContact O-CB 3.33Å; A12-Y16 PolarHBondContact O-N 3.5Å; A12-Y16 VanDerWaalsContact O-N 3.12Å; F13-Y16 WeakPolarHBondContact O-CB 3.46Å; F13-Y16 PolarHBondContact O-N 3.01Å; E14-Y16 VanDerWaalsContact C-N 3.27Å; E14-Y16 PolarHBondContact O-N 2.91Å; Y16-R19 PolarHBondContact O-N 2.87Å; Y16-F20 PolarHBondContact O-N 3.1Å; Y16-F42 VanDerWaalsContact OH-C 3.22Å; Y16-F42 PolarHBondContact OH-O 3.47Å; Y16-I43 HydrophobicContact CE1-CG2 4.11Å; Y16-I43 WeakPolarHBondContact OH-CA 3.25Å; Y16-I43 PolarHBondContact OH-N 3.34Å
17	M	94.6	Very high	91	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-43.4	180	-65.4	-58	164.7	0	0	111.7	L4 F13 E14 R19 F20 E21 F39 K69 L72	L4-M17 HydrophobicContact CD2-CE 4.01Å; F13-M17 HydrophobicContact CD1-CG 4.36Å; F13-M17 HydrophobicContact CD2-CE 4.19Å; F13-M17 HydrophobicContact CE1-CE 4.12Å; F13-M17 HydrophobicContact CE1-CG 3.9Å; F13-M17 HydrophobicContact CE2-CE 3.36Å; F13-M17 HydrophobicContact CZ-CE 3.34Å; F13-M17 HydrophobicContact CZ-CG 4.09Å; F13-M17 HydrophobicContact CZ-SD 4.48Å; F13-M17 WeakPolarHBondContact O-CG 3.31Å; F13-M17 PolarHBondContact O-N 3.11Å; F13-M17 VanDerWaalsContact O-N 3.08Å; E14-M17 PolarHBondContact O-N 3.39Å; M17-R19 PolarHBondContact O-N 3.44Å; M17-F20 WeakPolarHBondContact O-CB 3.26Å; M17-F20 PolarHBondContact O-N 3.27Å; M17-E21 WeakPolarHBondContact O-CG 3.47Å; M17-E21 PolarHBondContact O-N 3.4Å; M17-F39 HydrophobicContact CE-CE2 3.93Å; M17-F39 HydrophobicContact CE-CZ 3.75Å; M17-F39 HydrophobicContact SD-CE2 3.65Å; M17-F39 HydrophobicContact SD-CZ 3.93Å; M17-K69 HydrophobicContact CG-CG 4.46Å; M17-K69 HydrophobicContact SD-CG 4.3Å; M17-L72 HydrophobicContact CE-CD1 4.02Å
18	E	94.7	Very high	90.8	Very high	119 Å²	119	66.3 Å²	66.3	56%	0.556	33%	0.327	S	S	*	.	H	α-helix	trans	-59.6	-46.2	174.5	-176.2	177.1	-159.2	0	0	111.2	E14 F20 E21 I22	E14-E18 PolarHBondContact O-N 3.19Å; E18-F20 PolarHBondContact O-N 3.17Å; E18-E21 PolarHBondContact O-N 3.45Å; E18-I22 HydrophobicContact CG-CD1 3.87Å; E18-I22 HydrophobicContact CG-CG1 4.48Å; E18-I22 WeakPolarHBondContact O-CB 3.28Å; E18-I22 VanDerWaalsContact O-CG1 3.28Å; E18-I22 WeakPolarHBondContact O-CG1 3.13Å; E18-I22 PolarHBondContact O-N 3.36Å
19	R	94.4	Very high	90.9	Very high	109 Å²	109	72.4 Å²	72.4	41%	0.411	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-34	173.8	-73.4	-174.7	-64	163	-1.6	112.5	M1 E2 E15 Y16 M17 W23	M1-R19 HydrophobicContact CE-CB 3.64Å; E2-R19 IonicContact OE2-CZ 2.79Å; E2-R19 IonicContact OE2-NH1 3.01Å; E2-R19 PolarHBondContact OE2-NH1 2.86Å; E2-R19 IonicContact OE2-NH2 3.33Å; E2-R19 PolarHBondContact OE2-NH2 2.92Å; E15-R19 WeakPolarHBondContact O-CB 3.18Å; E15-R19 VanDerWaalsContact O-CG 3.23Å; E15-R19 WeakPolarHBondContact O-CG 3.37Å; E15-R19 PolarHBondContact O-N 3.13Å; E15-R19 VanDerWaalsContact O-N 3.12Å; E15-R19 PolarHBondContact O-NE 2.71Å; Y16-R19 PolarHBondContact O-N 2.87Å; M17-R19 PolarHBondContact O-N 3.44Å; R19-W23 WeakPolarHBondContact O-CB 3.4Å; R19-W23 PolarHBondContact O-N 3.08Å; R19-W23 VanDerWaalsContact O-N 3.16Å
20	F	95.1	Very high	90.9	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-72.1	-43.7	177.5	177.7	-102.5	0	0	0	111.4	M1 Y16 M17 E18 W23 A24 I35 H38 F39 F42 Y65	M1-F20 HydrophobicContact CE-CB 3.76Å; M1-F20 VanDerWaalsContact CE-N 3.28Å; M1-F20 HydrophobicContact SD-CB 4.18Å; M1-F20 HydrophobicContact SD-CD2 4.03Å; Y16-F20 PolarHBondContact O-N 3.1Å; M17-F20 WeakPolarHBondContact O-CB 3.26Å; M17-F20 PolarHBondContact O-N 3.27Å; E18-F20 PolarHBondContact O-N 3.17Å; F20-W23 HydrophobicContact CD2-CE3 4.16Å; F20-W23 AromaticContact CE2-CE3 3.81Å; F20-W23 HydrophobicContact CE2-CE3 3.81Å; F20-W23 AromaticContact CE2-CZ3 3.95Å; F20-W23 HydrophobicContact CE2-CZ3 3.95Å; F20-W23 HydrophobicContact CZ-CZ3 4.44Å; F20-W23 PolarHBondContact O-N 3.21Å; F20-A24 WeakPolarHBondContact O-CB 3.34Å; F20-A24 PolarHBondContact O-N 3.22Å; F20-I35 HydrophobicContact CE1-CD1 4.19Å; F20-I35 HydrophobicContact CE1-CG1 3.77Å; F20-I35 HydrophobicContact CZ-CG1 3.93Å; F20-H38 HydrophobicContact CE2-CB 4.47Å; F20-F39 AromaticContact CD1-CD2 3.74Å; F20-F39 HydrophobicContact CD1-CD2 3.74Å; F20-F39 HydrophobicContact CD1-CE2 4.31Å; F20-F39 HydrophobicContact CD2-CD2 4.23Å; F20-F39 HydrophobicContact CE1-CB 3.92Å; F20-F39 AromaticContact CE1-CD2 3.67Å; F20-F39 HydrophobicContact CE1-CD2 3.67Å; F20-F39 HydrophobicContact CE1-CG 4.18Å; F20-F39 HydrophobicContact CE2-CB 4.14Å; F20-F39 HydrophobicContact CE2-CD2 4.17Å; F20-F39 HydrophobicContact CG-CD2 4.03Å; F20-F39 HydrophobicContact CZ-CB 3.55Å; F20-F39 AromaticContact CZ-CD2 3.9Å; F20-F39 HydrophobicContact CZ-CD2 3.9Å; F20-F39 HydrophobicContact CZ-CG 4.21Å; F20-F42 HydrophobicContact CD2-CD2 4.38Å; F20-F42 AromaticContact CE2-CD2 3.99Å; F20-F42 HydrophobicContact CE2-CD2 3.99Å; F20-Y65 AromaticContact CD1-CE2 3.77Å; F20-Y65 HydrophobicContact CD1-CE2 3.77Å; F20-Y65 AromaticContact CD1-CZ 3.91Å; F20-Y65 HydrophobicContact CE1-CD2 4.11Å; F20-Y65 AromaticContact CE1-CE2 3.5Å; F20-Y65 HydrophobicContact CE1-CE2 3.5Å; F20-Y65 VanDerWaalsContact CE1-CE2 3.5Å; F20-Y65 AromaticContact CE1-CZ 3.97Å
21	E	94.3	Very high	90.6	Very high	61 Å²	61	78 Å²	78	29%	0.285	38%	0.384	S	S	.	.	H	α-helix	trans	-67.6	-39.7	-179.9	-72.5	167.7	-174.9	0	0	111.3	M17 E18 W23 A24 M25 Y65 K69	M17-E21 WeakPolarHBondContact O-CG 3.47Å; M17-E21 PolarHBondContact O-N 3.4Å; E18-E21 PolarHBondContact O-N 3.45Å; E21-W23 PolarHBondContact O-N 3.41Å; E21-A24 PolarHBondContact O-N 3.44Å; E21-M25 WeakPolarHBondContact O-CG 3.47Å; E21-M25 PolarHBondContact O-N 3.23Å; E21-Y65 HydrophobicContact CG-CE1 4.39Å; E21-Y65 PolarHBondContact OE1-OH 2.8Å; E21-K69 IonicContact OE1-NZ 2.88Å; E21-K69 PolarHBondContact OE1-NZ 3.34Å; E21-K69 IonicContact OE2-NZ 2.65Å
22	I	93.2	Very high	90.3	Very high	89 Å²	89	80.7 Å²	80.7	46%	0.456	40%	0.398	S	S	.	.	H	α-helix	trans	-59.7	-46.2	170	-67.8	167.3	0	0	0	111	E18 A24 M25 T26	E18-I22 HydrophobicContact CG-CD1 3.87Å; E18-I22 HydrophobicContact CG-CG1 4.48Å; E18-I22 WeakPolarHBondContact O-CB 3.28Å; E18-I22 VanDerWaalsContact O-CG1 3.28Å; E18-I22 WeakPolarHBondContact O-CG1 3.13Å; E18-I22 PolarHBondContact O-N 3.36Å; I22-A24 VanDerWaalsContact C-N 3.33Å; I22-A24 PolarHBondContact O-N 3.37Å; I22-M25 HydrophobicContact CB-CE 4.43Å; I22-M25 HydrophobicContact CG1-CE 4.05Å; I22-M25 PolarHBondContact O-N 3.48Å; I22-T26 PolarHBondContact O-N 2.95Å
23	W	94	Very high	90.2	Very high	66 Å²	66	81.5 Å²	81.5	25%	0.25	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-40.5	176.1	175.1	82.6	0	0	0	112	R19 F20 E21 T26 K27 F33 H38 F42	R19-W23 WeakPolarHBondContact O-CB 3.4Å; R19-W23 PolarHBondContact O-N 3.08Å; R19-W23 VanDerWaalsContact O-N 3.16Å; F20-W23 HydrophobicContact CD2-CE3 4.16Å; F20-W23 AromaticContact CE2-CE3 3.81Å; F20-W23 HydrophobicContact CE2-CE3 3.81Å; F20-W23 AromaticContact CE2-CZ3 3.95Å; F20-W23 HydrophobicContact CE2-CZ3 3.95Å; F20-W23 HydrophobicContact CZ-CZ3 4.44Å; F20-W23 PolarHBondContact O-N 3.21Å; E21-W23 PolarHBondContact O-N 3.41Å; W23-T26 PolarHBondContact O-N 3.47Å; W23-T26 PolarHBondContact O-OG1 3.04Å; W23-K27 HydrophobicContact CH2-CG 3.94Å; W23-K27 HydrophobicContact CZ2-CD 4.25Å; W23-K27 HydrophobicContact CZ2-CG 3.76Å; W23-F33 HydrophobicContact CH2-CE2 4.01Å; W23-F33 AromaticContact CZ3-CE2 3.9Å; W23-F33 HydrophobicContact CZ3-CE2 3.9Å; W23-F33 HydrophobicContact CZ3-CZ 4.35Å; W23-H38 HydrophobicContact CH2-CB 3.75Å; W23-H38 AromaticContact CH2-CD2 3.94Å; W23-H38 AromaticContact CH2-CG 3.48Å; W23-H38 VanDerWaalsContact CH2-CG 3.48Å; W23-H38 AromaticContact CH2-ND1 3.56Å; W23-H38 HydrophobicContact CZ3-CB 3.65Å; W23-H38 AromaticContact CZ3-CG 3.9Å; W23-F42 HydrophobicContact CD2-CE2 4.18Å; W23-F42 AromaticContact CE2-CE2 3.96Å; W23-F42 HydrophobicContact CE3-CD2 4.46Å; W23-F42 HydrophobicContact CE3-CE2 4.02Å; W23-F42 AromaticContact CH2-CE2 3.56Å; W23-F42 HydrophobicContact CH2-CE2 3.56Å; W23-F42 HydrophobicContact CH2-CZ 4.26Å; W23-F42 AromaticContact CZ2-CE2 3.65Å; W23-F42 HydrophobicContact CZ2-CE2 3.65Å; W23-F42 AromaticContact CZ2-CZ 3.88Å; W23-F42 HydrophobicContact CZ2-CZ 3.88Å; W23-F42 HydrophobicContact CZ3-CD2 4.32Å; W23-F42 AromaticContact CZ3-CE2 3.73Å; W23-F42 HydrophobicContact CZ3-CE2 3.73Å
24	A	92.4	Very high	90.2	Very high	6 Å²	6	85 Å²	85	5%	0.05	41%	0.414	C	S	.	.	H	α-helix	trans	-63.7	-40.2	177.5	0	0	0	0	0	112.5	F20 E21 I22 T26 K27 E28 F33 I35	F20-A24 WeakPolarHBondContact O-CB 3.34Å; F20-A24 PolarHBondContact O-N 3.22Å; E21-A24 PolarHBondContact O-N 3.44Å; I22-A24 VanDerWaalsContact C-N 3.33Å; I22-A24 PolarHBondContact O-N 3.37Å; A24-T26 VanDerWaalsContact C-N 3.25Å; A24-T26 PolarHBondContact O-N 2.73Å; A24-K27 CarbonylContact O-C 3.51Å; A24-K27 WeakPolarHBondContact O-CA 3.43Å; A24-K27 WeakPolarHBondContact O-CB 3.28Å; A24-K27 PolarHBondContact O-N 3.19Å; A24-E28 PolarHBondContact O-N 3.18Å; A24-F33 HydrophobicContact CB-CE1 4.35Å; A24-F33 HydrophobicContact CB-CZ 3.76Å; A24-I35 HydrophobicContact CB-CD1 4.2Å; A24-I35 HydrophobicContact CB-CG1 4.43Å
25	M	90.9	Very high	90.2	Very high	118 Å²	118	84.5 Å²	84.5	58%	0.581	41%	0.413	S	S	*	.	H	α-helix	trans	-61.1	-32	174.1	-72.8	-175.1	-69.2	0	0	112.4	E21 I22 K27	E21-M25 WeakPolarHBondContact O-CG 3.47Å; E21-M25 PolarHBondContact O-N 3.23Å; I22-M25 HydrophobicContact CB-CE 4.43Å; I22-M25 HydrophobicContact CG1-CE 4.05Å; I22-M25 PolarHBondContact O-N 3.48Å; M25-K27 PolarHBondContact O-N 3.3Å; M25-K27 VanDerWaalsContact O-N 3.14Å
26	T	89.8	Confident	90.4	Very high	96 Å²	96	79.7 Å²	79.7	59%	0.589	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	0.9	173.3	70.9	0	0	0	0	114.5	I22 W23 A24	I22-T26 PolarHBondContact O-N 2.95Å; W23-T26 PolarHBondContact O-N 3.47Å; W23-T26 PolarHBondContact O-OG1 3.04Å; A24-T26 VanDerWaalsContact C-N 3.25Å; A24-T26 PolarHBondContact O-N 2.73Å
27	K	88.9	Confident	90.3	Very high	61 Å²	61	81.2 Å²	81.2	27%	0.265	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-1.8	-175.5	-73.3	-76	125.8	-132.9	0	113	W23 A24 M25 D29 D30 F33	W23-K27 HydrophobicContact CH2-CG 3.94Å; W23-K27 HydrophobicContact CZ2-CD 4.25Å; W23-K27 HydrophobicContact CZ2-CG 3.76Å; A24-K27 CarbonylContact O-C 3.51Å; A24-K27 WeakPolarHBondContact O-CA 3.43Å; A24-K27 WeakPolarHBondContact O-CB 3.28Å; A24-K27 PolarHBondContact O-N 3.19Å; M25-K27 PolarHBondContact O-N 3.3Å; M25-K27 VanDerWaalsContact O-N 3.14Å; K27-D29 PolarHBondContact O-N 3.03Å; K27-D30 VanDerWaalsContact CD-OD2 3.26Å; K27-D30 WeakPolarHBondContact CD-OD2 3.45Å; K27-D30 IonicContact NZ-OD1 3.53Å; K27-D30 IonicContact NZ-OD2 2.65Å; K27-D30 PolarHBondContact NZ-OD2 3.27Å; K27-D30 PolarHBondContact O-N 3.11Å; K27-D30 VanDerWaalsContact O-N 3.12Å; K27-F33 HydrophobicContact CB-CD2 3.58Å; K27-F33 HydrophobicContact CB-CE2 3.51Å; K27-F33 HydrophobicContact CB-CG 4.2Å; K27-F33 HydrophobicContact CB-CZ 4.08Å; K27-F33 HydrophobicContact CG-CE2 4.33Å; K27-F33 WeakPolarHBondContact O-CB 2.96Å; K27-F33 WeakPolarHBondContact O-CG 3.42Å
28	E	78.4	Confident	90.3	Very high	146 Å²	146	84.2 Å²	84.2	68%	0.682	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.8	-176.1	-166	170.1	-177.3	0	0	113.2	A24	A24-E28 PolarHBondContact O-N 3.18Å
29	D	82.7	Confident	90.3	Very high	160 Å²	160	78.5 Å²	78.5	86%	0.856	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-11	175.4	-66.1	-43.1	0	0	0	114.4	K27 E31	K27-D29 PolarHBondContact O-N 3.03Å; D29-E31 PolarHBondContact O-N 3.15Å
30	D	85.5	Confident	90.3	Very high	79 Å²	79	74.3 Å²	74.3	42%	0.422	38%	0.377	S	S	.	.			trans	-80.4	116.4	178.3	-70.6	-13.5	0	0	0	109.7	K27 D32 F33	K27-D30 VanDerWaalsContact CD-OD2 3.26Å; K27-D30 WeakPolarHBondContact CD-OD2 3.45Å; K27-D30 IonicContact NZ-OD1 3.53Å; K27-D30 IonicContact NZ-OD2 2.65Å; K27-D30 PolarHBondContact NZ-OD2 3.27Å; K27-D30 PolarHBondContact O-N 3.11Å; K27-D30 VanDerWaalsContact O-N 3.12Å; D30-D32 PolarHBondContact O-N 3.13Å; D30-F33 HydrophobicContact CB-CB 4.25Å; D30-F33 WeakPolarHBondContact O-CB 3.41Å; D30-F33 PolarHBondContact O-N 3.38Å
31	E	82	Confident	90.2	Very high	203 Å²	203	79.3 Å²	79.3	95%	0.949	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.8	-176.4	-66.2	-172.9	171.6	0	0	114.4	D29	D29-E31 PolarHBondContact O-N 3.15Å
32	D	83.2	Confident	90.2	Very high	161 Å²	161	78.9 Å²	78.9	86%	0.861	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	8.2	178.1	-74.4	-42.7	0	0	0	113.6	D30 N34	D30-D32 PolarHBondContact O-N 3.13Å; D32-N34 PolarHBondContact O-N 3.47Å; D32-N34 VanDerWaalsContact O-N 3.1Å
33	F	87.8	Confident	90.2	Very high	51 Å²	51	74.6 Å²	74.6	22%	0.224	38%	0.384	C	S	.	.			trans	-66.9	110.5	-173.8	-178.2	-118	0	0	0	113.1	W23 A24 K27 D30 I35 H38	W23-F33 HydrophobicContact CH2-CE2 4.01Å; W23-F33 AromaticContact CZ3-CE2 3.9Å; W23-F33 HydrophobicContact CZ3-CE2 3.9Å; W23-F33 HydrophobicContact CZ3-CZ 4.35Å; A24-F33 HydrophobicContact CB-CE1 4.35Å; A24-F33 HydrophobicContact CB-CZ 3.76Å; K27-F33 HydrophobicContact CB-CD2 3.58Å; K27-F33 HydrophobicContact CB-CE2 3.51Å; K27-F33 HydrophobicContact CB-CG 4.2Å; K27-F33 HydrophobicContact CB-CZ 4.08Å; K27-F33 HydrophobicContact CG-CE2 4.33Å; K27-F33 WeakPolarHBondContact O-CB 2.96Å; K27-F33 WeakPolarHBondContact O-CG 3.42Å; D30-F33 HydrophobicContact CB-CB 4.25Å; D30-F33 WeakPolarHBondContact O-CB 3.41Å; D30-F33 PolarHBondContact O-N 3.38Å; F33-I35 HydrophobicContact CE1-CB 3.74Å; F33-I35 HydrophobicContact CE1-CG1 4.32Å; F33-I35 HydrophobicContact CZ-CB 3.84Å; F33-I35 HydrophobicContact CZ-CG1 4.14Å; F33-H38 AromaticContact CD2-CD2 3.57Å; F33-H38 AromaticContact CD2-NE2 3.89Å; F33-H38 AromaticContact CE2-CD2 3.46Å; F33-H38 VanDerWaalsContact CE2-CD2 3.46Å; F33-H38 WeakPolarHBondContact CE2-CD2 3.43Å
34	N	91.8	Very high	90.2	Very high	76 Å²	76	72 Å²	72	41%	0.406	38%	0.377	S	S	.	.			trans	-110.5	94.6	172.2	-173.2	-35	0	0	0	110.4	D32 V36 A37 H38	D32-N34 PolarHBondContact O-N 3.47Å; D32-N34 VanDerWaalsContact O-N 3.1Å; N34-V36 PolarHBondContact O-N 3.07Å; N34-V36 WeakPolarHBondContact OD1-CB 3.48Å; N34-V36 PolarHBondContact OD1-N 3.05Å; N34-V36 VanDerWaalsContact OD1-N 3.13Å; N34-A37 HydrophobicContact CB-CB 3.89Å; N34-A37 PolarHBondContact O-N 3.3Å; N34-A37 VanDerWaalsContact O-N 3.09Å; N34-A37 PolarHBondContact OD1-N 3.34Å; N34-H38 PolarHBondContact O-CD2 3.42Å; N34-H38 VanDerWaalsContact O-CD2 3.23Å; N34-H38 PolarHBondContact O-N 3.4Å
35	I	93.9	Very high	90.2	Very high	54 Å²	54	78.7 Å²	78.7	28%	0.277	41%	0.405	S	S	.	.	H	α-helix	trans	-51.2	-38.6	178.8	-170.2	171.2	0	0	0	112.9	F20 A24 F33 F39 Y65	F20-I35 HydrophobicContact CE1-CD1 4.19Å; F20-I35 HydrophobicContact CE1-CG1 3.77Å; F20-I35 HydrophobicContact CZ-CG1 3.93Å; A24-I35 HydrophobicContact CB-CD1 4.2Å; A24-I35 HydrophobicContact CB-CG1 4.43Å; F33-I35 HydrophobicContact CE1-CB 3.74Å; F33-I35 HydrophobicContact CE1-CG1 4.32Å; F33-I35 HydrophobicContact CZ-CB 3.84Å; F33-I35 HydrophobicContact CZ-CG1 4.14Å; I35-F39 VanDerWaalsContact O-CB 3.23Å; I35-F39 WeakPolarHBondContact O-CB 3.43Å; I35-F39 PolarHBondContact O-N 2.98Å; I35-Y65 HydrophobicContact CD1-CD1 4.05Å; I35-Y65 HydrophobicContact CD1-CD2 4.36Å; I35-Y65 HydrophobicContact CD1-CE1 4.44Å; I35-Y65 HydrophobicContact CD1-CG 4.01Å; I35-Y65 HydrophobicContact CG1-CD2 4.29Å; I35-Y65 HydrophobicContact CG1-CG 4.3Å
36	V	95.1	Very high	90.2	Very high	15 Å²	15	79.2 Å²	79.2	9%	0.091	41%	0.406	C	S	.	.	H	α-helix	trans	-69.2	-43.5	180	178.3	0	0	0	0	111.3	N34 F39 L40 I61 L68	N34-V36 PolarHBondContact O-N 3.07Å; N34-V36 WeakPolarHBondContact OD1-CB 3.48Å; N34-V36 PolarHBondContact OD1-N 3.05Å; N34-V36 VanDerWaalsContact OD1-N 3.13Å; V36-F39 PolarHBondContact O-N 2.68Å; V36-L40 HydrophobicContact CG1-CD1 3.88Å; V36-L40 HydrophobicContact CG1-CG 4.41Å; V36-L40 WeakPolarHBondContact O-CB 3.31Å; V36-L40 VanDerWaalsContact O-CG 3.27Å; V36-L40 WeakPolarHBondContact O-CG 3.42Å; V36-L40 PolarHBondContact O-N 2.83Å; V36-I61 HydrophobicContact CG1-CD1 4.05Å; V36-L68 HydrophobicContact CG1-CD1 3.66Å
37	A	94	Very high	90.4	Very high	34 Å²	34	74.6 Å²	74.6	28%	0.281	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-42.9	176.9	0	0	0	0	0	111.7	N34 T41 I61	N34-A37 HydrophobicContact CB-CB 3.89Å; N34-A37 PolarHBondContact O-N 3.3Å; N34-A37 VanDerWaalsContact O-N 3.09Å; N34-A37 PolarHBondContact OD1-N 3.34Å; A37-T41 WeakPolarHBondContact O-CB 3.2Å; A37-T41 PolarHBondContact O-N 3.35Å; A37-T41 PolarHBondContact O-OG1 3.36Å; A37-I61 HydrophobicContact CB-CD1 3.98Å
38	H	93.6	Very high	90.7	Very high	64 Å²	64	76 Å²	76	30%	0.296	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-46.2	175	-73.8	-65.3	0	0	0	112	F20 W23 F33 N34 L40 T41 F42	F20-H38 HydrophobicContact CE2-CB 4.47Å; W23-H38 HydrophobicContact CH2-CB 3.75Å; W23-H38 AromaticContact CH2-CD2 3.94Å; W23-H38 AromaticContact CH2-CG 3.48Å; W23-H38 VanDerWaalsContact CH2-CG 3.48Å; W23-H38 AromaticContact CH2-ND1 3.56Å; W23-H38 HydrophobicContact CZ3-CB 3.65Å; W23-H38 AromaticContact CZ3-CG 3.9Å; F33-H38 AromaticContact CD2-CD2 3.57Å; F33-H38 AromaticContact CD2-NE2 3.89Å; F33-H38 AromaticContact CE2-CD2 3.46Å; F33-H38 VanDerWaalsContact CE2-CD2 3.46Å; F33-H38 WeakPolarHBondContact CE2-CD2 3.43Å; N34-H38 PolarHBondContact O-CD2 3.42Å; N34-H38 VanDerWaalsContact O-CD2 3.23Å; N34-H38 PolarHBondContact O-N 3.4Å; H38-L40 PolarHBondContact O-N 3.01Å; H38-T41 WeakPolarHBondContact O-CA 3.4Å; H38-T41 WeakPolarHBondContact O-CB 3.43Å; H38-T41 PolarHBondContact O-N 3.42Å; H38-F42 HydrophobicContact CB-CD2 4.28Å; H38-F42 HydrophobicContact CB-CE2 4.13Å; H38-F42 WeakPolarHBondContact O-CD2 3.24Å; H38-F42 PolarHBondContact O-N 2.84Å
39	F	95.7	Very high	91.4	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-55.5	-52.9	178	-175.6	-117.6	0	0	0	111.9	M17 F20 I35 V36 T41 F42 I43 I51 Y65 L68 L72	M17-F39 HydrophobicContact CE-CE2 3.93Å; M17-F39 HydrophobicContact CE-CZ 3.75Å; M17-F39 HydrophobicContact SD-CE2 3.65Å; M17-F39 HydrophobicContact SD-CZ 3.93Å; F20-F39 AromaticContact CD1-CD2 3.74Å; F20-F39 HydrophobicContact CD1-CD2 3.74Å; F20-F39 HydrophobicContact CD1-CE2 4.31Å; F20-F39 HydrophobicContact CD2-CD2 4.23Å; F20-F39 HydrophobicContact CE1-CB 3.92Å; F20-F39 AromaticContact CE1-CD2 3.67Å; F20-F39 HydrophobicContact CE1-CD2 3.67Å; F20-F39 HydrophobicContact CE1-CG 4.18Å; F20-F39 HydrophobicContact CE2-CB 4.14Å; F20-F39 HydrophobicContact CE2-CD2 4.17Å; F20-F39 HydrophobicContact CG-CD2 4.03Å; F20-F39 HydrophobicContact CZ-CB 3.55Å; F20-F39 AromaticContact CZ-CD2 3.9Å; F20-F39 HydrophobicContact CZ-CD2 3.9Å; F20-F39 HydrophobicContact CZ-CG 4.21Å; I35-F39 VanDerWaalsContact O-CB 3.23Å; I35-F39 WeakPolarHBondContact O-CB 3.43Å; I35-F39 PolarHBondContact O-N 2.98Å; V36-F39 PolarHBondContact O-N 2.68Å; F39-T41 PolarHBondContact O-N 3.37Å; F39-T41 VanDerWaalsContact O-N 3.12Å; F39-F42 PolarHBondContact O-N 3.33Å; F39-F42 VanDerWaalsContact O-N 3.13Å; F39-I43 HydrophobicContact CD1-CG2 4.29Å; F39-I43 HydrophobicContact CD2-CG2 3.76Å; F39-I43 HydrophobicContact CE1-CG2 4.01Å; F39-I43 HydrophobicContact CE2-CG2 3.45Å; F39-I43 VanDerWaalsContact CE2-CG2 3.45Å; F39-I43 HydrophobicContact CG-CG2 4.19Å; F39-I43 HydrophobicContact CZ-CG2 3.61Å; F39-I43 WeakPolarHBondContact O-CG1 3.4Å; F39-I43 WeakPolarHBondContact O-CG2 3.37Å; F39-I43 PolarHBondContact O-N 3.35Å; F39-I51 HydrophobicContact CE1-CD1 4.22Å; F39-Y65 HydrophobicContact CB-CD2 4.22Å; F39-Y65 HydrophobicContact CB-CE2 4.34Å; F39-Y65 HydrophobicContact CD1-CD2 4.16Å; F39-Y65 HydrophobicContact CD1-CE2 4.18Å; F39-Y65 HydrophobicContact CD2-CD2 4.27Å; F39-Y65 AromaticContact CD2-CE2 3.62Å; F39-Y65 HydrophobicContact CD2-CE2 3.62Å; F39-Y65 HydrophobicContact CE1-CE2 4.34Å; F39-Y65 AromaticContact CE2-CE2 3.8Å; F39-Y65 HydrophobicContact CE2-CE2 3.8Å; F39-Y65 AromaticContact CG-CD2 3.97Å; F39-Y65 HydrophobicContact CG-CD2 3.97Å; F39-Y65 AromaticContact CG-CE2 3.79Å; F39-Y65 HydrophobicContact CG-CE2 3.79Å; F39-Y65 HydrophobicContact CZ-CE2 4.15Å; F39-L68 HydrophobicContact CD1-CB 4.17Å; F39-L68 HydrophobicContact CD1-CD1 4.24Å; F39-L68 HydrophobicContact CE1-CB 3.87Å; F39-L72 HydrophobicContact CE1-CD1 4.22Å; F39-L72 HydrophobicContact CZ-CD1 3.91Å
40	L	94.8	Very high	91.9	Very high	20 Å²	20	65.1 Å²	65.1	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-21.8	178.2	-66.6	171	0	0	0	113.2	V36 H38 I43 Y48 I51 P60 I61 L68	V36-L40 HydrophobicContact CG1-CD1 3.88Å; V36-L40 HydrophobicContact CG1-CG 4.41Å; V36-L40 WeakPolarHBondContact O-CB 3.31Å; V36-L40 VanDerWaalsContact O-CG 3.27Å; V36-L40 WeakPolarHBondContact O-CG 3.42Å; V36-L40 PolarHBondContact O-N 2.83Å; H38-L40 PolarHBondContact O-N 3.01Å; L40-I43 HydrophobicContact CD2-CD1 4.19Å; L40-Y48 HydrophobicContact CB-CD2 4.26Å; L40-Y48 HydrophobicContact CB-CE2 4.42Å; L40-Y48 HydrophobicContact CD2-CD2 3.91Å; L40-Y48 HydrophobicContact CD2-CE2 4.17Å; L40-I51 HydrophobicContact CD2-CD1 4.11Å; L40-I51 HydrophobicContact CD2-CG2 4.25Å; L40-P60 HydrophobicContact CD1-CB 3.85Å; L40-P60 HydrophobicContact CD2-CB 3.79Å; L40-I61 HydrophobicContact CD1-CB 4.25Å; L40-I61 HydrophobicContact CD1-CD1 4.18Å; L40-L68 HydrophobicContact CD1-CD1 4.47Å; L40-L68 HydrophobicContact CD2-CD1 4.06Å; L40-L68 HydrophobicContact CG-CD1 4.25Å
41	T	92.6	Very high	92.4	Very high	106 Å²	106	61.4 Å²	61.4	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-82	-41.2	175.3	-57.9	0	0	0	0	112.1	A37 H38 F39	A37-T41 WeakPolarHBondContact O-CB 3.2Å; A37-T41 PolarHBondContact O-N 3.35Å; A37-T41 PolarHBondContact O-OG1 3.36Å; H38-T41 WeakPolarHBondContact O-CA 3.4Å; H38-T41 WeakPolarHBondContact O-CB 3.43Å; H38-T41 PolarHBondContact O-N 3.42Å; F39-T41 PolarHBondContact O-N 3.37Å; F39-T41 VanDerWaalsContact O-N 3.12Å
42	F	93.5	Very high	92.9	Very high	51 Å²	51	57.5 Å²	57.5	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-81.1	-37.1	-175.6	-71.8	-62.8	0	0	0	114.5	M1 Y16 F20 W23 H38 F39 G44	M1-F42 HydrophobicContact CB-CD1 3.67Å; M1-F42 HydrophobicContact CB-CE1 4.07Å; M1-F42 HydrophobicContact CB-CG 4.23Å; M1-F42 HydrophobicContact SD-CB 4.27Å; M1-F42 HydrophobicContact SD-CG 4.39Å; Y16-F42 VanDerWaalsContact OH-C 3.22Å; Y16-F42 PolarHBondContact OH-O 3.47Å; F20-F42 HydrophobicContact CD2-CD2 4.38Å; F20-F42 AromaticContact CE2-CD2 3.99Å; F20-F42 HydrophobicContact CE2-CD2 3.99Å; W23-F42 HydrophobicContact CD2-CE2 4.18Å; W23-F42 AromaticContact CE2-CE2 3.96Å; W23-F42 HydrophobicContact CE3-CD2 4.46Å; W23-F42 HydrophobicContact CE3-CE2 4.02Å; W23-F42 AromaticContact CH2-CE2 3.56Å; W23-F42 HydrophobicContact CH2-CE2 3.56Å; W23-F42 HydrophobicContact CH2-CZ 4.26Å; W23-F42 AromaticContact CZ2-CE2 3.65Å; W23-F42 HydrophobicContact CZ2-CE2 3.65Å; W23-F42 AromaticContact CZ2-CZ 3.88Å; W23-F42 HydrophobicContact CZ2-CZ 3.88Å; W23-F42 HydrophobicContact CZ3-CD2 4.32Å; W23-F42 AromaticContact CZ3-CE2 3.73Å; W23-F42 HydrophobicContact CZ3-CE2 3.73Å; H38-F42 HydrophobicContact CB-CD2 4.28Å; H38-F42 HydrophobicContact CB-CE2 4.13Å; H38-F42 WeakPolarHBondContact O-CD2 3.24Å; H38-F42 PolarHBondContact O-N 2.84Å; F39-F42 PolarHBondContact O-N 3.33Å; F39-F42 VanDerWaalsContact O-N 3.13Å; F42-G44 PolarHBondContact O-N 3.26Å
43	I	93.9	Very high	93.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-56.8	-22.7	-176.5	60.7	178.6	0	0	0	114.3	L4 Y16 F39 L40 A47 I51	L4-I43 HydrophobicContact CB-CB 4.4Å; L4-I43 PolarHBondContact N-O 2.96Å; L4-I43 VanDerWaalsContact N-O 3.14Å; Y16-I43 HydrophobicContact CE1-CG2 4.11Å; Y16-I43 WeakPolarHBondContact OH-CA 3.25Å; Y16-I43 PolarHBondContact OH-N 3.34Å; F39-I43 HydrophobicContact CD1-CG2 4.29Å; F39-I43 HydrophobicContact CD2-CG2 3.76Å; F39-I43 HydrophobicContact CE1-CG2 4.01Å; F39-I43 HydrophobicContact CE2-CG2 3.45Å; F39-I43 VanDerWaalsContact CE2-CG2 3.45Å; F39-I43 HydrophobicContact CG-CG2 4.19Å; F39-I43 HydrophobicContact CZ-CG2 3.61Å; F39-I43 WeakPolarHBondContact O-CG1 3.4Å; F39-I43 WeakPolarHBondContact O-CG2 3.37Å; F39-I43 PolarHBondContact O-N 3.35Å; L40-I43 HydrophobicContact CD2-CD1 4.19Å; I43-A47 HydrophobicContact CB-CB 3.75Å; I43-A47 HydrophobicContact CD1-CB 3.98Å; I43-A47 HydrophobicContact CG1-CB 3.97Å; I43-I51 HydrophobicContact CD1-CD1 3.51Å
44	G	93.1	Very high	93.5	Very high	10 Å²	10	51 Å²	51	10%	0.103	26%	0.262	C	S	.	.			trans	86.7	172.8	177.9	0	0	0	0	0	114.9	F42 E46 Y48	F42-G44 PolarHBondContact O-N 3.26Å; G44-E46 VanDerWaalsContact C-N 3.34Å; G44-E46 PolarHBondContact O-N 2.92Å; G44-Y48 VanDerWaalsContact O-CB 3.28Å; G44-Y48 WeakPolarHBondContact O-CB 3.07Å; G44-Y48 PolarHBondContact O-N 3.41Å
45	K	93	Very high	93.5	Very high	148 Å²	148	47.7 Å²	47.7	64%	0.643	25%	0.245	S	C	*	.	H	α-helix	trans	-61.3	-37.2	-166.5	-173.7	177.1	-179.8	177.5	0	113.4	S49	K45-S49 VanDerWaalsContact O-CB 3.31Å; K45-S49 WeakPolarHBondContact O-CB 3.32Å; K45-S49 PolarHBondContact O-N 2.89Å; K45-S49 PolarHBondContact O-OG 3.11Å
46	E	90.7	Very high	93.3	Very high	128 Å²	128	49.3 Å²	49.3	60%	0.598	25%	0.254	S	S	*	.	H	α-helix	trans	-74.9	-54	-174.1	-61.9	-174.3	-177.3	0	0	111	G44 Y48 S49 L50	G44-E46 VanDerWaalsContact C-N 3.34Å; G44-E46 PolarHBondContact O-N 2.92Å; E46-Y48 VanDerWaalsContact C-N 3.33Å; E46-Y48 PolarHBondContact O-N 2.94Å; E46-S49 WeakPolarHBondContact O-CB 3.49Å; E46-S49 PolarHBondContact O-N 3.4Å; E46-L50 PolarHBondContact O-N 3.41Å
47	A	94	Very high	93	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-54	-45.1	171.1	0	0	0	0	0	112.8	L4 L6 I43 S49 L50 I51 L72	L4-A47 HydrophobicContact CB-CB 4.44Å; L4-A47 HydrophobicContact CD2-CB 4.09Å; L6-A47 HydrophobicContact CD2-CB 4.12Å; L6-A47 HydrophobicContact CG-CB 4.39Å; I43-A47 HydrophobicContact CB-CB 3.75Å; I43-A47 HydrophobicContact CD1-CB 3.98Å; I43-A47 HydrophobicContact CG1-CB 3.97Å; A47-S49 VanDerWaalsContact C-N 3.34Å; A47-S49 PolarHBondContact O-N 2.67Å; A47-L50 PolarHBondContact O-N 3.43Å; A47-I51 WeakPolarHBondContact O-CG1 3.13Å; A47-I51 PolarHBondContact O-N 3.47Å; A47-L72 HydrophobicContact CB-CD2 4.37Å
48	Y	95.4	Very high	92.8	Very high	90 Å²	90	57 Å²	57	35%	0.353	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-38.5	175	-180	-101.5	0	0	0	113.2	L40 G44 E46 K52 P60	L40-Y48 HydrophobicContact CB-CD2 4.26Å; L40-Y48 HydrophobicContact CB-CE2 4.42Å; L40-Y48 HydrophobicContact CD2-CD2 3.91Å; L40-Y48 HydrophobicContact CD2-CE2 4.17Å; G44-Y48 VanDerWaalsContact O-CB 3.28Å; G44-Y48 WeakPolarHBondContact O-CB 3.07Å; G44-Y48 PolarHBondContact O-N 3.41Å; E46-Y48 VanDerWaalsContact C-N 3.33Å; E46-Y48 PolarHBondContact O-N 2.94Å; Y48-K52 HydrophobicContact CE1-CD 4.31Å; Y48-K52 VanDerWaalsContact O-CB 3.25Å; Y48-K52 WeakPolarHBondContact O-CB 3.3Å; Y48-K52 PolarHBondContact O-N 3.37Å; Y48-P60 HydrophobicContact CE2-CB 4.39Å; Y48-P60 HydrophobicContact CE2-CG 4.42Å
49	S	93.2	Very high	92.7	Very high	54 Å²	54	61.2 Å²	61.2	38%	0.378	31%	0.314	S	S	.	.	H	α-helix	trans	-68.8	-35.6	178.3	-60.9	0	0	0	0	112.2	K45 E46 A47 T53	K45-S49 VanDerWaalsContact O-CB 3.31Å; K45-S49 WeakPolarHBondContact O-CB 3.32Å; K45-S49 PolarHBondContact O-N 2.89Å; K45-S49 PolarHBondContact O-OG 3.11Å; E46-S49 WeakPolarHBondContact O-CB 3.49Å; E46-S49 PolarHBondContact O-N 3.4Å; A47-S49 VanDerWaalsContact C-N 3.34Å; A47-S49 PolarHBondContact O-N 2.67Å; S49-T53 PolarHBondContact O-N 2.92Å; S49-T53 PolarHBondContact O-OG1 2.86Å
50	L	93.4	Very high	92.6	Very high	24 Å²	24	61.8 Å²	61.8	13%	0.126	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-55.1	171.6	175.8	64.4	0	0	0	110.8	L6 E46 A47 K52 T53 L54 L72 H75	L6-L50 HydrophobicContact CD1-CB 4.22Å; L6-L50 HydrophobicContact CD1-CD2 3.72Å; L6-L50 HydrophobicContact CD2-CD2 4.25Å; E46-L50 PolarHBondContact O-N 3.41Å; A47-L50 PolarHBondContact O-N 3.43Å; L50-K52 VanDerWaalsContact C-N 3.29Å; L50-K52 PolarHBondContact O-N 3.19Å; L50-T53 WeakPolarHBondContact O-CA 3.25Å; L50-T53 WeakPolarHBondContact O-CB 3.18Å; L50-T53 PolarHBondContact O-N 3.34Å; L50-L54 HydrophobicContact CD1-CD1 3.83Å; L50-L54 HydrophobicContact CD1-CD2 4.32Å; L50-L54 HydrophobicContact CD1-CG 3.92Å; L50-L54 HydrophobicContact CD2-CD1 4.36Å; L50-L54 HydrophobicContact CG-CD1 3.78Å; L50-L54 HydrophobicContact CG-CG 4.21Å; L50-L54 WeakPolarHBondContact O-CG 3.28Å; L50-L54 PolarHBondContact O-N 3.45Å; L50-L72 HydrophobicContact CD2-CD2 3.8Å; L50-L72 HydrophobicContact CG-CD2 4.43Å; L50-H75 HydrophobicContact CD2-CB 3.86Å; L50-H75 WeakPolarHBondContact CD2-CD2 3.49Å; L50-H75 VanDerWaalsContact CD2-CG 3.47Å
51	I	94.8	Very high	92.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-53.5	-47.2	176.7	-70.7	-179.9	0	0	0	110.8	F39 L40 I43 A47 T53 L54 A55 P60 L68 L72	F39-I51 HydrophobicContact CE1-CD1 4.22Å; L40-I51 HydrophobicContact CD2-CD1 4.11Å; L40-I51 HydrophobicContact CD2-CG2 4.25Å; I43-I51 HydrophobicContact CD1-CD1 3.51Å; A47-I51 WeakPolarHBondContact O-CG1 3.13Å; A47-I51 PolarHBondContact O-N 3.47Å; I51-T53 PolarHBondContact O-N 2.98Å; I51-T53 VanDerWaalsContact O-N 3.07Å; I51-L54 PolarHBondContact O-N 2.8Å; I51-L54 VanDerWaalsContact O-N 3.12Å; I51-A55 HydrophobicContact CG2-CB 4.4Å; I51-A55 WeakPolarHBondContact O-CB 3.22Å; I51-A55 PolarHBondContact O-N 3.04Å; I51-P60 HydrophobicContact CG2-CB 3.73Å; I51-P60 HydrophobicContact CG2-CG 3.9Å; I51-L68 HydrophobicContact CD1-CB 4.38Å; I51-L68 HydrophobicContact CD1-CD2 4.47Å; I51-L68 HydrophobicContact CG2-CD2 3.61Å; I51-L72 HydrophobicContact CD1-CD1 3.9Å; I51-L72 HydrophobicContact CD1-CD2 4.17Å; I51-L72 HydrophobicContact CD1-CG 3.94Å; I51-L72 HydrophobicContact CG1-CD1 4.38Å; I51-L72 HydrophobicContact CG1-CD2 3.74Å; I51-L72 HydrophobicContact CG1-CG 3.91Å
52	K	93.7	Very high	92.6	Very high	121 Å²	121	63.8 Å²	63.8	53%	0.526	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-21.2	177.8	-175.6	176.7	176.8	-175.7	0	113.6	Y48 L50 L56 P60	Y48-K52 HydrophobicContact CE1-CD 4.31Å; Y48-K52 VanDerWaalsContact O-CB 3.25Å; Y48-K52 WeakPolarHBondContact O-CB 3.3Å; Y48-K52 PolarHBondContact O-N 3.37Å; L50-K52 VanDerWaalsContact C-N 3.29Å; L50-K52 PolarHBondContact O-N 3.19Å; K52-L56 WeakPolarHBondContact O-CG 3.35Å; K52-P60 HydrophobicContact CB-CG 4.22Å
53	T	92.3	Very high	92.6	Very high	56 Å²	56	62.6 Å²	62.6	34%	0.344	33%	0.326	S	S	.	.	H	α-helix	trans	-89.4	-39.1	175.2	-55.8	0	0	0	0	112.1	S49 L50 I51	S49-T53 PolarHBondContact O-N 2.92Å; S49-T53 PolarHBondContact O-OG1 2.86Å; L50-T53 WeakPolarHBondContact O-CA 3.25Å; L50-T53 WeakPolarHBondContact O-CB 3.18Å; L50-T53 PolarHBondContact O-N 3.34Å; I51-T53 PolarHBondContact O-N 2.98Å; I51-T53 VanDerWaalsContact O-N 3.07Å
54	L	91.7	Very high	92.6	Very high	20 Å²	20	66.3 Å²	66.3	11%	0.105	35%	0.35	C	S	.	.	H	α-helix	trans	-75.8	-36.8	-179.6	-63.8	179.5	0	0	0	113.1	L50 I51 L56 L71 F142	L50-L54 HydrophobicContact CD1-CD1 3.83Å; L50-L54 HydrophobicContact CD1-CD2 4.32Å; L50-L54 HydrophobicContact CD1-CG 3.92Å; L50-L54 HydrophobicContact CD2-CD1 4.36Å; L50-L54 HydrophobicContact CG-CD1 3.78Å; L50-L54 HydrophobicContact CG-CG 4.21Å; L50-L54 WeakPolarHBondContact O-CG 3.28Å; L50-L54 PolarHBondContact O-N 3.45Å; I51-L54 PolarHBondContact O-N 2.8Å; I51-L54 VanDerWaalsContact O-N 3.12Å; L54-L56 PolarHBondContact O-N 3.32Å; L54-L71 HydrophobicContact CB-CD1 4.22Å; L54-L71 HydrophobicContact CB-CD2 4.18Å; L54-L71 HydrophobicContact CD1-CB 4.1Å; L54-L71 WeakPolarHBondContact CD1-O 3.47Å; L54-F142 HydrophobicContact CD2-CB 3.62Å; L54-F142 WeakPolarHBondContact CD2-O 3.27Å
55	A	91.2	Very high	92.7	Very high	6 Å²	6	66.7 Å²	66.7	5%	0.05	35%	0.348	C	S	.	.	S	Bend	trans	-73.2	-4.7	-176.9	0	0	0	0	0	114.6	I51 D58 P60 L63	I51-A55 HydrophobicContact CG2-CB 4.4Å; I51-A55 WeakPolarHBondContact O-CB 3.22Å; I51-A55 PolarHBondContact O-N 3.04Å; A55-D58 CarbonylContact O-C 3.54Å; A55-D58 WeakPolarHBondContact O-CA 3.23Å; A55-D58 WeakPolarHBondContact O-CB 3.47Å; A55-D58 PolarHBondContact O-N 3.05Å; A55-P60 HydrophobicContact CB-CG 4.4Å; A55-L63 HydrophobicContact CB-CD1 3.56Å
56	L	89	Confident	92.8	Very high	88 Å²	88	65.4 Å²	65.4	46%	0.461	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	135.2	-176.9	-66.5	174.1	0	0	0	111.1	K52 L54	K52-L56 WeakPolarHBondContact O-CG 3.35Å; L54-L56 PolarHBondContact O-N 3.32Å
57	P	89.3	Confident	93	Very high	123 Å²	123	62.1 Å²	62.1	80%	0.799	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.2	-8.9	15.9	35.1	-37.7	0	0	0	115.7
58	D	90.5	Very high	93.1	Very high	89 Å²	89	62.1 Å²	62.1	48%	0.476	33%	0.333	S	S	.	.	S	Bend	trans	-74.3	166.6	-174.5	-63	-50.5	0	0	0	112.9	A55 L63	A55-D58 CarbonylContact O-C 3.54Å; A55-D58 WeakPolarHBondContact O-CA 3.23Å; A55-D58 WeakPolarHBondContact O-CB 3.47Å; A55-D58 PolarHBondContact O-N 3.05Å; D58-L63 HydrophobicContact CB-CD2 4.15Å
59	K	91.3	Very high	93	Very high	152 Å²	152	59.5 Å²	59.5	66%	0.661	32%	0.324	S	S	*	.			trans	-88.7	140.8	173.1	-65.1	178.3	-178	173.4	0	108.7	I61 S62	K59-I61 HydrophobicContact CB-CG2 4.11Å; K59-I61 PolarHBondContact O-N 3.41Å; K59-I61 VanDerWaalsContact O-N 3.11Å; K59-S62 PolarHBondContact N-OG 2.99Å; K59-S62 PolarHBondContact O-N 2.92Å; K59-S62 PolarHBondContact O-OG 3.03Å
60	P	92.4	Very high	93.1	Very high	12 Å²	12	61 Å²	61	8%	0.078	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-51.8	-38.4	176.8	-31.2	37.6	0	0	0	114	L40 Y48 I51 K52 A55 S62 L63	L40-P60 HydrophobicContact CD1-CB 3.85Å; L40-P60 HydrophobicContact CD2-CB 3.79Å; Y48-P60 HydrophobicContact CE2-CB 4.39Å; Y48-P60 HydrophobicContact CE2-CG 4.42Å; I51-P60 HydrophobicContact CG2-CB 3.73Å; I51-P60 HydrophobicContact CG2-CG 3.9Å; K52-P60 HydrophobicContact CB-CG 4.22Å; A55-P60 HydrophobicContact CB-CG 4.4Å; P60-S62 VanDerWaalsContact C-N 3.25Å; P60-S62 PolarHBondContact O-N 3.03Å; P60-L63 PolarHBondContact O-N 3.49Å
61	I	93.6	Very high	93.1	Very high	90 Å²	90	61.2 Å²	61.2	46%	0.462	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-70.1	-13.8	-179.9	-165.9	56.8	0	0	0	114.5	V36 A37 L40 K59	V36-I61 HydrophobicContact CG1-CD1 4.05Å; A37-I61 HydrophobicContact CB-CD1 3.98Å; L40-I61 HydrophobicContact CD1-CB 4.25Å; L40-I61 HydrophobicContact CD1-CD1 4.18Å; K59-I61 HydrophobicContact CB-CG2 4.11Å; K59-I61 PolarHBondContact O-N 3.41Å; K59-I61 VanDerWaalsContact O-N 3.11Å
62	S	93.7	Very high	93.1	Very high	78 Å²	78	61.2 Å²	61.2	55%	0.545	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-98.8	-0.8	176.8	55.6	0	0	0	0	113.7	K59 P60	K59-S62 PolarHBondContact N-OG 2.99Å; K59-S62 PolarHBondContact O-N 2.92Å; K59-S62 PolarHBondContact O-OG 3.03Å; P60-S62 VanDerWaalsContact C-N 3.25Å; P60-S62 PolarHBondContact O-N 3.03Å
63	L	93.7	Very high	93	Very high	25 Å²	25	56.2 Å²	56.2	13%	0.131	31%	0.305	C	S	.	.	S	Bend	trans	-94.1	145.4	175.9	-64.5	-179.6	0	0	0	111	A55 D58 P60 T67 L68 L71	A55-L63 HydrophobicContact CB-CD1 3.56Å; D58-L63 HydrophobicContact CB-CD2 4.15Å; P60-L63 PolarHBondContact O-N 3.49Å; L63-T67 HydrophobicContact CD1-CG2 4.32Å; L63-L68 HydrophobicContact CB-CD2 3.86Å; L63-L68 HydrophobicContact CB-CG 4.14Å; L63-L68 HydrophobicContact CD1-CD2 3.88Å; L63-L68 HydrophobicContact CG-CD2 4.47Å; L63-L71 HydrophobicContact CD1-CD1 4.31Å
64	P	95.1	Very high	92.9	Very high	79 Å²	79	56 Å²	56	51%	0.513	30%	0.301	S	S	.	.			trans	-59.1	151.5	170.9	-22.6	33.4	0	0	0	112.5	E66 T67 L68	P64-E66 VanDerWaalsContact C-N 3.33Å; P64-E66 PolarHBondContact O-N 3.06Å; P64-T67 WeakPolarHBondContact O-CB 3.35Å; P64-T67 PolarHBondContact O-N 3.46Å; P64-T67 VanDerWaalsContact O-N 3.09Å; P64-L68 PolarHBondContact O-N 2.81Å
65	Y	94.8	Very high	92.8	Very high	17 Å²	17	56.7 Å²	56.7	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-52.2	-48.7	176.9	170.2	-108.7	0	0	0	112.4	F20 E21 I35 F39 T67 L68 K69	F20-Y65 AromaticContact CD1-CE2 3.77Å; F20-Y65 HydrophobicContact CD1-CE2 3.77Å; F20-Y65 AromaticContact CD1-CZ 3.91Å; F20-Y65 HydrophobicContact CE1-CD2 4.11Å; F20-Y65 AromaticContact CE1-CE2 3.5Å; F20-Y65 HydrophobicContact CE1-CE2 3.5Å; F20-Y65 VanDerWaalsContact CE1-CE2 3.5Å; F20-Y65 AromaticContact CE1-CZ 3.97Å; E21-Y65 HydrophobicContact CG-CE1 4.39Å; E21-Y65 PolarHBondContact OE1-OH 2.8Å; I35-Y65 HydrophobicContact CD1-CD1 4.05Å; I35-Y65 HydrophobicContact CD1-CD2 4.36Å; I35-Y65 HydrophobicContact CD1-CE1 4.44Å; I35-Y65 HydrophobicContact CD1-CG 4.01Å; I35-Y65 HydrophobicContact CG1-CD2 4.29Å; I35-Y65 HydrophobicContact CG1-CG 4.3Å; F39-Y65 HydrophobicContact CB-CD2 4.22Å; F39-Y65 HydrophobicContact CB-CE2 4.34Å; F39-Y65 HydrophobicContact CD1-CD2 4.16Å; F39-Y65 HydrophobicContact CD1-CE2 4.18Å; F39-Y65 HydrophobicContact CD2-CD2 4.27Å; F39-Y65 AromaticContact CD2-CE2 3.62Å; F39-Y65 HydrophobicContact CD2-CE2 3.62Å; F39-Y65 HydrophobicContact CE1-CE2 4.34Å; F39-Y65 AromaticContact CE2-CE2 3.8Å; F39-Y65 HydrophobicContact CE2-CE2 3.8Å; F39-Y65 AromaticContact CG-CD2 3.97Å; F39-Y65 HydrophobicContact CG-CD2 3.97Å; F39-Y65 AromaticContact CG-CE2 3.79Å; F39-Y65 HydrophobicContact CG-CE2 3.79Å; F39-Y65 HydrophobicContact CZ-CE2 4.15Å; Y65-T67 VanDerWaalsContact C-N 3.28Å; Y65-T67 PolarHBondContact O-N 3.38Å; Y65-L68 WeakPolarHBondContact O-CA 3.24Å; Y65-L68 WeakPolarHBondContact O-CB 3.22Å; Y65-L68 PolarHBondContact O-N 3.37Å; Y65-K69 HydrophobicContact CE1-CD 4.19Å; Y65-K69 PolarHBondContact O-N 3.44Å
66	E	94.6	Very high	92.7	Very high	121 Å²	121	56.5 Å²	56.5	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-54.6	-41.1	177.4	-61.3	-51.5	133.8	0	0	113.1	P64 L68 K69 Q70	P64-E66 VanDerWaalsContact C-N 3.33Å; P64-E66 PolarHBondContact O-N 3.06Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 2.66Å; E66-K69 PolarHBondContact O-N 3.45Å; E66-Q70 WeakPolarHBondContact O-CB 3.29Å; E66-Q70 PolarHBondContact O-N 3.07Å
67	T	95.2	Very high	92.7	Very high	59 Å²	59	56.8 Å²	56.8	36%	0.362	30%	0.3	S	S	.	.	H	α-helix	trans	-65	-39.4	177.2	-50.5	0	0	0	0	111.1	L63 P64 Y65 L71	L63-T67 HydrophobicContact CD1-CG2 4.32Å; P64-T67 WeakPolarHBondContact O-CB 3.35Å; P64-T67 PolarHBondContact O-N 3.46Å; P64-T67 VanDerWaalsContact O-N 3.09Å; Y65-T67 VanDerWaalsContact C-N 3.28Å; Y65-T67 PolarHBondContact O-N 3.38Å; T67-L71 WeakPolarHBondContact O-CB 3.43Å; T67-L71 VanDerWaalsContact O-CG 3.26Å; T67-L71 WeakPolarHBondContact O-CG 3.29Å; T67-L71 PolarHBondContact O-N 3.11Å
68	L	95.5	Very high	92.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.5	-40.2	177.6	-60.9	179	0	0	0	112.4	V36 F39 L40 I51 L63 P64 Y65 E66 L72	V36-L68 HydrophobicContact CG1-CD1 3.66Å; F39-L68 HydrophobicContact CD1-CB 4.17Å; F39-L68 HydrophobicContact CD1-CD1 4.24Å; F39-L68 HydrophobicContact CE1-CB 3.87Å; L40-L68 HydrophobicContact CD1-CD1 4.47Å; L40-L68 HydrophobicContact CD2-CD1 4.06Å; L40-L68 HydrophobicContact CG-CD1 4.25Å; I51-L68 HydrophobicContact CD1-CB 4.38Å; I51-L68 HydrophobicContact CD1-CD2 4.47Å; I51-L68 HydrophobicContact CG2-CD2 3.61Å; L63-L68 HydrophobicContact CB-CD2 3.86Å; L63-L68 HydrophobicContact CB-CG 4.14Å; L63-L68 HydrophobicContact CD1-CD2 3.88Å; L63-L68 HydrophobicContact CG-CD2 4.47Å; P64-L68 PolarHBondContact O-N 2.81Å; Y65-L68 WeakPolarHBondContact O-CA 3.24Å; Y65-L68 WeakPolarHBondContact O-CB 3.22Å; Y65-L68 PolarHBondContact O-N 3.37Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 2.66Å; L68-L72 PolarHBondContact O-N 3.25Å
69	K	94.7	Very high	91.9	Very high	35 Å²	35	52.4 Å²	52.4	15%	0.152	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-49.2	173.2	-175.9	178	179.6	176.1	0	110.4	M17 E21 Y65 E66 L72 L73	M17-K69 HydrophobicContact CG-CG 4.46Å; M17-K69 HydrophobicContact SD-CG 4.3Å; E21-K69 IonicContact OE1-NZ 2.88Å; E21-K69 PolarHBondContact OE1-NZ 3.34Å; E21-K69 IonicContact OE2-NZ 2.65Å; Y65-K69 HydrophobicContact CE1-CD 4.19Å; Y65-K69 PolarHBondContact O-N 3.44Å; E66-K69 PolarHBondContact O-N 3.45Å; K69-L72 PolarHBondContact O-N 3.44Å; K69-L73 WeakPolarHBondContact O-CB 3.48Å; K69-L73 PolarHBondContact O-N 2.96Å
70	Q	94.2	Very high	91.2	Very high	87 Å²	87	48.4 Å²	48.4	41%	0.407	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-45	179.1	-169.5	66.3	41.9	0	0	112.8	E66 L72 L73 D74	E66-Q70 WeakPolarHBondContact O-CB 3.29Å; E66-Q70 PolarHBondContact O-N 3.07Å; Q70-L72 PolarHBondContact O-N 2.85Å; Q70-L73 WeakPolarHBondContact O-CB 3.35Å; Q70-L73 PolarHBondContact O-N 2.78Å; Q70-L73 VanDerWaalsContact O-N 3.12Å; Q70-D74 PolarHBondContact NE2-OD1 3.14Å; Q70-D74 VanDerWaalsContact O-CG 3.28Å; Q70-D74 PolarHBondContact O-N 3.48Å
71	L	94.3	Very high	90.4	Very high	27 Å²	27	50.2 Å²	50.2	14%	0.141	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-35.3	178.3	-76.5	176.3	0	0	0	113	L54 L63 T67	L54-L71 HydrophobicContact CB-CD1 4.22Å; L54-L71 HydrophobicContact CB-CD2 4.18Å; L54-L71 HydrophobicContact CD1-CB 4.1Å; L54-L71 WeakPolarHBondContact CD1-O 3.47Å; L63-L71 HydrophobicContact CD1-CD1 4.31Å; T67-L71 WeakPolarHBondContact O-CB 3.43Å; T67-L71 VanDerWaalsContact O-CG 3.26Å; T67-L71 WeakPolarHBondContact O-CG 3.29Å; T67-L71 PolarHBondContact O-N 3.11Å
72	L	93.9	Very high	88.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-75.6	-43.1	173.7	-69.8	178.4	0	0	0	112	L4 L6 F13 M17 F39 A47 L50 I51 L68 K69 Q70 D74 H75 V76	L4-L72 HydrophobicContact CD2-CD1 3.72Å; L6-L72 HydrophobicContact CD2-CD2 3.99Å; F13-L72 HydrophobicContact CE2-CB 3.7Å; F13-L72 HydrophobicContact CZ-CB 3.87Å; M17-L72 HydrophobicContact CE-CD1 4.02Å; F39-L72 HydrophobicContact CE1-CD1 4.22Å; F39-L72 HydrophobicContact CZ-CD1 3.91Å; A47-L72 HydrophobicContact CB-CD2 4.37Å; L50-L72 HydrophobicContact CD2-CD2 3.8Å; L50-L72 HydrophobicContact CG-CD2 4.43Å; I51-L72 HydrophobicContact CD1-CD1 3.9Å; I51-L72 HydrophobicContact CD1-CD2 4.17Å; I51-L72 HydrophobicContact CD1-CG 3.94Å; I51-L72 HydrophobicContact CG1-CD1 4.38Å; I51-L72 HydrophobicContact CG1-CD2 3.74Å; I51-L72 HydrophobicContact CG1-CG 3.91Å; L68-L72 PolarHBondContact O-N 3.25Å; K69-L72 PolarHBondContact O-N 3.44Å; Q70-L72 PolarHBondContact O-N 2.85Å; L72-D74 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 3.45Å; L72-H75 WeakPolarHBondContact O-CB 3.27Å; L72-H75 PolarHBondContact O-N 3.17Å; L72-H75 VanDerWaalsContact O-N 3.14Å; L72-V76 WeakPolarHBondContact O-CG2 3.18Å; L72-V76 PolarHBondContact O-N 2.89Å
73	L	92.2	Very high	86.7	Confident	17 Å²	17	50.1 Å²	50.1	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-44.3	178.2	-179.5	66.5	0	0	0	111.7	F10 F13 E14 K69 Q70 H75 V76 K77	F10-L73 HydrophobicContact CD2-CD1 4.43Å; F10-L73 HydrophobicContact CE2-CD1 3.42Å; F10-L73 VanDerWaalsContact CE2-CD1 3.42Å; F10-L73 HydrophobicContact CZ-CD1 3.78Å; F13-L73 HydrophobicContact CD1-CD1 3.95Å; F13-L73 HydrophobicContact CE1-CB 3.92Å; F13-L73 HydrophobicContact CE1-CD1 3.6Å; F13-L73 HydrophobicContact CE1-CG 4.36Å; F13-L73 HydrophobicContact CZ-CB 4.03Å; F13-L73 HydrophobicContact CZ-CD1 4.49Å; E14-L73 WeakPolarHBondContact OE1-CD1 3.23Å; K69-L73 WeakPolarHBondContact O-CB 3.48Å; K69-L73 PolarHBondContact O-N 2.96Å; Q70-L73 WeakPolarHBondContact O-CB 3.35Å; Q70-L73 PolarHBondContact O-N 2.78Å; Q70-L73 VanDerWaalsContact O-N 3.12Å; L73-H75 VanDerWaalsContact C-N 3.32Å; L73-H75 PolarHBondContact O-N 2.91Å; L73-V76 PolarHBondContact O-N 3.46Å; L73-K77 HydrophobicContact CG-CD 4.22Å; L73-K77 WeakPolarHBondContact O-CB 3.29Å; L73-K77 VanDerWaalsContact O-CG 3.29Å; L73-K77 WeakPolarHBondContact O-CG 3.43Å; L73-K77 PolarHBondContact O-N 3.4Å
74	D	90.3	Very high	84.3	Confident	50 Å²	50	51.3 Å²	51.3	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-37.4	177.5	-67.2	-20.6	0	0	0	111.7	Q70 L72 Y78 I133	Q70-D74 PolarHBondContact NE2-OD1 3.14Å; Q70-D74 VanDerWaalsContact O-CG 3.28Å; Q70-D74 PolarHBondContact O-N 3.48Å; L72-D74 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 3.45Å; D74-Y78 WeakPolarHBondContact O-CB 3.34Å; D74-Y78 PolarHBondContact O-N 2.91Å; D74-I133 HydrophobicContact CB-CD1 4.36Å
75	H	89.4	Confident	81.9	Confident	36 Å²	36	54.2 Å²	54.2	17%	0.167	29%	0.288	C	S	.	.	H	α-helix	trans	-66.4	-45.6	174.7	-172.3	75.4	0	0	0	112.1	L50 L72 L73 Y78 T79	L50-H75 HydrophobicContact CD2-CB 3.86Å; L50-H75 WeakPolarHBondContact CD2-CD2 3.49Å; L50-H75 VanDerWaalsContact CD2-CG 3.47Å; L72-H75 WeakPolarHBondContact O-CB 3.27Å; L72-H75 PolarHBondContact O-N 3.17Å; L72-H75 VanDerWaalsContact O-N 3.14Å; L73-H75 VanDerWaalsContact C-N 3.32Å; L73-H75 PolarHBondContact O-N 2.91Å; H75-Y78 WeakPolarHBondContact O-CB 3.48Å; H75-Y78 PolarHBondContact O-N 3.29Å; H75-T79 WeakPolarHBondContact O-CG2 3.19Å; H75-T79 PolarHBondContact O-N 3.07Å; H75-T79 PolarHBondContact O-OG1 2.91Å
76	V	89.1	Confident	79.3	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-37.3	178.6	172.6	0	0	0	0	111.4	F13 L72 L73 T79 N80	F13-V76 HydrophobicContact CB-CG1 4.14Å; F13-V76 HydrophobicContact CD2-CB 4.39Å; F13-V76 HydrophobicContact CD2-CG2 3.71Å; F13-V76 HydrophobicContact CE2-CG2 4.13Å; F13-V76 HydrophobicContact CG-CG1 4.33Å; F13-V76 HydrophobicContact CG-CG2 4.27Å; L72-V76 WeakPolarHBondContact O-CG2 3.18Å; L72-V76 PolarHBondContact O-N 2.89Å; L73-V76 PolarHBondContact O-N 3.46Å; V76-T79 PolarHBondContact O-OG1 2.88Å; V76-T79 VanDerWaalsContact O-OG1 3.1Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.46Å; V76-N80 WeakPolarHBondContact O-CB 3.39Å; V76-N80 PolarHBondContact O-N 3.35Å; V76-N80 VanDerWaalsContact O-N 3.16Å; V76-N80 PolarHBondContact O-ND2 3.23Å
77	K	88.2	Confident	76.6	Confident	93 Å²	93	61.7 Å²	61.7	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-45.7	170.2	-74.4	170.4	179.8	170.3	0	111.4	F10 L73 S81	F10-K77 HydrophobicContact CD2-CG 4.22Å; F10-K77 HydrophobicContact CE2-CD 4.46Å; F10-K77 HydrophobicContact CE2-CG 3.88Å; L73-K77 HydrophobicContact CG-CD 4.22Å; L73-K77 WeakPolarHBondContact O-CB 3.29Å; L73-K77 VanDerWaalsContact O-CG 3.29Å; L73-K77 WeakPolarHBondContact O-CG 3.43Å; L73-K77 PolarHBondContact O-N 3.4Å; K77-S81 VanDerWaalsContact O-CB 3.3Å; K77-S81 WeakPolarHBondContact O-CB 3.46Å; K77-S81 PolarHBondContact O-N 3.49Å
78	Y	83.8	Confident	74	Confident	71 Å²	71	67 Å²	67	28%	0.278	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-52	178.8	175.2	-85.7	0	0	0	111.8	D74 H75 N80 S81 E82 F142	D74-Y78 WeakPolarHBondContact O-CB 3.34Å; D74-Y78 PolarHBondContact O-N 2.91Å; H75-Y78 WeakPolarHBondContact O-CB 3.48Å; H75-Y78 PolarHBondContact O-N 3.29Å; Y78-N80 PolarHBondContact O-N 3.19Å; Y78-S81 PolarHBondContact O-N 3.45Å; Y78-S81 VanDerWaalsContact O-N 3.15Å; Y78-S81 PolarHBondContact O-OG 3.19Å; Y78-E82 VanDerWaalsContact CE1-OE2 3.25Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.47Å; Y78-E82 VanDerWaalsContact CZ-OE2 3.31Å; Y78-E82 PolarHBondContact O-N 3.28Å; Y78-E82 VanDerWaalsContact OH-CD 3.27Å; Y78-E82 PolarHBondContact OH-OE2 2.59Å; Y78-F142 HydrophobicContact CE1-CE1 4.22Å
79	T	80.7	Confident	71.4	Confident	50 Å²	50	69.8 Å²	69.8	31%	0.307	36%	0.355	S	S	.	.	H	α-helix	trans	-61.3	-45	-177.6	52.3	0	0	0	0	112	H75 V76 S81 E82	H75-T79 WeakPolarHBondContact O-CG2 3.19Å; H75-T79 PolarHBondContact O-N 3.07Å; H75-T79 PolarHBondContact O-OG1 2.91Å; V76-T79 PolarHBondContact O-OG1 2.88Å; V76-T79 VanDerWaalsContact O-OG1 3.1Å; T79-S81 VanDerWaalsContact C-N 3.34Å; T79-S81 PolarHBondContact O-N 2.95Å; T79-E82 PolarHBondContact O-N 3.12Å
80	N	76.6	Confident	68.9	Low	68 Å²	68	72 Å²	72	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-64	-36.7	175.5	-78.2	-65	0	0	0	112.3	V76 Y78	V76-N80 WeakPolarHBondContact CG1-ND2 3.46Å; V76-N80 WeakPolarHBondContact O-CB 3.39Å; V76-N80 PolarHBondContact O-N 3.35Å; V76-N80 VanDerWaalsContact O-N 3.16Å; V76-N80 PolarHBondContact O-ND2 3.23Å; Y78-N80 PolarHBondContact O-N 3.19Å
81	S	74.9	Confident	66.4	Low	50 Å²	50	74.7 Å²	74.7	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-69.9	-32.1	177.9	84.1	0	0	0	0	114	K77 Y78 T79 C83 G84	K77-S81 VanDerWaalsContact O-CB 3.3Å; K77-S81 WeakPolarHBondContact O-CB 3.46Å; K77-S81 PolarHBondContact O-N 3.49Å; Y78-S81 PolarHBondContact O-N 3.45Å; Y78-S81 VanDerWaalsContact O-N 3.15Å; Y78-S81 PolarHBondContact O-OG 3.19Å; T79-S81 VanDerWaalsContact C-N 3.34Å; T79-S81 PolarHBondContact O-N 2.95Å; S81-C83 VanDerWaalsContact C-N 3.34Å; S81-G84 PolarHBondContact O-N 3.45Å
82	E	59.3	Low	63.7	Low	57 Å²	57	79.4 Å²	79.4	27%	0.266	40%	0.401	S	S	.	.	H	α-helix	trans	-73.8	-28.9	-176.5	-168.9	163.9	-164.4	0	0	111.8	Y78 T79 G84 K85 R86	Y78-E82 VanDerWaalsContact CE1-OE2 3.25Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.47Å; Y78-E82 VanDerWaalsContact CZ-OE2 3.31Å; Y78-E82 PolarHBondContact O-N 3.28Å; Y78-E82 VanDerWaalsContact OH-CD 3.27Å; Y78-E82 PolarHBondContact OH-OE2 2.59Å; T79-E82 PolarHBondContact O-N 3.12Å; E82-G84 VanDerWaalsContact C-N 3.33Å; E82-G84 PolarHBondContact O-N 3.1Å; E82-K85 PolarHBondContact O-N 3.28Å; E82-R86 HydrophobicContact CG-CG 4.38Å; E82-R86 IonicContact OE1-CZ 3.23Å; E82-R86 VanDerWaalsContact OE1-CZ 3.23Å; E82-R86 IonicContact OE1-NE 3.06Å; E82-R86 PolarHBondContact OE1-NE 3.07Å; E82-R86 IonicContact OE1-NH2 2.66Å; E82-R86 PolarHBondContact OE1-NH2 2.97Å; E82-R86 IonicContact OE2-NH2 3.45Å; E82-R86 PolarHBondContact OE2-NH2 3.45Å
83	C	50.7	Low	61.1	Low	108 Å²	108	83 Å²	83	73%	0.73	42%	0.423	S	S	*	.	H	α-helix	trans	-59.8	-40.1	172.4	-163.5	0	0	0	0	112.2	S81	S81-C83 VanDerWaalsContact C-N 3.34Å
84	G	43.1	Very low	58.8	Low	51 Å²	51	90.4 Å²	90.4	53%	0.526	45%	0.45	S	S	.	.	H	α-helix	trans	-78.1	-15.9	-179.3	0	0	0	0	0	116.1	S81 E82	S81-G84 PolarHBondContact O-N 3.45Å; E82-G84 VanDerWaalsContact C-N 3.33Å; E82-G84 PolarHBondContact O-N 3.1Å
85	K	43.7	Very low	56.8	Low	139 Å²	139	93.2 Å²	93.2	60%	0.604	46%	0.462	S	S	*	.	H	α-helix	trans	-96.5	-34.8	-173.8	-71.9	176	-178.6	171	0	113.6	E82 E87 K88	E82-K85 PolarHBondContact O-N 3.28Å; K85-E87 PolarHBondContact O-N 3.15Å; K85-K88 PolarHBondContact O-N 3.03Å
86	R	41	Very low	54.4	Low	156 Å²	156	95.8 Å²	95.8	59%	0.589	48%	0.477	S	S	*	.	H	α-helix	trans	-66.9	-31.7	-173.9	-69.3	-178.9	179.2	179.2	2.7	114.3	E82 K88 S89 D90	E82-R86 HydrophobicContact CG-CG 4.38Å; E82-R86 IonicContact OE1-CZ 3.23Å; E82-R86 VanDerWaalsContact OE1-CZ 3.23Å; E82-R86 IonicContact OE1-NE 3.06Å; E82-R86 PolarHBondContact OE1-NE 3.07Å; E82-R86 IonicContact OE1-NH2 2.66Å; E82-R86 PolarHBondContact OE1-NH2 2.97Å; E82-R86 IonicContact OE2-NH2 3.45Å; E82-R86 PolarHBondContact OE2-NH2 3.45Å; R86-K88 VanDerWaalsContact C-N 3.29Å; R86-K88 PolarHBondContact O-N 3.36Å; R86-S89 PolarHBondContact O-OG 2.83Å; R86-S89 VanDerWaalsContact O-OG 3.05Å; R86-D90 PolarHBondContact O-N 3.46Å
87	E	37.5	Very low	52.4	Low	140 Å²	140	100.4 Å²	100.4	65%	0.654	50%	0.5	S	S	*	.	H	α-helix	trans	-67.5	-24.1	177.5	-97.5	-147.8	116.5	0	0	114.5	K85 K91	K85-E87 PolarHBondContact O-N 3.15Å; E87-K91 IonicContact OE1-NZ 3.89Å
88	K	40.5	Very low	50.2	Low	170 Å²	170	105 Å²	105	74%	0.739	52%	0.515	S	S	*	.	H	α-helix	trans	-88.6	-33.8	-178.9	-71.6	176.5	179.9	170.2	0	112.4	K85 R86	K85-K88 PolarHBondContact O-N 3.03Å; R86-K88 VanDerWaalsContact C-N 3.29Å; R86-K88 PolarHBondContact O-N 3.36Å
89	S	41.8	Very low	48.3	Very low	58 Å²	58	105.5 Å²	105.5	41%	0.406	52%	0.523	S	S	.	.	H	α-helix	trans	-69.8	-35.8	177.1	47.5	0	0	0	0	113.4	R86 T93	R86-S89 PolarHBondContact O-OG 2.83Å; R86-S89 VanDerWaalsContact O-OG 3.05Å; S89-T93 PolarHBondContact O-N 2.73Å; S89-T93 PolarHBondContact O-OG1 2.94Å
90	D	41.8	Very low	46.4	Very low	81 Å²	81	107.3 Å²	107.3	43%	0.433	54%	0.538	S	S	.	.	H	α-helix	trans	-72.4	-32.1	-174.6	-108.7	42.2	0	0	0	113.7	R86 R94	R86-D90 PolarHBondContact O-N 3.46Å; D90-R94 WeakPolarHBondContact O-CG 3.32Å; D90-R94 PolarHBondContact O-N 3.11Å; D90-R94 IonicContact OD2-CZ 3.87Å; D90-R94 IonicContact OD2-NE 3.97Å; D90-R94 IonicContact OD2-NH2 2.95Å; D90-R94 PolarHBondContact OD2-NH2 2.95Å
91	K	41.6	Very low	44.8	Very low	145 Å²	145	110.4 Å²	110.4	63%	0.63	55%	0.553	S	S	*	*	H	α-helix	trans	-70.9	-41.1	176.2	-76.2	169.5	179.5	155.4	0	111.9	E87 Q95	E87-K91 IonicContact OE1-NZ 3.89Å; K91-Q95 PolarHBondContact O-N 3.16Å
92	M	37.3	Very low	43	Very low	125 Å²	125	112.9 Å²	112.9	62%	0.616	57%	0.566	S	S	*	*	H	α-helix	trans	-63.6	-43.6	175.8	-171.9	73.4	97.5	0	0	111.5	Q95 N96	M92-Q95 PolarHBondContact O-N 3.24Å; M92-N96 PolarHBondContact O-N 3.11Å; M92-N96 VanDerWaalsContact O-N 3.11Å; M92-N96 PolarHBondContact O-ND2 3.35Å
93	T	40.4	Very low	41.7	Very low	75 Å²	75	117.4 Å²	117.4	46%	0.46	59%	0.591	S	S	.	*	H	α-helix	trans	-69	-39.9	-174.1	-50.8	0	0	0	0	112.3	S89 I97	S89-T93 PolarHBondContact O-N 2.73Å; S89-T93 PolarHBondContact O-OG1 2.94Å; T93-I97 HydrophobicContact CG2-CD1 4.12Å; T93-I97 WeakPolarHBondContact O-CG1 3.11Å; T93-I97 PolarHBondContact O-N 3.34Å
94	R	43.1	Very low	40.8	Very low	173 Å²	173	117.7 Å²	117.7	65%	0.653	59%	0.591	S	S	*	*	H	α-helix	trans	-68.6	-35.9	175.6	-66.4	-178.5	-154	179.4	9.9	113	D90 R98	D90-R94 WeakPolarHBondContact O-CG 3.32Å; D90-R94 PolarHBondContact O-N 3.11Å; D90-R94 IonicContact OD2-CZ 3.87Å; D90-R94 IonicContact OD2-NE 3.97Å; D90-R94 IonicContact OD2-NH2 2.95Å; D90-R94 PolarHBondContact OD2-NH2 2.95Å; R94-R98 WeakPolarHBondContact O-CB 3.33Å; R94-R98 PolarHBondContact O-N 3.41Å
95	Q	47.3	Very low	40	Very low	109 Å²	109	120.5 Å²	120.5	51%	0.509	60%	0.603	S	S	.	*	H	α-helix	trans	-67.9	-42	178.4	-156.6	74.8	3	0	0	111.4	K91 M92 R98 N99	K91-Q95 PolarHBondContact O-N 3.16Å; M92-Q95 PolarHBondContact O-N 3.24Å; Q95-R98 PolarHBondContact O-N 3.27Å; Q95-N99 VanDerWaalsContact O-CG 3.3Å; Q95-N99 PolarHBondContact O-N 3.34Å
96	N	40.9	Very low	39.6	Very low	91 Å²	91	125.8 Å²	125.8	49%	0.487	62%	0.619	S	S	.	*	H	α-helix	trans	-69.5	-37.9	-179.4	-71.7	-18	0	0	0	112.9	M92 R98 S100	M92-N96 PolarHBondContact O-N 3.11Å; M92-N96 VanDerWaalsContact O-N 3.11Å; M92-N96 PolarHBondContact O-ND2 3.35Å; N96-R98 VanDerWaalsContact C-N 3.32Å; N96-R98 PolarHBondContact O-N 3.33Å; N96-S100 WeakPolarHBondContact O-CB 3.43Å; N96-S100 PolarHBondContact O-N 2.81Å; N96-S100 VanDerWaalsContact O-N 3.08Å; N96-S100 PolarHBondContact O-OG 3.41Å
97	I	45.9	Very low	39	Very low	98 Å²	98	129.2 Å²	129.2	50%	0.503	63%	0.632	S	S	.	*	H	α-helix	trans	-63.5	-37.7	171.6	-66.4	167.8	0	0	0	111.2	T93 S100 I101	T93-I97 HydrophobicContact CG2-CD1 4.12Å; T93-I97 WeakPolarHBondContact O-CG1 3.11Å; T93-I97 PolarHBondContact O-N 3.34Å; I97-S100 WeakPolarHBondContact CA-OG 3.44Å; I97-S100 PolarHBondContact O-OG 3.15Å; I97-S100 VanDerWaalsContact O-OG 3.13Å; I97-I101 HydrophobicContact CG2-CD1 4.05Å; I97-I101 WeakPolarHBondContact O-CD1 3.42Å; I97-I101 WeakPolarHBondContact O-CG1 3.39Å
98	R	41.6	Very low	38.6	Very low	189 Å²	189	128 Å²	128	71%	0.713	64%	0.639	S	S	*	*	H	α-helix	trans	-68.7	-42.5	178.7	-156	174.9	-151.4	157.9	6.2	112.9	R94 Q95 N96 T102	R94-R98 WeakPolarHBondContact O-CB 3.33Å; R94-R98 PolarHBondContact O-N 3.41Å; Q95-R98 PolarHBondContact O-N 3.27Å; N96-R98 VanDerWaalsContact C-N 3.32Å; N96-R98 PolarHBondContact O-N 3.33Å; R98-T102 PolarHBondContact O-OG1 3.5Å; R98-T102 VanDerWaalsContact O-OG1 3.07Å
99	N	44.5	Very low	38.3	Very low	82 Å²	82	125.6 Å²	125.6	44%	0.439	64%	0.644	S	S	.	*	H	α-helix	trans	-73.8	-31.2	-178.1	-68.8	-6.9	0	0	0	112.8	Q95 I101 T102	Q95-N99 VanDerWaalsContact O-CG 3.3Å; Q95-N99 PolarHBondContact O-N 3.34Å; N99-I101 VanDerWaalsContact C-N 3.3Å; N99-I101 PolarHBondContact O-N 3.13Å; N99-T102 PolarHBondContact O-N 2.88Å
100	S	40	Very low	37.7	Very low	89 Å²	89	130.5 Å²	130.5	62%	0.622	66%	0.662	S	S	*	*	H	α-helix	trans	-72.6	-19.4	178.2	46.9	0	0	0	0	114	N96 I97	N96-S100 WeakPolarHBondContact O-CB 3.43Å; N96-S100 PolarHBondContact O-N 2.81Å; N96-S100 VanDerWaalsContact O-N 3.08Å; N96-S100 PolarHBondContact O-OG 3.41Å; I97-S100 WeakPolarHBondContact CA-OG 3.44Å; I97-S100 PolarHBondContact O-OG 3.15Å; I97-S100 VanDerWaalsContact O-OG 3.13Å
101	I	43.9	Very low	37.2	Very low	133 Å²	133	138.2 Å²	138.2	68%	0.682	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-9.9	179.5	-66.4	169.7	0	0	0	112.5	I97 N99	I97-I101 HydrophobicContact CG2-CD1 4.05Å; I97-I101 WeakPolarHBondContact O-CD1 3.42Å; I97-I101 WeakPolarHBondContact O-CG1 3.39Å; N99-I101 VanDerWaalsContact C-N 3.3Å; N99-I101 PolarHBondContact O-N 3.13Å
102	T	36.3	Very low	36.7	Very low	101 Å²	101	137.9 Å²	137.9	62%	0.62	69%	0.69	S	S	*	*	S	Bend	trans	-126.2	12.2	-168.3	37.8	0	0	0	0	117.3	R98 N99 P104	R98-T102 PolarHBondContact O-OG1 3.5Å; R98-T102 VanDerWaalsContact O-OG1 3.07Å; N99-T102 PolarHBondContact O-N 2.88Å; T102-P104 WeakPolarHBondContact O-CD 3.39Å
103	L	32.8	Very low	36.6	Very low	152 Å²	152	142 Å²	142	80%	0.796	71%	0.705	S	S	*	*			trans	-99.1	110.2	174.1	-83.4	164.9	0	0	0	112.6
104	P	31.8	Very low	36.3	Very low	114 Å²	114	144.1 Å²	144.1	74%	0.74	72%	0.723	S	S	*	*			trans	-75.7	142.2	-178.3	29.8	-34.5	0	0	0	113	T102 R106	T102-P104 WeakPolarHBondContact O-CD 3.39Å; P104-R106 PolarHBondContact O-N 2.93Å
105	S	26.3	Very low	35.6	Very low	110 Å²	110	145.4 Å²	145.4	77%	0.769	73%	0.729	S	S	*	*			trans	-39.9	127.1	178.4	-163.9	0	0	0	0	115.3
106	R	34.3	Very low	35	Very low	251 Å²	251	145.7 Å²	145.7	95%	0.947	74%	0.74	S	S	*	*			trans	-129.2	122.4	155.2	-77.2	-168	173.6	-167.6	-0.6	109.9	P104	P104-R106 PolarHBondContact O-N 2.93Å
107	R	28.8	Very low	34.4	Very low	227 Å²	227	147.4 Å²	147.4	86%	0.857	75%	0.749	S	S	*	*			trans	-80.7	153	-176.1	-71	179	172.3	-178.9	-5.2	112.7
108	S	29.4	Very low	33.7	Very low	114 Å²	114	150 Å²	150	80%	0.797	76%	0.764	S	S	*	*			trans	59.8	116.8	143	62.3	0	0	0	0	120.7
109	S	33.8	Very low	32.9	Very low	120 Å²	120	147.2 Å²	147.2	84%	0.839	77%	0.768	S	S	*	*				-153.5	127.5	120	-159.5	0	0	0	0	110.4
110	M	29.9	Very low	32	Very low	161 Å²	161	148.2 Å²	148.2	79%	0.793	78%	0.782	S	S	*	*			trans	-91.2	147.1	-177.8	-73.4	-172.7	136.1	0	0	112.5
111	R	32.4	Very low	31.5	Very low	244 Å²	244	151.1 Å²	151.1	92%	0.921	79%	0.79	S	S	*	*			trans	-157.5	124.3	139.5	-131	170.8	-72	-145.5	2.4	112.5
112	N	29.3	Very low	30.9	Very low	137 Å²	137	153.2 Å²	153.2	73%	0.733	80%	0.8	S	S	*	*			trans	-78.1	150.8	-173.8	-57.9	-17.5	0	0	0	112.8
113	K	36.4	Very low	30.4	Very low	211 Å²	211	157.4 Å²	157.4	92%	0.917	81%	0.811	S	S	*	*			trans	-147.8	135.3	146.4	-111.5	179.7	-178.6	-176.8	0	110.9
114	S	33.4	Very low	30	Very low	120 Å²	120	158.4 Å²	158.4	84%	0.839	81%	0.811	S	S	*	*			trans	-50.1	143.2	-166.6	-153.1	0	0	0	0	117.9
115	Y	29	Very low	29.9	Very low	200 Å²	200	159.5 Å²	159.5	78%	0.784	82%	0.816	S	S	*	*			trans	-77.3	166.7	152.2	-105.6	-94.9	0	0	0	110.2
116	P	34.1	Very low	29.9	Very low	115 Å²	115	160.6 Å²	160.6	75%	0.747	82%	0.818	S	S	*	*				-137.1	171.8	89.3	39.2	-26	0	0	0	114.8
117	D	28.3	Very low	29.9	Very low	127 Å²	127	155.7 Å²	155.7	68%	0.679	81%	0.805	S	S	*	*			trans	-56.1	154.2	-177.6	-48.1	-74.7	0	0	0	114.9
118	N	30.7	Very low	29.8	Very low	153 Å²	153	154.1 Å²	154.1	82%	0.818	81%	0.807	S	S	*	*				173.2	127.5	122.1	-84.4	-39.7	0	0	0	112.1
119	T	26.6	Very low	29.8	Very low	130 Å²	130	154.8 Å²	154.8	80%	0.798	80%	0.802	S	S	*	*			trans	6.1	138.3	144.9	-39.9	0	0	0	0	119.7
120	S	25.5	Very low	29.8	Very low	104 Å²	104	158 Å²	158	73%	0.727	80%	0.804	S	S	*	*			trans	92.8	157.1	166.1	80.4	0	0	0	0	118
121	L	28.8	Very low	30.6	Very low	150 Å²	150	157.8 Å²	157.8	79%	0.785	80%	0.801	S	S	*	*			trans	76.6	77.2	172.3	-53.7	172.7	0	0	0	118.4
122	I	30.5	Very low	31.4	Very low	176 Å²	176	153.3 Å²	153.3	90%	0.903	79%	0.79	S	S	*	*				-130.3	77.6	115	-51.8	-178	0	0	0	107.7
123	F	26.7	Very low	32.7	Very low	190 Å²	190	149.1 Å²	149.1	83%	0.833	77%	0.767	S	S	*	*			trans	-98.9	164.9	149.6	-109.7	-95.4	0	0	0	106.7
124	E	24.8	Very low	34	Very low	172 Å²	172	141.7 Å²	141.7	80%	0.804	74%	0.742	S	S	*	*			trans	77.3	83.5	178.8	-52.9	-177	154.4	0	0	116.7
125	T	29.6	Very low	36	Very low	137 Å²	137	141.3 Å²	141.3	84%	0.84	73%	0.725	S	S	*	*				-130.2	125.3	116.1	47	0	0	0	0	108.5	H127	T125-H127 PolarHBondContact O-N 3.22Å
126	V	26.3	Very low	38.6	Very low	133 Å²	133	131.8 Å²	131.8	81%	0.806	69%	0.688	S	S	*	*			trans	-84.8	106.2	178.9	-179.7	0	0	0	0	108.7
127	H	33	Very low	40.7	Very low	149 Å²	149	132.9 Å²	132.9	69%	0.69	69%	0.687	S	S	*	*			trans	-136.6	139.5	161.8	-85.4	-73.8	0	0	0	108.8	T125 D129	T125-H127 PolarHBondContact O-N 3.22Å; H127-D129 PolarHBondContact O-N 3.41Å
128	E	26.5	Very low	43.4	Very low	193 Å²	193	129 Å²	129	90%	0.902	66%	0.663	S	S	*	*			trans	-80.2	78.3	177.3	-62.7	-160	166.3	0	0	109.1	E130	E128-E130 PolarHBondContact O-N 2.82Å
129	D	30.6	Very low	46	Very low	129 Å²	129	122.1 Å²	122.1	69%	0.69	63%	0.627	S	S	*	*			trans	-78.1	114.9	-177.7	-67.9	-22.7	0	0	0	110.6	H127 H131	H127-D129 PolarHBondContact O-N 3.41Å; D129-H131 PolarHBondContact O-N 3.12Å
130	E	32.5	Very low	48.4	Very low	187 Å²	187	116.8 Å²	116.8	87%	0.874	60%	0.599	S	S	*	*			trans	-45.3	131.6	169.9	-62	176.7	149.5	0	0	110.2	E128 E132	E128-E130 PolarHBondContact O-N 2.82Å; E130-E132 VanDerWaalsContact C-N 3.28Å; E130-E132 PolarHBondContact O-N 2.94Å
131	H	47.7	Very low	51	Low	157 Å²	157	116 Å²	116	73%	0.727	58%	0.582	S	S	*	*			trans	-70.7	81.8	-177.4	-76.9	-20.7	0	0	0	111.9	D129 I133	D129-H131 PolarHBondContact O-N 3.12Å; H131-I133 PolarHBondContact O-N 3.36Å; H131-I133 VanDerWaalsContact O-N 3.15Å
132	E	48	Very low	53.2	Low	150 Å²	150	111.2 Å²	111.2	70%	0.701	56%	0.555	S	S	*	*			trans	-49.5	118.2	176.4	-163.5	180	-152.8	0	0	109.8	E130 S134	E130-E132 VanDerWaalsContact C-N 3.28Å; E130-E132 PolarHBondContact O-N 2.94Å; E132-S134 PolarHBondContact O-N 2.8Å
133	I	57.4	Low	55.5	Low	49 Å²	49	104.3 Å²	104.3	25%	0.251	52%	0.518	S	S	.	.			trans	-73.9	68.6	-176.4	-52	179.6	0	0	0	109.6	D74 H131 F142	D74-I133 HydrophobicContact CB-CD1 4.36Å; H131-I133 PolarHBondContact O-N 3.36Å; H131-I133 VanDerWaalsContact O-N 3.15Å; I133-F142 HydrophobicContact CG2-CB 4.06Å
134	S	63.1	Low	57.8	Low	54 Å²	54	97.8 Å²	97.8	38%	0.378	50%	0.495	S	S	.	.			trans	-66	148.3	175.3	53.4	0	0	0	0	110.9	E132 C136	E132-S134 PolarHBondContact O-N 2.8Å; S134-C136 PolarHBondContact O-N 3.35Å; S134-C136 VanDerWaalsContact O-N 3.1Å
135	K	76.8	Confident	60.3	Low	113 Å²	113	91 Å²	91	49%	0.491	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-62.6	114.4	173.3	-173.6	176.4	-178	174.7	0	109.2	L137 G140 F142	K135-L137 PolarHBondContact O-N 3Å; K135-L137 VanDerWaalsContact O-N 3.08Å; K135-G140 WeakPolarHBondContact CE-O 3.35Å; K135-F142 HydrophobicContact CB-CD1 4.19Å; K135-F142 HydrophobicContact CB-CE1 3.81Å; K135-F142 HydrophobicContact CB-CZ 4.32Å; K135-F142 HydrophobicContact CD-CZ 4.3Å; K135-F142 HydrophobicContact CG-CE1 4.26Å; K135-F142 HydrophobicContact CG-CZ 4.3Å
136	C	82.2	Confident	62.5	Low	0 Å²	0	90.6 Å²	90.6	0%	0	46%	0.459	C	S	.	.			trans	-59.2	112.9	-173.2	176.4	0	0	0	0	111.4	S134 F138 C139 G140 K141 Y143	S134-C136 PolarHBondContact O-N 3.35Å; S134-C136 VanDerWaalsContact O-N 3.1Å; C136-F138 PolarHBondContact O-N 3.45Å; C136-C139 PolarHBondContact O-N 3.34Å; C136-C139 VanDerWaalsContact O-N 3.15Å; C136-C139 VanDerWaalsContact SG-SG 3.69Å; C136-G140 WeakPolarHBondContact O-CA 3.13Å; C136-G140 PolarHBondContact O-N 3.3Å; C136-K141 WeakPolarHBondContact CB-O 3.41Å; C136-K141 PolarHBondContact N-O 2.94Å; C136-Y143 HydrophobicContact CB-CE2 4.41Å
137	L	79.6	Confident	64.9	Low	138 Å²	138	88 Å²	88	72%	0.723	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.7	-176.3	-64.4	173.8	0	0	0	113.1	K135 L167	K135-L137 PolarHBondContact O-N 3Å; K135-L137 VanDerWaalsContact O-N 3.08Å; L137-L167 WeakPolarHBondContact O-CD1 3.44Å
138	F	85	Confident	67.3	Low	44 Å²	44	81.4 Å²	81.4	19%	0.193	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-34.7	-179.7	-55.6	-64.7	0	0	0	113.5	C136 C145 C148 F150 R151 G162 H163 I164	C136-F138 PolarHBondContact O-N 3.45Å; F138-C145 HydrophobicContact CD2-CB 4.28Å; F138-C145 HydrophobicContact CE2-CB 3.95Å; F138-C148 HydrophobicContact CB-CB 4.22Å; F138-C148 VanDerWaalsContact CB-SG 3.56Å; F138-C148 HydrophobicContact CD2-CB 3.97Å; F138-C148 HydrophobicContact CG-CB 4.45Å; F138-F150 HydrophobicContact CB-CB 4.29Å; F138-R151 HydrophobicContact CD1-CB 4.45Å; F138-R151 HydrophobicContact CD2-CB 4.07Å; F138-R151 HydrophobicContact CD2-CG 4.24Å; F138-R151 HydrophobicContact CE1-CG 4.15Å; F138-R151 HydrophobicContact CE2-CB 4.12Å; F138-R151 HydrophobicContact CE2-CG 3.76Å; F138-R151 HydrophobicContact CG-CB 4.26Å; F138-R151 HydrophobicContact CZ-CB 4.37Å; F138-R151 HydrophobicContact CZ-CG 3.75Å; F138-G162 WeakPolarHBondContact CD1-O 3.38Å; F138-H163 CarbonylContact O-C 3.57Å; F138-H163 WeakPolarHBondContact O-CA 3.39Å; F138-I164 PolarHBondContact O-N 2.88Å
139	C	84.5	Confident	69.9	Low	9 Å²	9	78.8 Å²	78.8	6%	0.061	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	-7.5	-169.5	76.5	0	0	0	0	116.6	C136 K141 Y143 F150 I164	C136-C139 PolarHBondContact O-N 3.34Å; C136-C139 VanDerWaalsContact O-N 3.15Å; C136-C139 VanDerWaalsContact SG-SG 3.69Å; C139-K141 VanDerWaalsContact C-N 3.28Å; C139-K141 PolarHBondContact O-N 2.87Å; C139-Y143 PolarHBondContact SG-OH 3.22Å; C139-F150 HydrophobicContact CB-CB 4.27Å; C139-F150 HydrophobicContact CB-CD2 3.49Å; C139-F150 VanDerWaalsContact CB-CD2 3.49Å; C139-F150 HydrophobicContact CB-CE2 4.2Å; C139-F150 HydrophobicContact CB-CG 4.2Å; C139-I164 HydrophobicContact CB-CD1 4.19Å; C139-I164 WeakPolarHBondContact O-CD1 3.32Å
140	G	77.1	Confident	72.3	Confident	19 Å²	19	75.7 Å²	75.7	20%	0.196	39%	0.388	C	S	.	.	S	Bend	trans	80.9	1.7	174.4	0	0	0	0	0	115.1	K135 C136	K135-G140 WeakPolarHBondContact CE-O 3.35Å; C136-G140 WeakPolarHBondContact O-CA 3.13Å; C136-G140 PolarHBondContact O-N 3.3Å
141	K	79.3	Confident	74.6	Confident	88 Å²	88	72.2 Å²	72.2	38%	0.383	37%	0.367	S	S	.	.	S	Bend	trans	-89.5	162.6	175.8	-59.7	-178	175.7	-172.1	0	111.2	C136 C139 Y143	C136-K141 WeakPolarHBondContact CB-O 3.41Å; C136-K141 PolarHBondContact N-O 2.94Å; C139-K141 VanDerWaalsContact C-N 3.28Å; C139-K141 PolarHBondContact O-N 2.87Å; K141-Y143 HydrophobicContact CB-CD1 3.89Å; K141-Y143 HydrophobicContact CB-CE1 3.58Å; K141-Y143 HydrophobicContact CD-CE1 4.02Å; K141-Y143 HydrophobicContact CG-CE1 4.4Å
142	F	76.7	Confident	76.2	Confident	48 Å²	48	70.6 Å²	70.6	21%	0.211	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-97.3	104.3	-179.6	-65.7	-86.9	0	0	0	110.2	L54 Y78 I133 K135	L54-F142 HydrophobicContact CD2-CB 3.62Å; L54-F142 WeakPolarHBondContact CD2-O 3.27Å; Y78-F142 HydrophobicContact CE1-CE1 4.22Å; I133-F142 HydrophobicContact CG2-CB 4.06Å; K135-F142 HydrophobicContact CB-CD1 4.19Å; K135-F142 HydrophobicContact CB-CE1 3.81Å; K135-F142 HydrophobicContact CB-CZ 4.32Å; K135-F142 HydrophobicContact CD-CZ 4.3Å; K135-F142 HydrophobicContact CG-CE1 4.26Å; K135-F142 HydrophobicContact CG-CZ 4.3Å
143	Y	78.1	Confident	77.8	Confident	32 Å²	32	65 Å²	65	13%	0.125	34%	0.341	C	S	.	.	S	Bend	trans	-174.2	162.1	171.2	56.2	-106.1	0	0	0	108.4	C136 C139 K141 C145 S147 C148	C136-Y143 HydrophobicContact CB-CE2 4.41Å; C139-Y143 PolarHBondContact SG-OH 3.22Å; K141-Y143 HydrophobicContact CB-CD1 3.89Å; K141-Y143 HydrophobicContact CB-CE1 3.58Å; K141-Y143 HydrophobicContact CD-CE1 4.02Å; K141-Y143 HydrophobicContact CG-CE1 4.4Å; Y143-C145 PolarHBondContact O-N 3.49Å; Y143-S147 VanDerWaalsContact CD2-OG 3.26Å; Y143-S147 WeakPolarHBondContact CD2-OG 3.39Å; Y143-C148 HydrophobicContact CE2-CB 3.72Å; Y143-C148 PolarHBondContact OH-SG 3.18Å
144	P	74.3	Confident	79.1	Confident	53 Å²	53	69.1 Å²	69.1	34%	0.344	36%	0.359	S	S	.	.			trans	-54.8	125.3	-179.2	-27.8	36.1	0	0	0	112.9	N146 S147	P144-N146 PolarHBondContact O-N 3.43Å; P144-S147 PolarHBondContact O-N 3.1Å; P144-S147 PolarHBondContact O-OG 2.88Å
145	C	77.3	Confident	80.3	Confident	28 Å²	28	66.7 Å²	66.7	19%	0.189	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-50.5	-26.3	-175.8	-78.6	0	0	0	0	114.7	F138 Y143 S147 C148	F138-C145 HydrophobicContact CD2-CB 4.28Å; F138-C145 HydrophobicContact CE2-CB 3.95Å; Y143-C145 PolarHBondContact O-N 3.49Å; C145-S147 PolarHBondContact O-N 3.34Å; C145-C148 WeakPolarHBondContact O-CB 3.22Å; C145-C148 PolarHBondContact O-N 2.9Å
146	N	76.1	Confident	80.6	Confident	130 Å²	130	70.3 Å²	70.3	70%	0.695	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-66.8	-27.2	178.9	-66	-23.4	0	0	0	114.4	P144 C148	P144-N146 PolarHBondContact O-N 3.43Å; N146-C148 VanDerWaalsContact C-N 3.34Å
147	S	77.4	Confident	80.7	Confident	79 Å²	79	75.8 Å²	75.8	55%	0.552	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-89.6	5.1	178.2	61.8	0	0	0	0	113.7	Y143 P144 C145 I149	Y143-S147 VanDerWaalsContact CD2-OG 3.26Å; Y143-S147 WeakPolarHBondContact CD2-OG 3.39Å; P144-S147 PolarHBondContact O-N 3.1Å; P144-S147 PolarHBondContact O-OG 2.88Å; C145-S147 PolarHBondContact O-N 3.34Å; S147-I149 PolarHBondContact O-N 3.23Å
148	C	83.2	Confident	81.1	Confident	9 Å²	9	71.1 Å²	71.1	6%	0.061	36%	0.36	C	S	.	.			trans	-75.9	119.1	-175.4	-166.7	0	0	0	0	113.2	F138 Y143 C145 N146 F150 R151	F138-C148 HydrophobicContact CB-CB 4.22Å; F138-C148 VanDerWaalsContact CB-SG 3.56Å; F138-C148 HydrophobicContact CD2-CB 3.97Å; F138-C148 HydrophobicContact CG-CB 4.45Å; Y143-C148 HydrophobicContact CE2-CB 3.72Å; Y143-C148 PolarHBondContact OH-SG 3.18Å; C145-C148 WeakPolarHBondContact O-CB 3.22Å; C145-C148 PolarHBondContact O-N 2.9Å; N146-C148 VanDerWaalsContact C-N 3.34Å; C148-F150 PolarHBondContact O-N 3.01Å; C148-F150 VanDerWaalsContact O-N 3.15Å; C148-F150 PolarHBondContact SG-N 3.42Å; C148-F150 VanDerWaalsContact SG-N 3.36Å; C148-R151 HydrophobicContact CB-CB 4.24Å; C148-R151 WeakPolarHBondContact O-CB 3.35Å; C148-R151 PolarHBondContact O-N 3.05Å
149	I	81.4	Confident	81	Confident	138 Å²	138	71.2 Å²	71.2	71%	0.708	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-58.5	-27	171	66.9	175.6	0	0	0	112.9	S147 R151	S147-I149 PolarHBondContact O-N 3.23Å; I149-R151 VanDerWaalsContact C-N 3.33Å
150	F	80.6	Confident	80.9	Confident	64 Å²	64	75.2 Å²	75.2	28%	0.281	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-87.1	0.8	179.2	-56.7	-75.9	0	0	0	113.6	F138 C139 C148 N152 S153 I164	F138-F150 HydrophobicContact CB-CB 4.29Å; C139-F150 HydrophobicContact CB-CB 4.27Å; C139-F150 HydrophobicContact CB-CD2 3.49Å; C139-F150 VanDerWaalsContact CB-CD2 3.49Å; C139-F150 HydrophobicContact CB-CE2 4.2Å; C139-F150 HydrophobicContact CB-CG 4.2Å; C148-F150 PolarHBondContact O-N 3.01Å; C148-F150 VanDerWaalsContact O-N 3.15Å; C148-F150 PolarHBondContact SG-N 3.42Å; C148-F150 VanDerWaalsContact SG-N 3.36Å; F150-N152 PolarHBondContact O-N 3.2Å; F150-S153 VanDerWaalsContact CA-OG 3.23Å; F150-S153 WeakPolarHBondContact CA-OG 3.18Å; F150-S153 WeakPolarHBondContact CB-OG 3.41Å; F150-S153 PolarHBondContact O-N 3.42Å; F150-S153 PolarHBondContact O-OG 2.72Å; F150-I164 HydrophobicContact CB-CG2 3.75Å; F150-I164 HydrophobicContact CD1-CG2 3.27Å; F150-I164 HydrophobicContact CD2-CG2 3.95Å; F150-I164 HydrophobicContact CE1-CG2 3.75Å; F150-I164 HydrophobicContact CE2-CG2 4.35Å; F150-I164 HydrophobicContact CG-CG2 3.38Å; F150-I164 HydrophobicContact CZ-CG2 4.25Å
151	R	81.3	Confident	81.3	Confident	115 Å²	115	78.4 Å²	78.4	43%	0.434	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-55.5	-38.1	176.7	-177.6	174.7	179.8	-82.9	7.8	112.6	F138 C148 I149	F138-R151 HydrophobicContact CD1-CB 4.45Å; F138-R151 HydrophobicContact CD2-CB 4.07Å; F138-R151 HydrophobicContact CD2-CG 4.24Å; F138-R151 HydrophobicContact CE1-CG 4.15Å; F138-R151 HydrophobicContact CE2-CB 4.12Å; F138-R151 HydrophobicContact CE2-CG 3.76Å; F138-R151 HydrophobicContact CG-CB 4.26Å; F138-R151 HydrophobicContact CZ-CB 4.37Å; F138-R151 HydrophobicContact CZ-CG 3.75Å; C148-R151 HydrophobicContact CB-CB 4.24Å; C148-R151 WeakPolarHBondContact O-CB 3.35Å; C148-R151 PolarHBondContact O-N 3.05Å; I149-R151 VanDerWaalsContact C-N 3.33Å
152	N	80.6	Confident	81.3	Confident	122 Å²	122	75 Å²	75	65%	0.652	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-111.9	7.2	-178.1	-57.4	-12.8	0	0	0	112.7	F150	F150-N152 PolarHBondContact O-N 3.2Å
153	S	81.4	Confident	81.8	Confident	33 Å²	33	74.2 Å²	74.2	23%	0.231	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-82.3	139.3	179.7	64.1	0	0	0	0	111.5	F150 T161 G162	F150-S153 VanDerWaalsContact CA-OG 3.23Å; F150-S153 WeakPolarHBondContact CA-OG 3.18Å; F150-S153 WeakPolarHBondContact CB-OG 3.41Å; F150-S153 PolarHBondContact O-N 3.42Å; F150-S153 PolarHBondContact O-OG 2.72Å; S153-T161 WeakPolarHBondContact O-CA 3.24Å; S153-G162 PolarHBondContact O-N 3.38Å
154	E	85.8	Confident	82.1	Confident	136 Å²	136	74.2 Å²	74.2	64%	0.636	40%	0.399	S	S	*	.	B	Isolated β-bridge	trans	-70.3	136	168.4	-68.5	178	-178.8	0	0	111.1	F156 T161	E154-F156 PolarHBondContact O-N 3.08Å; E154-T161 HydrophobicContact CG-CG2 3.66Å
155	C	87.4	Confident	82.6	Confident	2 Å²	2	77 Å²	77	1%	0.014	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-73.3	117.3	177.1	178.7	0	0	0	0	111.2	K157 C158 G159 I160 H163 C168	C155-K157 PolarHBondContact O-N 2.94Å; C155-C158 PolarHBondContact O-N 3.1Å; C155-C158 VanDerWaalsContact O-N 3.13Å; C155-G159 WeakPolarHBondContact O-CA 3.45Å; C155-G159 PolarHBondContact O-N 2.88Å; C155-I160 VanDerWaalsContact CB-O 3.28Å; C155-I160 WeakPolarHBondContact CB-O 3.39Å; C155-I160 PolarHBondContact N-O 2.88Å; C155-H163 WeakPolarHBondContact CA-O 3.33Å; C155-H163 VanDerWaalsContact CB-O 3.24Å; C155-H163 WeakPolarHBondContact CB-O 3.22Å; C155-H163 VanDerWaalsContact SG-CD2 3.57Å; C155-H163 PolarHBondContact SG-NE2 3.35Å; C155-C168 VanDerWaalsContact SG-CB 3.56Å
156	F	83.5	Confident	82.6	Confident	189 Å²	189	80.2 Å²	80.2	83%	0.829	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-15.1	177.1	-66.3	-75.4	0	0	0	115.9	E154 Q165	E154-F156 PolarHBondContact O-N 3.08Å; F156-Q165 HydrophobicContact CB-CB 4.48Å
157	K	83.3	Confident	82.9	Confident	116 Å²	116	76.6 Å²	76.6	50%	0.504	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-25.3	179.3	175.1	177.1	166.9	-161.7	0	114.6	C155 Q165 C168	C155-K157 PolarHBondContact O-N 2.94Å; K157-Q165 HydrophobicContact CB-CB 4.45Å; K157-Q165 HydrophobicContact CB-CG 3.97Å; K157-C168 HydrophobicContact CB-CB 4.19Å; K157-C168 HydrophobicContact CD-CB 3.93Å; K157-C168 HydrophobicContact CG-CB 4.38Å; K157-C168 PolarHBondContact NZ-O 3.15Å
158	C	88.4	Confident	83.2	Confident	39 Å²	39	73 Å²	73	26%	0.264	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-1.8	-178	70.2	0	0	0	0	115.6	C155 I160 H163 C168 T170	C155-C158 PolarHBondContact O-N 3.1Å; C155-C158 VanDerWaalsContact O-N 3.13Å; C158-I160 PolarHBondContact O-N 2.97Å; C158-I160 VanDerWaalsContact O-N 3.11Å; C158-H163 PolarHBondContact SG-CE1 2.84Å; C158-H163 PolarHBondContact SG-NE2 3.1Å; C158-C168 VanDerWaalsContact SG-SG 3.68Å; C158-T170 HydrophobicContact CB-CG2 4.37Å
159	G	83.4	Confident	82.5	Confident	47 Å²	47	79.9 Å²	79.9	49%	0.485	42%	0.421	S	S	.	.			trans	73.2	-11.3	-179.5	0	0	0	0	0	115.6	C155	C155-G159 WeakPolarHBondContact O-CA 3.45Å; C155-G159 PolarHBondContact O-N 2.88Å
160	I	83	Confident	81.2	Confident	93 Å²	93	75.9 Å²	75.9	48%	0.477	40%	0.403	S	S	.	.			trans	-75.8	135.7	-179	-56.1	172.6	0	0	0	109.7	C155 C158	C155-I160 VanDerWaalsContact CB-O 3.28Å; C155-I160 WeakPolarHBondContact CB-O 3.39Å; C155-I160 PolarHBondContact N-O 2.88Å; C158-I160 PolarHBondContact O-N 2.97Å; C158-I160 VanDerWaalsContact O-N 3.11Å
161	T	84.5	Confident	79.1	Confident	85 Å²	85	79.8 Å²	79.8	52%	0.521	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-68.5	150.9	175.1	46.6	0	0	0	0	112.2	S153 E154	S153-T161 WeakPolarHBondContact O-CA 3.24Å; E154-T161 HydrophobicContact CG-CG2 3.66Å
162	G	80.4	Confident	77	Confident	18 Å²	18	79.5 Å²	79.5	19%	0.186	44%	0.435	C	S	.	.	S	Bend	trans	87.4	28.2	170.8	0	0	0	0	0	115.4	F138 S153	F138-G162 WeakPolarHBondContact CD1-O 3.38Å; S153-G162 PolarHBondContact O-N 3.38Å
163	H	85.7	Confident	74.7	Confident	31 Å²	31	80.3 Å²	80.3	14%	0.144	44%	0.435	C	S	.	.			trans	-161.7	158.9	154.6	60.5	-71.8	0	0	0	111.8	F138 C155 C158 L167 C168	F138-H163 CarbonylContact O-C 3.57Å; F138-H163 WeakPolarHBondContact O-CA 3.39Å; C155-H163 WeakPolarHBondContact CA-O 3.33Å; C155-H163 VanDerWaalsContact CB-O 3.24Å; C155-H163 WeakPolarHBondContact CB-O 3.22Å; C155-H163 VanDerWaalsContact SG-CD2 3.57Å; C155-H163 PolarHBondContact SG-NE2 3.35Å; C158-H163 PolarHBondContact SG-CE1 2.84Å; C158-H163 PolarHBondContact SG-NE2 3.1Å; H163-L167 HydrophobicContact CB-CB 4.44Å; H163-C168 PolarHBondContact NE2-SG 3.22Å
164	I	85.1	Confident	72.4	Confident	32 Å²	32	87 Å²	87	16%	0.164	46%	0.459	C	S	.	.			trans	-86.9	159.5	171	63.3	177.3	0	0	0	112.6	F138 C139 F150 S166 L167 C168	F138-I164 PolarHBondContact O-N 2.88Å; C139-I164 HydrophobicContact CB-CD1 4.19Å; C139-I164 WeakPolarHBondContact O-CD1 3.32Å; F150-I164 HydrophobicContact CB-CG2 3.75Å; F150-I164 HydrophobicContact CD1-CG2 3.27Å; F150-I164 HydrophobicContact CD2-CG2 3.95Å; F150-I164 HydrophobicContact CE1-CG2 3.75Å; F150-I164 HydrophobicContact CE2-CG2 4.35Å; F150-I164 HydrophobicContact CG-CG2 3.38Å; F150-I164 HydrophobicContact CZ-CG2 4.25Å; I164-S166 WeakPolarHBondContact CD1-OG 3.35Å; I164-S166 WeakPolarHBondContact CG1-OG 3.33Å; I164-S166 PolarHBondContact O-N 2.91Å; I164-S166 VanDerWaalsContact O-N 3.11Å; I164-L167 HydrophobicContact CG1-CB 4.44Å; I164-L167 HydrophobicContact CG1-CG 4.15Å; I164-L167 PolarHBondContact O-N 2.79Å; I164-C168 PolarHBondContact O-N 3.36Å
165	Q	84.1	Confident	69.9	Low	111 Å²	111	84.8 Å²	84.8	52%	0.519	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-52.3	-33.6	179.5	174.7	169.1	15.8	0	0	114.6	F156 K157 L167 C168	F156-Q165 HydrophobicContact CB-CB 4.48Å; K157-Q165 HydrophobicContact CB-CB 4.45Å; K157-Q165 HydrophobicContact CB-CG 3.97Å; Q165-L167 VanDerWaalsContact C-N 3.33Å; Q165-C168 VanDerWaalsContact O-CB 3.23Å; Q165-C168 WeakPolarHBondContact O-CB 3.39Å; Q165-C168 PolarHBondContact O-N 2.77Å
166	S	79.1	Confident	67.4	Low	96 Å²	96	92.1 Å²	92.1	67%	0.671	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-75.9	-17	178.5	56.6	0	0	0	0	114.4	I164	I164-S166 WeakPolarHBondContact CD1-OG 3.35Å; I164-S166 WeakPolarHBondContact CG1-OG 3.33Å; I164-S166 PolarHBondContact O-N 2.91Å; I164-S166 VanDerWaalsContact O-N 3.11Å
167	L	81.3	Confident	64.9	Low	54 Å²	54	85.9 Å²	85.9	28%	0.283	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-97.9	-1.2	169.6	-65.8	-171	0	0	0	112.9	L137 H163 I164 Q165 N169	L137-L167 WeakPolarHBondContact O-CD1 3.44Å; H163-L167 HydrophobicContact CB-CB 4.44Å; I164-L167 HydrophobicContact CG1-CB 4.44Å; I164-L167 HydrophobicContact CG1-CG 4.15Å; I164-L167 PolarHBondContact O-N 2.79Å; Q165-L167 VanDerWaalsContact C-N 3.33Å; L167-N169 VanDerWaalsContact C-N 3.3Å; L167-N169 PolarHBondContact O-N 3.06Å
168	C	83.8	Confident	62.5	Low	4 Å²	4	88.1 Å²	88.1	3%	0.027	49%	0.494	C	S	.	.			trans	-76	81	-174.9	-171	0	0	0	0	111.2	C155 K157 C158 H163 I164 Q165 T170	C155-C168 VanDerWaalsContact SG-CB 3.56Å; K157-C168 HydrophobicContact CB-CB 4.19Å; K157-C168 HydrophobicContact CD-CB 3.93Å; K157-C168 HydrophobicContact CG-CB 4.38Å; K157-C168 PolarHBondContact NZ-O 3.15Å; C158-C168 VanDerWaalsContact SG-SG 3.68Å; H163-C168 PolarHBondContact NE2-SG 3.22Å; I164-C168 PolarHBondContact O-N 3.36Å; Q165-C168 VanDerWaalsContact O-CB 3.23Å; Q165-C168 WeakPolarHBondContact O-CB 3.39Å; Q165-C168 PolarHBondContact O-N 2.77Å; C168-T170 PolarHBondContact O-N 3.02Å; C168-T170 VanDerWaalsContact O-N 3.07Å; C168-T170 PolarHBondContact SG-OG1 3.28Å
169	N	68.8	Low	60	Low	152 Å²	152	90.6 Å²	90.6	81%	0.813	52%	0.517	S	S	*	.			trans	-74.5	17.4	177.2	-71.2	-14.6	0	0	0	113.6	L167 M171	L167-N169 VanDerWaalsContact C-N 3.3Å; L167-N169 PolarHBondContact O-N 3.06Å; N169-M171 PolarHBondContact O-N 2.98Å
170	T	53.2	Low	57.6	Low	54 Å²	54	97.4 Å²	97.4	33%	0.331	53%	0.533	S	S	.	.			trans	-62.3	95.6	-173.5	-49.6	0	0	0	0	112	C158 C168 V172	C158-T170 HydrophobicContact CB-CG2 4.37Å; C168-T170 PolarHBondContact O-N 3.02Å; C168-T170 VanDerWaalsContact O-N 3.07Å; C168-T170 PolarHBondContact SG-OG1 3.28Å; T170-V172 HydrophobicContact CG2-CG2 4.17Å; T170-V172 PolarHBondContact O-N 3.04Å
171	M	37.9	Very low	55.2	Low	147 Å²	147	101 Å²	101	72%	0.724	55%	0.55	S	S	*	*			trans	-66.4	109.1	141.2	-169.7	169.6	94.3	0	0	106.1	N169 H173 F174	N169-M171 PolarHBondContact O-N 2.98Å; M171-H173 PolarHBondContact O-N 2.81Å; M171-F174 HydrophobicContact CE-CE2 4.07Å
172	V	35.7	Very low	52.7	Low	109 Å²	109	104.4 Å²	104.4	66%	0.661	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	108.3	179.9	177.3	0	0	0	0	108.2	T170	T170-V172 HydrophobicContact CG2-CG2 4.17Å; T170-V172 PolarHBondContact O-N 3.04Å
173	H	32.9	Very low	50.3	Low	139 Å²	139	110.5 Å²	110.5	64%	0.644	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.9	-9.9	150.3	-95.6	-58.1	0	0	0	116.4	M171 A175	M171-H173 PolarHBondContact O-N 2.81Å; H173-A175 VanDerWaalsContact C-N 3.26Å; H173-A175 PolarHBondContact O-N 3.3Å
174	F	33.1	Very low	47.7	Very low	172 Å²	172	113.9 Å²	113.9	75%	0.754	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	34.9	-174.5	-74.8	-76.1	0	0	0	116.4	M171	M171-F174 HydrophobicContact CE-CE2 4.07Å
175	A	33.1	Very low	45.2	Very low	90 Å²	90	119.5 Å²	119.5	74%	0.744	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	-3.7	176.6	0	0	0	0	0	115	H173	H173-A175 VanDerWaalsContact C-N 3.26Å; H173-A175 PolarHBondContact O-N 3.3Å
176	E	34.1	Very low	42.7	Very low	156 Å²	156	120.8 Å²	120.8	73%	0.729	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	-8.2	177.1	-74.3	-170.9	137.3	0	0	114.3	N178 A179	E176-N178 PolarHBondContact O-N 3.28Å; E176-A179 PolarHBondContact O-N 2.9Å
177	T	32.3	Very low	40.5	Very low	58 Å²	58	124.1 Å²	124.1	36%	0.356	67%	0.671	S	S	.	*	G	3₁₀ helix	trans	-77.8	-18.7	-175.3	40.4	0	0	0	0	114.5	A179	T177-A179 PolarHBondContact O-N 3.35Å
178	N	33.3	Very low	38.2	Very low	164 Å²	164	128.8 Å²	128.8	88%	0.877	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-80.9	3.8	173	-68.5	-11.3	0	0	0	113.7	E176	E176-N178 PolarHBondContact O-N 3.28Å
179	A	34.8	Very low	35.8	Very low	91 Å²	91	132.8 Å²	132.8	75%	0.752	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-110	9.4	173.6	0	0	0	0	0	113.3	E176 T177	E176-A179 PolarHBondContact O-N 2.9Å; T177-A179 PolarHBondContact O-N 3.35Å
180	K	33.7	Very low	33.9	Very low	189 Å²	189	133.2 Å²	133.2	82%	0.822	73%	0.725	S	S	*	*	S	Bend	trans	-141.4	7.3	-175.9	-114.8	171.1	-175	168.2	0	116
181	M	32.9	Very low	33	Very low	170 Å²	170	136.7 Å²	136.7	84%	0.837	75%	0.751	S	S	*	*	S	Bend	trans	-110.2	47.2	174.5	-73.9	-170	164.8	0	0	112.3
182	D	31	Very low	32.7	Very low	155 Å²	155	140.8 Å²	140.8	83%	0.829	76%	0.759	S	S	*	*			trans	-148	45.1	168.3	-157.4	15.9	0	0	0	113.1
183	V	30.4	Very low	32.6	Very low	146 Å²	146	141.2 Å²	141.2	89%	0.885	77%	0.767	S	S	*	*			trans	-141.6	70.1	167.9	-168.9	0	0	0	0	110.3
184	S	31.6	Very low	32.6	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	77%	0.768	S	S	*	*			trans	-154.9	97.6	158.3	65.6	0	0	0	0	111.4
185	N	33	Very low	32.7	Very low	150 Å²	150	138 Å²	138	80%	0.802	78%	0.776	S	S	*	*	S	Bend	trans	-175.9	106.9	131.9	-85.9	-34.7	0	0	0	109.5
186	D	31.2	Very low	32.5	Very low	139 Å²	139	139.7 Å²	139.7	74%	0.743	78%	0.777	S	S	*	*			trans	37.2	103.7	145.7	-49.8	-20.3	0	0	0	119.2
187	H	31.5	Very low	32.6	Very low	165 Å²	165	137.4 Å²	137.4	76%	0.764	78%	0.778	S	S	*	*				179.1	139.6	102	-114	-94.5	0	0	0	113.1
188	L	34.3	Very low	32.5	Very low	152 Å²	152	142.7 Å²	142.7	80%	0.796	80%	0.799	S	S	*	*			trans	67.2	145.5	162.5	-49.1	157.6	0	0	0	115.7
189	S	33	Very low	32.7	Very low	89 Å²	89	142.9 Å²	142.9	62%	0.622	80%	0.8	S	S	*	*			cis	-164.9	144.2	-20.3	-94.1	0	0	0	0	107
190	L	29.7	Very low	32.5	Very low	161 Å²	161	144 Å²	144	84%	0.843	80%	0.802	S	S	*	*			trans	32.6	117.5	149.2	-58.2	160.3	0	0	0	117.2
191	S	34.1	Very low	32.7	Very low	126 Å²	126	140.6 Å²	140.6	88%	0.881	80%	0.802	S	S	*	*				-173.6	157.7	79.4	-70.5	0	0	0	0	113.6
192	R	30.2	Very low	32.7	Very low	233 Å²	233	140.6 Å²	140.6	88%	0.879	80%	0.8	S	S	*	*			trans	-105.2	135.8	-172.5	172.6	-170	74.7	-176.4	3.9	112.1
193	S	34	Very low	32.9	Very low	118 Å²	118	140.2 Å²	140.2	83%	0.825	80%	0.797	S	S	*	*			trans	146.4	145.7	149.9	-68	0	0	0	0	110
194	G	33.6	Very low	33.2	Very low	66 Å²	66	138.7 Å²	138.7	68%	0.68	78%	0.784	S	S	*	*			cis	152.1	151.6	-4.9	0	0	0	0	0	112.3
195	I	35.2	Very low	33.2	Very low	178 Å²	178	141.4 Å²	141.4	91%	0.913	79%	0.786	S	S	*	*			trans	88.3	139.2	162.3	-49.7	168.9	0	0	0	117.8
196	T	29.3	Very low	33	Very low	125 Å²	125	139.7 Å²	139.7	77%	0.767	78%	0.78	S	S	*	*			trans	-97.7	157.6	-172.1	49.1	0	0	0	0	114.3
197	S	35.7	Very low	33.1	Very low	108 Å²	108	141.4 Å²	141.4	76%	0.755	78%	0.784	S	S	*	*				177.4	132.7	123	58	0	0	0	0	115.7
198	H	31	Very low	32.9	Very low	169 Å²	169	140.6 Å²	140.6	78%	0.782	79%	0.785	S	S	*	*			trans	1.6	137.8	149.7	-56.1	-92.1	0	0	0	121.6
199	N	35.9	Very low	32.6	Very low	168 Å²	168	142.7 Å²	142.7	90%	0.898	79%	0.791	S	S	*	*				-178.6	157.1	103.7	-87.8	-28	0	0	0	112.2
200	S	32.2	Very low	32.4	Very low	116 Å²	116	144.8 Å²	144.8	81%	0.811	80%	0.804	S	S	*	*			trans	-132.4	145	-169.5	55.9	0	0	0	0	113.6
201	S	36.9	Very low	32.4	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	79%	0.792	S	S	*	*			trans	-176.8	148.4	152.3	54.4	0	0	0	0	108.6
202	E	34	Very low	32	Very low	171 Å²	171	141.3 Å²	141.3	80%	0.799	79%	0.792	S	S	*	*			cis	176.2	155.7	-20.1	-161.8	170.7	-151.6	0	0	104.3
203	L	34.1	Very low	32.1	Very low	147 Å²	147	138.2 Å²	138.2	77%	0.77	78%	0.784	S	S	*	*			trans	69.4	156.9	179.9	-44.9	-179.3	0	0	0	114.8
204	N	36	Very low	31.7	Very low	114 Å²	114	140.3 Å²	140.3	61%	0.61	79%	0.785	S	S	*	*			cis	-146.4	166.9	-7.1	-136.7	24.2	0	0	0	114.1
205	E	32.6	Very low	31.4	Very low	159 Å²	159	145.7 Å²	145.7	74%	0.743	79%	0.79	S	S	*	*			trans	11.5	148.9	151.9	-62.8	173.7	151.7	0	0	123.5
206	T	29.4	Very low	31	Very low	113 Å²	113	141.5 Å²	141.5	69%	0.693	78%	0.776	S	S	*	*			cis	-169.6	115.8	-20.5	-77.8	0	0	0	0	107.3
207	Q	31.6	Very low	30.8	Very low	175 Å²	175	144.3 Å²	144.3	82%	0.818	78%	0.781	S	S	*	*			trans	-172.2	110.2	147.7	-109.2	167.8	17.9	0	0	113.6
208	N	29.1	Very low	30.5	Very low	149 Å²	149	146.4 Å²	146.4	80%	0.797	78%	0.779	S	S	*	*			trans	53.9	67.6	140.9	-54.6	-14.3	0	0	0	119.9
209	H	27.1	Very low	30.1	Very low	196 Å²	196	144.7 Å²	144.7	91%	0.907	78%	0.78	S	S	*	*			trans	-130	110.8	151.1	-107.8	-85.4	0	0	0	109.9
210	C	28.6	Very low	29.8	Very low	132 Å²	132	145.2 Å²	145.2	89%	0.892	77%	0.771	S	S	*	*			trans	-106.5	94.5	-176	-144.1	0	0	0	0	113
211	A	30.1	Very low	29.3	Very low	73 Å²	73	149 Å²	149	60%	0.603	78%	0.776	S	S	*	*			trans	50.5	97.7	142.1	0	0	0	0	0	119.7	K213	A211-K213 PolarHBondContact O-N 2.91Å
212	T	26.2	Very low	29	Very low	142 Å²	142	151.1 Å²	151.1	87%	0.871	78%	0.776	S	S	*	*			trans	-56.1	104.7	148.2	-53.7	0	0	0	0	110
213	K	31.4	Very low	28.6	Very low	167 Å²	167	146.8 Å²	146.8	73%	0.726	77%	0.765	S	S	*	*			trans	-94.1	111.3	163.7	-79.1	-173.3	177.3	178.5	0	109.6	A211 F215	A211-K213 PolarHBondContact O-N 2.91Å; K213-F215 HydrophobicContact CB-CD2 4.49Å; K213-F215 PolarHBondContact O-N 3.19Å
214	I	25	Very low	28.3	Very low	162 Å²	162	147.4 Å²	147.4	83%	0.831	76%	0.763	S	S	*	*			trans	-59.8	115.4	161.5	-63.1	168.9	0	0	0	106.8
215	F	27.8	Very low	28	Very low	180 Å²	180	148.5 Å²	148.5	79%	0.789	77%	0.774	S	S	*	*			trans	-110.8	128.7	166.8	-114.2	-84.1	0	0	0	110	K213	K213-F215 HydrophobicContact CB-CD2 4.49Å; K213-F215 PolarHBondContact O-N 3.19Å
216	S	27.7	Very low	27.7	Very low	90 Å²	90	148 Å²	148	63%	0.629	78%	0.775	S	S	*	*			trans	-66.5	128.2	-177.1	49.9	0	0	0	0	112.4	Q218	S216-Q218 PolarHBondContact O-N 3.36Å
217	Q	24.6	Very low	27.7	Very low	184 Å²	184	147.6 Å²	147.6	86%	0.86	77%	0.772	S	S	*	*			trans	29.9	89.8	135.7	-165.1	174	25.7	0	0	116.3
218	Q	28.3	Very low	27.6	Very low	152 Å²	152	144.6 Å²	144.6	71%	0.71	77%	0.768	S	S	*	*			trans	-123.7	115.7	155.9	-76.2	-171.9	-17.9	0	0	110.3	S216 Y220	S216-Q218 PolarHBondContact O-N 3.36Å; Q218-Y220 HydrophobicContact CB-CD2 4.21Å; Q218-Y220 HydrophobicContact CB-CE2 3.78Å; Q218-Y220 PolarHBondContact O-N 2.85Å; Q218-Y220 PolarHBondContact OE1-OH 2.82Å
219	T	24.3	Very low	27.5	Very low	132 Å²	132	144.3 Å²	144.3	81%	0.81	77%	0.766	S	S	*	*			trans	-69.7	116.7	171	43.1	0	0	0	0	110.3
220	Y	27.9	Very low	27.6	Very low	180 Å²	180	143.3 Å²	143.3	71%	0.706	76%	0.764	S	S	*	*			trans	-119.5	103	165.6	-75.5	-77.8	0	0	0	110	Q218	Q218-Y220 HydrophobicContact CB-CD2 4.21Å; Q218-Y220 HydrophobicContact CB-CE2 3.78Å; Q218-Y220 PolarHBondContact O-N 2.85Å; Q218-Y220 PolarHBondContact OE1-OH 2.82Å
221	Q	23.6	Very low	27.7	Very low	196 Å²	196	142.6 Å²	142.6	92%	0.916	76%	0.755	S	S	*	*			trans	-77.1	111.5	159.5	-70	175.5	-36.4	0	0	108
222	I	29.9	Very low	27.6	Very low	159 Å²	159	143.7 Å²	143.7	82%	0.815	76%	0.758	S	S	*	*			trans	-132.7	136.4	155.7	-61.1	-175.3	0	0	0	107.8
223	S	26.1	Very low	27.8	Very low	81 Å²	81	147.8 Å²	147.8	57%	0.566	76%	0.757	S	S	*	*			trans	-105.9	173.6	-160.8	40.7	0	0	0	0	113.3
224	H	27.2	Very low	27.7	Very low	159 Å²	159	146.4 Å²	146.4	74%	0.736	76%	0.758	S	S	*	*			trans	79.2	69	165.8	-38	-65.8	0	0	0	117.4
225	V	29.4	Very low	27.9	Very low	137 Å²	137	145.7 Å²	145.7	83%	0.83	76%	0.755	S	S	*	*			trans	-90.3	108.7	141.1	177.8	0	0	0	0	106.8	V227	V225-V227 PolarHBondContact O-N 3.22Å
226	I	27.1	Very low	28	Very low	148 Å²	148	141.7 Å²	141.7	76%	0.759	75%	0.75	S	S	*	*			trans	-80.2	112	172.9	-63.4	175.1	0	0	0	107.2
227	V	28.9	Very low	28.3	Very low	106 Å²	106	145.8 Å²	145.8	64%	0.642	76%	0.759	S	S	*	*			trans	-83.2	123.2	163.9	178	0	0	0	0	106.8	V225 D229	V225-V227 PolarHBondContact O-N 3.22Å; V227-D229 PolarHBondContact O-N 3.49Å
228	P	29.5	Very low	28.5	Very low	111 Å²	111	143 Å²	143	72%	0.721	75%	0.754	S	S	*	*			trans	-67.7	113.1	166.2	-15.8	30.8	0	0	0	108.4	M230	P228-M230 PolarHBondContact O-N 3.23Å
229	D	26.8	Very low	28.7	Very low	143 Å²	143	141 Å²	141	77%	0.765	76%	0.758	S	S	*	*			trans	-63.2	116.8	175.3	-93.9	-38.1	0	0	0	110	V227 V231	V227-D229 PolarHBondContact O-N 3.49Å; D229-V231 VanDerWaalsContact C-N 3.3Å; D229-V231 HydrophobicContact CB-CG2 4.26Å; D229-V231 PolarHBondContact O-N 2.87Å
230	M	30	Very low	28.9	Very low	175 Å²	175	142 Å²	142	86%	0.862	76%	0.758	S	S	*	*			trans	-69.1	91.5	162.7	-72.6	-172.9	95.4	0	0	108.8	P228 C232	P228-M230 PolarHBondContact O-N 3.23Å; M230-C232 VanDerWaalsContact C-N 3.25Å; M230-C232 PolarHBondContact O-N 3.23Å
231	V	29.6	Very low	29.1	Very low	118 Å²	118	137.2 Å²	137.2	72%	0.715	76%	0.763	S	S	*	*			trans	-72.3	80.9	174.1	-175.8	0	0	0	0	109.9	D229 R233	D229-V231 VanDerWaalsContact C-N 3.3Å; D229-V231 HydrophobicContact CB-CG2 4.26Å; D229-V231 PolarHBondContact O-N 2.87Å; V231-R233 PolarHBondContact O-N 3.16Å; V231-R233 VanDerWaalsContact O-N 3.1Å
232	C	28.6	Very low	29.4	Very low	96 Å²	96	135 Å²	135	65%	0.649	76%	0.756	S	S	*	*			trans	-67.2	103.9	164.7	-68.2	0	0	0	0	109.2	M230 N234	M230-C232 VanDerWaalsContact C-N 3.25Å; M230-C232 PolarHBondContact O-N 3.23Å; C232-N234 VanDerWaalsContact C-N 3.34Å; C232-N234 PolarHBondContact O-N 2.67Å
233	R	29.9	Very low	29.4	Very low	228 Å²	228	132.5 Å²	132.5	86%	0.86	75%	0.752	S	S	*	*			trans	-68.5	90.5	170.7	-94.3	-174.1	171.6	165.8	-0.8	110.8	V231 N235	V231-R233 PolarHBondContact O-N 3.16Å; V231-R233 VanDerWaalsContact O-N 3.1Å; R233-N235 PolarHBondContact O-N 2.83Å
234	N	28.6	Very low	29.6	Very low	138 Å²	138	138.7 Å²	138.7	74%	0.738	77%	0.765	S	S	*	*			trans	-69.8	89.1	164.8	-72.8	-27.2	0	0	0	110.3	C232 S236	C232-N234 VanDerWaalsContact C-N 3.34Å; C232-N234 PolarHBondContact O-N 2.67Å; N234-S236 VanDerWaalsContact C-N 3.27Å; N234-S236 PolarHBondContact O-N 3.47Å
235	N	30	Very low	29.7	Very low	146 Å²	146	137.7 Å²	137.7	78%	0.781	77%	0.765	S	S	*	*			trans	-90.5	71.3	158	-80.4	8.5	0	0	0	109	R233 H237	R233-N235 PolarHBondContact O-N 2.83Å; N235-H237 PolarHBondContact O-N 3.1Å; N235-H237 VanDerWaalsContact O-N 3.09Å
236	S	30.3	Very low	29.7	Very low	97 Å²	97	135.4 Å²	135.4	68%	0.678	76%	0.755	S	S	*	*			trans	-71.5	96.6	170	52.8	0	0	0	0	110	N234	N234-S236 VanDerWaalsContact C-N 3.27Å; N234-S236 PolarHBondContact O-N 3.47Å
237	H	34.5	Very low	30.1	Very low	175 Å²	175	137.4 Å²	137.4	81%	0.81	76%	0.761	S	S	*	*			trans	-104.4	97.4	153.3	-84.5	-66.1	0	0	0	109	N235 S239	N235-H237 PolarHBondContact O-N 3.1Å; N235-H237 VanDerWaalsContact O-N 3.09Å; H237-S239 PolarHBondContact O-N 2.88Å
238	T	28.3	Very low	30.1	Very low	126 Å²	126	140 Å²	140	77%	0.773	77%	0.772	S	S	*	*			trans	-52.1	121.6	159.9	24.8	0	0	0	0	109.7
239	S	32.2	Very low	30.3	Very low	111 Å²	111	146 Å²	146	78%	0.776	78%	0.78	S	S	*	*			trans	-135	99.6	154.5	49.7	0	0	0	0	107.1	H237 G241	H237-S239 PolarHBondContact O-N 2.88Å; S239-G241 VanDerWaalsContact C-N 3.35Å; S239-G241 PolarHBondContact O-N 2.89Å
240	D	29.5	Very low	30.4	Very low	152 Å²	152	147.1 Å²	147.1	81%	0.813	78%	0.783	S	S	*	*			trans	-69.9	93.5	173.6	-70.8	-54.2	0	0	0	108.9	I242	D240-I242 VanDerWaalsContact C-N 3.34Å; D240-I242 PolarHBondContact O-N 3.34Å; D240-I242 VanDerWaalsContact O-N 3.16Å
241	G	31.7	Very low	30.5	Very low	79 Å²	79	147 Å²	147	81%	0.814	79%	0.785	S	S	*	*			trans	-85	70.4	178.3	0	0	0	0	0	112.6	S239	S239-G241 VanDerWaalsContact C-N 3.35Å; S239-G241 PolarHBondContact O-N 2.89Å
242	I	30.1	Very low	30.8	Very low	149 Å²	149	147.6 Å²	147.6	76%	0.764	78%	0.784	S	S	*	*			trans	-4	124.3	166.1	-45.7	176.1	0	0	0	116.3	D240	D240-I242 VanDerWaalsContact C-N 3.34Å; D240-I242 PolarHBondContact O-N 3.34Å; D240-I242 VanDerWaalsContact O-N 3.16Å
243	S	29.3	Very low	30.8	Very low	107 Å²	107	151 Å²	151	75%	0.748	79%	0.79	S	S	*	*			trans	-62.8	134.8	167.5	47.6	0	0	0	0	112.5
244	Y	30	Very low	31.1	Very low	212 Å²	212	145 Å²	145	83%	0.831	78%	0.783	S	S	*	*			trans	-115.7	99.6	168.1	-137.4	-86.5	0	0	0	111
245	N	29.3	Very low	31.5	Very low	137 Å²	137	144.5 Å²	144.5	73%	0.733	78%	0.781	S	S	*	*			trans	-95.8	161.2	161.2	-85.9	-22.4	0	0	0	109.3
246	S	30.4	Very low	31.8	Very low	89 Å²	89	144.6 Å²	144.6	62%	0.622	78%	0.776	S	S	*	*			trans	63.4	111.6	159.5	55.3	0	0	0	0	119.8
247	E	34.3	Very low	31.9	Very low	190 Å²	190	146.6 Å²	146.6	89%	0.888	78%	0.779	S	S	*	*				84.7	131.2	122.2	-66.9	-180	179.7	0	0	122	R249	E247-R249 PolarHBondContact O-N 2.89Å
248	N	29.2	Very low	31.9	Very low	161 Å²	161	146.9 Å²	146.9	86%	0.861	78%	0.781	S	S	*	*			trans	-61.3	119	166	-63.8	-53.6	0	0	0	111.6
249	R	34.1	Very low	32.1	Very low	236 Å²	236	150.7 Å²	150.7	89%	0.891	78%	0.781	S	S	*	*			trans	-171	131.9	130.4	-106.8	158.8	-179.9	-104	-0	113.6	E247	E247-R249 PolarHBondContact O-N 2.89Å
250	M	27.8	Very low	32.3	Very low	168 Å²	168	150.4 Å²	150.4	83%	0.828	78%	0.777	S	S	*	*			trans	-19.5	129	166.7	-56.2	168.5	70.1	0	0	116.5
251	L	32.6	Very low	32.2	Very low	173 Å²	173	148.8 Å²	148.8	91%	0.906	77%	0.768	S	S	*	*			trans	-119.6	130.8	157.3	-73.3	177.1	0	0	0	109.6
252	N	36.2	Very low	32.3	Very low	129 Å²	129	150.5 Å²	150.5	69%	0.69	77%	0.768	S	S	*	*			trans	-90.8	140.1	175.6	-84.5	5	0	0	0	111.3
253	E	29	Very low	32.4	Very low	167 Å²	167	149.8 Å²	149.8	78%	0.78	77%	0.77	S	S	*	*			trans	56.6	136	139.3	-65	-177	127	0	0	122.8
254	S	36.4	Very low	32.4	Very low	104 Å²	104	152.6 Å²	152.6	73%	0.727	78%	0.775	S	S	*	*			trans	95.9	139.7	141.6	79.8	0	0	0	0	118.9
255	N	36	Very low	32.6	Very low	127 Å²	127	149 Å²	149	68%	0.679	78%	0.776	S	S	*	*			cis	-168.1	175.4	-31.6	-107.3	-19.3	0	0	0	107.8
256	H	36	Very low	32.4	Very low	148 Å²	148	150 Å²	150	69%	0.685	78%	0.78	S	S	*	*			trans	79.7	103.6	163.8	-52.9	-61.5	0	0	0	115.6
257	D	34	Very low	32.5	Very low	139 Å²	139	150.1 Å²	150.1	74%	0.743	79%	0.787	S	S	*	*				98.8	137.8	78.5	-72.1	-29.6	0	0	0	108.6
258	Q	33.3	Very low	32.5	Very low	180 Å²	180	150 Å²	150	84%	0.841	79%	0.787	S	S	*	*			cis	-161.2	148.7	22.6	-161.2	172.9	2.8	0	0	110.9
259	R	32.6	Very low	32.7	Very low	206 Å²	206	152.2 Å²	152.2	78%	0.777	79%	0.789	S	S	*	*			trans	-141.7	135.4	166.5	174.2	-171.5	150.1	157.6	-2.5	110.4	N261	R259-N261 PolarHBondContact NE-OD1 3.37Å; R259-N261 PolarHBondContact NH2-OD1 3.01Å
260	P	36.4	Very low	32.7	Very low	106 Å²	106	145.5 Å²	145.5	69%	0.688	78%	0.779	S	S	*	*			trans	-142	134	133.6	19.9	1.9	0	0	0	112.4
261	N	28	Very low	33	Very low	117 Å²	117	144.9 Å²	144.9	63%	0.626	78%	0.778	S	S	*	*				85.7	113.7	68.5	-69.4	-8.3	0	0	0	115.9	R259	R259-N261 PolarHBondContact NE-OD1 3.37Å; R259-N261 PolarHBondContact NH2-OD1 3.01Å
262	S	32.9	Very low	33	Very low	116 Å²	116	144.1 Å²	144.1	81%	0.811	78%	0.775	S	S	*	*			trans	-171.5	143.3	157.8	55.7	0	0	0	0	108.3
263	V	33.3	Very low	32.9	Very low	133 Å²	133	143 Å²	143	81%	0.806	78%	0.775	S	S	*	*			cis	-156.2	152.3	-9.5	138.1	0	0	0	0	106
264	L	29.4	Very low	33	Very low	166 Å²	166	142.8 Å²	142.8	87%	0.869	78%	0.779	S	S	*	*			trans	-98.9	145.3	175.1	-68.6	166.1	0	0	0	111.6
265	V	32.7	Very low	32.8	Very low	138 Å²	138	148.1 Å²	148.1	84%	0.836	79%	0.789	S	S	*	*			trans	-151.3	131.2	152.9	-177.1	0	0	0	0	109.6
266	D	26.5	Very low	32.4	Very low	156 Å²	156	146.7 Å²	146.7	83%	0.834	79%	0.789	S	S	*	*			trans	-84.4	161.9	175.2	-67.6	-61.6	0	0	0	113.7
267	A	32.9	Very low	32.3	Very low	93 Å²	93	145.8 Å²	145.8	77%	0.769	79%	0.789	S	S	*	*			trans	-155.4	107.5	156	0	0	0	0	0	111.7
268	E	34.3	Very low	32.3	Very low	188 Å²	188	146.9 Å²	146.9	88%	0.879	79%	0.79	S	S	*	*			trans	-84.5	145.2	159.7	-70.3	179.7	130.9	0	0	109.9
269	F	32.4	Very low	32.2	Very low	206 Å²	206	143.9 Å²	143.9	90%	0.904	78%	0.784	S	S	*	*			trans	-146.5	130.1	158.3	-88.2	-78.2	0	0	0	109.9
270	S	33.4	Very low	31.9	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	78%	0.782	S	S	*	*			trans	-93.1	166.4	167.9	53.7	0	0	0	0	111.1
271	D	35.7	Very low	31.7	Very low	154 Å²	154	143.2 Å²	143.2	82%	0.824	79%	0.789	S	S	*	*				159.1	121.9	125.1	-75.3	-9.4	0	0	0	112.2
272	D	30.8	Very low	31.8	Very low	157 Å²	157	144.9 Å²	144.9	84%	0.84	79%	0.793	S	S	*	*			trans	-81.2	156.2	162.3	-119.8	-22.7	0	0	0	108.6
273	P	34.5	Very low	31.8	Very low	106 Å²	106	149.6 Å²	149.6	69%	0.688	80%	0.8	S	S	*	*				-162.1	168	74.2	41.8	-19.9	0	0	0	119.9
274	L	30.8	Very low	31.6	Very low	163 Å²	163	150.9 Å²	150.9	85%	0.853	80%	0.797	S	S	*	*			trans	14.1	133.3	146.6	-63.1	169.5	0	0	0	122
275	F	32.5	Very low	31.8	Very low	215 Å²	215	151.8 Å²	151.8	94%	0.943	80%	0.797	S	S	*	*			trans	-135.1	144.3	146.6	-97.2	-87.8	0	0	0	111.1
276	S	29.2	Very low	31.5	Very low	97 Å²	97	152.1 Å²	152.1	68%	0.678	79%	0.794	S	S	*	*			trans	-121.4	-167.9	-173.5	56.3	0	0	0	0	112.4
277	N	32.8	Very low	31.8	Very low	129 Å²	129	152.6 Å²	152.6	69%	0.69	80%	0.795	S	S	*	*			trans	86.9	142.7	172.5	-51	24	0	0	0	113.5
278	E	33.8	Very low	31.8	Very low	162 Å²	162	152 Å²	152	76%	0.757	78%	0.784	S	S	*	*			cis	-165.8	167.9	-2.9	-104.7	169	-106.4	0	0	106.3
279	T	31.4	Very low	31.6	Very low	118 Å²	118	151 Å²	151	72%	0.724	78%	0.78	S	S	*	*			cis	-154.6	172.7	2.8	-117.5	0	0	0	0	110.1
280	L	26.1	Very low	31.5	Very low	140 Å²	140	149.3 Å²	149.3	73%	0.733	78%	0.775	S	S	*	*			trans	-61.4	154.9	-177.7	-69.9	148	0	0	0	117.5
281	N	32	Very low	31.5	Very low	158 Å²	158	148.8 Å²	148.8	85%	0.845	77%	0.771	S	S	*	*				-169.7	147.6	107.8	-93.8	-24.2	0	0	0	114.9
282	Q	30.6	Very low	31.2	Very low	151 Å²	151	148.2 Å²	148.2	71%	0.706	77%	0.768	S	S	*	*			trans	-73.4	156.6	179.8	-64.4	160.9	-68.4	0	0	112.3
283	F	33.3	Very low	31.3	Very low	215 Å²	215	150.7 Å²	150.7	94%	0.943	77%	0.767	S	S	*	*				-160.8	147.6	106.4	-95	-67.2	0	0	0	110.9
284	E	28.7	Very low	31.1	Very low	161 Å²	161	151.7 Å²	151.7	75%	0.752	77%	0.767	S	S	*	*			trans	-133	120.9	-169	166.8	-174.6	-156.6	0	0	106.9
285	E	32.9	Very low	31	Very low	185 Å²	185	150.8 Å²	150.8	86%	0.864	76%	0.761	S	S	*	*			trans	-157.3	130.1	156.7	-144.1	165	-166.5	0	0	111.5
286	N	28	Very low	30.9	Very low	144 Å²	144	148.3 Å²	148.3	77%	0.77	76%	0.756	S	S	*	*			trans	-104.6	134.5	176	-56.5	-79.5	0	0	0	108.9
287	I	32.4	Very low	30.8	Very low	167 Å²	167	148.3 Å²	148.3	86%	0.856	76%	0.756	S	S	*	*			trans	-144.1	144.6	149.2	-21.2	173.6	0	0	0	110
288	S	31.7	Very low	30.5	Very low	79 Å²	79	147.1 Å²	147.1	55%	0.552	76%	0.758	S	S	*	*			trans	-102.2	170.3	-168.8	53	0	0	0	0	113.7
289	E	31	Very low	30.3	Very low	169 Å²	169	146.4 Å²	146.4	79%	0.79	76%	0.764	S	S	*	*			trans	65.9	155	151.8	-69.2	146.3	159.7	0	0	116.4
290	E	30.3	Very low	30.3	Very low	170 Å²	170	145.9 Å²	145.9	79%	0.794	77%	0.766	S	S	*	*			cis	-157.1	165.3	8.1	-141.4	179.1	162.6	0	0	111.9
291	S	33.2	Very low	30.5	Very low	85 Å²	85	142.4 Å²	142.4	59%	0.594	76%	0.763	S	S	*	*			trans	55.2	107.7	146.2	69	0	0	0	0	123
292	N	29.6	Very low	30.5	Very low	142 Å²	142	140.6 Å²	140.6	76%	0.759	76%	0.76	S	S	*	*				56.3	156.2	109.3	-65.3	-13.2	0	0	0	124.5
293	Y	33.2	Very low	30.3	Very low	208 Å²	208	141.5 Å²	141.5	82%	0.816	76%	0.764	S	S	*	*			trans	81.3	143.7	168.9	-59.2	-80.3	0	0	0	116.9
294	D	28.9	Very low	30	Very low	127 Å²	127	138 Å²	138	68%	0.679	76%	0.755	S	S	*	*			cis	170.5	168	-25.1	-141.1	-27.3	0	0	0	105.1
295	I	29.2	Very low	30	Very low	145 Å²	145	139 Å²	139	74%	0.744	76%	0.76	S	S	*	*			trans	68.3	116.6	160.7	-51.9	145.8	0	0	0	117.2
296	I	30.9	Very low	29.6	Very low	163 Å²	163	140.3 Å²	140.3	84%	0.836	76%	0.763	S	S	*	*				-173.9	136.7	107	-85.9	178.9	0	0	0	108.3
297	S	27.4	Very low	29.7	Very low	97 Å²	97	140.8 Å²	140.8	68%	0.678	76%	0.764	S	S	*	*			trans	-110.4	150.2	179.9	171.3	0	0	0	0	112.2
298	S	25	Very low	29.4	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	76%	0.756	S	S	*	*			trans	52.5	113.4	147.6	59.9	0	0	0	0	120.9
299	V	30.7	Very low	29.4	Very low	146 Å²	146	144.4 Å²	144.4	89%	0.885	77%	0.772	S	S	*	*			trans	-140.2	132.5	150	-178.5	0	0	0	0	111.3
300	S	30.6	Very low	29.2	Very low	108 Å²	108	143.1 Å²	143.1	76%	0.755	77%	0.77	S	S	*	*			trans	-49.5	154.5	180	48.1	0	0	0	0	120.6
301	G	30	Very low	29.1	Very low	66 Å²	66	142.6 Å²	142.6	68%	0.68	77%	0.771	S	S	*	*			trans	-85.5	-175.2	159.2	0	0	0	0	0	113.9
302	P	33.3	Very low	29	Very low	121 Å²	121	144.2 Å²	144.2	79%	0.786	78%	0.779	S	S	*	*				-157.8	151.3	115	38.7	-19.6	0	0	0	119.4
303	H	26.4	Very low	28.7	Very low	169 Å²	169	144.5 Å²	144.5	78%	0.782	78%	0.781	S	S	*	*			trans	48.2	144.7	137.5	-75.3	-79.4	0	0	0	127.3
304	N	26.7	Very low	28.6	Very low	142 Å²	142	143.5 Å²	143.5	76%	0.759	78%	0.784	S	S	*	*			trans	81.1	147.9	156.7	-55.4	-22.3	0	0	0	117.3
305	Q	29.7	Very low	28.4	Very low	182 Å²	182	142.9 Å²	142.9	85%	0.85	79%	0.788	S	S	*	*			cis	-155.4	152.2	12.4	-155.6	159.1	-11.6	0	0	112
306	F	24.5	Very low	28.2	Very low	212 Å²	212	144.7 Å²	144.7	93%	0.93	79%	0.793	S	S	*	*			trans	-83.7	147.2	174.4	-85.1	-97.2	0	0	0	113.3
307	I	29.5	Very low	28.2	Very low	155 Å²	155	145.1 Å²	145.1	80%	0.795	79%	0.789	S	S	*	*			trans	-142.4	135.9	159.3	-53.9	179.9	0	0	0	109	Y309	I307-Y309 HydrophobicContact CG2-CD2 4.41Å; I307-Y309 HydrophobicContact CG2-CE2 4.33Å
308	S	26.5	Very low	28.2	Very low	97 Å²	97	151 Å²	151	68%	0.678	80%	0.798	S	S	*	*			trans	-111.3	154.2	177.1	56.5	0	0	0	0	112.2
309	Y	31.2	Very low	28.2	Very low	225 Å²	225	152.3 Å²	152.3	88%	0.882	80%	0.802	S	S	*	*			trans	-144.2	144.9	163.3	-94.6	-80.9	0	0	0	111.6	I307	I307-Y309 HydrophobicContact CG2-CD2 4.41Å; I307-Y309 HydrophobicContact CG2-CE2 4.33Å
310	D	26.9	Very low	28.1	Very low	141 Å²	141	152.5 Å²	152.5	75%	0.754	79%	0.793	S	S	*	*			trans	-103.5	-172.7	-167.7	-70.3	-65.9	0	0	0	114.3
311	I	28.3	Very low	28	Very low	159 Å²	159	154 Å²	154	82%	0.815	79%	0.792	S	S	*	*			trans	89.5	135.7	152	-47.9	-173.8	0	0	0	116.9
312	P	30.1	Very low	27.7	Very low	119 Å²	119	158.8 Å²	158.8	77%	0.773	80%	0.797	S	S	*	*			cis	-135.4	-169.5	-29.9	41	-22.4	0	0	0	113.8
313	N	24.7	Very low	27.5	Very low	148 Å²	148	158 Å²	158	79%	0.791	79%	0.794	S	S	*	*			trans	-115.1	131.7	174.6	-172.4	21.5	0	0	0	110.6
314	E	30.7	Very low	27.4	Very low	188 Å²	188	157.4 Å²	157.4	88%	0.879	80%	0.797	S	S	*	*			trans	-127.4	121	168.2	-84	-160.8	163.1	0	0	111.2
315	C	24.3	Very low	27.5	Very low	114 Å²	114	157.2 Å²	157.2	77%	0.77	81%	0.805	S	S	*	*			trans	-144.9	96.8	168.9	-87.9	0	0	0	0	108.9
316	E	25.6	Very low	27.2	Very low	182 Å²	182	153.3 Å²	153.3	85%	0.85	80%	0.798	S	S	*	*			trans	-168.8	116	161.3	-119.9	177.6	-144.9	0	0	112.4
317	K	29.8	Very low	27.3	Very low	173 Å²	173	151.2 Å²	151.2	75%	0.752	79%	0.791	S	S	*	*				170.5	156.4	128.7	-92.9	158.2	-174.9	166.1	0	113.4
318	Y	28.5	Very low	27.1	Very low	219 Å²	219	150.9 Å²	150.9	86%	0.859	79%	0.789	S	S	*	*			trans	90.5	76.3	169.9	-55.3	-67.6	0	0	0	118.8
319	V	25.5	Very low	27.1	Very low	133 Å²	133	151.2 Å²	151.2	81%	0.806	79%	0.791	S	S	*	*			trans	-109.4	147.1	146.3	-179.1	0	0	0	0	104.4
320	Q	27.2	Very low	26.7	Very low	149 Å²	149	148.4 Å²	148.4	70%	0.696	79%	0.792	S	S	*	*			cis	-156.4	156.5	26.4	-153.9	173.5	-56.4	0	0	110.3
321	N	28.5	Very low	26.7	Very low	139 Å²	139	147.8 Å²	147.8	74%	0.743	79%	0.792	S	S	*	*				165.8	157.7	118.5	-90.9	-11.7	0	0	0	117.2
322	E	25	Very low	26.6	Very low	167 Å²	167	147.4 Å²	147.4	78%	0.78	79%	0.791	S	S	*	*			trans	-84.8	148.4	-167	-55.1	160.1	131.6	0	0	113.8
323	S	27.9	Very low	26.5	Very low	104 Å²	104	148.1 Å²	148.1	73%	0.727	79%	0.793	S	S	*	*				154.7	143.8	105.5	57.4	0	0	0	0	114
324	N	25.1	Very low	26.6	Very low	157 Å²	157	145.6 Å²	145.6	84%	0.84	79%	0.786	S	S	*	*			trans	58.2	93.3	156.4	-58.3	-19.5	0	0	0	120
325	C	27.8	Very low	26.5	Very low	138 Å²	138	143.5 Å²	143.5	93%	0.932	78%	0.781	S	S	*	*			trans	-147.4	109.8	137	-127.9	0	0	0	0	112
326	S	24	Very low	26.5	Very low	100 Å²	100	145 Å²	145	70%	0.699	78%	0.78	S	S	*	*			trans	-88.5	124.2	170.2	52.3	0	0	0	0	110.2
327	H	26.9	Very low	26.7	Very low	168 Å²	168	139.5 Å²	139.5	78%	0.778	77%	0.773	S	S	*	*			trans	160.2	129	141.6	-94.8	-72.3	0	0	0	111.3
328	I	24.1	Very low	26.6	Very low	149 Å²	149	141.6 Å²	141.6	76%	0.764	78%	0.777	S	S	*	*			trans	64.8	110	151	-53.4	158.8	0	0	0	114.4
329	S	26.8	Very low	26.6	Very low	104 Å²	104	136.4 Å²	136.4	73%	0.727	77%	0.773	S	S	*	*				-169.8	158.1	66.3	-45	0	0	0	0	112.2	V331	S329-V331 PolarHBondContact O-N 3.5Å
330	D	23.4	Very low	26.6	Very low	166 Å²	166	138.6 Å²	138.6	89%	0.888	77%	0.774	S	S	*	*			trans	-70	112.2	172	-50.3	-85.8	0	0	0	113.7
331	V	26.8	Very low	26.7	Very low	127 Å²	127	140.2 Å²	140.2	77%	0.77	78%	0.782	S	S	*	*			trans	-146.8	109.7	155	175.6	0	0	0	0	111.2	S329	S329-V331 PolarHBondContact O-N 3.5Å
332	I	26.7	Very low	26.6	Very low	152 Å²	152	142.1 Å²	142.1	78%	0.779	79%	0.786	S	S	*	*			trans	45	109.5	143.6	-53.7	174.5	0	0	0	117.8	S334	I332-S334 PolarHBondContact O-N 2.86Å
333	V	27.4	Very low	26.6	Very low	134 Å²	134	139.8 Å²	139.8	81%	0.812	79%	0.787	S	S	*	*			trans	-52.8	128.8	162	174.9	0	0	0	0	111	D335	V333-D335 PolarHBondContact O-N 2.95Å
334	S	27.1	Very low	26.5	Very low	94 Å²	94	143.9 Å²	143.9	66%	0.657	80%	0.797	S	S	*	*			trans	-69	111.1	173.3	-65	0	0	0	0	111.6	I332 I336	I332-S334 PolarHBondContact O-N 2.86Å; S334-I336 PolarHBondContact O-N 2.84Å
335	D	27.4	Very low	26.5	Very low	144 Å²	144	144.2 Å²	144.2	77%	0.77	80%	0.797	S	S	*	*			trans	-64.1	96.4	161.4	-109.1	-3.1	0	0	0	108.6	V333 G337	V333-D335 PolarHBondContact O-N 2.95Å; D335-G337 VanDerWaalsContact C-N 3.26Å; D335-G337 PolarHBondContact O-N 3.41Å
336	I	25.5	Very low	26.4	Very low	145 Å²	145	145.1 Å²	145.1	74%	0.744	79%	0.793	S	S	*	*			trans	-77.7	82.7	166.1	-61.3	176	0	0	0	107	S334 Y338	S334-I336 PolarHBondContact O-N 2.84Å; I336-Y338 HydrophobicContact CG2-CE2 4.46Å
337	G	29.2	Very low	26.5	Very low	68 Å²	68	151.9 Å²	151.9	70%	0.701	80%	0.803	S	S	*	*			trans	-95.5	110.4	170.7	0	0	0	0	0	110.3	D335 S339	D335-G337 VanDerWaalsContact C-N 3.26Å; D335-G337 PolarHBondContact O-N 3.41Å; G337-S339 PolarHBondContact O-N 2.82Å
338	Y	26.9	Very low	26.4	Very low	217 Å²	217	151.7 Å²	151.7	85%	0.851	81%	0.806	S	S	*	*			trans	-57.1	125.9	-178.7	-83.4	-110.6	0	0	0	112.5	I336 H340	I336-Y338 HydrophobicContact CG2-CE2 4.46Å; Y338-H340 PolarHBondContact O-N 3.17Å
339	S	29	Very low	26.4	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	80%	0.804	S	S	*	*			trans	-82.6	104.5	157.9	52.5	0	0	0	0	109	G337 E341	G337-S339 PolarHBondContact O-N 2.82Å; S339-E341 PolarHBondContact O-N 2.96Å
340	H	26.1	Very low	26.3	Very low	180 Å²	180	149 Å²	149	83%	0.833	80%	0.798	S	S	*	*			trans	-82.1	63.5	179	-177.2	60.6	0	0	0	111.9	Y338	Y338-H340 PolarHBondContact O-N 3.17Å
341	E	29.9	Very low	26.5	Very low	183 Å²	183	150.6 Å²	150.6	86%	0.855	80%	0.8	S	S	*	*			trans	-143.9	57.3	168.5	-72.8	-163.4	160.4	0	0	110.9	S339	S339-E341 PolarHBondContact O-N 2.96Å
342	Q	26.3	Very low	26.6	Very low	178 Å²	178	147.8 Å²	147.8	83%	0.832	80%	0.797	S	S	*	*	S	Bend	trans	-156.6	144.6	163.9	-115.6	164.1	10.8	0	0	110.9
343	C	24.4	Very low	26.6	Very low	118 Å²	118	150.4 Å²	150.4	80%	0.797	80%	0.799	S	S	*	*			trans	69.1	78.1	175.4	-59	0	0	0	0	117.9
344	M	26	Very low	26.6	Very low	190 Å²	190	150.5 Å²	150.5	94%	0.936	80%	0.795	S	S	*	*			trans	-155.4	59.6	137.1	-82.1	-44.8	-96.3	0	0	111.8
345	L	25.1	Very low	26.8	Very low	164 Å²	164	154.8 Å²	154.8	86%	0.859	80%	0.804	S	S	*	*			trans	-129.5	136.9	158.5	-81	173.8	0	0	0	108.8
346	N	24.5	Very low	26.9	Very low	157 Å²	157	153.4 Å²	153.4	84%	0.84	81%	0.806	S	S	*	*			trans	102.2	70.8	178.9	-56.3	-21.5	0	0	0	117.2
347	R	27.2	Very low	27	Very low	243 Å²	243	156.2 Å²	156.2	92%	0.917	82%	0.816	S	S	*	*			trans	-160.2	90.5	136.8	-112.7	176	-170	-174.8	3.9	111.5
348	I	24	Very low	27	Very low	164 Å²	164	156.4 Å²	156.4	84%	0.841	82%	0.818	S	S	*	*			trans	-99.1	135.1	154.7	-65	173.5	0	0	0	106.4
349	P	24.8	Very low	26.9	Very low	110 Å²	110	154.7 Å²	154.7	71%	0.714	82%	0.821	S	S	*	*			trans	-128.4	115.2	130.2	15.5	3.5	0	0	0	111.1
350	S	24.8	Very low	26.9	Very low	87 Å²	87	153.5 Å²	153.5	61%	0.608	82%	0.818	S	S	*	*			trans	38.7	116	140.8	65.3	0	0	0	0	119.6
351	Q	26.7	Very low	26.9	Very low	198 Å²	198	154 Å²	154	93%	0.925	82%	0.818	S	S	*	*				162.9	146.8	109	-87.1	172.4	14.7	0	0	110.8
352	G	29.1	Very low	26.7	Very low	68 Å²	68	155.2 Å²	155.2	70%	0.701	82%	0.821	S	S	*	*			trans	119.4	76.8	157	0	0	0	0	0	118.1
353	Y	28	Very low	26.6	Very low	208 Å²	208	153.1 Å²	153.1	82%	0.816	82%	0.82	S	S	*	*			trans	36.4	114.8	139.4	-71	-85.2	0	0	0	122.3
354	N	26.8	Very low	26.7	Very low	136 Å²	136	155.9 Å²	155.9	73%	0.727	82%	0.822	S	S	*	*				59.4	151.1	119.5	-62.7	8.6	0	0	0	123.5
355	E	31.8	Very low	26.7	Very low	183 Å²	183	154.1 Å²	154.1	86%	0.855	82%	0.815	S	S	*	*			trans	92	90.3	167.2	-60.2	172.9	-165.9	0	0	114
356	S	27.8	Very low	26.7	Very low	115 Å²	115	154.3 Å²	154.3	80%	0.804	82%	0.815	S	S	*	*			cis	68.4	81.2	47.2	89.2	0	0	0	0	115.9
357	E	29.3	Very low	26.9	Very low	205 Å²	205	150 Å²	150	96%	0.958	81%	0.807	S	S	*	*			trans	-163.5	154	145.6	-162.2	149.3	-151.6	0	0	110.6
358	G	29.1	Very low	26.8	Very low	72 Å²	72	146.6 Å²	146.6	74%	0.742	80%	0.801	S	S	*	*			trans	110.4	55.4	163.6	0	0	0	0	0	119.3
359	I	24.6	Very low	26.8	Very low	180 Å²	180	146.9 Å²	146.9	92%	0.923	80%	0.804	S	S	*	*			trans	-113.3	101.1	156.9	-60.8	178.3	0	0	0	109.2
360	A	28.1	Very low	26.6	Very low	85 Å²	85	146.6 Å²	146.6	70%	0.702	80%	0.8	S	S	*	*			trans	-161.2	131.3	162.9	0	0	0	0	0	112.3
361	K	27.5	Very low	26.7	Very low	190 Å²	190	151.5 Å²	151.5	83%	0.826	81%	0.81	S	S	*	*			trans	67.5	106.7	160.9	-57.3	173.8	-179.1	-179.2	0	118.3
362	F	24.7	Very low	26.6	Very low	208 Å²	208	147.3 Å²	147.3	91%	0.912	80%	0.801	S	S	*	*				-144.6	122.9	118.9	-102.4	-76.1	0	0	0	109.7
363	T	24.1	Very low	26.3	Very low	134 Å²	134	151.8 Å²	151.8	82%	0.822	80%	0.803	S	S	*	*			trans	-155.6	159.2	170.8	-41.1	0	0	0	0	105.1
364	E	27.4	Very low	26.1	Very low	177 Å²	177	147.4 Å²	147.4	83%	0.827	80%	0.798	S	S	*	*			trans	67.2	132.7	-160.1	-95	163.1	-168.6	0	0	111.5
365	I	25.5	Very low	25.9	Very low	153 Å²	153	148.8 Å²	148.8	79%	0.785	80%	0.797	S	S	*	*			cis	-138.1	126.5	19.7	-59.4	167.3	0	0	0	109.7
366	I	25.7	Very low	25.8	Very low	168 Å²	168	149 Å²	149	86%	0.862	80%	0.796	S	S	*	*			trans	-122.6	116	154.7	-67.5	-177.2	0	0	0	106.4
367	G	27.6	Very low	25.6	Very low	65 Å²	65	148 Å²	148	67%	0.67	80%	0.795	S	S	*	*			trans	-72.2	142.9	177.3	0	0	0	0	0	111.9
368	E	24.7	Very low	25.5	Very low	173 Å²	173	147.7 Å²	147.7	81%	0.808	79%	0.794	S	S	*	*			trans	-67.7	144.6	-173.9	-63.7	172.8	115.1	0	0	114.2	V370	E368-V370 HydrophobicContact CB-CG2 4.28Å
369	L	24.2	Very low	25.4	Very low	169 Å²	169	150.8 Å²	150.8	89%	0.885	80%	0.798	S	S	*	*			trans	-127.8	102.4	149	-92.5	169.5	0	0	0	108.4
370	V	21.9	Very low	25.5	Very low	105 Å²	105	146.4 Å²	146.4	64%	0.636	79%	0.789	S	S	*	*			trans	-98.1	123.4	-179.9	173.7	0	0	0	0	110.4	E368	E368-V370 HydrophobicContact CB-CG2 4.28Å
371	F	25.5	Very low	25.5	Very low	189 Å²	189	148.8 Å²	148.8	83%	0.829	79%	0.79	S	S	*	*			trans	-144.4	155.7	158.6	-85.4	-79.4	0	0	0	109.5
372	P	25.5	Very low	25.5	Very low	111 Å²	111	145.1 Å²	145.1	72%	0.721	79%	0.785	S	S	*	*			trans	-94.1	162.2	-139.3	-8.7	28	0	0	0	116.3	V374	P372-V374 PolarHBondContact O-N 3.38Å
373	E	21.7	Very low	25.9	Very low	161 Å²	161	142.3 Å²	142.3	75%	0.752	78%	0.78	S	S	*	*			trans	-55.8	129.2	173.4	-67.9	-168.2	128.2	0	0	113	K375	E373-K375 WeakPolarHBondContact OE2-CE 3.29Å; E373-K375 IonicContact OE2-NZ 3.66Å
374	V	24.6	Very low	26.1	Very low	117 Å²	117	144.5 Å²	144.5	71%	0.709	78%	0.781	S	S	*	*			trans	-118.6	104	161.6	-177.5	0	0	0	0	108.2	P372 F376	P372-V374 PolarHBondContact O-N 3.38Å; V374-F376 HydrophobicContact CG1-CD2 3.76Å; V374-F376 HydrophobicContact CG1-CE2 3.51Å
375	K	23.4	Very low	26.1	Very low	164 Å²	164	141.3 Å²	141.3	71%	0.713	77%	0.773	S	S	*	*			trans	-81.5	122	177.4	-68.5	177.6	-178.5	170.2	0	110.2	E373	E373-K375 WeakPolarHBondContact OE2-CE 3.29Å; E373-K375 IonicContact OE2-NZ 3.66Å
376	F	27.9	Very low	26.4	Very low	187 Å²	187	143 Å²	143	82%	0.82	78%	0.778	S	S	*	*			trans	-126.2	136.2	160.8	-80.4	-71.5	0	0	0	110.4	V374	V374-F376 HydrophobicContact CG1-CD2 3.76Å; V374-F376 HydrophobicContact CG1-CE2 3.51Å
377	A	25.4	Very low	26.5	Very low	96 Å²	96	141.9 Å²	141.9	79%	0.793	77%	0.774	S	S	*	*			trans	-75.2	137.5	-170.6	0	0	0	0	0	112.4
378	Q	26.8	Very low	26.5	Very low	198 Å²	198	150.1 Å²	150.1	93%	0.925	79%	0.786	S	S	*	*			trans	-83.3	109.9	163.1	-72.6	-179.7	-15.9	0	0	109.1	A380	Q378-A380 PolarHBondContact O-N 3.06Å
379	T	25.5	Very low	26.6	Very low	136 Å²	136	146.6 Å²	146.6	83%	0.834	78%	0.778	S	S	*	*			trans	-85	109.1	167	-43.1	0	0	0	0	108.6
380	A	27.9	Very low	26.7	Very low	88 Å²	88	145.7 Å²	145.7	73%	0.727	77%	0.774	S	S	*	*			trans	-65.7	139.7	170.5	0	0	0	0	0	110.1	Q378 P382	Q378-A380 PolarHBondContact O-N 3.06Å; A380-P382 WeakPolarHBondContact O-CD 3.46Å
381	N	28.1	Very low	26.9	Very low	135 Å²	135	149 Å²	149	72%	0.722	78%	0.783	S	S	*	*			trans	-95.2	109.7	169	177.6	-0.9	0	0	0	108.7	N383	N381-N383 PolarHBondContact OD1-ND2 3.11Å
382	P	27.3	Very low	27	Very low	114 Å²	114	151 Å²	151	74%	0.74	79%	0.786	S	S	*	*			trans	-95	106.3	173.4	34.3	-25.3	0	0	0	109.3	A380	A380-P382 WeakPolarHBondContact O-CD 3.46Å
383	N	32.9	Very low	26.9	Very low	149 Å²	149	155.1 Å²	155.1	80%	0.797	80%	0.796	S	S	*	*			trans	-134.2	120	162.1	-85.8	-70.7	0	0	0	110.4	N381	N381-N383 PolarHBondContact OD1-ND2 3.11Å
384	Q	29.2	Very low	27.1	Very low	179 Å²	179	151.7 Å²	151.7	84%	0.836	80%	0.795	S	S	*	*			trans	-94.7	151.7	-170.9	-108.7	-174.9	-9.4	0	0	111.5
385	V	27.9	Very low	27.1	Very low	110 Å²	110	154 Å²	154	67%	0.667	80%	0.804	S	S	*	*			trans	67.1	118.3	141.6	178.4	0	0	0	0	117.8
386	Q	31.2	Very low	27.1	Very low	190 Å²	190	154.4 Å²	154.4	89%	0.888	81%	0.808	S	S	*	*				-164.6	135.4	106.9	-97.5	-177.5	10	0	0	111.3
387	D	27.3	Very low	27	Very low	144 Å²	144	151.9 Å²	151.9	77%	0.77	81%	0.812	S	S	*	*			trans	-73.5	152.4	179.2	-60	-75.8	0	0	0	113.4
388	Y	27.7	Very low	26.8	Very low	238 Å²	238	155.3 Å²	155.3	93%	0.933	81%	0.809	S	S	*	*			trans	-161.2	134	132.9	-103.9	-72.6	0	0	0	109.7
389	P	27.7	Very low	26.7	Very low	99 Å²	99	153 Å²	153	64%	0.643	80%	0.803	S	S	*	*			trans	-104.3	165.4	-166.9	39.6	-36.4	0	0	0	115.5
390	N	24.9	Very low	26.6	Very low	149 Å²	149	154.9 Å²	154.9	80%	0.797	80%	0.8	S	S	*	*			trans	61.5	115.7	156.2	-57.8	-8.2	0	0	0	119.2
391	E	26.1	Very low	26.4	Very low	175 Å²	175	157.6 Å²	157.6	82%	0.818	80%	0.802	S	S	*	*				176	122.8	94.6	-91.3	-178.4	-169.2	0	0	110
392	Y	28.5	Very low	26.3	Very low	230 Å²	230	156.7 Å²	156.7	90%	0.902	81%	0.805	S	S	*	*			trans	165.2	96.3	141.9	-97.2	-65.7	0	0	0	109.6
393	E	23.5	Very low	26.3	Very low	198 Å²	198	160.3 Å²	160.3	93%	0.925	81%	0.809	S	S	*	*			trans	-69.2	134.5	168.9	-66.2	173.2	134	0	0	110.7
394	A	26	Very low	25.8	Very low	89 Å²	89	158 Å²	158	74%	0.736	81%	0.811	S	S	*	*			trans	-160.8	95.6	157.7	0	0	0	0	0	110.1
395	D	24.2	Very low	25.7	Very low	167 Å²	167	152.6 Å²	152.6	89%	0.893	80%	0.803	S	S	*	*			trans	62.5	101.9	160.7	-56.5	-19.6	0	0	0	119.3
396	E	24.2	Very low	25.5	Very low	172 Å²	172	158 Å²	158	80%	0.804	82%	0.817	S	S	*	*			trans	-60.8	142.9	166.2	-56.3	174.3	118.6	0	0	112.8
397	C	24.3	Very low	25.6	Very low	134 Å²	134	153.5 Å²	153.5	91%	0.905	81%	0.807	S	S	*	*			trans	-159.5	83.8	145	-99.6	0	0	0	0	108.7
398	F	21.8	Very low	25.6	Very low	168 Å²	168	148.7 Å²	148.7	74%	0.737	79%	0.785	S	S	*	*			trans	-68.6	134.3	167.5	-86.5	-95.7	0	0	0	110.4
399	L	24.5	Very low	25.8	Very low	150 Å²	150	143.8 Å²	143.8	79%	0.785	77%	0.774	S	S	*	*			trans	-154.3	87.6	138.4	-148.9	76.6	0	0	0	110.7
400	F	24	Very low	25.8	Very low	175 Å²	175	143.9 Å²	143.9	77%	0.768	77%	0.773	S	S	*	*			trans	-66.7	131.8	147.5	-87.4	-104.5	0	0	0	107.1
401	D	22.6	Very low	26.2	Very low	145 Å²	145	141.7 Å²	141.7	78%	0.775	76%	0.758	S	S	*	*			trans	169.2	-9.6	149.5	-90.2	-13.4	0	0	0	114.5	F403	D401-F403 PolarHBondContact O-N 3Å
402	C	25.8	Very low	26.6	Very low	115 Å²	115	135.6 Å²	135.6	78%	0.777	73%	0.734	S	S	*	*			trans	-77.1	15.5	-176.4	-67.3	0	0	0	0	116.7
403	F	27.1	Very low	26.9	Very low	190 Å²	190	129.9 Å²	129.9	83%	0.833	72%	0.716	S	S	*	*			trans	-115.1	65.6	-175.2	-69.1	-72.5	0	0	0	113.5	D401	D401-F403 PolarHBondContact O-N 3Å
404	A	24	Very low	27.6	Very low	102 Å²	102	124.4 Å²	124.4	84%	0.843	70%	0.696	S	S	*	*			trans	-129.7	40.8	170.7	0	0	0	0	0	112.2
405	G	25.7	Very low	28.3	Very low	65 Å²	65	122.4 Å²	122.4	67%	0.67	67%	0.672	S	S	*	*			trans	-107.6	123.3	174.3	0	0	0	0	0	111.1	S407	G405-S407 PolarHBondContact O-N 3.37Å
406	K	25.3	Very low	29.3	Very low	222 Å²	222	118.7 Å²	118.7	97%	0.965	65%	0.652	S	S	*	*			trans	-69.3	87.6	-175.3	-61.8	172.7	-178.5	174.8	0	112.4
407	S	31.5	Very low	30.2	Very low	96 Å²	96	114.9 Å²	114.9	67%	0.671	64%	0.64	S	S	*	*			trans	-88.2	136.2	148.2	52.4	0	0	0	0	108.3	G405 L409	G405-S407 PolarHBondContact O-N 3.37Å; S407-L409 PolarHBondContact O-N 3.4Å
408	S	29.1	Very low	31.1	Very low	43 Å²	43	115.2 Å²	115.2	30%	0.301	62%	0.623	S	S	.	*			trans	-71.2	135.5	-179.5	76.9	0	0	0	0	109.5	V410 E411	S408-V410 PolarHBondContact O-N 2.86Å; S408-V410 VanDerWaalsContact O-N 3.1Å; S408-E411 WeakPolarHBondContact CB-OE1 3.26Å; S408-E411 PolarHBondContact O-N 3.41Å; S408-E411 WeakPolarHBondContact OG-CG 3.37Å; S408-E411 PolarHBondContact OG-N 3.33Å; S408-E411 VanDerWaalsContact OG-N 3.13Å; S408-E411 PolarHBondContact OG-OE1 3.46Å
409	L	30.3	Very low	32.1	Very low	135 Å²	135	110.7 Å²	110.7	71%	0.707	61%	0.606	S	S	*	*	H	α-helix	trans	-53	-31.1	169.9	-91.9	158.4	0	0	0	110.8	S407 S412 H413	S407-L409 PolarHBondContact O-N 3.4Å; L409-S412 PolarHBondContact O-OG 2.75Å; L409-H413 PolarHBondContact O-N 3.25Å; L409-H413 VanDerWaalsContact O-N 3.17Å; L409-H413 PolarHBondContact O-ND1 3.15Å
410	V	29.1	Very low	32.9	Very low	102 Å²	102	107.8 Å²	107.8	62%	0.618	59%	0.591	S	S	*	*	H	α-helix	trans	-58.7	-50.7	178.1	-171.1	0	0	0	0	112.7	S408 S412 H413 V414	S408-V410 PolarHBondContact O-N 2.86Å; S408-V410 VanDerWaalsContact O-N 3.1Å; V410-S412 VanDerWaalsContact C-N 3.35Å; V410-S412 PolarHBondContact O-N 2.87Å; V410-H413 WeakPolarHBondContact O-CB 3.11Å; V410-H413 PolarHBondContact O-N 3.38Å; V410-V414 WeakPolarHBondContact O-CG2 3.44Å; V410-V414 PolarHBondContact O-N 3.04Å
411	E	33.6	Very low	33.8	Very low	103 Å²	103	101.9 Å²	101.9	48%	0.481	58%	0.575	S	S	.	*	H	α-helix	trans	-60.3	-42.8	-178.1	-77.5	146.6	-125.8	0	0	112.4	S408 H413 V414 L415	S408-E411 WeakPolarHBondContact CB-OE1 3.26Å; S408-E411 PolarHBondContact O-N 3.41Å; S408-E411 WeakPolarHBondContact OG-CG 3.37Å; S408-E411 PolarHBondContact OG-N 3.33Å; S408-E411 VanDerWaalsContact OG-N 3.13Å; S408-E411 PolarHBondContact OG-OE1 3.46Å; E411-H413 VanDerWaalsContact C-N 3.3Å; E411-H413 PolarHBondContact O-N 3.48Å; E411-V414 PolarHBondContact O-N 2.97Å; E411-L415 PolarHBondContact O-N 3.26Å
412	S	34.1	Very low	34.7	Very low	46 Å²	46	97.4 Å²	97.4	32%	0.322	55%	0.547	S	S	.	.	H	α-helix	trans	-62.8	-37.4	175.2	72.3	0	0	0	0	112.2	L409 V410 I416	L409-S412 PolarHBondContact O-OG 2.75Å; V410-S412 VanDerWaalsContact C-N 3.35Å; V410-S412 PolarHBondContact O-N 2.87Å; S412-I416 WeakPolarHBondContact O-CB 3.49Å; S412-I416 WeakPolarHBondContact O-CD1 3.41Å; S412-I416 VanDerWaalsContact O-CG1 3.22Å; S412-I416 WeakPolarHBondContact O-CG1 3.47Å; S412-I416 PolarHBondContact O-N 2.86Å; S412-I416 VanDerWaalsContact O-N 3.1Å
413	H	33.6	Very low	35.2	Very low	110 Å²	110	94.7 Å²	94.7	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-71.3	-35.5	178.7	-78.7	49	0	0	0	112.1	L409 V410 E411 T417	L409-H413 PolarHBondContact O-N 3.25Å; L409-H413 VanDerWaalsContact O-N 3.17Å; L409-H413 PolarHBondContact O-ND1 3.15Å; V410-H413 WeakPolarHBondContact O-CB 3.11Å; V410-H413 PolarHBondContact O-N 3.38Å; E411-H413 VanDerWaalsContact C-N 3.3Å; E411-H413 PolarHBondContact O-N 3.48Å; H413-T417 VanDerWaalsContact O-CB 3.22Å; H413-T417 WeakPolarHBondContact O-CB 3.43Å; H413-T417 PolarHBondContact O-N 3.17Å; H413-T417 PolarHBondContact O-OG1 2.94Å
414	V	39.7	Very low	35.7	Very low	84 Å²	84	88.8 Å²	88.8	51%	0.509	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-47.1	174.9	173.5	0	0	0	0	110.7	V410 E411 I416 T417 Y418	V410-V414 WeakPolarHBondContact O-CG2 3.44Å; V410-V414 PolarHBondContact O-N 3.04Å; E411-V414 PolarHBondContact O-N 2.97Å; V414-I416 PolarHBondContact O-N 3.01Å; V414-T417 PolarHBondContact O-N 3.15Å; V414-Y418 PolarHBondContact O-N 3.14Å
415	L	39.3	Very low	36.2	Very low	47 Å²	47	88 Å²	88	25%	0.246	49%	0.491	C	S	.	.	H	α-helix	trans	-62.6	-45.2	178.9	-159	83	0	0	0	111.6	E411 T417 Y418 I419 Y449	E411-L415 PolarHBondContact O-N 3.26Å; L415-T417 VanDerWaalsContact C-N 3.33Å; L415-T417 PolarHBondContact O-N 3.25Å; L415-Y418 PolarHBondContact O-N 3.16Å; L415-I419 HydrophobicContact CD2-CD1 4.43Å; L415-I419 HydrophobicContact CG-CD1 4.22Å; L415-I419 WeakPolarHBondContact O-CD1 3.4Å; L415-I419 VanDerWaalsContact O-CG1 3.27Å; L415-I419 WeakPolarHBondContact O-CG1 3.45Å; L415-I419 PolarHBondContact O-N 3.36Å; L415-Y449 HydrophobicContact CD1-CD1 4.48Å
416	I	44.9	Very low	36.6	Very low	89 Å²	89	89 Å²	89	46%	0.456	48%	0.476	S	S	.	.	H	α-helix	trans	-61.8	-41.2	175.5	-69.8	166.7	0	0	0	111	S412 V414 I419 N420	S412-I416 WeakPolarHBondContact O-CB 3.49Å; S412-I416 WeakPolarHBondContact O-CD1 3.41Å; S412-I416 VanDerWaalsContact O-CG1 3.22Å; S412-I416 WeakPolarHBondContact O-CG1 3.47Å; S412-I416 PolarHBondContact O-N 2.86Å; S412-I416 VanDerWaalsContact O-N 3.1Å; V414-I416 PolarHBondContact O-N 3.01Å; I416-I419 PolarHBondContact O-N 3.13Å; I416-N420 WeakPolarHBondContact CG2-ND2 3.44Å; I416-N420 VanDerWaalsContact O-CB 3.29Å; I416-N420 WeakPolarHBondContact O-CB 3.23Å; I416-N420 PolarHBondContact O-N 3.09Å; I416-N420 PolarHBondContact O-ND2 3.05Å
417	T	43.9	Very low	37.1	Very low	91 Å²	91	82.8 Å²	82.8	56%	0.558	46%	0.46	S	S	*	.	H	α-helix	trans	-65.7	-41.4	178.2	-59.4	0	0	0	0	111.4	H413 V414 L415 N420 A421	H413-T417 VanDerWaalsContact O-CB 3.22Å; H413-T417 WeakPolarHBondContact O-CB 3.43Å; H413-T417 PolarHBondContact O-N 3.17Å; H413-T417 PolarHBondContact O-OG1 2.94Å; V414-T417 PolarHBondContact O-N 3.15Å; L415-T417 VanDerWaalsContact C-N 3.33Å; L415-T417 PolarHBondContact O-N 3.25Å; T417-N420 PolarHBondContact O-N 3.43Å; T417-A421 VanDerWaalsContact O-CB 3.29Å; T417-A421 WeakPolarHBondContact O-CB 3.49Å; T417-A421 PolarHBondContact O-N 3.37Å
418	Y	42.6	Very low	37.3	Very low	141 Å²	141	84.4 Å²	84.4	55%	0.553	46%	0.461	S	S	*	.	H	α-helix	trans	-65.4	-43.1	176.9	-165.7	-95.1	0	0	0	111.9	V414 L415 A421 Y422	V414-Y418 PolarHBondContact O-N 3.14Å; L415-Y418 PolarHBondContact O-N 3.16Å; Y418-A421 PolarHBondContact O-N 3.44Å; Y418-Y422 WeakPolarHBondContact O-CB 3.47Å; Y418-Y422 PolarHBondContact O-N 3.37Å
419	I	43.1	Very low	37.5	Very low	73 Å²	73	89 Å²	89	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-44.2	174	-68.4	164.8	0	0	0	110.8	L415 I416 Y422 L423	L415-I419 HydrophobicContact CD2-CD1 4.43Å; L415-I419 HydrophobicContact CG-CD1 4.22Å; L415-I419 WeakPolarHBondContact O-CD1 3.4Å; L415-I419 VanDerWaalsContact O-CG1 3.27Å; L415-I419 WeakPolarHBondContact O-CG1 3.45Å; L415-I419 PolarHBondContact O-N 3.36Å; I416-I419 PolarHBondContact O-N 3.13Å; I419-Y422 PolarHBondContact O-N 2.88Å; I419-L423 HydrophobicContact CG2-CD1 3.96Å; I419-L423 WeakPolarHBondContact O-CB 3.35Å; I419-L423 VanDerWaalsContact O-CG 3.31Å; I419-L423 WeakPolarHBondContact O-CG 3.35Å; I419-L423 PolarHBondContact O-N 3.15Å
420	N	41.7	Very low	37.7	Very low	89 Å²	89	89.6 Å²	89.6	48%	0.476	48%	0.483	S	S	.	.	H	α-helix	trans	-68.3	-35.7	177.9	-72.6	-19.4	0	0	0	112.9	I416 T417 L423 S424	I416-N420 WeakPolarHBondContact CG2-ND2 3.44Å; I416-N420 VanDerWaalsContact O-CB 3.29Å; I416-N420 WeakPolarHBondContact O-CB 3.23Å; I416-N420 PolarHBondContact O-N 3.09Å; I416-N420 PolarHBondContact O-ND2 3.05Å; T417-N420 PolarHBondContact O-N 3.43Å; N420-L423 PolarHBondContact O-N 3.46Å; N420-S424 WeakPolarHBondContact O-CB 3.34Å; N420-S424 PolarHBondContact O-N 2.94Å
421	A	42	Very low	38	Very low	51 Å²	51	92 Å²	92	42%	0.421	49%	0.493	S	S	.	.	H	α-helix	trans	-65.8	-44.9	173.4	0	0	0	0	0	111	T417 Y418 L423 S424 V425	T417-A421 VanDerWaalsContact O-CB 3.29Å; T417-A421 WeakPolarHBondContact O-CB 3.49Å; T417-A421 PolarHBondContact O-N 3.37Å; Y418-A421 PolarHBondContact O-N 3.44Å; A421-L423 PolarHBondContact O-N 3.35Å; A421-S424 WeakPolarHBondContact O-CB 3.48Å; A421-S424 PolarHBondContact O-N 3.34Å; A421-S424 VanDerWaalsContact O-N 3.17Å; A421-V425 WeakPolarHBondContact O-CG2 3.42Å; A421-V425 PolarHBondContact O-N 3.17Å
422	Y	41.6	Very low	38.1	Very low	52 Å²	52	95.9 Å²	95.9	20%	0.204	51%	0.508	C	S	.	.	H	α-helix	trans	-61.6	-42	174.2	-170.6	-92.4	0	0	0	111.8	Y418 I419 S424 V425 Y426 M446	Y418-Y422 WeakPolarHBondContact O-CB 3.47Å; Y418-Y422 PolarHBondContact O-N 3.37Å; I419-Y422 PolarHBondContact O-N 2.88Å; Y422-S424 VanDerWaalsContact C-N 3.34Å; Y422-S424 PolarHBondContact O-N 3.06Å; Y422-V425 PolarHBondContact O-N 3.41Å; Y422-Y426 VanDerWaalsContact O-CB 3.31Å; Y422-Y426 WeakPolarHBondContact O-CB 3.34Å; Y422-Y426 PolarHBondContact O-N 2.75Å; Y422-M446 HydrophobicContact CD1-CE 3.76Å; Y422-M446 HydrophobicContact CD2-CE 3.65Å; Y422-M446 HydrophobicContact CE1-CE 3.62Å; Y422-M446 HydrophobicContact CE2-CE 3.5Å; Y422-M446 VanDerWaalsContact CE2-CE 3.5Å; Y422-M446 HydrophobicContact CG-CE 3.78Å; Y422-M446 VanDerWaalsContact CZ-CE 3.48Å
423	L	37.9	Very low	38.2	Very low	57 Å²	57	103 Å²	103	30%	0.298	53%	0.534	S	S	.	.	H	α-helix	trans	-60	-40.8	172.3	-78.9	163	0	0	0	112.4	I419 N420 A421 S427	I419-L423 HydrophobicContact CG2-CD1 3.96Å; I419-L423 WeakPolarHBondContact O-CB 3.35Å; I419-L423 VanDerWaalsContact O-CG 3.31Å; I419-L423 WeakPolarHBondContact O-CG 3.35Å; I419-L423 PolarHBondContact O-N 3.15Å; N420-L423 PolarHBondContact O-N 3.46Å; A421-L423 PolarHBondContact O-N 3.35Å; L423-S427 VanDerWaalsContact O-CB 3.26Å; L423-S427 WeakPolarHBondContact O-CB 3.26Å; L423-S427 PolarHBondContact O-N 3.13Å; L423-S427 PolarHBondContact O-OG 3.5Å
424	S	36.3	Very low	38.4	Very low	67 Å²	67	104.7 Å²	104.7	47%	0.469	55%	0.546	S	S	.	.	H	α-helix	trans	-65.4	-45.1	177.1	-176.5	0	0	0	0	112.2	N420 A421 Y422 S427 N428	N420-S424 WeakPolarHBondContact O-CB 3.34Å; N420-S424 PolarHBondContact O-N 2.94Å; A421-S424 WeakPolarHBondContact O-CB 3.48Å; A421-S424 PolarHBondContact O-N 3.34Å; A421-S424 VanDerWaalsContact O-N 3.17Å; Y422-S424 VanDerWaalsContact C-N 3.34Å; Y422-S424 PolarHBondContact O-N 3.06Å; S424-S427 PolarHBondContact O-N 3.23Å; S424-N428 PolarHBondContact O-N 3.2Å
425	V	35.1	Very low	38.1	Very low	84 Å²	84	104.2 Å²	104.2	51%	0.509	54%	0.539	S	S	.	.	H	α-helix	trans	-63.1	-46.5	175.5	174	0	0	0	0	110.7	A421 Y422 S427 N428 M429	A421-V425 WeakPolarHBondContact O-CG2 3.42Å; A421-V425 PolarHBondContact O-N 3.17Å; Y422-V425 PolarHBondContact O-N 3.41Å; V425-S427 VanDerWaalsContact C-N 3.33Å; V425-S427 PolarHBondContact O-N 3.37Å; V425-N428 PolarHBondContact O-N 2.9Å; V425-M429 HydrophobicContact CG1-CE 4.15Å; V425-M429 WeakPolarHBondContact O-CG 3.23Å
426	Y	34.7	Very low	37.6	Very low	88 Å²	88	110.3 Å²	110.3	35%	0.345	56%	0.56	S	S	.	*	H	α-helix	trans	-65.2	-35	179.4	-165.2	-93.7	0	0	0	112.6	Y422 N428 F439	Y422-Y426 VanDerWaalsContact O-CB 3.31Å; Y422-Y426 WeakPolarHBondContact O-CB 3.34Å; Y422-Y426 PolarHBondContact O-N 2.75Å; Y426-N428 VanDerWaalsContact C-N 3.34Å; Y426-N428 PolarHBondContact O-N 3.39Å; Y426-F439 HydrophobicContact CE2-CE2 4.43Å
427	S	35.7	Very low	36.9	Very low	90 Å²	90	113.5 Å²	113.5	63%	0.629	57%	0.573	S	S	*	*	H	α-helix	trans	-71.8	-24.2	179.7	-59.4	0	0	0	0	113.9	L423 S424 V425	L423-S427 VanDerWaalsContact O-CB 3.26Å; L423-S427 WeakPolarHBondContact O-CB 3.26Å; L423-S427 PolarHBondContact O-N 3.13Å; L423-S427 PolarHBondContact O-OG 3.5Å; S424-S427 PolarHBondContact O-N 3.23Å; V425-S427 VanDerWaalsContact C-N 3.33Å; V425-S427 PolarHBondContact O-N 3.37Å
428	N	35	Very low	36.3	Very low	130 Å²	130	115 Å²	115	70%	0.695	58%	0.577	S	S	*	*	H	α-helix	trans	-90.7	-12.8	-179.5	-91.3	-45	0	0	0	114.4	S424 V425 Y426 N430	S424-N428 PolarHBondContact O-N 3.2Å; V425-N428 PolarHBondContact O-N 2.9Å; Y426-N428 VanDerWaalsContact C-N 3.34Å; Y426-N428 PolarHBondContact O-N 3.39Å; N428-N430 PolarHBondContact O-N 3.26Å
429	M	32.8	Very low	35.7	Very low	139 Å²	139	110 Å²	110	69%	0.685	56%	0.559	S	S	*	*			trans	-93.5	74.9	-170	-69	-90.2	-172.6	0	0	112.9	V425 N431	V425-M429 HydrophobicContact CG1-CE 4.15Å; V425-M429 WeakPolarHBondContact O-CG 3.23Å; M429-N431 PolarHBondContact O-N 3.33Å; M429-N431 VanDerWaalsContact O-N 3.08Å
430	N	35.4	Very low	35.2	Very low	148 Å²	148	113.6 Å²	113.6	79%	0.791	57%	0.568	S	S	*	*			trans	-67.5	-3.5	-177.7	-91.2	-42.5	0	0	0	116.4	N428 K432	N428-N430 PolarHBondContact O-N 3.26Å; N430-K432 PolarHBondContact O-N 2.76Å
431	N	35.4	Very low	34.7	Very low	154 Å²	154	112.8 Å²	112.8	82%	0.824	57%	0.57	S	S	*	*			trans	-99.4	85	-172.8	-92.5	-30	0	0	0	114	M429 K433	M429-N431 PolarHBondContact O-N 3.33Å; M429-N431 VanDerWaalsContact O-N 3.08Å; N431-K433 PolarHBondContact O-N 3.12Å
432	K	35.9	Very low	34.3	Very low	184 Å²	184	112.5 Å²	112.5	80%	0.8	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	6.5	-174.9	-65.9	179.3	175.7	175	0	118	N430	N430-K432 PolarHBondContact O-N 2.76Å
433	K	36.8	Very low	33.8	Very low	196 Å²	196	111.7 Å²	111.7	85%	0.852	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	-27.3	-165.3	-119	179.6	-179.4	-178.8	0	116.9	N431	N431-K433 PolarHBondContact O-N 3.12Å
434	N	35.9	Very low	33.7	Very low	144 Å²	144	112.6 Å²	112.6	77%	0.77	57%	0.574	S	S	*	*	S	Bend	trans	-101.5	9.8	176.9	-66.6	4.1	0	0	0	112.4	Y436	N434-Y436 VanDerWaalsContact C-N 3.33Å; N434-Y436 PolarHBondContact O-N 3.25Å
435	M	33.6	Very low	33.8	Very low	75 Å²	75	115.9 Å²	115.9	37%	0.369	58%	0.581	S	S	.	*	H	α-helix	trans	-72.2	-16	-157.7	-146	-179.4	83.9	0	0	115.5	F439	M435-F439 WeakPolarHBondContact O-CB 3.4Å
436	Y	29.6	Very low	33.9	Very low	175 Å²	175	113.7 Å²	113.7	69%	0.686	57%	0.566	S	S	*	*	H	α-helix	trans	-79.9	-41.9	-168.1	-86	-84.2	0	0	0	114.6	N434 Y440	N434-Y436 VanDerWaalsContact C-N 3.33Å; N434-Y436 PolarHBondContact O-N 3.25Å; Y436-Y440 HydrophobicContact CD1-CE2 4.31Å; Y436-Y440 VanDerWaalsContact O-CD2 3.31Å; Y436-Y440 WeakPolarHBondContact O-CD2 3.49Å; Y436-Y440 PolarHBondContact O-N 3.02Å
437	H	30.3	Very low	34	Very low	156 Å²	156	111.6 Å²	111.6	72%	0.722	56%	0.56	S	S	*	*	H	α-helix	trans	-74.5	-47.8	-170.1	-126.4	-70.6	0	0	0	112.3	F439 Y440 S441	H437-F439 VanDerWaalsContact C-N 3.29Å; H437-F439 PolarHBondContact O-N 3.03Å; H437-Y440 PolarHBondContact O-N 3.08Å; H437-S441 PolarHBondContact O-N 2.91Å
438	D	31.9	Very low	34.3	Very low	122 Å²	122	113 Å²	113	65%	0.652	56%	0.557	S	S	*	*	H	α-helix	trans	-69.6	-28.7	179.7	-56.5	-29.6	0	0	0	112.1	S442	D438-S442 WeakPolarHBondContact O-CB 3.45Å; D438-S442 PolarHBondContact O-N 2.93Å; D438-S442 PolarHBondContact O-OG 3.3Å
439	F	29.4	Very low	34.4	Very low	37 Å²	37	114 Å²	114	16%	0.162	55%	0.552	C	S	.	*	H	α-helix	trans	-66.5	-41.4	175.6	-179.9	-95.5	0	0	0	112.1	Y426 M435 H437 S442 Q443	Y426-F439 HydrophobicContact CE2-CE2 4.43Å; M435-F439 WeakPolarHBondContact O-CB 3.4Å; H437-F439 VanDerWaalsContact C-N 3.29Å; H437-F439 PolarHBondContact O-N 3.03Å; F439-S442 WeakPolarHBondContact CA-OG 3.44Å; F439-S442 PolarHBondContact O-OG 3.36Å; F439-Q443 HydrophobicContact CD1-CG 4.21Å; F439-Q443 HydrophobicContact CE1-CG 3.92Å; F439-Q443 HydrophobicContact CE2-CG 4.46Å; F439-Q443 HydrophobicContact CZ-CG 4.06Å; F439-Q443 VanDerWaalsContact O-CB 3.25Å; F439-Q443 WeakPolarHBondContact O-CB 3.44Å; F439-Q443 WeakPolarHBondContact O-CG 3.39Å; F439-Q443 PolarHBondContact O-N 2.84Å
440	Y	31.3	Very low	34.6	Very low	147 Å²	147	109.3 Å²	109.3	58%	0.576	53%	0.529	S	S	*	.	H	α-helix	trans	-66.7	-44.5	175.8	-87.5	-69.6	0	0	0	112.1	Y436 H437 S442 Q443 S444	Y436-Y440 HydrophobicContact CD1-CE2 4.31Å; Y436-Y440 VanDerWaalsContact O-CD2 3.31Å; Y436-Y440 WeakPolarHBondContact O-CD2 3.49Å; Y436-Y440 PolarHBondContact O-N 3.02Å; H437-Y440 PolarHBondContact O-N 3.08Å; Y440-S442 PolarHBondContact O-N 3.12Å; Y440-Q443 PolarHBondContact O-N 3.31Å; Y440-S444 PolarHBondContact O-N 3.12Å; Y440-S444 PolarHBondContact O-OG 3.31Å
441	S	31.9	Very low	34.6	Very low	72 Å²	72	109.4 Å²	109.4	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-38.8	177.8	-64.5	0	0	0	0	113.2	H437 H445	H437-S441 PolarHBondContact O-N 2.91Å; S441-H445 PolarHBondContact O-N 3.24Å
442	S	32.9	Very low	34.6	Very low	45 Å²	45	107.8 Å²	107.8	32%	0.315	51%	0.513	S	S	.	.	H	α-helix	trans	-76	-31.4	175.6	54.2	0	0	0	0	113.2	D438 F439 Y440 M446	D438-S442 WeakPolarHBondContact O-CB 3.45Å; D438-S442 PolarHBondContact O-N 2.93Å; D438-S442 PolarHBondContact O-OG 3.3Å; F439-S442 WeakPolarHBondContact CA-OG 3.44Å; F439-S442 PolarHBondContact O-OG 3.36Å; Y440-S442 PolarHBondContact O-N 3.12Å; S442-M446 WeakPolarHBondContact O-CB 3.38Å; S442-M446 PolarHBondContact O-N 3.37Å; S442-M446 VanDerWaalsContact O-N 3.11Å
443	Q	32.8	Very low	34.4	Very low	36 Å²	36	104.1 Å²	104.1	17%	0.168	50%	0.495	C	S	.	.	H	α-helix	trans	-61.6	-46.8	168.4	-86.4	-164.6	-47.6	0	0	111.6	F439 Y440 H445 M446 M447	F439-Q443 HydrophobicContact CD1-CG 4.21Å; F439-Q443 HydrophobicContact CE1-CG 3.92Å; F439-Q443 HydrophobicContact CE2-CG 4.46Å; F439-Q443 HydrophobicContact CZ-CG 4.06Å; F439-Q443 VanDerWaalsContact O-CB 3.25Å; F439-Q443 WeakPolarHBondContact O-CB 3.44Å; F439-Q443 WeakPolarHBondContact O-CG 3.39Å; F439-Q443 PolarHBondContact O-N 2.84Å; Y440-Q443 PolarHBondContact O-N 3.31Å; Q443-H445 PolarHBondContact O-N 2.81Å; Q443-M446 PolarHBondContact O-N 3.12Å; Q443-M446 VanDerWaalsContact O-N 3.15Å; Q443-M447 WeakPolarHBondContact O-CB 3.34Å; Q443-M447 VanDerWaalsContact O-CG 3.22Å; Q443-M447 WeakPolarHBondContact O-CG 3.25Å; Q443-M447 PolarHBondContact O-N 3Å
444	S	36	Very low	34.2	Very low	75 Å²	75	99 Å²	99	52%	0.524	48%	0.477	S	S	.	.	H	α-helix	trans	-56	-50.1	-179.8	-66.8	0	0	0	0	111.8	Y440 M446 M447 E448	Y440-S444 PolarHBondContact O-N 3.12Å; Y440-S444 PolarHBondContact O-OG 3.31Å; S444-M446 PolarHBondContact O-N 2.93Å; S444-M447 PolarHBondContact O-N 3.31Å; S444-E448 PolarHBondContact O-N 2.91Å
445	H	37	Very low	34	Very low	136 Å²	136	96.4 Å²	96.4	63%	0.63	47%	0.47	S	S	*	.	H	α-helix	trans	-60	-41.8	175.7	-93	-68.5	0	0	0	113.3	S441 Q443 M447 E448 Y449	S441-H445 PolarHBondContact O-N 3.24Å; Q443-H445 PolarHBondContact O-N 2.81Å; H445-M447 VanDerWaalsContact C-N 3.34Å; H445-E448 PolarHBondContact O-N 3.31Å; H445-Y449 PolarHBondContact O-N 3.24Å; H445-Y449 VanDerWaalsContact O-N 3.12Å
446	M	37.2	Very low	33.8	Very low	38 Å²	38	96.8 Å²	96.8	19%	0.187	48%	0.476	C	S	.	.	H	α-helix	trans	-66.6	-37.8	178	-163.1	-164.1	-54.5	0	0	111.8	Y422 S442 Q443 S444 Y449 L450	Y422-M446 HydrophobicContact CD1-CE 3.76Å; Y422-M446 HydrophobicContact CD2-CE 3.65Å; Y422-M446 HydrophobicContact CE1-CE 3.62Å; Y422-M446 HydrophobicContact CE2-CE 3.5Å; Y422-M446 VanDerWaalsContact CE2-CE 3.5Å; Y422-M446 HydrophobicContact CG-CE 3.78Å; Y422-M446 VanDerWaalsContact CZ-CE 3.48Å; S442-M446 WeakPolarHBondContact O-CB 3.38Å; S442-M446 PolarHBondContact O-N 3.37Å; S442-M446 VanDerWaalsContact O-N 3.11Å; Q443-M446 PolarHBondContact O-N 3.12Å; Q443-M446 VanDerWaalsContact O-N 3.15Å; S444-M446 PolarHBondContact O-N 2.93Å; M446-Y449 PolarHBondContact O-N 2.79Å; M446-L450 HydrophobicContact CG-CD1 4.23Å; M446-L450 WeakPolarHBondContact O-CB 3.42Å; M446-L450 PolarHBondContact O-N 2.88Å
447	M	38.3	Very low	33.8	Very low	44 Å²	44	96.5 Å²	96.5	22%	0.217	48%	0.475	C	S	.	.	H	α-helix	trans	-71.6	-34.3	179	-70.3	-65.3	-72.8	0	0	112.2	Q443 S444 H445 K451 S542	Q443-M447 WeakPolarHBondContact O-CB 3.34Å; Q443-M447 VanDerWaalsContact O-CG 3.22Å; Q443-M447 WeakPolarHBondContact O-CG 3.25Å; Q443-M447 PolarHBondContact O-N 3Å; S444-M447 PolarHBondContact O-N 3.31Å; H445-M447 VanDerWaalsContact C-N 3.34Å; M447-K451 WeakPolarHBondContact O-CB 3.39Å; M447-K451 VanDerWaalsContact O-CG 3.27Å; M447-K451 WeakPolarHBondContact O-CG 3.44Å; M447-K451 PolarHBondContact O-N 3.29Å; M447-S542 WeakPolarHBondContact CE-O 3.4Å
448	E	40.3	Very low	33.8	Very low	121 Å²	121	94.2 Å²	94.2	57%	0.565	47%	0.474	S	S	*	.	H	α-helix	trans	-64.3	-45.5	169.3	-70.6	-151.5	141.5	0	0	112.1	S444 H445 L450 K451 L452	S444-E448 PolarHBondContact O-N 2.91Å; H445-E448 PolarHBondContact O-N 3.31Å; E448-L450 VanDerWaalsContact C-N 3.28Å; E448-L450 PolarHBondContact O-N 2.94Å; E448-K451 PolarHBondContact O-N 3.42Å; E448-L452 PolarHBondContact O-N 2.9Å
449	Y	38.5	Very low	33.7	Very low	150 Å²	150	93.6 Å²	93.6	59%	0.588	47%	0.467	S	S	*	.	H	α-helix	trans	-61.5	-38.6	177.4	-138.7	-87.3	0	0	0	111.9	L415 H445 M446 Y453	L415-Y449 HydrophobicContact CD1-CD1 4.48Å; H445-Y449 PolarHBondContact O-N 3.24Å; H445-Y449 VanDerWaalsContact O-N 3.12Å; M446-Y449 PolarHBondContact O-N 2.79Å; Y449-Y453 PolarHBondContact O-N 3.07Å; Y449-Y453 VanDerWaalsContact O-N 3.16Å
450	L	35.8	Very low	33.8	Very low	41 Å²	41	98.1 Å²	98.1	22%	0.215	49%	0.491	C	S	.	.	H	α-helix	trans	-69.1	-41.6	173.4	-83.2	159.5	0	0	0	112.7	M446 E448 Y453 I454	M446-L450 HydrophobicContact CG-CD1 4.23Å; M446-L450 WeakPolarHBondContact O-CB 3.42Å; M446-L450 PolarHBondContact O-N 2.88Å; E448-L450 VanDerWaalsContact C-N 3.28Å; E448-L450 PolarHBondContact O-N 2.94Å; L450-Y453 PolarHBondContact O-N 2.88Å; L450-I454 HydrophobicContact CB-CD1 4.4Å; L450-I454 WeakPolarHBondContact O-CB 3.28Å; L450-I454 WeakPolarHBondContact O-CD1 3.39Å; L450-I454 WeakPolarHBondContact O-CG1 3.31Å; L450-I454 PolarHBondContact O-N 3.29Å
451	K	36.1	Very low	33.7	Very low	149 Å²	149	95.2 Å²	95.2	65%	0.648	49%	0.485	S	S	*	.	H	α-helix	trans	-58.7	-47.4	174.3	-80.4	174.5	177.1	-176.2	0	111.3	M447 E448 Y453 I454 S455	M447-K451 WeakPolarHBondContact O-CB 3.39Å; M447-K451 VanDerWaalsContact O-CG 3.27Å; M447-K451 WeakPolarHBondContact O-CG 3.44Å; M447-K451 PolarHBondContact O-N 3.29Å; E448-K451 PolarHBondContact O-N 3.42Å; K451-Y453 VanDerWaalsContact C-N 3.29Å; K451-Y453 PolarHBondContact O-N 2.89Å; K451-I454 PolarHBondContact O-N 3.14Å; K451-S455 PolarHBondContact O-N 3.29Å; K451-S455 VanDerWaalsContact O-N 3.15Å
452	L	35.3	Very low	33.5	Very low	120 Å²	120	97.4 Å²	97.4	63%	0.628	50%	0.496	S	S	*	.	H	α-helix	trans	-55.9	-44	175.6	-83.5	163.1	0	0	0	111.4	E448 S455 V456	E448-L452 PolarHBondContact O-N 2.9Å; L452-S455 PolarHBondContact O-OG 3.29Å; L452-V456 WeakPolarHBondContact O-CG2 3.41Å
453	Y	30.9	Very low	33.3	Very low	108 Å²	108	104.9 Å²	104.9	42%	0.424	52%	0.518	S	S	.	.	H	α-helix	trans	-74.8	-35.4	-178.9	-144.3	-90.2	0	0	0	113.8	Y449 L450 K451 S455	Y449-Y453 PolarHBondContact O-N 3.07Å; Y449-Y453 VanDerWaalsContact O-N 3.16Å; L450-Y453 PolarHBondContact O-N 2.88Å; K451-Y453 VanDerWaalsContact C-N 3.29Å; K451-Y453 PolarHBondContact O-N 2.89Å; Y453-S455 VanDerWaalsContact C-N 3.33Å; Y453-S455 PolarHBondContact O-N 2.98Å
454	I	32.9	Very low	33	Very low	89 Å²	89	108.8 Å²	108.8	46%	0.456	55%	0.55	S	S	.	.	H	α-helix	trans	-71.8	-27.4	-179.4	-70.3	164.7	0	0	0	111.7	L450 K451 V456	L450-I454 HydrophobicContact CB-CD1 4.4Å; L450-I454 WeakPolarHBondContact O-CB 3.28Å; L450-I454 WeakPolarHBondContact O-CD1 3.39Å; L450-I454 WeakPolarHBondContact O-CG1 3.31Å; L450-I454 PolarHBondContact O-N 3.29Å; K451-I454 PolarHBondContact O-N 3.14Å; I454-V456 PolarHBondContact O-N 2.97Å
455	S	31.4	Very low	32.6	Very low	89 Å²	89	109.9 Å²	109.9	62%	0.622	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-12.5	178.9	71.7	0	0	0	0	115	K451 L452 Y453	K451-S455 PolarHBondContact O-N 3.29Å; K451-S455 VanDerWaalsContact O-N 3.15Å; L452-S455 PolarHBondContact O-OG 3.29Å; Y453-S455 VanDerWaalsContact C-N 3.33Å; Y453-S455 PolarHBondContact O-N 2.98Å
456	V	31.2	Very low	32.2	Very low	82 Å²	82	114.2 Å²	114.2	50%	0.497	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.9	-24.6	-166.2	-165.1	0	0	0	0	114.1	L452 I454	L452-V456 WeakPolarHBondContact O-CG2 3.41Å; I454-V456 PolarHBondContact O-N 2.97Å
457	Y	28.4	Very low	31.9	Very low	170 Å²	170	118.5 Å²	118.5	67%	0.667	60%	0.6	S	S	*	*			trans	-145.7	86.9	-172.4	-71.3	-73.7	0	0	0	116.4	Q459	Y457-Q459 PolarHBondContact O-N 2.66Å
458	P	30.3	Very low	31.9	Very low	108 Å²	108	118.1 Å²	118.1	70%	0.701	60%	0.601	S	S	*	*			trans	-81.4	104	163.1	31.5	-30.4	0	0	0	111
459	Q	30.6	Very low	31.8	Very low	108 Å²	108	121 Å²	121	51%	0.505	61%	0.606	S	S	.	*			trans	-106.8	123.8	169.6	-70.6	-173.7	-2.7	0	0	111.1	Y457 K472	Y457-Q459 PolarHBondContact O-N 2.66Å; Q459-K472 WeakPolarHBondContact O-CB 3.43Å
460	I	30	Very low	32	Very low	133 Å²	133	115.1 Å²	115.1	68%	0.682	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.3	119	179.3	-59.8	174.9	0	0	0	109.4	T462	I460-T462 HydrophobicContact CG2-CG2 4.31Å
461	L	30	Very low	32.5	Very low	86 Å²	86	116.5 Å²	116.5	45%	0.45	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.7	106.6	171.7	-80.8	166.7	0	0	0	110	K472	L461-K472 HydrophobicContact CD1-CB 4.31Å; L461-K472 HydrophobicContact CD1-CD 4Å; L461-K472 HydrophobicContact CD1-CG 4.34Å
462	T	27.5	Very low	33.4	Very low	117 Å²	117	111.7 Å²	111.7	72%	0.718	57%	0.568	S	S	*	*			trans	-92.2	115.7	169	43.6	0	0	0	0	110.7	I460	I460-T462 HydrophobicContact CG2-CG2 4.31Å
463	Y	29.9	Very low	34.2	Very low	202 Å²	202	108.9 Å²	108.9	79%	0.792	55%	0.553	S	S	*	*			trans	-114.9	130.6	172.3	-139.2	-85.9	0	0	0	110.5	S465	Y463-S465 PolarHBondContact O-N 3Å
464	S	26.6	Very low	35.1	Very low	118 Å²	118	106.2 Å²	106.2	83%	0.825	55%	0.545	S	S	*	.	S	Bend	trans	-86.1	101.9	-176.5	-171.3	0	0	0	0	111.9
465	S	26.8	Very low	35.9	Very low	98 Å²	98	106.7 Å²	106.7	69%	0.685	55%	0.546	S	S	*	.	S	Bend	trans	178.5	113.6	138.5	38.2	0	0	0	0	109.1	Y463	Y463-S465 PolarHBondContact O-N 3Å
466	R	28.4	Very low	36.5	Very low	228 Å²	228	107 Å²	107	86%	0.86	54%	0.539	S	S	*	.	S	Bend	trans	66.3	69.8	-179.2	-51.9	179.5	-179.8	179.4	0.3	116	V468	R466-V468 PolarHBondContact O-N 2.62Å; R466-V468 VanDerWaalsContact O-N 3.11Å
467	C	30.4	Very low	37.5	Very low	127 Å²	127	105.8 Å²	105.8	86%	0.858	54%	0.543	S	S	*	.	S	Bend	trans	35.4	62.5	148.9	-59.1	0	0	0	0	117.7
468	V	38.4	Very low	38.3	Very low	37 Å²	37	102 Å²	102	22%	0.224	53%	0.534	C	S	.	.			trans	-130.5	116.6	160.8	-175.1	0	0	0	0	107.9	R466 F470 T484	R466-V468 PolarHBondContact O-N 2.62Å; R466-V468 VanDerWaalsContact O-N 3.11Å; V468-F470 HydrophobicContact CB-CD2 4.39Å; V468-F470 HydrophobicContact CB-CE2 3.69Å; V468-F470 HydrophobicContact CB-CZ 4.04Å; V468-F470 HydrophobicContact CG1-CD2 4.04Å; V468-F470 HydrophobicContact CG1-CE1 4.05Å; V468-F470 HydrophobicContact CG1-CE2 3.5Å; V468-F470 HydrophobicContact CG1-CZ 3.51Å; V468-F470 WeakPolarHBondContact O-CD2 3.36Å; V468-T484 HydrophobicContact CG1-CG2 3.78Å
469	R	39.4	Very low	38.8	Very low	181 Å²	181	99.4 Å²	99.4	68%	0.683	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	137.7	168.7	-71.7	-175.9	-179.8	-174.1	-1	108.5	T484 L485	R469-T484 CarbonylContact O-C 3.56Å; R469-L485 HydrophobicContact CB-CB 3.86Å; R469-L485 PolarHBondContact O-N 3.27Å
470	F	42.1	Very low	39.7	Very low	27 Å²	27	96 Å²	96	12%	0.118	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.2	175.1	-67	-91	0	0	0	109.8	V468 A482 K483 T484 K501	V468-F470 HydrophobicContact CB-CD2 4.39Å; V468-F470 HydrophobicContact CB-CE2 3.69Å; V468-F470 HydrophobicContact CB-CZ 4.04Å; V468-F470 HydrophobicContact CG1-CD2 4.04Å; V468-F470 HydrophobicContact CG1-CE1 4.05Å; V468-F470 HydrophobicContact CG1-CE2 3.5Å; V468-F470 HydrophobicContact CG1-CZ 3.51Å; V468-F470 WeakPolarHBondContact O-CD2 3.36Å; F470-A482 HydrophobicContact CB-CB 4.17Å; F470-A482 HydrophobicContact CD1-CB 4.08Å; F470-K483 CarbonylContact C-O 3.58Å; F470-K483 VanDerWaalsContact CA-O 3.32Å; F470-K483 WeakPolarHBondContact CA-O 3.43Å; F470-T484 HydrophobicContact CD1-CG2 3.88Å; F470-T484 HydrophobicContact CE1-CG2 3.47Å; F470-T484 VanDerWaalsContact CE1-CG2 3.47Å; F470-T484 HydrophobicContact CZ-CG2 4.19Å; F470-K501 HydrophobicContact CE1-CB 4.04Å; F470-K501 HydrophobicContact CE1-CD 3.96Å; F470-K501 HydrophobicContact CZ-CD 3.98Å
471	E	46.6	Very low	40.8	Very low	70 Å²	70	90.5 Å²	90.5	33%	0.327	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114.3	169.7	167.7	172.9	-118.7	0	0	106.9	I473 A482 K483 L485	E471-I473 PolarHBondContact O-N 3.48Å; E471-A482 CarbonylContact O-C 3.54Å; E471-A482 WeakPolarHBondContact O-CA 3.41Å; E471-K483 HydrophobicContact CB-CB 4.34Å; E471-K483 PolarHBondContact N-O 3.09Å; E471-K483 PolarHBondContact O-N 3.25Å; E471-K483 WeakPolarHBondContact OE2-CD 3.15Å; E471-K483 IonicContact OE2-NZ 3.63Å; E471-K483 PolarHBondContact OE2-NZ 3.1Å; E471-L485 HydrophobicContact CB-CD1 3.46Å; E471-L485 VanDerWaalsContact CB-CD1 3.46Å; E471-L485 HydrophobicContact CG-CD1 4.44Å
472	K	53.7	Low	41.7	Very low	48 Å²	48	86.6 Å²	86.6	21%	0.209	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	119.4	178.9	-172.4	-174.2	-175	-177.7	0	107.8	Q459 L461 I480	Q459-K472 WeakPolarHBondContact O-CB 3.43Å; L461-K472 HydrophobicContact CD1-CB 4.31Å; L461-K472 HydrophobicContact CD1-CD 4Å; L461-K472 HydrophobicContact CD1-CG 4.34Å; K472-I480 HydrophobicContact CD-CG2 4.41Å; K472-I480 HydrophobicContact CG-CG2 3.9Å
473	I	52.8	Low	42.7	Very low	61 Å²	61	84.6 Å²	84.6	31%	0.313	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-45.6	176.5	-61.5	-161.5	0	0	0	110.5	E471 L481 K483 W500	E471-I473 PolarHBondContact O-N 3.48Å; I473-L481 HydrophobicContact CB-CD2 4.12Å; I473-L481 HydrophobicContact CB-CG 4.22Å; I473-L481 HydrophobicContact CG2-CD2 4.05Å; I473-L481 PolarHBondContact N-O 2.97Å; I473-K483 HydrophobicContact CD1-CB 4.11Å; I473-K483 HydrophobicContact CD1-CD 4.31Å; I473-K483 HydrophobicContact CG1-CB 4.27Å; I473-W500 HydrophobicContact CD1-CH2 3.69Å; I473-W500 HydrophobicContact CD1-CZ3 3.47Å; I473-W500 VanDerWaalsContact CD1-CZ3 3.47Å; I473-W500 HydrophobicContact CG1-CZ3 4.36Å
474	M	50.3	Low	43.5	Very low	51 Å²	51	76.5 Å²	76.5	25%	0.251	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	154.8	-172.3	-170.9	171.8	61.9	0	0	110.9	I476 L481	M474-I476 HydrophobicContact CE-CD1 3.55Å; M474-I476 HydrophobicContact CE-CG1 4.04Å; M474-I476 HydrophobicContact CG-CG1 4.13Å; M474-I476 HydrophobicContact SD-CD1 3.85Å; M474-I476 HydrophobicContact SD-CG1 4.06Å; M474-L481 HydrophobicContact CB-CB 4.25Å; M474-L481 HydrophobicContact CB-CD2 4.47Å; M474-L481 HydrophobicContact CE-CD2 4.42Å; M474-L481 PolarHBondContact N-O 3.07Å; M474-L481 PolarHBondContact O-N 3.44Å
475	Q	49.1	Very low	44.4	Very low	100 Å²	100	75.4 Å²	75.4	47%	0.467	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.3	165.2	179	175.4	-9.2	0	0	109.8	G477 V479 I480	Q475-G477 WeakPolarHBondContact CG-O 3.49Å; Q475-G477 PolarHBondContact NE2-O 2.95Å; Q475-V479 CarbonylContact C-O 3.59Å; Q475-V479 VanDerWaalsContact CA-O 3.24Å; Q475-V479 WeakPolarHBondContact CA-O 3.48Å; Q475-I480 HydrophobicContact CB-CG1 4.49Å; Q475-I480 HydrophobicContact CG-CG1 4.1Å
476	I	43.6	Very low	45.1	Very low	95 Å²	95	77.1 Å²	77.1	49%	0.487	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	104.3	173.7	-60.4	-178.9	0	0	0	107.3	M474 N478 V479	M474-I476 HydrophobicContact CE-CD1 3.55Å; M474-I476 HydrophobicContact CE-CG1 4.04Å; M474-I476 HydrophobicContact CG-CG1 4.13Å; M474-I476 HydrophobicContact SD-CD1 3.85Å; M474-I476 HydrophobicContact SD-CG1 4.06Å; I476-N478 PolarHBondContact O-N 3.42Å; I476-V479 PolarHBondContact N-O 2.65Å; I476-V479 WeakPolarHBondContact O-CB 3.28Å; I476-V479 PolarHBondContact O-N 3.47Å
477	G	52.6	Low	45.5	Very low	57 Å²	57	77.6 Å²	77.6	59%	0.588	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	-121.1	-171.5	0	0	0	0	0	111.6	Q475 V479	Q475-G477 WeakPolarHBondContact CG-O 3.49Å; Q475-G477 PolarHBondContact NE2-O 2.95Å; G477-V479 VanDerWaalsContact C-N 3.29Å; G477-V479 PolarHBondContact O-N 3.34Å
478	N	45.8	Very low	45.7	Very low	89 Å²	89	81.6 Å²	81.6	48%	0.476	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-7	178	-67.1	1.9	0	0	0	113.7	I476 A505	I476-N478 PolarHBondContact O-N 3.42Å; N478-A505 HydrophobicContact CB-CB 3.87Å; N478-A505 PolarHBondContact O-N 3.13Å
479	V	40.9	Very low	45.3	Very low	54 Å²	54	84.9 Å²	84.9	33%	0.327	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114.6	-173.3	-173.5	0	0	0	0	110.5	Q475 I476 G477 V502 Y503	Q475-V479 CarbonylContact C-O 3.59Å; Q475-V479 VanDerWaalsContact CA-O 3.24Å; Q475-V479 WeakPolarHBondContact CA-O 3.48Å; I476-V479 PolarHBondContact N-O 2.65Å; I476-V479 WeakPolarHBondContact O-CB 3.28Å; I476-V479 PolarHBondContact O-N 3.47Å; G477-V479 VanDerWaalsContact C-N 3.29Å; G477-V479 PolarHBondContact O-N 3.34Å; V479-V502 HydrophobicContact CG1-CG1 3.49Å; V479-V502 VanDerWaalsContact CG1-CG1 3.49Å; V479-Y503 CarbonylContact C-O 3.51Å; V479-Y503 VanDerWaalsContact CA-O 3.23Å; V479-Y503 WeakPolarHBondContact CA-O 3.42Å
480	I	48.3	Very low	44.9	Very low	36 Å²	36	81.5 Å²	81.5	19%	0.185	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.3	172.9	-52.1	174.2	0	0	0	109.9	K472 Q475 V502 Y503	K472-I480 HydrophobicContact CD-CG2 4.41Å; K472-I480 HydrophobicContact CG-CG2 3.9Å; Q475-I480 HydrophobicContact CB-CG1 4.49Å; Q475-I480 HydrophobicContact CG-CG1 4.1Å; I480-V502 WeakPolarHBondContact O-CA 3.46Å; I480-Y503 PolarHBondContact N-O 2.87Å; I480-Y503 PolarHBondContact O-N 2.98Å; I480-Y503 VanDerWaalsContact O-N 3.1Å
481	L	53.1	Low	44.4	Very low	19 Å²	19	85.6 Å²	85.6	10%	0.099	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.9	167.8	-180	65.7	0	0	0	109.2	I473 M474 W500 V502 L540	I473-L481 HydrophobicContact CB-CD2 4.12Å; I473-L481 HydrophobicContact CB-CG 4.22Å; I473-L481 HydrophobicContact CG2-CD2 4.05Å; I473-L481 PolarHBondContact N-O 2.97Å; M474-L481 HydrophobicContact CB-CB 4.25Å; M474-L481 HydrophobicContact CB-CD2 4.47Å; M474-L481 HydrophobicContact CE-CD2 4.42Å; M474-L481 PolarHBondContact N-O 3.07Å; M474-L481 PolarHBondContact O-N 3.44Å; L481-W500 HydrophobicContact CD1-CE3 4.08Å; L481-V502 HydrophobicContact CD1-CG2 4.45Å; L481-L540 HydrophobicContact CD1-CD2 3.93Å; L481-L540 HydrophobicContact CD2-CD2 3.78Å
482	A	50.4	Low	43.7	Very low	3 Å²	3	88 Å²	88	3%	0.025	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.1	178.1	0	0	0	0	0	113	F470 E471	F470-A482 HydrophobicContact CB-CB 4.17Å; F470-A482 HydrophobicContact CD1-CB 4.08Å; E471-A482 CarbonylContact O-C 3.54Å; E471-A482 WeakPolarHBondContact O-CA 3.41Å
483	K	48	Very low	42.6	Very low	75 Å²	75	90.6 Å²	90.6	33%	0.326	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.8	177.6	-176.1	174.8	162.1	-155.2	0	110.3	F470 E471 I473 L485 W500	F470-K483 CarbonylContact C-O 3.58Å; F470-K483 VanDerWaalsContact CA-O 3.32Å; F470-K483 WeakPolarHBondContact CA-O 3.43Å; E471-K483 HydrophobicContact CB-CB 4.34Å; E471-K483 PolarHBondContact N-O 3.09Å; E471-K483 PolarHBondContact O-N 3.25Å; E471-K483 WeakPolarHBondContact OE2-CD 3.15Å; E471-K483 IonicContact OE2-NZ 3.63Å; E471-K483 PolarHBondContact OE2-NZ 3.1Å; I473-K483 HydrophobicContact CD1-CB 4.11Å; I473-K483 HydrophobicContact CD1-CD 4.31Å; I473-K483 HydrophobicContact CG1-CB 4.27Å; K483-L485 PolarHBondContact O-N 2.89Å; K483-W500 HydrophobicContact CB-CE3 4.3Å; K483-W500 HydrophobicContact CB-CH2 3.72Å; K483-W500 HydrophobicContact CB-CZ3 3.44Å; K483-W500 VanDerWaalsContact CB-CZ3 3.44Å; K483-W500 HydrophobicContact CD-CH2 3.81Å; K483-W500 HydrophobicContact CD-CZ3 4.37Å; K483-W500 HydrophobicContact CG-CH2 3.61Å; K483-W500 HydrophobicContact CG-CZ2 4.34Å; K483-W500 HydrophobicContact CG-CZ3 3.88Å
484	T	46.9	Very low	41.6	Very low	33 Å²	33	100.4 Å²	100.4	20%	0.202	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	116	174.9	56.1	0	0	0	0	111.8	V468 R469 F470 R486 C499	V468-T484 HydrophobicContact CG1-CG2 3.78Å; R469-T484 CarbonylContact O-C 3.56Å; F470-T484 HydrophobicContact CD1-CG2 3.88Å; F470-T484 HydrophobicContact CE1-CG2 3.47Å; F470-T484 VanDerWaalsContact CE1-CG2 3.47Å; F470-T484 HydrophobicContact CZ-CG2 4.19Å; T484-R486 PolarHBondContact O-N 2.87Å; T484-R486 VanDerWaalsContact O-N 3.17Å; T484-C499 PolarHBondContact OG1-O 3.16Å
485	L	44.5	Very low	40.5	Very low	94 Å²	94	100.1 Å²	100.1	49%	0.492	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	85.2	160.3	-85.5	111.2	0	0	0	109.6	R469 E471 K483	R469-L485 HydrophobicContact CB-CB 3.86Å; R469-L485 PolarHBondContact O-N 3.27Å; E471-L485 HydrophobicContact CB-CD1 3.46Å; E471-L485 VanDerWaalsContact CB-CD1 3.46Å; E471-L485 HydrophobicContact CG-CD1 4.44Å; K483-L485 PolarHBondContact O-N 2.89Å
486	R	41	Very low	39.5	Very low	135 Å²	135	98.8 Å²	98.8	51%	0.509	51%	0.514	S	S	.	.			trans	-99.9	124.8	157.6	-84.6	-164.6	172.3	-175.7	2.1	110.3	T484	T484-R486 PolarHBondContact O-N 2.87Å; T484-R486 VanDerWaalsContact O-N 3.17Å
487	R	38	Very low	39	Very low	238 Å²	238	95.5 Å²	95.5	90%	0.898	50%	0.503	S	S	*	.			trans	-59.9	141.1	160.4	-141.5	177.1	-170.1	-172.5	2.1	107.2	D489	R487-D489 PolarHBondContact O-N 3.47Å
488	K	34	Very low	38.3	Very low	211 Å²	211	100.1 Å²	100.1	92%	0.917	50%	0.504	S	S	*	.			trans	-49.6	107.4	-176.3	-71.6	179.1	176.5	178.5	0	111.5
489	D	29.7	Very low	38.1	Very low	106 Å²	106	97.2 Å²	97.2	57%	0.567	49%	0.491	S	S	*	.			trans	-118.7	96.2	165	-159.8	-24.1	0	0	0	107.3	R487 T491	R487-D489 PolarHBondContact O-N 3.47Å; D489-T491 PolarHBondContact O-N 3.29Å; D489-T491 VanDerWaalsContact O-N 3.1Å; D489-T491 PolarHBondContact OD1-OG1 3.45Å
490	P	31.4	Very low	38.1	Very low	110 Å²	110	96 Å²	96	71%	0.714	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	3.4	-164.3	30.9	-36.1	0	0	0	113.9
491	T	31.5	Very low	37.8	Very low	112 Å²	112	95.6 Å²	95.6	69%	0.687	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-21.7	-168.2	53.6	0	0	0	0	114.6	D489	D489-T491 PolarHBondContact O-N 3.29Å; D489-T491 VanDerWaalsContact O-N 3.1Å; D489-T491 PolarHBondContact OD1-OG1 3.45Å
492	L	31.6	Very low	37.2	Very low	122 Å²	122	95.4 Å²	95.4	64%	0.639	48%	0.477	S	S	*	.	S	Bend	trans	-103.3	-15.8	-176	-75.3	170.5	0	0	0	115.3
493	F	31.8	Very low	36.7	Very low	101 Å²	101	98.8 Å²	98.8	44%	0.443	49%	0.489	S	S	.	.			trans	-131.3	93.8	-178.9	-71	-80.5	0	0	0	111.4	G495 G496 H513	F493-G495 PolarHBondContact O-N 3.05Å; F493-G496 PolarHBondContact O-N 2.88Å; F493-H513 AromaticContact CD1-CD2 3.93Å; F493-H513 AromaticContact CD1-NE2 3.45Å; F493-H513 WeakPolarHBondContact CD1-NE2 3.23Å; F493-H513 AromaticContact CE1-CD2 3.75Å; F493-H513 AromaticContact CE1-NE2 3.76Å
494	R	30.2	Very low	36.3	Very low	268 Å²	268	97.8 Å²	97.8	100%	1.011	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	60.6	174	-154.5	-176.9	-156.7	-145.6	6.6	110.7
495	G	29.1	Very low	36	Very low	45 Å²	45	99.8 Å²	99.8	46%	0.464	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	176.8	-6.8	-172.7	0	0	0	0	0	117	F493	F493-G495 PolarHBondContact O-N 3.05Å
496	G	28.2	Very low	35.9	Very low	71 Å²	71	101.8 Å²	101.8	73%	0.732	52%	0.519	S	S	*	.			trans	60.4	50.5	169.5	0	0	0	0	0	115.4	F493	F493-G496 PolarHBondContact O-N 2.88Å
497	G	31.5	Very low	35.9	Very low	26 Å²	26	98.1 Å²	98.1	27%	0.268	51%	0.514	S	S	.	.			trans	-107.5	152.5	-177.8	0	0	0	0	0	115	Y514	G497-Y514 WeakPolarHBondContact CA-O 3.27Å
498	Y	39.1	Very low	36	Very low	154 Å²	154	96 Å²	96	60%	0.604	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	141.9	166	-66.3	-83.9	0	0	0	110	Y514	Y498-Y514 PolarHBondContact O-N 3.36Å
499	C	40.6	Very low	36.2	Very low	29 Å²	29	91 Å²	91	20%	0.196	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.3	173.9	-173.5	0	0	0	0	109.9	T484 F512	T484-C499 PolarHBondContact OG1-O 3.16Å; C499-F512 VanDerWaalsContact CA-O 3.32Å; C499-F512 WeakPolarHBondContact CA-O 3.41Å; C499-F512 PolarHBondContact SG-O 3.05Å
500	W	41.1	Very low	36.7	Very low	29 Å²	29	88.5 Å²	88.5	11%	0.11	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.4	173	-59.5	92.5	0	0	0	109.4	I473 L481 K483 F512 F544	I473-W500 HydrophobicContact CD1-CH2 3.69Å; I473-W500 HydrophobicContact CD1-CZ3 3.47Å; I473-W500 VanDerWaalsContact CD1-CZ3 3.47Å; I473-W500 HydrophobicContact CG1-CZ3 4.36Å; L481-W500 HydrophobicContact CD1-CE3 4.08Å; K483-W500 HydrophobicContact CB-CE3 4.3Å; K483-W500 HydrophobicContact CB-CH2 3.72Å; K483-W500 HydrophobicContact CB-CZ3 3.44Å; K483-W500 VanDerWaalsContact CB-CZ3 3.44Å; K483-W500 HydrophobicContact CD-CH2 3.81Å; K483-W500 HydrophobicContact CD-CZ3 4.37Å; K483-W500 HydrophobicContact CG-CH2 3.61Å; K483-W500 HydrophobicContact CG-CZ2 4.34Å; K483-W500 HydrophobicContact CG-CZ3 3.88Å; W500-F512 HydrophobicContact CB-CB 3.97Å; W500-F512 HydrophobicContact CB-CD2 4.36Å; W500-F512 HydrophobicContact CB-CG 4.43Å; W500-F512 PolarHBondContact N-O 3.2Å; W500-F512 WeakPolarHBondContact O-CD2 3.43Å; W500-F512 PolarHBondContact O-N 3.5Å; W500-F512 VanDerWaalsContact O-N 3.12Å; W500-F544 AromaticContact CE2-CZ 3.6Å; W500-F544 HydrophobicContact CH2-CE1 4.32Å; W500-F544 AromaticContact CH2-CZ 3.89Å; W500-F544 HydrophobicContact CH2-CZ 3.89Å; W500-F544 AromaticContact CZ2-CE1 3.65Å; W500-F544 HydrophobicContact CZ2-CE1 3.65Å; W500-F544 HydrophobicContact CZ2-CE2 4.3Å; W500-F544 AromaticContact CZ2-CZ 3.21Å; W500-F544 HydrophobicContact CZ2-CZ 3.21Å; W500-F544 AromaticContact NE1-CZ 3.82Å
501	K	41.5	Very low	37	Very low	27 Å²	27	91.6 Å²	91.6	12%	0.117	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.1	177	-169.1	175.2	176.1	-167.7	0	108.4	F470 Y503 H509	F470-K501 HydrophobicContact CE1-CB 4.04Å; F470-K501 HydrophobicContact CE1-CD 3.96Å; F470-K501 HydrophobicContact CZ-CD 3.98Å; K501-Y503 HydrophobicContact CB-CE2 4.18Å; K501-Y503 HydrophobicContact CD-CD2 4.42Å; K501-Y503 HydrophobicContact CD-CE1 4.39Å; K501-Y503 HydrophobicContact CD-CE2 3.58Å; K501-Y503 VanDerWaalsContact CE-CZ 3.43Å; K501-Y503 HydrophobicContact CG-CD2 4.13Å; K501-Y503 HydrophobicContact CG-CE2 3.7Å; K501-Y503 PolarHBondContact NZ-OH 3.02Å; K501-H509 WeakPolarHBondContact CE-CD2 3.46Å; K501-H509 PolarHBondContact NZ-CD2 2.95Å; K501-H509 PolarHBondContact NZ-NE2 3.38Å; K501-H509 VanDerWaalsContact NZ-NE2 3.18Å
502	V	40.9	Very low	37.2	Very low	15 Å²	15	87 Å²	87	9%	0.091	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.4	172.9	177.9	0	0	0	0	107.4	V479 I480 L481 F512	V479-V502 HydrophobicContact CG1-CG1 3.49Å; V479-V502 VanDerWaalsContact CG1-CG1 3.49Å; I480-V502 WeakPolarHBondContact O-CA 3.46Å; L481-V502 HydrophobicContact CD1-CG2 4.45Å; V502-F512 HydrophobicContact CB-CE2 3.94Å; V502-F512 HydrophobicContact CG2-CD2 4.15Å; V502-F512 HydrophobicContact CG2-CE2 3.45Å; V502-F512 VanDerWaalsContact CG2-CE2 3.45Å; V502-F512 HydrophobicContact CG2-CZ 4.15Å
503	Y	39.6	Very low	37.3	Very low	73 Å²	73	84.7 Å²	84.7	29%	0.286	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.4	172.3	-66	-107.4	0	0	0	108.1	V479 I480 K501	V479-Y503 CarbonylContact C-O 3.51Å; V479-Y503 VanDerWaalsContact CA-O 3.23Å; V479-Y503 WeakPolarHBondContact CA-O 3.42Å; I480-Y503 PolarHBondContact N-O 2.87Å; I480-Y503 PolarHBondContact O-N 2.98Å; I480-Y503 VanDerWaalsContact O-N 3.1Å; K501-Y503 HydrophobicContact CB-CE2 4.18Å; K501-Y503 HydrophobicContact CD-CD2 4.42Å; K501-Y503 HydrophobicContact CD-CE1 4.39Å; K501-Y503 HydrophobicContact CD-CE2 3.58Å; K501-Y503 VanDerWaalsContact CE-CZ 3.43Å; K501-Y503 HydrophobicContact CG-CD2 4.13Å; K501-Y503 HydrophobicContact CG-CE2 3.7Å; K501-Y503 PolarHBondContact NZ-OH 3.02Å
504	D	40	Very low	37.3	Very low	54 Å²	54	84 Å²	84	29%	0.289	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.5	160.3	165.6	28.5	0	0	0	106.8	N506 S507	D504-N506 PolarHBondContact O-N 2.95Å; D504-N506 PolarHBondContact OD1-N 3.44Å; D504-S507 PolarHBondContact O-N 3.23Å; D504-S507 WeakPolarHBondContact OD2-CB 3.4Å; D504-S507 PolarHBondContact OD2-N 3.12Å; D504-S507 PolarHBondContact OD2-OG 3.06Å
505	A	39.7	Very low	37.4	Very low	76 Å²	76	73.6 Å²	73.6	63%	0.628	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.8	-179.7	0	0	0	0	0	113.6	N478	N478-A505 HydrophobicContact CB-CB 3.87Å; N478-A505 PolarHBondContact O-N 3.13Å
506	N	42.9	Very low	37.4	Very low	136 Å²	136	76.3 Å²	76.3	73%	0.727	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-3.7	-175.5	-65.7	-27.4	0	0	0	115	D504	D504-N506 PolarHBondContact O-N 2.95Å; D504-N506 PolarHBondContact OD1-N 3.44Å
507	S	41.7	Very low	37.4	Very low	58 Å²	58	79.8 Å²	79.8	41%	0.406	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.7	-167.5	-56.1	0	0	0	0	114.7	D504 H509	D504-S507 PolarHBondContact O-N 3.23Å; D504-S507 WeakPolarHBondContact OD2-CB 3.4Å; D504-S507 PolarHBondContact OD2-N 3.12Å; D504-S507 PolarHBondContact OD2-OG 3.06Å; S507-H509 PolarHBondContact O-N 3.02Å
508	K	39.6	Very low	37	Very low	194 Å²	194	84.6 Å²	84.6	84%	0.843	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	107.4	177.2	-71	178.9	178.7	176.1	0	111.6
509	H	37.5	Very low	36.5	Very low	104 Å²	104	80.3 Å²	80.3	48%	0.481	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	27.4	105.5	155.3	-63.3	122.4	0	0	0	118.5	K501 S507	K501-H509 WeakPolarHBondContact CE-CD2 3.46Å; K501-H509 PolarHBondContact NZ-CD2 2.95Å; K501-H509 PolarHBondContact NZ-NE2 3.38Å; K501-H509 VanDerWaalsContact NZ-NE2 3.18Å; S507-H509 PolarHBondContact O-N 3.02Å
510	Q	40.7	Very low	35.9	Very low	54 Å²	54	83.2 Å²	83.2	25%	0.252	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	139.7	159.7	-70.3	-174	-4.1	0	0	111.5	F512 F533	Q510-F512 HydrophobicContact CB-CE2 3.85Å; Q510-F512 HydrophobicContact CB-CZ 4.31Å; Q510-F533 VanDerWaalsContact OE1-CZ 3.28Å
511	W	37.2	Very low	35.4	Very low	176 Å²	176	85 Å²	85	67%	0.667	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.1	175.9	-60.6	87.2	0	0	0	109.4
512	F	36.3	Very low	34.7	Very low	14 Å²	14	92.8 Å²	92.8	6%	0.061	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.8	172.3	-60.1	-94.5	0	0	0	108.7	C499 W500 V502 Q510 L519	C499-F512 VanDerWaalsContact CA-O 3.32Å; C499-F512 WeakPolarHBondContact CA-O 3.41Å; C499-F512 PolarHBondContact SG-O 3.05Å; W500-F512 HydrophobicContact CB-CB 3.97Å; W500-F512 HydrophobicContact CB-CD2 4.36Å; W500-F512 HydrophobicContact CB-CG 4.43Å; W500-F512 PolarHBondContact N-O 3.2Å; W500-F512 WeakPolarHBondContact O-CD2 3.43Å; W500-F512 PolarHBondContact O-N 3.5Å; W500-F512 VanDerWaalsContact O-N 3.12Å; V502-F512 HydrophobicContact CB-CE2 3.94Å; V502-F512 HydrophobicContact CG2-CD2 4.15Å; V502-F512 HydrophobicContact CG2-CE2 3.45Å; V502-F512 VanDerWaalsContact CG2-CE2 3.45Å; V502-F512 HydrophobicContact CG2-CZ 4.15Å; Q510-F512 HydrophobicContact CB-CE2 3.85Å; Q510-F512 HydrophobicContact CB-CZ 4.31Å; F512-L519 HydrophobicContact CD1-CD1 4.32Å
513	H	33.3	Very low	34.2	Very low	74 Å²	74	97.7 Å²	97.7	34%	0.343	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.6	175.5	-175.3	-100.2	0	0	0	108.7	F493 T515	F493-H513 AromaticContact CD1-CD2 3.93Å; F493-H513 AromaticContact CD1-NE2 3.45Å; F493-H513 WeakPolarHBondContact CD1-NE2 3.23Å; F493-H513 AromaticContact CE1-CD2 3.75Å; F493-H513 AromaticContact CE1-NE2 3.76Å; H513-T515 VanDerWaalsContact CE1-CG2 3.41Å; H513-T515 WeakPolarHBondContact CE1-CG2 3.46Å; H513-T515 PolarHBondContact ND1-OG1 3.47Å
514	Y	32.9	Very low	33.7	Very low	86 Å²	86	98.9 Å²	98.9	34%	0.337	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	92.7	173.9	-165.7	-89.9	0	0	0	109.8	G497 Y498 M541	G497-Y514 WeakPolarHBondContact CA-O 3.27Å; Y498-Y514 PolarHBondContact O-N 3.36Å; Y514-M541 HydrophobicContact CE2-CE 4.28Å
515	T	31.2	Very low	33	Very low	50 Å²	50	107.7 Å²	107.7	31%	0.307	54%	0.535	S	S	.	.	B	Isolated β-bridge	trans	-93.4	143.4	155.7	24.4	0	0	0	0	108.1	H513 D517 M518	H513-T515 VanDerWaalsContact CE1-CG2 3.41Å; H513-T515 WeakPolarHBondContact CE1-CG2 3.46Å; H513-T515 PolarHBondContact ND1-OG1 3.47Å; T515-D517 PolarHBondContact O-N 3.39Å; T515-M518 PolarHBondContact O-N 2.92Å; T515-M518 VanDerWaalsContact O-N 3.13Å
516	T	30.1	Very low	32.5	Very low	102 Å²	102	108.8 Å²	108.8	63%	0.626	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	-15.1	-153.1	47.8	0	0	0	0	119.5
517	D	27.4	Very low	31.6	Very low	144 Å²	144	112 Å²	112	77%	0.77	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.8	9.6	-175.9	-62.7	-83.3	0	0	0	115.3	T515	T515-D517 PolarHBondContact O-N 3.39Å
518	M	24.5	Very low	31.1	Very low	128 Å²	128	113 Å²	113	63%	0.631	55%	0.548	S	S	*	.	B	Isolated β-bridge	trans	-148.6	133.6	175.3	-83.5	-151.8	-67.9	0	0	115.6	T515	T515-M518 PolarHBondContact O-N 2.92Å; T515-M518 VanDerWaalsContact O-N 3.13Å
519	L	28.1	Very low	30.5	Very low	64 Å²	64	106.5 Å²	106.5	34%	0.335	53%	0.528	S	S	.	.			trans	-96	120.1	165.4	-169.2	84.3	0	0	0	109.8	F512 V521 I537 M541	F512-L519 HydrophobicContact CD1-CD1 4.32Å; L519-V521 HydrophobicContact CD2-CG2 4.03Å; L519-V521 HydrophobicContact CG-CG2 4.32Å; L519-I537 HydrophobicContact CD2-CD1 3.89Å; L519-I537 HydrophobicContact CD2-CG1 4.04Å; L519-I537 HydrophobicContact CD2-CG2 3.81Å; L519-M541 HydrophobicContact CD1-CE 4.1Å
520	I	26.7	Very low	30.1	Very low	90 Å²	90	108.8 Å²	108.8	46%	0.462	54%	0.543	S	S	.	.			trans	-113.1	119.8	174.2	-56.9	177.9	0	0	0	108.9	Y522	I520-Y522 HydrophobicContact CG2-CD2 4.2Å; I520-Y522 HydrophobicContact CG2-CE2 3.57Å
521	V	31.8	Very low	29.7	Very low	67 Å²	67	114 Å²	114	41%	0.406	57%	0.565	S	S	.	*			trans	-107.1	124.9	179.1	-179.6	0	0	0	0	109.8	L519	L519-V521 HydrophobicContact CD2-CG2 4.03Å; L519-V521 HydrophobicContact CG-CG2 4.32Å
522	Y	27.5	Very low	29.9	Very low	189 Å²	189	111.1 Å²	111.1	74%	0.741	56%	0.559	S	S	*	*			trans	-105	120.9	169.4	-65.9	-84.2	0	0	0	109.4	I520	I520-Y522 HydrophobicContact CG2-CD2 4.2Å; I520-Y522 HydrophobicContact CG2-CE2 3.57Å
523	N	28.7	Very low	30	Very low	118 Å²	118	112.7 Å²	112.7	63%	0.631	57%	0.565	S	S	*	*			trans	-107.2	125.9	177.8	-176.2	-16.2	0	0	0	110.4	R525	N523-R525 PolarHBondContact OD1-N 3.24Å
524	S	28.9	Very low	30.4	Very low	98 Å²	98	112.3 Å²	112.3	69%	0.685	57%	0.571	S	S	*	*			trans	-111.4	85.9	165.1	64.3	0	0	0	0	111.4
525	R	26.1	Very low	31	Very low	240 Å²	240	110.5 Å²	110.5	91%	0.906	57%	0.567	S	S	*	*	S	Bend	trans	49	81.1	161	-69.4	-178.1	168.5	177.5	-4.2	117.4	N523	N523-R525 PolarHBondContact OD1-N 3.24Å
526	T	28.9	Very low	31.9	Very low	99 Å²	99	110.4 Å²	110.4	61%	0.607	56%	0.564	S	S	*	*			trans	-155.7	147.6	134.3	14.6	0	0	0	0	110	V528	T526-V528 VanDerWaalsContact C-N 3.34Å; T526-V528 PolarHBondContact O-N 3.5Å
527	Q	25.2	Very low	32.9	Very low	203 Å²	203	107.6 Å²	107.6	95%	0.949	55%	0.545	S	S	*	.			trans	-76.3	81.2	178.1	-75.8	-176.3	-20.1	0	0	110.9
528	V	29.9	Very low	33.9	Very low	78 Å²	78	104.7 Å²	104.7	47%	0.473	53%	0.529	S	S	.	.			trans	-77.4	132.7	150.5	-173.5	0	0	0	0	106.8	T526 L530 F533	T526-V528 VanDerWaalsContact C-N 3.34Å; T526-V528 PolarHBondContact O-N 3.5Å; V528-L530 PolarHBondContact O-N 2.81Å; V528-F533 HydrophobicContact CB-CD2 3.91Å; V528-F533 HydrophobicContact CB-CE2 4.04Å; V528-F533 HydrophobicContact CG1-CD2 3.65Å; V528-F533 HydrophobicContact CG1-CE2 3.97Å; V528-F533 HydrophobicContact CG2-CE2 4.23Å
529	S	28.2	Very low	35.1	Very low	59 Å²	59	101.6 Å²	101.6	41%	0.413	52%	0.515	S	S	.	.			trans	-57.2	129.6	-178.1	73	0	0	0	0	110.3	F531 Q532 F533	S529-F531 PolarHBondContact O-N 3.17Å; S529-Q532 PolarHBondContact O-N 2.84Å; S529-Q532 WeakPolarHBondContact OG-CG 3.46Å; S529-Q532 PolarHBondContact OG-OE1 3.43Å; S529-Q532 VanDerWaalsContact OG-OE1 3.05Å; S529-F533 PolarHBondContact O-N 2.95Å
530	L	28.8	Very low	36.1	Very low	152 Å²	152	99.9 Å²	99.9	80%	0.796	51%	0.506	S	S	*	.	H	α-helix	trans	-56.1	-26.3	-177.8	-87.6	150.9	0	0	0	112.5	V528 S534	V528-L530 PolarHBondContact O-N 2.81Å; L530-S534 PolarHBondContact O-N 3.24Å; L530-S534 VanDerWaalsContact O-N 3.15Å; L530-S534 PolarHBondContact O-OG 3.13Å; L530-S534 VanDerWaalsContact O-OG 3.11Å
531	F	32.5	Very low	36.9	Very low	163 Å²	163	99.3 Å²	99.3	72%	0.715	50%	0.502	S	S	*	.	H	α-helix	trans	-65	-46.8	173.8	-93.9	-94.3	0	0	0	113.9	S529 F533 S534 L535	S529-F531 PolarHBondContact O-N 3.17Å; F531-F533 VanDerWaalsContact C-N 3.34Å; F531-F533 PolarHBondContact O-N 3.32Å; F531-S534 PolarHBondContact O-N 3.3Å; F531-L535 PolarHBondContact O-N 3.11Å; F531-L535 VanDerWaalsContact O-N 3.11Å
532	Q	40.9	Very low	37.5	Very low	115 Å²	115	98.1 Å²	98.1	54%	0.537	50%	0.496	S	S	.	.	H	α-helix	trans	-68.3	-35	-179	-75.1	173.4	-46.1	0	0	111.9	S529 L535 L536	S529-Q532 PolarHBondContact O-N 2.84Å; S529-Q532 WeakPolarHBondContact OG-CG 3.46Å; S529-Q532 PolarHBondContact OG-OE1 3.43Å; S529-Q532 VanDerWaalsContact OG-OE1 3.05Å; Q532-L535 PolarHBondContact O-N 2.69Å; Q532-L536 PolarHBondContact O-N 2.95Å
533	F	38.2	Very low	38.2	Very low	47 Å²	47	92.1 Å²	92.1	21%	0.206	49%	0.486	C	S	.	.	H	α-helix	trans	-67.4	-41.5	174.5	-113.4	-86.9	0	0	0	112.6	Q510 V528 S529 F531 L535 L536 I537	Q510-F533 VanDerWaalsContact OE1-CZ 3.28Å; V528-F533 HydrophobicContact CB-CD2 3.91Å; V528-F533 HydrophobicContact CB-CE2 4.04Å; V528-F533 HydrophobicContact CG1-CD2 3.65Å; V528-F533 HydrophobicContact CG1-CE2 3.97Å; V528-F533 HydrophobicContact CG2-CE2 4.23Å; S529-F533 PolarHBondContact O-N 2.95Å; F531-F533 VanDerWaalsContact C-N 3.34Å; F531-F533 PolarHBondContact O-N 3.32Å; F533-L535 VanDerWaalsContact C-N 3.29Å; F533-L535 PolarHBondContact O-N 3.41Å; F533-L536 PolarHBondContact O-N 3.09Å; F533-I537 HydrophobicContact CD1-CD1 4.38Å; F533-I537 WeakPolarHBondContact O-CB 3.13Å; F533-I537 VanDerWaalsContact O-CG1 3.28Å; F533-I537 WeakPolarHBondContact O-CG1 3.35Å; F533-I537 PolarHBondContact O-N 3.02Å
534	S	41.2	Very low	38.5	Very low	67 Å²	67	94 Å²	94	47%	0.469	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-37.6	174.6	-66.3	0	0	0	0	112.3	L530 F531 L538	L530-S534 PolarHBondContact O-N 3.24Å; L530-S534 VanDerWaalsContact O-N 3.15Å; L530-S534 PolarHBondContact O-OG 3.13Å; L530-S534 VanDerWaalsContact O-OG 3.11Å; F531-S534 PolarHBondContact O-N 3.3Å; S534-L538 WeakPolarHBondContact O-CB 3.47Å; S534-L538 WeakPolarHBondContact O-CG 3.39Å; S534-L538 PolarHBondContact O-N 3.14Å
535	L	46.5	Very low	39	Very low	47 Å²	47	93.8 Å²	93.8	25%	0.246	48%	0.479	C	S	.	.	H	α-helix	trans	-70.3	-41.5	176.2	-161.7	74.5	0	0	0	112.1	F531 Q532 F533 I537 L538 I539	F531-L535 PolarHBondContact O-N 3.11Å; F531-L535 VanDerWaalsContact O-N 3.11Å; Q532-L535 PolarHBondContact O-N 2.69Å; F533-L535 VanDerWaalsContact C-N 3.29Å; F533-L535 PolarHBondContact O-N 3.41Å; L535-I537 VanDerWaalsContact C-N 3.32Å; L535-I537 PolarHBondContact O-N 2.84Å; L535-L538 PolarHBondContact O-N 3.22Å; L535-I539 HydrophobicContact CG-CD1 4.16Å; L535-I539 VanDerWaalsContact O-CG1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.43Å; L535-I539 PolarHBondContact O-N 3.02Å
536	L	50.3	Low	39.6	Very low	48 Å²	48	86.1 Å²	86.1	25%	0.251	46%	0.456	S	S	.	.	H	α-helix	trans	-61.8	-40.9	174.7	-164.5	81.6	0	0	0	111.4	Q532 F533 I539 L540	Q532-L536 PolarHBondContact O-N 2.95Å; F533-L536 PolarHBondContact O-N 3.09Å; L536-I539 PolarHBondContact O-N 3.1Å; L536-L540 HydrophobicContact CG-CD1 4.3Å; L536-L540 WeakPolarHBondContact O-CB 3.38Å; L536-L540 VanDerWaalsContact O-CG 3.24Å; L536-L540 WeakPolarHBondContact O-CG 3.48Å; L536-L540 PolarHBondContact O-N 2.75Å
537	I	50.5	Low	40.2	Very low	44 Å²	44	85.3 Å²	85.3	23%	0.226	45%	0.448	C	S	.	.	H	α-helix	trans	-63.7	-44.1	173.7	-69.2	165.3	0	0	0	110.3	L519 F533 L535 L540 M541	L519-I537 HydrophobicContact CD2-CD1 3.89Å; L519-I537 HydrophobicContact CD2-CG1 4.04Å; L519-I537 HydrophobicContact CD2-CG2 3.81Å; F533-I537 HydrophobicContact CD1-CD1 4.38Å; F533-I537 WeakPolarHBondContact O-CB 3.13Å; F533-I537 VanDerWaalsContact O-CG1 3.28Å; F533-I537 WeakPolarHBondContact O-CG1 3.35Å; F533-I537 PolarHBondContact O-N 3.02Å; L535-I537 VanDerWaalsContact C-N 3.32Å; L535-I537 PolarHBondContact O-N 2.84Å; I537-L540 PolarHBondContact O-N 3.19Å; I537-M541 HydrophobicContact CG2-CG 4.04Å; I537-M541 WeakPolarHBondContact O-CB 3.46Å; I537-M541 WeakPolarHBondContact O-CG 3.4Å; I537-M541 PolarHBondContact O-N 3.32Å
538	L	49.4	Very low	41.1	Very low	83 Å²	83	78.4 Å²	78.4	44%	0.435	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-44.4	175.8	-81.8	162.5	0	0	0	112.5	S534 L535 L540 M541 S542	S534-L538 WeakPolarHBondContact O-CB 3.47Å; S534-L538 WeakPolarHBondContact O-CG 3.39Å; S534-L538 PolarHBondContact O-N 3.14Å; L535-L538 PolarHBondContact O-N 3.22Å; L538-L540 PolarHBondContact O-N 2.95Å; L538-M541 CarbonylContact O-C 3.58Å; L538-M541 PolarHBondContact O-N 3.23Å; L538-S542 PolarHBondContact O-N 3.28Å; L538-S542 PolarHBondContact O-OG 3.12Å; L538-S542 VanDerWaalsContact O-OG 3.07Å
539	I	49.6	Very low	41.8	Very low	62 Å²	62	78.4 Å²	78.4	32%	0.318	42%	0.415	S	S	.	.	H	α-helix	trans	-61.4	-44	176.8	-68.5	162.4	0	0	0	110.7	L535 L536 S542 A543	L535-I539 HydrophobicContact CG-CD1 4.16Å; L535-I539 VanDerWaalsContact O-CG1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.43Å; L535-I539 PolarHBondContact O-N 3.02Å; L536-I539 PolarHBondContact O-N 3.1Å; I539-S542 WeakPolarHBondContact CA-OG 3.15Å; I539-S542 PolarHBondContact O-N 2.65Å; I539-S542 PolarHBondContact O-OG 2.88Å; I539-A543 PolarHBondContact O-N 3.05Å
540	L	49.2	Very low	42.7	Very low	28 Å²	28	79.7 Å²	79.7	15%	0.147	42%	0.415	C	S	.	.	H	α-helix	trans	-65.5	-39.3	175.3	-71.7	167.7	0	0	0	112.1	L481 L536 I537 L538 S542 A543 F544	L481-L540 HydrophobicContact CD1-CD2 3.93Å; L481-L540 HydrophobicContact CD2-CD2 3.78Å; L536-L540 HydrophobicContact CG-CD1 4.3Å; L536-L540 WeakPolarHBondContact O-CB 3.38Å; L536-L540 VanDerWaalsContact O-CG 3.24Å; L536-L540 WeakPolarHBondContact O-CG 3.48Å; L536-L540 PolarHBondContact O-N 2.75Å; I537-L540 PolarHBondContact O-N 3.19Å; L538-L540 PolarHBondContact O-N 2.95Å; L540-S542 VanDerWaalsContact C-N 3.32Å; L540-A543 PolarHBondContact O-N 3.47Å; L540-F544 WeakPolarHBondContact O-CD2 3.42Å; L540-F544 WeakPolarHBondContact O-CE2 3.26Å
541	M	43.7	Very low	43.7	Very low	79 Å²	79	74.6 Å²	74.6	39%	0.389	39%	0.388	S	S	.	.	H	α-helix	trans	-72.4	-21.2	176.8	-67.9	-70.5	122.5	0	0	113.2	Y514 L519 I537 L538	Y514-M541 HydrophobicContact CE2-CE 4.28Å; L519-M541 HydrophobicContact CD1-CE 4.1Å; I537-M541 HydrophobicContact CG2-CG 4.04Å; I537-M541 WeakPolarHBondContact O-CB 3.46Å; I537-M541 WeakPolarHBondContact O-CG 3.4Å; I537-M541 PolarHBondContact O-N 3.32Å; L538-M541 CarbonylContact O-C 3.58Å; L538-M541 PolarHBondContact O-N 3.23Å
542	S	42.9	Very low	44.6	Very low	41 Å²	41	67.8 Å²	67.8	29%	0.287	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-6	171.7	57	0	0	0	0	114	M447 L538 I539 L540	M447-S542 WeakPolarHBondContact CE-O 3.4Å; L538-S542 PolarHBondContact O-N 3.28Å; L538-S542 PolarHBondContact O-OG 3.12Å; L538-S542 VanDerWaalsContact O-OG 3.07Å; I539-S542 WeakPolarHBondContact CA-OG 3.15Å; I539-S542 PolarHBondContact O-N 2.65Å; I539-S542 PolarHBondContact O-OG 2.88Å; L540-S542 VanDerWaalsContact C-N 3.32Å
543	A	43.2	Very low	44.9	Very low	63 Å²	63	63.8 Å²	63.8	52%	0.521	35%	0.348	S	S	.	.			trans	-95.7	2.2	175.9	0	0	0	0	0	113.2	I539 L540	I539-A543 PolarHBondContact O-N 3.05Å; L540-A543 PolarHBondContact O-N 3.47Å
544	F	34.5	Very low	45.5	Very low	157 Å²	157	65.4 Å²	65.4	69%	0.689	36%	0.361	S	S	*	.			trans	-122.8	0	169.7	-59.6	-65.9	0	0	0	109.9	W500 L540	W500-F544 AromaticContact CE2-CZ 3.6Å; W500-F544 HydrophobicContact CH2-CE1 4.32Å; W500-F544 AromaticContact CH2-CZ 3.89Å; W500-F544 HydrophobicContact CH2-CZ 3.89Å; W500-F544 AromaticContact CZ2-CE1 3.65Å; W500-F544 HydrophobicContact CZ2-CE1 3.65Å; W500-F544 HydrophobicContact CZ2-CE2 4.3Å; W500-F544 AromaticContact CZ2-CZ 3.21Å; W500-F544 HydrophobicContact CZ2-CZ 3.21Å; W500-F544 AromaticContact NE1-CZ 3.82Å; L540-F544 WeakPolarHBondContact O-CD2 3.42Å; L540-F544 WeakPolarHBondContact O-CE2 3.26Å

Retrieved 544 of 544 residues in 567.2 ms (Link to these results)

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