A0AA82N825_SCHMA Loading...

CCHC-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N825, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 543 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	79.6	Confident	86.3	Confident	90 Å²	90	76 Å²	76	44%	0.443	39%	0.388	S	S	.	.				0	138	0	-161.5	170.1	-166.8	0	0	107.8	R19 F20 F42	M1-R19 HydrophobicContact CE-CB 3.53Å; M1-F20 HydrophobicContact CE-CB 3.66Å; M1-F20 HydrophobicContact CE-CD2 4.45Å; M1-F20 HydrophobicContact SD-CB 4.28Å; M1-F20 HydrophobicContact SD-CD2 3.97Å; M1-F42 HydrophobicContact CB-CD1 3.66Å; M1-F42 HydrophobicContact CB-CE1 4Å; M1-F42 HydrophobicContact CB-CG 4.27Å; M1-F42 HydrophobicContact SD-CB 4.26Å; M1-F42 HydrophobicContact SD-CG 4.19Å
2	E	85.5	Confident	86.6	Confident	123 Å²	123	72.8 Å²	72.8	58%	0.575	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-61.5	158.5	173	-167.2	176.9	-166.7	0	0	110.4	Y16 R19	E2-Y16 VanDerWaalsContact O-CE2 3.29Å; E2-Y16 WeakPolarHBondContact O-CE2 3.28Å; E2-R19 IonicContact OE2-CZ 3.92Å; E2-R19 IonicContact OE2-NH1 3.97Å; E2-R19 PolarHBondContact OE2-NH1 3.5Å; E2-R19 IonicContact OE2-NH2 3.78Å; E2-R19 PolarHBondContact OE2-NH2 3.3Å
3	R	91.7	Very high	87.1	Confident	148 Å²	148	67.4 Å²	67.4	56%	0.558	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-81.9	154.7	175	-68	179.1	177.6	168.6	2.1	110	D5	R3-D5 PolarHBondContact O-N 3.07Å
4	L	91.4	Very high	87.5	Confident	9 Å²	9	69.5 Å²	69.5	5%	0.047	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-77.2	118.4	175.9	177.6	64.8	0	0	0	110	I6 F13 Y16 M17 I43 A47 L72	L4-I6 HydrophobicContact CD2-CG2 4.45Å; L4-I6 HydrophobicContact CG-CG2 4.47Å; L4-I6 PolarHBondContact O-N 3.03Å; L4-F13 HydrophobicContact CD1-CD2 3.95Å; L4-F13 HydrophobicContact CD2-CD2 4.24Å; L4-F13 HydrophobicContact CD2-CE2 4.08Å; L4-Y16 HydrophobicContact CB-CD1 4.19Å; L4-Y16 HydrophobicContact CB-CD2 4.03Å; L4-Y16 HydrophobicContact CB-CE1 4.02Å; L4-Y16 HydrophobicContact CB-CE2 3.81Å; L4-Y16 HydrophobicContact CB-CG 4.22Å; L4-Y16 HydrophobicContact CD1-CD1 3.72Å; L4-Y16 HydrophobicContact CD1-CD2 4.07Å; L4-Y16 HydrophobicContact CD1-CE1 4.38Å; L4-Y16 HydrophobicContact CD1-CG 3.57Å; L4-Y16 HydrophobicContact CG-CD1 4.36Å; L4-Y16 HydrophobicContact CG-CG 4.45Å; L4-M17 HydrophobicContact CD2-CE 4.05Å; L4-I43 HydrophobicContact CB-CB 4.2Å; L4-I43 HydrophobicContact CB-CG2 4.41Å; L4-I43 WeakPolarHBondContact CB-O 3.4Å; L4-I43 HydrophobicContact CD2-CG2 4.3Å; L4-I43 PolarHBondContact N-O 3.36Å; L4-A47 HydrophobicContact CB-CB 4.16Å; L4-A47 HydrophobicContact CD2-CB 4.05Å; L4-A47 HydrophobicContact CG-CB 4.37Å; L4-L72 HydrophobicContact CD2-CD1 4.22Å
5	D	89	Confident	87.8	Confident	84 Å²	84	72.9 Å²	72.9	45%	0.449	37%	0.374	S	S	.	.			trans	-83.8	106.4	167.8	180	7.2	0	0	0	109.8	R3 N7 S8	R3-D5 PolarHBondContact O-N 3.07Å; D5-N7 PolarHBondContact O-N 2.95Å; D5-N7 WeakPolarHBondContact OD1-CB 3.3Å; D5-N7 PolarHBondContact OD1-N 2.8Å; D5-S8 WeakPolarHBondContact O-CB 3.24Å; D5-S8 PolarHBondContact O-N 3.05Å; D5-S8 PolarHBondContact O-OG 3Å
6	I	85.2	Confident	88.2	Confident	21 Å²	21	68.5 Å²	68.5	11%	0.108	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.3	-179.6	56.9	173.9	0	0	0	113.7	L4 S8 E46 A47 L50	L4-I6 HydrophobicContact CD2-CG2 4.45Å; L4-I6 HydrophobicContact CG-CG2 4.47Å; L4-I6 PolarHBondContact O-N 3.03Å; I6-S8 VanDerWaalsContact C-N 3.32Å; I6-E46 HydrophobicContact CD1-CB 4.22Å; I6-A47 HydrophobicContact CG2-CB 3.7Å; I6-L50 HydrophobicContact CB-CD2 4.42Å; I6-L50 HydrophobicContact CD1-CD2 4.33Å; I6-L50 HydrophobicContact CG2-CD2 4.09Å
7	N	82.7	Confident	88.6	Confident	130 Å²	130	64.6 Å²	64.6	70%	0.695	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.9	178.3	-54	-53.9	0	0	0	112	D5	D5-N7 PolarHBondContact O-N 2.95Å; D5-N7 WeakPolarHBondContact OD1-CB 3.3Å; D5-N7 PolarHBondContact OD1-N 2.8Å
8	S	82.2	Confident	88.9	Confident	21 Å²	21	67.7 Å²	67.7	15%	0.147	34%	0.344	C	S	.	.	S	Bend	trans	-73.2	156.9	177.8	71.8	0	0	0	0	111.9	D5 I6 A12	D5-S8 WeakPolarHBondContact O-CB 3.24Å; D5-S8 PolarHBondContact O-N 3.05Å; D5-S8 PolarHBondContact O-OG 3Å; I6-S8 VanDerWaalsContact C-N 3.32Å; S8-A12 WeakPolarHBondContact OG-CB 3.33Å
9	G	84.4	Confident	89.1	Confident	37 Å²	37	69.4 Å²	69.4	38%	0.381	35%	0.346	S	S	.	.			trans	-64.7	163.1	177.4	0	0	0	0	0	112.4	N11 A12 F13	G9-N11 PolarHBondContact O-N 3.48Å; G9-N11 VanDerWaalsContact O-N 3.1Å; G9-A12 PolarHBondContact O-N 3.41Å; G9-F13 PolarHBondContact O-N 3.17Å
10	F	88.7	Confident	89.3	Confident	61 Å²	61	66 Å²	66	27%	0.268	33%	0.329	S	S	.	.	H	α-helix	trans	-46.9	-42.7	179.9	-177.2	-98.6	0	0	0	114.4	A12 F13 E14 L73 V76 K77 N80	F10-A12 PolarHBondContact O-N 3.09Å; F10-F13 WeakPolarHBondContact O-CB 3.29Å; F10-F13 PolarHBondContact O-N 3.06Å; F10-E14 HydrophobicContact CD1-CG 4.33Å; F10-E14 HydrophobicContact CE1-CG 3.87Å; F10-E14 WeakPolarHBondContact CE1-OE1 3.2Å; F10-E14 WeakPolarHBondContact CE1-OE2 3.29Å; F10-E14 VanDerWaalsContact CZ-CD 3.49Å; F10-E14 HydrophobicContact CZ-CG 4.01Å; F10-E14 WeakPolarHBondContact CZ-OE1 3.5Å; F10-E14 PolarHBondContact O-N 3.38Å; F10-L73 HydrophobicContact CD2-CD1 4.27Å; F10-L73 HydrophobicContact CE2-CD1 3.46Å; F10-L73 VanDerWaalsContact CE2-CD1 3.46Å; F10-L73 HydrophobicContact CZ-CD1 4.17Å; F10-V76 HydrophobicContact CD2-CG1 4.5Å; F10-K77 HydrophobicContact CD2-CG 4.1Å; F10-K77 HydrophobicContact CE2-CD 4.39Å; F10-K77 HydrophobicContact CE2-CG 3.88Å; F10-N80 PolarHBondContact N-ND2 3.12Å
11	N	88.7	Confident	89.5	Confident	112 Å²	112	65.8 Å²	65.8	60%	0.599	33%	0.327	S	S	*	.	H	α-helix	trans	-63.6	-41.4	-179.6	-63.3	2.7	0	0	0	112.4	G9 F13 E14 E15	G9-N11 PolarHBondContact O-N 3.48Å; G9-N11 VanDerWaalsContact O-N 3.1Å; N11-F13 VanDerWaalsContact C-N 3.31Å; N11-F13 PolarHBondContact O-N 3.15Å; N11-E14 PolarHBondContact O-N 2.93Å; N11-E15 WeakPolarHBondContact O-CG 3.15Å; N11-E15 PolarHBondContact O-N 2.89Å
12	A	90.4	Very high	90	Very high	38 Å²	38	65.6 Å²	65.6	31%	0.314	33%	0.327	S	S	.	.	H	α-helix	trans	-67.9	-34	179.4	0	0	0	0	0	111.7	S8 G9 F10 Y16	S8-A12 WeakPolarHBondContact OG-CB 3.33Å; G9-A12 PolarHBondContact O-N 3.41Å; F10-A12 PolarHBondContact O-N 3.09Å; A12-Y16 WeakPolarHBondContact O-CB 3.15Å; A12-Y16 PolarHBondContact O-N 2.71Å
13	F	92.6	Very high	90.3	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.009	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-46.4	170.6	177.3	-89.6	0	0	0	111.7	L4 G9 F10 N11 Y16 M17 L72 L73 V76	L4-F13 HydrophobicContact CD1-CD2 3.95Å; L4-F13 HydrophobicContact CD2-CD2 4.24Å; L4-F13 HydrophobicContact CD2-CE2 4.08Å; G9-F13 PolarHBondContact O-N 3.17Å; F10-F13 WeakPolarHBondContact O-CB 3.29Å; F10-F13 PolarHBondContact O-N 3.06Å; N11-F13 VanDerWaalsContact C-N 3.31Å; N11-F13 PolarHBondContact O-N 3.15Å; F13-Y16 PolarHBondContact O-N 3.41Å; F13-M17 HydrophobicContact CD1-CG 4.21Å; F13-M17 HydrophobicContact CD2-CE 4.1Å; F13-M17 HydrophobicContact CE1-CE 4.08Å; F13-M17 HydrophobicContact CE1-CG 3.77Å; F13-M17 HydrophobicContact CE2-CE 3.26Å; F13-M17 HydrophobicContact CE2-CG 4.47Å; F13-M17 HydrophobicContact CZ-CE 3.26Å; F13-M17 HydrophobicContact CZ-CG 3.95Å; F13-M17 HydrophobicContact CZ-SD 4.3Å; F13-M17 WeakPolarHBondContact O-CG 3.41Å; F13-M17 PolarHBondContact O-N 3.28Å; F13-L72 HydrophobicContact CE2-CB 3.67Å; F13-L72 HydrophobicContact CZ-CB 3.82Å; F13-L73 HydrophobicContact CD1-CD1 3.89Å; F13-L73 HydrophobicContact CE1-CB 3.84Å; F13-L73 HydrophobicContact CE1-CD1 3.63Å; F13-L73 HydrophobicContact CE1-CG 4.34Å; F13-L73 HydrophobicContact CZ-CB 4.08Å; F13-V76 HydrophobicContact CB-CG1 4.06Å; F13-V76 HydrophobicContact CB-CG2 4.44Å; F13-V76 HydrophobicContact CD2-CB 4.49Å; F13-V76 HydrophobicContact CD2-CG2 3.7Å; F13-V76 HydrophobicContact CE2-CG2 4.15Å; F13-V76 HydrophobicContact CG-CB 4.46Å; F13-V76 HydrophobicContact CG-CG1 4.31Å; F13-V76 HydrophobicContact CG-CG2 4.1Å
14	E	92.3	Very high	90.1	Very high	97 Å²	97	56.6 Å²	56.6	45%	0.453	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-45	177.6	-71.7	-165.4	149.2	0	0	112.1	F10 N11 Y16 M17 E18	F10-E14 HydrophobicContact CD1-CG 4.33Å; F10-E14 HydrophobicContact CE1-CG 3.87Å; F10-E14 WeakPolarHBondContact CE1-OE1 3.2Å; F10-E14 WeakPolarHBondContact CE1-OE2 3.29Å; F10-E14 VanDerWaalsContact CZ-CD 3.49Å; F10-E14 HydrophobicContact CZ-CG 4.01Å; F10-E14 WeakPolarHBondContact CZ-OE1 3.5Å; F10-E14 PolarHBondContact O-N 3.38Å; N11-E14 PolarHBondContact O-N 2.93Å; E14-Y16 VanDerWaalsContact C-N 3.3Å; E14-Y16 PolarHBondContact O-N 3.05Å; E14-M17 PolarHBondContact O-N 3.32Å; E14-M17 VanDerWaalsContact O-N 3.11Å; E14-E18 PolarHBondContact O-N 3.32Å
15	E	92.5	Very high	89.9	Confident	120 Å²	120	61.3 Å²	61.3	56%	0.561	32%	0.315	S	S	*	.	H	α-helix	trans	-60	-38.8	175.9	-74.1	175.2	-164.2	0	0	112.2	N11 R19	N11-E15 WeakPolarHBondContact O-CG 3.15Å; N11-E15 PolarHBondContact O-N 2.89Å; E15-R19 VanDerWaalsContact O-CG 3.32Å; E15-R19 WeakPolarHBondContact O-CG 3.1Å; E15-R19 PolarHBondContact O-N 3.09Å; E15-R19 VanDerWaalsContact O-N 3.07Å
16	Y	94.8	Very high	89.6	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.012	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-47.3	173.3	178.1	-82.5	0	0	0	111.6	E2 L4 A12 F13 E14 E18 R19 F20 F39 F42 I43	E2-Y16 VanDerWaalsContact O-CE2 3.29Å; E2-Y16 WeakPolarHBondContact O-CE2 3.28Å; L4-Y16 HydrophobicContact CB-CD1 4.19Å; L4-Y16 HydrophobicContact CB-CD2 4.03Å; L4-Y16 HydrophobicContact CB-CE1 4.02Å; L4-Y16 HydrophobicContact CB-CE2 3.81Å; L4-Y16 HydrophobicContact CB-CG 4.22Å; L4-Y16 HydrophobicContact CD1-CD1 3.72Å; L4-Y16 HydrophobicContact CD1-CD2 4.07Å; L4-Y16 HydrophobicContact CD1-CE1 4.38Å; L4-Y16 HydrophobicContact CD1-CG 3.57Å; L4-Y16 HydrophobicContact CG-CD1 4.36Å; L4-Y16 HydrophobicContact CG-CG 4.45Å; A12-Y16 WeakPolarHBondContact O-CB 3.15Å; A12-Y16 PolarHBondContact O-N 2.71Å; F13-Y16 PolarHBondContact O-N 3.41Å; E14-Y16 VanDerWaalsContact C-N 3.3Å; E14-Y16 PolarHBondContact O-N 3.05Å; Y16-E18 VanDerWaalsContact C-N 3.35Å; Y16-E18 PolarHBondContact O-N 3.45Å; Y16-R19 PolarHBondContact O-N 3.48Å; Y16-F20 HydrophobicContact CE1-CB 4.45Å; Y16-F20 PolarHBondContact O-N 2.86Å; Y16-F39 HydrophobicContact CE1-CE2 4.43Å; Y16-F42 PolarHBondContact OH-O 2.76Å; Y16-I43 HydrophobicContact CE1-CG2 4.05Å; Y16-I43 VanDerWaalsContact OH-CA 3.3Å; Y16-I43 WeakPolarHBondContact OH-CA 3.35Å; Y16-I43 PolarHBondContact OH-N 2.77Å
17	M	94.1	Very high	89.3	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-40.4	-178.7	-68.3	-61.9	163	0	0	111.6	L4 F13 E14 F20 E21 F39 K69 L72	L4-M17 HydrophobicContact CD2-CE 4.05Å; F13-M17 HydrophobicContact CD1-CG 4.21Å; F13-M17 HydrophobicContact CD2-CE 4.1Å; F13-M17 HydrophobicContact CE1-CE 4.08Å; F13-M17 HydrophobicContact CE1-CG 3.77Å; F13-M17 HydrophobicContact CE2-CE 3.26Å; F13-M17 HydrophobicContact CE2-CG 4.47Å; F13-M17 HydrophobicContact CZ-CE 3.26Å; F13-M17 HydrophobicContact CZ-CG 3.95Å; F13-M17 HydrophobicContact CZ-SD 4.3Å; F13-M17 WeakPolarHBondContact O-CG 3.41Å; F13-M17 PolarHBondContact O-N 3.28Å; E14-M17 PolarHBondContact O-N 3.32Å; E14-M17 VanDerWaalsContact O-N 3.11Å; M17-F20 PolarHBondContact O-N 3.48Å; M17-E21 WeakPolarHBondContact O-CB 3.17Å; M17-E21 WeakPolarHBondContact O-CG 3.39Å; M17-E21 PolarHBondContact O-N 3.36Å; M17-F39 HydrophobicContact CE-CE2 3.77Å; M17-F39 HydrophobicContact CE-CZ 3.72Å; M17-F39 HydrophobicContact SD-CE2 3.72Å; M17-F39 HydrophobicContact SD-CZ 4.16Å; M17-K69 HydrophobicContact CG-CG 4.42Å; M17-K69 HydrophobicContact SD-CG 4.12Å; M17-L72 HydrophobicContact CE-CD1 4.31Å
18	E	93.9	Very high	88.2	Confident	120 Å²	120	67 Å²	67	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-62	-46.3	175.2	-175.1	176.3	-165.3	0	0	111.3	E14 Y16 F20 E21 I22	E14-E18 PolarHBondContact O-N 3.32Å; Y16-E18 VanDerWaalsContact C-N 3.35Å; Y16-E18 PolarHBondContact O-N 3.45Å; E18-F20 PolarHBondContact O-N 3.07Å; E18-E21 PolarHBondContact O-N 3.2Å; E18-I22 HydrophobicContact CG-CD1 4.01Å; E18-I22 VanDerWaalsContact O-CG1 3.28Å; E18-I22 WeakPolarHBondContact O-CG1 3.5Å; E18-I22 PolarHBondContact O-N 2.69Å
19	R	93.6	Very high	87.2	Confident	101 Å²	101	73.7 Å²	73.7	38%	0.381	37%	0.373	S	S	.	.	H	α-helix	trans	-58.2	-38.5	173.9	-73	-173.8	-63	163.6	-4.3	111.9	M1 E2 E15 Y16 W23	M1-R19 HydrophobicContact CE-CB 3.53Å; E2-R19 IonicContact OE2-CZ 3.92Å; E2-R19 IonicContact OE2-NH1 3.97Å; E2-R19 PolarHBondContact OE2-NH1 3.5Å; E2-R19 IonicContact OE2-NH2 3.78Å; E2-R19 PolarHBondContact OE2-NH2 3.3Å; E15-R19 VanDerWaalsContact O-CG 3.32Å; E15-R19 WeakPolarHBondContact O-CG 3.1Å; E15-R19 PolarHBondContact O-N 3.09Å; E15-R19 VanDerWaalsContact O-N 3.07Å; Y16-R19 PolarHBondContact O-N 3.48Å; R19-W23 WeakPolarHBondContact O-CB 3.24Å; R19-W23 PolarHBondContact O-N 3.03Å
20	F	93.6	Very high	85.8	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-69	-41.9	-179.6	178.5	-101.6	0	0	0	110.8	M1 Y16 M17 E18 W23 A24 I35 H38 F39 F42 Y65	M1-F20 HydrophobicContact CE-CB 3.66Å; M1-F20 HydrophobicContact CE-CD2 4.45Å; M1-F20 HydrophobicContact SD-CB 4.28Å; M1-F20 HydrophobicContact SD-CD2 3.97Å; Y16-F20 HydrophobicContact CE1-CB 4.45Å; Y16-F20 PolarHBondContact O-N 2.86Å; M17-F20 PolarHBondContact O-N 3.48Å; E18-F20 PolarHBondContact O-N 3.07Å; F20-W23 HydrophobicContact CD2-CE3 4.23Å; F20-W23 AromaticContact CE2-CE3 3.83Å; F20-W23 HydrophobicContact CE2-CE3 3.83Å; F20-W23 HydrophobicContact CE2-CZ3 4.03Å; F20-W23 HydrophobicContact CZ-CE3 4.46Å; F20-W23 HydrophobicContact CZ-CZ3 4.46Å; F20-W23 WeakPolarHBondContact O-CB 3.41Å; F20-W23 PolarHBondContact O-N 3.25Å; F20-A24 WeakPolarHBondContact O-CB 3.29Å; F20-A24 PolarHBondContact O-N 3.16Å; F20-I35 HydrophobicContact CE1-CD1 4.39Å; F20-I35 HydrophobicContact CE1-CG1 3.93Å; F20-I35 HydrophobicContact CZ-CG1 3.97Å; F20-H38 HydrophobicContact CE2-CB 4.46Å; F20-F39 AromaticContact CD1-CD2 3.77Å; F20-F39 HydrophobicContact CD1-CD2 3.77Å; F20-F39 HydrophobicContact CD1-CE2 4.45Å; F20-F39 HydrophobicContact CD2-CD2 4.29Å; F20-F39 HydrophobicContact CE1-CB 3.86Å; F20-F39 AromaticContact CE1-CD2 3.69Å; F20-F39 HydrophobicContact CE1-CD2 3.69Å; F20-F39 HydrophobicContact CE1-CG 4.2Å; F20-F39 HydrophobicContact CE2-CB 4.06Å; F20-F39 HydrophobicContact CE2-CD2 4.23Å; F20-F39 HydrophobicContact CG-CD2 4.09Å; F20-F39 HydrophobicContact CZ-CB 3.48Å; F20-F39 VanDerWaalsContact CZ-CB 3.48Å; F20-F39 AromaticContact CZ-CD2 3.95Å; F20-F39 HydrophobicContact CZ-CD2 3.95Å; F20-F39 HydrophobicContact CZ-CG 4.21Å; F20-F42 HydrophobicContact CD2-CD2 4.25Å; F20-F42 AromaticContact CE2-CD2 3.87Å; F20-F42 HydrophobicContact CE2-CD2 3.87Å; F20-Y65 AromaticContact CD1-CE2 3.64Å; F20-Y65 HydrophobicContact CD1-CE2 3.64Å; F20-Y65 AromaticContact CD1-CZ 3.84Å; F20-Y65 AromaticContact CE1-CD2 3.95Å; F20-Y65 HydrophobicContact CE1-CD2 3.95Å; F20-Y65 AromaticContact CE1-CE2 3.46Å; F20-Y65 HydrophobicContact CE1-CE2 3.46Å; F20-Y65 VanDerWaalsContact CE1-CE2 3.46Å; F20-Y65 AromaticContact CE1-CZ 3.95Å
21	E	92.1	Very high	84.3	Confident	63 Å²	63	82 Å²	82	29%	0.294	41%	0.406	S	S	.	.	H	α-helix	trans	-67.1	-39.8	178	-74.2	168.5	-178.2	0	0	111.5	M17 E18 A24 M25 Y65 K69	M17-E21 WeakPolarHBondContact O-CB 3.17Å; M17-E21 WeakPolarHBondContact O-CG 3.39Å; M17-E21 PolarHBondContact O-N 3.36Å; E18-E21 PolarHBondContact O-N 3.2Å; E21-A24 PolarHBondContact O-N 2.77Å; E21-M25 WeakPolarHBondContact O-CG 3.21Å; E21-M25 PolarHBondContact O-N 3.21Å; E21-Y65 HydrophobicContact CG-CE1 4.29Å; E21-Y65 WeakPolarHBondContact CG-OH 3.21Å; E21-Y65 WeakPolarHBondContact OE1-CE1 3.3Å; E21-Y65 PolarHBondContact OE1-OH 3.05Å; E21-K69 IonicContact OE1-NZ 2.65Å; E21-K69 PolarHBondContact OE1-NZ 2.83Å; E21-K69 IonicContact OE2-NZ 3.35Å; E21-K69 PolarHBondContact OE2-NZ 3.43Å
22	I	91.2	Very high	82.6	Confident	86 Å²	86	85 Å²	85	44%	0.441	42%	0.422	S	S	.	.	H	α-helix	trans	-59.8	-48.3	170.5	-66.8	165.3	0	0	0	110.6	E18 A24 M25 T26	E18-I22 HydrophobicContact CG-CD1 4.01Å; E18-I22 VanDerWaalsContact O-CG1 3.28Å; E18-I22 WeakPolarHBondContact O-CG1 3.5Å; E18-I22 PolarHBondContact O-N 2.69Å; I22-A24 VanDerWaalsContact C-N 3.3Å; I22-A24 PolarHBondContact O-N 2.78Å; I22-M25 HydrophobicContact CB-CE 4.4Å; I22-M25 HydrophobicContact CG1-CE 4.06Å; I22-M25 PolarHBondContact O-N 3.48Å; I22-T26 WeakPolarHBondContact O-CG2 3.26Å; I22-T26 PolarHBondContact O-N 2.77Å
23	W	91.1	Very high	81	Confident	63 Å²	63	89 Å²	89	24%	0.239	43%	0.433	C	S	.	.	H	α-helix	trans	-59.1	-42.9	176.7	175.9	85.3	0	0	0	111.5	R19 F20 T26 K27 H38 F42	R19-W23 WeakPolarHBondContact O-CB 3.24Å; R19-W23 PolarHBondContact O-N 3.03Å; F20-W23 HydrophobicContact CD2-CE3 4.23Å; F20-W23 AromaticContact CE2-CE3 3.83Å; F20-W23 HydrophobicContact CE2-CE3 3.83Å; F20-W23 HydrophobicContact CE2-CZ3 4.03Å; F20-W23 HydrophobicContact CZ-CE3 4.46Å; F20-W23 HydrophobicContact CZ-CZ3 4.46Å; F20-W23 WeakPolarHBondContact O-CB 3.41Å; F20-W23 PolarHBondContact O-N 3.25Å; W23-T26 PolarHBondContact O-N 3Å; W23-T26 PolarHBondContact O-OG1 3.23Å; W23-K27 HydrophobicContact CH2-CG 4.08Å; W23-K27 HydrophobicContact CZ2-CG 4.02Å; W23-H38 HydrophobicContact CH2-CB 3.69Å; W23-H38 AromaticContact CH2-CD2 3.74Å; W23-H38 AromaticContact CH2-CG 3.4Å; W23-H38 AromaticContact CH2-ND1 3.58Å; W23-H38 HydrophobicContact CZ3-CB 3.61Å; W23-H38 AromaticContact CZ3-CG 3.84Å; W23-F42 HydrophobicContact CD2-CE2 4Å; W23-F42 HydrophobicContact CD2-CZ 4.43Å; W23-F42 AromaticContact CE2-CE2 3.74Å; W23-F42 AromaticContact CE2-CZ 3.84Å; W23-F42 HydrophobicContact CE3-CD2 4.47Å; W23-F42 AromaticContact CE3-CE2 3.95Å; W23-F42 HydrophobicContact CE3-CE2 3.95Å; W23-F42 AromaticContact CH2-CE2 3.54Å; W23-F42 HydrophobicContact CH2-CE2 3.54Å; W23-F42 HydrophobicContact CH2-CZ 4.21Å; W23-F42 AromaticContact CZ2-CE2 3.5Å; W23-F42 HydrophobicContact CZ2-CE2 3.5Å; W23-F42 AromaticContact CZ2-CZ 3.7Å; W23-F42 HydrophobicContact CZ2-CZ 3.7Å; W23-F42 HydrophobicContact CZ3-CD2 4.4Å; W23-F42 AromaticContact CZ3-CE2 3.74Å; W23-F42 HydrophobicContact CZ3-CE2 3.74Å
24	A	88.2	Confident	80.3	Confident	18 Å²	18	92.7 Å²	92.7	15%	0.149	45%	0.453	C	S	.	.	H	α-helix	trans	-65.1	-39.5	179.3	0	0	0	0	0	112.4	F20 E21 I22 T26 K27 I35	F20-A24 WeakPolarHBondContact O-CB 3.29Å; F20-A24 PolarHBondContact O-N 3.16Å; E21-A24 PolarHBondContact O-N 2.77Å; I22-A24 VanDerWaalsContact C-N 3.3Å; I22-A24 PolarHBondContact O-N 2.78Å; A24-T26 PolarHBondContact O-N 3.35Å; A24-K27 WeakPolarHBondContact O-CB 3.48Å; A24-K27 PolarHBondContact O-N 3.06Å; A24-I35 HydrophobicContact CB-CD1 3.73Å; A24-I35 HydrophobicContact CB-CG1 4.18Å
25	M	86	Confident	80.1	Confident	109 Å²	109	91.3 Å²	91.3	54%	0.537	45%	0.447	S	S	.	.	H	α-helix	trans	-62.5	-29.8	175	-72.5	-176.4	-65.6	0	0	112.6	E21 I22 K27 E28	E21-M25 WeakPolarHBondContact O-CG 3.21Å; E21-M25 PolarHBondContact O-N 3.21Å; I22-M25 HydrophobicContact CB-CE 4.4Å; I22-M25 HydrophobicContact CG1-CE 4.06Å; I22-M25 PolarHBondContact O-N 3.48Å; M25-K27 PolarHBondContact O-N 2.86Å; M25-E28 WeakPolarHBondContact O-CG 3.45Å
26	T	83.8	Confident	80	Confident	100 Å²	100	86 Å²	86	61%	0.613	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-3.1	175.1	67.8	0	0	0	0	114.3	I22 W23 A24	I22-T26 WeakPolarHBondContact O-CG2 3.26Å; I22-T26 PolarHBondContact O-N 2.77Å; W23-T26 PolarHBondContact O-N 3Å; W23-T26 PolarHBondContact O-OG1 3.23Å; A24-T26 PolarHBondContact O-N 3.35Å
27	K	78.4	Confident	79.8	Confident	99 Å²	99	87.5 Å²	87.5	43%	0.43	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	12.1	-178.1	-62.3	-59.1	-176.4	-176.5	0	113.7	W23 A24 M25 D29 D30	W23-K27 HydrophobicContact CH2-CG 4.08Å; W23-K27 HydrophobicContact CZ2-CG 4.02Å; A24-K27 WeakPolarHBondContact O-CB 3.48Å; A24-K27 PolarHBondContact O-N 3.06Å; M25-K27 PolarHBondContact O-N 2.86Å; K27-D29 PolarHBondContact O-N 3.15Å; K27-D30 PolarHBondContact O-N 3.02Å
28	E	60.2	Low	79.7	Confident	155 Å²	155	90.1 Å²	90.1	72%	0.724	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-12.1	-174.9	-83.3	179.3	167.8	0	0	115.9	M25	M25-E28 WeakPolarHBondContact O-CG 3.45Å
29	D	60	Low	79.7	Confident	161 Å²	161	84.4 Å²	84.4	86%	0.861	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-3.1	-174.9	-64.8	-37.3	0	0	0	115.4	K27	K27-D29 PolarHBondContact O-N 3.15Å
30	D	56.3	Low	79.6	Confident	97 Å²	97	80.5 Å²	80.5	52%	0.519	41%	0.408	S	S	.	.	S	Bend	trans	-108.9	117.7	-179.9	-71.6	-40.8	0	0	0	111.5	K27 D32 F33	K27-D30 PolarHBondContact O-N 3.02Å; D30-D32 PolarHBondContact O-N 2.94Å; D30-D32 VanDerWaalsContact O-N 3.15Å; D30-F33 HydrophobicContact CB-CD2 3.52Å; D30-F33 HydrophobicContact CB-CE2 3.83Å; D30-F33 HydrophobicContact CB-CG 4.35Å; D30-F33 WeakPolarHBondContact O-CD2 3.37Å; D30-F33 PolarHBondContact O-N 3.45Å
31	E	56.2	Low	79.5	Confident	177 Å²	177	85.6 Å²	85.6	83%	0.827	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-18	99.6	175.8	-66.2	-176.3	166.1	0	0	116.3	F33	E31-F33 WeakPolarHBondContact O-CA 3.21Å; E31-F33 WeakPolarHBondContact O-CD2 3.03Å; E31-F33 PolarHBondContact O-N 3.26Å
32	D	53.1	Low	79.6	Confident	173 Å²	173	85 Å²	85	93%	0.925	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.2	37.4	167.2	-93.3	-22.1	0	0	0	113.8	D30 N34	D30-D32 PolarHBondContact O-N 2.94Å; D30-D32 VanDerWaalsContact O-N 3.15Å; D32-N34 PolarHBondContact O-N 2.91Å
33	F	56.9	Low	79.7	Confident	124 Å²	124	80.9 Å²	80.9	54%	0.544	42%	0.415	S	S	.	.			trans	-67.1	109.6	-172.6	-102	-94.6	0	0	0	106.5	D30 E31 I35 H38	D30-F33 HydrophobicContact CB-CD2 3.52Å; D30-F33 HydrophobicContact CB-CE2 3.83Å; D30-F33 HydrophobicContact CB-CG 4.35Å; D30-F33 WeakPolarHBondContact O-CD2 3.37Å; D30-F33 PolarHBondContact O-N 3.45Å; E31-F33 WeakPolarHBondContact O-CA 3.21Å; E31-F33 WeakPolarHBondContact O-CD2 3.03Å; E31-F33 PolarHBondContact O-N 3.26Å; F33-I35 VanDerWaalsContact C-N 3.34Å; F33-I35 PolarHBondContact O-N 3.38Å; F33-H38 AromaticContact CD1-NE2 3.86Å
34	N	77.6	Confident	79.7	Confident	79 Å²	79	78.3 Å²	78.3	42%	0.422	41%	0.408	S	S	.	.			trans	-53.4	95.5	-160.7	-163.5	-9.4	0	0	0	109.8	D32 V36 A37 H38	D32-N34 PolarHBondContact O-N 2.91Å; N34-V36 CarbonylContact O-C 3.54Å; N34-V36 PolarHBondContact O-N 2.8Å; N34-V36 WeakPolarHBondContact OD1-CB 3.38Å; N34-A37 HydrophobicContact CB-CB 3.89Å; N34-A37 WeakPolarHBondContact O-CA 3.31Å; N34-A37 VanDerWaalsContact O-CB 3.29Å; N34-A37 WeakPolarHBondContact O-CB 3.25Å; N34-A37 PolarHBondContact O-N 2.86Å; N34-H38 PolarHBondContact O-N 2.85Å; N34-H38 VanDerWaalsContact O-N 3.13Å
35	I	87.8	Confident	80	Confident	67 Å²	67	85.7 Å²	85.7	34%	0.344	44%	0.437	S	S	.	.	H	α-helix	trans	-51.5	-30.9	-177.7	-170.6	169.8	0	0	0	110.4	F20 A24 F33 F39	F20-I35 HydrophobicContact CE1-CD1 4.39Å; F20-I35 HydrophobicContact CE1-CG1 3.93Å; F20-I35 HydrophobicContact CZ-CG1 3.97Å; A24-I35 HydrophobicContact CB-CD1 3.73Å; A24-I35 HydrophobicContact CB-CG1 4.18Å; F33-I35 VanDerWaalsContact C-N 3.34Å; F33-I35 PolarHBondContact O-N 3.38Å; I35-F39 WeakPolarHBondContact O-CB 3.46Å; I35-F39 PolarHBondContact O-N 2.82Å
36	V	91.4	Very high	80.1	Confident	8 Å²	8	86.4 Å²	86.4	5%	0.048	44%	0.439	C	S	.	.	H	α-helix	trans	-64.3	-45.4	172.8	-179.3	0	0	0	0	112.3	N34 F39 L40 I61 L63 L68	N34-V36 CarbonylContact O-C 3.54Å; N34-V36 PolarHBondContact O-N 2.8Å; N34-V36 WeakPolarHBondContact OD1-CB 3.38Å; V36-F39 PolarHBondContact O-N 2.89Å; V36-L40 HydrophobicContact CG1-CD1 3.82Å; V36-L40 HydrophobicContact CG1-CG 4.28Å; V36-L40 WeakPolarHBondContact O-CB 3.36Å; V36-L40 WeakPolarHBondContact O-CG 3.41Å; V36-L40 PolarHBondContact O-N 2.79Å; V36-I61 HydrophobicContact CG1-CD1 4.13Å; V36-L63 WeakPolarHBondContact CG2-O 3.47Å; V36-L68 HydrophobicContact CG1-CD1 3.55Å
37	A	91	Very high	80.6	Confident	35 Å²	35	81.6 Å²	81.6	29%	0.289	41%	0.41	S	S	.	.	H	α-helix	trans	-62.5	-44.5	177	0	0	0	0	0	111.4	N34 L40 T41 I61	N34-A37 HydrophobicContact CB-CB 3.89Å; N34-A37 WeakPolarHBondContact O-CA 3.31Å; N34-A37 VanDerWaalsContact O-CB 3.29Å; N34-A37 WeakPolarHBondContact O-CB 3.25Å; N34-A37 PolarHBondContact O-N 2.86Å; A37-L40 PolarHBondContact O-N 3.06Å; A37-T41 WeakPolarHBondContact O-CB 3.45Å; A37-T41 PolarHBondContact O-N 3.1Å; A37-T41 PolarHBondContact O-OG1 3.23Å; A37-I61 HydrophobicContact CB-CD1 3.84Å
38	H	90.8	Very high	81.4	Confident	57 Å²	57	81.3 Å²	81.3	26%	0.264	41%	0.407	S	S	.	.	H	α-helix	trans	-62.5	-47.7	174.6	-76.6	-58.6	0	0	0	111.4	F20 W23 F33 N34 L40 T41 F42	F20-H38 HydrophobicContact CE2-CB 4.46Å; W23-H38 HydrophobicContact CH2-CB 3.69Å; W23-H38 AromaticContact CH2-CD2 3.74Å; W23-H38 AromaticContact CH2-CG 3.4Å; W23-H38 AromaticContact CH2-ND1 3.58Å; W23-H38 HydrophobicContact CZ3-CB 3.61Å; W23-H38 AromaticContact CZ3-CG 3.84Å; F33-H38 AromaticContact CD1-NE2 3.86Å; N34-H38 PolarHBondContact O-N 2.85Å; N34-H38 VanDerWaalsContact O-N 3.13Å; H38-L40 PolarHBondContact O-N 2.81Å; H38-T41 WeakPolarHBondContact O-CB 2.94Å; H38-T41 PolarHBondContact O-N 2.93Å; H38-T41 VanDerWaalsContact O-N 3.07Å; H38-F42 HydrophobicContact CB-CD2 4.24Å; H38-F42 HydrophobicContact CB-CE2 4.07Å; H38-F42 WeakPolarHBondContact O-CD2 3.49Å; H38-F42 PolarHBondContact O-N 2.81Å
39	F	93.6	Very high	82.9	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-53.6	-53.5	176	-179	-109.9	0	0	0	111.9	Y16 M17 F20 I35 V36 T41 F42 I43 Y65 L68 L72	Y16-F39 HydrophobicContact CE1-CE2 4.43Å; M17-F39 HydrophobicContact CE-CE2 3.77Å; M17-F39 HydrophobicContact CE-CZ 3.72Å; M17-F39 HydrophobicContact SD-CE2 3.72Å; M17-F39 HydrophobicContact SD-CZ 4.16Å; F20-F39 AromaticContact CD1-CD2 3.77Å; F20-F39 HydrophobicContact CD1-CD2 3.77Å; F20-F39 HydrophobicContact CD1-CE2 4.45Å; F20-F39 HydrophobicContact CD2-CD2 4.29Å; F20-F39 HydrophobicContact CE1-CB 3.86Å; F20-F39 AromaticContact CE1-CD2 3.69Å; F20-F39 HydrophobicContact CE1-CD2 3.69Å; F20-F39 HydrophobicContact CE1-CG 4.2Å; F20-F39 HydrophobicContact CE2-CB 4.06Å; F20-F39 HydrophobicContact CE2-CD2 4.23Å; F20-F39 HydrophobicContact CG-CD2 4.09Å; F20-F39 HydrophobicContact CZ-CB 3.48Å; F20-F39 VanDerWaalsContact CZ-CB 3.48Å; F20-F39 AromaticContact CZ-CD2 3.95Å; F20-F39 HydrophobicContact CZ-CD2 3.95Å; F20-F39 HydrophobicContact CZ-CG 4.21Å; I35-F39 WeakPolarHBondContact O-CB 3.46Å; I35-F39 PolarHBondContact O-N 2.82Å; V36-F39 PolarHBondContact O-N 2.89Å; F39-T41 PolarHBondContact O-N 2.89Å; F39-F42 PolarHBondContact O-N 2.81Å; F39-F42 VanDerWaalsContact O-N 3.1Å; F39-I43 HydrophobicContact CD1-CG2 4.27Å; F39-I43 HydrophobicContact CD2-CG2 3.87Å; F39-I43 HydrophobicContact CE1-CD1 4.38Å; F39-I43 HydrophobicContact CE1-CG2 3.92Å; F39-I43 HydrophobicContact CE2-CG2 3.49Å; F39-I43 VanDerWaalsContact CE2-CG2 3.49Å; F39-I43 HydrophobicContact CG-CG2 4.26Å; F39-I43 HydrophobicContact CZ-CG2 3.52Å; F39-I43 WeakPolarHBondContact O-CG2 3.44Å; F39-I43 PolarHBondContact O-N 3.24Å; F39-Y65 HydrophobicContact CB-CD2 4.22Å; F39-Y65 HydrophobicContact CD1-CD2 4.32Å; F39-Y65 HydrophobicContact CD2-CD2 4.07Å; F39-Y65 AromaticContact CD2-CE2 3.61Å; F39-Y65 HydrophobicContact CD2-CE2 3.61Å; F39-Y65 AromaticContact CE2-CE2 3.84Å; F39-Y65 HydrophobicContact CE2-CE2 3.84Å; F39-Y65 AromaticContact CG-CD2 3.94Å; F39-Y65 HydrophobicContact CG-CD2 3.94Å; F39-Y65 AromaticContact CG-CE2 3.97Å; F39-Y65 HydrophobicContact CG-CE2 3.97Å; F39-Y65 HydrophobicContact CZ-CE2 4.39Å; F39-L68 HydrophobicContact CD1-CB 4.36Å; F39-L68 HydrophobicContact CD1-CD1 4.14Å; F39-L68 HydrophobicContact CE1-CB 3.98Å; F39-L68 HydrophobicContact CE1-CD1 4.49Å; F39-L72 HydrophobicContact CE1-CD1 3.97Å; F39-L72 HydrophobicContact CZ-CD1 3.72Å
40	L	93.3	Very high	84.5	Confident	19 Å²	19	69.4 Å²	69.4	10%	0.099	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-25.7	179.7	-67.5	171.9	0	0	0	113.1	V36 A37 H38 I43 Y48 T51 P60 I61 L68	V36-L40 HydrophobicContact CG1-CD1 3.82Å; V36-L40 HydrophobicContact CG1-CG 4.28Å; V36-L40 WeakPolarHBondContact O-CB 3.36Å; V36-L40 WeakPolarHBondContact O-CG 3.41Å; V36-L40 PolarHBondContact O-N 2.79Å; A37-L40 PolarHBondContact O-N 3.06Å; H38-L40 PolarHBondContact O-N 2.81Å; L40-I43 HydrophobicContact CD2-CD1 4.12Å; L40-Y48 HydrophobicContact CB-CD2 4.16Å; L40-Y48 HydrophobicContact CB-CE2 4.26Å; L40-Y48 HydrophobicContact CD2-CD2 3.94Å; L40-Y48 HydrophobicContact CD2-CE2 4.13Å; L40-T51 HydrophobicContact CD2-CG2 4Å; L40-P60 HydrophobicContact CD1-CB 3.8Å; L40-P60 HydrophobicContact CD2-CB 3.68Å; L40-P60 HydrophobicContact CG-CB 4.42Å; L40-I61 HydrophobicContact CD1-CB 4.18Å; L40-I61 HydrophobicContact CD1-CD1 4.06Å; L40-L68 HydrophobicContact CD2-CD1 4.17Å; L40-L68 HydrophobicContact CG-CD1 4.39Å
41	T	91.4	Very high	86.3	Confident	108 Å²	108	64.8 Å²	64.8	66%	0.663	33%	0.327	S	S	*	.	H	α-helix	trans	-78.4	-39.3	175.3	-55.8	0	0	0	0	111.7	A37 H38 F39	A37-T41 WeakPolarHBondContact O-CB 3.45Å; A37-T41 PolarHBondContact O-N 3.1Å; A37-T41 PolarHBondContact O-OG1 3.23Å; H38-T41 WeakPolarHBondContact O-CB 2.94Å; H38-T41 PolarHBondContact O-N 2.93Å; H38-T41 VanDerWaalsContact O-N 3.07Å; F39-T41 PolarHBondContact O-N 2.89Å
42	F	92.7	Very high	88.1	Confident	49 Å²	49	62 Å²	62	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-80.9	-33.5	-175.7	-73.3	-59.7	0	0	0	114.4	M1 Y16 F20 W23 H38 F39 G44	M1-F42 HydrophobicContact CB-CD1 3.66Å; M1-F42 HydrophobicContact CB-CE1 4Å; M1-F42 HydrophobicContact CB-CG 4.27Å; M1-F42 HydrophobicContact SD-CB 4.26Å; M1-F42 HydrophobicContact SD-CG 4.19Å; Y16-F42 PolarHBondContact OH-O 2.76Å; F20-F42 HydrophobicContact CD2-CD2 4.25Å; F20-F42 AromaticContact CE2-CD2 3.87Å; F20-F42 HydrophobicContact CE2-CD2 3.87Å; W23-F42 HydrophobicContact CD2-CE2 4Å; W23-F42 HydrophobicContact CD2-CZ 4.43Å; W23-F42 AromaticContact CE2-CE2 3.74Å; W23-F42 AromaticContact CE2-CZ 3.84Å; W23-F42 HydrophobicContact CE3-CD2 4.47Å; W23-F42 AromaticContact CE3-CE2 3.95Å; W23-F42 HydrophobicContact CE3-CE2 3.95Å; W23-F42 AromaticContact CH2-CE2 3.54Å; W23-F42 HydrophobicContact CH2-CE2 3.54Å; W23-F42 HydrophobicContact CH2-CZ 4.21Å; W23-F42 AromaticContact CZ2-CE2 3.5Å; W23-F42 HydrophobicContact CZ2-CE2 3.5Å; W23-F42 AromaticContact CZ2-CZ 3.7Å; W23-F42 HydrophobicContact CZ2-CZ 3.7Å; W23-F42 HydrophobicContact CZ3-CD2 4.4Å; W23-F42 AromaticContact CZ3-CE2 3.74Å; W23-F42 HydrophobicContact CZ3-CE2 3.74Å; H38-F42 HydrophobicContact CB-CD2 4.24Å; H38-F42 HydrophobicContact CB-CE2 4.07Å; H38-F42 WeakPolarHBondContact O-CD2 3.49Å; H38-F42 PolarHBondContact O-N 2.81Å; F39-F42 PolarHBondContact O-N 2.81Å; F39-F42 VanDerWaalsContact O-N 3.1Å; F42-G44 PolarHBondContact O-N 3.39Å
43	I	93.6	Very high	90	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-60.1	-20.4	-175.6	59.1	176.2	0	0	0	113.9	L4 Y16 F39 L40 A47	L4-I43 HydrophobicContact CB-CB 4.2Å; L4-I43 HydrophobicContact CB-CG2 4.41Å; L4-I43 WeakPolarHBondContact CB-O 3.4Å; L4-I43 HydrophobicContact CD2-CG2 4.3Å; L4-I43 PolarHBondContact N-O 3.36Å; Y16-I43 HydrophobicContact CE1-CG2 4.05Å; Y16-I43 VanDerWaalsContact OH-CA 3.3Å; Y16-I43 WeakPolarHBondContact OH-CA 3.35Å; Y16-I43 PolarHBondContact OH-N 2.77Å; F39-I43 HydrophobicContact CD1-CG2 4.27Å; F39-I43 HydrophobicContact CD2-CG2 3.87Å; F39-I43 HydrophobicContact CE1-CD1 4.38Å; F39-I43 HydrophobicContact CE1-CG2 3.92Å; F39-I43 HydrophobicContact CE2-CG2 3.49Å; F39-I43 VanDerWaalsContact CE2-CG2 3.49Å; F39-I43 HydrophobicContact CG-CG2 4.26Å; F39-I43 HydrophobicContact CZ-CG2 3.52Å; F39-I43 WeakPolarHBondContact O-CG2 3.44Å; F39-I43 PolarHBondContact O-N 3.24Å; L40-I43 HydrophobicContact CD2-CD1 4.12Å; I43-A47 HydrophobicContact CB-CB 3.75Å; I43-A47 HydrophobicContact CD1-CB 4.11Å; I43-A47 HydrophobicContact CG1-CB 4.05Å; I43-A47 WeakPolarHBondContact O-CB 3.26Å
44	G	92.4	Very high	91.7	Very high	10 Å²	10	54.2 Å²	54.2	10%	0.103	28%	0.275	C	S	.	.			trans	85.6	168.6	-179.4	0	0	0	0	0	113.6	F42 E46 Y48	F42-G44 PolarHBondContact O-N 3.39Å; G44-E46 PolarHBondContact O-N 3.18Å; G44-Y48 VanDerWaalsContact O-CB 3.23Å; G44-Y48 WeakPolarHBondContact O-CB 3.37Å; G44-Y48 PolarHBondContact O-N 2.77Å
45	K	92.5	Very high	92.5	Very high	172 Å²	172	50.4 Å²	50.4	75%	0.748	26%	0.255	S	S	*	.	H	α-helix	trans	-62.9	-41.6	-168.1	-176.3	-178	177.4	-176	0	114	S49	K45-S49 WeakPolarHBondContact O-CB 3.11Å; K45-S49 PolarHBondContact O-N 3.39Å; K45-S49 PolarHBondContact O-OG 2.99Å
46	E	89.7	Confident	92.6	Very high	124 Å²	124	52 Å²	52	58%	0.579	26%	0.264	S	S	*	.	H	α-helix	trans	-68.2	-52.6	-178.1	-65.9	-176.5	178.1	0	0	110.9	I6 G44 Y48 S49 L50	I6-E46 HydrophobicContact CD1-CB 4.22Å; G44-E46 PolarHBondContact O-N 3.18Å; E46-Y48 VanDerWaalsContact C-N 3.33Å; E46-Y48 PolarHBondContact O-N 3.38Å; E46-S49 WeakPolarHBondContact O-CB 3.21Å; E46-S49 PolarHBondContact O-N 3.39Å; E46-S49 VanDerWaalsContact O-N 3.12Å; E46-L50 PolarHBondContact O-N 3.41Å
47	A	93.1	Very high	92.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.9	-44.9	174	0	0	0	0	0	111.9	L4 I6 I43 S49 L50 T51	L4-A47 HydrophobicContact CB-CB 4.16Å; L4-A47 HydrophobicContact CD2-CB 4.05Å; L4-A47 HydrophobicContact CG-CB 4.37Å; I6-A47 HydrophobicContact CG2-CB 3.7Å; I43-A47 HydrophobicContact CB-CB 3.75Å; I43-A47 HydrophobicContact CD1-CB 4.11Å; I43-A47 HydrophobicContact CG1-CB 4.05Å; I43-A47 WeakPolarHBondContact O-CB 3.26Å; A47-S49 VanDerWaalsContact C-N 3.32Å; A47-S49 PolarHBondContact O-N 3.22Å; A47-L50 WeakPolarHBondContact O-CB 3.49Å; A47-L50 PolarHBondContact O-N 3.17Å; A47-T51 PolarHBondContact O-N 3.5Å; A47-T51 PolarHBondContact O-OG1 3.19Å
48	Y	95.2	Very high	92.6	Very high	93 Å²	93	58.6 Å²	58.6	37%	0.365	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-40	176.3	178.5	-96.7	0	0	0	112.7	L40 G44 E46 T51 K52	L40-Y48 HydrophobicContact CB-CD2 4.16Å; L40-Y48 HydrophobicContact CB-CE2 4.26Å; L40-Y48 HydrophobicContact CD2-CD2 3.94Å; L40-Y48 HydrophobicContact CD2-CE2 4.13Å; G44-Y48 VanDerWaalsContact O-CB 3.23Å; G44-Y48 WeakPolarHBondContact O-CB 3.37Å; G44-Y48 PolarHBondContact O-N 2.77Å; E46-Y48 VanDerWaalsContact C-N 3.33Å; E46-Y48 PolarHBondContact O-N 3.38Å; Y48-T51 PolarHBondContact O-N 3.11Å; Y48-K52 WeakPolarHBondContact O-CB 3.33Å; Y48-K52 PolarHBondContact O-N 3.32Å
49	S	92.9	Very high	92.6	Very high	57 Å²	57	63.2 Å²	63.2	40%	0.399	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-42.5	177.1	-59.9	0	0	0	0	111.2	K45 E46 A47 K52 I53	K45-S49 WeakPolarHBondContact O-CB 3.11Å; K45-S49 PolarHBondContact O-N 3.39Å; K45-S49 PolarHBondContact O-OG 2.99Å; E46-S49 WeakPolarHBondContact O-CB 3.21Å; E46-S49 PolarHBondContact O-N 3.39Å; E46-S49 VanDerWaalsContact O-N 3.12Å; A47-S49 VanDerWaalsContact C-N 3.32Å; A47-S49 PolarHBondContact O-N 3.22Å; S49-K52 PolarHBondContact O-N 3.31Å; S49-I53 WeakPolarHBondContact O-CG1 3.33Å; S49-I53 PolarHBondContact O-N 3.34Å
50	L	93.3	Very high	92.5	Very high	8 Å²	8	63.6 Å²	63.6	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-48.4	172.8	176.1	66.6	0	0	0	111.4	I6 E46 A47 K52 I53 L54 L72 H75	I6-L50 HydrophobicContact CB-CD2 4.42Å; I6-L50 HydrophobicContact CD1-CD2 4.33Å; I6-L50 HydrophobicContact CG2-CD2 4.09Å; E46-L50 PolarHBondContact O-N 3.41Å; A47-L50 WeakPolarHBondContact O-CB 3.49Å; A47-L50 PolarHBondContact O-N 3.17Å; L50-K52 PolarHBondContact O-N 3.41Å; L50-I53 WeakPolarHBondContact O-CB 3.28Å; L50-I53 PolarHBondContact O-N 2.94Å; L50-L54 HydrophobicContact CD1-CD1 4.01Å; L50-L54 HydrophobicContact CD1-CD2 4.5Å; L50-L54 HydrophobicContact CD1-CG 4.08Å; L50-L54 HydrophobicContact CD2-CD1 4.31Å; L50-L54 HydrophobicContact CG-CD1 3.79Å; L50-L54 HydrophobicContact CG-CG 4.25Å; L50-L54 WeakPolarHBondContact O-CG 3.24Å; L50-L54 PolarHBondContact O-N 2.88Å; L50-L72 HydrophobicContact CD2-CD2 3.79Å; L50-L72 HydrophobicContact CG-CD2 4.24Å; L50-H75 HydrophobicContact CD2-CB 4.47Å; L50-H75 WeakPolarHBondContact CD2-CD2 3.47Å
51	T	93.9	Very high	92.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-56.6	-40.4	176.9	-54	0	0	0	0	111.4	L40 A47 Y48 I53 L54 A55 P60 L68	L40-T51 HydrophobicContact CD2-CG2 4Å; A47-T51 PolarHBondContact O-N 3.5Å; A47-T51 PolarHBondContact O-OG1 3.19Å; Y48-T51 PolarHBondContact O-N 3.11Å; T51-I53 VanDerWaalsContact C-N 3.31Å; T51-I53 PolarHBondContact O-N 3.2Å; T51-L54 PolarHBondContact O-N 3.46Å; T51-A55 WeakPolarHBondContact O-CB 3.46Å; T51-A55 PolarHBondContact O-N 2.98Å; T51-P60 HydrophobicContact CG2-CB 4.04Å; T51-P60 HydrophobicContact CG2-CG 4.33Å; T51-L68 HydrophobicContact CG2-CD2 3.64Å
52	K	93.5	Very high	92.4	Very high	120 Å²	120	65.2 Å²	65.2	52%	0.522	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-38.4	176	-172.2	177.9	178.9	-179.8	0	112.2	Y48 S49 L50 L56 P60	Y48-K52 WeakPolarHBondContact O-CB 3.33Å; Y48-K52 PolarHBondContact O-N 3.32Å; S49-K52 PolarHBondContact O-N 3.31Å; L50-K52 PolarHBondContact O-N 3.41Å; K52-L56 WeakPolarHBondContact O-CG 3.49Å; K52-P60 HydrophobicContact CB-CG 4.24Å
53	I	93.2	Very high	92.3	Very high	91 Å²	91	64 Å²	64	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-69.8	-46.6	176.3	-65.7	165	0	0	0	110.5	S49 L50 T51 A55 L56 F133	S49-I53 WeakPolarHBondContact O-CG1 3.33Å; S49-I53 PolarHBondContact O-N 3.34Å; L50-I53 WeakPolarHBondContact O-CB 3.28Å; L50-I53 PolarHBondContact O-N 2.94Å; T51-I53 VanDerWaalsContact C-N 3.31Å; T51-I53 PolarHBondContact O-N 3.2Å; I53-A55 VanDerWaalsContact C-N 3.35Å; I53-A55 PolarHBondContact O-N 2.91Å; I53-L56 PolarHBondContact O-N 3.46Å; I53-F133 HydrophobicContact CD1-CE1 4.05Å; I53-F133 HydrophobicContact CD1-CZ 4.41Å
54	L	93.5	Very high	92.2	Very high	41 Å²	41	67.8 Å²	67.8	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-67.1	-34.3	-177.7	-64.1	174.7	0	0	0	112.6	L50 T51 L56 L71 L72 H75 R98	L50-L54 HydrophobicContact CD1-CD1 4.01Å; L50-L54 HydrophobicContact CD1-CD2 4.5Å; L50-L54 HydrophobicContact CD1-CG 4.08Å; L50-L54 HydrophobicContact CD2-CD1 4.31Å; L50-L54 HydrophobicContact CG-CD1 3.79Å; L50-L54 HydrophobicContact CG-CG 4.25Å; L50-L54 WeakPolarHBondContact O-CG 3.24Å; L50-L54 PolarHBondContact O-N 2.88Å; T51-L54 PolarHBondContact O-N 3.46Å; L54-L56 PolarHBondContact O-N 3.39Å; L54-L71 HydrophobicContact CB-CB 4.25Å; L54-L71 HydrophobicContact CB-CD1 4.35Å; L54-L71 HydrophobicContact CB-CD2 4.41Å; L54-L71 HydrophobicContact CD1-CB 4.29Å; L54-L72 HydrophobicContact CD1-CD2 4.35Å; L54-H75 HydrophobicContact CD1-CB 4.09Å; L54-R98 PolarHBondContact O-NH1 3.02Å
55	A	93	Very high	92.2	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-71.7	-23.3	-179.1	0	0	0	0	0	114	T51 I53 D58 P60 L63 R98	T51-A55 WeakPolarHBondContact O-CB 3.46Å; T51-A55 PolarHBondContact O-N 2.98Å; I53-A55 VanDerWaalsContact C-N 3.35Å; I53-A55 PolarHBondContact O-N 2.91Å; A55-D58 CarbonylContact C-O 3.54Å; A55-D58 PolarHBondContact O-N 2.94Å; A55-P60 HydrophobicContact CB-CG 4Å; A55-L63 HydrophobicContact CB-CD1 3.6Å; A55-R98 PolarHBondContact O-NH2 2.89Å
56	L	91.6	Very high	92.2	Very high	100 Å²	100	64 Å²	64	52%	0.524	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	128.7	-173.8	-69	177.1	0	0	0	113.2	K52 I53 L54 R98	K52-L56 WeakPolarHBondContact O-CG 3.49Å; I53-L56 PolarHBondContact O-N 3.46Å; L54-L56 PolarHBondContact O-N 3.39Å; L56-R98 PolarHBondContact O-NH1 3.23Å; L56-R98 PolarHBondContact O-NH2 2.94Å
57	P	90.7	Very high	92.4	Very high	108 Å²	108	60.8 Å²	60.8	70%	0.701	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.4	-7.9	21.1	34	-36.3	0	0	0	114.5
58	D	90.5	Very high	92.5	Very high	73 Å²	73	60.8 Å²	60.8	39%	0.39	33%	0.334	S	S	.	.	S	Bend	trans	-76.2	157.4	-176.2	-55.9	-55.7	0	0	0	111.4	A55 L63 R98	A55-D58 CarbonylContact C-O 3.54Å; A55-D58 PolarHBondContact O-N 2.94Å; D58-L63 HydrophobicContact CB-CD2 4Å; D58-L63 HydrophobicContact CB-CG 4.23Å; D58-R98 IonicContact OD2-NH2 3.35Å
59	K	90.8	Very high	92.4	Very high	155 Å²	155	59.2 Å²	59.2	67%	0.674	33%	0.329	S	S	*	.			trans	-80.2	140.9	171.5	-66.2	179.8	-178.8	175.5	0	108.2	I61 S62	K59-I61 HydrophobicContact CB-CG2 4.07Å; K59-I61 PolarHBondContact O-N 3.03Å; K59-I61 VanDerWaalsContact O-N 3.09Å; K59-S62 PolarHBondContact N-OG 3.31Å; K59-S62 PolarHBondContact O-N 3.16Å; K59-S62 PolarHBondContact O-OG 3.24Å
60	P	91.5	Very high	92.5	Very high	8 Å²	8	60.7 Å²	60.7	5%	0.052	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-52.9	-37.8	178.1	-30.2	36.3	0	0	0	113.5	L40 T51 K52 A55 S62 L63 L68	L40-P60 HydrophobicContact CD1-CB 3.8Å; L40-P60 HydrophobicContact CD2-CB 3.68Å; L40-P60 HydrophobicContact CG-CB 4.42Å; T51-P60 HydrophobicContact CG2-CB 4.04Å; T51-P60 HydrophobicContact CG2-CG 4.33Å; K52-P60 HydrophobicContact CB-CG 4.24Å; A55-P60 HydrophobicContact CB-CG 4Å; P60-S62 PolarHBondContact O-N 2.68Å; P60-L63 PolarHBondContact O-N 3.27Å; P60-L68 HydrophobicContact CB-CD2 4.4Å
61	I	91.5	Very high	92.5	Very high	81 Å²	81	62.2 Å²	62.2	42%	0.415	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-66.2	-19.3	180	-164.5	60.6	0	0	0	114.1	V36 A37 L40 K59	V36-I61 HydrophobicContact CG1-CD1 4.13Å; A37-I61 HydrophobicContact CB-CD1 3.84Å; L40-I61 HydrophobicContact CD1-CB 4.18Å; L40-I61 HydrophobicContact CD1-CD1 4.06Å; K59-I61 HydrophobicContact CB-CG2 4.07Å; K59-I61 PolarHBondContact O-N 3.03Å; K59-I61 VanDerWaalsContact O-N 3.09Å
62	S	90.8	Very high	92.5	Very high	79 Å²	79	62.2 Å²	62.2	55%	0.552	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-92.4	-6.5	178.9	59.5	0	0	0	0	113.6	K59 P60	K59-S62 PolarHBondContact N-OG 3.31Å; K59-S62 PolarHBondContact O-N 3.16Å; K59-S62 PolarHBondContact O-OG 3.24Å; P60-S62 PolarHBondContact O-N 2.68Å
63	L	91.2	Very high	92.5	Very high	23 Å²	23	57.5 Å²	57.5	12%	0.12	32%	0.318	C	S	.	.	S	Bend	trans	-93	142.2	179	-65	177.3	0	0	0	110.6	V36 A55 D58 P60 T67 L68 L71	V36-L63 WeakPolarHBondContact CG2-O 3.47Å; A55-L63 HydrophobicContact CB-CD1 3.6Å; D58-L63 HydrophobicContact CB-CD2 4Å; D58-L63 HydrophobicContact CB-CG 4.23Å; P60-L63 PolarHBondContact O-N 3.27Å; L63-T67 HydrophobicContact CD1-CG2 4.41Å; L63-T67 HydrophobicContact CD2-CG2 4.45Å; L63-L68 HydrophobicContact CB-CD2 3.85Å; L63-L68 HydrophobicContact CB-CG 4.04Å; L63-L68 HydrophobicContact CD1-CD2 3.85Å; L63-L68 HydrophobicContact CG-CD2 4.45Å; L63-L71 HydrophobicContact CD1-CD1 4.09Å
64	P	91.8	Very high	92.4	Very high	81 Å²	81	56.4 Å²	56.4	53%	0.526	31%	0.313	S	S	.	.			trans	-58.4	148.6	172	-22.2	32.5	0	0	0	111.8	A66 T67 L68	P64-A66 PolarHBondContact O-N 3.27Å; P64-T67 WeakPolarHBondContact O-CA 3.25Å; P64-T67 WeakPolarHBondContact O-CB 3.11Å; P64-T67 PolarHBondContact O-N 3.18Å; P64-L68 PolarHBondContact O-N 3.49Å; P64-L68 VanDerWaalsContact O-N 3.13Å
65	Y	92.3	Very high	92.3	Very high	31 Å²	31	56.7 Å²	56.7	12%	0.122	31%	0.313	C	S	.	.	H	α-helix	trans	-52.2	-43.3	177.1	165.9	-106.6	0	0	0	112.3	F20 E21 F39 T67 L68 K69	F20-Y65 AromaticContact CD1-CE2 3.64Å; F20-Y65 HydrophobicContact CD1-CE2 3.64Å; F20-Y65 AromaticContact CD1-CZ 3.84Å; F20-Y65 AromaticContact CE1-CD2 3.95Å; F20-Y65 HydrophobicContact CE1-CD2 3.95Å; F20-Y65 AromaticContact CE1-CE2 3.46Å; F20-Y65 HydrophobicContact CE1-CE2 3.46Å; F20-Y65 VanDerWaalsContact CE1-CE2 3.46Å; F20-Y65 AromaticContact CE1-CZ 3.95Å; E21-Y65 HydrophobicContact CG-CE1 4.29Å; E21-Y65 WeakPolarHBondContact CG-OH 3.21Å; E21-Y65 WeakPolarHBondContact OE1-CE1 3.3Å; E21-Y65 PolarHBondContact OE1-OH 3.05Å; F39-Y65 HydrophobicContact CB-CD2 4.22Å; F39-Y65 HydrophobicContact CD1-CD2 4.32Å; F39-Y65 HydrophobicContact CD2-CD2 4.07Å; F39-Y65 AromaticContact CD2-CE2 3.61Å; F39-Y65 HydrophobicContact CD2-CE2 3.61Å; F39-Y65 AromaticContact CE2-CE2 3.84Å; F39-Y65 HydrophobicContact CE2-CE2 3.84Å; F39-Y65 AromaticContact CG-CD2 3.94Å; F39-Y65 HydrophobicContact CG-CD2 3.94Å; F39-Y65 AromaticContact CG-CE2 3.97Å; F39-Y65 HydrophobicContact CG-CE2 3.97Å; F39-Y65 HydrophobicContact CZ-CE2 4.39Å; Y65-T67 VanDerWaalsContact C-N 3.26Å; Y65-T67 PolarHBondContact O-N 2.79Å; Y65-L68 PolarHBondContact O-N 3.38Å; Y65-L68 VanDerWaalsContact O-N 3.12Å; Y65-K69 HydrophobicContact CE1-CD 4.26Å; Y65-K69 HydrophobicContact CE2-CB 4.45Å; Y65-K69 WeakPolarHBondContact O-CB 3.21Å; Y65-K69 PolarHBondContact O-N 3.32Å
66	A	92.5	Very high	92.1	Very high	70 Å²	70	56.8 Å²	56.8	58%	0.579	31%	0.314	S	S	*	.	H	α-helix	trans	-57	-39	177.2	0	0	0	0	0	112.7	P64 Q70	P64-A66 PolarHBondContact O-N 3.27Å; A66-Q70 WeakPolarHBondContact O-CB 3.43Å; A66-Q70 PolarHBondContact O-N 3.42Å
67	T	93.8	Very high	91.9	Very high	58 Å²	58	56.6 Å²	56.6	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-68.4	-43.5	176.7	-53.1	0	0	0	0	111.2	L63 P64 Y65 Q70 L71	L63-T67 HydrophobicContact CD1-CG2 4.41Å; L63-T67 HydrophobicContact CD2-CG2 4.45Å; P64-T67 WeakPolarHBondContact O-CA 3.25Å; P64-T67 WeakPolarHBondContact O-CB 3.11Å; P64-T67 PolarHBondContact O-N 3.18Å; Y65-T67 VanDerWaalsContact C-N 3.26Å; Y65-T67 PolarHBondContact O-N 2.79Å; T67-Q70 PolarHBondContact O-N 3.1Å; T67-L71 HydrophobicContact CG2-CD1 4.34Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.48Å; T67-L71 PolarHBondContact O-N 2.75Å
68	L	94	Very high	91.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.1	-44	178.1	-64.1	177.5	0	0	0	112.4	V36 F39 L40 T51 P60 L63 P64 Y65 Q70 L71 L72	V36-L68 HydrophobicContact CG1-CD1 3.55Å; F39-L68 HydrophobicContact CD1-CB 4.36Å; F39-L68 HydrophobicContact CD1-CD1 4.14Å; F39-L68 HydrophobicContact CE1-CB 3.98Å; F39-L68 HydrophobicContact CE1-CD1 4.49Å; L40-L68 HydrophobicContact CD2-CD1 4.17Å; L40-L68 HydrophobicContact CG-CD1 4.39Å; T51-L68 HydrophobicContact CG2-CD2 3.64Å; P60-L68 HydrophobicContact CB-CD2 4.4Å; L63-L68 HydrophobicContact CB-CD2 3.85Å; L63-L68 HydrophobicContact CB-CG 4.04Å; L63-L68 HydrophobicContact CD1-CD2 3.85Å; L63-L68 HydrophobicContact CG-CD2 4.45Å; P64-L68 PolarHBondContact O-N 3.49Å; P64-L68 VanDerWaalsContact O-N 3.13Å; Y65-L68 PolarHBondContact O-N 3.38Å; Y65-L68 VanDerWaalsContact O-N 3.12Å; L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-Q70 PolarHBondContact O-N 3.15Å; L68-L71 PolarHBondContact O-N 3.33Å; L68-L72 PolarHBondContact O-N 3.11Å; L68-L72 VanDerWaalsContact O-N 3.12Å
69	K	93.9	Very high	91.3	Very high	60 Å²	60	54.7 Å²	54.7	26%	0.261	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-46.6	173.9	-177.7	-179.8	-177.6	176.1	0	110.4	M17 E21 Y65 L72 L73	M17-K69 HydrophobicContact CG-CG 4.42Å; M17-K69 HydrophobicContact SD-CG 4.12Å; E21-K69 IonicContact OE1-NZ 2.65Å; E21-K69 PolarHBondContact OE1-NZ 2.83Å; E21-K69 IonicContact OE2-NZ 3.35Å; E21-K69 PolarHBondContact OE2-NZ 3.43Å; Y65-K69 HydrophobicContact CE1-CD 4.26Å; Y65-K69 HydrophobicContact CE2-CB 4.45Å; Y65-K69 WeakPolarHBondContact O-CB 3.21Å; Y65-K69 PolarHBondContact O-N 3.32Å; K69-L72 PolarHBondContact O-N 2.97Å; K69-L73 VanDerWaalsContact O-CB 3.25Å; K69-L73 WeakPolarHBondContact O-CB 3.29Å; K69-L73 PolarHBondContact O-N 3.11Å
70	Q	94.4	Very high	90.5	Very high	87 Å²	87	50.9 Å²	50.9	41%	0.407	28%	0.277	S	S	.	.	H	α-helix	trans	-65.6	-42.6	179.8	-169	62.8	45.2	0	0	112.6	A66 T67 L68 L72 L73 D74	A66-Q70 WeakPolarHBondContact O-CB 3.43Å; A66-Q70 PolarHBondContact O-N 3.42Å; T67-Q70 PolarHBondContact O-N 3.1Å; L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-Q70 PolarHBondContact O-N 3.15Å; Q70-L72 VanDerWaalsContact C-N 3.33Å; Q70-L72 PolarHBondContact O-N 2.98Å; Q70-L73 PolarHBondContact O-N 3.07Å; Q70-D74 PolarHBondContact NE2-OD1 3.4Å; Q70-D74 WeakPolarHBondContact O-CB 3.41Å; Q70-D74 VanDerWaalsContact O-CG 3.25Å; Q70-D74 PolarHBondContact O-N 3.42Å
71	L	94.7	Very high	89.4	Confident	40 Å²	40	53.9 Å²	53.9	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-45.3	177.4	-75.4	172	0	0	0	111.7	L54 L63 T67 L68 H75	L54-L71 HydrophobicContact CB-CB 4.25Å; L54-L71 HydrophobicContact CB-CD1 4.35Å; L54-L71 HydrophobicContact CB-CD2 4.41Å; L54-L71 HydrophobicContact CD1-CB 4.29Å; L63-L71 HydrophobicContact CD1-CD1 4.09Å; T67-L71 HydrophobicContact CG2-CD1 4.34Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.48Å; T67-L71 PolarHBondContact O-N 2.75Å; L68-L71 PolarHBondContact O-N 3.33Å; L71-H75 PolarHBondContact O-N 3.16Å
72	L	94	Very high	87.7	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-68.8	-40.8	176.9	-70.8	169.1	0	0	0	111.7	L4 F13 M17 F39 L50 L54 L68 K69 Q70 D74 H75 V76	L4-L72 HydrophobicContact CD2-CD1 4.22Å; F13-L72 HydrophobicContact CE2-CB 3.67Å; F13-L72 HydrophobicContact CZ-CB 3.82Å; M17-L72 HydrophobicContact CE-CD1 4.31Å; F39-L72 HydrophobicContact CE1-CD1 3.97Å; F39-L72 HydrophobicContact CZ-CD1 3.72Å; L50-L72 HydrophobicContact CD2-CD2 3.79Å; L50-L72 HydrophobicContact CG-CD2 4.24Å; L54-L72 HydrophobicContact CD1-CD2 4.35Å; L68-L72 PolarHBondContact O-N 3.11Å; L68-L72 VanDerWaalsContact O-N 3.12Å; K69-L72 PolarHBondContact O-N 2.97Å; Q70-L72 VanDerWaalsContact C-N 3.33Å; Q70-L72 PolarHBondContact O-N 2.98Å; L72-D74 VanDerWaalsContact C-N 3.35Å; L72-D74 PolarHBondContact O-N 2.86Å; L72-H75 WeakPolarHBondContact O-CB 3.48Å; L72-H75 PolarHBondContact O-N 3.14Å; L72-V76 WeakPolarHBondContact O-CG2 3.49Å; L72-V76 PolarHBondContact O-N 3.16Å
73	L	92.5	Very high	85.6	Confident	21 Å²	21	57 Å²	57	11%	0.11	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-43.5	176.3	-179.1	66.5	0	0	0	111.9	F10 F13 K69 Q70 H75 V76 K77	F10-L73 HydrophobicContact CD2-CD1 4.27Å; F10-L73 HydrophobicContact CE2-CD1 3.46Å; F10-L73 VanDerWaalsContact CE2-CD1 3.46Å; F10-L73 HydrophobicContact CZ-CD1 4.17Å; F13-L73 HydrophobicContact CD1-CD1 3.89Å; F13-L73 HydrophobicContact CE1-CB 3.84Å; F13-L73 HydrophobicContact CE1-CD1 3.63Å; F13-L73 HydrophobicContact CE1-CG 4.34Å; F13-L73 HydrophobicContact CZ-CB 4.08Å; K69-L73 VanDerWaalsContact O-CB 3.25Å; K69-L73 WeakPolarHBondContact O-CB 3.29Å; K69-L73 PolarHBondContact O-N 3.11Å; Q70-L73 PolarHBondContact O-N 3.07Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.25Å; L73-V76 PolarHBondContact O-N 2.92Å; L73-K77 HydrophobicContact CG-CD 4.21Å; L73-K77 WeakPolarHBondContact O-CB 3.26Å; L73-K77 VanDerWaalsContact O-CG 3.3Å; L73-K77 WeakPolarHBondContact O-CG 3.33Å; L73-K77 PolarHBondContact O-N 2.88Å
74	D	91.2	Very high	83.3	Confident	67 Å²	67	58.9 Å²	58.9	36%	0.358	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-39	177.9	-72	-16.2	0	0	0	111	Q70 L72 K77 Y78	Q70-D74 PolarHBondContact NE2-OD1 3.4Å; Q70-D74 WeakPolarHBondContact O-CB 3.41Å; Q70-D74 VanDerWaalsContact O-CG 3.25Å; Q70-D74 PolarHBondContact O-N 3.42Å; L72-D74 VanDerWaalsContact C-N 3.35Å; L72-D74 PolarHBondContact O-N 2.86Å; D74-K77 PolarHBondContact O-N 3.39Å; D74-Y78 VanDerWaalsContact O-CB 3.25Å; D74-Y78 WeakPolarHBondContact O-CB 3.28Å; D74-Y78 PolarHBondContact O-N 3.48Å
75	H	90.7	Very high	81	Confident	47 Å²	47	64.7 Å²	64.7	22%	0.218	36%	0.357	C	S	.	.	H	α-helix	trans	-66	-44.4	174.7	-175	77	0	0	0	112.5	L50 L54 L71 L72 L73 Y78 T79	L50-H75 HydrophobicContact CD2-CB 4.47Å; L50-H75 WeakPolarHBondContact CD2-CD2 3.47Å; L54-H75 HydrophobicContact CD1-CB 4.09Å; L71-H75 PolarHBondContact O-N 3.16Å; L72-H75 WeakPolarHBondContact O-CB 3.48Å; L72-H75 PolarHBondContact O-N 3.14Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.25Å; H75-Y78 PolarHBondContact O-N 3.5Å; H75-T79 WeakPolarHBondContact O-CG2 3.13Å; H75-T79 PolarHBondContact O-N 2.68Å; H75-T79 PolarHBondContact O-OG1 3.18Å
76	V	89.5	Confident	78.1	Confident	3 Å²	3	73.5 Å²	73.5	2%	0.018	40%	0.396	C	S	.	.	H	α-helix	trans	-65.7	-38.4	176.7	172.9	0	0	0	0	111.1	F10 F13 L72 L73 T79 N80	F10-V76 HydrophobicContact CD2-CG1 4.5Å; F13-V76 HydrophobicContact CB-CG1 4.06Å; F13-V76 HydrophobicContact CB-CG2 4.44Å; F13-V76 HydrophobicContact CD2-CB 4.49Å; F13-V76 HydrophobicContact CD2-CG2 3.7Å; F13-V76 HydrophobicContact CE2-CG2 4.15Å; F13-V76 HydrophobicContact CG-CB 4.46Å; F13-V76 HydrophobicContact CG-CG1 4.31Å; F13-V76 HydrophobicContact CG-CG2 4.1Å; L72-V76 WeakPolarHBondContact O-CG2 3.49Å; L72-V76 PolarHBondContact O-N 3.16Å; L73-V76 PolarHBondContact O-N 2.92Å; V76-T79 WeakPolarHBondContact CA-OG1 3.13Å; V76-T79 PolarHBondContact O-OG1 3.43Å; V76-N80 VanDerWaalsContact CG1-ND2 3.27Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.24Å; V76-N80 VanDerWaalsContact O-CB 3.29Å; V76-N80 WeakPolarHBondContact O-CB 3.31Å; V76-N80 PolarHBondContact O-N 3.47Å; V76-N80 PolarHBondContact O-ND2 3.2Å
77	K	88.3	Confident	75.2	Confident	95 Å²	95	73.3 Å²	73.3	41%	0.413	40%	0.401	S	S	.	.	H	α-helix	trans	-65	-43.3	174.2	-77.2	176.3	-179.5	176.6	0	111.8	F10 L73 D74 S81	F10-K77 HydrophobicContact CD2-CG 4.1Å; F10-K77 HydrophobicContact CE2-CD 4.39Å; F10-K77 HydrophobicContact CE2-CG 3.88Å; L73-K77 HydrophobicContact CG-CD 4.21Å; L73-K77 WeakPolarHBondContact O-CB 3.26Å; L73-K77 VanDerWaalsContact O-CG 3.3Å; L73-K77 WeakPolarHBondContact O-CG 3.33Å; L73-K77 PolarHBondContact O-N 2.88Å; D74-K77 PolarHBondContact O-N 3.39Å; K77-S81 WeakPolarHBondContact O-CB 3.2Å; K77-S81 PolarHBondContact O-N 3.16Å; K77-S81 PolarHBondContact O-OG 2.85Å; K77-S81 VanDerWaalsContact O-OG 3.07Å
78	Y	86.3	Confident	72.2	Confident	79 Å²	79	80.8 Å²	80.8	31%	0.31	43%	0.428	S	S	.	.	H	α-helix	trans	-59.6	-56.2	178.5	176.1	-107.3	0	0	0	110.9	D74 H75 N80 S81 E82 E130	D74-Y78 VanDerWaalsContact O-CB 3.25Å; D74-Y78 WeakPolarHBondContact O-CB 3.28Å; D74-Y78 PolarHBondContact O-N 3.48Å; H75-Y78 PolarHBondContact O-N 3.5Å; Y78-N80 VanDerWaalsContact C-N 3.33Å; Y78-N80 PolarHBondContact O-N 3.31Å; Y78-S81 PolarHBondContact O-N 3.37Å; Y78-S81 PolarHBondContact O-OG 2.83Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.12Å; Y78-E82 WeakPolarHBondContact CE2-OE1 3.39Å; Y78-E82 WeakPolarHBondContact CE2-OE2 3.44Å; Y78-E82 VanDerWaalsContact CZ-CD 3.45Å; Y78-E82 PolarHBondContact O-N 3.46Å; Y78-E82 VanDerWaalsContact O-N 3.11Å; Y78-E82 PolarHBondContact OH-OE1 3.45Å; Y78-E82 PolarHBondContact OH-OE2 2.9Å; Y78-E130 PolarHBondContact OH-OE1 2.89Å; Y78-E130 PolarHBondContact OH-OE2 2.84Å
79	T	81.5	Confident	69.5	Low	62 Å²	62	86.1 Å²	86.1	38%	0.38	47%	0.466	S	S	.	.	H	α-helix	trans	-57.9	-39.7	178.3	49.8	0	0	0	0	113.1	H75 V76	H75-T79 WeakPolarHBondContact O-CG2 3.13Å; H75-T79 PolarHBondContact O-N 2.68Å; H75-T79 PolarHBondContact O-OG1 3.18Å; V76-T79 WeakPolarHBondContact CA-OG1 3.13Å; V76-T79 PolarHBondContact O-OG1 3.43Å
80	N	73.8	Confident	66.7	Low	76 Å²	76	90.4 Å²	90.4	41%	0.406	49%	0.492	S	S	.	.	H	α-helix	trans	-75.2	-25.9	175.9	-75.1	-60.5	0	0	0	113.7	F10 V76 Y78	F10-N80 PolarHBondContact N-ND2 3.12Å; V76-N80 VanDerWaalsContact CG1-ND2 3.27Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.24Å; V76-N80 VanDerWaalsContact O-CB 3.29Å; V76-N80 WeakPolarHBondContact O-CB 3.31Å; V76-N80 PolarHBondContact O-N 3.47Å; V76-N80 PolarHBondContact O-ND2 3.2Å; Y78-N80 VanDerWaalsContact C-N 3.33Å; Y78-N80 PolarHBondContact O-N 3.31Å
81	S	68.1	Low	63.8	Low	71 Å²	71	96.4 Å²	96.4	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-82.3	-26.7	-178.3	70.3	0	0	0	0	113.9	K77 Y78 C83	K77-S81 WeakPolarHBondContact O-CB 3.2Å; K77-S81 PolarHBondContact O-N 3.16Å; K77-S81 PolarHBondContact O-OG 2.85Å; K77-S81 VanDerWaalsContact O-OG 3.07Å; Y78-S81 PolarHBondContact O-N 3.37Å; Y78-S81 PolarHBondContact O-OG 2.83Å; S81-C83 VanDerWaalsContact C-N 3.32Å; S81-C83 PolarHBondContact O-N 3.37Å
82	E	56	Low	60.9	Low	98 Å²	98	102.4 Å²	102.4	46%	0.458	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	0.4	-172.1	-116	158	-162.4	0	0	115.1	Y78	Y78-E82 WeakPolarHBondContact CE1-OE2 3.12Å; Y78-E82 WeakPolarHBondContact CE2-OE1 3.39Å; Y78-E82 WeakPolarHBondContact CE2-OE2 3.44Å; Y78-E82 VanDerWaalsContact CZ-CD 3.45Å; Y78-E82 PolarHBondContact O-N 3.46Å; Y78-E82 VanDerWaalsContact O-N 3.11Å; Y78-E82 PolarHBondContact OH-OE1 3.45Å; Y78-E82 PolarHBondContact OH-OE2 2.9Å
83	C	47.1	Very low	57.9	Low	127 Å²	127	106.4 Å²	106.4	86%	0.858	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	4.5	173.6	-161.9	0	0	0	0	114.2	S81	S81-C83 VanDerWaalsContact C-N 3.32Å; S81-C83 PolarHBondContact O-N 3.37Å
84	G	42.8	Very low	55.4	Low	63 Å²	63	115.8 Å²	115.8	65%	0.649	60%	0.604	S	S	*	*	S	Bend	trans	-124.5	-11.1	-166.7	0	0	0	0	0	119
85	K	43	Very low	52.8	Low	203 Å²	203	119.6 Å²	119.6	88%	0.883	62%	0.62	S	S	*	*			trans	-132.5	93.6	-171.6	-68.6	-173.5	-177.1	174	0	114.2
86	K	32.8	Very low	50.2	Low	215 Å²	215	122.8 Å²	122.8	94%	0.935	64%	0.638	S	S	*	*			trans	-67.6	125.3	163.2	-161.5	178.1	-167.9	173.9	0	110.1
87	G	30.6	Very low	48	Very low	67 Å²	67	129.7 Å²	129.7	69%	0.691	67%	0.674	S	S	*	*	S	Bend	trans	100.9	119.2	147.7	0	0	0	0	0	119
88	K	30.2	Very low	45.6	Very low	214 Å²	214	131.7 Å²	131.7	93%	0.93	68%	0.679	S	S	*	*			trans	51.7	88.6	146.4	-63.1	179.9	178.3	177	0	117.8
89	S	37.7	Very low	42.9	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	69%	0.689	S	S	*	*			trans	-166.3	116.3	135.9	41.9	0	0	0	0	111.8
90	D	35.9	Very low	40.5	Very low	149 Å²	149	135.1 Å²	135.1	80%	0.797	71%	0.709	S	S	*	*			trans	38.1	112.9	146.5	-62.3	-32.6	0	0	0	121.3	M92	D90-M92 PolarHBondContact O-N 3Å; D90-M92 VanDerWaalsContact O-N 3.08Å
91	K	32.2	Very low	38.5	Very low	213 Å²	213	137 Å²	137	93%	0.926	72%	0.723	S	S	*	*			trans	-2.3	94.3	140.5	-68.5	175.4	176.8	175.8	0	114.6
92	M	35.3	Very low	36.8	Very low	166 Å²	166	144.8 Å²	144.8	82%	0.818	74%	0.743	S	S	*	*			trans	-150.3	89.1	162.6	-159.7	74.7	165	0	0	110.6	D90	D90-M92 PolarHBondContact O-N 3Å; D90-M92 VanDerWaalsContact O-N 3.08Å
93	T	29.7	Very low	35.4	Very low	86 Å²	86	144.7 Å²	144.7	53%	0.528	75%	0.754	S	S	.	*			trans	48.6	91.1	136.7	-28.9	0	0	0	0	118.3	N96	T93-N96 VanDerWaalsContact CG2-ND2 3.27Å; T93-N96 WeakPolarHBondContact CG2-ND2 3.07Å
94	R	40.8	Very low	34.4	Very low	217 Å²	217	146.5 Å²	146.5	82%	0.819	76%	0.755	S	S	*	*			trans	-126.6	59.2	151.9	-81.1	-170.5	-173.5	163.5	2.1	111.5
95	Q	36.7	Very low	33.6	Very low	147 Å²	147	148.7 Å²	148.7	69%	0.687	76%	0.76	S	S	*	*			trans	-100.3	17.4	158.9	-138	173.1	7.5	0	0	111.2	N99	Q95-N99 PolarHBondContact O-ND2 3.24Å
96	N	36.5	Very low	32.8	Very low	114 Å²	114	144.3 Å²	144.3	61%	0.61	75%	0.754	S	S	*	*			trans	-120.5	12.8	-155.1	-78.6	0.3	0	0	0	117.6	T93	T93-N96 VanDerWaalsContact CG2-ND2 3.27Å; T93-N96 WeakPolarHBondContact CG2-ND2 3.07Å
97	I	43.2	Very low	32.4	Very low	149 Å²	149	145.5 Å²	145.5	76%	0.764	75%	0.752	S	S	*	*	S	Bend	trans	-94.9	-9.3	174.6	-57.4	-179.7	0	0	0	112.5
98	R	36.2	Very low	32.2	Very low	137 Å²	137	147.9 Å²	147.9	52%	0.517	76%	0.758	S	S	.	*	S	Bend	trans	-139.6	2.9	177.8	-130.7	177.7	-165.4	135.6	-1.6	118.2	L54 A55 L56 D58	L54-R98 PolarHBondContact O-NH1 3.02Å; A55-R98 PolarHBondContact O-NH2 2.89Å; L56-R98 PolarHBondContact O-NH1 3.23Å; L56-R98 PolarHBondContact O-NH2 2.94Å; D58-R98 IonicContact OD2-NH2 3.35Å
99	N	31	Very low	32.2	Very low	100 Å²	100	142 Å²	142	54%	0.535	75%	0.745	S	S	.	*			trans	-107.6	25	-170.8	-71	-11	0	0	0	115.8	Q95	Q95-N99 PolarHBondContact O-ND2 3.24Å
100	S	31.3	Very low	32	Very low	112 Å²	112	143 Å²	143	78%	0.783	74%	0.738	S	S	*	*	S	Bend	trans	-93.6	8	-173.1	60.2	0	0	0	0	116.5
101	T	31.8	Very low	31.7	Very low	117 Å²	117	145.6 Å²	145.6	72%	0.718	74%	0.737	S	S	*	*	S	Bend	trans	-138.6	0.9	-176.2	-20.7	0	0	0	0	117.6
102	Y	31.2	Very low	31.5	Very low	234 Å²	234	140.5 Å²	140.5	92%	0.918	72%	0.72	S	S	*	*			trans	-142.8	64.9	171.1	-83.2	-86.2	0	0	0	111.4
103	S	27.7	Very low	31.3	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	72%	0.717	S	S	*	*			trans	-100.1	136.6	158.5	-80.9	0	0	0	0	109
104	N	25.5	Very low	31.4	Very low	164 Å²	164	141.3 Å²	141.3	88%	0.877	73%	0.727	S	S	*	*			trans	95.8	87.5	172.3	-53	-30.5	0	0	0	116.4
105	S	26.1	Very low	31.1	Very low	109 Å²	109	141.7 Å²	141.7	76%	0.762	73%	0.73	S	S	*	*			trans	-164.7	127.5	131.5	-155.6	0	0	0	0	112.5
106	C	27	Very low	31	Very low	111 Å²	111	138.8 Å²	138.8	75%	0.75	73%	0.726	S	S	*	*			trans	65.1	108.5	160.2	-60.2	0	0	0	0	117.5
107	R	24.1	Very low	31.1	Very low	240 Å²	240	139 Å²	139	91%	0.906	73%	0.727	S	S	*	*			cis	49.9	126	31.5	-128.7	179.8	-163.2	-163.7	4.9	115.2
108	S	27	Very low	30.5	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	72%	0.723	S	S	*	*			trans	95.8	137.6	178.9	81.1	0	0	0	0	113.9
109	S	29.9	Very low	30.5	Very low	92 Å²	92	138.4 Å²	138.4	64%	0.643	74%	0.741	S	S	*	*			cis	-170.6	151.1	14.8	-149.1	0	0	0	0	111.4
110	M	33	Very low	30.4	Very low	133 Å²	133	139.1 Å²	139.1	66%	0.655	75%	0.754	S	S	*	*			trans	75.4	108.4	156.8	-55.4	-66.2	165.6	0	0	118.9
111	R	28.6	Very low	30.6	Very low	203 Å²	203	141.6 Å²	141.6	77%	0.766	76%	0.758	S	S	*	*				64.9	134.3	75.7	-71.5	-164.6	-113.6	-133.3	-3.6	113
112	N	29.1	Very low	30.6	Very low	107 Å²	107	139.1 Å²	139.1	57%	0.572	75%	0.745	S	S	*	*			cis	-168.5	151.6	4.7	-110.9	16	0	0	0	108.3
113	E	30	Very low	30.4	Very low	163 Å²	163	134.3 Å²	134.3	76%	0.762	74%	0.744	S	S	*	*			trans	57.6	140.7	135.7	-64.8	160.6	173.5	0	0	119.2
114	S	32.8	Very low	30.4	Very low	105 Å²	105	136.6 Å²	136.6	73%	0.734	74%	0.744	S	S	*	*			cis	-179.7	138.6	11.1	43.1	0	0	0	0	107.1
115	Y	35.1	Very low	30.7	Very low	225 Å²	225	135.5 Å²	135.5	88%	0.882	74%	0.744	S	S	*	*				165.4	126.3	123	-135.1	-100.1	0	0	0	110.5
116	S	34.8	Very low	31	Very low	86 Å²	86	135.3 Å²	135.3	60%	0.601	74%	0.738	S	S	*	*			trans	-77.8	158.9	-179.8	55.5	0	0	0	0	111.5
117	D	37	Very low	31.6	Very low	118 Å²	118	137 Å²	137	63%	0.631	73%	0.734	S	S	*	*				-174.7	133.5	91	-104.9	13.5	0	0	0	113.9
118	N	31.4	Very low	31.9	Very low	127 Å²	127	133.7 Å²	133.7	68%	0.679	74%	0.735	S	S	*	*			trans	78.6	83.3	135.8	-46.8	-21.5	0	0	0	120.6
119	T	36.3	Very low	32.4	Very low	147 Å²	147	133.5 Å²	133.5	90%	0.902	73%	0.725	S	S	*	*				-161.7	86.9	119.8	-63.1	0	0	0	0	108.1
120	S	28.3	Very low	32.6	Very low	115 Å²	115	135.1 Å²	135.1	80%	0.804	72%	0.722	S	S	*	*			trans	-78.3	109.3	167	52.8	0	0	0	0	109.3
121	L	36.5	Very low	33.2	Very low	164 Å²	164	134.7 Å²	134.7	86%	0.859	72%	0.718	S	S	*	*			trans	-120	120	141.9	-160.4	73.2	0	0	0	106.4
122	S	30.4	Very low	34	Very low	65 Å²	65	133.7 Å²	133.7	46%	0.455	72%	0.722	S	S	.	*			trans	-52.7	135.6	-166.3	36.3	0	0	0	0	112.5	E124	S122-E124 PolarHBondContact O-N 2.92Å; S122-E124 PolarHBondContact OG-OE1 3.36Å
123	C	27.3	Very low	34.9	Very low	133 Å²	133	135 Å²	135	90%	0.899	72%	0.723	S	S	*	*			trans	-62.4	72.6	148.2	51.5	0	0	0	0	108.3	T125	C123-T125 PolarHBondContact O-N 2.91Å
124	E	28.6	Very low	36.5	Very low	144 Å²	144	129.1 Å²	129.1	67%	0.673	70%	0.7	S	S	*	*			trans	-75.8	112.1	166.7	-98.2	154.3	-142.3	0	0	107.4	S122 V126	S122-E124 PolarHBondContact O-N 2.92Å; S122-E124 PolarHBondContact OG-OE1 3.36Å; E124-V126 HydrophobicContact CB-CG2 4.41Å; E124-V126 WeakPolarHBondContact O-CG2 3.44Å; E124-V126 PolarHBondContact O-N 3.3Å
125	T	30.8	Very low	38.9	Very low	142 Å²	142	130.6 Å²	130.6	87%	0.871	69%	0.693	S	S	*	*			trans	-39.2	101.4	162.7	43	0	0	0	0	110.9	C123	C123-T125 PolarHBondContact O-N 2.91Å
126	V	33.8	Very low	41.5	Very low	104 Å²	104	120 Å²	120	63%	0.63	65%	0.652	S	S	*	*			trans	-145.3	102.1	177	-177	0	0	0	0	107.7	E124	E124-V126 HydrophobicContact CB-CG2 4.41Å; E124-V126 WeakPolarHBondContact O-CG2 3.44Å; E124-V126 PolarHBondContact O-N 3.3Å
127	H	37.9	Very low	44	Very low	146 Å²	146	122.4 Å²	122.4	68%	0.676	66%	0.655	S	S	*	*			trans	72.4	88.6	167.4	-54.1	-55.8	0	0	0	117.7	D129	H127-D129 HydrophobicContact CB-CB 4.48Å; H127-D129 IonicContact CG-OD2 3.61Å; H127-D129 PolarHBondContact O-N 3.26Å
128	D	32	Very low	46.5	Very low	172 Å²	172	118.6 Å²	118.6	92%	0.92	63%	0.633	S	S	*	*			trans	-68.9	67.7	148.4	-72.5	-41.3	0	0	0	108.1	E130	D128-E130 PolarHBondContact O-N 2.83Å
129	D	37.9	Very low	49.3	Very low	113 Å²	113	112.9 Å²	112.9	60%	0.604	60%	0.603	S	S	*	*			trans	-84.2	111	169	-71.8	-16.8	0	0	0	107.2	H127 H131	H127-D129 HydrophobicContact CB-CB 4.48Å; H127-D129 IonicContact CG-OD2 3.61Å; H127-D129 PolarHBondContact O-N 3.26Å; D129-H131 PolarHBondContact O-N 3.13Å
130	E	34	Very low	51.7	Low	125 Å²	125	107.1 Å²	107.1	58%	0.584	57%	0.572	S	S	*	*			trans	-48.1	105.9	175.8	-67.2	154.9	177.2	0	0	110.2	Y78 D128 E132	Y78-E130 PolarHBondContact OH-OE1 2.89Å; Y78-E130 PolarHBondContact OH-OE2 2.84Å; D128-E130 PolarHBondContact O-N 2.83Å; E130-E132 PolarHBondContact O-N 3.43Å
131	H	44.1	Very low	54.4	Low	125 Å²	125	108.2 Å²	108.2	58%	0.579	56%	0.563	S	S	*	*			trans	-69	96.3	179.5	-80.1	-49.8	0	0	0	110.7	D129 F133 S134	D129-H131 PolarHBondContact O-N 3.13Å; H131-F133 PolarHBondContact O-N 3.39Å; H131-F133 VanDerWaalsContact O-N 3.14Å; H131-S134 WeakPolarHBondContact CB-OG 3.49Å; H131-S134 PolarHBondContact CD2-OG 3.07Å; H131-S134 PolarHBondContact CE1-OG 3.07Å; H131-S134 PolarHBondContact ND1-OG 3.26Å
132	E	45.1	Very low	56.8	Low	182 Å²	182	107.1 Å²	107.1	85%	0.85	55%	0.551	S	S	*	*	S	Bend	trans	-26.2	113	131.6	-170.9	-176.2	-137.3	0	0	107.9	E130 S134	E130-E132 PolarHBondContact O-N 3.43Å; E132-S134 VanDerWaalsContact C-N 3.26Å; E132-S134 VanDerWaalsContact O-CA 3.28Å; E132-S134 WeakPolarHBondContact O-CA 3.4Å; E132-S134 WeakPolarHBondContact O-CB 3.29Å; E132-S134 PolarHBondContact O-N 3.48Å
133	F	48.1	Very low	59.4	Low	134 Å²	134	106.8 Å²	106.8	59%	0.588	54%	0.542	S	S	*	.	S	Bend	trans	-35.8	84.8	-163.3	-71.2	-84.6	0	0	0	113.2	I53 H131 F142	I53-F133 HydrophobicContact CD1-CE1 4.05Å; I53-F133 HydrophobicContact CD1-CZ 4.41Å; H131-F133 PolarHBondContact O-N 3.39Å; H131-F133 VanDerWaalsContact O-N 3.14Å; F133-F142 HydrophobicContact CB-CD1 4.4Å; F133-F142 VanDerWaalsContact O-CE1 3.27Å; F133-F142 WeakPolarHBondContact O-CE1 3.49Å
134	S	64.3	Low	62	Low	39 Å²	39	104.9 Å²	104.9	27%	0.273	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-89.9	140.8	-168.3	67.7	0	0	0	0	107.2	H131 E132 C136	H131-S134 WeakPolarHBondContact CB-OG 3.49Å; H131-S134 PolarHBondContact CD2-OG 3.07Å; H131-S134 PolarHBondContact CE1-OG 3.07Å; H131-S134 PolarHBondContact ND1-OG 3.26Å; E132-S134 VanDerWaalsContact C-N 3.26Å; E132-S134 VanDerWaalsContact O-CA 3.28Å; E132-S134 WeakPolarHBondContact O-CA 3.4Å; E132-S134 WeakPolarHBondContact O-CB 3.29Å; E132-S134 PolarHBondContact O-N 3.48Å; S134-C136 PolarHBondContact O-N 2.75Å
135	K	83.9	Confident	64.7	Low	136 Å²	136	99.6 Å²	99.6	59%	0.591	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-57.6	127.7	172.1	-70.7	178.6	-178.6	174.8	0	107.8	M137 F142	K135-M137 PolarHBondContact O-N 3.48Å; K135-F142 HydrophobicContact CG-CD1 4.49Å; K135-F142 HydrophobicContact CG-CE1 3.9Å; K135-F142 HydrophobicContact CG-CE2 4.34Å; K135-F142 HydrophobicContact CG-CZ 3.82Å
136	C	88.5	Confident	67.2	Low	2 Å²	2	99.5 Å²	99.5	1%	0.014	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-51.5	125.4	-179.9	174.3	0	0	0	0	110.4	S134 F138 C139 G140 K141 H143	S134-C136 PolarHBondContact O-N 2.75Å; C136-F138 PolarHBondContact O-N 3.42Å; C136-F138 VanDerWaalsContact O-N 3.07Å; C136-F138 PolarHBondContact SG-N 3.26Å; C136-C139 PolarHBondContact O-N 3.39Å; C136-G140 VanDerWaalsContact O-CA 3.31Å; C136-G140 WeakPolarHBondContact O-CA 3.22Å; C136-G140 PolarHBondContact O-N 3.08Å; C136-K141 WeakPolarHBondContact CB-O 3.45Å; C136-K141 PolarHBondContact N-O 2.86Å; C136-H143 PolarHBondContact SG-CE1 3.18Å
137	M	87	Confident	69.7	Low	137 Å²	137	97.8 Å²	97.8	68%	0.675	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.2	-176.9	-62.9	-179.5	70	0	0	113.6	K135	K135-M137 PolarHBondContact O-N 3.48Å
138	F	90.5	Very high	72.1	Confident	38 Å²	38	91.4 Å²	91.4	17%	0.167	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-36	-178.5	-58.2	-69.5	0	0	0	113.2	C136 C145 C148 F150 R151 G162 H163 I164	C136-F138 PolarHBondContact O-N 3.42Å; C136-F138 VanDerWaalsContact O-N 3.07Å; C136-F138 PolarHBondContact SG-N 3.26Å; F138-C145 HydrophobicContact CD2-CB 4.28Å; F138-C145 HydrophobicContact CE2-CB 3.84Å; F138-C148 HydrophobicContact CB-CB 4.09Å; F138-C148 VanDerWaalsContact CB-SG 3.56Å; F138-C148 HydrophobicContact CD2-CB 3.91Å; F138-C148 HydrophobicContact CG-CB 4.31Å; F138-F150 HydrophobicContact CB-CB 4.42Å; F138-R151 HydrophobicContact CD1-CB 4.38Å; F138-R151 HydrophobicContact CD1-CG 4.34Å; F138-R151 HydrophobicContact CD2-CB 4.3Å; F138-R151 HydrophobicContact CD2-CG 4.35Å; F138-R151 HydrophobicContact CE1-CB 4.49Å; F138-R151 HydrophobicContact CE1-CG 3.97Å; F138-R151 HydrophobicContact CE2-CB 4.37Å; F138-R151 HydrophobicContact CE2-CG 3.93Å; F138-R151 HydrophobicContact CG-CB 4.34Å; F138-R151 HydrophobicContact CZ-CG 3.77Å; F138-G162 WeakPolarHBondContact CD1-O 3.42Å; F138-G162 WeakPolarHBondContact CE1-O 3.22Å; F138-H163 CarbonylContact O-C 3.5Å; F138-H163 WeakPolarHBondContact O-CA 3.28Å; F138-I164 PolarHBondContact O-N 3.31Å
139	C	90.8	Very high	74.8	Confident	8 Å²	8	90.2 Å²	90.2	5%	0.054	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-9.9	-169.9	76.1	0	0	0	0	115.7	C136 K141 H143 F150 I164	C136-C139 PolarHBondContact O-N 3.39Å; C139-K141 VanDerWaalsContact C-N 3.33Å; C139-K141 PolarHBondContact O-N 3.25Å; C139-K141 PolarHBondContact SG-N 3.22Å; C139-K141 VanDerWaalsContact SG-N 3.39Å; C139-H143 PolarHBondContact SG-NE2 3Å; C139-F150 HydrophobicContact CB-CB 4.27Å; C139-F150 HydrophobicContact CB-CD2 3.5Å; C139-F150 HydrophobicContact CB-CE2 4.23Å; C139-F150 HydrophobicContact CB-CG 4.22Å; C139-I164 HydrophobicContact CB-CD1 4.04Å
140	G	85.5	Confident	77.1	Confident	25 Å²	25	88.2 Å²	88.2	26%	0.258	44%	0.444	S	S	.	.	S	Bend	trans	79.2	3.5	-178.8	0	0	0	0	0	115.8	C136	C136-G140 VanDerWaalsContact O-CA 3.31Å; C136-G140 WeakPolarHBondContact O-CA 3.22Å; C136-G140 PolarHBondContact O-N 3.08Å
141	K	86.1	Confident	79.7	Confident	139 Å²	139	88.1 Å²	88.1	60%	0.604	44%	0.438	S	S	*	.	S	Bend	trans	-95.7	161.6	179.4	-59.7	-175	178.9	-176.4	0	112.5	C136 C139 H143	C136-K141 WeakPolarHBondContact CB-O 3.45Å; C136-K141 PolarHBondContact N-O 2.86Å; C139-K141 VanDerWaalsContact C-N 3.33Å; C139-K141 PolarHBondContact O-N 3.25Å; C139-K141 PolarHBondContact SG-N 3.22Å; C139-K141 VanDerWaalsContact SG-N 3.39Å; K141-H143 PolarHBondContact O-N 3.13Å
142	F	86.4	Confident	81.7	Confident	140 Å²	140	88.1 Å²	88.1	61%	0.614	44%	0.443	S	S	*	.	S	Bend	trans	-85.2	98.4	179.2	-63.8	-81	0	0	0	111.8	F133 K135	F133-F142 HydrophobicContact CB-CD1 4.4Å; F133-F142 VanDerWaalsContact O-CE1 3.27Å; F133-F142 WeakPolarHBondContact O-CE1 3.49Å; K135-F142 HydrophobicContact CG-CD1 4.49Å; K135-F142 HydrophobicContact CG-CE1 3.9Å; K135-F142 HydrophobicContact CG-CE2 4.34Å; K135-F142 HydrophobicContact CG-CZ 3.82Å
143	H	85.2	Confident	83.6	Confident	58 Å²	58	80.9 Å²	80.9	27%	0.269	41%	0.412	S	S	.	.	S	Bend	trans	-165	163.7	170.2	59.5	72.7	0	0	0	109.3	C136 C139 K141 C145 S147 C148	C136-H143 PolarHBondContact SG-CE1 3.18Å; C139-H143 PolarHBondContact SG-NE2 3Å; K141-H143 PolarHBondContact O-N 3.13Å; H143-C145 PolarHBondContact O-N 3.29Å; H143-S147 PolarHBondContact ND1-OG 2.88Å; H143-C148 VanDerWaalsContact CE1-CB 3.42Å; H143-C148 WeakPolarHBondContact CE1-CB 3.44Å; H143-C148 VanDerWaalsContact CE1-SG 3.52Å
144	P	82.7	Confident	85.6	Confident	93 Å²	93	81.8 Å²	81.8	60%	0.604	42%	0.416	S	S	*	.			trans	-56.9	133.9	174.6	-23.2	32.8	0	0	0	111.2	N146 S147	P144-N146 PolarHBondContact O-N 3.44Å; P144-N146 VanDerWaalsContact O-N 3.1Å; P144-S147 PolarHBondContact O-N 3.39Å; P144-S147 PolarHBondContact O-OG 2.77Å
145	C	85.2	Confident	86.9	Confident	34 Å²	34	80.1 Å²	80.1	23%	0.23	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-51.9	-34	177.8	-81.2	0	0	0	0	113.1	F138 H143 S147 C148	F138-C145 HydrophobicContact CD2-CB 4.28Å; F138-C145 HydrophobicContact CE2-CB 3.84Å; H143-C145 PolarHBondContact O-N 3.29Å; C145-S147 PolarHBondContact O-N 3.2Å; C145-C148 WeakPolarHBondContact O-CB 3.41Å; C145-C148 PolarHBondContact O-N 3.49Å
146	N	82.7	Confident	87.1	Confident	139 Å²	139	82.4 Å²	82.4	74%	0.743	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-67.6	-20.6	178	-64.1	-18.7	0	0	0	114.1	P144	P144-N146 PolarHBondContact O-N 3.44Å; P144-N146 VanDerWaalsContact O-N 3.1Å
147	S	85.1	Confident	87	Confident	69 Å²	69	86.4 Å²	86.4	48%	0.483	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-94.1	-0.8	179	67.3	0	0	0	0	113.7	H143 P144 C145 I149	H143-S147 PolarHBondContact ND1-OG 2.88Å; P144-S147 PolarHBondContact O-N 3.39Å; P144-S147 PolarHBondContact O-OG 2.77Å; C145-S147 PolarHBondContact O-N 3.2Å; S147-I149 PolarHBondContact O-N 3.38Å
148	C	89.2	Confident	87.2	Confident	11 Å²	11	81.5 Å²	81.5	7%	0.074	41%	0.41	C	S	.	.			trans	-72.6	123.5	-176	-160.1	0	0	0	0	112.5	F138 H143 C145 F150 R151	F138-C148 HydrophobicContact CB-CB 4.09Å; F138-C148 VanDerWaalsContact CB-SG 3.56Å; F138-C148 HydrophobicContact CD2-CB 3.91Å; F138-C148 HydrophobicContact CG-CB 4.31Å; H143-C148 VanDerWaalsContact CE1-CB 3.42Å; H143-C148 WeakPolarHBondContact CE1-CB 3.44Å; H143-C148 VanDerWaalsContact CE1-SG 3.52Å; C145-C148 WeakPolarHBondContact O-CB 3.41Å; C145-C148 PolarHBondContact O-N 3.49Å; C148-F150 PolarHBondContact O-N 3.29Å; C148-F150 PolarHBondContact SG-N 3.1Å; C148-F150 VanDerWaalsContact SG-N 3.42Å; C148-R151 HydrophobicContact CB-CB 4.29Å; C148-R151 VanDerWaalsContact O-CB 3.28Å; C148-R151 WeakPolarHBondContact O-CB 3.41Å; C148-R151 PolarHBondContact O-N 3.35Å
149	I	88.8	Confident	87	Confident	147 Å²	147	82.1 Å²	82.1	75%	0.754	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26	170.7	66.6	173.7	0	0	0	112.5	S147 R151	S147-I149 PolarHBondContact O-N 3.38Å; I149-R151 VanDerWaalsContact C-N 3.31Å
150	F	87.1	Confident	86.8	Confident	72 Å²	72	86.6 Å²	86.6	32%	0.316	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	6.2	-179.3	-57.8	-72.2	0	0	0	113.3	F138 C139 C148 N152 S153 I164	F138-F150 HydrophobicContact CB-CB 4.42Å; C139-F150 HydrophobicContact CB-CB 4.27Å; C139-F150 HydrophobicContact CB-CD2 3.5Å; C139-F150 HydrophobicContact CB-CE2 4.23Å; C139-F150 HydrophobicContact CB-CG 4.22Å; C148-F150 PolarHBondContact O-N 3.29Å; C148-F150 PolarHBondContact SG-N 3.1Å; C148-F150 VanDerWaalsContact SG-N 3.42Å; F150-N152 PolarHBondContact O-N 3.37Å; F150-N152 VanDerWaalsContact O-N 3.14Å; F150-S153 WeakPolarHBondContact CB-OG 3.41Å; F150-S153 PolarHBondContact O-N 3.31Å; F150-S153 VanDerWaalsContact O-N 3.11Å; F150-S153 PolarHBondContact O-OG 3.26Å; F150-I164 HydrophobicContact CB-CG2 3.67Å; F150-I164 HydrophobicContact CD1-CG2 3.48Å; F150-I164 VanDerWaalsContact CD1-CG2 3.48Å; F150-I164 HydrophobicContact CD2-CG2 4.39Å; F150-I164 HydrophobicContact CE1-CG2 4.2Å; F150-I164 HydrophobicContact CG-CG2 3.58Å
151	R	87.2	Confident	86.9	Confident	122 Å²	122	89 Å²	89	46%	0.46	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-36.9	-179.6	-177.2	174.7	179	-135.3	-0.9	112.9	F138 C148 I149	F138-R151 HydrophobicContact CD1-CB 4.38Å; F138-R151 HydrophobicContact CD1-CG 4.34Å; F138-R151 HydrophobicContact CD2-CB 4.3Å; F138-R151 HydrophobicContact CD2-CG 4.35Å; F138-R151 HydrophobicContact CE1-CB 4.49Å; F138-R151 HydrophobicContact CE1-CG 3.97Å; F138-R151 HydrophobicContact CE2-CB 4.37Å; F138-R151 HydrophobicContact CE2-CG 3.93Å; F138-R151 HydrophobicContact CG-CB 4.34Å; F138-R151 HydrophobicContact CZ-CG 3.77Å; C148-R151 HydrophobicContact CB-CB 4.29Å; C148-R151 VanDerWaalsContact O-CB 3.28Å; C148-R151 WeakPolarHBondContact O-CB 3.41Å; C148-R151 PolarHBondContact O-N 3.35Å; I149-R151 VanDerWaalsContact C-N 3.31Å
152	N	86	Confident	86.9	Confident	126 Å²	126	83.4 Å²	83.4	67%	0.674	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	13.4	-178.2	-59.8	-27.2	0	0	0	112.8	F150 T161	F150-N152 PolarHBondContact O-N 3.37Å; F150-N152 VanDerWaalsContact O-N 3.14Å; N152-T161 WeakPolarHBondContact O-CG2 3.46Å
153	S	86.1	Confident	87.2	Confident	30 Å²	30	78.2 Å²	78.2	21%	0.21	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-76.5	139.5	178.4	62	0	0	0	0	111.1	F150 G162	F150-S153 WeakPolarHBondContact CB-OG 3.41Å; F150-S153 PolarHBondContact O-N 3.31Å; F150-S153 VanDerWaalsContact O-N 3.11Å; F150-S153 PolarHBondContact O-OG 3.26Å; S153-G162 PolarHBondContact O-N 2.68Å; S153-G162 VanDerWaalsContact O-N 3.07Å
154	K	90.5	Very high	87.4	Confident	153 Å²	153	77.1 Å²	77.1	67%	0.665	41%	0.414	S	S	*	.	B	Isolated β-bridge	trans	-76.3	130	169.5	-70.6	-176	179.9	-179.2	0	109.8	F156	K154-F156 PolarHBondContact O-N 3.22Å
155	C	91.6	Very high	87.7	Confident	3 Å²	3	78.2 Å²	78.2	2%	0.02	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-67.6	126.4	176.3	178.2	0	0	0	0	111	K157 C158 G159 I160 H163 C168	C155-K157 PolarHBondContact O-N 3.2Å; C155-K157 PolarHBondContact SG-N 3.36Å; C155-K157 VanDerWaalsContact SG-N 3.35Å; C155-C158 VanDerWaalsContact SG-SG 3.68Å; C155-G159 VanDerWaalsContact O-CA 3.25Å; C155-G159 WeakPolarHBondContact O-CA 3Å; C155-G159 PolarHBondContact O-N 2.73Å; C155-I160 VanDerWaalsContact CB-O 3.31Å; C155-I160 WeakPolarHBondContact CB-O 3.28Å; C155-I160 PolarHBondContact N-O 3.32Å; C155-H163 WeakPolarHBondContact CA-O 3.31Å; C155-H163 WeakPolarHBondContact CB-NE2 3.17Å; C155-H163 WeakPolarHBondContact CB-O 3.42Å; C155-H163 PolarHBondContact N-O 3.01Å; C155-H163 PolarHBondContact SG-NE2 3.28Å; C155-C168 VanDerWaalsContact SG-CB 3.53Å
156	F	86.9	Confident	87.7	Confident	185 Å²	185	81 Å²	81	81%	0.811	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.8	176.9	-66.1	-76	0	0	0	114.1	K154 Q165	K154-F156 PolarHBondContact O-N 3.22Å; F156-Q165 HydrophobicContact CB-CB 4.44Å
157	K	86.4	Confident	87.9	Confident	86 Å²	86	76.3 Å²	76.3	37%	0.374	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-44.4	-178.9	-169.3	-173.9	-174.7	-159.4	0	113.4	C155 Q165 C168 T170 V172	C155-K157 PolarHBondContact O-N 3.2Å; C155-K157 PolarHBondContact SG-N 3.36Å; C155-K157 VanDerWaalsContact SG-N 3.35Å; K157-Q165 HydrophobicContact CB-CG 4.24Å; K157-C168 HydrophobicContact CB-CB 4.18Å; K157-C168 HydrophobicContact CD-CB 3.9Å; K157-C168 PolarHBondContact NZ-O 2.92Å; K157-T170 WeakPolarHBondContact CE-O 3.06Å; K157-T170 PolarHBondContact NZ-O 3.32Å; K157-V172 HydrophobicContact CG-CG2 4.14Å; K157-V172 WeakPolarHBondContact O-CG2 3.28Å
158	C	91.3	Very high	88.2	Confident	33 Å²	33	73.4 Å²	73.4	22%	0.223	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-7	-175.6	69.3	0	0	0	0	114.5	C155 I160 H163 C168 T170	C155-C158 VanDerWaalsContact SG-SG 3.68Å; C158-I160 HydrophobicContact CB-CG1 4.45Å; C158-I160 PolarHBondContact O-N 2.81Å; C158-H163 PolarHBondContact SG-CE1 2.79Å; C158-H163 PolarHBondContact SG-NE2 3.33Å; C158-C168 VanDerWaalsContact SG-SG 3.7Å; C158-T170 HydrophobicContact CB-CG2 3.81Å; C158-T170 WeakPolarHBondContact CB-OG1 3.25Å
159	G	86.6	Confident	87.9	Confident	51 Å²	51	80.6 Å²	80.6	53%	0.526	43%	0.425	S	S	.	.			trans	75.3	-6.8	-178.3	0	0	0	0	0	115.4	C155	C155-G159 VanDerWaalsContact O-CA 3.25Å; C155-G159 WeakPolarHBondContact O-CA 3Å; C155-G159 PolarHBondContact O-N 2.73Å
160	I	86.7	Confident	87.4	Confident	103 Å²	103	76.4 Å²	76.4	53%	0.528	41%	0.406	S	S	.	.			trans	-79.5	138	-178.7	-54.9	174	0	0	0	110.2	C155 C158	C155-I160 VanDerWaalsContact CB-O 3.31Å; C155-I160 WeakPolarHBondContact CB-O 3.28Å; C155-I160 PolarHBondContact N-O 3.32Å; C158-I160 HydrophobicContact CB-CG1 4.45Å; C158-I160 PolarHBondContact O-N 2.81Å
161	T	88.4	Confident	86.3	Confident	75 Å²	75	80.5 Å²	80.5	46%	0.46	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-74.3	143.6	174.9	-50.9	0	0	0	0	111.2	N152	N152-T161 WeakPolarHBondContact O-CG2 3.46Å
162	G	86.1	Confident	84.9	Confident	21 Å²	21	78 Å²	78	22%	0.216	43%	0.426	C	S	.	.	S	Bend	trans	109.1	16.8	171.5	0	0	0	0	0	114.9	F138 S153	F138-G162 WeakPolarHBondContact CD1-O 3.42Å; F138-G162 WeakPolarHBondContact CE1-O 3.22Å; S153-G162 PolarHBondContact O-N 2.68Å; S153-G162 VanDerWaalsContact O-N 3.07Å
163	H	91.3	Very high	82.9	Confident	32 Å²	32	79.8 Å²	79.8	15%	0.148	43%	0.43	C	S	.	.	S	Bend	trans	-167.3	160.7	167	64.7	-79.2	0	0	0	111.1	F138 C155 C158 V167 C168	F138-H163 CarbonylContact O-C 3.5Å; F138-H163 WeakPolarHBondContact O-CA 3.28Å; C155-H163 WeakPolarHBondContact CA-O 3.31Å; C155-H163 WeakPolarHBondContact CB-NE2 3.17Å; C155-H163 WeakPolarHBondContact CB-O 3.42Å; C155-H163 PolarHBondContact N-O 3.01Å; C155-H163 PolarHBondContact SG-NE2 3.28Å; C158-H163 PolarHBondContact SG-CE1 2.79Å; C158-H163 PolarHBondContact SG-NE2 3.33Å; H163-V167 HydrophobicContact CB-CG2 3.68Å; H163-C168 PolarHBondContact NE2-SG 3.17Å
164	I	90.1	Very high	80.7	Confident	35 Å²	35	87.2 Å²	87.2	18%	0.179	46%	0.459	C	S	.	.			trans	-94.6	165.5	173.4	65	178.5	0	0	0	112.2	F138 C139 F150 S166 V167 C168	F138-I164 PolarHBondContact O-N 3.31Å; C139-I164 HydrophobicContact CB-CD1 4.04Å; F150-I164 HydrophobicContact CB-CG2 3.67Å; F150-I164 HydrophobicContact CD1-CG2 3.48Å; F150-I164 VanDerWaalsContact CD1-CG2 3.48Å; F150-I164 HydrophobicContact CD2-CG2 4.39Å; F150-I164 HydrophobicContact CE1-CG2 4.2Å; F150-I164 HydrophobicContact CG-CG2 3.58Å; I164-S166 WeakPolarHBondContact CD1-OG 3.5Å; I164-S166 WeakPolarHBondContact CG1-OG 3.27Å; I164-S166 PolarHBondContact O-N 3.42Å; I164-S166 VanDerWaalsContact O-N 3.11Å; I164-V167 HydrophobicContact CG1-CG2 3.91Å; I164-V167 WeakPolarHBondContact O-CG2 3.27Å; I164-V167 PolarHBondContact O-N 3.28Å; I164-V167 VanDerWaalsContact O-N 3.11Å; I164-C168 PolarHBondContact O-N 3.49Å
165	Q	88.1	Confident	78.2	Confident	115 Å²	115	84.5 Å²	84.5	54%	0.537	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-53.3	-33.6	-179.7	178.1	171.8	11.4	0	0	113.7	F156 K157 V167 C168	F156-Q165 HydrophobicContact CB-CB 4.44Å; K157-Q165 HydrophobicContact CB-CG 4.24Å; Q165-V167 VanDerWaalsContact C-N 3.3Å; Q165-V167 PolarHBondContact O-N 2.9Å; Q165-C168 WeakPolarHBondContact O-CB 3.05Å; Q165-C168 PolarHBondContact O-N 3.1Å
166	S	85.1	Confident	75.5	Confident	93 Å²	93	92 Å²	92	65%	0.65	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-70.3	-21.3	-178	64.3	0	0	0	0	114.5	I164	I164-S166 WeakPolarHBondContact CD1-OG 3.5Å; I164-S166 WeakPolarHBondContact CG1-OG 3.27Å; I164-S166 PolarHBondContact O-N 3.42Å; I164-S166 VanDerWaalsContact O-N 3.11Å
167	V	88.3	Confident	73.1	Confident	41 Å²	41	88.5 Å²	88.5	25%	0.248	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-109.2	7.3	177.1	-67.5	0	0	0	0	112.1	H163 I164 Q165 N169	H163-V167 HydrophobicContact CB-CG2 3.68Å; I164-V167 HydrophobicContact CG1-CG2 3.91Å; I164-V167 WeakPolarHBondContact O-CG2 3.27Å; I164-V167 PolarHBondContact O-N 3.28Å; I164-V167 VanDerWaalsContact O-N 3.11Å; Q165-V167 VanDerWaalsContact C-N 3.3Å; Q165-V167 PolarHBondContact O-N 2.9Å; V167-N169 PolarHBondContact O-N 2.98Å
168	C	90.3	Very high	70.5	Confident	8 Å²	8	91 Å²	91	5%	0.054	52%	0.516	C	S	.	.			trans	-80.4	113.1	-176	-173.3	0	0	0	0	112.7	C155 K157 C158 H163 I164 Q165	C155-C168 VanDerWaalsContact SG-CB 3.53Å; K157-C168 HydrophobicContact CB-CB 4.18Å; K157-C168 HydrophobicContact CD-CB 3.9Å; K157-C168 PolarHBondContact NZ-O 2.92Å; C158-C168 VanDerWaalsContact SG-SG 3.7Å; H163-C168 PolarHBondContact NE2-SG 3.17Å; I164-C168 PolarHBondContact O-N 3.49Å; Q165-C168 WeakPolarHBondContact O-CB 3.05Å; Q165-C168 PolarHBondContact O-N 3.1Å
169	N	82.6	Confident	68	Low	162 Å²	162	93.4 Å²	93.4	87%	0.866	54%	0.538	S	S	*	.			trans	-87.1	-2.6	177.6	-67	-18.2	0	0	0	114.2	V167 M171	V167-N169 PolarHBondContact O-N 2.98Å; N169-M171 PolarHBondContact O-N 3.41Å
170	T	78.3	Confident	65.7	Low	59 Å²	59	99.7 Å²	99.7	36%	0.362	55%	0.551	S	S	.	*			trans	-67.3	127.2	179	-49.1	0	0	0	0	110.8	K157 C158	K157-T170 WeakPolarHBondContact CE-O 3.06Å; K157-T170 PolarHBondContact NZ-O 3.32Å; C158-T170 HydrophobicContact CB-CG2 3.81Å; C158-T170 WeakPolarHBondContact CB-OG1 3.25Å
171	M	64.9	Low	63.2	Low	157 Å²	157	104 Å²	104	77%	0.773	57%	0.571	S	S	*	*			trans	-87.4	113.6	170.2	-165.1	172	-167.9	0	0	108.3	N169 H173	N169-M171 PolarHBondContact O-N 3.41Å; M171-H173 PolarHBondContact O-N 3.16Å
172	V	56.4	Low	60.6	Low	69 Å²	69	107 Å²	107	42%	0.418	58%	0.584	S	S	.	*			trans	-77.7	111	174.2	-178.8	0	0	0	0	107.4	K157 F174	K157-V172 HydrophobicContact CG-CG2 4.14Å; K157-V172 WeakPolarHBondContact O-CG2 3.28Å; V172-F174 HydrophobicContact CG1-CE2 4.4Å; V172-F174 HydrophobicContact CG1-CZ 4.44Å; V172-F174 PolarHBondContact O-N 3.17Å
173	H	45.1	Very low	58.1	Low	164 Å²	164	110.7 Å²	110.7	76%	0.759	61%	0.613	S	S	*	*			trans	-73.9	106.7	167	-86.1	-87.5	0	0	0	108.5	M171 A175	M171-H173 PolarHBondContact O-N 3.16Å; H173-A175 PolarHBondContact O-N 2.6Å; H173-A175 VanDerWaalsContact O-N 3.12Å
174	F	40.1	Very low	55.6	Low	187 Å²	187	115 Å²	115	82%	0.82	65%	0.647	S	S	*	*			trans	-72.5	97.9	160.5	-67.5	-82.1	0	0	0	107.1	V172 E176	V172-F174 HydrophobicContact CG1-CE2 4.4Å; V172-F174 HydrophobicContact CG1-CZ 4.44Å; V172-F174 PolarHBondContact O-N 3.17Å; F174-E176 PolarHBondContact O-N 3.14Å; F174-E176 VanDerWaalsContact O-N 3.17Å
175	A	36.7	Very low	52.8	Low	95 Å²	95	120.4 Å²	120.4	79%	0.785	68%	0.676	S	S	*	*			trans	-71.9	104	163.3	0	0	0	0	0	107	H173 S177	H173-A175 PolarHBondContact O-N 2.6Å; H173-A175 VanDerWaalsContact O-N 3.12Å; A175-S177 PolarHBondContact O-N 3.06Å
176	E	36.8	Very low	50.5	Low	160 Å²	160	120.9 Å²	120.9	75%	0.748	68%	0.682	S	S	*	*			trans	-51.4	111.2	159.7	-84.3	174.6	162.8	0	0	107.5	F174 N178	F174-E176 PolarHBondContact O-N 3.14Å; F174-E176 VanDerWaalsContact O-N 3.17Å; E176-N178 PolarHBondContact O-N 3.5Å
177	S	36.4	Very low	48.1	Very low	112 Å²	112	124.6 Å²	124.6	78%	0.783	69%	0.689	S	S	*	*			trans	-70.2	77.9	168	60.9	0	0	0	0	108.4	A175 A179	A175-S177 PolarHBondContact O-N 3.06Å; S177-A179 PolarHBondContact O-N 3.48Å
178	N	31.2	Very low	45.6	Very low	139 Å²	139	130.1 Å²	130.1	74%	0.743	72%	0.717	S	S	*	*			trans	-74.5	67.5	159	-72.6	-41	0	0	0	107.8	E176 K180	E176-N178 PolarHBondContact O-N 3.5Å; N178-K180 PolarHBondContact O-N 2.93Å
179	A	39.4	Very low	42.9	Very low	84 Å²	84	134 Å²	134	69%	0.694	74%	0.744	S	S	*	*			trans	-79.6	106	162.7	0	0	0	0	0	106.9	S177 M181	S177-A179 PolarHBondContact O-N 3.48Å; A179-M181 PolarHBondContact O-N 3.03Å
180	K	38.4	Very low	40.6	Very low	183 Å²	183	133.1 Å²	133.1	80%	0.796	74%	0.738	S	S	*	*			trans	-36.2	110.8	166.8	-72.5	173.5	171.2	-178	0	110.8	N178 D182	N178-K180 PolarHBondContact O-N 2.93Å; K180-D182 PolarHBondContact O-N 3.33Å
181	M	32.4	Very low	38.5	Very low	194 Å²	194	138.4 Å²	138.4	96%	0.956	76%	0.757	S	S	*	*			trans	-79.8	93.8	155.1	-84.2	-162.7	170.7	0	0	107.2	A179	A179-M181 PolarHBondContact O-N 3.03Å
182	D	35	Very low	36.8	Very low	136 Å²	136	141 Å²	141	73%	0.727	76%	0.758	S	S	*	*			trans	-90.4	115.6	162	-87.6	-41.8	0	0	0	108.8	K180	K180-D182 PolarHBondContact O-N 3.33Å
183	A	32.3	Very low	35.5	Very low	99 Å²	99	142.9 Å²	142.9	82%	0.818	77%	0.774	S	S	*	*			trans	46.5	95.6	147.5	0	0	0	0	0	120.1
184	S	39.3	Very low	34.8	Very low	124 Å²	124	138.3 Å²	138.3	87%	0.867	77%	0.772	S	S	*	*				-149.2	122.2	119.2	66.4	0	0	0	0	110.6
185	N	32.7	Very low	34.5	Very low	148 Å²	148	137 Å²	137	79%	0.791	77%	0.771	S	S	*	*			trans	-74.2	129.4	176.2	-158.1	28.2	0	0	0	107.9
186	D	38.6	Very low	34.1	Very low	125 Å²	125	138 Å²	138	67%	0.668	77%	0.768	S	S	*	*				167	110.9	128.7	-80.4	-20.3	0	0	0	111.2
187	Q	35.5	Very low	33.9	Very low	170 Å²	170	134.3 Å²	134.3	79%	0.794	76%	0.76	S	S	*	*			trans	54.3	108.2	138.3	-51.2	-167.5	35.3	0	0	118.9
188	L	34.3	Very low	33.6	Very low	157 Å²	157	137.5 Å²	137.5	82%	0.822	76%	0.762	S	S	*	*			trans	157.6	86.9	133.4	-87.8	149	0	0	0	107.7
189	S	34.2	Very low	33.7	Very low	90 Å²	90	136.3 Å²	136.3	63%	0.629	76%	0.764	S	S	*	*				33.4	106.1	93.4	74.8	0	0	0	0	113.6
190	L	35.3	Very low	33.5	Very low	143 Å²	143	137.6 Å²	137.6	75%	0.749	77%	0.768	S	S	*	*				159.7	118.6	107.8	-79.6	165.2	0	0	0	111.3
191	F	32.8	Very low	33.5	Very low	171 Å²	171	134 Å²	134	75%	0.75	76%	0.764	S	S	*	*				53.5	115.1	129	-76.4	-97.7	0	0	0	121.3
192	R	29.8	Very low	33.4	Very low	212 Å²	212	133 Å²	133	80%	0.8	76%	0.756	S	S	*	*				67.7	115.7	108.2	-168.6	175.9	172.6	-174.7	-1.5	118.8
193	S	29.7	Very low	33.3	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	76%	0.759	S	S	*	*			trans	75.8	117.4	139.7	-63.3	0	0	0	0	120.4
194	G	30.1	Very low	33.3	Very low	69 Å²	69	134.9 Å²	134.9	71%	0.711	75%	0.752	S	S	*	*				111.7	135.7	112	0	0	0	0	0	117.9
195	I	33.5	Very low	32.8	Very low	158 Å²	158	137.4 Å²	137.4	81%	0.81	75%	0.75	S	S	*	*			trans	92.5	96.1	143.7	-49.1	170.9	0	0	0	117
196	T	28.6	Very low	32.7	Very low	118 Å²	118	136.4 Å²	136.4	72%	0.724	75%	0.749	S	S	*	*			trans	50.8	146.7	132.3	67.9	0	0	0	0	123.3
197	S	31.7	Very low	32.3	Very low	82 Å²	82	138.5 Å²	138.5	57%	0.573	76%	0.755	S	S	*	*			trans	86	104.2	133.7	43.7	0	0	0	0	119.9
198	H	30.1	Very low	32.1	Very low	179 Å²	179	138.7 Å²	138.7	83%	0.829	76%	0.762	S	S	*	*				93.9	127.8	119	-67.9	-52.5	0	0	0	119.2
199	S	34.2	Very low	31.8	Very low	113 Å²	113	138.6 Å²	138.6	79%	0.79	76%	0.757	S	S	*	*			trans	97.7	91.4	144.5	-49.8	0	0	0	0	117.3
200	S	34.9	Very low	31.7	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	77%	0.767	S	S	*	*			trans	-44.2	169	142.2	-31.8	0	0	0	0	111.5
201	P	38.7	Very low	31.6	Very low	107 Å²	107	139 Å²	139	70%	0.695	76%	0.757	S	S	*	*			cis	-154.4	164.8	41.7	39.6	-15.9	0	0	0	119.3
202	E	30	Very low	31.2	Very low	172 Å²	172	137 Å²	137	80%	0.804	76%	0.759	S	S	*	*			trans	63.5	151.7	136.6	-73.5	176.9	173.7	0	0	123.7
203	L	33	Very low	31.3	Very low	149 Å²	149	134.9 Å²	134.9	78%	0.78	76%	0.756	S	S	*	*			trans	86.6	133.6	167.3	-51	179.3	0	0	0	115.4
204	N	32	Very low	31	Very low	126 Å²	126	138.7 Å²	138.7	67%	0.674	76%	0.759	S	S	*	*			cis	-177.6	150	-17.6	41.9	-5.6	0	0	0	105.6
205	E	28.3	Very low	30.9	Very low	178 Å²	178	144.4 Å²	144.4	83%	0.832	77%	0.765	S	S	*	*			trans	36.4	109.8	153.7	-65.9	178.9	152.7	0	0	119.9
206	T	31.4	Very low	30.7	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	76%	0.757	S	S	*	*				-155.4	129.6	121.7	-28.4	0	0	0	0	111.3
207	Q	29.6	Very low	30.4	Very low	170 Å²	170	146.5 Å²	146.5	79%	0.794	76%	0.763	S	S	*	*			trans	2.2	129.1	156.1	-67.1	159.6	-47.6	0	0	117.7
208	N	32.6	Very low	30.4	Very low	174 Å²	174	150.8 Å²	150.8	93%	0.93	77%	0.774	S	S	*	*			trans	-153	111.3	134.2	-85.6	-41.8	0	0	0	110.9
209	H	27.9	Very low	30	Very low	155 Å²	155	148.1 Å²	148.1	72%	0.718	77%	0.771	S	S	*	*			trans	-81.5	132.1	174.1	175.9	-81.2	0	0	0	109.2	E211	H209-E211 WeakPolarHBondContact CE1-CG 3.34Å; H209-E211 IonicContact CE1-OE1 2.84Å; H209-E211 WeakPolarHBondContact ND1-CG 3.5Å; H209-E211 IonicContact ND1-OE1 2.91Å
210	C	31.8	Very low	29.9	Very low	123 Å²	123	152.5 Å²	152.5	83%	0.831	77%	0.771	S	S	*	*			trans	-151.7	88.9	160.3	-166.4	0	0	0	0	107.3
211	E	32.6	Very low	29.6	Very low	118 Å²	118	158.9 Å²	158.9	55%	0.551	78%	0.778	S	S	*	*				58.7	94.6	94.9	-68.7	-161.7	176.2	0	0	114.7	H209 K213	H209-E211 WeakPolarHBondContact CE1-CG 3.34Å; H209-E211 IonicContact CE1-OE1 2.84Å; H209-E211 WeakPolarHBondContact ND1-CG 3.5Å; H209-E211 IonicContact ND1-OE1 2.91Å; E211-K213 PolarHBondContact O-N 3.21Å
212	T	24.3	Very low	28.9	Very low	129 Å²	129	160.4 Å²	160.4	79%	0.791	78%	0.779	S	S	*	*			trans	-42.4	116.7	151.1	-47.1	0	0	0	0	111.5	F214	T212-F214 HydrophobicContact CG2-CD2 4.38Å
213	K	32	Very low	28.9	Very low	167 Å²	167	157.9 Å²	157.9	73%	0.726	78%	0.78	S	S	*	*			trans	-129.8	104.1	155.9	-75.8	-176.5	-177.5	167.2	0	109.9	E211 F215	E211-K213 PolarHBondContact O-N 3.21Å; K213-F215 PolarHBondContact O-N 3.13Å
214	F	23.3	Very low	28.7	Very low	187 Å²	187	158.7 Å²	158.7	82%	0.82	78%	0.78	S	S	*	*			trans	-45.4	129.2	155.9	-95.9	-106.6	0	0	0	110.2	T212	T212-F214 HydrophobicContact CG2-CD2 4.38Å
215	F	29.2	Very low	28.5	Very low	190 Å²	190	157.2 Å²	157.2	83%	0.833	79%	0.785	S	S	*	*			trans	-132.1	104.1	150.2	-104.4	-83.3	0	0	0	110.4	K213	K213-F215 PolarHBondContact O-N 3.13Å
216	S	28.1	Very low	28.6	Very low	91 Å²	91	155.5 Å²	155.5	64%	0.636	79%	0.787	S	S	*	*			trans	-0.6	121.5	153.9	56.8	0	0	0	0	120
217	R	23.8	Very low	28.4	Very low	229 Å²	229	154.3 Å²	154.3	86%	0.864	78%	0.779	S	S	*	*				45.6	96.6	121.3	-161.8	-179.8	-170.8	-171.9	3.1	116.5
218	Q	29.7	Very low	28.5	Very low	171 Å²	171	152.5 Å²	152.5	80%	0.799	78%	0.782	S	S	*	*			trans	-139.8	115.3	143.1	-107.1	159.6	27.3	0	0	110.5	Y220	Q218-Y220 HydrophobicContact CB-CE1 4.26Å
219	T	23.7	Very low	28.3	Very low	123 Å²	123	150.9 Å²	150.9	76%	0.755	77%	0.773	S	S	*	*			trans	-71.9	127.5	172.8	41.5	0	0	0	0	110.7
220	Y	30.2	Very low	28.2	Very low	205 Å²	205	152.2 Å²	152.2	80%	0.804	78%	0.782	S	S	*	*			trans	-136.3	136.2	152.8	16.8	-88.1	0	0	0	109	Q218	Q218-Y220 HydrophobicContact CB-CE1 4.26Å
221	R	28.8	Very low	28.2	Very low	247 Å²	247	152.1 Å²	152.1	93%	0.932	78%	0.778	S	S	*	*			trans	-78.2	151.6	-157.7	-75.4	171.1	165.7	168.7	-6.1	113.5
222	I	24	Very low	28	Very low	138 Å²	138	152.4 Å²	152.4	71%	0.708	79%	0.792	S	S	*	*			trans	-50.5	143.3	174.4	-62.8	151.2	0	0	0	113.3
223	S	30.5	Very low	28.4	Very low	119 Å²	119	157.5 Å²	157.5	83%	0.832	80%	0.796	S	S	*	*			trans	-128.2	135.4	144.9	50.1	0	0	0	0	109.2
224	H	29.4	Very low	28.3	Very low	166 Å²	166	156.3 Å²	156.3	77%	0.769	80%	0.798	S	S	*	*			trans	-79.3	149	-151.9	-69	-96.8	0	0	0	115.5
225	A	26.7	Very low	28.5	Very low	95 Å²	95	154.1 Å²	154.1	79%	0.785	79%	0.794	S	S	*	*			trans	-73.5	150.9	159.4	0	0	0	0	0	111.3
226	T	30.1	Very low	28.7	Very low	142 Å²	142	149.3 Å²	149.3	87%	0.871	78%	0.784	S	S	*	*			trans	-108	108	170.1	-46.7	0	0	0	0	110
227	V	28.3	Very low	28.9	Very low	102 Å²	102	153.4 Å²	153.4	62%	0.618	79%	0.793	S	S	*	*			trans	-93.5	141.3	158.7	177.3	0	0	0	0	106.7	D229	V227-D229 HydrophobicContact CG1-CB 4.22Å
228	P	31.4	Very low	29.3	Very low	131 Å²	131	148.4 Å²	148.4	85%	0.851	79%	0.788	S	S	*	*			trans	-91.7	94.6	158.4	28.3	-16.3	0	0	0	108.7
229	D	28.3	Very low	29.5	Very low	140 Å²	140	144.4 Å²	144.4	75%	0.749	78%	0.779	S	S	*	*			trans	-93.3	134.2	170.5	-118.9	-17.5	0	0	0	109.5	V227	V227-D229 HydrophobicContact CG1-CB 4.22Å
230	M	25.9	Very low	29.9	Very low	183 Å²	183	146.5 Å²	146.5	90%	0.901	79%	0.786	S	S	*	*			trans	-62.8	127.8	171.2	-74.1	167.9	76.8	0	0	110.2
231	V	33	Very low	30.1	Very low	122 Å²	122	140.1 Å²	140.1	74%	0.739	78%	0.782	S	S	*	*			trans	-139.6	110.4	166.2	-175.1	0	0	0	0	111.1
232	C	27.7	Very low	30.3	Very low	124 Å²	124	136.5 Å²	136.5	84%	0.838	78%	0.78	S	S	*	*			trans	-71.9	136.8	161.3	-62.4	0	0	0	0	109.9
233	R	31.8	Very low	30.5	Very low	236 Å²	236	134.2 Å²	134.2	89%	0.891	78%	0.776	S	S	*	*			trans	-123.9	115.4	164.2	-88.9	-174.4	174.1	167.3	-0.7	110.1
234	N	29.7	Very low	30.7	Very low	141 Å²	141	139.3 Å²	139.3	75%	0.754	78%	0.779	S	S	*	*			trans	-99	134.3	162.9	-87.2	-12.8	0	0	0	109.5
235	N	28.2	Very low	30.8	Very low	141 Å²	141	137.3 Å²	137.3	75%	0.754	77%	0.773	S	S	*	*			trans	65.4	137	145.5	-48.1	-15.9	0	0	0	116.1
236	S	32.5	Very low	31	Very low	89 Å²	89	137.4 Å²	137.4	62%	0.622	77%	0.768	S	S	*	*			cis	-177.2	148.4	33	-11.5	0	0	0	0	108.9
237	H	34.1	Very low	31.2	Very low	178 Å²	178	139.7 Å²	139.7	82%	0.824	77%	0.769	S	S	*	*			trans	62.8	135.7	150.5	-49.9	-54.8	0	0	0	117.2
238	T	32.1	Very low	31.3	Very low	123 Å²	123	142.3 Å²	142.3	76%	0.755	78%	0.78	S	S	*	*			cis	-170.5	141	32.2	-18.8	0	0	0	0	109.3
239	S	32.9	Very low	31.5	Very low	88 Å²	88	146.8 Å²	146.8	62%	0.615	78%	0.78	S	S	*	*			trans	66.7	118.5	137.4	61.3	0	0	0	0	123.6
240	D	32.4	Very low	31.9	Very low	166 Å²	166	146 Å²	146	89%	0.888	77%	0.773	S	S	*	*				92.5	122.5	124.5	-59.4	-10.7	0	0	0	120.5
241	G	34.4	Very low	32.4	Very low	71 Å²	71	143.6 Å²	143.6	73%	0.732	76%	0.763	S	S	*	*			trans	170.4	30.8	171.4	0	0	0	0	0	121.4
242	I	33.2	Very low	32.6	Very low	171 Å²	171	143.2 Å²	143.2	88%	0.877	76%	0.757	S	S	*	*			trans	74.7	126.6	149.4	-41.6	174.7	0	0	0	119.3
243	S	29	Very low	32.9	Very low	90 Å²	90	145.6 Å²	145.6	63%	0.629	76%	0.756	S	S	*	*			trans	-62.3	159	177.3	55	0	0	0	0	118.1
244	Y	33	Very low	33.3	Very low	227 Å²	227	139.9 Å²	139.9	89%	0.89	75%	0.752	S	S	*	*				-152.7	138.7	127.6	-149.5	-99.3	0	0	0	112
245	N	32.2	Very low	33.6	Very low	123 Å²	123	139.7 Å²	139.7	66%	0.658	75%	0.751	S	S	*	*			trans	-85.5	163.6	-166.2	-67.3	-44.5	0	0	0	114.5
246	S	30.3	Very low	34.2	Very low	97 Å²	97	141 Å²	141	68%	0.678	75%	0.752	S	S	*	*			trans	22.5	134.8	140.3	64.8	0	0	0	0	120.5
247	E	35.9	Very low	34.4	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	76%	0.757	S	S	*	*				174.3	150.4	115.8	-96	174.2	-175.5	0	0	114.1
248	N	29.8	Very low	34.4	Very low	158 Å²	158	143.8 Å²	143.8	85%	0.845	76%	0.76	S	S	*	*			trans	-53.5	156.4	174.7	-71.2	-38.6	0	0	0	115.4
249	R	35.5	Very low	34.6	Very low	224 Å²	224	146.8 Å²	146.8	85%	0.845	76%	0.763	S	S	*	*			trans	168.8	135.3	146.5	-97.1	-179.7	167.6	-132.6	-0.2	106.9
250	M	36.1	Very low	34.9	Very low	124 Å²	124	147.4 Å²	147.4	61%	0.611	77%	0.765	S	S	*	*			cis	-171.5	137.3	22.6	-100.2	161.4	81.7	0	0	109.7
251	L	37.1	Very low	34.7	Very low	132 Å²	132	146.3 Å²	146.3	69%	0.691	76%	0.759	S	S	*	*			trans	66.4	137.3	130.1	-55	-178.4	0	0	0	119.4
252	N	37.5	Very low	34.8	Very low	114 Å²	114	148.2 Å²	148.2	61%	0.61	76%	0.761	S	S	*	*			cis	-165.7	148.3	23.7	-105.5	-9.2	0	0	0	113.2
253	E	34.4	Very low	34.7	Very low	174 Å²	174	146.2 Å²	146.2	81%	0.813	76%	0.756	S	S	*	*			trans	57.9	137.1	141.2	-69.6	168.2	154.1	0	0	120.9
254	S	39.8	Very low	34.8	Very low	117 Å²	117	149.5 Å²	149.5	82%	0.818	76%	0.764	S	S	*	*			cis	-158.3	163.7	26	51.4	0	0	0	0	112.8
255	N	36	Very low	34.9	Very low	137 Å²	137	143.8 Å²	143.8	73%	0.733	75%	0.752	S	S	*	*			trans	-84.6	159.3	-163.4	-58.8	-60.3	0	0	0	116
256	H	39.7	Very low	34.8	Very low	168 Å²	168	145 Å²	145	78%	0.778	76%	0.759	S	S	*	*				-178.9	105.7	118.2	-86	-54.8	0	0	0	107.9
257	D	37.6	Very low	35.1	Very low	133 Å²	133	145.3 Å²	145.3	71%	0.711	76%	0.756	S	S	*	*				64.2	123.6	102.5	-59.9	-37.8	0	0	0	112
258	Q	34.4	Very low	35.2	Very low	193 Å²	193	144.4 Å²	144.4	90%	0.902	75%	0.752	S	S	*	*			cis	-168.6	153.7	28.2	-168	167.2	-14.8	0	0	109.7
259	K	35.9	Very low	35.2	Very low	185 Å²	185	146.9 Å²	146.9	80%	0.804	76%	0.755	S	S	*	*			trans	-78.1	162.4	-165.1	-173.7	173.5	-179.7	178.5	0	115.6
260	P	39.2	Very low	35.5	Very low	101 Å²	101	141.5 Å²	141.5	66%	0.656	75%	0.75	S	S	*	*			trans	-97.3	177.5	-175.9	37.5	-28.4	0	0	0	113.5
261	N	28.7	Very low	35.6	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	76%	0.762	S	S	*	*			trans	161.4	129.1	144.7	-83.8	-14.4	0	0	0	112.8
262	S	34.7	Very low	35.3	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	77%	0.769	S	S	*	*			trans	161.7	104.4	141.9	56.6	0	0	0	0	108.9
263	V	31.4	Very low	35.3	Very low	129 Å²	129	144.6 Å²	144.6	78%	0.782	78%	0.776	S	S	*	*				71.7	114.4	71	-177.1	0	0	0	0	112.4
264	M	32	Very low	35.3	Very low	160 Å²	160	144.2 Å²	144.2	79%	0.788	78%	0.778	S	S	*	*			trans	123.8	127.8	142.8	-67.6	-145.7	54.5	0	0	119.9
265	V	35.3	Very low	35.1	Very low	106 Å²	106	144.3 Å²	144.3	64%	0.642	78%	0.777	S	S	*	*			trans	84.8	104.1	143.1	177.8	0	0	0	0	115.3
266	D	28.8	Very low	34.9	Very low	150 Å²	150	144.6 Å²	144.6	80%	0.802	78%	0.778	S	S	*	*				74.6	153.7	66.7	-155.2	12.3	0	0	0	112.2
267	V	36.9	Very low	34.5	Very low	102 Å²	102	145 Å²	145	62%	0.618	78%	0.78	S	S	*	*			trans	111.9	87.4	174.2	-170.6	0	0	0	0	116.1
268	E	37.9	Very low	34.2	Very low	172 Å²	172	145.6 Å²	145.6	80%	0.804	79%	0.789	S	S	*	*				68.5	117.7	123.8	-64.8	166.4	174.2	0	0	121.8
269	F	31.2	Very low	33.8	Very low	209 Å²	209	143.8 Å²	143.8	92%	0.917	79%	0.785	S	S	*	*			trans	-75.2	153.8	148.1	-78.5	-89.6	0	0	0	109.8
270	P	41	Very low	33.8	Very low	112 Å²	112	142.1 Å²	142.1	73%	0.727	78%	0.784	S	S	*	*				-148.9	147.3	116.7	32.2	-13.2	0	0	0	116.7
271	D	38.6	Very low	33.5	Very low	162 Å²	162	144.2 Å²	144.2	87%	0.866	79%	0.785	S	S	*	*			trans	28.3	135	141.4	-54.8	-35.1	0	0	0	123.8
272	D	31.6	Very low	33.7	Very low	155 Å²	155	145.3 Å²	145.3	83%	0.829	78%	0.784	S	S	*	*			trans	-25.5	160.5	161	-94	-27.8	0	0	0	118.1
273	P	37.1	Very low	33.5	Very low	118 Å²	118	148.7 Å²	148.7	77%	0.766	79%	0.787	S	S	*	*			cis	-152.6	173.5	49.5	36.8	-12.5	0	0	0	118.4
274	L	33.2	Very low	33.6	Very low	165 Å²	165	151.2 Å²	151.2	86%	0.864	79%	0.791	S	S	*	*			trans	-54.9	155.2	172.5	-78.2	162.5	0	0	0	115
275	P	36.5	Very low	33.5	Very low	120 Å²	120	151.1 Å²	151.1	78%	0.779	79%	0.793	S	S	*	*				-150	152.6	113.8	35.6	-17.1	0	0	0	118.2
276	N	31.5	Very low	33.5	Very low	142 Å²	142	154.7 Å²	154.7	76%	0.759	81%	0.807	S	S	*	*			trans	-5	141.8	157.6	-58.2	-3.6	0	0	0	124.6
277	E	30.3	Very low	33.9	Very low	177 Å²	177	152.9 Å²	152.9	83%	0.827	81%	0.806	S	S	*	*			trans	45	125.9	133	-65	-178.1	151.8	0	0	122.1
278	T	32.6	Very low	33.6	Very low	146 Å²	146	156.5 Å²	156.5	90%	0.896	82%	0.816	S	S	*	*				-162.1	137.5	125.2	-56.3	0	0	0	0	111.2
279	L	26.5	Very low	33.2	Very low	155 Å²	155	157.1 Å²	157.1	81%	0.812	82%	0.819	S	S	*	*			trans	-65.3	162	-179.2	-77.7	154.8	0	0	0	117.1
280	N	35.3	Very low	33.4	Very low	149 Å²	149	152.6 Å²	152.6	80%	0.797	81%	0.814	S	S	*	*			trans	143.3	143.1	138.6	-71.3	-20.5	0	0	0	110.9
281	Q	32.5	Very low	32.9	Very low	145 Å²	145	154.4 Å²	154.4	68%	0.678	82%	0.817	S	S	*	*			cis	-178.4	161.4	-22.4	-165.8	172.8	26.4	0	0	105.4
282	F	33.4	Very low	32.8	Very low	168 Å²	168	152 Å²	152	74%	0.737	81%	0.813	S	S	*	*			trans	84.1	108.3	170.6	-47.1	-71.2	0	0	0	117
283	E	30	Very low	32.7	Very low	180 Å²	180	151.7 Å²	151.7	84%	0.841	81%	0.811	S	S	*	*			cis	77	108.6	47.4	-157.7	172.9	-144.8	0	0	113.4
284	E	34.3	Very low	32.4	Very low	183 Å²	183	153 Å²	153	86%	0.855	81%	0.81	S	S	*	*				163.4	141.7	113.2	-156.6	168.5	-163.3	0	0	112.4
285	N	29.3	Very low	32.3	Very low	157 Å²	157	151.8 Å²	151.8	84%	0.84	80%	0.803	S	S	*	*			trans	-80.6	154.8	-171.5	-58.3	-58.9	0	0	0	113.3
286	I	35.6	Very low	31.9	Very low	181 Å²	181	150.8 Å²	150.8	93%	0.928	80%	0.799	S	S	*	*			trans	-139.7	133.4	154.2	-13	176.5	0	0	0	111.4
287	S	36.9	Very low	31.8	Very low	113 Å²	113	148.5 Å²	148.5	79%	0.79	79%	0.794	S	S	*	*			trans	-72.8	158.4	-162.5	172.5	0	0	0	0	117
288	E	30.6	Very low	31.9	Very low	178 Å²	178	146.4 Å²	146.4	83%	0.832	79%	0.793	S	S	*	*			trans	-50.4	141.8	165.5	-60.1	170.3	147.9	0	0	114.4
289	E	29.1	Very low	31.9	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	79%	0.786	S	S	*	*				164.3	160.6	116.6	-125.1	-179.1	171.6	0	0	110.6
290	S	36.1	Very low	32.1	Very low	114 Å²	114	140.4 Å²	140.4	80%	0.797	78%	0.781	S	S	*	*			trans	112.9	97.4	161.8	75.5	0	0	0	0	119.1
291	N	30.4	Very low	32.1	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	78%	0.779	S	S	*	*			trans	-23.7	161.7	151.9	-55.8	-43.5	0	0	0	120.9
292	S	35.3	Very low	31.9	Very low	111 Å²	111	139.4 Å²	139.4	78%	0.776	78%	0.781	S	S	*	*			trans	89.5	116.9	141.2	63.3	0	0	0	0	120.2
293	D	29.4	Very low	31.8	Very low	148 Å²	148	138.8 Å²	138.8	79%	0.791	79%	0.786	S	S	*	*			trans	3.4	141.9	139.3	-56.5	-45.2	0	0	0	117.8
294	I	32	Very low	31.8	Very low	147 Å²	147	137.8 Å²	137.8	75%	0.754	78%	0.781	S	S	*	*				155.4	113.5	124.2	-83.6	166.6	0	0	0	111.9
295	I	30.1	Very low	31.6	Very low	139 Å²	139	138 Å²	138	71%	0.713	78%	0.78	S	S	*	*			trans	72.9	107.1	133.7	-61.4	-177.9	0	0	0	119.2
296	S	29.5	Very low	31.7	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	77%	0.774	S	S	*	*				64.3	139.4	127.1	93.1	0	0	0	0	118.3
297	S	28.5	Very low	31.3	Very low	95 Å²	95	133 Å²	133	66%	0.664	76%	0.76	S	S	*	*				165.2	166.7	56.1	39.7	0	0	0	0	107.8
298	V	31.5	Very low	30.9	Very low	132 Å²	132	133.7 Å²	133.7	80%	0.8	76%	0.755	S	S	*	*			trans	77.7	122.9	157.2	-165.8	0	0	0	0	113.5
299	S	33.8	Very low	31	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	75%	0.753	S	S	*	*			cis	-173.5	137.6	24	27.7	0	0	0	0	109.1
300	G	31	Very low	31.1	Very low	69 Å²	69	130.9 Å²	130.9	71%	0.711	75%	0.75	S	S	*	*			trans	-79	176.9	157.8	0	0	0	0	0	111.7
301	P	34.5	Very low	30.9	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	75%	0.745	S	S	*	*				-150.3	149.6	97.5	33	-13.1	0	0	0	117.7
302	H	28.2	Very low	30.7	Very low	158 Å²	158	130.7 Å²	130.7	73%	0.731	74%	0.741	S	S	*	*			trans	46.9	131.9	134	-65.2	-80.8	0	0	0	123.9
303	N	31.9	Very low	30.4	Very low	155 Å²	155	132.6 Å²	132.6	83%	0.829	74%	0.738	S	S	*	*			trans	171.3	88.6	133.9	-80.5	-15.9	0	0	0	106.6
304	E	28.9	Very low	30.2	Very low	159 Å²	159	130 Å²	130	74%	0.743	73%	0.73	S	S	*	*				57.3	115.3	71.6	-150.7	172.3	-133.2	0	0	113.5
305	F	31.8	Very low	30	Very low	188 Å²	188	128.1 Å²	128.1	83%	0.825	72%	0.721	S	S	*	*			trans	175.5	88	149.3	-89	-63.9	0	0	0	108.2
306	I	31	Very low	29.9	Very low	139 Å²	139	128.5 Å²	128.5	71%	0.713	72%	0.718	S	S	*	*				98.1	128.1	90.6	-76.1	177.8	0	0	0	113.1
307	S	26.7	Very low	29.9	Very low	93 Å²	93	133.4 Å²	133.4	65%	0.65	72%	0.723	S	S	*	*			trans	-81.1	-172.9	-177.4	58.6	0	0	0	0	114.1
308	N	29	Very low	29.8	Very low	127 Å²	127	133.9 Å²	133.9	68%	0.679	72%	0.721	S	S	*	*			trans	118.2	131	155.6	-63.9	-2.6	0	0	0	112.4
309	D	33	Very low	29.5	Very low	146 Å²	146	132.5 Å²	132.5	78%	0.781	72%	0.718	S	S	*	*			cis	-160.2	147.5	15.1	-79.9	-41.4	0	0	0	111.7
310	I	30.1	Very low	29.2	Very low	158 Å²	158	136.5 Å²	136.5	81%	0.81	72%	0.718	S	S	*	*			trans	-83.2	147.8	158.2	-64.8	169.9	0	0	0	105.7
311	P	32.5	Very low	29	Very low	107 Å²	107	140.1 Å²	140.1	70%	0.695	72%	0.716	S	S	*	*				-166.7	175	74.5	44.6	-20.8	0	0	0	120.9
312	H	26.2	Very low	28.7	Very low	154 Å²	154	140.4 Å²	140.4	71%	0.713	71%	0.711	S	S	*	*			trans	65.2	143.4	145.4	-115.4	-111.1	0	0	0	116.9
313	E	28.5	Very low	28.6	Very low	151 Å²	151	139 Å²	139	71%	0.706	71%	0.708	S	S	*	*			cis	178.9	139.9	47.7	-167.6	148.4	-139.8	0	0	108.9
314	C	25.1	Very low	28.3	Very low	93 Å²	93	137 Å²	137	63%	0.628	71%	0.707	S	S	*	*			trans	57.2	152.6	140.2	-66.6	0	0	0	0	121
315	D	28.2	Very low	28.1	Very low	108 Å²	108	134 Å²	134	58%	0.578	70%	0.704	S	S	*	*			cis	-169.4	152.9	13.1	-126.3	-1.4	0	0	0	108.6
316	K	28	Very low	27.8	Very low	146 Å²	146	133.5 Å²	133.5	64%	0.635	70%	0.703	S	S	*	*			trans	53	124.6	144.9	-68.1	166.2	178.1	139	0	118.6
317	Y	29.3	Very low	27.5	Very low	202 Å²	202	133.8 Å²	133.8	79%	0.792	71%	0.705	S	S	*	*				-160.4	122.6	61.1	-90	-90.6	0	0	0	108.8
318	V	27.8	Very low	27.4	Very low	105 Å²	105	134 Å²	134	64%	0.636	71%	0.706	S	S	*	*				61.7	92.2	107	-178.5	0	0	0	0	112	Y320	V318-Y320 HydrophobicContact CG1-CD2 4.15Å; V318-Y320 HydrophobicContact CG1-CE2 4.24Å
319	S	24.9	Very low	27.1	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	71%	0.711	S	S	*	*				50.4	120.1	86.8	-64.3	0	0	0	0	113.6
320	Y	27.2	Very low	26.8	Very low	189 Å²	189	133.4 Å²	133.4	74%	0.741	71%	0.707	S	S	*	*			trans	169.9	110	135.5	-88.5	-57.3	0	0	0	106.4	V318	V318-Y320 HydrophobicContact CG1-CD2 4.15Å; V318-Y320 HydrophobicContact CG1-CE2 4.24Å
321	E	27.2	Very low	26.5	Very low	145 Å²	145	132.4 Å²	132.4	68%	0.678	70%	0.702	S	S	*	*				76.1	127.4	97.1	-96.9	-176	-168.4	0	0	109.8
322	L	27.6	Very low	26.1	Very low	122 Å²	122	133.9 Å²	133.9	64%	0.639	71%	0.709	S	S	*	*			cis	-172.4	150.9	37.8	-92.4	140.2	0	0	0	108.2
323	N	26.5	Very low	26	Very low	128 Å²	128	130.7 Å²	130.7	68%	0.684	70%	0.704	S	S	*	*			trans	63.9	105.6	137.8	-57.2	-12	0	0	0	118.2
324	S	24.3	Very low	25.9	Very low	114 Å²	114	134.4 Å²	134.4	80%	0.797	71%	0.713	S	S	*	*				41	99.3	72.3	-169.6	0	0	0	0	112.8
325	S	25.2	Very low	25.8	Very low	97 Å²	97	135.3 Å²	135.3	68%	0.678	72%	0.715	S	S	*	*				171.1	120.1	126.9	54.2	0	0	0	0	111.5
326	H	24.8	Very low	25.9	Very low	177 Å²	177	133.9 Å²	133.9	82%	0.819	73%	0.726	S	S	*	*			trans	69.3	152.5	136.1	-77.1	-85.1	0	0	0	121.1
327	I	26	Very low	25.7	Very low	145 Å²	145	137.3 Å²	137.3	74%	0.744	74%	0.737	S	S	*	*			trans	91.7	87.5	167.7	-51.9	163.1	0	0	0	110.9
328	S	23.2	Very low	25.7	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	74%	0.738	S	S	*	*				54.2	141.8	73.4	-55	0	0	0	0	112.3
329	D	23.2	Very low	25.6	Very low	146 Å²	146	136.3 Å²	136.3	78%	0.781	75%	0.745	S	S	*	*			trans	85.6	136.5	179.3	-44.1	-26.1	0	0	0	110.9
330	V	26.2	Very low	25.9	Very low	116 Å²	116	140.7 Å²	140.7	70%	0.703	75%	0.754	S	S	*	*			cis	-177.7	153.4	20.2	97.1	0	0	0	0	110.3
331	I	24.6	Very low	25.9	Very low	137 Å²	137	141 Å²	141	70%	0.703	76%	0.762	S	S	*	*			trans	82.5	95.2	152.6	-58.3	166.9	0	0	0	118.8
332	V	24.5	Very low	25.8	Very low	138 Å²	138	139.1 Å²	139.1	84%	0.836	76%	0.763	S	S	*	*			trans	-66.2	128.3	136.7	171.8	0	0	0	0	108.4
333	S	23	Very low	25.7	Very low	87 Å²	87	142.5 Å²	142.5	61%	0.608	78%	0.778	S	S	*	*			trans	169.5	119.7	142.9	-77.5	0	0	0	0	110.3
334	Y	26.6	Very low	25.6	Very low	229 Å²	229	144 Å²	144	90%	0.898	79%	0.786	S	S	*	*				-171.8	115.7	105.9	-111.1	-86.6	0	0	0	110.5
335	V	24	Very low	25.6	Very low	112 Å²	112	146 Å²	146	68%	0.679	79%	0.787	S	S	*	*			trans	-72.7	143.8	168.4	167.9	0	0	0	0	109.6	Y337	V335-Y337 HydrophobicContact CG1-CD2 3.43Å; V335-Y337 VanDerWaalsContact CG1-CD2 3.43Å; V335-Y337 HydrophobicContact CG1-CE2 3.67Å; V335-Y337 HydrophobicContact CG1-CG 4.49Å
336	G	28.9	Very low	25.7	Very low	78 Å²	78	153 Å²	153	80%	0.804	80%	0.799	S	S	*	*			trans	-142.5	97.1	161.1	0	0	0	0	0	109.6
337	Y	24.9	Very low	25.7	Very low	218 Å²	218	152 Å²	152	86%	0.855	80%	0.798	S	S	*	*			trans	-59.6	144.1	178.5	-90.1	-97.4	0	0	0	112.9	V335	V335-Y337 HydrophobicContact CG1-CD2 3.43Å; V335-Y337 VanDerWaalsContact CG1-CD2 3.43Å; V335-Y337 HydrophobicContact CG1-CE2 3.67Å; V335-Y337 HydrophobicContact CG1-CG 4.49Å
338	S	29.7	Very low	25.6	Very low	117 Å²	117	150.9 Å²	150.9	82%	0.818	80%	0.8	S	S	*	*			trans	-126.1	135.2	147.8	63.2	0	0	0	0	109.8
339	H	24.7	Very low	25.7	Very low	168 Å²	168	150.6 Å²	150.6	78%	0.778	80%	0.798	S	S	*	*			trans	-91.1	98.2	-155.4	176.4	50.7	0	0	0	112.8
340	E	32.3	Very low	25.8	Very low	195 Å²	195	153 Å²	153	91%	0.911	81%	0.805	S	S	*	*			trans	-152.6	73.5	159.5	-71.6	-159.8	176.9	0	0	110.4
341	Q	26.4	Very low	25.9	Very low	197 Å²	197	150.5 Å²	150.5	92%	0.921	80%	0.802	S	S	*	*			trans	-150	44.9	171	-147.7	168.7	34.5	0	0	113.3
342	C	24.4	Very low	26.1	Very low	104 Å²	104	154 Å²	154	70%	0.703	81%	0.808	S	S	*	*			trans	-148.4	69.2	-179.8	-149.8	0	0	0	0	113.1
343	M	26.7	Very low	26.3	Very low	193 Å²	193	153.3 Å²	153.3	95%	0.951	80%	0.799	S	S	*	*			trans	-148.9	48.1	158.7	-73.1	-56.4	-92.2	0	0	111.8
344	L	24.6	Very low	26.7	Very low	161 Å²	161	156.6 Å²	156.6	84%	0.843	81%	0.805	S	S	*	*			trans	-103.9	131.8	156.3	-84.8	163.6	0	0	0	107.5
345	N	24.6	Very low	26.8	Very low	155 Å²	155	150.7 Å²	150.7	83%	0.829	80%	0.797	S	S	*	*			trans	104	86.8	176.1	-54	-23.1	0	0	0	116
346	R	27.7	Very low	27	Very low	243 Å²	243	154.5 Å²	154.5	92%	0.917	81%	0.808	S	S	*	*				-172.8	100.9	126.6	-104.8	172.9	-170.6	-178.7	3.7	110.2
347	I	22.8	Very low	27	Very low	158 Å²	158	154.1 Å²	154.1	81%	0.81	80%	0.804	S	S	*	*			trans	-73.6	138.3	155.3	-62.8	168.6	0	0	0	106.9
348	P	25.6	Very low	27	Very low	120 Å²	120	151.8 Å²	151.8	78%	0.779	80%	0.804	S	S	*	*				-121.9	137.7	129.2	0.7	19.8	0	0	0	112.2
349	S	23.7	Very low	26.7	Very low	91 Å²	91	152.4 Å²	152.4	64%	0.636	80%	0.803	S	S	*	*			trans	-63	162.1	177.2	50.9	0	0	0	0	115.7
350	Q	26.7	Very low	26.9	Very low	196 Å²	196	153 Å²	153	92%	0.916	80%	0.804	S	S	*	*			trans	86.7	128.9	163.3	-53.6	-179.5	-11.9	0	0	115.2
351	G	28.4	Very low	26.6	Very low	63 Å²	63	154.1 Å²	154.1	65%	0.649	81%	0.806	S	S	*	*			cis	-179.2	172	2.5	0	0	0	0	0	111
352	Y	28.4	Very low	26.6	Very low	212 Å²	212	151.2 Å²	151.2	83%	0.831	80%	0.802	S	S	*	*			trans	79.7	101.6	171.2	-63.6	-80.9	0	0	0	116.9
353	N	27.8	Very low	26.7	Very low	122 Å²	122	155.2 Å²	155.2	65%	0.652	81%	0.81	S	S	*	*				80.6	128.3	82.9	-76.8	23.2	0	0	0	110
354	E	31	Very low	26.7	Very low	157 Å²	157	153.9 Å²	153.9	73%	0.734	81%	0.805	S	S	*	*			cis	-167.3	153.2	29.1	-117.9	151.9	-142.7	0	0	109.8
355	S	29.1	Very low	26.8	Very low	104 Å²	104	154.4 Å²	154.4	73%	0.727	81%	0.807	S	S	*	*			trans	56.6	142	149.1	58.8	0	0	0	0	120.5
356	E	28.7	Very low	26.9	Very low	193 Å²	193	158.6 Å²	158.6	90%	0.902	81%	0.811	S	S	*	*			cis	177.7	145	-1.2	170.1	168.7	-161.6	0	0	104.9
357	G	27.9	Very low	26.9	Very low	69 Å²	69	153.9 Å²	153.9	71%	0.711	80%	0.799	S	S	*	*			trans	127.2	47	166.7	0	0	0	0	0	118
358	I	25.4	Very low	27	Very low	169 Å²	169	152.4 Å²	152.4	87%	0.867	80%	0.8	S	S	*	*			trans	-134.6	100.7	156.3	-55.6	179.2	0	0	0	108.7
359	T	24.9	Very low	27.1	Very low	130 Å²	130	151.1 Å²	151.1	80%	0.798	80%	0.799	S	S	*	*			trans	-140	132	162	-47.2	0	0	0	0	107.1
360	K	28.1	Very low	27.2	Very low	181 Å²	181	152.5 Å²	152.5	79%	0.787	81%	0.808	S	S	*	*	S	Bend	trans	94.9	77.5	175.7	-55.3	175.9	179.5	178.8	0	116.1
361	F	26.3	Very low	27.2	Very low	219 Å²	219	148.5 Å²	148.5	96%	0.961	80%	0.799	S	S	*	*			trans	-158.7	45.4	133.1	-98.7	-69.2	0	0	0	110
362	T	24.9	Very low	27.1	Very low	136 Å²	136	153.2 Å²	153.2	83%	0.834	80%	0.804	S	S	*	*			trans	-110.4	70.5	178.2	-27.8	0	0	0	0	108.5
363	E	27.2	Very low	26.9	Very low	187 Å²	187	149.1 Å²	149.1	87%	0.874	80%	0.801	S	S	*	*			trans	-154.8	8.2	-179.1	-126.2	168.6	-163.5	0	0	120.8
364	I	27.7	Very low	27	Very low	166 Å²	166	151.4 Å²	151.4	85%	0.851	81%	0.805	S	S	*	*	S	Bend	trans	-136	20.4	-177.6	-47.5	178.1	0	0	0	116.4
365	I	27.1	Very low	26.7	Very low	171 Å²	171	153.7 Å²	153.7	88%	0.877	81%	0.813	S	S	*	*			trans	-138.6	74.8	161.3	-49.2	178.9	0	0	0	109
366	R	25.9	Very low	26.7	Very low	244 Å²	244	153.3 Å²	153.3	92%	0.921	82%	0.816	S	S	*	*			trans	-85.7	114.6	166.8	-163.4	-178.8	-81	-134.1	2.6	106.5
367	E	27.5	Very low	26.5	Very low	143 Å²	143	153 Å²	153	67%	0.668	81%	0.814	S	S	*	*			trans	-46.5	142.4	174	-84.6	-178.3	136.7	0	0	111.6	A369	E367-A369 PolarHBondContact O-N 3.09Å
368	P	25.7	Very low	26.4	Very low	128 Å²	128	155.4 Å²	155.4	83%	0.831	82%	0.815	S	S	*	*			trans	-69.6	99.1	162	29.4	-27.6	0	0	0	107.8	C370	P368-C370 PolarHBondContact O-N 2.72Å; P368-C370 VanDerWaalsContact O-N 3.1Å
369	A	27.2	Very low	26.5	Very low	92 Å²	92	156 Å²	156	76%	0.76	82%	0.815	S	S	*	*			trans	-61.9	110.7	168.9	0	0	0	0	0	109	E367	E367-A369 PolarHBondContact O-N 3.09Å
370	C	25.3	Very low	26.6	Very low	120 Å²	120	156.9 Å²	156.9	81%	0.811	81%	0.814	S	S	*	*			trans	-61.9	126.6	162.8	-97	0	0	0	0	108.4	P368 E372	P368-C370 PolarHBondContact O-N 2.72Å; P368-C370 VanDerWaalsContact O-N 3.1Å; C370-E372 PolarHBondContact O-N 3.49Å
371	P	27.3	Very low	26.8	Very low	112 Å²	112	152.5 Å²	152.5	73%	0.727	80%	0.804	S	S	*	*			trans	-69.9	116.7	179.1	25.5	-29.3	0	0	0	110.2	V373	P371-V373 PolarHBondContact O-N 3.34Å
372	E	25.2	Very low	26.9	Very low	162 Å²	162	148.2 Å²	148.2	76%	0.757	79%	0.791	S	S	*	*			trans	-62.8	102.2	159.3	-84.7	-173.5	161.7	0	0	108.6	C370 K374	C370-E372 PolarHBondContact O-N 3.49Å; E372-K374 PolarHBondContact O-N 3.46Å
373	V	25.8	Very low	27.1	Very low	126 Å²	126	149.5 Å²	149.5	76%	0.764	79%	0.788	S	S	*	*			trans	-69.8	97.3	166.9	-179.2	0	0	0	0	107.7	P371	P371-V373 PolarHBondContact O-N 3.34Å
374	K	29	Very low	27.2	Very low	171 Å²	171	145.3 Å²	145.3	74%	0.743	78%	0.775	S	S	*	*			trans	-77.1	121.6	168.2	-76.4	-179.2	178.2	173.1	0	109.2	E372 A376	E372-K374 PolarHBondContact O-N 3.46Å; K374-A376 PolarHBondContact O-N 2.9Å; K374-A376 VanDerWaalsContact O-N 3.07Å
375	F	25.7	Very low	27.2	Very low	205 Å²	205	145 Å²	145	90%	0.899	77%	0.77	S	S	*	*			trans	-55.7	108.7	169.4	-72.9	-89.3	0	0	0	110.3
376	A	28.4	Very low	27.4	Very low	96 Å²	96	142.5 Å²	142.5	79%	0.793	76%	0.758	S	S	*	*			trans	-93	109.5	161.8	0	0	0	0	0	107.9	K374 T378	K374-A376 PolarHBondContact O-N 2.9Å; K374-A376 VanDerWaalsContact O-N 3.07Å; A376-T378 PolarHBondContact O-N 3.43Å
377	Q	25.1	Very low	27.5	Very low	186 Å²	186	141.2 Å²	141.2	87%	0.869	76%	0.755	S	S	*	*			trans	-63.9	124.4	158.2	-68.7	178.6	-24.8	0	0	107
378	T	25.4	Very low	27.8	Very low	119 Å²	119	139 Å²	139	73%	0.73	75%	0.753	S	S	*	*			trans	-178.9	116.2	135.8	-58.7	0	0	0	0	109	A376	A376-T378 PolarHBondContact O-N 3.43Å
379	E	28	Very low	27.8	Very low	183 Å²	183	139.3 Å²	139.3	86%	0.855	75%	0.748	S	S	*	*			trans	62.2	104.3	151.5	-63.2	171.5	-175.7	0	0	121.6
380	N	26.6	Very low	27.8	Very low	147 Å²	147	142.1 Å²	142.1	79%	0.786	75%	0.745	S	S	*	*			trans	-49.9	153.6	147.9	-154.1	25.5	0	0	0	109.6
381	P	31.4	Very low	28	Very low	89 Å²	89	146.6 Å²	146.6	58%	0.578	75%	0.746	S	S	*	*			cis	-154.3	164.8	45.4	43.8	-21.2	0	0	0	120.6
382	N	29.7	Very low	27.9	Very low	129 Å²	129	150.2 Å²	150.2	69%	0.69	75%	0.754	S	S	*	*			trans	73.8	138.5	153.9	-53.9	-32.7	0	0	0	115.6
383	Q	29.1	Very low	28	Very low	164 Å²	164	147 Å²	147	77%	0.766	75%	0.754	S	S	*	*			cis	-174.9	133.8	6.7	-118	-173.4	-11.9	0	0	104.9
384	V	28.3	Very low	27.9	Very low	98 Å²	98	148 Å²	148	59%	0.594	76%	0.756	S	S	*	*				87.8	110.2	121.1	166.1	0	0	0	0	119.8
385	Q	28.7	Very low	27.7	Very low	159 Å²	159	148.6 Å²	148.6	74%	0.743	76%	0.761	S	S	*	*				73.5	140	126.8	-70.7	178.7	-14.2	0	0	118.1
386	D	30.4	Very low	27.7	Very low	119 Å²	119	144.1 Å²	144.1	64%	0.636	75%	0.754	S	S	*	*			cis	-167.1	131.5	18.9	-100.2	-26.8	0	0	0	111.2
387	Y	27	Very low	27.4	Very low	217 Å²	217	147.6 Å²	147.6	85%	0.851	75%	0.752	S	S	*	*				59.4	163.6	119.5	-89.3	-52.7	0	0	0	125.5
388	P	33.6	Very low	27.4	Very low	96 Å²	96	144.8 Å²	144.8	62%	0.623	74%	0.742	S	S	*	*				-134.2	-166.3	-121	49.9	-31.6	0	0	0	115
389	N	26.5	Very low	27.5	Very low	135 Å²	135	147.9 Å²	147.9	72%	0.722	75%	0.746	S	S	*	*			trans	159.9	140.6	144.5	-82.3	-4.6	0	0	0	107.8
390	E	27.2	Very low	27.4	Very low	151 Å²	151	145.4 Å²	145.4	71%	0.706	74%	0.738	S	S	*	*			cis	-178.3	154.5	39.3	-130.8	164.5	-128.7	0	0	110.3
391	Y	29.7	Very low	27.5	Very low	214 Å²	214	143.1 Å²	143.1	84%	0.839	73%	0.733	S	S	*	*			trans	91.7	103.5	165.8	-71.7	-81.4	0	0	0	122.6
392	E	24.3	Very low	27.3	Very low	188 Å²	188	145.7 Å²	145.7	88%	0.879	74%	0.735	S	S	*	*			trans	-64.7	135.1	166.6	-67.2	164.5	139.8	0	0	113.7
393	A	27.3	Very low	27.1	Very low	94 Å²	94	144.5 Å²	144.5	78%	0.777	74%	0.743	S	S	*	*			trans	-139	110.9	146.7	0	0	0	0	0	106.9	E395	A393-E395 PolarHBondContact O-N 3.39Å
394	D	24.7	Very low	27	Very low	149 Å²	149	138.4 Å²	138.4	80%	0.797	72%	0.724	S	S	*	*			trans	-40.8	109.3	-175.2	-76.5	-46.2	0	0	0	113.3	C396	D394-C396 PolarHBondContact O-N 3.01Å
395	E	24.7	Very low	26.9	Very low	183 Å²	183	144.5 Å²	144.5	86%	0.855	74%	0.743	S	S	*	*			trans	-65.2	76.3	163.6	-70.9	-177.3	145.1	0	0	109.4	A393 F397	A393-E395 PolarHBondContact O-N 3.39Å; E395-F397 PolarHBondContact O-N 3.12Å
396	C	24.8	Very low	27.1	Very low	111 Å²	111	139.7 Å²	139.7	75%	0.75	73%	0.727	S	S	*	*			trans	-95.4	84.1	169.1	-80.4	0	0	0	0	110.4	D394	D394-C396 PolarHBondContact O-N 3.01Å
397	F	23.1	Very low	27.2	Very low	168 Å²	168	136.4 Å²	136.4	74%	0.737	71%	0.713	S	S	*	*			trans	33.3	105.5	143.4	-68.5	-91.9	0	0	0	118.3	E395	E395-F397 PolarHBondContact O-N 3.12Å
398	L	25.5	Very low	27.4	Very low	128 Å²	128	133 Å²	133	67%	0.67	71%	0.709	S	S	*	*			trans	-136.8	43	150.3	-151.1	87.8	0	0	0	111.5
399	F	26	Very low	27.4	Very low	183 Å²	183	133.1 Å²	133.1	80%	0.803	70%	0.703	S	S	*	*	S	Bend	trans	-89.1	-6.1	170.8	-90.6	-80.2	0	0	0	113.5
400	D	25.7	Very low	27.8	Very low	131 Å²	131	131 Å²	131	70%	0.701	69%	0.689	S	S	*	*	S	Bend	trans	-101.9	2.7	-171.6	-68.4	-31.8	0	0	0	115.7
401	C	28.7	Very low	28.1	Very low	99 Å²	99	125.7 Å²	125.7	67%	0.669	67%	0.669	S	S	*	*	S	Bend	trans	-99.1	0.9	-179.2	-71.7	0	0	0	0	115.6
402	F	28.9	Very low	28.3	Very low	143 Å²	143	121.2 Å²	121.2	63%	0.627	66%	0.658	S	S	*	*			trans	-117.7	25.3	-178.6	-68.2	-78.6	0	0	0	113.9	G404	F402-G404 PolarHBondContact O-N 2.88Å
403	A	25	Very low	29	Very low	105 Å²	105	115.8 Å²	115.8	87%	0.868	64%	0.638	S	S	*	*			trans	-72.1	27.2	179.2	0	0	0	0	0	114.8
404	G	26.6	Very low	29.4	Very low	35 Å²	35	113.3 Å²	113.3	36%	0.361	61%	0.611	S	S	.	*	S	Bend	trans	-127.4	84.4	-177.4	0	0	0	0	0	113	F402 S406	F402-G404 PolarHBondContact O-N 2.88Å; G404-S406 PolarHBondContact O-N 3.03Å
405	K	27.4	Very low	30.2	Very low	226 Å²	226	110.9 Å²	110.9	98%	0.983	60%	0.597	S	S	*	*	S	Bend	trans	48	4.6	160.5	-79	-174.4	178.2	179.7	0	120.6
406	S	32.6	Very low	30.9	Very low	59 Å²	59	106.2 Å²	106.2	41%	0.413	58%	0.581	S	S	.	*			trans	-83.8	132.7	167.6	55.8	0	0	0	0	109.8	G404	G404-S406 PolarHBondContact O-N 3.03Å
407	S	32.8	Very low	31.7	Very low	49 Å²	49	107.7 Å²	107.7	34%	0.343	57%	0.572	S	S	.	*			trans	-63.5	140.7	-179.7	68.9	0	0	0	0	110.3	I409 E410 S411	S407-I409 PolarHBondContact O-N 3.23Å; S407-E410 PolarHBondContact N-OE2 3.46Å; S407-E410 VanDerWaalsContact N-OE2 3.17Å; S407-E410 PolarHBondContact O-N 2.96Å; S407-E410 WeakPolarHBondContact OG-CB 2.99Å; S407-E410 VanDerWaalsContact OG-CG 3.25Å; S407-E410 WeakPolarHBondContact OG-CG 3.37Å; S407-E410 PolarHBondContact OG-N 3.39Å; S407-E410 PolarHBondContact OG-OE2 3.35Å; S407-S411 PolarHBondContact O-OG 2.86Å
408	L	31.3	Very low	32.5	Very low	145 Å²	145	102.9 Å²	102.9	76%	0.759	55%	0.554	S	S	*	*	H	α-helix	trans	-55.7	-17.9	174.7	-80.6	161.1	0	0	0	113	S411	L408-S411 PolarHBondContact O-OG 3.21Å
409	I	33.2	Very low	33	Very low	100 Å²	100	102 Å²	102	51%	0.513	55%	0.55	S	S	.	.	H	α-helix	trans	-79.8	-42.6	-178.2	-63.9	166	0	0	0	110.9	S407 S411 L412 V413	S407-I409 PolarHBondContact O-N 3.23Å; I409-S411 PolarHBondContact O-N 2.74Å; I409-L412 WeakPolarHBondContact O-CB 3.11Å; I409-L412 PolarHBondContact O-N 3.41Å; I409-V413 WeakPolarHBondContact O-CG2 3.49Å; I409-V413 PolarHBondContact O-N 3.25Å
410	E	33.9	Very low	33.6	Very low	90 Å²	90	95.3 Å²	95.3	42%	0.421	53%	0.528	S	S	.	.	H	α-helix	trans	-65	-39.9	-177.7	-86.4	164.4	159.5	0	0	113.2	S407 L414 Y452	S407-E410 PolarHBondContact N-OE2 3.46Å; S407-E410 VanDerWaalsContact N-OE2 3.17Å; S407-E410 PolarHBondContact O-N 2.96Å; S407-E410 WeakPolarHBondContact OG-CB 2.99Å; S407-E410 VanDerWaalsContact OG-CG 3.25Å; S407-E410 WeakPolarHBondContact OG-CG 3.37Å; S407-E410 PolarHBondContact OG-N 3.39Å; S407-E410 PolarHBondContact OG-OE2 3.35Å; E410-L414 PolarHBondContact O-N 3Å; E410-Y452 VanDerWaalsContact CB-OH 3.24Å; E410-Y452 WeakPolarHBondContact CB-OH 3.43Å; E410-Y452 WeakPolarHBondContact CG-OH 3.37Å
411	S	33.6	Very low	34.1	Very low	40 Å²	40	90.8 Å²	90.8	28%	0.28	50%	0.501	S	S	.	.	H	α-helix	trans	-70.1	-36.1	175.4	36.2	0	0	0	0	112	S407 L408 I409 I415	S407-S411 PolarHBondContact O-OG 2.86Å; L408-S411 PolarHBondContact O-OG 3.21Å; I409-S411 PolarHBondContact O-N 2.74Å; S411-I415 WeakPolarHBondContact O-CB 3.45Å; S411-I415 WeakPolarHBondContact O-CD1 3.4Å; S411-I415 WeakPolarHBondContact O-CG1 3.39Å; S411-I415 PolarHBondContact O-N 3.43Å; S411-I415 VanDerWaalsContact O-N 3.16Å
412	L	34.7	Very low	34.5	Very low	119 Å²	119	89 Å²	89	62%	0.623	49%	0.488	S	S	*	.	H	α-helix	trans	-66	-40.4	175.7	-146.8	87.8	0	0	0	112.1	I409 T416	I409-L412 WeakPolarHBondContact O-CB 3.11Å; I409-L412 PolarHBondContact O-N 3.41Å; L412-T416 WeakPolarHBondContact O-CB 3.23Å; L412-T416 PolarHBondContact O-N 2.95Å; L412-T416 PolarHBondContact O-OG1 3.11Å
413	V	39.1	Very low	34.7	Very low	74 Å²	74	85.5 Å²	85.5	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-66.3	-44.1	179	171.5	0	0	0	0	111.2	I409 T416 Y417	I409-V413 WeakPolarHBondContact O-CG2 3.49Å; I409-V413 PolarHBondContact O-N 3.25Å; V413-T416 PolarHBondContact O-N 3.33Å; V413-Y417 WeakPolarHBondContact O-CB 3.46Å; V413-Y417 PolarHBondContact O-N 3.29Å
414	L	35.9	Very low	35	Very low	42 Å²	42	84.7 Å²	84.7	22%	0.22	47%	0.466	C	S	.	.	H	α-helix	trans	-63.5	-44.4	178.8	-146.5	89.8	0	0	0	111.5	E410 T416 Y417 I418 Y448 Y452	E410-L414 PolarHBondContact O-N 3Å; L414-T416 VanDerWaalsContact C-N 3.35Å; L414-Y417 PolarHBondContact O-N 3.01Å; L414-I418 HydrophobicContact CD2-CD1 4.28Å; L414-I418 HydrophobicContact CG-CD1 4.3Å; L414-I418 WeakPolarHBondContact O-CB 3.37Å; L414-I418 WeakPolarHBondContact O-CD1 3.36Å; L414-I418 VanDerWaalsContact O-CG1 3.22Å; L414-I418 WeakPolarHBondContact O-CG1 3.44Å; L414-I418 PolarHBondContact O-N 3.03Å; L414-Y448 HydrophobicContact CD1-CD1 4.02Å; L414-Y448 HydrophobicContact CD1-CE1 3.78Å; L414-Y452 HydrophobicContact CD1-CD1 4.46Å; L414-Y452 HydrophobicContact CD1-CD2 4.16Å; L414-Y452 HydrophobicContact CD1-CE1 4.47Å; L414-Y452 HydrophobicContact CD1-CE2 4.18Å; L414-Y452 HydrophobicContact CD1-CG 4.3Å
415	I	40.4	Very low	35.3	Very low	98 Å²	98	86.9 Å²	86.9	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176.9	-68.7	167.4	0	0	0	110.6	S411 N419	S411-I415 WeakPolarHBondContact O-CB 3.45Å; S411-I415 WeakPolarHBondContact O-CD1 3.4Å; S411-I415 WeakPolarHBondContact O-CG1 3.39Å; S411-I415 PolarHBondContact O-N 3.43Å; S411-I415 VanDerWaalsContact O-N 3.16Å; I415-N419 WeakPolarHBondContact CG2-ND2 3.3Å; I415-N419 VanDerWaalsContact O-CB 3.26Å; I415-N419 WeakPolarHBondContact O-CB 3.4Å; I415-N419 PolarHBondContact O-N 3.47Å; I415-N419 PolarHBondContact O-ND2 3.42Å
416	T	40.8	Very low	35.6	Very low	85 Å²	85	80.7 Å²	80.7	52%	0.521	45%	0.449	S	S	.	.	H	α-helix	trans	-64.3	-42.1	177.8	-55.7	0	0	0	0	111.5	L412 V413 L414 N419 A420	L412-T416 WeakPolarHBondContact O-CB 3.23Å; L412-T416 PolarHBondContact O-N 2.95Å; L412-T416 PolarHBondContact O-OG1 3.11Å; V413-T416 PolarHBondContact O-N 3.33Å; L414-T416 VanDerWaalsContact C-N 3.35Å; T416-N419 PolarHBondContact O-N 3.15Å; T416-A420 VanDerWaalsContact O-CB 3.28Å; T416-A420 WeakPolarHBondContact O-CB 3.29Å; T416-A420 PolarHBondContact O-N 3.26Å
417	Y	39.7	Very low	35.8	Very low	143 Å²	143	84.8 Å²	84.8	56%	0.561	47%	0.466	S	S	*	.	H	α-helix	trans	-68.3	-40.4	-179.8	-154.8	-93	0	0	0	112.2	V413 L414 A420 Y421 M445	V413-Y417 WeakPolarHBondContact O-CB 3.46Å; V413-Y417 PolarHBondContact O-N 3.29Å; L414-Y417 PolarHBondContact O-N 3.01Å; Y417-A420 PolarHBondContact O-N 2.73Å; Y417-Y421 PolarHBondContact O-N 3.23Å; Y417-M445 HydrophobicContact CE1-CG 4.18Å
418	I	39.8	Very low	35.8	Very low	67 Å²	67	89.6 Å²	89.6	34%	0.344	49%	0.485	S	S	.	.	H	α-helix	trans	-66.3	-38.8	175	-67.7	166.4	0	0	0	111	L414 P422	L414-I418 HydrophobicContact CD2-CD1 4.28Å; L414-I418 HydrophobicContact CG-CD1 4.3Å; L414-I418 WeakPolarHBondContact O-CB 3.37Å; L414-I418 WeakPolarHBondContact O-CD1 3.36Å; L414-I418 VanDerWaalsContact O-CG1 3.22Å; L414-I418 WeakPolarHBondContact O-CG1 3.44Å; L414-I418 PolarHBondContact O-N 3.03Å; I418-P422 WeakPolarHBondContact O-CD 3.2Å
419	N	36.9	Very low	36	Very low	110 Å²	110	90.7 Å²	90.7	59%	0.588	49%	0.492	S	S	*	.	H	α-helix	trans	-77.4	-24.3	179.1	-70.8	-20.7	0	0	0	113.6	I415 T416 P422	I415-N419 WeakPolarHBondContact CG2-ND2 3.3Å; I415-N419 VanDerWaalsContact O-CB 3.26Å; I415-N419 WeakPolarHBondContact O-CB 3.4Å; I415-N419 PolarHBondContact O-N 3.47Å; I415-N419 PolarHBondContact O-ND2 3.42Å; T416-N419 PolarHBondContact O-N 3.15Å; N419-P422 WeakPolarHBondContact O-CD 3.3Å
420	A	37.7	Very low	36.1	Very low	42 Å²	42	92 Å²	92	35%	0.347	50%	0.5	S	S	.	.	H	α-helix	trans	-78.8	-25.9	174.9	0	0	0	0	0	113	T416 Y417 S423 V424	T416-A420 VanDerWaalsContact O-CB 3.28Å; T416-A420 WeakPolarHBondContact O-CB 3.29Å; T416-A420 PolarHBondContact O-N 3.26Å; Y417-A420 PolarHBondContact O-N 2.73Å; A420-S423 PolarHBondContact O-N 3.1Å; A420-S423 VanDerWaalsContact O-N 3.13Å; A420-S423 PolarHBondContact O-OG 2.73Å; A420-V424 PolarHBondContact O-N 3.07Å
421	Y	37.5	Very low	36.3	Very low	36 Å²	36	96.1 Å²	96.1	14%	0.141	52%	0.516	C	S	.	.	H	α-helix	trans	-61.8	-39.8	-177.9	-149.1	-99.9	0	0	0	113.1	Y417 Y425 S441 M445	Y417-Y421 PolarHBondContact O-N 3.23Å; Y421-Y425 HydrophobicContact CD1-CD2 4.49Å; Y421-Y425 HydrophobicContact CE1-CD2 4.25Å; Y421-Y425 HydrophobicContact CE1-CE2 4.12Å; Y421-Y425 PolarHBondContact O-N 3.05Å; Y421-S441 PolarHBondContact OH-OG 2.92Å; Y421-M445 HydrophobicContact CD1-CE 4.15Å; Y421-M445 HydrophobicContact CD2-CE 3.53Å; Y421-M445 HydrophobicContact CE1-CE 3.8Å; Y421-M445 HydrophobicContact CE2-CE 3.14Å; Y421-M445 HydrophobicContact CG-CE 4.02Å
422	P	35.9	Very low	36.4	Very low	60 Å²	60	103.3 Å²	103.3	39%	0.39	54%	0.543	S	S	.	.	H	α-helix	trans	-65.6	-35.1	170.6	-23	32.9	0	0	0	114.5	I418 N419 Y425 S426	I418-P422 WeakPolarHBondContact O-CD 3.2Å; N419-P422 WeakPolarHBondContact O-CD 3.3Å; P422-Y425 PolarHBondContact O-N 3.19Å; P422-S426 PolarHBondContact O-N 2.89Å; P422-S426 PolarHBondContact O-OG 2.8Å; P422-S426 VanDerWaalsContact O-OG 3.08Å
423	S	33.3	Very low	36.5	Very low	71 Å²	71	103 Å²	103	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-73.1	-30.8	-175.6	61.5	0	0	0	0	113.1	A420 S426	A420-S423 PolarHBondContact O-N 3.1Å; A420-S423 VanDerWaalsContact O-N 3.13Å; A420-S423 PolarHBondContact O-OG 2.73Å; S423-S426 PolarHBondContact O-OG 2.92Å
424	V	32.5	Very low	36.1	Very low	87 Å²	87	103.7 Å²	103.7	53%	0.527	54%	0.541	S	S	.	.	H	α-helix	trans	-72.2	-34.2	173	-179.9	0	0	0	0	110.8	A420	A420-V424 PolarHBondContact O-N 3.07Å
425	Y	32.7	Very low	35.7	Very low	81 Å²	81	109.6 Å²	109.6	32%	0.318	56%	0.561	S	S	.	*	H	α-helix	trans	-73.8	-24.5	-178	-117.2	-89.9	0	0	0	114.3	Y421 P422 N427 F438	Y421-Y425 HydrophobicContact CD1-CD2 4.49Å; Y421-Y425 HydrophobicContact CE1-CD2 4.25Å; Y421-Y425 HydrophobicContact CE1-CE2 4.12Å; Y421-Y425 PolarHBondContact O-N 3.05Å; P422-Y425 PolarHBondContact O-N 3.19Å; Y425-N427 VanDerWaalsContact C-N 3.28Å; Y425-N427 PolarHBondContact O-N 3Å; Y425-F438 HydrophobicContact CE2-CD2 4.43Å; Y425-F438 WeakPolarHBondContact OH-CD2 3.04Å
426	S	34.3	Very low	35.3	Very low	97 Å²	97	112.2 Å²	112.2	68%	0.678	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-11.8	177.6	26.9	0	0	0	0	114.8	P422 S423	P422-S426 PolarHBondContact O-N 2.89Å; P422-S426 PolarHBondContact O-OG 2.8Å; P422-S426 VanDerWaalsContact O-OG 3.08Å; S423-S426 PolarHBondContact O-OG 2.92Å
427	N	35.3	Very low	34.9	Very low	144 Å²	144	113.5 Å²	113.5	77%	0.77	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	6.9	-167.5	-127.9	-6.6	0	0	0	115.1	Y425	Y425-N427 VanDerWaalsContact C-N 3.28Å; Y425-N427 PolarHBondContact O-N 3Å
428	M	33.1	Very low	34.3	Very low	151 Å²	151	107.8 Å²	107.8	74%	0.744	55%	0.553	S	S	*	*			trans	-116.6	99.1	-175.2	-70.1	-162	165.9	0	0	112.6	N430	M428-N430 PolarHBondContact O-N 3.27Å
429	N	35.6	Very low	33.9	Very low	167 Å²	167	111.4 Å²	111.4	89%	0.893	56%	0.563	S	S	*	*			trans	-74.7	5.4	-178.7	-83.4	-26.3	0	0	0	115.5
430	N	36.4	Very low	33.7	Very low	128 Å²	128	109.6 Å²	109.6	68%	0.684	56%	0.56	S	S	*	*			trans	-108.4	91	-168.9	-119.7	-17.4	0	0	0	113.2	M428 K432	M428-N430 PolarHBondContact O-N 3.27Å; N430-K432 PolarHBondContact O-N 3.46Å; N430-K432 VanDerWaalsContact O-N 3.11Å
431	K	38.3	Very low	33.4	Very low	177 Å²	177	110 Å²	110	77%	0.77	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-11.7	-174.2	-73.2	177.7	178.3	171.1	0	116.3	M434	K431-M434 HydrophobicContact CB-SD 4.3Å; K431-M434 HydrophobicContact CG-SD 4.18Å
432	K	34.8	Very low	33.1	Very low	190 Å²	190	108.6 Å²	108.6	83%	0.826	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-28.2	-168.1	-132.8	177.2	-178	-178.4	0	114.5	N430	N430-K432 PolarHBondContact O-N 3.46Å; N430-K432 VanDerWaalsContact O-N 3.11Å
433	N	36.1	Very low	33	Very low	113 Å²	113	109.2 Å²	109.2	60%	0.604	56%	0.56	S	S	*	*	S	Bend	trans	-92.6	-0.9	173.2	-68.4	-2.2	0	0	0	112.6	Y435	N433-Y435 PolarHBondContact O-N 2.87Å; N433-Y435 VanDerWaalsContact O-N 3.13Å
434	M	31.6	Very low	33	Very low	88 Å²	88	112.2 Å²	112.2	43%	0.433	57%	0.566	S	S	.	*	H	α-helix	trans	-53.9	-31.8	-177.9	-93.3	-177.4	64.1	0	0	114.7	K431 F438	K431-M434 HydrophobicContact CB-SD 4.3Å; K431-M434 HydrophobicContact CG-SD 4.18Å; M434-F438 WeakPolarHBondContact O-CB 3.43Å
435	Y	27.9	Very low	33.1	Very low	166 Å²	166	109.2 Å²	109.2	65%	0.651	55%	0.546	S	S	*	.	H	α-helix	trans	-82.4	-42.2	-170.6	-77.9	-85.7	0	0	0	112.8	N433 Y439	N433-Y435 PolarHBondContact O-N 2.87Å; N433-Y435 VanDerWaalsContact O-N 3.13Å; Y435-Y439 HydrophobicContact CD1-CE2 4.44Å; Y435-Y439 WeakPolarHBondContact O-CD2 3.42Å; Y435-Y439 PolarHBondContact O-N 2.99Å
436	H	30.6	Very low	33.1	Very low	153 Å²	153	106.2 Å²	106.2	71%	0.708	54%	0.536	S	S	*	.	H	α-helix	trans	-76.3	-42.8	-170.5	-128	-74.1	0	0	0	112.6	F438 S440	H436-F438 VanDerWaalsContact C-N 3.31Å; H436-F438 PolarHBondContact O-N 2.78Å; H436-S440 PolarHBondContact O-N 3.34Å; H436-S440 PolarHBondContact O-OG 3.45Å
437	D	32.1	Very low	33.2	Very low	112 Å²	112	106.2 Å²	106.2	60%	0.599	53%	0.525	S	S	*	.	H	α-helix	trans	-72.6	-27.4	177.8	-65.1	-28.2	0	0	0	112	S441	D437-S441 WeakPolarHBondContact O-CB 3.47Å; D437-S441 PolarHBondContact O-N 3.42Å; D437-S441 VanDerWaalsContact O-N 3.09Å; D437-S441 PolarHBondContact O-OG 3.09Å
438	F	28.5	Very low	33.3	Very low	23 Å²	23	105.3 Å²	105.3	10%	0.101	51%	0.512	C	S	.	.	H	α-helix	trans	-64.4	-49.4	173.6	177.2	-106.2	0	0	0	111.8	Y425 M434 H436 S440 S441 Q442 L534 L537	Y425-F438 HydrophobicContact CE2-CD2 4.43Å; Y425-F438 WeakPolarHBondContact OH-CD2 3.04Å; M434-F438 WeakPolarHBondContact O-CB 3.43Å; H436-F438 VanDerWaalsContact C-N 3.31Å; H436-F438 PolarHBondContact O-N 2.78Å; F438-S440 PolarHBondContact O-N 2.94Å; F438-S441 PolarHBondContact O-OG 3.43Å; F438-Q442 HydrophobicContact CD2-CG 4.36Å; F438-Q442 VanDerWaalsContact CE1-CD 3.48Å; F438-Q442 HydrophobicContact CE1-CG 4.46Å; F438-Q442 HydrophobicContact CE2-CG 4.29Å; F438-Q442 VanDerWaalsContact CZ-CD 3.47Å; F438-Q442 HydrophobicContact CZ-CG 4.36Å; F438-Q442 VanDerWaalsContact O-CB 3.25Å; F438-Q442 WeakPolarHBondContact O-CB 3.37Å; F438-Q442 VanDerWaalsContact O-CG 3.22Å; F438-Q442 WeakPolarHBondContact O-CG 3.39Å; F438-Q442 PolarHBondContact O-N 3.01Å; F438-L534 HydrophobicContact CE2-CD1 4.31Å; F438-L537 HydrophobicContact CZ-CB 4.25Å; F438-L537 HydrophobicContact CZ-CD1 4.44Å
439	Y	31	Very low	33.4	Very low	143 Å²	143	99.5 Å²	99.5	56%	0.561	48%	0.483	S	S	*	.	H	α-helix	trans	-65.1	-41.1	179.8	-80.9	-71.2	0	0	0	112.5	Y435 Q442 S443	Y435-Y439 HydrophobicContact CD1-CE2 4.44Å; Y435-Y439 WeakPolarHBondContact O-CD2 3.42Å; Y435-Y439 PolarHBondContact O-N 2.99Å; Y439-Q442 PolarHBondContact O-N 2.84Å; Y439-S443 PolarHBondContact O-N 3.1Å; Y439-S443 PolarHBondContact O-OG 2.65Å
440	S	32.1	Very low	33.3	Very low	73 Å²	73	97.7 Å²	97.7	51%	0.51	47%	0.47	S	S	.	.	H	α-helix	trans	-68.1	-39.4	179.8	-63.6	0	0	0	0	113.5	H436 F438	H436-S440 PolarHBondContact O-N 3.34Å; H436-S440 PolarHBondContact O-OG 3.45Å; F438-S440 PolarHBondContact O-N 2.94Å
441	S	32.7	Very low	33.3	Very low	49 Å²	49	98 Å²	98	34%	0.343	47%	0.47	S	S	.	.	H	α-helix	trans	-73	-33.1	175.3	57.4	0	0	0	0	112.3	Y421 D437 F438 M445	Y421-S441 PolarHBondContact OH-OG 2.92Å; D437-S441 WeakPolarHBondContact O-CB 3.47Å; D437-S441 PolarHBondContact O-N 3.42Å; D437-S441 VanDerWaalsContact O-N 3.09Å; D437-S441 PolarHBondContact O-OG 3.09Å; F438-S441 PolarHBondContact O-OG 3.43Å; S441-M445 PolarHBondContact O-N 2.98Å; S441-M445 VanDerWaalsContact O-N 3.16Å
442	Q	30.6	Very low	33.1	Very low	8 Å²	8	93.2 Å²	93.2	4%	0.037	45%	0.448	C	S	.	.	H	α-helix	trans	-63.2	-46.6	171.8	-80.9	-164.8	-25.7	0	0	112	F438 Y439 H444 M445 M446	F438-Q442 HydrophobicContact CD2-CG 4.36Å; F438-Q442 VanDerWaalsContact CE1-CD 3.48Å; F438-Q442 HydrophobicContact CE1-CG 4.46Å; F438-Q442 HydrophobicContact CE2-CG 4.29Å; F438-Q442 VanDerWaalsContact CZ-CD 3.47Å; F438-Q442 HydrophobicContact CZ-CG 4.36Å; F438-Q442 VanDerWaalsContact O-CB 3.25Å; F438-Q442 WeakPolarHBondContact O-CB 3.37Å; F438-Q442 VanDerWaalsContact O-CG 3.22Å; F438-Q442 WeakPolarHBondContact O-CG 3.39Å; F438-Q442 PolarHBondContact O-N 3.01Å; Y439-Q442 PolarHBondContact O-N 2.84Å; Q442-H444 VanDerWaalsContact C-N 3.3Å; Q442-H444 PolarHBondContact O-N 2.91Å; Q442-M445 CarbonylContact O-C 3.6Å; Q442-M445 PolarHBondContact O-N 2.65Å; Q442-M445 VanDerWaalsContact O-N 3.1Å; Q442-M446 VanDerWaalsContact O-CB 3.27Å; Q442-M446 WeakPolarHBondContact O-CB 3.45Å; Q442-M446 WeakPolarHBondContact O-CG 3.19Å; Q442-M446 PolarHBondContact O-N 3Å
443	S	33.3	Very low	33	Very low	72 Å²	72	87.3 Å²	87.3	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-58.6	-39.4	-179.5	-64.1	0	0	0	0	113.3	Y439 M446 E447	Y439-S443 PolarHBondContact O-N 3.1Å; Y439-S443 PolarHBondContact O-OG 2.65Å; S443-M446 PolarHBondContact O-N 3.25Å; S443-E447 PolarHBondContact O-N 3.29Å
444	H	34.5	Very low	32.9	Very low	134 Å²	134	86.6 Å²	86.6	62%	0.62	43%	0.429	S	S	*	.	H	α-helix	trans	-67.9	-40.4	174.9	-100.4	-86	0	0	0	112.7	Q442 M446 Y448	Q442-H444 VanDerWaalsContact C-N 3.3Å; Q442-H444 PolarHBondContact O-N 2.91Å; H444-M446 VanDerWaalsContact C-N 3.27Å; H444-M446 PolarHBondContact O-N 3.39Å; H444-Y448 PolarHBondContact O-N 2.79Å
445	M	32.6	Very low	32.9	Very low	24 Å²	24	86.7 Å²	86.7	12%	0.118	43%	0.434	C	S	.	.	H	α-helix	trans	-66.3	-35.1	175.4	-151.4	-159.9	-50.3	0	0	111.2	Y417 Y421 S441 Q442 Y448 L449	Y417-M445 HydrophobicContact CE1-CG 4.18Å; Y421-M445 HydrophobicContact CD1-CE 4.15Å; Y421-M445 HydrophobicContact CD2-CE 3.53Å; Y421-M445 HydrophobicContact CE1-CE 3.8Å; Y421-M445 HydrophobicContact CE2-CE 3.14Å; Y421-M445 HydrophobicContact CG-CE 4.02Å; S441-M445 PolarHBondContact O-N 2.98Å; S441-M445 VanDerWaalsContact O-N 3.16Å; Q442-M445 CarbonylContact O-C 3.6Å; Q442-M445 PolarHBondContact O-N 2.65Å; Q442-M445 VanDerWaalsContact O-N 3.1Å; M445-Y448 PolarHBondContact O-N 3.03Å; M445-L449 HydrophobicContact CG-CD1 4.22Å; M445-L449 WeakPolarHBondContact O-CB 3.34Å; M445-L449 WeakPolarHBondContact O-CG 3.43Å; M445-L449 PolarHBondContact O-N 2.87Å; M445-L449 HydrophobicContact SD-CD1 4.24Å
446	M	33.3	Very low	32.9	Very low	19 Å²	19	86.9 Å²	86.9	9%	0.094	44%	0.435	C	S	.	.	H	α-helix	trans	-69.2	-44.3	179.5	-77.2	-50.8	-40.9	0	0	112.6	Q442 S443 H444 Y448 L449 E450 A542	Q442-M446 VanDerWaalsContact O-CB 3.27Å; Q442-M446 WeakPolarHBondContact O-CB 3.45Å; Q442-M446 WeakPolarHBondContact O-CG 3.19Å; Q442-M446 PolarHBondContact O-N 3Å; S443-M446 PolarHBondContact O-N 3.25Å; H444-M446 VanDerWaalsContact C-N 3.27Å; H444-M446 PolarHBondContact O-N 3.39Å; M446-Y448 PolarHBondContact O-N 3.31Å; M446-L449 PolarHBondContact O-N 2.98Å; M446-E450 HydrophobicContact CE-CG 4.47Å; M446-E450 WeakPolarHBondContact O-CB 3.33Å; M446-E450 WeakPolarHBondContact O-CG 3.45Å; M446-E450 PolarHBondContact O-N 3.49Å; M446-A542 HydrophobicContact CE-CB 3.34Å; M446-A542 HydrophobicContact SD-CB 3.67Å
447	E	37.1	Very low	32.9	Very low	96 Å²	96	84.2 Å²	84.2	45%	0.449	43%	0.431	S	S	.	.	H	α-helix	trans	-61.1	-35	172.9	-81	-177.8	167.6	0	0	111.6	S443 L451	S443-E447 PolarHBondContact O-N 3.29Å; E447-L451 WeakPolarHBondContact O-CD1 3.17Å; E447-L451 PolarHBondContact O-N 3.01Å
448	Y	37	Very low	32.9	Very low	126 Å²	126	84.3 Å²	84.3	49%	0.494	43%	0.428	S	S	.	.	H	α-helix	trans	-72.3	-40	177.6	-153.7	-90.1	0	0	0	112.5	L414 H444 M445 M446 Y452	L414-Y448 HydrophobicContact CD1-CD1 4.02Å; L414-Y448 HydrophobicContact CD1-CE1 3.78Å; H444-Y448 PolarHBondContact O-N 2.79Å; M445-Y448 PolarHBondContact O-N 3.03Å; M446-Y448 PolarHBondContact O-N 3.31Å; Y448-Y452 HydrophobicContact CD1-CD2 4.18Å; Y448-Y452 HydrophobicContact CD1-CE2 4.45Å; Y448-Y452 AromaticContact CE1-CD2 3.95Å; Y448-Y452 HydrophobicContact CE1-CD2 3.95Å; Y448-Y452 AromaticContact CE1-CE2 3.77Å; Y448-Y452 HydrophobicContact CE1-CE2 3.77Å; Y448-Y452 PolarHBondContact O-N 2.98Å
449	L	34.9	Very low	33	Very low	29 Å²	29	89 Å²	89	15%	0.152	45%	0.453	C	S	.	.	H	α-helix	trans	-69.7	-39.8	175.2	-83.4	158.1	0	0	0	111.9	M445 M446 L451 Y452 I453	M445-L449 HydrophobicContact CG-CD1 4.22Å; M445-L449 WeakPolarHBondContact O-CB 3.34Å; M445-L449 WeakPolarHBondContact O-CG 3.43Å; M445-L449 PolarHBondContact O-N 2.87Å; M445-L449 HydrophobicContact SD-CD1 4.24Å; M446-L449 PolarHBondContact O-N 2.98Å; L449-L451 VanDerWaalsContact C-N 3.32Å; L449-L451 PolarHBondContact O-N 3.07Å; L449-Y452 PolarHBondContact O-N 2.88Å; L449-Y452 VanDerWaalsContact O-N 3.13Å; L449-I453 HydrophobicContact CB-CD1 4.04Å; L449-I453 HydrophobicContact CD2-CD1 4.32Å; L449-I453 VanDerWaalsContact O-CB 3.28Å; L449-I453 WeakPolarHBondContact O-CB 3.27Å; L449-I453 WeakPolarHBondContact O-CD1 3.29Å; L449-I453 WeakPolarHBondContact O-CG1 3.35Å; L449-I453 PolarHBondContact O-N 2.84Å
450	E	34.8	Very low	33.1	Very low	129 Å²	129	86.2 Å²	86.2	60%	0.603	45%	0.447	S	S	*	.	H	α-helix	trans	-62.7	-36.9	175.8	-79.7	-173	164.8	0	0	112.7	M446	M446-E450 HydrophobicContact CE-CG 4.47Å; M446-E450 WeakPolarHBondContact O-CB 3.33Å; M446-E450 WeakPolarHBondContact O-CG 3.45Å; M446-E450 PolarHBondContact O-N 3.49Å
451	L	36.3	Very low	33	Very low	133 Å²	133	88.2 Å²	88.2	70%	0.696	46%	0.456	S	S	*	.	H	α-helix	trans	-64.1	-39.4	172.1	-86.9	158.3	0	0	0	112	E447 L449 S454	E447-L451 WeakPolarHBondContact O-CD1 3.17Å; E447-L451 PolarHBondContact O-N 3.01Å; L449-L451 VanDerWaalsContact C-N 3.32Å; L449-L451 PolarHBondContact O-N 3.07Å; L451-S454 PolarHBondContact O-OG 3.01Å
452	Y	32.3	Very low	33	Very low	78 Å²	78	92.6 Å²	92.6	31%	0.306	47%	0.466	S	S	.	.	H	α-helix	trans	-79.4	-34.1	-179	-105.9	-92	0	0	0	114.5	E410 L414 Y448 L449 S454	E410-Y452 VanDerWaalsContact CB-OH 3.24Å; E410-Y452 WeakPolarHBondContact CB-OH 3.43Å; E410-Y452 WeakPolarHBondContact CG-OH 3.37Å; L414-Y452 HydrophobicContact CD1-CD1 4.46Å; L414-Y452 HydrophobicContact CD1-CD2 4.16Å; L414-Y452 HydrophobicContact CD1-CE1 4.47Å; L414-Y452 HydrophobicContact CD1-CE2 4.18Å; L414-Y452 HydrophobicContact CD1-CG 4.3Å; Y448-Y452 HydrophobicContact CD1-CD2 4.18Å; Y448-Y452 HydrophobicContact CD1-CE2 4.45Å; Y448-Y452 AromaticContact CE1-CD2 3.95Å; Y448-Y452 HydrophobicContact CE1-CD2 3.95Å; Y448-Y452 AromaticContact CE1-CE2 3.77Å; Y448-Y452 HydrophobicContact CE1-CE2 3.77Å; Y448-Y452 PolarHBondContact O-N 2.98Å; L449-Y452 PolarHBondContact O-N 2.88Å; L449-Y452 VanDerWaalsContact O-N 3.13Å; Y452-S454 PolarHBondContact O-N 2.86Å
453	I	34.7	Very low	32.9	Very low	65 Å²	65	97.8 Å²	97.8	33%	0.333	50%	0.503	S	S	.	.	H	α-helix	trans	-73.1	-10.6	-176.5	-70.2	164.6	0	0	0	111.9	L449 V455 I472 M473	L449-I453 HydrophobicContact CB-CD1 4.04Å; L449-I453 HydrophobicContact CD2-CD1 4.32Å; L449-I453 VanDerWaalsContact O-CB 3.28Å; L449-I453 WeakPolarHBondContact O-CB 3.27Å; L449-I453 WeakPolarHBondContact O-CD1 3.29Å; L449-I453 WeakPolarHBondContact O-CG1 3.35Å; L449-I453 PolarHBondContact O-N 2.84Å; I453-V455 PolarHBondContact O-N 3.11Å; I453-I472 HydrophobicContact CG2-CG2 3.74Å; I453-M473 HydrophobicContact CD1-SD 4.41Å
454	S	33.7	Very low	32.6	Very low	99 Å²	99	98.3 Å²	98.3	69%	0.692	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	5.9	175.1	77.4	0	0	0	0	115.1	L451 Y452	L451-S454 PolarHBondContact O-OG 3.01Å; Y452-S454 PolarHBondContact O-N 2.86Å
455	V	31.7	Very low	32.3	Very low	89 Å²	89	102.1 Å²	102.1	54%	0.539	52%	0.516	S	S	.	.	S	Bend	trans	-120.6	100.4	-169	-169.6	0	0	0	0	109.9	I453	I453-V455 PolarHBondContact O-N 3.11Å
456	Y	27.9	Very low	32.4	Very low	170 Å²	170	105.2 Å²	105.2	67%	0.667	54%	0.539	S	S	*	.			trans	92.3	102.3	172.7	-59.5	-77.6	0	0	0	119.7
457	P	29.7	Very low	32.8	Very low	97 Å²	97	106.1 Å²	106.1	63%	0.63	55%	0.546	S	S	*	.			trans	-82.1	119.2	158.3	30.1	-28.3	0	0	0	111
458	Q	32.2	Very low	33.2	Very low	115 Å²	115	109.1 Å²	109.1	54%	0.537	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.7	124.2	163.2	-71.3	-177.4	2.4	0	0	109.2	K471	Q458-K471 HydrophobicContact CB-CD 4.38Å; Q458-K471 WeakPolarHBondContact O-CB 3.05Å; Q458-K471 PolarHBondContact O-N 3.33Å
459	I	30	Very low	34	Very low	121 Å²	121	104.6 Å²	104.6	62%	0.621	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	115.5	177.3	-60.9	172.9	0	0	0	108.2	T461	I459-T461 HydrophobicContact CG2-CG2 4.42Å
460	L	33.7	Very low	34.7	Very low	84 Å²	84	106.4 Å²	106.4	44%	0.44	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.1	171.3	-81.7	161.1	0	0	0	109.2	K471 I479	L460-K471 HydrophobicContact CD1-CB 4.25Å; L460-K471 HydrophobicContact CD1-CD 4.03Å; L460-K471 HydrophobicContact CD1-CG 4.31Å; L460-I479 HydrophobicContact CD1-CG2 4.49Å
461	T	29	Very low	35.8	Very low	116 Å²	116	102 Å²	102	71%	0.712	52%	0.523	S	S	*	.			trans	-101	112.8	169.6	40.3	0	0	0	0	109.7	I459	I459-T461 HydrophobicContact CG2-CG2 4.42Å
462	Y	32.7	Very low	36.8	Very low	140 Å²	140	97.8 Å²	97.8	55%	0.549	50%	0.5	S	S	.	.			trans	-113.3	133.5	170	-158.8	-98.2	0	0	0	110.4	S464	Y462-S464 PolarHBondContact O-N 2.9Å
463	S	28.6	Very low	37.8	Very low	117 Å²	117	96.1 Å²	96.1	82%	0.818	50%	0.496	S	S	*	.			trans	-93.1	98.7	-174.1	-178.4	0	0	0	0	111.6
464	S	27.4	Very low	38.7	Very low	83 Å²	83	97.9 Å²	97.9	58%	0.58	50%	0.503	S	S	*	.	S	Bend	trans	-158.5	89.4	138.1	62	0	0	0	0	107.3	Y462	Y462-S464 PolarHBondContact O-N 2.9Å
465	R	28.4	Very low	39.3	Very low	214 Å²	214	96.7 Å²	96.7	81%	0.808	49%	0.488	S	S	*	.	S	Bend	trans	64.4	83.1	175.3	-56.7	179.8	-178.9	174.4	0.8	115.4	V467	R465-V467 PolarHBondContact O-N 3.35Å
466	C	34.7	Very low	40.5	Very low	90 Å²	90	95.2 Å²	95.2	61%	0.608	49%	0.491	S	S	*	.	S	Bend	trans	62.6	42.4	140.3	-64.1	0	0	0	0	119.9
467	V	42.9	Very low	41.5	Very low	38 Å²	38	90.6 Å²	90.6	23%	0.23	48%	0.477	C	S	.	.			trans	-119	116.3	160.8	-158.9	0	0	0	0	110.3	R465 F469 L491	R465-V467 PolarHBondContact O-N 3.35Å; V467-F469 HydrophobicContact CB-CD2 4.42Å; V467-F469 HydrophobicContact CB-CE1 3.99Å; V467-F469 HydrophobicContact CB-CE2 3.57Å; V467-F469 HydrophobicContact CB-CZ 3.33Å; V467-F469 HydrophobicContact CG1-CD1 3.89Å; V467-F469 HydrophobicContact CG1-CD2 4.3Å; V467-F469 HydrophobicContact CG1-CE1 3.15Å; V467-F469 HydrophobicContact CG1-CE2 3.68Å; V467-F469 HydrophobicContact CG1-CG 4.41Å; V467-F469 HydrophobicContact CG1-CZ 3.06Å; V467-F469 HydrophobicContact CG2-CZ 4.2Å; V467-L491 HydrophobicContact CG2-CD1 3.89Å
468	R	44.5	Very low	42.3	Very low	158 Å²	158	87.1 Å²	87.1	60%	0.596	45%	0.454	S	S	*	.			trans	-86.7	134.3	169.3	-72.1	-175.9	-174.9	178.3	0.4	107.3	L484	R468-L484 HydrophobicContact CB-CB 3.71Å; R468-L484 HydrophobicContact CB-CD1 4.04Å; R468-L484 PolarHBondContact O-N 3.45Å
469	F	53	Low	43.4	Very low	31 Å²	31	82.9 Å²	82.9	14%	0.136	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145	172	-47.1	-87.1	0	0	0	110.3	V467 A481 K482 T483 L518	V467-F469 HydrophobicContact CB-CD2 4.42Å; V467-F469 HydrophobicContact CB-CE1 3.99Å; V467-F469 HydrophobicContact CB-CE2 3.57Å; V467-F469 HydrophobicContact CB-CZ 3.33Å; V467-F469 HydrophobicContact CG1-CD1 3.89Å; V467-F469 HydrophobicContact CG1-CD2 4.3Å; V467-F469 HydrophobicContact CG1-CE1 3.15Å; V467-F469 HydrophobicContact CG1-CE2 3.68Å; V467-F469 HydrophobicContact CG1-CG 4.41Å; V467-F469 HydrophobicContact CG1-CZ 3.06Å; V467-F469 HydrophobicContact CG2-CZ 4.2Å; F469-A481 HydrophobicContact CB-CB 3.76Å; F469-A481 HydrophobicContact CG-CB 4.42Å; F469-K482 CarbonylContact C-O 3.44Å; F469-K482 WeakPolarHBondContact CA-O 3.13Å; F469-T483 HydrophobicContact CD1-CG2 3.65Å; F469-T483 HydrophobicContact CE1-CG2 3.52Å; F469-L518 HydrophobicContact CD1-CB 4.14Å; F469-L518 HydrophobicContact CD1-CD2 3.78Å; F469-L518 HydrophobicContact CE1-CB 4.02Å; F469-L518 HydrophobicContact CE1-CD1 4.21Å; F469-L518 HydrophobicContact CE1-CD2 3.3Å; F469-L518 HydrophobicContact CE1-CG 4.06Å; F469-L518 HydrophobicContact CE2-CD2 4.11Å; F469-L518 HydrophobicContact CG-CD2 4.36Å; F469-L518 HydrophobicContact CZ-CD2 3.46Å; F469-L518 VanDerWaalsContact CZ-CD2 3.46Å
470	E	50.4	Low	44.9	Very low	68 Å²	68	77.6 Å²	77.6	32%	0.318	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.4	168.4	-177.3	171.8	-156.7	0	0	107.1	I472 A481 K482 L484	E470-I472 PolarHBondContact O-N 2.92Å; E470-A481 CarbonylContact O-C 3.59Å; E470-A481 WeakPolarHBondContact O-CA 3.25Å; E470-K482 HydrophobicContact CB-CB 4.31Å; E470-K482 PolarHBondContact N-O 3.22Å; E470-K482 PolarHBondContact O-N 3.46Å; E470-L484 HydrophobicContact CB-CD1 4Å; E470-L484 HydrophobicContact CB-CD2 4.38Å; E470-L484 HydrophobicContact CB-CG 4.05Å
471	K	58.4	Low	46	Very low	36 Å²	36	73.8 Å²	73.8	16%	0.157	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	119.9	174.7	-173.7	-173.2	-177.5	-175.7	0	107.8	Q458 L460 Q474 I479	Q458-K471 HydrophobicContact CB-CD 4.38Å; Q458-K471 WeakPolarHBondContact O-CB 3.05Å; Q458-K471 PolarHBondContact O-N 3.33Å; L460-K471 HydrophobicContact CD1-CB 4.25Å; L460-K471 HydrophobicContact CD1-CD 4.03Å; L460-K471 HydrophobicContact CD1-CG 4.31Å; K471-Q474 VanDerWaalsContact CE-CB 3.47Å; K471-Q474 VanDerWaalsContact CE-OE1 3.3Å; K471-I479 HydrophobicContact CG-CG2 3.95Å
472	I	56.8	Low	47.1	Very low	44 Å²	44	73.3 Å²	73.3	23%	0.226	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-44.7	177.4	-58.7	166.1	0	0	0	109.6	I453 E470 L480 K482 F543	I453-I472 HydrophobicContact CG2-CG2 3.74Å; E470-I472 PolarHBondContact O-N 2.92Å; I472-L480 HydrophobicContact CB-CB 4.45Å; I472-L480 HydrophobicContact CB-CD2 4.01Å; I472-L480 HydrophobicContact CB-CG 4.12Å; I472-L480 HydrophobicContact CD1-CD2 4.16Å; I472-L480 HydrophobicContact CD1-CG 4.06Å; I472-L480 HydrophobicContact CG2-CD2 3.95Å; I472-L480 PolarHBondContact N-O 3.49Å; I472-K482 HydrophobicContact CD1-CB 3.66Å; I472-K482 HydrophobicContact CG1-CB 4.04Å; I472-F543 HydrophobicContact CD1-CE1 4.02Å; I472-F543 HydrophobicContact CD1-CZ 3.61Å
473	M	53.6	Low	48.2	Very low	44 Å²	44	67.9 Å²	67.9	22%	0.217	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	150.9	-173.3	-170.2	173.8	67	0	0	110.5	I453 I475 I479 L480 L539	I453-M473 HydrophobicContact CD1-SD 4.41Å; M473-I475 HydrophobicContact CE-CD1 3.46Å; M473-I475 VanDerWaalsContact CE-CD1 3.46Å; M473-I475 HydrophobicContact CE-CG1 3.98Å; M473-I475 HydrophobicContact CG-CD1 4.47Å; M473-I475 HydrophobicContact CG-CG1 4.1Å; M473-I475 HydrophobicContact SD-CD1 3.78Å; M473-I475 HydrophobicContact SD-CG1 4.07Å; M473-I479 WeakPolarHBondContact O-CA 3.48Å; M473-L480 HydrophobicContact CB-CB 4.06Å; M473-L480 HydrophobicContact CB-CD2 4.38Å; M473-L480 PolarHBondContact N-O 3.36Å; M473-L480 PolarHBondContact O-N 2.88Å; M473-L539 HydrophobicContact CE-CD2 4.03Å
474	Q	53.9	Low	49.3	Very low	102 Å²	102	66.4 Å²	66.4	48%	0.477	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.6	166.4	177.7	179	-7.7	0	0	109.3	K471 G476 V478 I479	K471-Q474 VanDerWaalsContact CE-CB 3.47Å; K471-Q474 VanDerWaalsContact CE-OE1 3.3Å; Q474-G476 PolarHBondContact NE2-O 3.21Å; Q474-G476 VanDerWaalsContact NE2-O 3.16Å; Q474-V478 CarbonylContact C-O 3.58Å; Q474-V478 VanDerWaalsContact CA-O 3.26Å; Q474-V478 WeakPolarHBondContact CA-O 3.35Å; Q474-I479 HydrophobicContact CB-CG1 4.32Å; Q474-I479 HydrophobicContact CG-CG1 3.98Å
475	I	46.5	Very low	50.1	Low	74 Å²	74	69.2 Å²	69.2	38%	0.379	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	106.1	173.4	-60	179.8	0	0	0	106.9	M473 N477 V478	M473-I475 HydrophobicContact CE-CD1 3.46Å; M473-I475 VanDerWaalsContact CE-CD1 3.46Å; M473-I475 HydrophobicContact CE-CG1 3.98Å; M473-I475 HydrophobicContact CG-CD1 4.47Å; M473-I475 HydrophobicContact CG-CG1 4.1Å; M473-I475 HydrophobicContact SD-CD1 3.78Å; M473-I475 HydrophobicContact SD-CG1 4.07Å; I475-N477 PolarHBondContact O-N 2.83Å; I475-N477 VanDerWaalsContact O-N 3.1Å; I475-V478 PolarHBondContact N-O 3.42Å; I475-V478 PolarHBondContact O-N 3.48Å
476	G	55.5	Low	50.7	Low	58 Å²	58	63.9 Å²	63.9	60%	0.598	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	-115.4	-173.3	0	0	0	0	0	112.1	Q474	Q474-G476 PolarHBondContact NE2-O 3.21Å; Q474-G476 VanDerWaalsContact NE2-O 3.16Å
477	N	49.4	Very low	50.7	Low	72 Å²	72	68.7 Å²	68.7	39%	0.385	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	0.1	-179.3	-75.5	-14.5	0	0	0	114.5	I475 N522 T525	I475-N477 PolarHBondContact O-N 2.83Å; I475-N477 VanDerWaalsContact O-N 3.1Å; N477-N522 HydrophobicContact CB-CB 3.87Å; N477-N522 PolarHBondContact O-N 3.22Å; N477-T525 PolarHBondContact ND2-OG1 3.37Å
478	V	46.4	Very low	50.4	Low	24 Å²	24	70.9 Å²	70.9	15%	0.145	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.5	-178.9	-168.5	0	0	0	0	109.5	Q474 I475 I519 V520 Y521 L535	Q474-V478 CarbonylContact C-O 3.58Å; Q474-V478 VanDerWaalsContact CA-O 3.26Å; Q474-V478 WeakPolarHBondContact CA-O 3.35Å; I475-V478 PolarHBondContact N-O 3.42Å; I475-V478 PolarHBondContact O-N 3.48Å; V478-I519 HydrophobicContact CG1-CG2 3.97Å; V478-V520 CarbonylContact C-O 3.43Å; V478-V520 WeakPolarHBondContact CA-O 3.25Å; V478-Y521 HydrophobicContact CB-CD1 4.3Å; V478-Y521 HydrophobicContact CB-CE1 4.27Å; V478-Y521 HydrophobicContact CG1-CD1 3.98Å; V478-Y521 HydrophobicContact CG1-CE1 3.68Å; V478-Y521 HydrophobicContact CG2-CD1 3.57Å; V478-Y521 HydrophobicContact CG2-CE1 3.57Å; V478-L535 HydrophobicContact CG1-CD2 3.95Å; V478-L535 HydrophobicContact CG2-CD2 4.28Å
479	I	55.8	Low	50	Low	27 Å²	27	68.2 Å²	68.2	14%	0.138	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.8	173.4	-60.3	165.5	0	0	0	108.1	L460 K471 M473 Q474 A481 V520	L460-I479 HydrophobicContact CD1-CG2 4.49Å; K471-I479 HydrophobicContact CG-CG2 3.95Å; M473-I479 WeakPolarHBondContact O-CA 3.48Å; Q474-I479 HydrophobicContact CB-CG1 4.32Å; Q474-I479 HydrophobicContact CG-CG1 3.98Å; I479-A481 HydrophobicContact CG2-CB 4.49Å; I479-V520 HydrophobicContact CB-CB 4.15Å; I479-V520 PolarHBondContact N-O 3.28Å; I479-V520 PolarHBondContact O-N 3.4Å
480	L	60.8	Low	49.2	Very low	9 Å²	9	72.2 Å²	72.2	5%	0.047	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124	166.9	-175.9	66.9	0	0	0	108.5	I472 M473 V517 I519 L539 F543	I472-L480 HydrophobicContact CB-CB 4.45Å; I472-L480 HydrophobicContact CB-CD2 4.01Å; I472-L480 HydrophobicContact CB-CG 4.12Å; I472-L480 HydrophobicContact CD1-CD2 4.16Å; I472-L480 HydrophobicContact CD1-CG 4.06Å; I472-L480 HydrophobicContact CG2-CD2 3.95Å; I472-L480 PolarHBondContact N-O 3.49Å; M473-L480 HydrophobicContact CB-CB 4.06Å; M473-L480 HydrophobicContact CB-CD2 4.38Å; M473-L480 PolarHBondContact N-O 3.36Å; M473-L480 PolarHBondContact O-N 2.88Å; L480-V517 HydrophobicContact CD1-CG1 3.83Å; L480-I519 HydrophobicContact CD1-CG1 4.07Å; L480-L539 HydrophobicContact CD1-CD1 4.45Å; L480-L539 HydrophobicContact CD1-CD2 4.04Å; L480-L539 HydrophobicContact CD2-CD2 3.76Å; L480-L539 HydrophobicContact CG-CD2 4.37Å; L480-F543 HydrophobicContact CD1-CE2 4.04Å; L480-F543 HydrophobicContact CD1-CZ 4.34Å; L480-F543 HydrophobicContact CD2-CE2 3.97Å; L480-F543 HydrophobicContact CD2-CZ 4.02Å; L480-F543 HydrophobicContact CG-CE2 4.44Å; L480-F543 HydrophobicContact CG-CZ 4.4Å
481	A	58.2	Low	48.5	Very low	5 Å²	5	73.2 Å²	73.2	4%	0.041	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.7	-180	0	0	0	0	0	111.6	F469 E470 I479 L518	F469-A481 HydrophobicContact CB-CB 3.76Å; F469-A481 HydrophobicContact CG-CB 4.42Å; E470-A481 CarbonylContact O-C 3.59Å; E470-A481 WeakPolarHBondContact O-CA 3.25Å; I479-A481 HydrophobicContact CG2-CB 4.49Å; A481-L518 PolarHBondContact N-O 2.67Å; A481-L518 CarbonylContact O-C 3.49Å; A481-L518 WeakPolarHBondContact O-CA 3.38Å; A481-L518 PolarHBondContact O-N 3.04Å
482	K	51.6	Low	47.6	Very low	105 Å²	105	74.9 Å²	74.9	46%	0.457	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.1	173.9	-170.7	176.5	-179.4	177.1	0	109.5	F469 E470 I472 L484	F469-K482 CarbonylContact C-O 3.44Å; F469-K482 WeakPolarHBondContact CA-O 3.13Å; E470-K482 HydrophobicContact CB-CB 4.31Å; E470-K482 PolarHBondContact N-O 3.22Å; E470-K482 PolarHBondContact O-N 3.46Å; I472-K482 HydrophobicContact CD1-CB 3.66Å; I472-K482 HydrophobicContact CG1-CB 4.04Å; K482-L484 PolarHBondContact O-N 3.46Å
483	T	55.4	Low	46.5	Very low	26 Å²	26	84.4 Å²	84.4	16%	0.16	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	124.8	174.8	73.2	0	0	0	0	109.8	F469 G516 L518	F469-T483 HydrophobicContact CD1-CG2 3.65Å; F469-T483 HydrophobicContact CE1-CG2 3.52Å; T483-G516 PolarHBondContact N-O 3.12Å; T483-G516 WeakPolarHBondContact OG1-CA 3.05Å; T483-G516 PolarHBondContact OG1-O 3.42Å; T483-G516 VanDerWaalsContact OG1-O 3.06Å; T483-L518 HydrophobicContact CG2-CB 4.25Å
484	L	51.3	Low	45.4	Very low	86 Å²	86	84.2 Å²	84.2	45%	0.45	44%	0.442	S	S	.	.			trans	-86.3	-2.3	179.1	-79.3	160.1	0	0	0	113.1	R468 E470 K482	R468-L484 HydrophobicContact CB-CB 3.71Å; R468-L484 HydrophobicContact CB-CD1 4.04Å; R468-L484 PolarHBondContact O-N 3.45Å; E470-L484 HydrophobicContact CB-CD1 4Å; E470-L484 HydrophobicContact CB-CD2 4.38Å; E470-L484 HydrophobicContact CB-CG 4.05Å; K482-L484 PolarHBondContact O-N 3.46Å
485	R	45.1	Very low	44.2	Very low	142 Å²	142	83 Å²	83	54%	0.536	46%	0.457	S	S	.	.			trans	-116.8	121.4	-178.4	-115	-170.8	-170.8	-168.4	2.9	113.3
486	S	40.5	Very low	43.3	Very low	103 Å²	103	81.8 Å²	81.8	72%	0.72	46%	0.462	S	S	*	.			trans	-63.7	125.4	163.1	133.2	0	0	0	0	110.3
487	K	35.7	Very low	42.1	Very low	191 Å²	191	87.6 Å²	87.6	83%	0.83	47%	0.468	S	S	*	.			trans	51.8	81.5	153.4	-62.6	179.9	177.7	178.4	0	115.9
488	D	35	Very low	41.5	Very low	84 Å²	84	87 Å²	87	45%	0.449	47%	0.468	S	S	.	.			trans	-113.4	94.1	139.6	-151.1	-25.6	0	0	0	108	T490	D488-T490 PolarHBondContact O-N 3.13Å; D488-T490 VanDerWaalsContact O-N 3.09Å; D488-T490 PolarHBondContact OD1-OG1 2.72Å
489	P	36.3	Very low	41	Very low	101 Å²	101	90 Å²	90	66%	0.656	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-66.6	-5.8	-177.1	25.5	-31.1	0	0	0	113.1
490	T	36.9	Very low	40	Very low	115 Å²	115	93.7 Å²	93.7	71%	0.706	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-77.7	-20.9	-177.8	59.4	0	0	0	0	114.1	D488 F492	D488-T490 PolarHBondContact O-N 3.13Å; D488-T490 VanDerWaalsContact O-N 3.09Å; D488-T490 PolarHBondContact OD1-OG1 2.72Å; T490-F492 VanDerWaalsContact C-N 3.34Å
491	L	36.2	Very low	38.7	Very low	89 Å²	89	96.3 Å²	96.3	47%	0.466	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-81.6	-13.5	175.4	-76.1	170.1	0	0	0	113.4	V467	V467-L491 HydrophobicContact CG2-CD1 3.89Å
492	F	39.7	Very low	37.6	Very low	72 Å²	72	101.9 Å²	101.9	32%	0.316	53%	0.534	S	S	.	.			trans	-128.4	85.7	-169.1	-56.6	-76.3	0	0	0	110.4	T490 G494 H512	T490-F492 VanDerWaalsContact C-N 3.34Å; F492-G494 PolarHBondContact O-N 2.96Å; F492-G494 VanDerWaalsContact O-N 3.15Å; F492-H512 HydrophobicContact CE1-CB 4.26Å
493	R	33.3	Very low	36.9	Very low	244 Å²	244	99.1 Å²	99.1	92%	0.921	52%	0.524	S	S	*	.			trans	-86.7	77.9	178.7	-136.1	-175.5	-160.7	-144.6	5.6	110.8	W499	R493-W499 WeakPolarHBondContact O-CH2 3.2Å; R493-W499 VanDerWaalsContact O-CZ3 3.24Å; R493-W499 WeakPolarHBondContact O-CZ3 3.31Å
494	G	30.9	Very low	35.9	Very low	40 Å²	40	102.7 Å²	102.7	41%	0.412	56%	0.556	S	S	.	*	S	Bend	trans	156.1	148.3	158.4	0	0	0	0	0	113.7	F492 W499	F492-G494 PolarHBondContact O-N 2.96Å; F492-G494 VanDerWaalsContact O-N 3.15Å; G494-W499 VanDerWaalsContact O-CE2 3.28Å; G494-W499 WeakPolarHBondContact O-CZ2 3.37Å; G494-W499 PolarHBondContact O-NE1 3.47Å
495	G	27.6	Very low	35.5	Very low	76 Å²	76	105.8 Å²	105.8	78%	0.784	57%	0.573	S	S	*	*			trans	-70.9	143.2	-177.8	0	0	0	0	0	112.5
496	G	26.7	Very low	35.6	Very low	48 Å²	48	99.9 Å²	99.9	50%	0.495	55%	0.553	S	S	.	*	S	Bend	trans	60.7	122.6	152.6	0	0	0	0	0	118.3
497	Y	30.2	Very low	36	Very low	180 Å²	180	100 Å²	100	71%	0.706	54%	0.541	S	S	*	.	S	Bend	trans	77.5	84.8	157.7	-39.4	-81	0	0	0	116
498	C	37	Very low	36.6	Very low	59 Å²	59	94.6 Å²	94.6	40%	0.399	52%	0.516	S	S	.	.			trans	72.1	105.3	162.9	-149.1	0	0	0	0	116.1	F511 H512	C498-F511 WeakPolarHBondContact SG-CD1 3.3Å; C498-H512 WeakPolarHBondContact CA-O 3.29Å
499	W	35.9	Very low	37.2	Very low	88 Å²	88	93.2 Å²	93.2	33%	0.333	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.4	174.2	-66.2	79.8	0	0	0	110.3	R493 G494 V501 F511 H512	R493-W499 WeakPolarHBondContact O-CH2 3.2Å; R493-W499 VanDerWaalsContact O-CZ3 3.24Å; R493-W499 WeakPolarHBondContact O-CZ3 3.31Å; G494-W499 VanDerWaalsContact O-CE2 3.28Å; G494-W499 WeakPolarHBondContact O-CZ2 3.37Å; G494-W499 PolarHBondContact O-NE1 3.47Å; W499-V501 PolarHBondContact O-N 3.36Å; W499-F511 VanDerWaalsContact O-CA 3.3Å; W499-F511 WeakPolarHBondContact O-CA 3.37Å; W499-H512 HydrophobicContact CB-CB 4.43Å; W499-H512 PolarHBondContact N-O 3.25Å; W499-H512 PolarHBondContact O-N 3.24Å
500	K	36.1	Very low	38.1	Very low	104 Å²	104	90.4 Å²	90.4	45%	0.452	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	108.3	169.6	-168.6	175.3	-169.2	177.3	0	108.8	H502 W510 F511	K500-H502 WeakPolarHBondContact CD-NE2 3.4Å; K500-H502 WeakPolarHBondContact CE-CE1 3.32Å; K500-H502 WeakPolarHBondContact CE-NE2 3.33Å; K500-W510 CarbonylContact C-O 3.57Å; K500-W510 VanDerWaalsContact CA-O 3.29Å; K500-W510 WeakPolarHBondContact CA-O 3.38Å; K500-F511 HydrophobicContact CB-CD1 4.45Å; K500-F511 HydrophobicContact CB-CE1 4.02Å; K500-F511 HydrophobicContact CD-CE1 4.38Å; K500-F511 HydrophobicContact CD-CZ 4.36Å; K500-F511 HydrophobicContact CG-CE1 4.04Å; K500-F511 HydrophobicContact CG-CZ 4.19Å
501	V	33	Very low	38.6	Very low	65 Å²	65	86.1 Å²	86.1	39%	0.394	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.9	165.8	-169	0	0	0	0	106.9	W499 W510	W499-V501 PolarHBondContact O-N 3.36Å; V501-W510 HydrophobicContact CB-CB 3.91Å; V501-W510 HydrophobicContact CB-CG 4.18Å; V501-W510 HydrophobicContact CG2-CB 4.31Å; V501-W510 PolarHBondContact N-O 3.42Å; V501-W510 VanDerWaalsContact O-CD1 3.3Å; V501-W510 PolarHBondContact O-N 3.47Å
502	H	35.2	Very low	39	Very low	122 Å²	122	83.6 Å²	83.6	57%	0.565	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.8	160.8	-71.7	-85.5	0	0	0	105.9	K500	K500-H502 WeakPolarHBondContact CD-NE2 3.4Å; K500-H502 WeakPolarHBondContact CE-CE1 3.32Å; K500-H502 WeakPolarHBondContact CE-NE2 3.33Å
503	D	36.1	Very low	39.5	Very low	47 Å²	47	84.1 Å²	84.1	25%	0.251	44%	0.441	S	S	.	.			trans	-83.9	118.8	161.1	163.4	18	0	0	0	106.7	N505 S506	D503-N505 PolarHBondContact O-N 3.45Å; D503-N505 PolarHBondContact OD1-N 3.36Å; D503-S506 VanDerWaalsContact CB-OG 3.24Å; D503-S506 WeakPolarHBondContact CB-OG 3.37Å; D503-S506 PolarHBondContact O-N 2.91Å; D503-S506 PolarHBondContact O-OG 3.21Å; D503-S506 WeakPolarHBondContact OD2-CB 3.49Å
504	A	35.6	Very low	40.2	Very low	100 Å²	100	79.1 Å²	79.1	83%	0.826	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-14.6	-175.7	0	0	0	0	0	113.7
505	N	42.6	Very low	41.2	Very low	152 Å²	152	81.9 Å²	81.9	81%	0.813	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	2.2	176.9	-71.1	-26.6	0	0	0	114	D503	D503-N505 PolarHBondContact O-N 3.45Å; D503-N505 PolarHBondContact OD1-N 3.36Å
506	S	47.3	Very low	42.2	Very low	18 Å²	18	79.1 Å²	79.1	13%	0.126	42%	0.416	C	S	.	.			trans	-111.2	137.2	-174.1	78.8	0	0	0	0	112.4	D503 Y508	D503-S506 VanDerWaalsContact CB-OG 3.24Å; D503-S506 WeakPolarHBondContact CB-OG 3.37Å; D503-S506 PolarHBondContact O-N 2.91Å; D503-S506 PolarHBondContact O-OG 3.21Å; D503-S506 WeakPolarHBondContact OD2-CB 3.49Å; S506-Y508 PolarHBondContact O-N 2.89Å; S506-Y508 PolarHBondContact OG-O 2.97Å
507	K	48.5	Very low	43.3	Very low	106 Å²	106	77.3 Å²	77.3	46%	0.461	40%	0.396	S	S	.	.	S	Bend	trans	-70.1	27.6	168	-63.3	177.9	-177.4	169.9	0	111.8	N522 S523	K507-N522 CarbonylContact O-C 3.44Å; K507-N522 VanDerWaalsContact O-CA 3.28Å; K507-N522 WeakPolarHBondContact O-CA 3.37Å; K507-N522 PolarHBondContact O-OD1 3.33Å; K507-N522 VanDerWaalsContact O-OD1 3.06Å; K507-S523 VanDerWaalsContact CA-OG 3.3Å; K507-S523 WeakPolarHBondContact CA-OG 3.4Å; K507-S523 PolarHBondContact O-N 3.07Å; K507-S523 PolarHBondContact O-OG 3.49Å; K507-S523 VanDerWaalsContact O-OG 3.09Å
508	Y	48.3	Very low	44.5	Very low	77 Å²	77	69.1 Å²	69.1	30%	0.302	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.1	-170.7	-59.9	-79	0	0	0	112	S506 W510 V520 Y521 N522	S506-Y508 PolarHBondContact O-N 2.89Å; S506-Y508 PolarHBondContact OG-O 2.97Å; Y508-W510 HydrophobicContact CG-CZ2 4.36Å; Y508-W510 PolarHBondContact O-NE1 3.05Å; Y508-V520 HydrophobicContact CD1-CG1 3.99Å; Y508-V520 HydrophobicContact CG-CG1 4.3Å; Y508-Y521 CarbonylContact C-O 3.47Å; Y508-Y521 WeakPolarHBondContact CA-O 3.49Å; Y508-N522 HydrophobicContact CD1-CB 4.15Å; Y508-N522 HydrophobicContact CE1-CB 3.96Å
509	Q	48.6	Very low	45.4	Very low	55 Å²	55	66.5 Å²	66.5	26%	0.257	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.6	165.6	-71.5	-177.1	9.5	0	0	108.2	F511 Y521	Q509-F511 HydrophobicContact CB-CE2 4.08Å; Q509-Y521 PolarHBondContact N-O 2.81Å; Q509-Y521 PolarHBondContact O-N 3.11Å
510	W	54.9	Low	46.2	Very low	41 Å²	41	62.7 Å²	62.7	16%	0.155	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.1	-176.6	-44.5	77	0	0	0	109.2	K500 V501 Y508 L518 V520	K500-W510 CarbonylContact C-O 3.57Å; K500-W510 VanDerWaalsContact CA-O 3.29Å; K500-W510 WeakPolarHBondContact CA-O 3.38Å; V501-W510 HydrophobicContact CB-CB 3.91Å; V501-W510 HydrophobicContact CB-CG 4.18Å; V501-W510 HydrophobicContact CG2-CB 4.31Å; V501-W510 PolarHBondContact N-O 3.42Å; V501-W510 VanDerWaalsContact O-CD1 3.3Å; V501-W510 PolarHBondContact O-N 3.47Å; Y508-W510 HydrophobicContact CG-CZ2 4.36Å; Y508-W510 PolarHBondContact O-NE1 3.05Å; W510-L518 HydrophobicContact CE3-CD2 3.48Å; W510-L518 VanDerWaalsContact CE3-CD2 3.48Å; W510-L518 HydrophobicContact CE3-CG 4.45Å; W510-L518 HydrophobicContact CZ3-CD2 3.9Å; W510-V520 HydrophobicContact CD2-CG1 4.02Å; W510-V520 HydrophobicContact CD2-CG2 4.48Å; W510-V520 HydrophobicContact CE3-CB 4.05Å; W510-V520 HydrophobicContact CE3-CG1 3.58Å; W510-V520 HydrophobicContact CE3-CG2 3.41Å; W510-V520 VanDerWaalsContact CE3-CG2 3.41Å; W510-V520 HydrophobicContact CH2-CG1 3.91Å; W510-V520 HydrophobicContact CZ2-CG1 4.31Å; W510-V520 HydrophobicContact CZ3-CB 4.14Å; W510-V520 HydrophobicContact CZ3-CG1 3.54Å; W510-V520 HydrophobicContact CZ3-CG2 3.45Å; W510-V520 VanDerWaalsContact CZ3-CG2 3.45Å
511	F	47.4	Very low	47.1	Very low	25 Å²	25	58.3 Å²	58.3	11%	0.11	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.8	174	-64.3	-85.3	0	0	0	109.7	C498 W499 K500 Q509 L518 I519 Y521 F532	C498-F511 WeakPolarHBondContact SG-CD1 3.3Å; W499-F511 VanDerWaalsContact O-CA 3.3Å; W499-F511 WeakPolarHBondContact O-CA 3.37Å; K500-F511 HydrophobicContact CB-CD1 4.45Å; K500-F511 HydrophobicContact CB-CE1 4.02Å; K500-F511 HydrophobicContact CD-CE1 4.38Å; K500-F511 HydrophobicContact CD-CZ 4.36Å; K500-F511 HydrophobicContact CG-CE1 4.04Å; K500-F511 HydrophobicContact CG-CZ 4.19Å; Q509-F511 HydrophobicContact CB-CE2 4.08Å; F511-L518 WeakPolarHBondContact O-CA 3.5Å; F511-I519 HydrophobicContact CB-CB 4.43Å; F511-I519 PolarHBondContact N-O 2.97Å; F511-I519 PolarHBondContact O-N 3.37Å; F511-Y521 AromaticContact CD2-CD2 3.57Å; F511-Y521 HydrophobicContact CD2-CD2 3.57Å; F511-Y521 AromaticContact CD2-CE2 3.61Å; F511-Y521 HydrophobicContact CD2-CE2 3.61Å; F511-Y521 AromaticContact CE2-CD2 3.73Å; F511-Y521 HydrophobicContact CE2-CD2 3.73Å; F511-Y521 AromaticContact CE2-CE2 3.97Å; F511-Y521 HydrophobicContact CE2-CE2 3.97Å; F511-F532 AromaticContact CD1-CZ 3.93Å; F511-F532 HydrophobicContact CD1-CZ 3.93Å; F511-F532 AromaticContact CD2-CE2 3.95Å; F511-F532 HydrophobicContact CD2-CE2 3.95Å; F511-F532 AromaticContact CD2-CZ 3.86Å; F511-F532 HydrophobicContact CD2-CZ 3.86Å; F511-F532 HydrophobicContact CE1-CE1 4.48Å; F511-F532 HydrophobicContact CE1-CE2 4.46Å; F511-F532 AromaticContact CE1-CZ 3.71Å; F511-F532 HydrophobicContact CE1-CZ 3.71Å; F511-F532 AromaticContact CE2-CE2 3.6Å; F511-F532 HydrophobicContact CE2-CE2 3.6Å; F511-F532 AromaticContact CE2-CZ 3.66Å; F511-F532 HydrophobicContact CE2-CZ 3.66Å; F511-F532 AromaticContact CG-CZ 3.97Å; F511-F532 HydrophobicContact CG-CZ 3.97Å; F511-F532 AromaticContact CZ-CE2 3.87Å; F511-F532 HydrophobicContact CZ-CE2 3.87Å; F511-F532 AromaticContact CZ-CZ 3.56Å; F511-F532 HydrophobicContact CZ-CZ 3.56Å
512	H	45	Very low	47.8	Very low	37 Å²	37	56.6 Å²	56.6	17%	0.171	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.5	173.7	-171.4	-85.2	0	0	0	110.3	F492 C498 W499 L518	F492-H512 HydrophobicContact CE1-CB 4.26Å; C498-H512 WeakPolarHBondContact CA-O 3.29Å; W499-H512 HydrophobicContact CB-CB 4.43Å; W499-H512 PolarHBondContact N-O 3.25Å; W499-H512 PolarHBondContact O-N 3.24Å; H512-L518 HydrophobicContact CB-CD1 3.99Å
513	Y	49.9	Very low	48.2	Very low	82 Å²	82	53.6 Å²	53.6	32%	0.322	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	160.5	174.4	-168	-105.4	0	0	0	111.6	V517 M540	Y513-V517 PolarHBondContact N-O 3.36Å; Y513-M540 HydrophobicContact CD1-CE 3.63Å; Y513-M540 HydrophobicContact CD1-SD 3.56Å; Y513-M540 VanDerWaalsContact CD1-SD 3.56Å; Y513-M540 HydrophobicContact CD2-CE 3.28Å; Y513-M540 HydrophobicContact CD2-SD 3.98Å; Y513-M540 HydrophobicContact CE1-CE 3.76Å; Y513-M540 HydrophobicContact CE1-SD 3.12Å; Y513-M540 WeakPolarHBondContact CE1-SD 3.44Å; Y513-M540 HydrophobicContact CE2-CE 3.43Å; Y513-M540 VanDerWaalsContact CE2-CE 3.43Å; Y513-M540 HydrophobicContact CE2-SD 3.58Å; Y513-M540 VanDerWaalsContact CE2-SD 3.58Å; Y513-M540 HydrophobicContact CG-CE 3.38Å; Y513-M540 HydrophobicContact CG-SD 3.96Å; Y513-M540 PolarHBondContact OH-SD 2.96Å
514	K	48.1	Very low	48.2	Very low	140 Å²	140	60.4 Å²	60.4	61%	0.609	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	144.9	178.6	-162.3	176.3	179.5	-176.7	0	109.5
515	A	51.2	Low	48.4	Very low	98 Å²	98	58.9 Å²	58.9	81%	0.81	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	31.1	178.3	0	0	0	0	0	117.6
516	G	48.3	Very low	47.9	Very low	18 Å²	18	61.3 Å²	61.3	19%	0.186	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	29	166.6	0	0	0	0	0	114.1	T483	T483-G516 PolarHBondContact N-O 3.12Å; T483-G516 WeakPolarHBondContact OG1-CA 3.05Å; T483-G516 PolarHBondContact OG1-O 3.42Å; T483-G516 VanDerWaalsContact OG1-O 3.06Å
517	V	50.2	Low	47.2	Very low	10 Å²	10	63.1 Å²	63.1	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.1	172.9	179.7	0	0	0	0	108.9	L480 Y513 F543	L480-V517 HydrophobicContact CD1-CG1 3.83Å; Y513-V517 PolarHBondContact N-O 3.36Å; V517-F543 HydrophobicContact CB-CE2 4.39Å; V517-F543 HydrophobicContact CB-CZ 4.3Å; V517-F543 HydrophobicContact CG1-CD2 4.24Å; V517-F543 HydrophobicContact CG1-CE1 4.43Å; V517-F543 HydrophobicContact CG1-CE2 3.55Å; V517-F543 HydrophobicContact CG1-CZ 3.63Å; V517-F543 HydrophobicContact CG2-CD1 3.83Å; V517-F543 HydrophobicContact CG2-CD2 4.19Å; V517-F543 HydrophobicContact CG2-CE1 3.56Å; V517-F543 HydrophobicContact CG2-CE2 3.98Å; V517-F543 HydrophobicContact CG2-CG 4.12Å; V517-F543 HydrophobicContact CG2-CZ 3.62Å
518	L	54.6	Low	46.5	Very low	7 Å²	7	61.1 Å²	61.1	4%	0.037	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127	177.9	-164.4	87.1	0	0	0	109.5	F469 A481 T483 W510 F511 H512 V520	F469-L518 HydrophobicContact CD1-CB 4.14Å; F469-L518 HydrophobicContact CD1-CD2 3.78Å; F469-L518 HydrophobicContact CE1-CB 4.02Å; F469-L518 HydrophobicContact CE1-CD1 4.21Å; F469-L518 HydrophobicContact CE1-CD2 3.3Å; F469-L518 HydrophobicContact CE1-CG 4.06Å; F469-L518 HydrophobicContact CE2-CD2 4.11Å; F469-L518 HydrophobicContact CG-CD2 4.36Å; F469-L518 HydrophobicContact CZ-CD2 3.46Å; F469-L518 VanDerWaalsContact CZ-CD2 3.46Å; A481-L518 PolarHBondContact N-O 2.67Å; A481-L518 CarbonylContact O-C 3.49Å; A481-L518 WeakPolarHBondContact O-CA 3.38Å; A481-L518 PolarHBondContact O-N 3.04Å; T483-L518 HydrophobicContact CG2-CB 4.25Å; W510-L518 HydrophobicContact CE3-CD2 3.48Å; W510-L518 VanDerWaalsContact CE3-CD2 3.48Å; W510-L518 HydrophobicContact CE3-CG 4.45Å; W510-L518 HydrophobicContact CZ3-CD2 3.9Å; F511-L518 WeakPolarHBondContact O-CA 3.5Å; H512-L518 HydrophobicContact CB-CD1 3.99Å; L518-V520 HydrophobicContact CD2-CG2 3.71Å; L518-V520 HydrophobicContact CG-CG2 4.27Å
519	I	55.9	Low	45.6	Very low	5 Å²	5	64.4 Å²	64.4	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.2	171.5	-48.1	171.5	0	0	0	107.7	V478 L480 F511 Y521 I536 L539	V478-I519 HydrophobicContact CG1-CG2 3.97Å; L480-I519 HydrophobicContact CD1-CG1 4.07Å; F511-I519 HydrophobicContact CB-CB 4.43Å; F511-I519 PolarHBondContact N-O 2.97Å; F511-I519 PolarHBondContact O-N 3.37Å; I519-Y521 HydrophobicContact CB-CE2 4.06Å; I519-Y521 HydrophobicContact CG2-CD2 4.06Å; I519-Y521 HydrophobicContact CG2-CE2 3.27Å; I519-I536 HydrophobicContact CD1-CG1 4.34Å; I519-L539 HydrophobicContact CD1-CD1 3.74Å; I519-L539 HydrophobicContact CG1-CD1 4.21Å; I519-L539 HydrophobicContact CG2-CD1 4.22Å
520	V	53.9	Low	44.8	Very low	7 Å²	7	69.4 Å²	69.4	4%	0.042	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.4	-177.5	-168.8	0	0	0	0	109.1	V478 I479 Y508 W510 L518	V478-V520 CarbonylContact C-O 3.43Å; V478-V520 WeakPolarHBondContact CA-O 3.25Å; I479-V520 HydrophobicContact CB-CB 4.15Å; I479-V520 PolarHBondContact N-O 3.28Å; I479-V520 PolarHBondContact O-N 3.4Å; Y508-V520 HydrophobicContact CD1-CG1 3.99Å; Y508-V520 HydrophobicContact CG-CG1 4.3Å; W510-V520 HydrophobicContact CD2-CG1 4.02Å; W510-V520 HydrophobicContact CD2-CG2 4.48Å; W510-V520 HydrophobicContact CE3-CB 4.05Å; W510-V520 HydrophobicContact CE3-CG1 3.58Å; W510-V520 HydrophobicContact CE3-CG2 3.41Å; W510-V520 VanDerWaalsContact CE3-CG2 3.41Å; W510-V520 HydrophobicContact CH2-CG1 3.91Å; W510-V520 HydrophobicContact CZ2-CG1 4.31Å; W510-V520 HydrophobicContact CZ3-CB 4.14Å; W510-V520 HydrophobicContact CZ3-CG1 3.54Å; W510-V520 HydrophobicContact CZ3-CG2 3.45Å; W510-V520 VanDerWaalsContact CZ3-CG2 3.45Å; L518-V520 HydrophobicContact CD2-CG2 3.71Å; L518-V520 HydrophobicContact CG-CG2 4.27Å
521	Y	54	Low	44.1	Very low	13 Å²	13	73 Å²	73	5%	0.051	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138	176.3	-65.2	-95.2	0	0	0	110	V478 Y508 Q509 F511 I519 S523 V527 F532 L535	V478-Y521 HydrophobicContact CB-CD1 4.3Å; V478-Y521 HydrophobicContact CB-CE1 4.27Å; V478-Y521 HydrophobicContact CG1-CD1 3.98Å; V478-Y521 HydrophobicContact CG1-CE1 3.68Å; V478-Y521 HydrophobicContact CG2-CD1 3.57Å; V478-Y521 HydrophobicContact CG2-CE1 3.57Å; Y508-Y521 CarbonylContact C-O 3.47Å; Y508-Y521 WeakPolarHBondContact CA-O 3.49Å; Q509-Y521 PolarHBondContact N-O 2.81Å; Q509-Y521 PolarHBondContact O-N 3.11Å; F511-Y521 AromaticContact CD2-CD2 3.57Å; F511-Y521 HydrophobicContact CD2-CD2 3.57Å; F511-Y521 AromaticContact CD2-CE2 3.61Å; F511-Y521 HydrophobicContact CD2-CE2 3.61Å; F511-Y521 AromaticContact CE2-CD2 3.73Å; F511-Y521 HydrophobicContact CE2-CD2 3.73Å; F511-Y521 AromaticContact CE2-CE2 3.97Å; F511-Y521 HydrophobicContact CE2-CE2 3.97Å; I519-Y521 HydrophobicContact CB-CE2 4.06Å; I519-Y521 HydrophobicContact CG2-CD2 4.06Å; I519-Y521 HydrophobicContact CG2-CE2 3.27Å; Y521-S523 PolarHBondContact O-N 2.91Å; Y521-V527 HydrophobicContact CD1-CG2 4.42Å; Y521-F532 HydrophobicContact CD2-CE2 4.24Å; Y521-F532 HydrophobicContact CE1-CD2 4.28Å; Y521-F532 HydrophobicContact CE1-CE2 4.35Å; Y521-F532 HydrophobicContact CE2-CD2 4.2Å; Y521-F532 AromaticContact CE2-CE2 3.48Å; Y521-F532 HydrophobicContact CE2-CE2 3.48Å; Y521-F532 VanDerWaalsContact CE2-CE2 3.48Å; Y521-F532 HydrophobicContact CE2-CZ 4.38Å; Y521-F532 AromaticContact CZ-CD2 3.8Å; Y521-F532 AromaticContact CZ-CE2 3.55Å; Y521-L535 HydrophobicContact CE1-CD2 3.95Å; Y521-L535 WeakPolarHBondContact OH-CD2 3.28Å
522	N	48.9	Very low	43.7	Very low	29 Å²	29	73.4 Å²	73.4	16%	0.155	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.4	164.3	-165.6	-28.8	0	0	0	109.8	N477 K507 Y508 R524 T525	N477-N522 HydrophobicContact CB-CB 3.87Å; N477-N522 PolarHBondContact O-N 3.22Å; K507-N522 CarbonylContact O-C 3.44Å; K507-N522 VanDerWaalsContact O-CA 3.28Å; K507-N522 WeakPolarHBondContact O-CA 3.37Å; K507-N522 PolarHBondContact O-OD1 3.33Å; K507-N522 VanDerWaalsContact O-OD1 3.06Å; Y508-N522 HydrophobicContact CD1-CB 4.15Å; Y508-N522 HydrophobicContact CE1-CB 3.96Å; N522-R524 PolarHBondContact O-N 3.18Å; N522-R524 PolarHBondContact OD1-N 2.7Å; N522-T525 PolarHBondContact O-N 2.84Å; N522-T525 PolarHBondContact O-OG1 3.28Å
523	S	42.5	Very low	43.6	Very low	58 Å²	58	80.4 Å²	80.4	41%	0.406	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	3	-173.3	66.7	0	0	0	0	114.7	K507 Y521	K507-S523 VanDerWaalsContact CA-OG 3.3Å; K507-S523 WeakPolarHBondContact CA-OG 3.4Å; K507-S523 PolarHBondContact O-N 3.07Å; K507-S523 PolarHBondContact O-OG 3.49Å; K507-S523 VanDerWaalsContact O-OG 3.09Å; Y521-S523 PolarHBondContact O-N 2.91Å
524	R	36.9	Very low	43.5	Very low	190 Å²	190	78.2 Å²	78.2	72%	0.717	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.8	174.6	-78.3	-171.3	171.4	-171.2	-5.5	114.8	N522	N522-R524 PolarHBondContact O-N 3.18Å; N522-R524 PolarHBondContact OD1-N 2.7Å
525	T	39	Very low	43.7	Very low	69 Å²	69	74.1 Å²	74.1	42%	0.423	38%	0.379	S	S	.	.	S	Bend	trans	-111.1	114	178.1	28.4	0	0	0	0	110.3	N477 N522 V527	N477-T525 PolarHBondContact ND2-OG1 3.37Å; N522-T525 PolarHBondContact O-N 2.84Å; N522-T525 PolarHBondContact O-OG1 3.28Å; T525-V527 VanDerWaalsContact C-N 3.3Å; T525-V527 PolarHBondContact O-N 2.89Å
526	Q	31.6	Very low	43.6	Very low	203 Å²	203	71.1 Å²	71.1	95%	0.949	35%	0.349	S	S	*	.			trans	-64.3	92.7	165	-84.9	-164.6	3.5	0	0	108.2	S528	Q526-S528 PolarHBondContact O-N 3.24Å
527	V	34.2	Very low	43.7	Very low	55 Å²	55	74.3 Å²	74.3	33%	0.333	36%	0.362	S	S	.	.			trans	-73.6	119.1	167	-177.1	0	0	0	0	106.6	Y521 T525 L529 Q531 F532	Y521-V527 HydrophobicContact CD1-CG2 4.42Å; T525-V527 VanDerWaalsContact C-N 3.3Å; T525-V527 PolarHBondContact O-N 2.89Å; V527-L529 PolarHBondContact O-N 3.27Å; V527-Q531 HydrophobicContact CG1-CB 3.86Å; V527-F532 HydrophobicContact CG1-CB 4.23Å
528	S	33	Very low	43.7	Very low	64 Å²	64	75.7 Å²	75.7	45%	0.448	37%	0.368	S	S	.	.			trans	-56.9	140	175.3	73.7	0	0	0	0	109.3	Q526 F530 Q531 F532	Q526-S528 PolarHBondContact O-N 3.24Å; S528-F530 PolarHBondContact O-N 3.08Å; S528-Q531 PolarHBondContact O-N 2.85Å; S528-Q531 PolarHBondContact OG-N 3.12Å; S528-F532 PolarHBondContact O-N 3.04Å
529	L	30.2	Very low	43.5	Very low	146 Å²	146	75.8 Å²	75.8	76%	0.764	37%	0.369	S	S	*	.	H	α-helix	trans	-50.3	-24.9	178.7	-93	148.4	0	0	0	113.1	V527 R533	V527-L529 PolarHBondContact O-N 3.27Å; L529-R533 PolarHBondContact O-N 2.94Å; L529-R533 VanDerWaalsContact O-N 3.16Å
530	F	31.1	Very low	42.9	Very low	160 Å²	160	77.5 Å²	77.5	70%	0.702	38%	0.377	S	S	*	.	H	α-helix	trans	-73.9	-47.9	176.6	-155.7	-92.4	0	0	0	112.8	S528 F532 R533 L534	S528-F530 PolarHBondContact O-N 3.08Å; F530-F532 PolarHBondContact O-N 2.9Å; F530-R533 PolarHBondContact O-N 3.35Å; F530-L534 PolarHBondContact O-N 2.79Å; F530-L534 VanDerWaalsContact O-N 3.16Å
531	Q	40.2	Very low	42.3	Very low	116 Å²	116	79.1 Å²	79.1	54%	0.542	39%	0.389	S	S	.	.	H	α-helix	trans	-65.7	-32.4	174.5	-71.7	-153.9	-23.1	0	0	111.7	V527 S528 L534 L535	V527-Q531 HydrophobicContact CG1-CB 3.86Å; S528-Q531 PolarHBondContact O-N 2.85Å; S528-Q531 PolarHBondContact OG-N 3.12Å; Q531-L534 PolarHBondContact O-N 3.15Å; Q531-L535 WeakPolarHBondContact O-CB 3.47Å; Q531-L535 PolarHBondContact O-N 3.45Å
532	F	39.2	Very low	42	Very low	35 Å²	35	80.1 Å²	80.1	15%	0.154	40%	0.4	C	S	.	.	H	α-helix	trans	-63.4	-41.9	173.7	-169.7	-100.7	0	0	0	112.6	F511 Y521 V527 S528 F530 I536	F511-F532 AromaticContact CD1-CZ 3.93Å; F511-F532 HydrophobicContact CD1-CZ 3.93Å; F511-F532 AromaticContact CD2-CE2 3.95Å; F511-F532 HydrophobicContact CD2-CE2 3.95Å; F511-F532 AromaticContact CD2-CZ 3.86Å; F511-F532 HydrophobicContact CD2-CZ 3.86Å; F511-F532 HydrophobicContact CE1-CE1 4.48Å; F511-F532 HydrophobicContact CE1-CE2 4.46Å; F511-F532 AromaticContact CE1-CZ 3.71Å; F511-F532 HydrophobicContact CE1-CZ 3.71Å; F511-F532 AromaticContact CE2-CE2 3.6Å; F511-F532 HydrophobicContact CE2-CE2 3.6Å; F511-F532 AromaticContact CE2-CZ 3.66Å; F511-F532 HydrophobicContact CE2-CZ 3.66Å; F511-F532 AromaticContact CG-CZ 3.97Å; F511-F532 HydrophobicContact CG-CZ 3.97Å; F511-F532 AromaticContact CZ-CE2 3.87Å; F511-F532 HydrophobicContact CZ-CE2 3.87Å; F511-F532 AromaticContact CZ-CZ 3.56Å; F511-F532 HydrophobicContact CZ-CZ 3.56Å; Y521-F532 HydrophobicContact CD2-CE2 4.24Å; Y521-F532 HydrophobicContact CE1-CD2 4.28Å; Y521-F532 HydrophobicContact CE1-CE2 4.35Å; Y521-F532 HydrophobicContact CE2-CD2 4.2Å; Y521-F532 AromaticContact CE2-CE2 3.48Å; Y521-F532 HydrophobicContact CE2-CE2 3.48Å; Y521-F532 VanDerWaalsContact CE2-CE2 3.48Å; Y521-F532 HydrophobicContact CE2-CZ 4.38Å; Y521-F532 AromaticContact CZ-CD2 3.8Å; Y521-F532 AromaticContact CZ-CE2 3.55Å; V527-F532 HydrophobicContact CG1-CB 4.23Å; S528-F532 PolarHBondContact O-N 3.04Å; F530-F532 PolarHBondContact O-N 2.9Å; F532-I536 HydrophobicContact CD1-CD1 3.54Å; F532-I536 HydrophobicContact CD1-CG1 4.4Å; F532-I536 HydrophobicContact CE1-CD1 3.13Å; F532-I536 HydrophobicContact CE1-CG1 4.26Å; F532-I536 HydrophobicContact CE2-CD1 4.36Å; F532-I536 HydrophobicContact CG-CD1 4.32Å; F532-I536 HydrophobicContact CZ-CD1 3.6Å; F532-I536 HydrophobicContact CZ-CG1 4.49Å; F532-I536 VanDerWaalsContact O-CB 3.29Å; F532-I536 WeakPolarHBondContact O-CB 3.37Å; F532-I536 VanDerWaalsContact O-CG1 3.26Å; F532-I536 WeakPolarHBondContact O-CG1 3.43Å; F532-I536 PolarHBondContact O-N 2.71Å
533	R	42.1	Very low	41.5	Very low	183 Å²	183	85.3 Å²	85.3	69%	0.691	42%	0.421	S	S	*	.	H	α-helix	trans	-63.9	-43.1	174.9	-82.1	-176.5	173.9	-175.9	-1.1	111.9	L529 F530 I536 L537	L529-R533 PolarHBondContact O-N 2.94Å; L529-R533 VanDerWaalsContact O-N 3.16Å; F530-R533 PolarHBondContact O-N 3.35Å; R533-I536 PolarHBondContact O-N 3.21Å; R533-L537 WeakPolarHBondContact O-CB 3.48Å; R533-L537 WeakPolarHBondContact O-CG 3.2Å; R533-L537 PolarHBondContact O-N 3.32Å
534	L	48.5	Very low	41.4	Very low	37 Å²	37	86.7 Å²	86.7	19%	0.194	42%	0.422	C	S	.	.	H	α-helix	trans	-67.8	-43.7	179.4	-168.2	71.1	0	0	0	111.4	F438 F530 Q531 I536 L537 I538	F438-L534 HydrophobicContact CE2-CD1 4.31Å; F530-L534 PolarHBondContact O-N 2.79Å; F530-L534 VanDerWaalsContact O-N 3.16Å; Q531-L534 PolarHBondContact O-N 3.15Å; L534-I536 VanDerWaalsContact C-N 3.35Å; L534-I536 PolarHBondContact O-N 2.89Å; L534-L537 PolarHBondContact O-N 3.2Å; L534-L537 VanDerWaalsContact O-N 3.16Å; L534-I538 HydrophobicContact CD2-CD1 4.45Å; L534-I538 HydrophobicContact CG-CD1 3.96Å; L534-I538 WeakPolarHBondContact O-CB 3.45Å; L534-I538 VanDerWaalsContact O-CG1 3.24Å; L534-I538 WeakPolarHBondContact O-CG1 3.4Å; L534-I538 PolarHBondContact O-N 2.68Å
535	L	51.7	Low	41.7	Very low	53 Å²	53	81.3 Å²	81.3	28%	0.277	41%	0.407	S	S	.	.	H	α-helix	trans	-63.6	-42	177	-153.4	95.2	0	0	0	111.2	V478 Y521 Q531 I538 L539	V478-L535 HydrophobicContact CG1-CD2 3.95Å; V478-L535 HydrophobicContact CG2-CD2 4.28Å; Y521-L535 HydrophobicContact CE1-CD2 3.95Å; Y521-L535 WeakPolarHBondContact OH-CD2 3.28Å; Q531-L535 WeakPolarHBondContact O-CB 3.47Å; Q531-L535 PolarHBondContact O-N 3.45Å; L535-I538 PolarHBondContact O-N 3.13Å; L535-L539 HydrophobicContact CD2-CD1 4.07Å; L535-L539 HydrophobicContact CG-CD1 4.27Å; L535-L539 VanDerWaalsContact O-CB 3.28Å; L535-L539 WeakPolarHBondContact O-CB 3.36Å; L535-L539 WeakPolarHBondContact O-CD1 3.27Å; L535-L539 WeakPolarHBondContact O-CG 3.5Å; L535-L539 PolarHBondContact O-N 2.94Å
536	I	50.5	Low	41.8	Very low	35 Å²	35	81.9 Å²	81.9	18%	0.179	41%	0.406	C	S	.	.	H	α-helix	trans	-60.4	-47.4	171.5	-76.6	179	0	0	0	110.3	I519 F532 R533 L534 I538 L539 M540	I519-I536 HydrophobicContact CD1-CG1 4.34Å; F532-I536 HydrophobicContact CD1-CD1 3.54Å; F532-I536 HydrophobicContact CD1-CG1 4.4Å; F532-I536 HydrophobicContact CE1-CD1 3.13Å; F532-I536 HydrophobicContact CE1-CG1 4.26Å; F532-I536 HydrophobicContact CE2-CD1 4.36Å; F532-I536 HydrophobicContact CG-CD1 4.32Å; F532-I536 HydrophobicContact CZ-CD1 3.6Å; F532-I536 HydrophobicContact CZ-CG1 4.49Å; F532-I536 VanDerWaalsContact O-CB 3.29Å; F532-I536 WeakPolarHBondContact O-CB 3.37Å; F532-I536 VanDerWaalsContact O-CG1 3.26Å; F532-I536 WeakPolarHBondContact O-CG1 3.43Å; F532-I536 PolarHBondContact O-N 2.71Å; R533-I536 PolarHBondContact O-N 3.21Å; L534-I536 VanDerWaalsContact C-N 3.35Å; L534-I536 PolarHBondContact O-N 2.89Å; I536-I538 PolarHBondContact O-N 3.23Å; I536-L539 CarbonylContact O-C 3.57Å; I536-L539 PolarHBondContact O-N 3.29Å; I536-M540 HydrophobicContact CG2-CE 3.73Å; I536-M540 HydrophobicContact CG2-CG 3.85Å; I536-M540 VanDerWaalsContact O-CB 3.31Å; I536-M540 WeakPolarHBondContact O-CB 3.38Å; I536-M540 WeakPolarHBondContact O-CG 3.36Å; I536-M540 PolarHBondContact O-N 3.26Å
537	L	49.1	Very low	42.4	Very low	85 Å²	85	74.8 Å²	74.8	45%	0.445	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-40.5	179.5	-75.1	165.9	0	0	0	112.6	F438 R533 L534 M540 S541	F438-L537 HydrophobicContact CZ-CB 4.25Å; F438-L537 HydrophobicContact CZ-CD1 4.44Å; R533-L537 WeakPolarHBondContact O-CB 3.48Å; R533-L537 WeakPolarHBondContact O-CG 3.2Å; R533-L537 PolarHBondContact O-N 3.32Å; L534-L537 PolarHBondContact O-N 3.2Å; L534-L537 VanDerWaalsContact O-N 3.16Å; L537-M540 PolarHBondContact O-N 2.65Å; L537-S541 PolarHBondContact O-N 3.37Å; L537-S541 PolarHBondContact O-OG 3.04Å
538	I	51.1	Low	42.9	Very low	39 Å²	39	76.1 Å²	76.1	20%	0.2	38%	0.376	C	S	.	.	H	α-helix	trans	-65.1	-40.3	174.9	-67.4	164.5	0	0	0	110.6	L534 L535 I536 S541 A542	L534-I538 HydrophobicContact CD2-CD1 4.45Å; L534-I538 HydrophobicContact CG-CD1 3.96Å; L534-I538 WeakPolarHBondContact O-CB 3.45Å; L534-I538 VanDerWaalsContact O-CG1 3.24Å; L534-I538 WeakPolarHBondContact O-CG1 3.4Å; L534-I538 PolarHBondContact O-N 2.68Å; L535-I538 PolarHBondContact O-N 3.13Å; I536-I538 PolarHBondContact O-N 3.23Å; I538-S541 WeakPolarHBondContact CA-OG 3.01Å; I538-S541 PolarHBondContact O-OG 3.31Å; I538-A542 WeakPolarHBondContact O-CB 3.11Å; I538-A542 PolarHBondContact O-N 2.92Å
539	L	50	Low	43.6	Very low	10 Å²	10	76.9 Å²	76.9	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-72.1	-31.9	175.3	-69	170.4	0	0	0	111.9	M473 L480 I519 L535 I536 A542 F543	M473-L539 HydrophobicContact CE-CD2 4.03Å; L480-L539 HydrophobicContact CD1-CD1 4.45Å; L480-L539 HydrophobicContact CD1-CD2 4.04Å; L480-L539 HydrophobicContact CD2-CD2 3.76Å; L480-L539 HydrophobicContact CG-CD2 4.37Å; I519-L539 HydrophobicContact CD1-CD1 3.74Å; I519-L539 HydrophobicContact CG1-CD1 4.21Å; I519-L539 HydrophobicContact CG2-CD1 4.22Å; L535-L539 HydrophobicContact CD2-CD1 4.07Å; L535-L539 HydrophobicContact CG-CD1 4.27Å; L535-L539 VanDerWaalsContact O-CB 3.28Å; L535-L539 WeakPolarHBondContact O-CB 3.36Å; L535-L539 WeakPolarHBondContact O-CD1 3.27Å; L535-L539 WeakPolarHBondContact O-CG 3.5Å; L535-L539 PolarHBondContact O-N 2.94Å; I536-L539 CarbonylContact O-C 3.57Å; I536-L539 PolarHBondContact O-N 3.29Å; L539-A542 WeakPolarHBondContact O-CB 3.47Å; L539-A542 PolarHBondContact O-N 3.35Å; L539-F543 VanDerWaalsContact O-CD2 3.29Å; L539-F543 WeakPolarHBondContact O-CD2 3.36Å
540	M	42.5	Very low	44.6	Very low	41 Å²	41	71.9 Å²	71.9	20%	0.202	34%	0.343	C	S	.	.	H	α-helix	trans	-75.6	-25.8	175.8	-70.3	-41.7	143.5	0	0	112.7	Y513 I536 L537 F543	Y513-M540 HydrophobicContact CD1-CE 3.63Å; Y513-M540 HydrophobicContact CD1-SD 3.56Å; Y513-M540 VanDerWaalsContact CD1-SD 3.56Å; Y513-M540 HydrophobicContact CD2-CE 3.28Å; Y513-M540 HydrophobicContact CD2-SD 3.98Å; Y513-M540 HydrophobicContact CE1-CE 3.76Å; Y513-M540 HydrophobicContact CE1-SD 3.12Å; Y513-M540 WeakPolarHBondContact CE1-SD 3.44Å; Y513-M540 HydrophobicContact CE2-CE 3.43Å; Y513-M540 VanDerWaalsContact CE2-CE 3.43Å; Y513-M540 HydrophobicContact CE2-SD 3.58Å; Y513-M540 VanDerWaalsContact CE2-SD 3.58Å; Y513-M540 HydrophobicContact CG-CE 3.38Å; Y513-M540 HydrophobicContact CG-SD 3.96Å; Y513-M540 PolarHBondContact OH-SD 2.96Å; I536-M540 HydrophobicContact CG2-CE 3.73Å; I536-M540 HydrophobicContact CG2-CG 3.85Å; I536-M540 VanDerWaalsContact O-CB 3.31Å; I536-M540 WeakPolarHBondContact O-CB 3.38Å; I536-M540 WeakPolarHBondContact O-CG 3.36Å; I536-M540 PolarHBondContact O-N 3.26Å; L537-M540 PolarHBondContact O-N 2.65Å; M540-F543 VanDerWaalsContact O-OXT 3.11Å
541	S	43.1	Very low	45.6	Very low	41 Å²	41	65.2 Å²	65.2	29%	0.287	32%	0.316	S	S	.	.	S	Bend	trans	-77.8	-10.8	168.4	56.4	0	0	0	0	112.3	L537 I538	L537-S541 PolarHBondContact O-N 3.37Å; L537-S541 PolarHBondContact O-OG 3.04Å; I538-S541 WeakPolarHBondContact CA-OG 3.01Å; I538-S541 PolarHBondContact O-OG 3.31Å
542	A	47.1	Very low	46	Very low	33 Å²	33	60.9 Å²	60.9	27%	0.273	30%	0.297	S	S	.	.			trans	-95.8	-7.8	-178.4	0	0	0	0	0	116	M446 I538 L539	M446-A542 HydrophobicContact CE-CB 3.34Å; M446-A542 HydrophobicContact SD-CB 3.67Å; I538-A542 WeakPolarHBondContact O-CB 3.11Å; I538-A542 PolarHBondContact O-N 2.92Å; L539-A542 WeakPolarHBondContact O-CB 3.47Å; L539-A542 PolarHBondContact O-N 3.35Å
543	F	37.8	Very low	46.7	Very low	139 Å²	139	63.3 Å²	63.3	61%	0.61	31%	0.31	S	S	*	.			trans	-128.5	0	174.1	-69	-80.8	0	0	0	109.9	I472 L480 V517 L539 M540	I472-F543 HydrophobicContact CD1-CE1 4.02Å; I472-F543 HydrophobicContact CD1-CZ 3.61Å; L480-F543 HydrophobicContact CD1-CE2 4.04Å; L480-F543 HydrophobicContact CD1-CZ 4.34Å; L480-F543 HydrophobicContact CD2-CE2 3.97Å; L480-F543 HydrophobicContact CD2-CZ 4.02Å; L480-F543 HydrophobicContact CG-CE2 4.44Å; L480-F543 HydrophobicContact CG-CZ 4.4Å; V517-F543 HydrophobicContact CB-CE2 4.39Å; V517-F543 HydrophobicContact CB-CZ 4.3Å; V517-F543 HydrophobicContact CG1-CD2 4.24Å; V517-F543 HydrophobicContact CG1-CE1 4.43Å; V517-F543 HydrophobicContact CG1-CE2 3.55Å; V517-F543 HydrophobicContact CG1-CZ 3.63Å; V517-F543 HydrophobicContact CG2-CD1 3.83Å; V517-F543 HydrophobicContact CG2-CD2 4.19Å; V517-F543 HydrophobicContact CG2-CE1 3.56Å; V517-F543 HydrophobicContact CG2-CE2 3.98Å; V517-F543 HydrophobicContact CG2-CG 4.12Å; V517-F543 HydrophobicContact CG2-CZ 3.62Å; L539-F543 VanDerWaalsContact O-CD2 3.29Å; L539-F543 WeakPolarHBondContact O-CD2 3.36Å; M540-F543 VanDerWaalsContact O-OXT 3.11Å

Retrieved 543 of 543 residues in 307.5 ms (Link to these results)

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