A0AA82N852_SCHMA Loading...

CCHC-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N852, 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	81.7	Confident	87.2	Confident	91 Å²	91	78 Å²	78	45%	0.448	39%	0.393	S	S	.	.				0	140.5	0	-160.3	167	-167.3	0	0	108.3	Y16 R19 F20 F42	M1-Y16 HydrophobicContact CE-CE2 4.46Å; M1-R19 HydrophobicContact CE-CB 3.54Å; M1-F20 HydrophobicContact CE-CB 3.65Å; M1-F20 HydrophobicContact CE-CD2 4.47Å; M1-F20 HydrophobicContact SD-CB 4.22Å; M1-F20 HydrophobicContact SD-CD2 3.91Å; M1-F42 HydrophobicContact CB-CD1 3.87Å; M1-F42 HydrophobicContact CB-CE1 4.37Å; M1-F42 HydrophobicContact CB-CG 4.3Å; M1-F42 HydrophobicContact SD-CB 4.35Å; M1-F42 HydrophobicContact SD-CG 4.45Å
2	E	86.8	Confident	87.5	Confident	125 Å²	125	74.8 Å²	74.8	58%	0.584	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-61.8	159.6	171	-168.5	175.1	-163.2	0	0	110.2	Y16 R19	E2-Y16 WeakPolarHBondContact O-CE2 3.08Å; E2-R19 IonicContact OE2-CZ 3.98Å; E2-R19 IonicContact OE2-NH1 2.63Å; E2-R19 PolarHBondContact OE2-NH1 3.24Å; E2-R19 IonicContact OE2-NH2 3.02Å; E2-R19 PolarHBondContact OE2-NH2 3.25Å
3	R	91.9	Very high	87.9	Confident	186 Å²	186	69.4 Å²	69.4	70%	0.702	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-85.5	152	175.8	-68.3	179.6	176.5	167	1.5	110	D5	R3-D5 PolarHBondContact O-N 2.98Å
4	L	92	Very high	88.3	Confident	10 Å²	10	71.8 Å²	71.8	5%	0.052	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-75.1	121.4	174.5	178.5	65.3	0	0	0	109.8	I6 F13 Y16 M17 I43 A47 L72	L4-I6 HydrophobicContact CD2-CG2 4.34Å; L4-I6 HydrophobicContact CG-CG2 4.42Å; L4-F13 HydrophobicContact CD1-CD2 4.01Å; L4-F13 HydrophobicContact CD2-CD2 4.17Å; L4-F13 HydrophobicContact CD2-CE2 4.16Å; L4-Y16 HydrophobicContact CB-CD1 4.11Å; L4-Y16 HydrophobicContact CB-CD2 4.02Å; L4-Y16 HydrophobicContact CB-CE1 4Å; L4-Y16 HydrophobicContact CB-CE2 3.87Å; L4-Y16 HydrophobicContact CB-CG 4.15Å; L4-Y16 HydrophobicContact CD1-CD1 3.76Å; L4-Y16 HydrophobicContact CD1-CD2 4.16Å; L4-Y16 HydrophobicContact CD1-CE1 4.47Å; L4-Y16 HydrophobicContact CD1-CG 3.61Å; L4-Y16 HydrophobicContact CD2-CD1 4.43Å; L4-Y16 HydrophobicContact CG-CD1 4.32Å; L4-Y16 HydrophobicContact CG-CG 4.42Å; L4-M17 HydrophobicContact CD2-CE 4.11Å; L4-I43 WeakPolarHBondContact CB-O 3.44Å; L4-I43 PolarHBondContact N-O 3.22Å; L4-A47 HydrophobicContact CB-CB 4.36Å; L4-A47 HydrophobicContact CD2-CB 4.07Å; L4-L72 HydrophobicContact CD2-CD1 3.82Å
5	D	89.4	Confident	88.6	Confident	84 Å²	84	75 Å²	75	45%	0.449	38%	0.381	S	S	.	.			trans	-87.2	106.3	166.8	-179	2	0	0	0	109.3	R3 N7 S8	R3-D5 PolarHBondContact O-N 2.98Å; D5-N7 PolarHBondContact O-N 3.49Å; D5-N7 WeakPolarHBondContact OD1-CB 3.42Å; D5-N7 PolarHBondContact OD1-N 3.47Å; D5-N7 PolarHBondContact OD1-ND2 3.44Å; D5-S8 WeakPolarHBondContact O-CB 3.46Å; D5-S8 PolarHBondContact O-N 3.29Å; D5-S8 PolarHBondContact O-OG 3.29Å
6	I	86.4	Confident	89	Confident	20 Å²	20	70.5 Å²	70.5	10%	0.103	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.5	-178.9	57.7	172.4	0	0	0	113.7	L4 E46 A47 L50	L4-I6 HydrophobicContact CD2-CG2 4.34Å; L4-I6 HydrophobicContact CG-CG2 4.42Å; I6-E46 HydrophobicContact CD1-CB 4.09Å; I6-E46 HydrophobicContact CG1-CB 4.39Å; I6-A47 HydrophobicContact CG2-CB 3.67Å; I6-L50 HydrophobicContact CD1-CD2 4.29Å; I6-L50 HydrophobicContact CG2-CD2 4.36Å
7	N	83.1	Confident	89.4	Confident	113 Å²	113	66.6 Å²	66.6	60%	0.604	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.5	177.5	-52.5	-60.5	0	0	0	112	D5	D5-N7 PolarHBondContact O-N 3.49Å; D5-N7 WeakPolarHBondContact OD1-CB 3.42Å; D5-N7 PolarHBondContact OD1-N 3.47Å; D5-N7 PolarHBondContact OD1-ND2 3.44Å
8	S	83.5	Confident	89.7	Confident	24 Å²	24	69.7 Å²	69.7	17%	0.168	35%	0.351	C	S	.	.	S	Bend	trans	-73.1	158.1	175.7	71	0	0	0	0	111.6	D5 A12	D5-S8 WeakPolarHBondContact O-CB 3.46Å; D5-S8 PolarHBondContact O-N 3.29Å; D5-S8 PolarHBondContact O-OG 3.29Å; S8-A12 WeakPolarHBondContact OG-CB 3.11Å
9	G	85	Confident	90	Very high	34 Å²	34	71.4 Å²	71.4	35%	0.351	35%	0.353	S	S	.	.			trans	-67.4	165.2	178	0	0	0	0	0	112.6	N11 A12 F13	G9-N11 VanDerWaalsContact C-N 3.28Å; G9-N11 PolarHBondContact O-N 2.78Å; G9-N11 VanDerWaalsContact O-N 3.15Å; G9-A12 PolarHBondContact O-N 3.37Å; G9-F13 PolarHBondContact O-N 3.23Å
10	F	89.7	Confident	90.2	Very high	58 Å²	58	67.9 Å²	67.9	25%	0.254	34%	0.335	S	S	.	.	H	α-helix	trans	-49.6	-42.7	-178.3	176.2	-118.5	0	0	0	114.6	A12 F13 E14 L73 M77 N80	F10-A12 VanDerWaalsContact C-N 3.32Å; F10-A12 PolarHBondContact O-N 3.06Å; F10-F13 WeakPolarHBondContact O-CB 3.03Å; F10-F13 PolarHBondContact O-N 3.2Å; F10-F13 VanDerWaalsContact O-N 3.17Å; F10-E14 HydrophobicContact CD2-CG 4.17Å; F10-E14 VanDerWaalsContact CE1-CD 3.42Å; F10-E14 HydrophobicContact CE1-CG 4Å; F10-E14 WeakPolarHBondContact CE1-OE1 3.39Å; F10-E14 HydrophobicContact CE2-CG 3.58Å; F10-E14 HydrophobicContact CZ-CG 3.56Å; F10-E14 WeakPolarHBondContact CZ-OE1 3.17Å; F10-E14 PolarHBondContact O-N 2.96Å; F10-L73 HydrophobicContact CD2-CD1 4.05Å; F10-L73 HydrophobicContact CE2-CD1 3.5Å; F10-L73 VanDerWaalsContact CE2-CD1 3.5Å; F10-M77 HydrophobicContact CD1-CE 4.09Å; F10-M77 HydrophobicContact CD2-CE 3.09Å; F10-M77 HydrophobicContact CD2-SD 4.36Å; F10-M77 HydrophobicContact CE1-CE 3.97Å; F10-M77 HydrophobicContact CE2-CE 2.97Å; F10-M77 HydrophobicContact CG-CE 3.65Å; F10-M77 HydrophobicContact CZ-CE 3.39Å; F10-N80 PolarHBondContact N-ND2 2.56Å
11	N	89.6	Confident	90.4	Very high	113 Å²	113	67.7 Å²	67.7	60%	0.604	33%	0.334	S	S	*	.	H	α-helix	trans	-60.6	-40.7	179.5	-63.6	1.7	0	0	0	112.3	G9 F13 E14 E15	G9-N11 VanDerWaalsContact C-N 3.28Å; G9-N11 PolarHBondContact O-N 2.78Å; G9-N11 VanDerWaalsContact O-N 3.15Å; N11-F13 VanDerWaalsContact C-N 3.32Å; N11-F13 PolarHBondContact O-N 3.07Å; N11-E14 PolarHBondContact O-N 3.09Å; N11-E15 WeakPolarHBondContact O-CG 3.23Å; N11-E15 PolarHBondContact O-N 3.35Å
12	A	91	Very high	91	Very high	40 Å²	40	67.5 Å²	67.5	33%	0.331	33%	0.333	S	S	.	.	H	α-helix	trans	-69.1	-33.2	179.2	0	0	0	0	0	111.8	S8 G9 F10 Y16	S8-A12 WeakPolarHBondContact OG-CB 3.11Å; G9-A12 PolarHBondContact O-N 3.37Å; F10-A12 VanDerWaalsContact C-N 3.32Å; F10-A12 PolarHBondContact O-N 3.06Å; A12-Y16 WeakPolarHBondContact O-CB 3.43Å; A12-Y16 PolarHBondContact O-N 2.97Å
13	F	93	Very high	91.4	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-46.8	170.8	174.8	-92.3	0	0	0	111.7	L4 G9 F10 N11 Y16 M17 L72 L73 V76	L4-F13 HydrophobicContact CD1-CD2 4.01Å; L4-F13 HydrophobicContact CD2-CD2 4.17Å; L4-F13 HydrophobicContact CD2-CE2 4.16Å; G9-F13 PolarHBondContact O-N 3.23Å; F10-F13 WeakPolarHBondContact O-CB 3.03Å; F10-F13 PolarHBondContact O-N 3.2Å; F10-F13 VanDerWaalsContact O-N 3.17Å; N11-F13 VanDerWaalsContact C-N 3.32Å; N11-F13 PolarHBondContact O-N 3.07Å; F13-Y16 PolarHBondContact O-N 2.98Å; F13-M17 HydrophobicContact CD1-CG 4.31Å; F13-M17 HydrophobicContact CD2-CE 4.01Å; F13-M17 HydrophobicContact CE1-CE 4.26Å; F13-M17 HydrophobicContact CE1-CG 3.89Å; F13-M17 HydrophobicContact CE2-CE 3.18Å; F13-M17 HydrophobicContact CE2-CG 4.32Å; F13-M17 HydrophobicContact CZ-CE 3.35Å; F13-M17 HydrophobicContact CZ-CG 3.91Å; F13-M17 HydrophobicContact CZ-SD 4.35Å; F13-M17 WeakPolarHBondContact O-CG 3.27Å; F13-M17 PolarHBondContact O-N 3.41Å; F13-L72 HydrophobicContact CE2-CB 3.61Å; F13-L72 HydrophobicContact CE2-CD1 4.47Å; F13-L72 HydrophobicContact CZ-CB 3.95Å; F13-L73 HydrophobicContact CD1-CD1 4.15Å; F13-L73 HydrophobicContact CE1-CB 3.84Å; F13-L73 HydrophobicContact CE1-CD1 3.79Å; F13-L73 HydrophobicContact CE1-CG 4.39Å; F13-L73 HydrophobicContact CZ-CB 3.95Å; F13-V76 HydrophobicContact CB-CG1 4.07Å; F13-V76 HydrophobicContact CB-CG2 4.37Å; F13-V76 HydrophobicContact CD2-CG2 3.78Å; F13-V76 HydrophobicContact CE2-CG2 4.29Å; F13-V76 HydrophobicContact CG-CB 4.48Å; F13-V76 HydrophobicContact CG-CG1 4.35Å; F13-V76 HydrophobicContact CG-CG2 4.12Å
14	E	92.9	Very high	91.4	Very high	103 Å²	103	56 Å²	56	48%	0.481	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-46.7	176.8	-72.1	-162.1	138	0	0	112.1	F10 N11 Y16 M17 E18	F10-E14 HydrophobicContact CD2-CG 4.17Å; F10-E14 VanDerWaalsContact CE1-CD 3.42Å; F10-E14 HydrophobicContact CE1-CG 4Å; F10-E14 WeakPolarHBondContact CE1-OE1 3.39Å; F10-E14 HydrophobicContact CE2-CG 3.58Å; F10-E14 HydrophobicContact CZ-CG 3.56Å; F10-E14 WeakPolarHBondContact CZ-OE1 3.17Å; F10-E14 PolarHBondContact O-N 2.96Å; N11-E14 PolarHBondContact O-N 3.09Å; E14-Y16 VanDerWaalsContact C-N 3.28Å; E14-Y16 PolarHBondContact O-N 3.12Å; E14-M17 PolarHBondContact O-N 2.76Å; E14-M17 VanDerWaalsContact O-N 3.09Å; E14-E18 PolarHBondContact O-N 3.04Å
15	E	93.3	Very high	91.4	Very high	120 Å²	120	61.2 Å²	61.2	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-59.6	-37.5	176.8	-74.7	176.7	-165.6	0	0	112.2	N11 R19	N11-E15 WeakPolarHBondContact O-CG 3.23Å; N11-E15 PolarHBondContact O-N 3.35Å; E15-R19 VanDerWaalsContact O-CG 3.29Å; E15-R19 WeakPolarHBondContact O-CG 3.28Å; E15-R19 PolarHBondContact O-N 3.09Å; E15-R19 VanDerWaalsContact O-N 3.13Å
16	Y	95.4	Very high	91.4	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-47.2	173.2	177.6	-84.7	0	0	0	111.7	M1 E2 L4 A12 F13 E14 R19 F20 F39 F42 I43	M1-Y16 HydrophobicContact CE-CE2 4.46Å; E2-Y16 WeakPolarHBondContact O-CE2 3.08Å; L4-Y16 HydrophobicContact CB-CD1 4.11Å; L4-Y16 HydrophobicContact CB-CD2 4.02Å; L4-Y16 HydrophobicContact CB-CE1 4Å; L4-Y16 HydrophobicContact CB-CE2 3.87Å; L4-Y16 HydrophobicContact CB-CG 4.15Å; L4-Y16 HydrophobicContact CD1-CD1 3.76Å; L4-Y16 HydrophobicContact CD1-CD2 4.16Å; L4-Y16 HydrophobicContact CD1-CE1 4.47Å; L4-Y16 HydrophobicContact CD1-CG 3.61Å; L4-Y16 HydrophobicContact CD2-CD1 4.43Å; L4-Y16 HydrophobicContact CG-CD1 4.32Å; L4-Y16 HydrophobicContact CG-CG 4.42Å; A12-Y16 WeakPolarHBondContact O-CB 3.43Å; A12-Y16 PolarHBondContact O-N 2.97Å; F13-Y16 PolarHBondContact O-N 2.98Å; E14-Y16 VanDerWaalsContact C-N 3.28Å; E14-Y16 PolarHBondContact O-N 3.12Å; Y16-R19 PolarHBondContact O-N 2.79Å; Y16-F20 HydrophobicContact CE1-CB 4.46Å; Y16-F20 PolarHBondContact O-N 3.16Å; Y16-F39 HydrophobicContact CE1-CE2 4.44Å; Y16-F42 VanDerWaalsContact OH-C 3.3Å; Y16-F42 PolarHBondContact OH-O 3.44Å; Y16-I43 HydrophobicContact CE1-CG2 4.12Å; Y16-I43 VanDerWaalsContact OH-CA 3.27Å; Y16-I43 WeakPolarHBondContact OH-CA 3.46Å; Y16-I43 PolarHBondContact OH-N 2.91Å
17	M	95	Very high	91.6	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.02	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-42	-178.9	-68.9	-60.1	164.4	0	0	111.7	L4 F13 E14 F20 E21 F39 K69 L72	L4-M17 HydrophobicContact CD2-CE 4.11Å; F13-M17 HydrophobicContact CD1-CG 4.31Å; F13-M17 HydrophobicContact CD2-CE 4.01Å; F13-M17 HydrophobicContact CE1-CE 4.26Å; F13-M17 HydrophobicContact CE1-CG 3.89Å; F13-M17 HydrophobicContact CE2-CE 3.18Å; F13-M17 HydrophobicContact CE2-CG 4.32Å; F13-M17 HydrophobicContact CZ-CE 3.35Å; F13-M17 HydrophobicContact CZ-CG 3.91Å; F13-M17 HydrophobicContact CZ-SD 4.35Å; F13-M17 WeakPolarHBondContact O-CG 3.27Å; F13-M17 PolarHBondContact O-N 3.41Å; E14-M17 PolarHBondContact O-N 2.76Å; E14-M17 VanDerWaalsContact O-N 3.09Å; M17-F20 PolarHBondContact O-N 3.02Å; M17-F20 VanDerWaalsContact O-N 3.15Å; M17-E21 WeakPolarHBondContact O-CG 3.14Å; M17-E21 PolarHBondContact O-N 3.49Å; M17-F39 HydrophobicContact CE-CE2 3.92Å; M17-F39 HydrophobicContact CE-CZ 3.76Å; M17-F39 HydrophobicContact SD-CE2 3.79Å; M17-F39 HydrophobicContact SD-CZ 4.11Å; M17-K69 HydrophobicContact SD-CG 4.16Å; M17-L72 HydrophobicContact CE-CD1 4.02Å
18	E	94.9	Very high	91.4	Very high	122 Å²	122	65.8 Å²	65.8	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-61.2	-46.6	175.9	-174.9	178.1	-168.2	0	0	111.3	E14 F20 E21 I22	E14-E18 PolarHBondContact O-N 3.04Å; E18-F20 VanDerWaalsContact C-N 3.25Å; E18-F20 PolarHBondContact O-N 3.48Å; E18-E21 PolarHBondContact O-N 3.26Å; E18-I22 HydrophobicContact CG-CD1 3.95Å; E18-I22 VanDerWaalsContact O-CG1 3.27Å; E18-I22 WeakPolarHBondContact O-CG1 3.04Å; E18-I22 PolarHBondContact O-N 2.84Å
19	R	94.9	Very high	91.4	Very high	103 Å²	103	72.1 Å²	72.1	39%	0.389	36%	0.364	S	S	.	.	H	α-helix	trans	-58.7	-38.5	174.5	-73.3	-173.9	-62.1	163	-3.8	111.9	M1 E2 E15 Y16 W23	M1-R19 HydrophobicContact CE-CB 3.54Å; E2-R19 IonicContact OE2-CZ 3.98Å; E2-R19 IonicContact OE2-NH1 2.63Å; E2-R19 PolarHBondContact OE2-NH1 3.24Å; E2-R19 IonicContact OE2-NH2 3.02Å; E2-R19 PolarHBondContact OE2-NH2 3.25Å; E15-R19 VanDerWaalsContact O-CG 3.29Å; E15-R19 WeakPolarHBondContact O-CG 3.28Å; E15-R19 PolarHBondContact O-N 3.09Å; E15-R19 VanDerWaalsContact O-N 3.13Å; Y16-R19 PolarHBondContact O-N 2.79Å; R19-W23 WeakPolarHBondContact O-CB 3.26Å; R19-W23 PolarHBondContact O-N 2.86Å
20	F	95.4	Very high	91.4	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-68.8	-43.5	-179.3	177.9	-100.5	0	0	0	110.7	M1 Y16 M17 E18 W23 A24 I35 F39 F42 Y65	M1-F20 HydrophobicContact CE-CB 3.65Å; M1-F20 HydrophobicContact CE-CD2 4.47Å; M1-F20 HydrophobicContact SD-CB 4.22Å; M1-F20 HydrophobicContact SD-CD2 3.91Å; Y16-F20 HydrophobicContact CE1-CB 4.46Å; Y16-F20 PolarHBondContact O-N 3.16Å; M17-F20 PolarHBondContact O-N 3.02Å; M17-F20 VanDerWaalsContact O-N 3.15Å; E18-F20 VanDerWaalsContact C-N 3.25Å; E18-F20 PolarHBondContact O-N 3.48Å; F20-W23 HydrophobicContact CD2-CE3 4.12Å; F20-W23 AromaticContact CE2-CE3 3.79Å; F20-W23 HydrophobicContact CE2-CE3 3.79Å; F20-W23 AromaticContact CE2-CZ3 3.88Å; F20-W23 HydrophobicContact CE2-CZ3 3.88Å; F20-W23 HydrophobicContact CZ-CE3 4.45Å; F20-W23 HydrophobicContact CZ-CZ3 4.33Å; F20-W23 PolarHBondContact O-N 3.46Å; F20-A24 HydrophobicContact CE1-CB 4.49Å; F20-A24 WeakPolarHBondContact O-CB 3.15Å; F20-A24 PolarHBondContact O-N 3.2Å; F20-I35 HydrophobicContact CE1-CD1 4.31Å; F20-I35 HydrophobicContact CE1-CG1 3.91Å; F20-I35 HydrophobicContact CZ-CG1 4.07Å; F20-F39 AromaticContact CD1-CD2 3.7Å; F20-F39 HydrophobicContact CD1-CD2 3.7Å; F20-F39 HydrophobicContact CD1-CE2 4.27Å; F20-F39 HydrophobicContact CD2-CD2 4.18Å; F20-F39 HydrophobicContact CE1-CB 3.91Å; F20-F39 AromaticContact CE1-CD2 3.55Å; F20-F39 HydrophobicContact CE1-CD2 3.55Å; F20-F39 HydrophobicContact CE1-CE2 4.48Å; F20-F39 HydrophobicContact CE1-CG 4.14Å; F20-F39 HydrophobicContact CE2-CB 4.09Å; F20-F39 HydrophobicContact CE2-CD2 4.05Å; F20-F39 HydrophobicContact CG-CD2 4.03Å; F20-F39 VanDerWaalsContact CZ-CA 3.48Å; F20-F39 HydrophobicContact CZ-CB 3.47Å; F20-F39 VanDerWaalsContact CZ-CB 3.47Å; F20-F39 AromaticContact CZ-CD2 3.75Å; F20-F39 HydrophobicContact CZ-CD2 3.75Å; F20-F39 HydrophobicContact CZ-CG 4.1Å; F20-F42 HydrophobicContact CD2-CD2 4.48Å; F20-F42 HydrophobicContact CE2-CD2 4.02Å; F20-Y65 AromaticContact CD1-CE2 3.79Å; F20-Y65 HydrophobicContact CD1-CE2 3.79Å; F20-Y65 AromaticContact CD1-CZ 3.99Å; F20-Y65 HydrophobicContact CE1-CD2 4.11Å; F20-Y65 AromaticContact CE1-CE2 3.52Å; F20-Y65 HydrophobicContact CE1-CE2 3.52Å
21	E	94.4	Very high	91	Very high	65 Å²	65	81.1 Å²	81.1	30%	0.304	40%	0.4	S	S	.	.	H	α-helix	trans	-67	-39.3	179.1	-72.6	171.5	178.7	0	0	111.5	M17 E18 A24 M25 Y65 K69	M17-E21 WeakPolarHBondContact O-CG 3.14Å; M17-E21 PolarHBondContact O-N 3.49Å; E18-E21 PolarHBondContact O-N 3.26Å; E21-A24 PolarHBondContact O-N 2.77Å; E21-M25 WeakPolarHBondContact O-CG 3.5Å; E21-M25 PolarHBondContact O-N 2.87Å; E21-Y65 HydrophobicContact CG-CE1 4.41Å; E21-Y65 WeakPolarHBondContact CG-OH 3.3Å; E21-Y65 PolarHBondContact OE1-OH 3.33Å; E21-K69 IonicContact OE1-NZ 3.1Å; E21-K69 PolarHBondContact OE1-NZ 2.89Å; E21-K69 IonicContact OE2-NZ 2.68Å; E21-K69 PolarHBondContact OE2-NZ 3.38Å
22	I	93.7	Very high	90.7	Very high	87 Å²	87	83.3 Å²	83.3	45%	0.446	41%	0.412	S	S	.	.	H	α-helix	trans	-60	-48.1	170.8	-67.4	166	0	0	0	110.8	E18 A24 M25 T26	E18-I22 HydrophobicContact CG-CD1 3.95Å; E18-I22 VanDerWaalsContact O-CG1 3.27Å; E18-I22 WeakPolarHBondContact O-CG1 3.04Å; E18-I22 PolarHBondContact O-N 2.84Å; I22-A24 VanDerWaalsContact C-N 3.32Å; I22-A24 PolarHBondContact O-N 3.42Å; I22-M25 HydrophobicContact CB-CE 4.35Å; I22-M25 HydrophobicContact CG1-CE 4.01Å; I22-M25 PolarHBondContact O-N 3.46Å; I22-T26 PolarHBondContact O-N 3.44Å
23	W	94.3	Very high	90.5	Very high	62 Å²	62	83.7 Å²	83.7	24%	0.235	41%	0.406	C	S	.	.	H	α-helix	trans	-60.8	-42	177	174.1	82	0	0	0	111.7	R19 F20 T26 K27 F33 H38 F42	R19-W23 WeakPolarHBondContact O-CB 3.26Å; R19-W23 PolarHBondContact O-N 2.86Å; F20-W23 HydrophobicContact CD2-CE3 4.12Å; F20-W23 AromaticContact CE2-CE3 3.79Å; F20-W23 HydrophobicContact CE2-CE3 3.79Å; F20-W23 AromaticContact CE2-CZ3 3.88Å; F20-W23 HydrophobicContact CE2-CZ3 3.88Å; F20-W23 HydrophobicContact CZ-CE3 4.45Å; F20-W23 HydrophobicContact CZ-CZ3 4.33Å; F20-W23 PolarHBondContact O-N 3.46Å; W23-T26 PolarHBondContact O-N 3.26Å; W23-T26 PolarHBondContact O-OG1 3.31Å; W23-K27 HydrophobicContact CH2-CG 4.16Å; W23-K27 HydrophobicContact CZ2-CG 3.93Å; W23-F33 AromaticContact CH2-CE2 3.96Å; W23-F33 HydrophobicContact CH2-CE2 3.96Å; W23-F33 AromaticContact CZ3-CE2 3.93Å; W23-F33 HydrophobicContact CZ3-CE2 3.93Å; W23-F33 HydrophobicContact CZ3-CZ 4.3Å; W23-H38 HydrophobicContact CH2-CB 3.65Å; W23-H38 AromaticContact CH2-CD2 3.94Å; W23-H38 AromaticContact CH2-CG 3.47Å; W23-H38 VanDerWaalsContact CH2-CG 3.47Å; W23-H38 AromaticContact CH2-ND1 3.61Å; W23-H38 HydrophobicContact CZ3-CB 3.64Å; W23-H38 AromaticContact CZ3-CG 3.98Å; W23-F42 HydrophobicContact CD2-CE2 4.26Å; W23-F42 AromaticContact CE2-CE2 3.92Å; W23-F42 HydrophobicContact CE3-CD2 4.4Å; W23-F42 HydrophobicContact CE3-CE2 4.1Å; W23-F42 HydrophobicContact CH2-CD2 4.29Å; W23-F42 AromaticContact CH2-CE2 3.39Å; W23-F42 HydrophobicContact CH2-CE2 3.39Å; W23-F42 HydrophobicContact CH2-CZ 4.16Å; W23-F42 AromaticContact CZ2-CE2 3.48Å; W23-F42 HydrophobicContact CZ2-CE2 3.48Å; W23-F42 VanDerWaalsContact CZ2-CE2 3.48Å; W23-F42 AromaticContact CZ2-CZ 3.79Å; W23-F42 HydrophobicContact CZ2-CZ 3.79Å; W23-F42 HydrophobicContact CZ3-CD2 4.15Å; W23-F42 AromaticContact CZ3-CE2 3.68Å; W23-F42 HydrophobicContact CZ3-CE2 3.68Å
24	A	92.9	Very high	90.4	Very high	7 Å²	7	87.1 Å²	87.1	6%	0.058	43%	0.425	C	S	.	.	H	α-helix	trans	-63.9	-39.9	178	0	0	0	0	0	112.3	F20 E21 I22 T26 K27 E28 F33 I35	F20-A24 HydrophobicContact CE1-CB 4.49Å; F20-A24 WeakPolarHBondContact O-CB 3.15Å; F20-A24 PolarHBondContact O-N 3.2Å; E21-A24 PolarHBondContact O-N 2.77Å; I22-A24 VanDerWaalsContact C-N 3.32Å; I22-A24 PolarHBondContact O-N 3.42Å; A24-T26 PolarHBondContact O-N 3.49Å; A24-K27 CarbonylContact O-C 3.51Å; A24-K27 WeakPolarHBondContact O-CA 3.22Å; A24-K27 WeakPolarHBondContact O-CB 2.78Å; A24-K27 PolarHBondContact O-N 3.15Å; A24-E28 PolarHBondContact O-N 3.38Å; A24-F33 HydrophobicContact CB-CE1 4.33Å; A24-F33 HydrophobicContact CB-CZ 3.76Å; A24-I35 HydrophobicContact CB-CD1 4.17Å; A24-I35 HydrophobicContact CB-CG1 4.41Å
25	M	91.2	Very high	90.5	Very high	119 Å²	119	84.8 Å²	84.8	59%	0.586	42%	0.415	S	S	*	.	H	α-helix	trans	-61.1	-32.1	175	-73.9	-174.5	-66.9	0	0	112.4	E21 I22 K27 E28	E21-M25 WeakPolarHBondContact O-CG 3.5Å; E21-M25 PolarHBondContact O-N 2.87Å; I22-M25 HydrophobicContact CB-CE 4.35Å; I22-M25 HydrophobicContact CG1-CE 4.01Å; I22-M25 PolarHBondContact O-N 3.46Å; M25-K27 PolarHBondContact O-N 3.24Å; M25-E28 PolarHBondContact O-N 3.16Å
26	T	90.6	Very high	90.6	Very high	96 Å²	96	79.8 Å²	79.8	59%	0.589	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.9	174.4	70.2	0	0	0	0	114	I22 W23 A24	I22-T26 PolarHBondContact O-N 3.44Å; W23-T26 PolarHBondContact O-N 3.26Å; W23-T26 PolarHBondContact O-OG1 3.31Å; A24-T26 PolarHBondContact O-N 3.49Å
27	K	89.5	Confident	90.6	Very high	73 Å²	73	81.1 Å²	81.1	32%	0.317	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-0.1	-176.8	-68.3	-68.7	174.3	-167.6	0	114	W23 A24 M25 D29 D30 F33	W23-K27 HydrophobicContact CH2-CG 4.16Å; W23-K27 HydrophobicContact CZ2-CG 3.93Å; A24-K27 CarbonylContact O-C 3.51Å; A24-K27 WeakPolarHBondContact O-CA 3.22Å; A24-K27 WeakPolarHBondContact O-CB 2.78Å; A24-K27 PolarHBondContact O-N 3.15Å; M25-K27 PolarHBondContact O-N 3.24Å; K27-D29 PolarHBondContact O-N 2.99Å; K27-D30 WeakPolarHBondContact CD-OD2 3.4Å; K27-D30 IonicContact NZ-OD2 2.76Å; K27-D30 PolarHBondContact NZ-OD2 2.81Å; K27-D30 VanDerWaalsContact NZ-OD2 3.1Å; K27-D30 WeakPolarHBondContact O-CB 3.1Å; K27-D30 PolarHBondContact O-N 3.27Å; K27-D30 VanDerWaalsContact O-N 3.09Å; K27-F33 HydrophobicContact CB-CD2 3.52Å; K27-F33 HydrophobicContact CB-CE2 3.46Å; K27-F33 VanDerWaalsContact CB-CE2 3.46Å; K27-F33 HydrophobicContact CB-CG 4.17Å; K27-F33 HydrophobicContact CB-CZ 4.06Å; K27-F33 HydrophobicContact CG-CD2 4.47Å; K27-F33 HydrophobicContact CG-CE2 4.25Å; K27-F33 WeakPolarHBondContact O-CB 3.31Å; K27-F33 WeakPolarHBondContact O-CG 3.21Å
28	E	78.5	Confident	90.5	Very high	145 Å²	145	84.1 Å²	84.1	68%	0.678	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.3	-176.6	-166.8	170.7	-175.1	0	0	113.1	A24 M25 D30	A24-E28 PolarHBondContact O-N 3.38Å; M25-E28 PolarHBondContact O-N 3.16Å; E28-D30 VanDerWaalsContact C-N 3.31Å; E28-D30 PolarHBondContact O-N 3.05Å
29	D	83.6	Confident	90.6	Very high	157 Å²	157	78.3 Å²	78.3	84%	0.84	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-10	177.1	-64	-36.4	0	0	0	114	K27 E31	K27-D29 PolarHBondContact O-N 2.99Å; D29-E31 PolarHBondContact O-N 3.06Å
30	D	85.2	Confident	90.6	Very high	78 Å²	78	74.4 Å²	74.4	42%	0.417	38%	0.378	S	S	.	.			trans	-80.7	114.5	178.4	-68.7	-26.3	0	0	0	109	K27 E28 D32 F33	K27-D30 WeakPolarHBondContact CD-OD2 3.4Å; K27-D30 IonicContact NZ-OD2 2.76Å; K27-D30 PolarHBondContact NZ-OD2 2.81Å; K27-D30 VanDerWaalsContact NZ-OD2 3.1Å; K27-D30 WeakPolarHBondContact O-CB 3.1Å; K27-D30 PolarHBondContact O-N 3.27Å; K27-D30 VanDerWaalsContact O-N 3.09Å; E28-D30 VanDerWaalsContact C-N 3.31Å; E28-D30 PolarHBondContact O-N 3.05Å; D30-D32 PolarHBondContact O-N 3.27Å; D30-F33 HydrophobicContact CB-CB 4.17Å; D30-F33 WeakPolarHBondContact O-CB 3.48Å; D30-F33 PolarHBondContact O-N 2.86Å
31	E	81.9	Confident	90.5	Very high	202 Å²	202	79.5 Å²	79.5	94%	0.944	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-28.7	-177.2	-69.1	-174.8	174.8	0	0	113.6	D29 F33	D29-E31 PolarHBondContact O-N 3.06Å; E31-F33 VanDerWaalsContact C-N 3.34Å
32	D	82.7	Confident	90.5	Very high	160 Å²	160	78.9 Å²	78.9	86%	0.856	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	10.5	179	-67.4	-37.2	0	0	0	113.4	D30 N34	D30-D32 PolarHBondContact O-N 3.27Å; D32-N34 PolarHBondContact O-N 3.46Å; D32-N34 VanDerWaalsContact O-N 3.08Å
33	F	87.3	Confident	90.5	Very high	47 Å²	47	74.8 Å²	74.8	21%	0.206	38%	0.384	C	S	.	.			trans	-69.7	107.8	-176.1	-177.9	-115.1	0	0	0	112.3	W23 A24 K27 D30 E31 I35 H38	W23-F33 AromaticContact CH2-CE2 3.96Å; W23-F33 HydrophobicContact CH2-CE2 3.96Å; W23-F33 AromaticContact CZ3-CE2 3.93Å; W23-F33 HydrophobicContact CZ3-CE2 3.93Å; W23-F33 HydrophobicContact CZ3-CZ 4.3Å; A24-F33 HydrophobicContact CB-CE1 4.33Å; A24-F33 HydrophobicContact CB-CZ 3.76Å; K27-F33 HydrophobicContact CB-CD2 3.52Å; K27-F33 HydrophobicContact CB-CE2 3.46Å; K27-F33 VanDerWaalsContact CB-CE2 3.46Å; K27-F33 HydrophobicContact CB-CG 4.17Å; K27-F33 HydrophobicContact CB-CZ 4.06Å; K27-F33 HydrophobicContact CG-CD2 4.47Å; K27-F33 HydrophobicContact CG-CE2 4.25Å; K27-F33 WeakPolarHBondContact O-CB 3.31Å; K27-F33 WeakPolarHBondContact O-CG 3.21Å; D30-F33 HydrophobicContact CB-CB 4.17Å; D30-F33 WeakPolarHBondContact O-CB 3.48Å; D30-F33 PolarHBondContact O-N 2.86Å; E31-F33 VanDerWaalsContact C-N 3.34Å; F33-I35 HydrophobicContact CD1-CB 4.5Å; F33-I35 HydrophobicContact CE1-CB 3.69Å; F33-I35 HydrophobicContact CE1-CG1 4.21Å; F33-I35 HydrophobicContact CZ-CB 3.91Å; F33-I35 HydrophobicContact CZ-CG1 4.13Å; F33-H38 AromaticContact CD2-CD2 3.59Å; F33-H38 AromaticContact CD2-NE2 3.96Å; F33-H38 AromaticContact CE2-CD2 3.5Å; F33-H38 VanDerWaalsContact CE2-CD2 3.5Å; F33-H38 WeakPolarHBondContact CE2-CD2 3.45Å
34	N	91.9	Very high	90.4	Very high	77 Å²	77	72.3 Å²	72.3	41%	0.412	38%	0.378	S	S	.	.			trans	-104.9	96.3	170	-173.1	-28.8	0	0	0	110.4	D32 V36 A37 H38	D32-N34 PolarHBondContact O-N 3.46Å; D32-N34 VanDerWaalsContact O-N 3.08Å; N34-V36 PolarHBondContact O-N 2.72Å; N34-V36 WeakPolarHBondContact OD1-CB 3.49Å; N34-V36 PolarHBondContact OD1-N 3.28Å; N34-A37 HydrophobicContact CB-CB 3.92Å; N34-A37 PolarHBondContact O-N 3.37Å; N34-A37 VanDerWaalsContact O-N 3.15Å; N34-A37 PolarHBondContact OD1-N 3.46Å; N34-H38 PolarHBondContact O-CD2 3.48Å; N34-H38 VanDerWaalsContact O-CD2 3.28Å; N34-H38 PolarHBondContact O-N 3.44Å
35	I	94.1	Very high	90.4	Very high	53 Å²	53	79 Å²	79	27%	0.272	41%	0.406	S	S	.	.	H	α-helix	trans	-52.8	-38	179	-169.7	170.8	0	0	0	112.8	F20 A24 F33 F39 Y65	F20-I35 HydrophobicContact CE1-CD1 4.31Å; F20-I35 HydrophobicContact CE1-CG1 3.91Å; F20-I35 HydrophobicContact CZ-CG1 4.07Å; A24-I35 HydrophobicContact CB-CD1 4.17Å; A24-I35 HydrophobicContact CB-CG1 4.41Å; F33-I35 HydrophobicContact CD1-CB 4.5Å; F33-I35 HydrophobicContact CE1-CB 3.69Å; F33-I35 HydrophobicContact CE1-CG1 4.21Å; F33-I35 HydrophobicContact CZ-CB 3.91Å; F33-I35 HydrophobicContact CZ-CG1 4.13Å; I35-F39 VanDerWaalsContact O-CB 3.22Å; I35-F39 WeakPolarHBondContact O-CB 3.45Å; I35-F39 PolarHBondContact O-N 3.32Å; I35-Y65 HydrophobicContact CD1-CD1 3.97Å; I35-Y65 HydrophobicContact CD1-CD2 4.4Å; I35-Y65 HydrophobicContact CD1-CE1 4.34Å; I35-Y65 HydrophobicContact CD1-CG 4.01Å; I35-Y65 HydrophobicContact CG1-CD2 4.37Å; I35-Y65 HydrophobicContact CG1-CG 4.29Å
36	V	95.7	Very high	90.4	Very high	15 Å²	15	77.8 Å²	77.8	9%	0.091	40%	0.399	C	S	.	.	H	α-helix	trans	-68.9	-45.4	-179	178.8	0	0	0	0	110.7	N34 H38 F39 L40 I61 L68	N34-V36 PolarHBondContact O-N 2.72Å; N34-V36 WeakPolarHBondContact OD1-CB 3.49Å; N34-V36 PolarHBondContact OD1-N 3.28Å; V36-H38 VanDerWaalsContact C-N 3.34Å; V36-H38 PolarHBondContact O-N 2.94Å; V36-F39 PolarHBondContact O-N 3.23Å; V36-L40 HydrophobicContact CG1-CD1 3.98Å; V36-L40 HydrophobicContact CG1-CG 4.43Å; V36-L40 WeakPolarHBondContact O-CG 3.19Å; V36-L40 PolarHBondContact O-N 3.43Å; V36-I61 HydrophobicContact CG1-CD1 4.11Å; V36-L68 HydrophobicContact CG1-CD1 3.71Å
37	A	94.5	Very high	90.6	Very high	32 Å²	32	73.2 Å²	73.2	26%	0.264	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-44	178.2	0	0	0	0	0	111.4	N34 T41 I61	N34-A37 HydrophobicContact CB-CB 3.92Å; N34-A37 PolarHBondContact O-N 3.37Å; N34-A37 VanDerWaalsContact O-N 3.15Å; N34-A37 PolarHBondContact OD1-N 3.46Å; A37-T41 WeakPolarHBondContact O-CB 3.34Å; A37-T41 PolarHBondContact O-N 3.14Å; A37-T41 VanDerWaalsContact O-N 3.13Å; A37-T41 PolarHBondContact O-OG1 2.89Å; A37-I61 HydrophobicContact CB-CD1 4.06Å
38	H	94	Very high	90.9	Very high	66 Å²	66	74.1 Å²	74.1	31%	0.306	37%	0.373	S	S	.	.	H	α-helix	trans	-64.8	-44.8	175.7	-76.2	-62.8	0	0	0	112	W23 F33 N34 V36 L40 T41 F42	W23-H38 HydrophobicContact CH2-CB 3.65Å; W23-H38 AromaticContact CH2-CD2 3.94Å; W23-H38 AromaticContact CH2-CG 3.47Å; W23-H38 VanDerWaalsContact CH2-CG 3.47Å; W23-H38 AromaticContact CH2-ND1 3.61Å; W23-H38 HydrophobicContact CZ3-CB 3.64Å; W23-H38 AromaticContact CZ3-CG 3.98Å; F33-H38 AromaticContact CD2-CD2 3.59Å; F33-H38 AromaticContact CD2-NE2 3.96Å; F33-H38 AromaticContact CE2-CD2 3.5Å; F33-H38 VanDerWaalsContact CE2-CD2 3.5Å; F33-H38 WeakPolarHBondContact CE2-CD2 3.45Å; N34-H38 PolarHBondContact O-CD2 3.48Å; N34-H38 VanDerWaalsContact O-CD2 3.28Å; N34-H38 PolarHBondContact O-N 3.44Å; V36-H38 VanDerWaalsContact C-N 3.34Å; V36-H38 PolarHBondContact O-N 2.94Å; H38-L40 PolarHBondContact O-N 2.78Å; H38-T41 WeakPolarHBondContact O-CB 3.24Å; H38-T41 PolarHBondContact O-N 3.47Å; H38-T41 VanDerWaalsContact O-N 3.1Å; H38-F42 HydrophobicContact CB-CD2 4.23Å; H38-F42 HydrophobicContact CB-CE2 4.06Å; H38-F42 AromaticContact ND1-CE2 4Å; H38-F42 WeakPolarHBondContact O-CD2 3.46Å; H38-F42 PolarHBondContact O-N 2.85Å
39	F	95.9	Very high	91.6	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-55.5	-53.7	176.9	-176.2	-112.9	0	0	0	111.6	Y16 M17 F20 I35 V36 T41 F42 I43 I51 Y65 L68 L72	Y16-F39 HydrophobicContact CE1-CE2 4.44Å; M17-F39 HydrophobicContact CE-CE2 3.92Å; M17-F39 HydrophobicContact CE-CZ 3.76Å; M17-F39 HydrophobicContact SD-CE2 3.79Å; M17-F39 HydrophobicContact SD-CZ 4.11Å; F20-F39 AromaticContact CD1-CD2 3.7Å; F20-F39 HydrophobicContact CD1-CD2 3.7Å; F20-F39 HydrophobicContact CD1-CE2 4.27Å; F20-F39 HydrophobicContact CD2-CD2 4.18Å; F20-F39 HydrophobicContact CE1-CB 3.91Å; F20-F39 AromaticContact CE1-CD2 3.55Å; F20-F39 HydrophobicContact CE1-CD2 3.55Å; F20-F39 HydrophobicContact CE1-CE2 4.48Å; F20-F39 HydrophobicContact CE1-CG 4.14Å; F20-F39 HydrophobicContact CE2-CB 4.09Å; F20-F39 HydrophobicContact CE2-CD2 4.05Å; F20-F39 HydrophobicContact CG-CD2 4.03Å; F20-F39 VanDerWaalsContact CZ-CA 3.48Å; F20-F39 HydrophobicContact CZ-CB 3.47Å; F20-F39 VanDerWaalsContact CZ-CB 3.47Å; F20-F39 AromaticContact CZ-CD2 3.75Å; F20-F39 HydrophobicContact CZ-CD2 3.75Å; F20-F39 HydrophobicContact CZ-CG 4.1Å; I35-F39 VanDerWaalsContact O-CB 3.22Å; I35-F39 WeakPolarHBondContact O-CB 3.45Å; I35-F39 PolarHBondContact O-N 3.32Å; V36-F39 PolarHBondContact O-N 3.23Å; F39-T41 PolarHBondContact O-N 3.16Å; F39-T41 VanDerWaalsContact O-N 3.15Å; F39-F42 PolarHBondContact O-N 2.8Å; F39-F42 VanDerWaalsContact O-N 3.1Å; F39-I43 HydrophobicContact CD1-CG2 4.16Å; F39-I43 HydrophobicContact CD2-CG2 3.78Å; F39-I43 HydrophobicContact CE1-CG2 3.87Å; F39-I43 HydrophobicContact CE2-CG2 3.48Å; F39-I43 VanDerWaalsContact CE2-CG2 3.48Å; F39-I43 HydrophobicContact CG-CG2 4.13Å; F39-I43 HydrophobicContact CZ-CG2 3.55Å; F39-I43 WeakPolarHBondContact O-CG1 3.24Å; F39-I43 VanDerWaalsContact O-CG2 3.31Å; F39-I43 WeakPolarHBondContact O-CG2 3.23Å; F39-I43 PolarHBondContact O-N 3.27Å; F39-I51 HydrophobicContact CE1-CD1 4.09Å; F39-Y65 HydrophobicContact CB-CD2 4.27Å; F39-Y65 HydrophobicContact CD1-CD2 4.28Å; F39-Y65 HydrophobicContact CD1-CE2 4.44Å; F39-Y65 HydrophobicContact CD2-CD2 4.19Å; F39-Y65 AromaticContact CD2-CE2 3.67Å; F39-Y65 HydrophobicContact CD2-CE2 3.67Å; F39-Y65 AromaticContact CE2-CE2 3.84Å; F39-Y65 HydrophobicContact CE2-CE2 3.84Å; F39-Y65 AromaticContact CG-CD2 3.99Å; F39-Y65 HydrophobicContact CG-CD2 3.99Å; F39-Y65 AromaticContact CG-CE2 3.96Å; F39-Y65 HydrophobicContact CG-CE2 3.96Å; F39-Y65 HydrophobicContact CZ-CE2 4.29Å; F39-L68 HydrophobicContact CD1-CB 4.23Å; F39-L68 HydrophobicContact CD1-CD1 4.13Å; F39-L68 HydrophobicContact CE1-CB 3.9Å; F39-L72 HydrophobicContact CE1-CD1 4.19Å; F39-L72 HydrophobicContact CZ-CD1 3.87Å
40	L	95.4	Very high	92.1	Very high	22 Å²	22	63 Å²	63	12%	0.115	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-25.5	179.1	-66.1	172.7	0	0	0	113.1	V36 H38 I43 Y48 I51 P60 I61 L68	V36-L40 HydrophobicContact CG1-CD1 3.98Å; V36-L40 HydrophobicContact CG1-CG 4.43Å; V36-L40 WeakPolarHBondContact O-CG 3.19Å; V36-L40 PolarHBondContact O-N 3.43Å; H38-L40 PolarHBondContact O-N 2.78Å; L40-I43 HydrophobicContact CD2-CD1 4.15Å; L40-Y48 HydrophobicContact CB-CD2 4.26Å; L40-Y48 HydrophobicContact CB-CE2 4.37Å; L40-Y48 HydrophobicContact CD2-CD2 3.92Å; L40-Y48 HydrophobicContact CD2-CE2 4.14Å; L40-I51 HydrophobicContact CD2-CD1 4.3Å; L40-I51 HydrophobicContact CD2-CG2 4.17Å; L40-P60 HydrophobicContact CD1-CB 3.89Å; L40-P60 HydrophobicContact CD2-CB 3.86Å; L40-I61 HydrophobicContact CD1-CB 4.23Å; L40-I61 HydrophobicContact CD1-CD1 4.05Å; L40-L68 HydrophobicContact CD2-CD1 3.99Å; L40-L68 HydrophobicContact CG-CD1 4.25Å
41	T	93.1	Very high	92.6	Very high	107 Å²	107	59.3 Å²	59.3	66%	0.656	30%	0.302	S	S	*	.	H	α-helix	trans	-78.3	-38.5	175.9	-57.1	0	0	0	0	112.2	A37 H38 F39	A37-T41 WeakPolarHBondContact O-CB 3.34Å; A37-T41 PolarHBondContact O-N 3.14Å; A37-T41 VanDerWaalsContact O-N 3.13Å; A37-T41 PolarHBondContact O-OG1 2.89Å; H38-T41 WeakPolarHBondContact O-CB 3.24Å; H38-T41 PolarHBondContact O-N 3.47Å; H38-T41 VanDerWaalsContact O-N 3.1Å; F39-T41 PolarHBondContact O-N 3.16Å; F39-T41 VanDerWaalsContact O-N 3.15Å
42	F	94.1	Very high	93.2	Very high	52 Å²	52	54.9 Å²	54.9	23%	0.228	28%	0.28	C	S	.	.	H	α-helix	trans	-85.8	-32.4	-174.4	-71.7	-58	0	0	0	114.8	M1 Y16 F20 W23 H38 F39 G44	M1-F42 HydrophobicContact CB-CD1 3.87Å; M1-F42 HydrophobicContact CB-CE1 4.37Å; M1-F42 HydrophobicContact CB-CG 4.3Å; M1-F42 HydrophobicContact SD-CB 4.35Å; M1-F42 HydrophobicContact SD-CG 4.45Å; Y16-F42 VanDerWaalsContact OH-C 3.3Å; Y16-F42 PolarHBondContact OH-O 3.44Å; F20-F42 HydrophobicContact CD2-CD2 4.48Å; F20-F42 HydrophobicContact CE2-CD2 4.02Å; W23-F42 HydrophobicContact CD2-CE2 4.26Å; W23-F42 AromaticContact CE2-CE2 3.92Å; W23-F42 HydrophobicContact CE3-CD2 4.4Å; W23-F42 HydrophobicContact CE3-CE2 4.1Å; W23-F42 HydrophobicContact CH2-CD2 4.29Å; W23-F42 AromaticContact CH2-CE2 3.39Å; W23-F42 HydrophobicContact CH2-CE2 3.39Å; W23-F42 HydrophobicContact CH2-CZ 4.16Å; W23-F42 AromaticContact CZ2-CE2 3.48Å; W23-F42 HydrophobicContact CZ2-CE2 3.48Å; W23-F42 VanDerWaalsContact CZ2-CE2 3.48Å; W23-F42 AromaticContact CZ2-CZ 3.79Å; W23-F42 HydrophobicContact CZ2-CZ 3.79Å; W23-F42 HydrophobicContact CZ3-CD2 4.15Å; W23-F42 AromaticContact CZ3-CE2 3.68Å; W23-F42 HydrophobicContact CZ3-CE2 3.68Å; H38-F42 HydrophobicContact CB-CD2 4.23Å; H38-F42 HydrophobicContact CB-CE2 4.06Å; H38-F42 AromaticContact ND1-CE2 4Å; H38-F42 WeakPolarHBondContact O-CD2 3.46Å; H38-F42 PolarHBondContact O-N 2.85Å; F39-F42 PolarHBondContact O-N 2.8Å; F39-F42 VanDerWaalsContact O-N 3.1Å; F42-G44 PolarHBondContact O-N 2.96Å
43	I	94.2	Very high	93.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-57.8	-22.1	-175.9	57.1	173.5	0	0	0	114.3	L4 Y16 F39 L40 A47 I51	L4-I43 WeakPolarHBondContact CB-O 3.44Å; L4-I43 PolarHBondContact N-O 3.22Å; Y16-I43 HydrophobicContact CE1-CG2 4.12Å; Y16-I43 VanDerWaalsContact OH-CA 3.27Å; Y16-I43 WeakPolarHBondContact OH-CA 3.46Å; Y16-I43 PolarHBondContact OH-N 2.91Å; F39-I43 HydrophobicContact CD1-CG2 4.16Å; F39-I43 HydrophobicContact CD2-CG2 3.78Å; F39-I43 HydrophobicContact CE1-CG2 3.87Å; F39-I43 HydrophobicContact CE2-CG2 3.48Å; F39-I43 VanDerWaalsContact CE2-CG2 3.48Å; F39-I43 HydrophobicContact CG-CG2 4.13Å; F39-I43 HydrophobicContact CZ-CG2 3.55Å; F39-I43 WeakPolarHBondContact O-CG1 3.24Å; F39-I43 VanDerWaalsContact O-CG2 3.31Å; F39-I43 WeakPolarHBondContact O-CG2 3.23Å; F39-I43 PolarHBondContact O-N 3.27Å; L40-I43 HydrophobicContact CD2-CD1 4.15Å; I43-A47 HydrophobicContact CB-CB 3.85Å; I43-A47 HydrophobicContact CD1-CB 4.1Å; I43-A47 HydrophobicContact CG1-CB 4.17Å; I43-I51 HydrophobicContact CD1-CD1 3.56Å
44	G	92.9	Very high	94	Very high	10 Å²	10	53 Å²	53	10%	0.103	27%	0.27	C	S	.	.			trans	88.3	169.4	-178.8	0	0	0	0	0	113.7	F42 E46 Y48	F42-G44 PolarHBondContact O-N 2.96Å; G44-E46 PolarHBondContact O-N 2.95Å; G44-Y48 VanDerWaalsContact O-CB 3.29Å; G44-Y48 WeakPolarHBondContact O-CB 3.39Å; G44-Y48 PolarHBondContact O-N 3.23Å
45	K	92.9	Very high	94	Very high	149 Å²	149	49.5 Å²	49.5	65%	0.648	25%	0.252	S	S	*	.	H	α-helix	trans	-64.5	-40.8	-167.7	-173.9	-174.7	175.7	-169.6	0	113.4	S49	K45-S49 WeakPolarHBondContact O-CB 3.32Å; K45-S49 PolarHBondContact O-N 3.37Å; K45-S49 PolarHBondContact O-OG 3.13Å
46	E	91	Very high	93.9	Very high	92 Å²	92	52.6 Å²	52.6	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-67.8	-53.4	-177.1	-69.5	172.7	-154.8	0	0	111.1	I6 G44 Y48 S49 L50	I6-E46 HydrophobicContact CD1-CB 4.09Å; I6-E46 HydrophobicContact CG1-CB 4.39Å; G44-E46 PolarHBondContact O-N 2.95Å; E46-Y48 VanDerWaalsContact C-N 3.31Å; E46-Y48 PolarHBondContact O-N 3.33Å; E46-S49 WeakPolarHBondContact O-CB 3.18Å; E46-S49 PolarHBondContact O-N 3.44Å; E46-S49 VanDerWaalsContact O-N 3.11Å; E46-L50 PolarHBondContact O-N 3.44Å
47	A	94.1	Very high	93.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.5	-41.9	174.8	0	0	0	0	0	112.6	L4 I6 I43 L50 I51 L72	L4-A47 HydrophobicContact CB-CB 4.36Å; L4-A47 HydrophobicContact CD2-CB 4.07Å; I6-A47 HydrophobicContact CG2-CB 3.67Å; I43-A47 HydrophobicContact CB-CB 3.85Å; I43-A47 HydrophobicContact CD1-CB 4.1Å; I43-A47 HydrophobicContact CG1-CB 4.17Å; A47-L50 PolarHBondContact O-N 3.3Å; A47-I51 PolarHBondContact O-N 3.19Å; A47-L72 HydrophobicContact CB-CD2 4.5Å
48	Y	95.8	Very high	93.5	Very high	93 Å²	93	60.4 Å²	60.4	37%	0.365	31%	0.312	S	S	.	.	H	α-helix	trans	-64	-40.6	175.6	178.5	-100.4	0	0	0	112.5	L40 G44 E46 L50 I51 K52 P60	L40-Y48 HydrophobicContact CB-CD2 4.26Å; L40-Y48 HydrophobicContact CB-CE2 4.37Å; L40-Y48 HydrophobicContact CD2-CD2 3.92Å; L40-Y48 HydrophobicContact CD2-CE2 4.14Å; G44-Y48 VanDerWaalsContact O-CB 3.29Å; G44-Y48 WeakPolarHBondContact O-CB 3.39Å; G44-Y48 PolarHBondContact O-N 3.23Å; E46-Y48 VanDerWaalsContact C-N 3.31Å; E46-Y48 PolarHBondContact O-N 3.33Å; Y48-L50 VanDerWaalsContact C-N 3.33Å; Y48-I51 PolarHBondContact O-N 3.34Å; Y48-K52 WeakPolarHBondContact O-CB 3.46Å; Y48-K52 PolarHBondContact O-N 3.4Å; Y48-P60 HydrophobicContact CE2-CB 4.36Å; Y48-P60 HydrophobicContact CE2-CG 4.44Å
49	S	93.6	Very high	93.4	Very high	50 Å²	50	64.6 Å²	64.6	35%	0.35	33%	0.329	S	S	.	.	H	α-helix	trans	-64.5	-40	177.6	-58.8	0	0	0	0	111.3	K45 E46 K52 I53	K45-S49 WeakPolarHBondContact O-CB 3.32Å; K45-S49 PolarHBondContact O-N 3.37Å; K45-S49 PolarHBondContact O-OG 3.13Å; E46-S49 WeakPolarHBondContact O-CB 3.18Å; E46-S49 PolarHBondContact O-N 3.44Å; E46-S49 VanDerWaalsContact O-N 3.11Å; S49-K52 PolarHBondContact O-N 3.25Å; S49-I53 WeakPolarHBondContact O-CG1 3.44Å; S49-I53 PolarHBondContact O-N 3.31Å
50	L	93.9	Very high	93.3	Very high	19 Å²	19	65 Å²	65	10%	0.099	33%	0.333	C	S	.	.	H	α-helix	trans	-62.9	-50.6	173.6	176.9	63	0	0	0	111.5	I6 E46 A47 Y48 K52 I53 L54 L72 H75	I6-L50 HydrophobicContact CD1-CD2 4.29Å; I6-L50 HydrophobicContact CG2-CD2 4.36Å; E46-L50 PolarHBondContact O-N 3.44Å; A47-L50 PolarHBondContact O-N 3.3Å; Y48-L50 VanDerWaalsContact C-N 3.33Å; L50-K52 PolarHBondContact O-N 3.34Å; L50-I53 WeakPolarHBondContact O-CB 3.23Å; L50-I53 PolarHBondContact O-N 2.88Å; L50-L54 HydrophobicContact CD1-CD1 3.84Å; L50-L54 HydrophobicContact CD1-CD2 4.41Å; L50-L54 HydrophobicContact CD1-CG 3.94Å; L50-L54 HydrophobicContact CD2-CD1 4.31Å; L50-L54 HydrophobicContact CG-CD1 3.73Å; L50-L54 HydrophobicContact CG-CG 4.2Å; L50-L54 WeakPolarHBondContact O-CG 3.11Å; L50-L54 PolarHBondContact O-N 3.11Å; L50-L72 HydrophobicContact CD2-CD2 3.84Å; L50-L72 HydrophobicContact CG-CD2 4.41Å; L50-H75 HydrophobicContact CD2-CB 4.04Å; L50-H75 WeakPolarHBondContact CD2-ND1 2.99Å
51	I	95.5	Very high	93.3	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-55.3	-41.8	175.3	-81.6	167.6	0	0	0	111.1	F39 L40 I43 A47 Y48 I53 L54 A55 P60 L68 L72	F39-I51 HydrophobicContact CE1-CD1 4.09Å; L40-I51 HydrophobicContact CD2-CD1 4.3Å; L40-I51 HydrophobicContact CD2-CG2 4.17Å; I43-I51 HydrophobicContact CD1-CD1 3.56Å; A47-I51 PolarHBondContact O-N 3.19Å; Y48-I51 PolarHBondContact O-N 3.34Å; I51-I53 PolarHBondContact O-N 3.34Å; I51-L54 PolarHBondContact O-N 3.1Å; I51-A55 HydrophobicContact CG2-CB 4.47Å; I51-A55 WeakPolarHBondContact O-CB 3.26Å; I51-A55 PolarHBondContact O-N 3.48Å; I51-P60 HydrophobicContact CG2-CB 3.61Å; I51-P60 HydrophobicContact CG2-CG 3.76Å; I51-L68 HydrophobicContact CG2-CD2 3.68Å; I51-L72 HydrophobicContact CD1-CD1 3.64Å; I51-L72 HydrophobicContact CD1-CD2 4.05Å; I51-L72 HydrophobicContact CD1-CG 3.78Å; I51-L72 HydrophobicContact CG1-CD1 4.28Å; I51-L72 HydrophobicContact CG1-CD2 3.81Å; I51-L72 HydrophobicContact CG1-CG 3.85Å
52	K	94.4	Very high	93.3	Very high	108 Å²	108	66.9 Å²	66.9	47%	0.47	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-29.5	178.9	-171.1	179.9	177.4	-174.9	0	112.7	Y48 S49 L50 L56 P60	Y48-K52 WeakPolarHBondContact O-CB 3.46Å; Y48-K52 PolarHBondContact O-N 3.4Å; S49-K52 PolarHBondContact O-N 3.25Å; L50-K52 PolarHBondContact O-N 3.34Å; K52-L56 WeakPolarHBondContact O-CG 3.34Å; K52-P60 HydrophobicContact CB-CG 4.36Å
53	I	93.9	Very high	93.4	Very high	113 Å²	113	65.6 Å²	65.6	58%	0.579	34%	0.339	S	S	*	.	H	α-helix	trans	-79.9	-46	175.1	-64.6	165.6	0	0	0	110.2	S49 L50 I51	S49-I53 WeakPolarHBondContact O-CG1 3.44Å; S49-I53 PolarHBondContact O-N 3.31Å; L50-I53 WeakPolarHBondContact O-CB 3.23Å; L50-I53 PolarHBondContact O-N 2.88Å; I51-I53 PolarHBondContact O-N 3.34Å
54	L	93	Very high	93.4	Very high	54 Å²	54	69.3 Å²	69.3	28%	0.283	36%	0.363	S	S	.	.	H	α-helix	trans	-71	-29.7	-176.2	-64.3	179.2	0	0	0	113.5	L50 I51 L56 L71 H75	L50-L54 HydrophobicContact CD1-CD1 3.84Å; L50-L54 HydrophobicContact CD1-CD2 4.41Å; L50-L54 HydrophobicContact CD1-CG 3.94Å; L50-L54 HydrophobicContact CD2-CD1 4.31Å; L50-L54 HydrophobicContact CG-CD1 3.73Å; L50-L54 HydrophobicContact CG-CG 4.2Å; L50-L54 WeakPolarHBondContact O-CG 3.11Å; L50-L54 PolarHBondContact O-N 3.11Å; I51-L54 PolarHBondContact O-N 3.1Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-L71 HydrophobicContact CB-CB 4.42Å; L54-L71 HydrophobicContact CB-CD1 4.28Å; L54-L71 HydrophobicContact CB-CD2 4.26Å; L54-L71 HydrophobicContact CD1-CB 4.2Å; L54-L71 WeakPolarHBondContact CD1-O 3.21Å; L54-H75 HydrophobicContact CD1-CB 4.33Å
55	A	93	Very high	93.6	Very high	5 Å²	5	70.4 Å²	70.4	4%	0.041	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.6	-177.6	0	0	0	0	0	114.2	I51 D58 P60 L63 L71	I51-A55 HydrophobicContact CG2-CB 4.47Å; I51-A55 WeakPolarHBondContact O-CB 3.26Å; I51-A55 PolarHBondContact O-N 3.48Å; A55-D58 CarbonylContact O-C 3.6Å; A55-D58 WeakPolarHBondContact O-CA 3.2Å; A55-D58 WeakPolarHBondContact O-CB 3.26Å; A55-D58 PolarHBondContact O-N 3.22Å; A55-P60 HydrophobicContact CB-CG 4.37Å; A55-L63 HydrophobicContact CB-CD1 3.5Å; A55-L71 HydrophobicContact CB-CD1 4.43Å
56	L	90.4	Very high	93.7	Very high	118 Å²	118	66.6 Å²	66.6	62%	0.618	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	137.3	-177	-66.9	173.9	0	0	0	111.3	K52 L54	K52-L56 WeakPolarHBondContact O-CG 3.34Å; L54-L56 VanDerWaalsContact C-N 3.34Å
57	P	90.9	Very high	93.9	Very high	123 Å²	123	65 Å²	65	80%	0.799	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.8	-5.1	11.2	35.7	-36.9	0	0	0	115.1
58	D	91.8	Very high	94	Very high	87 Å²	87	65 Å²	65	47%	0.465	36%	0.357	S	S	.	.	S	Bend	trans	-74	158.4	-175.9	-63.7	-41.4	0	0	0	111.9	A55 L63	A55-D58 CarbonylContact O-C 3.6Å; A55-D58 WeakPolarHBondContact O-CA 3.2Å; A55-D58 WeakPolarHBondContact O-CB 3.26Å; A55-D58 PolarHBondContact O-N 3.22Å; D58-L63 HydrophobicContact CB-CD2 4.03Å; D58-L63 HydrophobicContact CB-CG 4.34Å
59	K	92.1	Very high	94	Very high	154 Å²	154	63.4 Å²	63.4	67%	0.67	35%	0.352	S	S	*	.			trans	-81.7	140.5	171.8	-67.5	180	-178.7	175.5	0	108.3	I61 S62	K59-I61 HydrophobicContact CB-CG2 4.12Å; K59-I61 PolarHBondContact O-N 2.62Å; K59-S62 PolarHBondContact N-OG 3.47Å; K59-S62 PolarHBondContact O-N 2.87Å; K59-S62 PolarHBondContact O-OG 2.98Å
60	P	93.7	Very high	94.1	Very high	10 Å²	10	65.4 Å²	65.4	7%	0.065	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-51.4	-37.8	177.8	-32.3	38.2	0	0	0	114.1	L40 Y48 I51 K52 A55 S62 L63	L40-P60 HydrophobicContact CD1-CB 3.89Å; L40-P60 HydrophobicContact CD2-CB 3.86Å; Y48-P60 HydrophobicContact CE2-CB 4.36Å; Y48-P60 HydrophobicContact CE2-CG 4.44Å; I51-P60 HydrophobicContact CG2-CB 3.61Å; I51-P60 HydrophobicContact CG2-CG 3.76Å; K52-P60 HydrophobicContact CB-CG 4.36Å; A55-P60 HydrophobicContact CB-CG 4.37Å; P60-S62 VanDerWaalsContact C-N 3.26Å; P60-S62 PolarHBondContact O-N 3.32Å; P60-L63 PolarHBondContact O-N 3.05Å
61	I	94.4	Very high	94.1	Very high	91 Å²	91	66.3 Å²	66.3	47%	0.467	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-68.5	-18.8	-179.6	-165.1	60.3	0	0	0	114	V36 A37 L40 K59	V36-I61 HydrophobicContact CG1-CD1 4.11Å; A37-I61 HydrophobicContact CB-CD1 4.06Å; L40-I61 HydrophobicContact CD1-CB 4.23Å; L40-I61 HydrophobicContact CD1-CD1 4.05Å; K59-I61 HydrophobicContact CB-CG2 4.12Å; K59-I61 PolarHBondContact O-N 2.62Å
62	S	94.4	Very high	94.1	Very high	77 Å²	77	66.4 Å²	66.4	54%	0.538	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-90.1	-9.1	178.1	55.9	0	0	0	0	113.5	K59 P60	K59-S62 PolarHBondContact N-OG 3.47Å; K59-S62 PolarHBondContact O-N 2.87Å; K59-S62 PolarHBondContact O-OG 2.98Å; P60-S62 VanDerWaalsContact C-N 3.26Å; P60-S62 PolarHBondContact O-N 3.32Å
63	L	94.6	Very high	94	Very high	24 Å²	24	63 Å²	63	13%	0.126	35%	0.348	C	S	.	.	S	Bend	trans	-88.1	142.9	179.8	-65.1	179.4	0	0	0	111.2	A55 D58 P60 T67 L68 L71	A55-L63 HydrophobicContact CB-CD1 3.5Å; D58-L63 HydrophobicContact CB-CD2 4.03Å; D58-L63 HydrophobicContact CB-CG 4.34Å; P60-L63 PolarHBondContact O-N 3.05Å; L63-T67 HydrophobicContact CD1-CG2 4.35Å; L63-T67 HydrophobicContact CD2-CG2 4.49Å; L63-L68 HydrophobicContact CB-CD2 3.93Å; L63-L68 HydrophobicContact CB-CG 4.1Å; L63-L68 HydrophobicContact CD1-CD2 3.92Å; L63-L71 HydrophobicContact CD1-CD1 4.15Å
64	P	95.9	Very high	93.9	Very high	79 Å²	79	61.7 Å²	61.7	51%	0.513	34%	0.342	S	S	.	.			trans	-59.5	149	171.3	-21.7	32.5	0	0	0	111.9	A66 T67 L68	P64-A66 VanDerWaalsContact C-N 3.26Å; P64-A66 PolarHBondContact O-N 3.35Å; P64-T67 WeakPolarHBondContact O-CB 3.27Å; P64-T67 PolarHBondContact O-N 3.06Å; P64-L68 PolarHBondContact O-N 2.99Å; P64-L68 VanDerWaalsContact O-N 3.16Å
65	Y	95.5	Very high	93.7	Very high	32 Å²	32	60.5 Å²	60.5	13%	0.125	34%	0.335	C	S	.	.	H	α-helix	trans	-51.8	-43.9	176.9	167	-108.1	0	0	0	112.5	F20 E21 I35 F39 T67 L68 K69	F20-Y65 AromaticContact CD1-CE2 3.79Å; F20-Y65 HydrophobicContact CD1-CE2 3.79Å; F20-Y65 AromaticContact CD1-CZ 3.99Å; F20-Y65 HydrophobicContact CE1-CD2 4.11Å; F20-Y65 AromaticContact CE1-CE2 3.52Å; F20-Y65 HydrophobicContact CE1-CE2 3.52Å; E21-Y65 HydrophobicContact CG-CE1 4.41Å; E21-Y65 WeakPolarHBondContact CG-OH 3.3Å; E21-Y65 PolarHBondContact OE1-OH 3.33Å; I35-Y65 HydrophobicContact CD1-CD1 3.97Å; I35-Y65 HydrophobicContact CD1-CD2 4.4Å; I35-Y65 HydrophobicContact CD1-CE1 4.34Å; I35-Y65 HydrophobicContact CD1-CG 4.01Å; I35-Y65 HydrophobicContact CG1-CD2 4.37Å; I35-Y65 HydrophobicContact CG1-CG 4.29Å; F39-Y65 HydrophobicContact CB-CD2 4.27Å; F39-Y65 HydrophobicContact CD1-CD2 4.28Å; F39-Y65 HydrophobicContact CD1-CE2 4.44Å; F39-Y65 HydrophobicContact CD2-CD2 4.19Å; F39-Y65 AromaticContact CD2-CE2 3.67Å; F39-Y65 HydrophobicContact CD2-CE2 3.67Å; F39-Y65 AromaticContact CE2-CE2 3.84Å; F39-Y65 HydrophobicContact CE2-CE2 3.84Å; F39-Y65 AromaticContact CG-CD2 3.99Å; F39-Y65 HydrophobicContact CG-CD2 3.99Å; F39-Y65 AromaticContact CG-CE2 3.96Å; F39-Y65 HydrophobicContact CG-CE2 3.96Å; F39-Y65 HydrophobicContact CZ-CE2 4.29Å; Y65-T67 VanDerWaalsContact C-N 3.27Å; Y65-T67 PolarHBondContact O-N 3.16Å; Y65-L68 PolarHBondContact O-N 3.5Å; Y65-L68 VanDerWaalsContact O-N 3.13Å; Y65-K69 HydrophobicContact CE1-CD 4.34Å; Y65-K69 PolarHBondContact O-N 3.07Å
66	A	95.6	Very high	93.6	Very high	69 Å²	69	60.3 Å²	60.3	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-57.4	-39	178.2	0	0	0	0	0	112.7	P64 Q70	P64-A66 VanDerWaalsContact C-N 3.26Å; P64-A66 PolarHBondContact O-N 3.35Å; A66-Q70 WeakPolarHBondContact O-CB 3.25Å; A66-Q70 PolarHBondContact O-N 3.4Å
67	T	96.2	Very high	93.4	Very high	58 Å²	58	58.5 Å²	58.5	36%	0.356	32%	0.323	S	S	.	.	H	α-helix	trans	-68	-44.3	176.9	-52.8	0	0	0	0	111	L63 P64 Y65 Q70 L71	L63-T67 HydrophobicContact CD1-CG2 4.35Å; L63-T67 HydrophobicContact CD2-CG2 4.49Å; P64-T67 WeakPolarHBondContact O-CB 3.27Å; P64-T67 PolarHBondContact O-N 3.06Å; Y65-T67 VanDerWaalsContact C-N 3.27Å; Y65-T67 PolarHBondContact O-N 3.16Å; T67-Q70 PolarHBondContact O-N 2.84Å; T67-L71 HydrophobicContact CG2-CD1 4.49Å; T67-L71 WeakPolarHBondContact O-CG 3.41Å; T67-L71 PolarHBondContact O-N 2.94Å
68	L	96.2	Very high	93.1	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-41.7	177.8	-64.4	177.4	0	0	0	112.5	V36 F39 L40 I51 L63 P64 Y65 Q70 L71 L72	V36-L68 HydrophobicContact CG1-CD1 3.71Å; F39-L68 HydrophobicContact CD1-CB 4.23Å; F39-L68 HydrophobicContact CD1-CD1 4.13Å; F39-L68 HydrophobicContact CE1-CB 3.9Å; L40-L68 HydrophobicContact CD2-CD1 3.99Å; L40-L68 HydrophobicContact CG-CD1 4.25Å; I51-L68 HydrophobicContact CG2-CD2 3.68Å; L63-L68 HydrophobicContact CB-CD2 3.93Å; L63-L68 HydrophobicContact CB-CG 4.1Å; L63-L68 HydrophobicContact CD1-CD2 3.92Å; P64-L68 PolarHBondContact O-N 2.99Å; P64-L68 VanDerWaalsContact O-N 3.16Å; Y65-L68 PolarHBondContact O-N 3.5Å; Y65-L68 VanDerWaalsContact O-N 3.13Å; L68-Q70 VanDerWaalsContact C-N 3.34Å; L68-L71 PolarHBondContact O-N 3.39Å; L68-L72 PolarHBondContact O-N 3.26Å
69	K	95.2	Very high	92.5	Very high	60 Å²	60	53.3 Å²	53.3	26%	0.261	29%	0.287	S	S	.	.	H	α-helix	trans	-59.5	-45.6	174	-177.1	179.2	-178.2	176	0	110.9	M17 E21 Y65 L72 L73	M17-K69 HydrophobicContact SD-CG 4.16Å; E21-K69 IonicContact OE1-NZ 3.1Å; E21-K69 PolarHBondContact OE1-NZ 2.89Å; E21-K69 IonicContact OE2-NZ 2.68Å; E21-K69 PolarHBondContact OE2-NZ 3.38Å; Y65-K69 HydrophobicContact CE1-CD 4.34Å; Y65-K69 PolarHBondContact O-N 3.07Å; K69-L72 PolarHBondContact O-N 3.22Å; K69-L73 WeakPolarHBondContact O-CB 3.13Å; K69-L73 PolarHBondContact O-N 2.99Å
70	Q	95.2	Very high	91.4	Very high	92 Å²	92	49.4 Å²	49.4	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-65.1	-43.3	179.4	-167.2	63.5	43.8	0	0	112.4	A66 T67 L68 L72 L73 D74	A66-Q70 WeakPolarHBondContact O-CB 3.25Å; A66-Q70 PolarHBondContact O-N 3.4Å; T67-Q70 PolarHBondContact O-N 2.84Å; L68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-L72 VanDerWaalsContact C-N 3.29Å; Q70-L72 PolarHBondContact O-N 3.49Å; Q70-L73 WeakPolarHBondContact O-CB 3.08Å; Q70-L73 PolarHBondContact O-N 2.97Å; Q70-L73 VanDerWaalsContact O-N 3.13Å; Q70-D74 PolarHBondContact NE2-OD1 2.8Å; Q70-D74 WeakPolarHBondContact O-CB 3.33Å; Q70-D74 PolarHBondContact O-N 3.09Å
71	L	95	Very high	90.1	Very high	39 Å²	39	51.3 Å²	51.3	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-41.5	177.9	-72.6	175	0	0	0	112.2	L54 A55 L63 T67 L68 H75	L54-L71 HydrophobicContact CB-CB 4.42Å; L54-L71 HydrophobicContact CB-CD1 4.28Å; L54-L71 HydrophobicContact CB-CD2 4.26Å; L54-L71 HydrophobicContact CD1-CB 4.2Å; L54-L71 WeakPolarHBondContact CD1-O 3.21Å; A55-L71 HydrophobicContact CB-CD1 4.43Å; L63-L71 HydrophobicContact CD1-CD1 4.15Å; T67-L71 HydrophobicContact CG2-CD1 4.49Å; T67-L71 WeakPolarHBondContact O-CG 3.41Å; T67-L71 PolarHBondContact O-N 2.94Å; L68-L71 PolarHBondContact O-N 3.39Å; L71-H75 PolarHBondContact O-N 2.94Å
72	L	94.4	Very high	88.3	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-71.5	-40.2	175.5	-70.4	174.7	0	0	0	112.1	L4 F13 M17 F39 A47 L50 I51 L68 K69 Q70 H75 V76	L4-L72 HydrophobicContact CD2-CD1 3.82Å; F13-L72 HydrophobicContact CE2-CB 3.61Å; F13-L72 HydrophobicContact CE2-CD1 4.47Å; F13-L72 HydrophobicContact CZ-CB 3.95Å; M17-L72 HydrophobicContact CE-CD1 4.02Å; F39-L72 HydrophobicContact CE1-CD1 4.19Å; F39-L72 HydrophobicContact CZ-CD1 3.87Å; A47-L72 HydrophobicContact CB-CD2 4.5Å; L50-L72 HydrophobicContact CD2-CD2 3.84Å; L50-L72 HydrophobicContact CG-CD2 4.41Å; I51-L72 HydrophobicContact CD1-CD1 3.64Å; I51-L72 HydrophobicContact CD1-CD2 4.05Å; I51-L72 HydrophobicContact CD1-CG 3.78Å; I51-L72 HydrophobicContact CG1-CD1 4.28Å; I51-L72 HydrophobicContact CG1-CD2 3.81Å; I51-L72 HydrophobicContact CG1-CG 3.85Å; L68-L72 PolarHBondContact O-N 3.26Å; K69-L72 PolarHBondContact O-N 3.22Å; Q70-L72 VanDerWaalsContact C-N 3.29Å; Q70-L72 PolarHBondContact O-N 3.49Å; L72-H75 PolarHBondContact O-N 3.02Å; L72-V76 WeakPolarHBondContact O-CG2 3.48Å; L72-V76 PolarHBondContact O-N 3.43Å
73	L	93.2	Very high	86	Confident	37 Å²	37	53.2 Å²	53.2	19%	0.194	30%	0.298	C	S	.	.	H	α-helix	trans	-59.9	-46.6	177.3	175.3	59.9	0	0	0	111.4	F10 F13 K69 Q70 H75 V76 M77	F10-L73 HydrophobicContact CD2-CD1 4.05Å; F10-L73 HydrophobicContact CE2-CD1 3.5Å; F10-L73 VanDerWaalsContact CE2-CD1 3.5Å; F13-L73 HydrophobicContact CD1-CD1 4.15Å; F13-L73 HydrophobicContact CE1-CB 3.84Å; F13-L73 HydrophobicContact CE1-CD1 3.79Å; F13-L73 HydrophobicContact CE1-CG 4.39Å; F13-L73 HydrophobicContact CZ-CB 3.95Å; K69-L73 WeakPolarHBondContact O-CB 3.13Å; K69-L73 PolarHBondContact O-N 2.99Å; Q70-L73 WeakPolarHBondContact O-CB 3.08Å; Q70-L73 PolarHBondContact O-N 2.97Å; Q70-L73 VanDerWaalsContact O-N 3.13Å; L73-H75 VanDerWaalsContact C-N 3.27Å; L73-H75 PolarHBondContact O-N 2.71Å; L73-V76 PolarHBondContact O-N 3.4Å; L73-M77 HydrophobicContact CD1-CE 3.68Å; L73-M77 HydrophobicContact CD1-CG 4.11Å; L73-M77 HydrophobicContact CG-CG 4.47Å; L73-M77 WeakPolarHBondContact O-CB 3.43Å; L73-M77 WeakPolarHBondContact O-CG 3.23Å; L73-M77 PolarHBondContact O-N 3.32Å
74	D	91.1	Very high	83.4	Confident	85 Å²	85	55.3 Å²	55.3	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-58.8	-41.8	178.1	-68	-16.2	0	0	0	110.7	Q70 Y78	Q70-D74 PolarHBondContact NE2-OD1 2.8Å; Q70-D74 WeakPolarHBondContact O-CB 3.33Å; Q70-D74 PolarHBondContact O-N 3.09Å; D74-Y78 VanDerWaalsContact O-CB 3.23Å; D74-Y78 WeakPolarHBondContact O-CB 3.08Å; D74-Y78 PolarHBondContact O-N 3.39Å
75	H	89.5	Confident	80.9	Confident	28 Å²	28	61 Å²	61	13%	0.13	34%	0.342	C	S	.	.	H	α-helix	trans	-66	-43.2	175.7	-178	-86	0	0	0	112.8	L50 L54 L71 L72 L73 M77 Y78 T79	L50-H75 HydrophobicContact CD2-CB 4.04Å; L50-H75 WeakPolarHBondContact CD2-ND1 2.99Å; L54-H75 HydrophobicContact CD1-CB 4.33Å; L71-H75 PolarHBondContact O-N 2.94Å; L72-H75 PolarHBondContact O-N 3.02Å; L73-H75 VanDerWaalsContact C-N 3.27Å; L73-H75 PolarHBondContact O-N 2.71Å; H75-M77 VanDerWaalsContact C-N 3.35Å; H75-Y78 WeakPolarHBondContact O-CB 3.47Å; H75-Y78 PolarHBondContact O-N 3.04Å; H75-T79 WeakPolarHBondContact O-CG2 3.35Å; H75-T79 PolarHBondContact O-N 3.24Å; H75-T79 PolarHBondContact O-OG1 3Å
76	V	89.3	Confident	78	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.006	38%	0.381	C	S	.	.	H	α-helix	trans	-67.1	-37.1	178.2	171.8	0	0	0	0	111.3	F13 L72 L73 Y78 T79 N80	F13-V76 HydrophobicContact CB-CG1 4.07Å; F13-V76 HydrophobicContact CB-CG2 4.37Å; F13-V76 HydrophobicContact CD2-CG2 3.78Å; F13-V76 HydrophobicContact CE2-CG2 4.29Å; F13-V76 HydrophobicContact CG-CB 4.48Å; F13-V76 HydrophobicContact CG-CG1 4.35Å; F13-V76 HydrophobicContact CG-CG2 4.12Å; L72-V76 WeakPolarHBondContact O-CG2 3.48Å; L72-V76 PolarHBondContact O-N 3.43Å; L73-V76 PolarHBondContact O-N 3.4Å; V76-Y78 VanDerWaalsContact C-N 3.35Å; V76-T79 PolarHBondContact O-OG1 3.3Å; V76-T79 VanDerWaalsContact O-OG1 3.1Å; V76-N80 VanDerWaalsContact CG1-ND2 3.34Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.28Å; V76-N80 WeakPolarHBondContact O-CB 3.36Å; V76-N80 PolarHBondContact O-N 3.14Å; V76-N80 VanDerWaalsContact O-N 3.13Å; V76-N80 PolarHBondContact O-ND2 3.41Å
77	M	87.7	Confident	74.9	Confident	81 Å²	81	69.9 Å²	69.9	40%	0.399	39%	0.388	S	S	.	.	H	α-helix	trans	-62.7	-46.3	173.1	-74.3	-64.2	165.2	0	0	111.1	F10 L73 H75 N80 S81	F10-M77 HydrophobicContact CD1-CE 4.09Å; F10-M77 HydrophobicContact CD2-CE 3.09Å; F10-M77 HydrophobicContact CD2-SD 4.36Å; F10-M77 HydrophobicContact CE1-CE 3.97Å; F10-M77 HydrophobicContact CE2-CE 2.97Å; F10-M77 HydrophobicContact CG-CE 3.65Å; F10-M77 HydrophobicContact CZ-CE 3.39Å; L73-M77 HydrophobicContact CD1-CE 3.68Å; L73-M77 HydrophobicContact CD1-CG 4.11Å; L73-M77 HydrophobicContact CG-CG 4.47Å; L73-M77 WeakPolarHBondContact O-CB 3.43Å; L73-M77 WeakPolarHBondContact O-CG 3.23Å; L73-M77 PolarHBondContact O-N 3.32Å; H75-M77 VanDerWaalsContact C-N 3.35Å; M77-N80 PolarHBondContact O-N 3.2Å; M77-S81 PolarHBondContact O-N 2.68Å; M77-S81 PolarHBondContact O-OG 2.96Å; M77-S81 VanDerWaalsContact O-OG 3.06Å
78	Y	83.6	Confident	71.9	Confident	48 Å²	48	76.7 Å²	76.7	19%	0.188	41%	0.413	C	S	.	.	H	α-helix	trans	-56.4	-51.4	178.6	-172.4	-89.6	0	0	0	112.2	D74 H75 V76 N80 S81 E82 E130 H131 E132	D74-Y78 VanDerWaalsContact O-CB 3.23Å; D74-Y78 WeakPolarHBondContact O-CB 3.08Å; D74-Y78 PolarHBondContact O-N 3.39Å; H75-Y78 WeakPolarHBondContact O-CB 3.47Å; H75-Y78 PolarHBondContact O-N 3.04Å; V76-Y78 VanDerWaalsContact C-N 3.35Å; Y78-N80 VanDerWaalsContact C-N 3.34Å; Y78-N80 PolarHBondContact O-N 3.25Å; Y78-S81 PolarHBondContact O-N 3.45Å; Y78-S81 PolarHBondContact O-OG 2.91Å; Y78-E82 HydrophobicContact CE1-CG 4.38Å; Y78-E82 VanDerWaalsContact CE1-OE2 3.23Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.43Å; Y78-E82 PolarHBondContact OH-OE1 2.98Å; Y78-E130 HydrophobicContact CE2-CB 4.23Å; Y78-H131 VanDerWaalsContact CZ-C 3.5Å; Y78-H131 VanDerWaalsContact CZ-O 3.23Å; Y78-H131 PolarHBondContact OH-N 2.9Å; Y78-H131 PolarHBondContact OH-O 2.81Å; Y78-E132 WeakPolarHBondContact OH-CA 3.23Å; Y78-E132 PolarHBondContact OH-N 3.42Å
79	T	79	Confident	68.9	Low	52 Å²	52	81.9 Å²	81.9	32%	0.319	45%	0.449	S	S	.	.	H	α-helix	trans	-66.7	-33.1	-179.4	54.8	0	0	0	0	112.9	H75 V76	H75-T79 WeakPolarHBondContact O-CG2 3.35Å; H75-T79 PolarHBondContact O-N 3.24Å; H75-T79 PolarHBondContact O-OG1 3Å; V76-T79 PolarHBondContact O-OG1 3.3Å; V76-T79 VanDerWaalsContact O-OG1 3.1Å
80	N	69.6	Low	65.9	Low	73 Å²	73	86.3 Å²	86.3	39%	0.39	48%	0.475	S	S	.	.	H	α-helix	trans	-76.7	-26.3	177.5	-74.7	-55.9	0	0	0	113.1	F10 V76 M77 Y78	F10-N80 PolarHBondContact N-ND2 2.56Å; V76-N80 VanDerWaalsContact CG1-ND2 3.34Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.28Å; V76-N80 WeakPolarHBondContact O-CB 3.36Å; V76-N80 PolarHBondContact O-N 3.14Å; V76-N80 VanDerWaalsContact O-N 3.13Å; V76-N80 PolarHBondContact O-ND2 3.41Å; M77-N80 PolarHBondContact O-N 3.2Å; Y78-N80 VanDerWaalsContact C-N 3.34Å; Y78-N80 PolarHBondContact O-N 3.25Å
81	S	66.6	Low	63.4	Low	50 Å²	50	91.7 Å²	91.7	35%	0.35	50%	0.497	S	S	.	.	H	α-helix	trans	-73	-27.7	176.7	43.3	0	0	0	0	114.3	M77 Y78 C83	M77-S81 PolarHBondContact O-N 2.68Å; M77-S81 PolarHBondContact O-OG 2.96Å; M77-S81 VanDerWaalsContact O-OG 3.06Å; Y78-S81 PolarHBondContact O-N 3.45Å; Y78-S81 PolarHBondContact O-OG 2.91Å; S81-C83 VanDerWaalsContact C-N 3.28Å; S81-C83 PolarHBondContact O-N 2.69Å
82	E	56.4	Low	60.3	Low	82 Å²	82	98.5 Å²	98.5	38%	0.383	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-0.1	-173.7	-81	-173.4	143.2	0	0	115.5	Y78 E132	Y78-E82 HydrophobicContact CE1-CG 4.38Å; Y78-E82 VanDerWaalsContact CE1-OE2 3.23Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.43Å; Y78-E82 PolarHBondContact OH-OE1 2.98Å; E82-E132 WeakPolarHBondContact OE1-CA 3.32Å; E82-E132 WeakPolarHBondContact OE1-CB 3.31Å; E82-E132 PolarHBondContact OE1-N 3.25Å; E82-E132 VanDerWaalsContact OE1-N 3.14Å
83	C	46.3	Very low	57.3	Low	126 Å²	126	104 Å²	104	85%	0.851	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	14.6	-176.3	-158.5	0	0	0	0	115.4	S81	S81-C83 VanDerWaalsContact C-N 3.28Å; S81-C83 PolarHBondContact O-N 2.69Å
84	G	40.3	Very low	54.5	Low	67 Å²	67	114.2 Å²	114.2	69%	0.691	60%	0.6	S	S	*	*	S	Bend	trans	-134.4	-6.7	-171.6	0	0	0	0	0	118.4
85	K	42.1	Very low	51.8	Low	199 Å²	199	118.2 Å²	118.2	87%	0.865	62%	0.616	S	S	*	*	S	Bend	trans	-138.6	57.4	-166.8	-63.2	-176.7	-174.1	166.9	0	114.1
86	K	35.3	Very low	49.3	Very low	219 Å²	219	123.4 Å²	123.4	95%	0.952	65%	0.645	S	S	*	*	S	Bend	trans	-153.6	74.5	165.8	-131.2	170.3	-172.2	167.6	0	112.1
87	G	29.9	Very low	47.1	Very low	69 Å²	69	130.4 Å²	130.4	71%	0.711	68%	0.681	S	S	*	*	S	Bend	trans	149.8	83	166	0	0	0	0	0	116.2
88	K	34.4	Very low	44.6	Very low	201 Å²	201	136.6 Å²	136.6	87%	0.874	70%	0.699	S	S	*	*			trans	176.1	144.5	137.4	-96.2	159.4	-174.5	176.1	0	109.7
89	S	33.3	Very low	42.2	Very low	108 Å²	108	141 Å²	141	76%	0.755	73%	0.726	S	S	*	*	S	Bend	trans	64.1	120.1	-179.1	53.5	0	0	0	0	115.2
90	D	32.6	Very low	40.1	Very low	153 Å²	153	143.5 Å²	143.5	82%	0.818	75%	0.746	S	S	*	*			cis	-151.8	119.1	21.3	-84.9	-37.2	0	0	0	110.7
91	K	40.7	Very low	38.3	Very low	206 Å²	206	145.3 Å²	145.3	90%	0.896	76%	0.76	S	S	*	*	S	Bend	trans	-132.2	114.7	152.5	-92.2	-176.3	-179.9	174.1	0	108.4
92	M	31.9	Very low	36.7	Very low	181 Å²	181	152.9 Å²	152.9	89%	0.892	78%	0.782	S	S	*	*			trans	69.4	106.2	152.2	-144.1	85.6	127	0	0	115.2
93	T	31.4	Very low	35.7	Very low	118 Å²	118	153.6 Å²	153.6	72%	0.724	80%	0.796	S	S	*	*				170.1	100.2	108.9	-57.7	0	0	0	0	109.4
94	R	34.2	Very low	35	Very low	252 Å²	252	154.4 Å²	154.4	95%	0.951	79%	0.792	S	S	*	*			trans	-135.8	73.5	143.4	-79.9	-167.9	-169.6	165.3	4.8	108	N96	R94-N96 PolarHBondContact O-N 2.49Å
95	Q	34.1	Very low	34.7	Very low	169 Å²	169	156 Å²	156	79%	0.79	79%	0.792	S	S	*	*			trans	-65.8	115.6	143.3	-90.4	177.4	-17.9	0	0	105.5
96	N	37.4	Very low	34.3	Very low	137 Å²	137	156.4 Å²	156.4	73%	0.733	79%	0.788	S	S	*	*				173.4	123.9	129.9	-87.3	-24.4	0	0	0	111.1	R94	R94-N96 PolarHBondContact O-N 2.49Å
97	I	42.2	Very low	34.2	Very low	148 Å²	148	157.3 Å²	157.3	76%	0.759	79%	0.786	S	S	*	*			trans	89.6	88.8	144.4	-54.7	157.6	0	0	0	116.5
98	R	35.5	Very low	34.1	Very low	210 Å²	210	159.7 Å²	159.7	79%	0.792	79%	0.792	S	S	*	*				66.1	111	110	-155.5	173.6	-147.3	177.8	6	118.4
99	N	32.6	Very low	34.3	Very low	140 Å²	140	155.3 Å²	155.3	75%	0.749	79%	0.786	S	S	*	*			trans	69.7	110.7	140.4	-59.7	-1.2	0	0	0	119.7
100	S	35.1	Very low	34.4	Very low	105 Å²	105	157.3 Å²	157.3	73%	0.734	79%	0.786	S	S	*	*				173.4	103	113	58.4	0	0	0	0	108.7
101	T	32.7	Very low	34.5	Very low	111 Å²	111	159 Å²	159	68%	0.681	78%	0.781	S	S	*	*				66.2	132.4	97.8	-31.7	0	0	0	0	114.1
102	Y	32.7	Very low	34.2	Very low	210 Å²	210	155 Å²	155	82%	0.824	77%	0.769	S	S	*	*			trans	83.7	118.2	173.4	-62.8	-79.4	0	0	0	114.5
103	S	35.3	Very low	34.1	Very low	96 Å²	96	154.6 Å²	154.6	67%	0.671	77%	0.765	S	S	*	*			cis	-163.5	126.2	15.9	-63.6	0	0	0	0	111
104	N	31.2	Very low	34.4	Very low	144 Å²	144	157.3 Å²	157.3	77%	0.77	77%	0.773	S	S	*	*				26.1	123.1	123.7	-79.6	-28	0	0	0	119
105	S	34.1	Very low	34.2	Very low	100 Å²	100	155.8 Å²	155.8	70%	0.699	77%	0.769	S	S	*	*				175.4	105.7	97.9	-165.3	0	0	0	0	110.6
106	R	33.2	Very low	34.4	Very low	207 Å²	207	153 Å²	153	78%	0.781	77%	0.768	S	S	*	*				55.7	127.7	113.7	-56.6	-179.1	-154.4	-154.5	6.9	114.2
107	R	34.1	Very low	34.1	Very low	238 Å²	238	153 Å²	153	90%	0.898	77%	0.768	S	S	*	*				-170.7	130.8	52.6	-142.7	174.1	-157.9	164.7	2.8	110.3
108	S	27.7	Very low	33.5	Very low	120 Å²	120	152.7 Å²	152.7	84%	0.839	77%	0.768	S	S	*	*			trans	-98.9	148.1	167.4	41	0	0	0	0	110.5
109	S	38.1	Very low	33.4	Very low	108 Å²	108	149.5 Å²	149.5	76%	0.755	77%	0.772	S	S	*	*			trans	-154.7	100.3	162	-171.3	0	0	0	0	107.2
110	M	36.4	Very low	33.2	Very low	151 Å²	151	147.3 Å²	147.3	74%	0.744	77%	0.768	S	S	*	*				63.9	135.7	104.7	-62.9	-118.9	-174.6	0	0	113.3
111	R	34.7	Very low	33.2	Very low	188 Å²	188	150.3 Å²	150.3	71%	0.709	78%	0.775	S	S	*	*			cis	173.9	139.1	3.1	163.1	-177.9	-78.6	-172.2	-1.6	106.8
112	N	32.7	Very low	33.1	Very low	123 Å²	123	148.6 Å²	148.6	66%	0.658	77%	0.767	S	S	*	*			trans	75.1	114.8	151	-64.9	-4.9	0	0	0	124.5
113	Q	31.7	Very low	32.9	Very low	172 Å²	172	144.2 Å²	144.2	80%	0.804	77%	0.766	S	S	*	*				50.9	119.3	118.7	-62.5	176.5	10.8	0	0	120.1
114	I	36.4	Very low	32.8	Very low	174 Å²	174	147.9 Å²	147.9	89%	0.892	77%	0.773	S	S	*	*				-166.8	140	129	-86.8	143.4	0	0	0	108.5
115	Y	31.4	Very low	32.8	Very low	220 Å²	220	147.2 Å²	147.2	86%	0.863	77%	0.774	S	S	*	*			trans	-38.9	138.7	178.4	-95	-111.5	0	0	0	117.7
116	S	36.3	Very low	32.7	Very low	110 Å²	110	147.8 Å²	147.8	77%	0.769	77%	0.773	S	S	*	*			trans	-170.5	119.1	144.1	176.6	0	0	0	0	109.9
117	D	32.1	Very low	32.8	Very low	138 Å²	138	145.4 Å²	145.4	74%	0.738	77%	0.77	S	S	*	*			trans	-52.5	140.8	164.4	-64.2	-51.9	0	0	0	110.9
118	N	30.5	Very low	32.7	Very low	141 Å²	141	142.2 Å²	142.2	75%	0.754	77%	0.771	S	S	*	*			trans	163.2	82.4	153.8	-78.7	-26.3	0	0	0	108	S120	N118-S120 PolarHBondContact O-N 3.05Å
119	T	32	Very low	33.2	Very low	144 Å²	144	143 Å²	143	88%	0.883	77%	0.766	S	S	*	*			trans	-73.6	70.3	164.5	-49.3	0	0	0	0	108.4	L121	T119-L121 PolarHBondContact O-N 2.77Å
120	S	29.1	Very low	33	Very low	94 Å²	94	144.4 Å²	144.4	66%	0.657	76%	0.76	S	S	*	*			trans	-71.9	94.9	155.2	56.5	0	0	0	0	106.4	N118 S122	N118-S120 PolarHBondContact O-N 3.05Å; S120-S122 PolarHBondContact O-N 3.19Å
121	L	35.1	Very low	33.4	Very low	167 Å²	167	142 Å²	142	87%	0.874	75%	0.747	S	S	*	*			trans	-73.7	84.6	164.5	-162.3	75.7	0	0	0	106.7	T119 C123	T119-L121 PolarHBondContact O-N 2.77Å; L121-C123 PolarHBondContact O-N 3.23Å
122	S	31.2	Very low	34	Very low	75 Å²	75	139.6 Å²	139.6	52%	0.524	74%	0.744	S	S	.	*			trans	-59.7	129.4	167.7	49.2	0	0	0	0	108.7	S120 E124	S120-S122 PolarHBondContact O-N 3.19Å; S122-E124 PolarHBondContact O-N 3.06Å
123	C	28.1	Very low	34.8	Very low	118 Å²	118	139.9 Å²	139.9	80%	0.797	74%	0.739	S	S	*	*			trans	-58.5	100.7	165.9	37.8	0	0	0	0	109.7	L121	L121-C123 PolarHBondContact O-N 3.23Å
124	E	32.1	Very low	36.3	Very low	174 Å²	174	134 Å²	134	81%	0.813	72%	0.718	S	S	*	*			trans	-115.3	135.6	162.6	-84.2	178.2	162.2	0	0	109.6	S122	S122-E124 PolarHBondContact O-N 3.06Å
125	T	32.1	Very low	38.6	Very low	129 Å²	129	131.6 Å²	131.6	79%	0.791	70%	0.701	S	S	*	*			trans	-67.8	165.3	-160.2	40.5	0	0	0	0	115.3
126	V	31	Very low	41.3	Very low	113 Å²	113	121.2 Å²	121.2	69%	0.685	66%	0.66	S	S	*	*			trans	93.8	89.4	161.7	-159.9	0	0	0	0	114.4
127	H	36.6	Very low	43.7	Very low	157 Å²	157	122 Å²	122	73%	0.727	66%	0.655	S	S	*	*				-174.5	118.6	112.1	-84.6	-63.2	0	0	0	107.8	D129	H127-D129 PolarHBondContact O-N 2.8Å
128	D	30.8	Very low	46.5	Very low	171 Å²	171	117.2 Å²	117.2	91%	0.914	63%	0.628	S	S	*	*			trans	-72	87.9	177.1	-69.7	-47.3	0	0	0	109
129	D	38	Very low	49.3	Very low	136 Å²	136	110.8 Å²	110.8	73%	0.727	59%	0.594	S	S	*	*			trans	-101	123.7	175	-73.3	-22.8	0	0	0	110.6	H127	H127-D129 PolarHBondContact O-N 2.8Å
130	E	33.8	Very low	51.8	Low	137 Å²	137	105 Å²	105	64%	0.64	56%	0.563	S	S	*	*			trans	-53.3	124.4	-173.5	-63.5	157.5	169.3	0	0	112.8	Y78 E132	Y78-E130 HydrophobicContact CE2-CB 4.23Å; E130-E132 PolarHBondContact O-N 3.41Å
131	H	45.1	Very low	54.5	Low	101 Å²	101	107.1 Å²	107.1	47%	0.468	56%	0.56	S	S	.	*			trans	-91.1	96	179.2	-92.9	-62.9	0	0	0	110.8	Y78 F133 S134	Y78-H131 VanDerWaalsContact CZ-C 3.5Å; Y78-H131 VanDerWaalsContact CZ-O 3.23Å; Y78-H131 PolarHBondContact OH-N 2.9Å; Y78-H131 PolarHBondContact OH-O 2.81Å; H131-F133 PolarHBondContact O-N 3.36Å; H131-S134 PolarHBondContact ND1-OG 2.92Å
132	E	48.7	Very low	56.9	Low	137 Å²	137	104.6 Å²	104.6	64%	0.64	54%	0.542	S	S	*	.			trans	-42.7	130.6	151.5	-161.7	178.3	-168.9	0	0	103.4	Y78 E82 E130 S134	Y78-E132 WeakPolarHBondContact OH-CA 3.23Å; Y78-E132 PolarHBondContact OH-N 3.42Å; E82-E132 WeakPolarHBondContact OE1-CA 3.32Å; E82-E132 WeakPolarHBondContact OE1-CB 3.31Å; E82-E132 PolarHBondContact OE1-N 3.25Å; E82-E132 VanDerWaalsContact OE1-N 3.14Å; E130-E132 PolarHBondContact O-N 3.41Å; E132-S134 VanDerWaalsContact O-CA 3.23Å; E132-S134 WeakPolarHBondContact O-CA 3.28Å; E132-S134 WeakPolarHBondContact O-CB 3.48Å; E132-S134 PolarHBondContact O-N 2.96Å; E132-S134 PolarHBondContact O-OG 3.23Å
133	F	48.2	Very low	59.5	Low	129 Å²	129	103.7 Å²	103.7	57%	0.566	53%	0.53	S	S	*	.	S	Bend	trans	-54.7	83.4	-173.8	-77.8	-79.4	0	0	0	110	H131 F142	H131-F133 PolarHBondContact O-N 3.36Å; F133-F142 HydrophobicContact CB-CD1 4.45Å; F133-F142 WeakPolarHBondContact O-CD1 3.48Å; F133-F142 VanDerWaalsContact O-CE1 3.28Å; F133-F142 WeakPolarHBondContact O-CE1 3.13Å
134	S	64.5	Low	62.1	Low	50 Å²	50	102.4 Å²	102.4	35%	0.35	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-102.6	137.4	-163	35.2	0	0	0	0	103	H131 E132 C136	H131-S134 PolarHBondContact ND1-OG 2.92Å; E132-S134 VanDerWaalsContact O-CA 3.23Å; E132-S134 WeakPolarHBondContact O-CA 3.28Å; E132-S134 WeakPolarHBondContact O-CB 3.48Å; E132-S134 PolarHBondContact O-N 2.96Å; E132-S134 PolarHBondContact O-OG 3.23Å; S134-C136 PolarHBondContact O-N 3.4Å
135	K	83.3	Confident	64.6	Low	123 Å²	123	95 Å²	95	54%	0.535	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-53	123.1	175.7	-67.7	178.7	-177.8	174.6	0	107.2	L137 G140 F142	K135-L137 PolarHBondContact O-N 3.06Å; K135-G140 WeakPolarHBondContact CB-O 3.19Å; K135-F142 HydrophobicContact CG-CE1 3.93Å; K135-F142 HydrophobicContact CG-CE2 4.5Å; K135-F142 HydrophobicContact CG-CZ 3.91Å
136	C	88.2	Confident	67	Low	1 Å²	1	95.4 Å²	95.4	1%	0.007	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-46.5	124.9	178.2	166.2	0	0	0	0	109.5	S134 F138 C139 G140 K141 H143	S134-C136 PolarHBondContact O-N 3.4Å; C136-F138 PolarHBondContact O-N 3.47Å; C136-F138 PolarHBondContact SG-N 3.1Å; C136-F138 VanDerWaalsContact SG-N 3.42Å; C136-C139 PolarHBondContact O-N 2.92Å; C136-G140 WeakPolarHBondContact O-CA 3.18Å; C136-G140 PolarHBondContact O-N 3.13Å; C136-K141 WeakPolarHBondContact CB-O 3.21Å; C136-K141 PolarHBondContact N-O 3.41Å; C136-H143 PolarHBondContact SG-CE1 2.98Å
137	L	86.7	Confident	69.5	Low	127 Å²	127	93.5 Å²	93.5	67%	0.665	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.4	-176.5	-63.4	171.4	0	0	0	112.6	K135	K135-L137 PolarHBondContact O-N 3.06Å
138	F	90.8	Very high	72	Confident	37 Å²	37	86.5 Å²	86.5	16%	0.162	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-36.2	-178.8	-55.2	-72.9	0	0	0	113.5	C136 C145 C148 F150 R151 G162 H163 I164	C136-F138 PolarHBondContact O-N 3.47Å; C136-F138 PolarHBondContact SG-N 3.1Å; C136-F138 VanDerWaalsContact SG-N 3.42Å; F138-C145 HydrophobicContact CD2-CB 4.34Å; F138-C145 HydrophobicContact CE2-CB 3.85Å; F138-C148 HydrophobicContact CB-CB 4.1Å; F138-C148 HydrophobicContact CD2-CB 3.86Å; F138-C148 HydrophobicContact CG-CB 4.28Å; F138-F150 HydrophobicContact CB-CB 4.38Å; F138-R151 HydrophobicContact CD1-CB 4.37Å; F138-R151 HydrophobicContact CD1-CG 4.35Å; F138-R151 HydrophobicContact CD2-CB 4.31Å; F138-R151 HydrophobicContact CD2-CG 4.4Å; F138-R151 HydrophobicContact CE1-CB 4.46Å; F138-R151 HydrophobicContact CE1-CG 3.95Å; F138-R151 HydrophobicContact CE2-CB 4.36Å; F138-R151 HydrophobicContact CE2-CG 3.95Å; F138-R151 HydrophobicContact CG-CB 4.35Å; F138-R151 HydrophobicContact CZ-CB 4.48Å; F138-R151 HydrophobicContact CZ-CG 3.76Å; F138-G162 WeakPolarHBondContact CD1-O 3.34Å; F138-G162 WeakPolarHBondContact CE1-O 3.42Å; F138-H163 CarbonylContact O-C 3.42Å; F138-H163 WeakPolarHBondContact O-CA 3.48Å; F138-I164 PolarHBondContact O-N 2.91Å
139	C	90.7	Very high	74.8	Confident	7 Å²	7	85.3 Å²	85.3	5%	0.047	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134	-9.2	-169.9	78.4	0	0	0	0	115.8	C136 K141 H143 F150 I164	C136-C139 PolarHBondContact O-N 2.92Å; C139-K141 VanDerWaalsContact C-N 3.29Å; C139-K141 PolarHBondContact O-N 3.48Å; C139-K141 PolarHBondContact SG-N 3.46Å; C139-K141 VanDerWaalsContact SG-N 3.4Å; C139-H143 PolarHBondContact SG-NE2 2.79Å; C139-F150 HydrophobicContact CB-CB 4.18Å; C139-F150 HydrophobicContact CB-CD2 3.48Å; C139-F150 VanDerWaalsContact CB-CD2 3.48Å; C139-F150 HydrophobicContact CB-CE2 4.24Å; C139-F150 HydrophobicContact CB-CG 4.15Å; C139-I164 HydrophobicContact CB-CD1 3.99Å
140	G	84.7	Confident	77.1	Confident	23 Å²	23	82.2 Å²	82.2	24%	0.237	42%	0.417	C	S	.	.	S	Bend	trans	77.9	3.4	-179.7	0	0	0	0	0	115.4	K135 C136	K135-G140 WeakPolarHBondContact CB-O 3.19Å; C136-G140 WeakPolarHBondContact O-CA 3.18Å; C136-G140 PolarHBondContact O-N 3.13Å
141	K	85.6	Confident	79.7	Confident	137 Å²	137	80.9 Å²	80.9	60%	0.596	41%	0.406	S	S	*	.	S	Bend	trans	-94.4	162.3	178.7	-59.2	-175.2	179	-176.5	0	112.1	C136 C139 H143	C136-K141 WeakPolarHBondContact CB-O 3.21Å; C136-K141 PolarHBondContact N-O 3.41Å; C139-K141 VanDerWaalsContact C-N 3.29Å; C139-K141 PolarHBondContact O-N 3.48Å; C139-K141 PolarHBondContact SG-N 3.46Å; C139-K141 VanDerWaalsContact SG-N 3.4Å; K141-H143 PolarHBondContact O-N 3.14Å
142	F	85.2	Confident	81.6	Confident	114 Å²	114	82.2 Å²	82.2	50%	0.5	42%	0.417	S	S	.	.	S	Bend	trans	-85	98.2	178.5	-62.8	-79.4	0	0	0	111.3	F133 K135	F133-F142 HydrophobicContact CB-CD1 4.45Å; F133-F142 WeakPolarHBondContact O-CD1 3.48Å; F133-F142 VanDerWaalsContact O-CE1 3.28Å; F133-F142 WeakPolarHBondContact O-CE1 3.13Å; K135-F142 HydrophobicContact CG-CE1 3.93Å; K135-F142 HydrophobicContact CG-CE2 4.5Å; K135-F142 HydrophobicContact CG-CZ 3.91Å
143	H	84.4	Confident	83.4	Confident	57 Å²	57	77 Å²	77	26%	0.264	40%	0.395	S	S	.	.	S	Bend	trans	-165.9	163	168.7	62.7	76.7	0	0	0	108.7	C136 C139 K141 C145 S147 C148	C136-H143 PolarHBondContact SG-CE1 2.98Å; C139-H143 PolarHBondContact SG-NE2 2.79Å; K141-H143 PolarHBondContact O-N 3.14Å; H143-C145 PolarHBondContact O-N 3.19Å; H143-S147 PolarHBondContact ND1-OG 3.02Å; H143-C148 VanDerWaalsContact CE1-CA 3.49Å; H143-C148 WeakPolarHBondContact CE1-CA 3.33Å; H143-C148 WeakPolarHBondContact CE1-CB 3.34Å; H143-C148 PolarHBondContact CE1-SG 3.04Å
144	P	83.1	Confident	85.4	Confident	90 Å²	90	78 Å²	78	58%	0.584	40%	0.4	S	S	*	.			trans	-56	137.4	175.2	-24.9	33.6	0	0	0	112.2	N146 S147	P144-N146 PolarHBondContact O-N 2.63Å; P144-N146 VanDerWaalsContact O-N 3.09Å; P144-S147 PolarHBondContact O-N 2.76Å; P144-S147 PolarHBondContact O-OG 3.01Å
145	C	84.4	Confident	86.7	Confident	19 Å²	19	75.8 Å²	75.8	13%	0.128	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-52.6	-34.3	177.6	-78.8	0	0	0	0	112.8	F138 H143 S147 C148	F138-C145 HydrophobicContact CD2-CB 4.34Å; F138-C145 HydrophobicContact CE2-CB 3.85Å; H143-C145 PolarHBondContact O-N 3.19Å; C145-S147 VanDerWaalsContact C-N 3.31Å; C145-S147 PolarHBondContact O-N 2.86Å; C145-C148 WeakPolarHBondContact O-CB 3.25Å; C145-C148 PolarHBondContact O-N 2.84Å
146	N	82.7	Confident	86.9	Confident	138 Å²	138	78.7 Å²	78.7	74%	0.738	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-69.1	-23.5	-179.9	-65.5	-20.3	0	0	0	114	P144	P144-N146 PolarHBondContact O-N 2.63Å; P144-N146 VanDerWaalsContact O-N 3.09Å
147	S	84.9	Confident	86.9	Confident	72 Å²	72	82.7 Å²	82.7	50%	0.503	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-93.1	2.5	178.6	65	0	0	0	0	113.4	H143 P144 C145 I149	H143-S147 PolarHBondContact ND1-OG 3.02Å; P144-S147 PolarHBondContact O-N 2.76Å; P144-S147 PolarHBondContact O-OG 3.01Å; C145-S147 VanDerWaalsContact C-N 3.31Å; C145-S147 PolarHBondContact O-N 2.86Å; S147-I149 PolarHBondContact O-N 3.49Å
148	C	89	Confident	87.1	Confident	10 Å²	10	78.3 Å²	78.3	7%	0.068	39%	0.394	C	S	.	.			trans	-71.8	122	-177.2	-156.3	0	0	0	0	112.9	F138 H143 C145 F150 R151	F138-C148 HydrophobicContact CB-CB 4.1Å; F138-C148 HydrophobicContact CD2-CB 3.86Å; F138-C148 HydrophobicContact CG-CB 4.28Å; H143-C148 VanDerWaalsContact CE1-CA 3.49Å; H143-C148 WeakPolarHBondContact CE1-CA 3.33Å; H143-C148 WeakPolarHBondContact CE1-CB 3.34Å; H143-C148 PolarHBondContact CE1-SG 3.04Å; C145-C148 WeakPolarHBondContact O-CB 3.25Å; C145-C148 PolarHBondContact O-N 2.84Å; C148-F150 PolarHBondContact O-N 3.06Å; C148-F150 PolarHBondContact SG-N 2.8Å; C148-F150 VanDerWaalsContact SG-N 3.42Å; C148-R151 HydrophobicContact CB-CB 4.24Å; C148-R151 VanDerWaalsContact O-CB 3.23Å; C148-R151 WeakPolarHBondContact O-CB 3.02Å; C148-R151 PolarHBondContact O-N 3.31Å; C148-R151 VanDerWaalsContact O-N 3.14Å
149	I	88.3	Confident	87	Confident	147 Å²	147	79 Å²	79	75%	0.754	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.5	169	67.4	174	0	0	0	112.5	S147 R151	S147-I149 PolarHBondContact O-N 3.49Å; I149-R151 VanDerWaalsContact C-N 3.31Å
150	F	87	Confident	86.8	Confident	71 Å²	71	83.6 Å²	83.6	31%	0.311	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.1	-179	-60.4	-72.4	0	0	0	113.3	F138 C139 C148 N152 S153 I164	F138-F150 HydrophobicContact CB-CB 4.38Å; C139-F150 HydrophobicContact CB-CB 4.18Å; C139-F150 HydrophobicContact CB-CD2 3.48Å; C139-F150 VanDerWaalsContact CB-CD2 3.48Å; C139-F150 HydrophobicContact CB-CE2 4.24Å; C139-F150 HydrophobicContact CB-CG 4.15Å; C148-F150 PolarHBondContact O-N 3.06Å; C148-F150 PolarHBondContact SG-N 2.8Å; C148-F150 VanDerWaalsContact SG-N 3.42Å; F150-N152 PolarHBondContact O-N 2.96Å; F150-N152 VanDerWaalsContact O-N 3.13Å; F150-S153 WeakPolarHBondContact CB-OG 3.41Å; F150-S153 WeakPolarHBondContact O-CB 3.18Å; F150-S153 PolarHBondContact O-N 3.3Å; F150-S153 PolarHBondContact O-OG 3.41Å; F150-I164 HydrophobicContact CB-CG2 3.72Å; F150-I164 HydrophobicContact CD1-CG2 3.47Å; F150-I164 VanDerWaalsContact CD1-CG2 3.47Å; F150-I164 HydrophobicContact CD2-CG2 4.44Å; F150-I164 HydrophobicContact CE1-CG2 4.18Å; F150-I164 HydrophobicContact CG-CG2 3.62Å
151	R	87.4	Confident	87	Confident	109 Å²	109	86.1 Å²	86.1	41%	0.411	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-38	-178.8	-177.6	174.1	179.1	-133.1	-1.2	113.2	F138 C148 I149 G162	F138-R151 HydrophobicContact CD1-CB 4.37Å; F138-R151 HydrophobicContact CD1-CG 4.35Å; F138-R151 HydrophobicContact CD2-CB 4.31Å; F138-R151 HydrophobicContact CD2-CG 4.4Å; F138-R151 HydrophobicContact CE1-CB 4.46Å; F138-R151 HydrophobicContact CE1-CG 3.95Å; F138-R151 HydrophobicContact CE2-CB 4.36Å; F138-R151 HydrophobicContact CE2-CG 3.95Å; F138-R151 HydrophobicContact CG-CB 4.35Å; F138-R151 HydrophobicContact CZ-CB 4.48Å; F138-R151 HydrophobicContact CZ-CG 3.76Å; C148-R151 HydrophobicContact CB-CB 4.24Å; C148-R151 VanDerWaalsContact O-CB 3.23Å; C148-R151 WeakPolarHBondContact O-CB 3.02Å; C148-R151 PolarHBondContact O-N 3.31Å; C148-R151 VanDerWaalsContact O-N 3.14Å; I149-R151 VanDerWaalsContact C-N 3.31Å; R151-G162 WeakPolarHBondContact O-CA 3.45Å
152	N	86.3	Confident	87	Confident	128 Å²	128	80.6 Å²	80.6	68%	0.684	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	15.3	-179.4	-59.4	-29.3	0	0	0	112.8	F150 T161	F150-N152 PolarHBondContact O-N 2.96Å; F150-N152 VanDerWaalsContact O-N 3.13Å; N152-T161 WeakPolarHBondContact O-CG2 3.23Å
153	S	85.9	Confident	87.3	Confident	27 Å²	27	76.5 Å²	76.5	19%	0.189	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-76	141.3	179	67.5	0	0	0	0	111.1	F150 T161 G162 I164	F150-S153 WeakPolarHBondContact CB-OG 3.41Å; F150-S153 WeakPolarHBondContact O-CB 3.18Å; F150-S153 PolarHBondContact O-N 3.3Å; F150-S153 PolarHBondContact O-OG 3.41Å; S153-T161 WeakPolarHBondContact O-CA 3.49Å; S153-G162 PolarHBondContact O-N 3.27Å; S153-I164 WeakPolarHBondContact OG-CG2 3.4Å
154	K	90.9	Very high	87.5	Confident	151 Å²	151	75.4 Å²	75.4	66%	0.657	41%	0.405	S	S	*	.	B	Isolated β-bridge	trans	-81.8	128.6	171.6	-72.2	-175.8	179.7	-179.7	0	109.3	F156	K154-F156 PolarHBondContact O-N 3.4Å
155	C	91.8	Very high	87.8	Confident	3 Å²	3	76.6 Å²	76.6	2%	0.02	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-66.3	125.3	177	179.8	0	0	0	0	111.1	K157 C158 G159 I160 H163 C168	C155-K157 PolarHBondContact O-N 3.32Å; C155-K157 PolarHBondContact SG-N 3.01Å; C155-C158 VanDerWaalsContact CB-SG 3.6Å; C155-C158 VanDerWaalsContact SG-SG 3.68Å; C155-G159 VanDerWaalsContact O-CA 3.24Å; C155-G159 WeakPolarHBondContact O-CA 3.34Å; C155-G159 PolarHBondContact O-N 3.36Å; C155-I160 VanDerWaalsContact CB-O 3.31Å; C155-I160 WeakPolarHBondContact CB-O 3.39Å; C155-I160 PolarHBondContact N-O 3.26Å; C155-H163 WeakPolarHBondContact CA-O 3.37Å; C155-H163 WeakPolarHBondContact CB-NE2 3.49Å; C155-H163 VanDerWaalsContact CB-O 3.28Å; C155-H163 WeakPolarHBondContact CB-O 3.23Å; C155-H163 PolarHBondContact N-O 2.77Å; C155-H163 PolarHBondContact SG-NE2 3.1Å; C155-C168 VanDerWaalsContact SG-CB 3.56Å
156	F	87.8	Confident	87.8	Confident	185 Å²	185	80.1 Å²	80.1	81%	0.811	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.2	176.1	-66.4	-76.9	0	0	0	114	K154 Q165	K154-F156 PolarHBondContact O-N 3.4Å; F156-Q165 HydrophobicContact CB-CB 4.39Å
157	K	86.8	Confident	88.1	Confident	84 Å²	84	75.5 Å²	75.5	37%	0.365	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-45.9	-179.5	-169.2	-173.7	-176.4	-159.5	0	113.4	C155 Q165 C168 T170 V172	C155-K157 PolarHBondContact O-N 3.32Å; C155-K157 PolarHBondContact SG-N 3.01Å; K157-Q165 HydrophobicContact CB-CG 4.18Å; K157-C168 HydrophobicContact CB-CB 4.17Å; K157-C168 HydrophobicContact CD-CB 3.88Å; K157-C168 PolarHBondContact NZ-O 3.42Å; K157-C168 VanDerWaalsContact NZ-O 3.16Å; K157-T170 WeakPolarHBondContact CE-O 3.41Å; K157-T170 PolarHBondContact NZ-O 2.98Å; K157-V172 HydrophobicContact CG-CG2 4.07Å
158	C	91.5	Very high	88.4	Confident	36 Å²	36	72.5 Å²	72.5	24%	0.243	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-6.6	-175.8	70	0	0	0	0	114.6	C155 I160 H163 C168 T170	C155-C158 VanDerWaalsContact CB-SG 3.6Å; C155-C158 VanDerWaalsContact SG-SG 3.68Å; C158-I160 PolarHBondContact O-N 3.15Å; C158-H163 PolarHBondContact SG-CE1 3.13Å; C158-H163 PolarHBondContact SG-NE2 3.21Å; C158-C168 VanDerWaalsContact SG-SG 3.69Å; C158-T170 HydrophobicContact CB-CG2 3.89Å
159	G	87.6	Confident	88.1	Confident	51 Å²	51	79.7 Å²	79.7	53%	0.526	42%	0.421	S	S	.	.			trans	75.6	-7.6	-178.9	0	0	0	0	0	115.5	C155	C155-G159 VanDerWaalsContact O-CA 3.24Å; C155-G159 WeakPolarHBondContact O-CA 3.34Å; C155-G159 PolarHBondContact O-N 3.36Å
160	I	87.2	Confident	87.6	Confident	104 Å²	104	75.5 Å²	75.5	53%	0.533	40%	0.402	S	S	.	.			trans	-78.8	137.9	-178.9	-55.6	174	0	0	0	110.2	C155 C158	C155-I160 VanDerWaalsContact CB-O 3.31Å; C155-I160 WeakPolarHBondContact CB-O 3.39Å; C155-I160 PolarHBondContact N-O 3.26Å; C158-I160 PolarHBondContact O-N 3.15Å
161	T	88.4	Confident	86.7	Confident	76 Å²	76	79.2 Å²	79.2	47%	0.466	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-73.8	144.1	175.1	-49.2	0	0	0	0	111.2	N152 S153	N152-T161 WeakPolarHBondContact O-CG2 3.23Å; S153-T161 WeakPolarHBondContact O-CA 3.49Å
162	G	86.2	Confident	85.2	Confident	20 Å²	20	78.1 Å²	78.1	21%	0.206	43%	0.428	C	S	.	.	S	Bend	trans	107.5	16.7	172.4	0	0	0	0	0	114.6	F138 R151 S153	F138-G162 WeakPolarHBondContact CD1-O 3.34Å; F138-G162 WeakPolarHBondContact CE1-O 3.42Å; R151-G162 WeakPolarHBondContact O-CA 3.45Å; S153-G162 PolarHBondContact O-N 3.27Å
163	H	91.2	Very high	83.1	Confident	29 Å²	29	79.6 Å²	79.6	13%	0.134	43%	0.43	C	S	.	.			trans	-168	159.2	166.4	64.4	-77.6	0	0	0	111.3	F138 C155 C158 V167 C168	F138-H163 CarbonylContact O-C 3.42Å; F138-H163 WeakPolarHBondContact O-CA 3.48Å; C155-H163 WeakPolarHBondContact CA-O 3.37Å; C155-H163 WeakPolarHBondContact CB-NE2 3.49Å; C155-H163 VanDerWaalsContact CB-O 3.28Å; C155-H163 WeakPolarHBondContact CB-O 3.23Å; C155-H163 PolarHBondContact N-O 2.77Å; C155-H163 PolarHBondContact SG-NE2 3.1Å; C158-H163 PolarHBondContact SG-CE1 3.13Å; C158-H163 PolarHBondContact SG-NE2 3.21Å; H163-V167 HydrophobicContact CB-CG2 3.72Å; H163-C168 PolarHBondContact NE2-SG 3.22Å
164	I	90.1	Very high	80.6	Confident	33 Å²	33	83.9 Å²	83.9	17%	0.169	46%	0.46	C	S	.	.			trans	-94.2	165.6	173.5	66.3	179.7	0	0	0	112.1	F138 C139 F150 S153 S166 V167 C168	F138-I164 PolarHBondContact O-N 2.91Å; C139-I164 HydrophobicContact CB-CD1 3.99Å; F150-I164 HydrophobicContact CB-CG2 3.72Å; F150-I164 HydrophobicContact CD1-CG2 3.47Å; F150-I164 VanDerWaalsContact CD1-CG2 3.47Å; F150-I164 HydrophobicContact CD2-CG2 4.44Å; F150-I164 HydrophobicContact CE1-CG2 4.18Å; F150-I164 HydrophobicContact CG-CG2 3.62Å; S153-I164 WeakPolarHBondContact OG-CG2 3.4Å; I164-S166 WeakPolarHBondContact CD1-OG 3.47Å; I164-S166 WeakPolarHBondContact CG1-OG 3.08Å; I164-S166 PolarHBondContact O-N 2.98Å; I164-S166 VanDerWaalsContact O-N 3.1Å; I164-V167 HydrophobicContact CG1-CG2 3.95Å; I164-V167 VanDerWaalsContact O-CG2 3.23Å; I164-V167 WeakPolarHBondContact O-CG2 3.39Å; I164-V167 PolarHBondContact O-N 3.46Å; I164-V167 VanDerWaalsContact O-N 3.11Å; I164-C168 PolarHBondContact O-N 3.46Å
165	Q	88.3	Confident	77.9	Confident	116 Å²	116	80.9 Å²	80.9	54%	0.542	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-53.1	-33.7	-179.5	175.9	169.6	13.9	0	0	113.9	F156 K157 V167 C168	F156-Q165 HydrophobicContact CB-CB 4.39Å; K157-Q165 HydrophobicContact CB-CG 4.18Å; Q165-V167 VanDerWaalsContact C-N 3.31Å; Q165-V167 PolarHBondContact O-N 3.32Å; Q165-C168 WeakPolarHBondContact O-CB 3.49Å; Q165-C168 PolarHBondContact O-N 3.14Å
166	S	85.2	Confident	75.2	Confident	93 Å²	93	88.4 Å²	88.4	65%	0.65	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-70.8	-20.6	-177.8	62.8	0	0	0	0	114.7	I164	I164-S166 WeakPolarHBondContact CD1-OG 3.47Å; I164-S166 WeakPolarHBondContact CG1-OG 3.08Å; I164-S166 PolarHBondContact O-N 2.98Å; I164-S166 VanDerWaalsContact O-N 3.1Å
167	V	88.3	Confident	72.6	Confident	41 Å²	41	84.9 Å²	84.9	25%	0.248	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-109.7	7	176.8	-69.1	0	0	0	0	112.2	H163 I164 Q165 N169	H163-V167 HydrophobicContact CB-CG2 3.72Å; I164-V167 HydrophobicContact CG1-CG2 3.95Å; I164-V167 VanDerWaalsContact O-CG2 3.23Å; I164-V167 WeakPolarHBondContact O-CG2 3.39Å; I164-V167 PolarHBondContact O-N 3.46Å; I164-V167 VanDerWaalsContact O-N 3.11Å; Q165-V167 VanDerWaalsContact C-N 3.31Å; Q165-V167 PolarHBondContact O-N 3.32Å; V167-N169 PolarHBondContact O-N 2.73Å
168	C	90.6	Very high	69.8	Low	9 Å²	9	87 Å²	87	6%	0.061	51%	0.512	C	S	.	.			trans	-78.8	108.3	-176.2	-173	0	0	0	0	112.2	C155 K157 C158 H163 I164 Q165 T170	C155-C168 VanDerWaalsContact SG-CB 3.56Å; K157-C168 HydrophobicContact CB-CB 4.17Å; K157-C168 HydrophobicContact CD-CB 3.88Å; K157-C168 PolarHBondContact NZ-O 3.42Å; K157-C168 VanDerWaalsContact NZ-O 3.16Å; C158-C168 VanDerWaalsContact SG-SG 3.69Å; H163-C168 PolarHBondContact NE2-SG 3.22Å; I164-C168 PolarHBondContact O-N 3.46Å; Q165-C168 WeakPolarHBondContact O-CB 3.49Å; Q165-C168 PolarHBondContact O-N 3.14Å; C168-T170 VanDerWaalsContact C-N 3.31Å
169	N	82.5	Confident	67.2	Low	161 Å²	161	89.8 Å²	89.8	86%	0.861	54%	0.538	S	S	*	.			trans	-83.9	-1.2	176.3	-66.4	-18.5	0	0	0	113.8	V167 M171	V167-N169 PolarHBondContact O-N 2.73Å; N169-M171 PolarHBondContact O-N 3.13Å
170	T	79.4	Confident	64.7	Low	58 Å²	58	96.1 Å²	96.1	36%	0.356	55%	0.551	S	S	.	*			trans	-67.5	121	178.3	-47.4	0	0	0	0	109.8	K157 C158 C168 V172	K157-T170 WeakPolarHBondContact CE-O 3.41Å; K157-T170 PolarHBondContact NZ-O 2.98Å; C158-T170 HydrophobicContact CB-CG2 3.89Å; C168-T170 VanDerWaalsContact C-N 3.31Å; T170-V172 PolarHBondContact O-N 2.65Å
171	M	66.7	Low	62	Low	150 Å²	150	99.2 Å²	99.2	74%	0.739	57%	0.565	S	S	*	*			trans	-77.8	115.2	167.3	-163	174.8	-139.1	0	0	107.3	N169 H173	N169-M171 PolarHBondContact O-N 3.13Å; M171-H173 PolarHBondContact O-N 3.27Å
172	V	55.9	Low	59.3	Low	86 Å²	86	103.9 Å²	103.9	52%	0.521	59%	0.587	S	S	.	*			trans	-71.4	101.6	173.3	179.3	0	0	0	0	106.4	K157 T170 S174	K157-V172 HydrophobicContact CG-CG2 4.07Å; T170-V172 PolarHBondContact O-N 2.65Å; V172-S174 PolarHBondContact O-N 3.19Å
173	H	43	Very low	56.6	Low	158 Å²	158	107.8 Å²	107.8	73%	0.731	62%	0.618	S	S	*	*			trans	-67.9	111.4	159.2	-74.9	-75.8	0	0	0	106.3	M171 A175	M171-H173 PolarHBondContact O-N 3.27Å; H173-A175 PolarHBondContact O-N 3.31Å
174	S	33.5	Very low	54.2	Low	117 Å²	117	112 Å²	112	82%	0.818	65%	0.65	S	S	*	*			trans	-58.7	87.9	158.9	-56.1	0	0	0	0	106.7	V172 E176	V172-S174 PolarHBondContact O-N 3.19Å; S174-E176 VanDerWaalsContact C-N 3.31Å; S174-E176 PolarHBondContact O-N 2.96Å
175	A	34.7	Very low	51.3	Low	89 Å²	89	117.5 Å²	117.5	74%	0.736	68%	0.68	S	S	*	*			trans	-67.8	99.9	168.5	0	0	0	0	0	105.8	H173 S177	H173-A175 PolarHBondContact O-N 3.31Å; A175-S177 PolarHBondContact O-N 3.4Å
176	E	34.3	Very low	48.8	Very low	160 Å²	160	117.9 Å²	117.9	75%	0.748	69%	0.685	S	S	*	*			trans	-46	111	153.8	-81	177.5	159.5	0	0	106.6	S174 N178	S174-E176 VanDerWaalsContact C-N 3.31Å; S174-E176 PolarHBondContact O-N 2.96Å; E176-N178 PolarHBondContact O-N 3.07Å; E176-N178 PolarHBondContact OE2-ND2 3.35Å
177	S	32.5	Very low	46.4	Very low	112 Å²	112	121.1 Å²	121.1	78%	0.783	69%	0.691	S	S	*	*			trans	-69.9	72	168.3	64.8	0	0	0	0	108.2	A175 A179	A175-S177 PolarHBondContact O-N 3.4Å; S177-A179 PolarHBondContact O-N 3.26Å
178	N	29.9	Very low	43.7	Very low	128 Å²	128	126.8 Å²	126.8	68%	0.684	72%	0.719	S	S	*	*			trans	-79.1	68	159.1	-72.1	-39.9	0	0	0	107.1	E176 K180	E176-N178 PolarHBondContact O-N 3.07Å; E176-N178 PolarHBondContact OE2-ND2 3.35Å; N178-K180 PolarHBondContact O-N 3.49Å; N178-K180 VanDerWaalsContact O-N 3.12Å
179	A	35.7	Very low	41	Very low	94 Å²	94	130.5 Å²	130.5	78%	0.777	75%	0.745	S	S	*	*			trans	-70.3	102.5	161.8	0	0	0	0	0	106.9	S177	S177-A179 PolarHBondContact O-N 3.26Å
180	K	36.2	Very low	38.5	Very low	185 Å²	185	130.7 Å²	130.7	80%	0.804	75%	0.745	S	S	*	*			trans	-50.6	139.6	168.8	-73	172.4	174.1	174.9	0	110.6	N178	N178-K180 PolarHBondContact O-N 3.49Å; N178-K180 VanDerWaalsContact O-N 3.12Å
181	M	29.5	Very low	36.2	Very low	169 Å²	169	132 Å²	132	83%	0.833	76%	0.757	S	S	*	*			trans	48.6	108.5	140.6	-65.2	176.6	172.4	0	0	116.7
182	D	31.1	Very low	34.5	Very low	174 Å²	174	135.3 Å²	135.3	93%	0.93	76%	0.761	S	S	*	*				-155.1	137	117.3	-96.5	-29.3	0	0	0	111.5
183	A	30.9	Very low	33.4	Very low	102 Å²	102	142 Å²	142	84%	0.843	78%	0.777	S	S	*	*			trans	-85.8	131.6	-175.2	0	0	0	0	0	111
184	S	39.9	Very low	32.9	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	78%	0.776	S	S	*	*			trans	-158.5	110	147.1	63.5	0	0	0	0	110.5
185	N	30.3	Very low	32.9	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	78%	0.776	S	S	*	*			trans	-49.5	136.2	159.7	-94.7	-16.8	0	0	0	110.6
186	D	35.8	Very low	32.7	Very low	124 Å²	124	140.5 Å²	140.5	66%	0.663	77%	0.771	S	S	*	*				161.9	120.9	108	-91.6	-33.1	0	0	0	111.8
187	Q	33.6	Very low	32.6	Very low	162 Å²	162	138.2 Å²	138.2	76%	0.757	76%	0.764	S	S	*	*			trans	69.5	145	134.9	-57.1	-165.2	35.1	0	0	121.7
188	L	32.9	Very low	32.6	Very low	160 Å²	160	142.3 Å²	142.3	84%	0.838	76%	0.763	S	S	*	*			trans	93.2	127.5	165.4	-56.5	162.2	0	0	0	115.4
189	S	32.5	Very low	32.6	Very low	87 Å²	87	142.1 Å²	142.1	61%	0.608	76%	0.762	S	S	*	*			cis	175	144.2	-12.2	-110.6	0	0	0	0	107
190	L	31.3	Very low	32.5	Very low	164 Å²	164	143.2 Å²	143.2	86%	0.859	76%	0.764	S	S	*	*			trans	69.5	139.7	151.9	-67	149.1	0	0	0	118.4
191	S	30.9	Very low	32.4	Very low	87 Å²	87	139.8 Å²	139.8	61%	0.608	76%	0.761	S	S	*	*			cis	176.1	151.3	-8	179.9	0	0	0	0	108.3
192	R	31.1	Very low	32.5	Very low	219 Å²	219	140 Å²	140	83%	0.826	76%	0.76	S	S	*	*			trans	75.7	127.9	146.5	-106.1	162.4	51.7	161.4	-4.3	117.6
193	R	32.1	Very low	32.6	Very low	226 Å²	226	138.6 Å²	138.6	85%	0.853	75%	0.751	S	S	*	*			cis	-150	134.1	30.4	-78.5	162.3	123.8	175.9	-4.9	107.7
194	G	32.1	Very low	32.9	Very low	70 Å²	70	139.9 Å²	139.9	72%	0.722	74%	0.744	S	S	*	*				86.3	119	81.3	0	0	0	0	0	109.6
195	I	34.4	Very low	32.4	Very low	159 Å²	159	142.4 Å²	142.4	82%	0.815	74%	0.743	S	S	*	*				-177.7	119.7	57.6	-88.5	162.7	0	0	0	105.8
196	T	30.9	Very low	32.4	Very low	104 Å²	104	140.4 Å²	140.4	64%	0.638	74%	0.736	S	S	*	*				98.2	103	90.3	-48.3	0	0	0	0	111.5
197	L	30.7	Very low	32	Very low	112 Å²	112	142.8 Å²	142.8	59%	0.586	74%	0.744	S	S	*	*				87.2	130.7	96.3	-116.5	130.5	0	0	0	111.6	N199	L197-N199 WeakPolarHBondContact CD2-ND2 3.41Å
198	Y	34	Very low	31.7	Very low	198 Å²	198	140.4 Å²	140.4	78%	0.776	75%	0.745	S	S	*	*				-162	124.8	62.1	-90.7	-98.6	0	0	0	109.1
199	N	29	Very low	31.4	Very low	123 Å²	123	139.7 Å²	139.7	66%	0.658	74%	0.737	S	S	*	*				60.3	111.1	90.8	-64.3	-14.3	0	0	0	115.8	L197	L197-N199 WeakPolarHBondContact CD2-ND2 3.41Å
200	S	33.2	Very low	31.2	Very low	118 Å²	118	146 Å²	146	83%	0.825	75%	0.748	S	S	*	*				178.9	148.5	90	-90	0	0	0	0	113.6
201	P	33.9	Very low	31	Very low	113 Å²	113	146.8 Å²	146.8	73%	0.734	75%	0.747	S	S	*	*			trans	-112.2	-174.8	-175.9	40.3	-26.4	0	0	0	114.1
202	E	32.2	Very low	30.8	Very low	174 Å²	174	146.4 Å²	146.4	81%	0.813	75%	0.749	S	S	*	*			trans	90.8	116.1	160.4	-67.5	179.5	168.6	0	0	119.5
203	L	34	Very low	30.8	Very low	143 Å²	143	145.3 Å²	145.3	75%	0.749	75%	0.75	S	S	*	*				172.3	105.5	119.2	-90.1	168.2	0	0	0	106.9
204	N	35.5	Very low	30.6	Very low	130 Å²	130	142.7 Å²	142.7	70%	0.695	75%	0.751	S	S	*	*				70.6	144.3	105.8	81.2	-14.1	0	0	0	112.6
205	E	30.2	Very low	30.3	Very low	169 Å²	169	146.4 Å²	146.4	79%	0.79	75%	0.754	S	S	*	*			cis	-169.2	150.4	-4.7	-136.5	171.9	-170.5	0	0	104.5
206	T	29.6	Very low	29.9	Very low	106 Å²	106	145.4 Å²	145.4	65%	0.65	75%	0.751	S	S	*	*			trans	87	106.4	151.3	-31.1	0	0	0	0	119.9
207	Q	28.3	Very low	29.7	Very low	174 Å²	174	149.9 Å²	149.9	81%	0.813	76%	0.764	S	S	*	*			trans	76.3	118.7	138.5	-77.8	172.5	-18.6	0	0	121.8
208	S	27.3	Very low	29.5	Very low	113 Å²	113	149.6 Å²	149.6	79%	0.79	77%	0.771	S	S	*	*			trans	86.6	104.3	143.9	70.8	0	0	0	0	118.4
209	H	25.6	Very low	29.1	Very low	145 Å²	145	146.4 Å²	146.4	67%	0.671	77%	0.773	S	S	*	*			trans	81.9	76.9	141.1	-144.7	-81.4	0	0	0	121.6	E211	H209-E211 PolarHBondContact O-N 3.34Å
210	W	29.6	Very low	29	Very low	218 Å²	218	150.9 Å²	150.9	83%	0.826	78%	0.782	S	S	*	*			trans	-18.1	92.5	161.2	-34.8	-120.4	0	0	0	114.3
211	E	26.5	Very low	28.6	Very low	182 Å²	182	154 Å²	154	85%	0.85	78%	0.784	S	S	*	*			trans	-96	154.4	155.8	-84.7	-168.2	166.2	0	0	110.5	H209	H209-E211 PolarHBondContact O-N 3.34Å
212	A	27.8	Very low	28.3	Very low	79 Å²	79	155.1 Å²	155.1	65%	0.653	78%	0.782	S	S	*	*			trans	93.6	110.3	146.6	0	0	0	0	0	119.8
213	K	30.8	Very low	28	Very low	195 Å²	195	151.8 Å²	151.8	85%	0.848	78%	0.777	S	S	*	*				76.2	111.7	129	-67.6	171.5	-178.2	174.1	0	116.6
214	I	27.6	Very low	27.6	Very low	171 Å²	171	152.5 Å²	152.5	88%	0.877	78%	0.777	S	S	*	*				-162.2	114.7	116	-89.2	145.6	0	0	0	109.1
215	L	25.7	Very low	27.3	Very low	148 Å²	148	152.6 Å²	152.6	78%	0.775	78%	0.782	S	S	*	*			trans	32.8	135.9	152	-126.2	81.9	0	0	0	122.8
216	N	25.8	Very low	27.1	Very low	139 Å²	139	151.3 Å²	151.3	74%	0.743	78%	0.779	S	S	*	*			trans	80.1	90.2	156.4	-70.8	-7.8	0	0	0	118.8
217	Q	26.9	Very low	27	Very low	198 Å²	198	150.7 Å²	150.7	93%	0.925	78%	0.775	S	S	*	*				173.7	102.9	125.9	-99.3	167.2	-5.4	0	0	109.3
218	S	26.9	Very low	27	Very low	105 Å²	105	148.2 Å²	148.2	73%	0.734	77%	0.774	S	S	*	*			trans	-115.6	93.2	157.8	41.4	0	0	0	0	108.2	Y220	S218-Y220 PolarHBondContact O-N 3.08Å
219	T	25.9	Very low	27	Very low	131 Å²	131	149.3 Å²	149.3	80%	0.804	77%	0.771	S	S	*	*			trans	13.4	91.9	133.3	-16.1	0	0	0	0	115.7
220	Y	26.8	Very low	27.1	Very low	217 Å²	217	150.8 Å²	150.8	85%	0.851	78%	0.78	S	S	*	*			trans	-91	113.3	150	-88.8	-89.3	0	0	0	107.9	S218 I222	S218-Y220 PolarHBondContact O-N 3.08Å; Y220-I222 PolarHBondContact O-N 3.47Å
221	Q	24.7	Very low	27.1	Very low	185 Å²	185	146.3 Å²	146.3	86%	0.864	78%	0.777	S	S	*	*			trans	-67.4	115	165.6	-66	172	-39.4	0	0	108.3
222	I	27.4	Very low	27.2	Very low	136 Å²	136	142.5 Å²	142.5	70%	0.697	77%	0.769	S	S	*	*			trans	-139.7	117.2	157	-61.7	-177.7	0	0	0	107.7	Y220 H224	Y220-I222 PolarHBondContact O-N 3.47Å; I222-H224 VanDerWaalsContact CG2-CD2 3.46Å; I222-H224 WeakPolarHBondContact CG2-CD2 3.34Å
223	S	24.5	Very low	27.4	Very low	103 Å²	103	149.4 Å²	149.4	72%	0.72	78%	0.778	S	S	*	*			trans	-100.1	101.6	-175	47.5	0	0	0	0	110.2
224	H	27.2	Very low	27.2	Very low	158 Å²	158	147 Å²	147	73%	0.731	77%	0.774	S	S	*	*			trans	-147.2	83.4	164.6	-60.9	-68.5	0	0	0	110.9	I222	I222-H224 VanDerWaalsContact CG2-CD2 3.46Å; I222-H224 WeakPolarHBondContact CG2-CD2 3.34Å
225	V	27.8	Very low	27.4	Very low	133 Å²	133	145.6 Å²	145.6	81%	0.806	77%	0.769	S	S	*	*			trans	-86.7	107.3	152.5	175.5	0	0	0	0	105.1	V227	V225-V227 HydrophobicContact CG1-CG2 4.05Å; V225-V227 PolarHBondContact O-N 3.27Å; V225-V227 VanDerWaalsContact O-N 3.09Å
226	I	26.4	Very low	27.5	Very low	142 Å²	142	143.3 Å²	143.3	73%	0.728	77%	0.765	S	S	*	*			trans	-77.6	96.3	174.4	-60.4	175.6	0	0	0	107.3
227	V	28.2	Very low	28	Very low	93 Å²	93	145.3 Å²	145.3	56%	0.564	77%	0.77	S	S	*	*			trans	-85.2	123.6	158.8	178	0	0	0	0	106.2	V225 D229	V225-V227 HydrophobicContact CG1-CG2 4.05Å; V225-V227 PolarHBondContact O-N 3.27Å; V225-V227 VanDerWaalsContact O-N 3.09Å; V227-D229 VanDerWaalsContact C-N 3.29Å; V227-D229 PolarHBondContact O-N 3.45Å
228	P	28.5	Very low	28	Very low	121 Å²	121	141.5 Å²	141.5	79%	0.786	76%	0.76	S	S	*	*			trans	-71.7	93.1	165	-5.1	21.6	0	0	0	107.4	M230	P228-M230 PolarHBondContact O-N 2.97Å
229	D	26.8	Very low	28.3	Very low	136 Å²	136	141.9 Å²	141.9	73%	0.727	76%	0.763	S	S	*	*			trans	-70.3	115.4	172.1	-112	-11.7	0	0	0	109.1	V227 V231	V227-D229 VanDerWaalsContact C-N 3.29Å; V227-D229 PolarHBondContact O-N 3.45Å; D229-V231 PolarHBondContact O-N 3.43Å; D229-V231 VanDerWaalsContact O-N 3.07Å
230	M	28.4	Very low	28.5	Very low	176 Å²	176	142 Å²	142	87%	0.867	76%	0.759	S	S	*	*			trans	-69.6	96.4	164.8	-71.5	-179.5	95.1	0	0	108.6	P228 C232	P228-M230 PolarHBondContact O-N 2.97Å; M230-C232 PolarHBondContact O-N 2.83Å
231	V	28.8	Very low	28.8	Very low	125 Å²	125	137.7 Å²	137.7	76%	0.758	76%	0.755	S	S	*	*			trans	-81.6	94.7	171.5	-178.7	0	0	0	0	109.4	D229	D229-V231 PolarHBondContact O-N 3.43Å; D229-V231 VanDerWaalsContact O-N 3.07Å
232	C	29.2	Very low	29.1	Very low	102 Å²	102	135.9 Å²	135.9	69%	0.689	75%	0.749	S	S	*	*			trans	-80.1	108.6	160	-71.6	0	0	0	0	109.1	M230 N234	M230-C232 PolarHBondContact O-N 2.83Å; C232-N234 PolarHBondContact O-N 3.08Å
233	R	30.6	Very low	29	Very low	224 Å²	224	134.5 Å²	134.5	85%	0.845	75%	0.751	S	S	*	*			trans	-70.6	95.9	165.4	-90.4	-176.3	174	163.9	-0.4	109.5
234	N	27.4	Very low	29.4	Very low	143 Å²	143	139.5 Å²	139.5	77%	0.765	76%	0.756	S	S	*	*			trans	-106.5	85.6	159.3	-78.7	-19.6	0	0	0	108.7	C232 S236	C232-N234 PolarHBondContact O-N 3.08Å; N234-S236 PolarHBondContact O-N 3.5Å
235	N	30.9	Very low	29.4	Very low	143 Å²	143	139.4 Å²	139.4	77%	0.765	76%	0.761	S	S	*	*			trans	-83.2	98.8	162.1	-74.7	1.4	0	0	0	107.7	H237	N235-H237 PolarHBondContact O-N 3.34Å
236	S	29.5	Very low	29.7	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	75%	0.753	S	S	*	*			trans	-67.2	117.5	162.2	32.3	0	0	0	0	108.9	N234	N234-S236 PolarHBondContact O-N 3.5Å
237	H	35.2	Very low	30.1	Very low	180 Å²	180	139.6 Å²	139.6	83%	0.833	76%	0.76	S	S	*	*			trans	-129.2	106.1	149.8	-83.9	-63.9	0	0	0	108.7	N235 S239	N235-H237 PolarHBondContact O-N 3.34Å; H237-S239 PolarHBondContact O-N 2.89Å
238	T	27.2	Very low	30.2	Very low	118 Å²	118	142.4 Å²	142.4	72%	0.724	77%	0.772	S	S	*	*			trans	-47	124.2	162.9	-37.4	0	0	0	0	110.4
239	S	33.4	Very low	30.4	Very low	114 Å²	114	147.4 Å²	147.4	80%	0.797	78%	0.775	S	S	*	*			trans	-146.1	111.9	142.4	61.8	0	0	0	0	107.7	H237	H237-S239 PolarHBondContact O-N 2.89Å
240	D	29.5	Very low	30.5	Very low	133 Å²	133	147.4 Å²	147.4	71%	0.711	77%	0.773	S	S	*	*			trans	-63.1	170.1	176.5	-63.5	-61.9	0	0	0	112.6
241	V	32.5	Very low	30.9	Very low	127 Å²	127	147.9 Å²	147.9	77%	0.77	78%	0.778	S	S	*	*			trans	96.6	123	143.4	-133	0	0	0	0	119.5
242	I	31	Very low	31.2	Very low	147 Å²	147	148.1 Å²	148.1	75%	0.754	78%	0.775	S	S	*	*			trans	92.1	105.3	147.9	-37.8	-179.9	0	0	0	118.5
243	S	27.1	Very low	31.2	Very low	106 Å²	106	151.2 Å²	151.2	74%	0.741	78%	0.779	S	S	*	*			trans	-69.3	138.1	151.6	57	0	0	0	0	112.1
244	Y	31.9	Very low	31.5	Very low	209 Å²	209	145.9 Å²	145.9	82%	0.82	78%	0.776	S	S	*	*			trans	-164	134.6	145.6	-148.1	-102.4	0	0	0	111.9
245	N	28	Very low	31.7	Very low	155 Å²	155	145.5 Å²	145.5	83%	0.829	77%	0.774	S	S	*	*			trans	-88	136.1	167.4	-75.2	-28.6	0	0	0	109.9
246	S	33.1	Very low	32.1	Very low	93 Å²	93	147.7 Å²	147.7	65%	0.65	78%	0.779	S	S	*	*			trans	-177.1	112.2	150	54.9	0	0	0	0	109.2
247	E	34.6	Very low	32.3	Very low	186 Å²	186	150.1 Å²	150.1	87%	0.869	79%	0.785	S	S	*	*				76	118.2	102.7	-73.6	-171.9	157	0	0	117.3
248	N	29.8	Very low	32.2	Very low	153 Å²	153	150.8 Å²	150.8	82%	0.818	79%	0.788	S	S	*	*			trans	10.3	127.4	145.9	-67.2	-25.3	0	0	0	120.2
249	R	33.9	Very low	32.4	Very low	226 Å²	226	153.1 Å²	153.1	85%	0.853	79%	0.788	S	S	*	*				169.9	129.3	108.2	-98.6	178.7	150.2	-154.4	-6.5	113.2
250	M	28.5	Very low	32.5	Very low	136 Å²	136	153.6 Å²	153.6	67%	0.67	79%	0.789	S	S	*	*			trans	45.7	118.4	140.3	-58.1	-173.8	81.9	0	0	119.9
251	L	36	Very low	32.5	Very low	186 Å²	186	152.9 Å²	152.9	97%	0.974	79%	0.785	S	S	*	*				-145.1	126.3	124	-77.7	-174.3	0	0	0	109.9
252	D	36.6	Very low	32.6	Very low	130 Å²	130	152 Å²	152	70%	0.695	79%	0.785	S	S	*	*			trans	-87.4	162.4	-175.5	-113.1	-36.4	0	0	0	112.7
253	E	28.3	Very low	32.7	Very low	166 Å²	166	151.5 Å²	151.5	78%	0.776	79%	0.788	S	S	*	*			trans	64.2	117.5	151.2	-73.6	-179.4	148.4	0	0	122
254	S	36.3	Very low	32.8	Very low	113 Å²	113	154 Å²	154	79%	0.79	79%	0.789	S	S	*	*				-153.2	110.9	121.6	69	0	0	0	0	111.2
255	N	32.9	Very low	32.9	Very low	135 Å²	135	150.5 Å²	150.5	72%	0.722	79%	0.79	S	S	*	*			trans	-82.3	136.8	165.4	-78	-50.5	0	0	0	110
256	H	38.5	Very low	33	Very low	188 Å²	188	149.4 Å²	149.4	87%	0.87	78%	0.784	S	S	*	*			trans	-139.5	112.5	156.4	-87.7	-55.4	0	0	0	110.7
257	D	33.6	Very low	33.1	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	79%	0.794	S	S	*	*			trans	-61.9	134.9	166.3	-65.5	-60.6	0	0	0	112
258	Q	34.6	Very low	33.2	Very low	194 Å²	194	151 Å²	151	91%	0.907	79%	0.79	S	S	*	*			trans	-166.7	115.8	137.1	-125.7	171.4	-21.2	0	0	113.3
259	K	31.3	Very low	33.2	Very low	166 Å²	166	153 Å²	153	72%	0.722	79%	0.792	S	S	*	*			trans	-86.2	155	157.8	-155.8	-172.9	-169.4	-170.9	0	108.4	N261	K259-N261 WeakPolarHBondContact CE-OD1 3.48Å; K259-N261 PolarHBondContact NZ-OD1 2.91Å
260	P	35.7	Very low	33.6	Very low	124 Å²	124	148.1 Å²	148.1	81%	0.805	79%	0.79	S	S	*	*				-144.4	161.1	103.9	31.6	-13	0	0	0	115.3
261	N	28.6	Very low	33.9	Very low	119 Å²	119	148.4 Å²	148.4	64%	0.636	79%	0.794	S	S	*	*			trans	-68.2	159.1	179.9	-48.1	-56.5	0	0	0	113.6	K259	K259-N261 WeakPolarHBondContact CE-OD1 3.48Å; K259-N261 PolarHBondContact NZ-OD1 2.91Å
262	S	34	Very low	33.7	Very low	109 Å²	109	147.2 Å²	147.2	76%	0.762	79%	0.788	S	S	*	*				174.4	126	122.8	54.8	0	0	0	0	114.7
263	V	33.4	Very low	33.7	Very low	135 Å²	135	145.9 Å²	145.9	82%	0.818	79%	0.787	S	S	*	*			trans	78.6	97.1	141.3	-178	0	0	0	0	117.1
264	M	30.3	Very low	33.8	Very low	158 Å²	158	146 Å²	146	78%	0.778	79%	0.792	S	S	*	*				62.8	118.2	86.6	-85.3	-159	64.6	0	0	115.9
265	V	33.6	Very low	33.8	Very low	137 Å²	137	145.3 Å²	145.3	83%	0.83	79%	0.785	S	S	*	*				-167	124.2	114.4	164.3	0	0	0	0	109.3
266	D	29.2	Very low	33.7	Very low	131 Å²	131	145.3 Å²	145.3	70%	0.701	79%	0.785	S	S	*	*			trans	-51.8	141.6	162.8	-87.5	-46.8	0	0	0	112.9
267	V	35.5	Very low	33.3	Very low	141 Å²	141	144.8 Å²	144.8	86%	0.855	78%	0.783	S	S	*	*			trans	-147.4	129.1	130.4	-176.1	0	0	0	0	108.7
268	E	36.2	Very low	33.3	Very low	171 Å²	171	144 Å²	144	80%	0.799	78%	0.784	S	S	*	*			trans	-64.1	151.1	-175	-63.7	153.5	139.5	0	0	114.6
269	F	31.2	Very low	32.9	Very low	197 Å²	197	141.3 Å²	141.3	86%	0.864	78%	0.775	S	S	*	*			trans	-67.2	160.4	153.3	-75.5	-91.7	0	0	0	109.5
270	P	40.4	Very low	33.1	Very low	123 Å²	123	141.5 Å²	141.5	80%	0.799	78%	0.784	S	S	*	*				-140.5	155.1	118.3	33.9	-19.5	0	0	0	115.1
271	D	35.9	Very low	32.9	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	78%	0.776	S	S	*	*			trans	-66.2	165.8	173.8	-61.9	-66	0	0	0	114.9
272	D	31.9	Very low	33.3	Very low	160 Å²	160	146.7 Å²	146.7	86%	0.856	79%	0.791	S	S	*	*			trans	103.2	148.7	143.7	-85.7	-4.5	0	0	0	123
273	P	36.5	Very low	33.1	Very low	103 Å²	103	148.3 Å²	148.3	67%	0.669	79%	0.786	S	S	*	*			trans	-111.9	155.3	-149	40.2	-29.4	0	0	0	116
274	L	30.8	Very low	33.2	Very low	168 Å²	168	151 Å²	151	88%	0.88	79%	0.79	S	S	*	*			trans	34.6	168.1	153.2	-76.1	167.9	0	0	0	121.2
275	P	36.9	Very low	33.2	Very low	98 Å²	98	149.4 Å²	149.4	64%	0.636	78%	0.784	S	S	*	*			cis	-131.8	-171.3	-26.6	31.8	-9.4	0	0	0	113.5
276	N	30	Very low	33.3	Very low	135 Å²	135	150.3 Å²	150.3	72%	0.722	78%	0.783	S	S	*	*			trans	114.1	118.8	153.5	-65	-1.2	0	0	0	119.4
277	E	30	Very low	33.4	Very low	177 Å²	177	148.7 Å²	148.7	83%	0.827	78%	0.782	S	S	*	*			trans	38.4	128.6	136.7	-64	-179.8	153	0	0	120.4
278	T	32.9	Very low	33.2	Very low	137 Å²	137	150.6 Å²	150.6	84%	0.84	78%	0.781	S	S	*	*				-169.6	136.8	111.7	-62.6	0	0	0	0	111.1
279	L	27.6	Very low	33	Very low	137 Å²	137	150.8 Å²	150.8	72%	0.717	78%	0.783	S	S	*	*			trans	-39.3	155.9	170.8	-73.6	144.6	0	0	0	118
280	N	34.3	Very low	33	Very low	170 Å²	170	145.4 Å²	145.4	91%	0.909	77%	0.769	S	S	*	*				-148.7	117.8	129.3	-90.9	-31	0	0	0	110.9
281	Q	32.5	Very low	32.5	Very low	136 Å²	136	146.3 Å²	146.3	64%	0.636	77%	0.767	S	S	*	*			trans	-63.4	155.6	170.5	-74.3	169.5	-38.8	0	0	111.7
282	F	36.2	Very low	32.2	Very low	216 Å²	216	144.1 Å²	144.1	95%	0.947	76%	0.763	S	S	*	*				-157.6	142.7	113.2	-81.7	-66.4	0	0	0	109.6
283	E	29.4	Very low	32.1	Very low	142 Å²	142	142.7 Å²	142.7	66%	0.664	76%	0.756	S	S	*	*			trans	-124.1	139.3	-160.1	173.6	-178.1	-159.7	0	0	106.8	N285	E283-N285 PolarHBondContact OE1-ND2 2.94Å
284	E	36	Very low	31.7	Very low	191 Å²	191	144 Å²	144	89%	0.893	76%	0.756	S	S	*	*			trans	-155.1	120.3	150.2	-145.8	169.9	-172.7	0	0	111.1
285	N	30	Very low	31.5	Very low	125 Å²	125	142.9 Å²	142.9	67%	0.668	75%	0.749	S	S	*	*			trans	-103.6	139.8	-177.7	-62.6	-62	0	0	0	110.3	E283	E283-N285 PolarHBondContact OE1-ND2 2.94Å
286	I	35.3	Very low	31.1	Very low	157 Å²	157	143.1 Å²	143.1	81%	0.805	75%	0.753	S	S	*	*			trans	-166.5	106.3	144.8	1.9	166	0	0	0	107.5
287	S	32.6	Very low	30.9	Very low	97 Å²	97	141.4 Å²	141.4	68%	0.678	75%	0.752	S	S	*	*				48.5	141.3	85.7	114.7	0	0	0	0	113.2
288	E	30.6	Very low	30.8	Very low	180 Å²	180	138.9 Å²	138.9	84%	0.841	75%	0.748	S	S	*	*			cis	-172.8	177.6	6.9	-120.9	168.7	168.8	0	0	106.2
289	E	32	Very low	30.5	Very low	176 Å²	176	137.7 Å²	137.7	82%	0.822	75%	0.745	S	S	*	*			trans	98.8	84.3	150.3	-132.1	167.1	-156	0	0	121.1
290	S	31.7	Very low	30.7	Very low	84 Å²	84	134.6 Å²	134.6	59%	0.587	75%	0.746	S	S	*	*				27.7	140.4	117.7	65.4	0	0	0	0	125.1
291	N	29.6	Very low	30.6	Very low	141 Å²	141	132.1 Å²	132.1	75%	0.754	74%	0.739	S	S	*	*			trans	79	115.3	141.7	-58.1	-18.2	0	0	0	119.4
292	S	30.6	Very low	30.3	Very low	97 Å²	97	133.3 Å²	133.3	68%	0.678	75%	0.745	S	S	*	*				77.8	131.8	109.4	90.4	0	0	0	0	111.4
293	D	29.3	Very low	30	Very low	130 Å²	130	130.6 Å²	130.6	70%	0.695	74%	0.74	S	S	*	*				168.4	160.5	56.9	-118.1	-35	0	0	0	107.8
294	I	28.3	Very low	29.9	Very low	130 Å²	130	130.8 Å²	130.8	67%	0.667	74%	0.741	S	S	*	*			trans	84.5	106.4	137.6	-67.3	165.7	0	0	0	121.6
295	I	26.4	Very low	29.7	Very low	144 Å²	144	131.5 Å²	131.5	74%	0.738	74%	0.742	S	S	*	*				53.8	121.8	121.5	-50.4	172.2	0	0	0	120
296	S	28.2	Very low	29.5	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	74%	0.743	S	S	*	*				159.1	107.4	118.9	49.1	0	0	0	0	109.5
297	S	25.8	Very low	29.1	Very low	99 Å²	99	128.3 Å²	128.3	69%	0.692	73%	0.731	S	S	*	*				77.8	137.1	75	72.4	0	0	0	0	114.8
298	V	26.7	Very low	29.1	Very low	124 Å²	124	131 Å²	131	75%	0.752	74%	0.738	S	S	*	*			trans	103.4	118.6	148	-170.3	0	0	0	0	119.1
299	S	27.7	Very low	28.9	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	73%	0.732	S	S	*	*			trans	87.7	119.4	140.5	60.1	0	0	0	0	122.3
300	G	32	Very low	28.8	Very low	71 Å²	71	128 Å²	128	73%	0.732	73%	0.732	S	S	*	*			trans	-72	-167.4	162.2	0	0	0	0	0	113.6
301	P	32.4	Very low	28.7	Very low	118 Å²	118	129.4 Å²	129.4	77%	0.766	74%	0.739	S	S	*	*				-144.6	165.2	71	31.5	-10.1	0	0	0	116.7
302	H	24.9	Very low	28.7	Very low	161 Å²	161	130.6 Å²	130.6	75%	0.745	74%	0.739	S	S	*	*			trans	23.9	125.9	142.7	-63.3	-86.4	0	0	0	120.2
303	N	31.1	Very low	28.5	Very low	159 Å²	159	133.5 Å²	133.5	85%	0.85	74%	0.742	S	S	*	*				-152.2	101.3	129.4	-90.2	-25.4	0	0	0	109.5
304	E	25.6	Very low	28.6	Very low	147 Å²	147	133 Å²	133	69%	0.687	75%	0.748	S	S	*	*			trans	-53.4	134.1	157.5	-74.1	167.1	127.4	0	0	109.5
305	F	32.6	Very low	28.5	Very low	206 Å²	206	133.4 Å²	133.4	90%	0.904	75%	0.747	S	S	*	*			trans	-143.9	132.6	133.8	-86.6	-71.1	0	0	0	109.5
306	I	25.9	Very low	28.5	Very low	137 Å²	137	133.7 Å²	133.7	70%	0.703	74%	0.742	S	S	*	*			trans	-87.5	160.1	-159.4	-75.5	160.2	0	0	0	111.2
307	S	27.5	Very low	28.4	Very low	78 Å²	78	139.1 Å²	139.1	55%	0.545	75%	0.748	S	S	.	*			trans	-8.9	151.6	170.2	72.8	0	0	0	0	120.2
308	N	31.8	Very low	28.4	Very low	153 Å²	153	138.9 Å²	138.9	82%	0.818	74%	0.743	S	S	*	*				-159.5	129.4	106.1	-86.2	-23.8	0	0	0	112.3
309	D	26.7	Very low	28.3	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	74%	0.744	S	S	*	*			trans	-55.9	144.6	170.3	-56.9	-69.6	0	0	0	112.8
310	I	30.4	Very low	28.4	Very low	158 Å²	158	143.3 Å²	143.3	81%	0.81	75%	0.747	S	S	*	*			trans	-140	103.9	142.2	-56.6	-178.5	0	0	0	108
311	P	28.2	Very low	28.1	Very low	113 Å²	113	147.7 Å²	147.7	73%	0.734	75%	0.749	S	S	*	*			trans	-83.4	145.5	157.2	34.3	-26.3	0	0	0	108.2
312	H	30.5	Very low	27.8	Very low	166 Å²	166	148.5 Å²	148.5	77%	0.769	75%	0.746	S	S	*	*			trans	-133.6	101.2	161.8	-147.4	-63.2	0	0	0	109.6
313	E	26.6	Very low	27.7	Very low	158 Å²	158	147.6 Å²	147.6	74%	0.738	75%	0.746	S	S	*	*			trans	-57.4	137.9	156.7	-79.2	175.6	127	0	0	109.9
314	C	30.8	Very low	27.4	Very low	120 Å²	120	145.1 Å²	145.1	81%	0.811	74%	0.742	S	S	*	*			trans	-132.9	91.1	140.6	-85.4	0	0	0	0	106.8
315	E	26.2	Very low	27.4	Very low	138 Å²	138	142.4 Å²	142.4	65%	0.645	74%	0.739	S	S	*	*			trans	-12.3	152.4	134.7	-73.6	-163.8	122.4	0	0	114.5
316	K	26.2	Very low	27	Very low	150 Å²	150	140.6 Å²	140.6	65%	0.652	73%	0.733	S	S	*	*			cis	164.8	175.6	8.8	-177	-179.2	-146.8	156.2	0	103.1
317	Y	26.5	Very low	27.1	Very low	217 Å²	217	142.2 Å²	142.2	85%	0.851	74%	0.741	S	S	*	*			trans	88	128.5	178.9	-54.5	-74.4	0	0	0	115.3
318	V	26.6	Very low	26.9	Very low	95 Å²	95	142.4 Å²	142.4	58%	0.576	74%	0.742	S	S	*	*			cis	-161.2	138.4	-6.1	148.2	0	0	0	0	105.4	Y320	V318-Y320 HydrophobicContact CG1-CD2 3.72Å; V318-Y320 HydrophobicContact CG1-CE2 3.56Å
319	S	23.8	Very low	26.6	Very low	110 Å²	110	142.4 Å²	142.4	77%	0.769	74%	0.742	S	S	*	*			trans	-63.5	131.7	164.3	-53.9	0	0	0	0	110.8
320	Y	29.6	Very low	26.5	Very low	219 Å²	219	141.6 Å²	141.6	86%	0.859	74%	0.742	S	S	*	*			trans	-120.2	110.3	155.2	-89.5	-77.3	0	0	0	109.7	V318	V318-Y320 HydrophobicContact CG1-CD2 3.72Å; V318-Y320 HydrophobicContact CG1-CE2 3.56Å
321	E	26.1	Very low	26.2	Very low	163 Å²	163	141.9 Å²	141.9	76%	0.762	74%	0.744	S	S	*	*			trans	-62.8	146.5	169.4	-78.6	173.9	133.5	0	0	112.6
322	L	25.4	Very low	26.1	Very low	134 Å²	134	141.7 Å²	141.7	70%	0.702	74%	0.74	S	S	*	*			trans	45.8	118.6	131.8	-60.3	166.7	0	0	0	118.6
323	N	23.3	Very low	25.8	Very low	142 Å²	142	138.4 Å²	138.4	76%	0.759	74%	0.736	S	S	*	*				164.3	137.8	96.8	-90.6	-42.7	0	0	0	113.6
324	S	25.3	Very low	25.8	Very low	108 Å²	108	141.7 Å²	141.7	76%	0.755	74%	0.743	S	S	*	*			trans	71.9	135.5	140.1	-156.9	0	0	0	0	116.7
325	S	25.4	Very low	25.4	Very low	89 Å²	89	142.6 Å²	142.6	62%	0.622	74%	0.744	S	S	*	*			cis	-169.3	148.5	14.1	15.2	0	0	0	0	108.7
326	H	24.9	Very low	25.4	Very low	169 Å²	169	138.9 Å²	138.9	78%	0.782	74%	0.744	S	S	*	*			trans	46.4	112.4	143.4	-64.2	-74.5	0	0	0	119.8
327	I	27.2	Very low	25.4	Very low	170 Å²	170	142.9 Å²	142.9	87%	0.872	76%	0.756	S	S	*	*				-165.2	121.6	99.7	-87.7	152.1	0	0	0	108.4
328	S	24.1	Very low	25.2	Very low	82 Å²	82	137.6 Å²	137.6	57%	0.573	75%	0.751	S	S	*	*			trans	-61.7	150.2	173.8	-34.4	0	0	0	0	111.4
329	D	25	Very low	25.3	Very low	153 Å²	153	140.8 Å²	140.8	82%	0.818	76%	0.76	S	S	*	*				179.2	116.9	115.9	-83.9	-18.5	0	0	0	113.4
330	V	24.4	Very low	25.4	Very low	120 Å²	120	144.7 Å²	144.7	73%	0.727	77%	0.766	S	S	*	*			trans	69.3	86	146.4	-167.3	0	0	0	0	118.1	V332	V330-V332 HydrophobicContact CG1-CG2 3.97Å
331	I	23.4	Very low	25.2	Very low	164 Å²	164	141.7 Å²	141.7	84%	0.841	76%	0.759	S	S	*	*			trans	-106.2	110.6	147.9	-63.9	177.9	0	0	0	107	S333	I331-S333 PolarHBondContact O-N 3.36Å
332	V	27.5	Very low	25.1	Very low	108 Å²	108	139.1 Å²	139.1	66%	0.655	76%	0.758	S	S	*	*			trans	-77.2	114.8	169.8	173.1	0	0	0	0	108.1	V330 Y334	V330-V332 HydrophobicContact CG1-CG2 3.97Å; V332-Y334 HydrophobicContact CG1-CD2 4.36Å
333	S	22.7	Very low	25.1	Very low	98 Å²	98	140.3 Å²	140.3	69%	0.685	76%	0.762	S	S	*	*			trans	-65.2	131.7	167.8	-52.3	0	0	0	0	110.6	I331	I331-S333 PolarHBondContact O-N 3.36Å
334	Y	26.9	Very low	25.2	Very low	227 Å²	227	141 Å²	141	89%	0.89	77%	0.765	S	S	*	*			trans	-120.2	133	151.3	-106.6	-89.6	0	0	0	109.8	V332	V332-Y334 HydrophobicContact CG1-CD2 4.36Å
335	V	23.6	Very low	25.2	Very low	138 Å²	138	142 Å²	142	84%	0.836	76%	0.762	S	S	*	*			trans	-94.4	152	-166.3	166.6	0	0	0	0	111.1
336	G	25.1	Very low	25.2	Very low	61 Å²	61	149.6 Å²	149.6	63%	0.629	78%	0.777	S	S	*	*			trans	107.5	123.1	156.2	0	0	0	0	0	113.6
337	Y	26.3	Very low	25.4	Very low	233 Å²	233	149 Å²	149	91%	0.914	78%	0.778	S	S	*	*			cis	-151.4	143.7	22.7	-97.5	-99.5	0	0	0	110.7
338	S	23.2	Very low	25.3	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	77%	0.772	S	S	*	*			trans	-78.1	141.3	164.9	52.1	0	0	0	0	111.4
339	H	28.2	Very low	25.2	Very low	162 Å²	162	147.6 Å²	147.6	75%	0.75	78%	0.78	S	S	*	*			trans	-136.6	78	154.6	-156.9	69.8	0	0	0	110.6
340	E	25.5	Very low	25.3	Very low	192 Å²	192	149.9 Å²	149.9	90%	0.897	79%	0.786	S	S	*	*			trans	-95.7	112.1	145.3	-73.7	-161.7	172.3	0	0	107.1
341	Q	26.1	Very low	25.5	Very low	156 Å²	156	147.2 Å²	147.2	73%	0.729	78%	0.783	S	S	*	*			trans	-149.6	83.3	160.6	-125.9	169.7	9.1	0	0	110.4
342	C	23.2	Very low	25.7	Very low	108 Å²	108	149.5 Å²	149.5	73%	0.73	78%	0.783	S	S	*	*				10.7	111.5	126.7	-150	0	0	0	0	116
343	M	26.9	Very low	25.9	Very low	159 Å²	159	150 Å²	150	78%	0.783	78%	0.782	S	S	*	*			trans	-149.6	92.4	141.8	-80.8	-55.9	-87.8	0	0	109.3
344	L	23.9	Very low	26.4	Very low	157 Å²	157	151 Å²	151	82%	0.822	78%	0.779	S	S	*	*			trans	-55.5	125.4	149	-80.6	152.6	0	0	0	108.2
345	N	26.6	Very low	26.7	Very low	130 Å²	130	146.3 Å²	146.3	70%	0.695	77%	0.774	S	S	*	*			trans	-141.2	102.7	153.9	-91.7	-25.2	0	0	0	109.5
346	R	24.7	Very low	27.2	Very low	248 Å²	248	148.8 Å²	148.8	94%	0.936	78%	0.777	S	S	*	*			trans	-53.5	130.7	155.3	-88.1	173.7	166.7	162.5	-4.5	108.5
347	I	28.5	Very low	27.4	Very low	156 Å²	156	148.9 Å²	148.9	80%	0.8	78%	0.778	S	S	*	*			trans	-126.4	125.8	155.7	-58.9	-178.9	0	0	0	107.7
348	P	25	Very low	27.7	Very low	116 Å²	116	146 Å²	146	75%	0.753	78%	0.776	S	S	*	*			trans	-83.7	150.4	179.4	33.2	-30.8	0	0	0	112.2
349	S	23.7	Very low	28	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	77%	0.772	S	S	*	*			trans	-59.7	139.3	170.6	51.9	0	0	0	0	113.6
350	Q	26.6	Very low	28	Very low	200 Å²	200	145.5 Å²	145.5	94%	0.935	77%	0.773	S	S	*	*				172	128.1	128.8	-96.2	177	8.6	0	0	113.1
351	G	28.1	Very low	28.2	Very low	65 Å²	65	145.7 Å²	145.7	67%	0.67	77%	0.771	S	S	*	*				112.3	103.7	126.7	0	0	0	0	0	121
352	Y	28.6	Very low	28.1	Very low	211 Å²	211	143.9 Å²	143.9	83%	0.827	78%	0.776	S	S	*	*			trans	65	110.6	138.7	-73.3	-87.6	0	0	0	120.1
353	N	31.5	Very low	28.5	Very low	120 Å²	120	148.1 Å²	148.1	64%	0.642	79%	0.785	S	S	*	*				81.8	138.1	95.1	-79	36.1	0	0	0	112.7
354	D	32.7	Very low	28.4	Very low	117 Å²	117	144.6 Å²	144.6	63%	0.626	78%	0.782	S	S	*	*			cis	-166.1	149.6	10.1	-95.1	-33	0	0	0	108.5
355	T	33	Very low	28.6	Very low	129 Å²	129	144 Å²	144	79%	0.791	78%	0.784	S	S	*	*			trans	63.1	138.9	148.1	59.7	0	0	0	0	119.3
356	E	34.3	Very low	28.6	Very low	191 Å²	191	148.9 Å²	148.9	89%	0.893	79%	0.793	S	S	*	*			cis	-170.6	140.5	37.2	-164.7	170	-172.2	0	0	111.1
357	G	28.9	Very low	28.7	Very low	63 Å²	63	145.2 Å²	145.2	65%	0.649	79%	0.787	S	S	*	*			trans	80.9	104	141.5	0	0	0	0	0	121.9
358	I	33	Very low	28.6	Very low	171 Å²	171	143.8 Å²	143.8	88%	0.877	79%	0.787	S	S	*	*				160.1	104.2	113.8	-75.1	159.8	0	0	0	111.4
359	A	28.9	Very low	28.5	Very low	79 Å²	79	144.6 Å²	144.6	65%	0.653	79%	0.79	S	S	*	*			trans	44	121.6	137.2	0	0	0	0	0	124.3
360	K	29.3	Very low	28.6	Very low	181 Å²	181	145.2 Å²	145.2	79%	0.787	79%	0.793	S	S	*	*			trans	75.7	132.3	142.3	-62.2	173.1	-179.4	-177.5	0	116.9
361	F	28.6	Very low	28.5	Very low	195 Å²	195	141 Å²	141	86%	0.855	78%	0.783	S	S	*	*			cis	-144.9	154.9	24.7	-92.5	-88.4	0	0	0	111.4
362	S	25.2	Very low	28.2	Very low	119 Å²	119	147.3 Å²	147.3	83%	0.832	80%	0.795	S	S	*	*			trans	-88.5	131.8	-178.3	-29.6	0	0	0	0	112
363	E	29.7	Very low	28	Very low	196 Å²	196	142.1 Å²	142.1	92%	0.916	79%	0.785	S	S	*	*			trans	-151	126	144.8	-153.7	147.5	-151.9	0	0	110.7
364	A	26.2	Very low	27.6	Very low	86 Å²	86	146.1 Å²	146.1	71%	0.711	80%	0.797	S	S	*	*			trans	-87.3	114.8	-161.8	0	0	0	0	0	112.1	R366	A364-R366 PolarHBondContact O-N 2.81Å
365	T	27.2	Very low	27.4	Very low	143 Å²	143	148.9 Å²	148.9	88%	0.877	80%	0.803	S	S	*	*			trans	-71.9	88.9	162.1	-30.8	0	0	0	0	108.7
366	R	26.2	Very low	26.9	Very low	234 Å²	234	147.4 Å²	147.4	88%	0.883	81%	0.805	S	S	*	*			trans	-87.5	102.5	165.1	-85.7	-175.6	171.6	165.1	-1.6	108.7	A364	A364-R366 PolarHBondContact O-N 2.81Å
367	E	27.1	Very low	26.4	Very low	171 Å²	171	147.6 Å²	147.6	80%	0.799	81%	0.806	S	S	*	*			trans	-60.9	131.7	161.7	-80.3	-168.8	146.8	0	0	109.7	V369	E367-V369 PolarHBondContact O-N 3Å
368	P	25.9	Very low	26.3	Very low	125 Å²	125	151.2 Å²	151.2	81%	0.812	82%	0.815	S	S	*	*			trans	-78.2	109.8	170	29.4	-27.7	0	0	0	109.5
369	V	23.4	Very low	25.9	Very low	133 Å²	133	152.2 Å²	152.2	81%	0.806	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.8	120.8	166.5	176.6	0	0	0	0	108.8	E367	E367-V369 PolarHBondContact O-N 3Å
370	C	25.8	Very low	26	Very low	120 Å²	120	155.1 Å²	155.1	81%	0.811	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-77.1	128.8	172.7	-104.4	0	0	0	0	110.8
371	P	24.8	Very low	26.1	Very low	111 Å²	111	151.2 Å²	151.2	72%	0.721	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-78.4	131.9	174.3	28.5	-29.2	0	0	0	112	V373	P371-V373 PolarHBondContact O-N 2.82Å
372	E	21.9	Very low	26.2	Very low	198 Å²	198	148.6 Å²	148.6	93%	0.925	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63.1	116.8	169.1	-81.2	-176.9	142.7	0	0	110.9
373	V	25.3	Very low	26.5	Very low	103 Å²	103	152 Å²	152	62%	0.624	81%	0.812	S	S	*	*			trans	-108.8	109.4	173.8	-175.8	0	0	0	0	110.1	P371 F375	P371-V373 PolarHBondContact O-N 2.82Å; V373-F375 HydrophobicContact CG1-CE2 4.3Å; V373-F375 HydrophobicContact CG1-CZ 4.24Å
374	K	22.9	Very low	26.4	Very low	203 Å²	203	148.5 Å²	148.5	88%	0.883	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.2	129.1	168.9	-71.1	178.7	177.9	175.3	0	109.9
375	F	27.7	Very low	26.6	Very low	175 Å²	175	153.7 Å²	153.7	77%	0.768	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-101.3	121	174.5	-74.4	-81.5	0	0	0	111.6	V373	V373-F375 HydrophobicContact CG1-CE2 4.3Å; V373-F375 HydrophobicContact CG1-CZ 4.24Å
376	A	23.3	Very low	26.6	Very low	99 Å²	99	153.4 Å²	153.4	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-82.3	139.9	166.2	0	0	0	0	0	110.7
377	Q	23.7	Very low	26.6	Very low	195 Å²	195	153.7 Å²	153.7	91%	0.911	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-90.9	134.7	172	-71.6	179.5	-17.2	0	0	109.8
378	T	25.7	Very low	26.6	Very low	139 Å²	139	151 Å²	151	85%	0.853	81%	0.806	S	S	*	*			trans	-149.2	142.3	158.9	-39.6	0	0	0	0	110.3
379	E	25.8	Very low	26.5	Very low	191 Å²	191	152.6 Å²	152.6	89%	0.893	81%	0.808	S	S	*	*			trans	-80	159	-162.4	-61.8	167.9	151.1	0	0	114.2
380	N	30.8	Very low	26.5	Very low	141 Å²	141	154.3 Å²	154.3	75%	0.754	81%	0.807	S	S	*	*			trans	-106.4	158.5	169.7	-173.6	10.2	0	0	0	108.9
381	P	31.2	Very low	26.5	Very low	98 Å²	98	158.8 Å²	158.8	64%	0.636	81%	0.808	S	S	*	*				-153.5	157.8	111.8	37.5	-18.5	0	0	0	118.8
382	N	30.7	Very low	26.5	Very low	141 Å²	141	162.1 Å²	162.1	75%	0.754	81%	0.814	S	S	*	*			trans	81.1	145.1	152.7	-52.9	-29.8	0	0	0	118.3
383	Q	32.1	Very low	26.6	Very low	191 Å²	191	157.4 Å²	157.4	89%	0.893	81%	0.809	S	S	*	*			cis	-162.5	164.9	27.6	-146.1	172.7	19.4	0	0	111.8
384	V	27.3	Very low	26.4	Very low	121 Å²	121	159.9 Å²	159.9	73%	0.733	82%	0.819	S	S	*	*			trans	-84	153.1	-170.6	171.8	0	0	0	0	114.2
385	Q	30.9	Very low	26.5	Very low	195 Å²	195	157.9 Å²	157.9	91%	0.911	81%	0.813	S	S	*	*			trans	-164.1	142.4	142.1	-107.7	169.3	24	0	0	114.6
386	D	26.3	Very low	26.3	Very low	137 Å²	137	155.5 Å²	155.5	73%	0.733	82%	0.816	S	S	*	*			trans	-71.8	159.3	-170.1	-63.4	-62.7	0	0	0	116.9
387	Y	27.2	Very low	26.3	Very low	241 Å²	241	158.9 Å²	158.9	95%	0.945	81%	0.813	S	S	*	*			trans	-163.1	152.3	137	-94.5	-75.6	0	0	0	111.6
388	P	25.4	Very low	26.3	Very low	115 Å²	115	155.1 Å²	155.1	75%	0.747	80%	0.798	S	S	*	*			trans	-97.7	165.1	-160.2	38.2	-32.2	0	0	0	115.8
389	N	24.7	Very low	26.2	Very low	158 Å²	158	157.1 Å²	157.1	85%	0.845	80%	0.796	S	S	*	*			trans	-56.8	145.5	179.7	-61.2	-32.2	0	0	0	114.4
390	E	23.4	Very low	26.1	Very low	169 Å²	169	155.2 Å²	155.2	79%	0.79	79%	0.792	S	S	*	*			trans	-177.4	161	132	-100.3	163.9	-156.2	0	0	109.5
391	Y	26.4	Very low	26	Very low	214 Å²	214	151.9 Å²	151.9	84%	0.839	78%	0.779	S	S	*	*			trans	114.3	126.8	170.1	-63.4	-76.7	0	0	0	118.7
392	E	24.1	Very low	25.9	Very low	180 Å²	180	151.2 Å²	151.2	84%	0.841	77%	0.766	S	S	*	*			trans	-69.5	150.6	-163.5	-71.8	158.2	132.3	0	0	113.9
393	A	23.5	Very low	25.5	Very low	100 Å²	100	149.5 Å²	149.5	83%	0.826	77%	0.771	S	S	*	*			trans	-83.4	109.8	175.5	0	0	0	0	0	110.1
394	D	22.5	Very low	25.2	Very low	155 Å²	155	143 Å²	143	83%	0.829	76%	0.756	S	S	*	*			trans	-89.7	120.4	162.2	-86.6	-26.8	0	0	0	109.9	C396	D394-C396 PolarHBondContact O-N 3.11Å
395	E	23	Very low	25.3	Very low	160 Å²	160	148.1 Å²	148.1	75%	0.748	77%	0.768	S	S	*	*			trans	-61.1	108	174.7	-69.2	176.6	143.9	0	0	111	F397	E395-F397 HydrophobicContact CB-CE2 4.44Å
396	C	24.5	Very low	25.2	Very low	125 Å²	125	141.3 Å²	141.3	85%	0.845	74%	0.742	S	S	*	*			trans	-102.6	105	165	-75	0	0	0	0	109.8	D394	D394-C396 PolarHBondContact O-N 3.11Å
397	F	22.9	Very low	25.5	Very low	171 Å²	171	137 Å²	137	75%	0.75	72%	0.723	S	S	*	*			trans	-59.6	128.9	174.6	-78.7	-98.8	0	0	0	111.8	E395	E395-F397 HydrophobicContact CB-CE2 4.44Å
398	L	24.7	Very low	25.6	Very low	115 Å²	115	131.6 Å²	131.6	60%	0.602	71%	0.709	S	S	*	*			trans	-101.4	87.5	-177	-166.3	88.7	0	0	0	110
399	F	23.4	Very low	25.9	Very low	182 Å²	182	131 Å²	131	80%	0.798	70%	0.703	S	S	*	*			trans	-116.2	-7.7	174.1	-94.9	-79.7	0	0	0	115.3
400	D	23.8	Very low	26.3	Very low	151 Å²	151	128 Å²	128	81%	0.807	68%	0.684	S	S	*	*	S	Bend	trans	-110	5.9	-165.2	-68.9	-28.9	0	0	0	116.8
401	C	29	Very low	26.7	Very low	71 Å²	71	120.5 Å²	120.5	48%	0.48	65%	0.65	S	S	.	*	S	Bend	trans	-97.6	1.1	-170.3	-68.5	0	0	0	0	117.2
402	F	27.4	Very low	26.9	Very low	84 Å²	84	115.6 Å²	115.6	37%	0.368	64%	0.635	S	S	.	*			trans	-106.6	8.9	-175.1	-72.4	-76.4	0	0	0	115.6	G404 S411 I415	F402-G404 PolarHBondContact O-N 3.26Å; F402-S411 VanDerWaalsContact CD1-CB 3.47Å; F402-I415 HydrophobicContact CE1-CD1 3.88Å; F402-I415 HydrophobicContact CE2-CD1 3.76Å; F402-I415 HydrophobicContact CZ-CD1 3.37Å; F402-I415 HydrophobicContact CZ-CG1 4.4Å
403	A	23.8	Very low	27.5	Very low	105 Å²	105	110.6 Å²	110.6	87%	0.868	62%	0.616	S	S	*	*			trans	-77.6	15.7	-176.3	0	0	0	0	0	115.5
404	G	24.4	Very low	27.9	Very low	55 Å²	55	111.2 Å²	111.2	57%	0.567	61%	0.605	S	S	*	*	S	Bend	trans	-114.1	95.6	-176	0	0	0	0	0	113.8	F402 S406	F402-G404 PolarHBondContact O-N 3.26Å; G404-S406 PolarHBondContact O-N 3.34Å
405	K	30.1	Very low	28.5	Very low	228 Å²	228	106.6 Å²	106.6	99%	0.991	58%	0.58	S	S	*	*	S	Bend	trans	59.4	6	163.5	-66.2	-174.5	177.1	179.7	0	119.2
406	S	29	Very low	29.3	Very low	52 Å²	52	102.6 Å²	102.6	36%	0.364	57%	0.566	S	S	.	*	S	Bend	trans	-111.9	142.6	169	47.7	0	0	0	0	108.9	G404 L408	G404-S406 PolarHBondContact O-N 3.34Å; S406-L408 PolarHBondContact O-N 2.96Å
407	S	33	Very low	29.6	Very low	47 Å²	47	103.8 Å²	103.8	33%	0.329	55%	0.554	S	S	.	*			trans	-61.3	141.8	175.2	67.9	0	0	0	0	109	V409 E410 S411	S407-V409 PolarHBondContact O-N 2.84Å; S407-E410 PolarHBondContact N-OE2 3.09Å; S407-E410 VanDerWaalsContact N-OE2 3.16Å; S407-E410 PolarHBondContact O-N 2.93Å; S407-E410 WeakPolarHBondContact OG-CB 3.4Å; S407-E410 VanDerWaalsContact OG-CD 3.31Å; S407-E410 WeakPolarHBondContact OG-CG 3.47Å; S407-E410 PolarHBondContact OG-N 3.27Å; S407-E410 PolarHBondContact OG-OE2 2.83Å; S407-S411 PolarHBondContact O-N 3.29Å
408	L	29.2	Very low	30.2	Very low	127 Å²	127	98.1 Å²	98.1	67%	0.665	53%	0.531	S	S	*	.	H	α-helix	trans	-52.3	-24.3	174.8	-88.2	155.9	0	0	0	112.2	S406 S411 H412	S406-L408 PolarHBondContact O-N 2.96Å; L408-S411 PolarHBondContact O-OG 3.48Å; L408-S411 VanDerWaalsContact O-OG 3.05Å; L408-H412 WeakPolarHBondContact O-CB 3.26Å; L408-H412 VanDerWaalsContact O-CG 3.3Å; L408-H412 PolarHBondContact O-N 3.17Å; L408-H412 PolarHBondContact O-ND1 2.99Å
409	V	31.8	Very low	30.6	Very low	101 Å²	101	97 Å²	97	61%	0.612	53%	0.526	S	S	*	.	H	α-helix	trans	-76.4	-44.7	177.9	-176.1	0	0	0	0	112.2	S407 S411 H412 V413	S407-V409 PolarHBondContact O-N 2.84Å; V409-S411 PolarHBondContact O-N 3.18Å; V409-H412 PolarHBondContact O-N 2.93Å; V409-V413 HydrophobicContact CG1-CG2 4.28Å; V409-V413 VanDerWaalsContact O-CG2 3.32Å; V409-V413 WeakPolarHBondContact O-CG2 3.43Å; V409-V413 PolarHBondContact O-N 3.36Å
410	E	33.1	Very low	31.1	Very low	97 Å²	97	90.4 Å²	90.4	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-39.7	-178.7	-76.4	166.8	137.6	0	0	112.4	S407 L414	S407-E410 PolarHBondContact N-OE2 3.09Å; S407-E410 VanDerWaalsContact N-OE2 3.16Å; S407-E410 PolarHBondContact O-N 2.93Å; S407-E410 WeakPolarHBondContact OG-CB 3.4Å; S407-E410 VanDerWaalsContact OG-CD 3.31Å; S407-E410 WeakPolarHBondContact OG-CG 3.47Å; S407-E410 PolarHBondContact OG-N 3.27Å; S407-E410 PolarHBondContact OG-OE2 2.83Å; E410-L414 WeakPolarHBondContact O-CB 3.23Å; E410-L414 PolarHBondContact O-N 3.34Å; E410-L414 VanDerWaalsContact O-N 3.07Å
411	S	31.2	Very low	31.6	Very low	10 Å²	10	87.9 Å²	87.9	7%	0.07	49%	0.485	C	S	.	.	H	α-helix	trans	-64	-44.1	173.2	55.3	0	0	0	0	111	F402 S407 L408 V409 V413 I415	F402-S411 VanDerWaalsContact CD1-CB 3.47Å; S407-S411 PolarHBondContact O-N 3.29Å; L408-S411 PolarHBondContact O-OG 3.48Å; L408-S411 VanDerWaalsContact O-OG 3.05Å; V409-S411 PolarHBondContact O-N 3.18Å; S411-V413 PolarHBondContact O-N 2.89Å; S411-I415 VanDerWaalsContact O-CB 3.26Å; S411-I415 WeakPolarHBondContact O-CB 3.4Å; S411-I415 WeakPolarHBondContact O-CD1 3.33Å; S411-I415 WeakPolarHBondContact O-CG1 3.49Å; S411-I415 PolarHBondContact O-N 3.27Å
412	H	31.7	Very low	31.7	Very low	112 Å²	112	86.9 Å²	86.9	52%	0.519	48%	0.478	S	S	.	.	H	α-helix	trans	-64.6	-39.7	177.6	-83.1	42.3	0	0	0	113.1	L408 V409 T416	L408-H412 WeakPolarHBondContact O-CB 3.26Å; L408-H412 VanDerWaalsContact O-CG 3.3Å; L408-H412 PolarHBondContact O-N 3.17Å; L408-H412 PolarHBondContact O-ND1 2.99Å; V409-H412 PolarHBondContact O-N 2.93Å; H412-T416 WeakPolarHBondContact O-CB 3.47Å; H412-T416 PolarHBondContact O-N 3.01Å; H412-T416 PolarHBondContact O-OG1 3.44Å
413	V	34.7	Very low	31.9	Very low	75 Å²	75	86.3 Å²	86.3	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-69.4	-43.7	179.2	173.4	0	0	0	0	111.2	V409 S411 T416 Y417	V409-V413 HydrophobicContact CG1-CG2 4.28Å; V409-V413 VanDerWaalsContact O-CG2 3.32Å; V409-V413 WeakPolarHBondContact O-CG2 3.43Å; V409-V413 PolarHBondContact O-N 3.36Å; S411-V413 PolarHBondContact O-N 2.89Å; V413-T416 PolarHBondContact O-N 2.96Å; V413-Y417 HydrophobicContact CG1-CD2 3.97Å; V413-Y417 HydrophobicContact CG1-CE2 4.32Å; V413-Y417 WeakPolarHBondContact O-CB 3.05Å; V413-Y417 PolarHBondContact O-N 3.34Å
414	L	33.7	Very low	32.2	Very low	113 Å²	113	85.7 Å²	85.7	59%	0.592	47%	0.469	S	S	*	.	H	α-helix	trans	-61.9	-47.3	176.6	-130.1	99.9	0	0	0	110.8	E410 T416 Y417 I418	E410-L414 WeakPolarHBondContact O-CB 3.23Å; E410-L414 PolarHBondContact O-N 3.34Å; E410-L414 VanDerWaalsContact O-N 3.07Å; L414-T416 PolarHBondContact O-N 2.88Å; L414-Y417 PolarHBondContact O-N 3.03Å; L414-I418 HydrophobicContact CD2-CD1 4.06Å; L414-I418 HydrophobicContact CG-CD1 4.41Å; L414-I418 VanDerWaalsContact O-CB 3.26Å; L414-I418 WeakPolarHBondContact O-CB 3.18Å; L414-I418 WeakPolarHBondContact O-CD1 3.48Å; L414-I418 WeakPolarHBondContact O-CG1 3.42Å; L414-I418 PolarHBondContact O-N 3.31Å
415	I	35.3	Very low	32.6	Very low	57 Å²	57	89.5 Å²	89.5	29%	0.292	47%	0.467	S	S	.	.	H	α-helix	trans	-64.1	-41.3	179.1	-67.4	163.5	0	0	0	110.8	F402 S411 I418 N419	F402-I415 HydrophobicContact CE1-CD1 3.88Å; F402-I415 HydrophobicContact CE2-CD1 3.76Å; F402-I415 HydrophobicContact CZ-CD1 3.37Å; F402-I415 HydrophobicContact CZ-CG1 4.4Å; S411-I415 VanDerWaalsContact O-CB 3.26Å; S411-I415 WeakPolarHBondContact O-CB 3.4Å; S411-I415 WeakPolarHBondContact O-CD1 3.33Å; S411-I415 WeakPolarHBondContact O-CG1 3.49Å; S411-I415 PolarHBondContact O-N 3.27Å; I415-I418 PolarHBondContact O-N 3.05Å; I415-N419 VanDerWaalsContact CG2-ND2 3.3Å; I415-N419 WeakPolarHBondContact CG2-ND2 2.95Å; I415-N419 WeakPolarHBondContact O-CB 3.45Å; I415-N419 PolarHBondContact O-N 3.36Å; I415-N419 PolarHBondContact O-ND2 3.02Å
416	T	38	Very low	32.6	Very low	76 Å²	76	83.3 Å²	83.3	47%	0.466	45%	0.453	S	S	.	.	H	α-helix	trans	-66.6	-41.3	178.6	-58.4	0	0	0	0	111.8	H412 V413 L414 A420	H412-T416 WeakPolarHBondContact O-CB 3.47Å; H412-T416 PolarHBondContact O-N 3.01Å; H412-T416 PolarHBondContact O-OG1 3.44Å; V413-T416 PolarHBondContact O-N 2.96Å; L414-T416 PolarHBondContact O-N 2.88Å; T416-A420 VanDerWaalsContact O-CB 3.23Å; T416-A420 WeakPolarHBondContact O-CB 3.36Å; T416-A420 PolarHBondContact O-N 2.92Å
417	Y	32.6	Very low	32.8	Very low	150 Å²	150	87.8 Å²	87.8	59%	0.588	47%	0.472	S	S	*	.	H	α-helix	trans	-69.8	-36.4	178.4	-100.6	-86.4	0	0	0	112.7	V413 L414	V413-Y417 HydrophobicContact CG1-CD2 3.97Å; V413-Y417 HydrophobicContact CG1-CE2 4.32Å; V413-Y417 WeakPolarHBondContact O-CB 3.05Å; V413-Y417 PolarHBondContact O-N 3.34Å; L414-Y417 PolarHBondContact O-N 3.03Å
418	I	35.4	Very low	32.7	Very low	52 Å²	52	92.3 Å²	92.3	27%	0.267	49%	0.49	S	S	.	.	H	α-helix	trans	-67.3	-48.5	175.1	-72.9	168.6	0	0	0	110.4	L414 I415 A420 Y421 P422 S541	L414-I418 HydrophobicContact CD2-CD1 4.06Å; L414-I418 HydrophobicContact CG-CD1 4.41Å; L414-I418 VanDerWaalsContact O-CB 3.26Å; L414-I418 WeakPolarHBondContact O-CB 3.18Å; L414-I418 WeakPolarHBondContact O-CD1 3.48Å; L414-I418 WeakPolarHBondContact O-CG1 3.42Å; L414-I418 PolarHBondContact O-N 3.31Å; I415-I418 PolarHBondContact O-N 3.05Å; I418-A420 VanDerWaalsContact C-N 3.3Å; I418-A420 PolarHBondContact O-N 3.37Å; I418-Y421 PolarHBondContact O-N 3.11Å; I418-P422 WeakPolarHBondContact O-CD 3.38Å; I418-S541 WeakPolarHBondContact CG2-O 3.37Å
419	N	32.7	Very low	32.9	Very low	92 Å²	92	94.6 Å²	94.6	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-71.1	-22.1	-179.8	-67.7	-15.6	0	0	0	113.5	I415 Y421 P422	I415-N419 VanDerWaalsContact CG2-ND2 3.3Å; I415-N419 WeakPolarHBondContact CG2-ND2 2.95Å; I415-N419 WeakPolarHBondContact O-CB 3.45Å; I415-N419 PolarHBondContact O-N 3.36Å; I415-N419 PolarHBondContact O-ND2 3.02Å; N419-Y421 VanDerWaalsContact C-N 3.34Å; N419-P422 WeakPolarHBondContact O-CD 3.36Å
420	A	34.4	Very low	32.9	Very low	44 Å²	44	95.1 Å²	95.1	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-72.8	-26.4	175	0	0	0	0	0	112.7	T416 I418 S423 V424	T416-A420 VanDerWaalsContact O-CB 3.23Å; T416-A420 WeakPolarHBondContact O-CB 3.36Å; T416-A420 PolarHBondContact O-N 2.92Å; I418-A420 VanDerWaalsContact C-N 3.3Å; I418-A420 PolarHBondContact O-N 3.37Å; A420-S423 PolarHBondContact O-N 2.96Å; A420-S423 PolarHBondContact O-OG 3.26Å; A420-V424 PolarHBondContact O-N 2.98Å
421	Y	33.6	Very low	33	Very low	97 Å²	97	99 Å²	99	38%	0.38	52%	0.518	S	S	.	.	H	α-helix	trans	-69.6	-39.4	-173.5	-152.4	-98.7	0	0	0	113.9	I418 N419 M445	I418-Y421 PolarHBondContact O-N 3.11Å; N419-Y421 VanDerWaalsContact C-N 3.34Å; Y421-M445 HydrophobicContact CD1-CE 4.4Å; Y421-M445 HydrophobicContact CD2-CE 4.04Å; Y421-M445 HydrophobicContact CE1-CE 3.74Å; Y421-M445 HydrophobicContact CE2-CE 3.33Å; Y421-M445 WeakPolarHBondContact OH-CE 3.49Å
422	P	31.3	Very low	33.2	Very low	51 Å²	51	107.4 Å²	107.4	33%	0.331	55%	0.553	S	S	.	*	H	α-helix	trans	-70.4	-27	170.9	-20.6	32.9	0	0	0	113.9	I418 N419 V424 Y425 S426 F543	I418-P422 WeakPolarHBondContact O-CD 3.38Å; N419-P422 WeakPolarHBondContact O-CD 3.36Å; P422-V424 VanDerWaalsContact C-N 3.34Å; P422-V424 PolarHBondContact O-N 3.37Å; P422-Y425 PolarHBondContact O-N 3.28Å; P422-S426 PolarHBondContact O-N 3.45Å; P422-S426 PolarHBondContact O-OG 2.71Å; P422-F543 WeakPolarHBondContact CG-O 3.39Å
423	S	30.4	Very low	33.4	Very low	71 Å²	71	109.8 Å²	109.8	50%	0.497	56%	0.559	S	S	.	*	H	α-helix	trans	-71.7	-25.4	-178.5	76.8	0	0	0	0	113.9	A420 S426	A420-S423 PolarHBondContact O-N 2.96Å; A420-S423 PolarHBondContact O-OG 3.26Å; S423-S426 PolarHBondContact O-OG 2.95Å
424	V	31.5	Very low	33.1	Very low	92 Å²	92	111 Å²	111	56%	0.558	56%	0.56	S	S	*	*	H	α-helix	trans	-80.4	-27.9	173	-179.1	0	0	0	0	111	A420 P422	A420-V424 PolarHBondContact O-N 2.98Å; P422-V424 VanDerWaalsContact C-N 3.34Å; P422-V424 PolarHBondContact O-N 3.37Å
425	Y	31.3	Very low	33	Very low	136 Å²	136	114.1 Å²	114.1	53%	0.533	57%	0.566	S	S	.	*	H	α-helix	trans	-76.7	-22.4	-178.6	-117.2	-89.7	0	0	0	114.2	P422 N427	P422-Y425 PolarHBondContact O-N 3.28Å; Y425-N427 VanDerWaalsContact C-N 3.31Å; Y425-N427 PolarHBondContact O-N 3.4Å
426	S	31.8	Very low	32.7	Very low	97 Å²	97	118.8 Å²	118.8	68%	0.678	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-5.3	-178.4	21.7	0	0	0	0	113.6	P422 S423	P422-S426 PolarHBondContact O-N 3.45Å; P422-S426 PolarHBondContact O-OG 2.71Å; S423-S426 PolarHBondContact O-OG 2.95Å
427	N	32.4	Very low	32.3	Very low	146 Å²	146	119.4 Å²	119.4	78%	0.781	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	9.6	-171.4	-129.5	-17.7	0	0	0	115	Y425	Y425-N427 VanDerWaalsContact C-N 3.31Å; Y425-N427 PolarHBondContact O-N 3.4Å
428	M	30.7	Very low	32.2	Very low	142 Å²	142	115.4 Å²	115.4	70%	0.7	57%	0.572	S	S	*	*			trans	-116	93.8	-175.4	-72.3	-167.5	135.6	0	0	112.9	N430	M428-N430 PolarHBondContact O-N 3.22Å; M428-N430 VanDerWaalsContact O-N 3.16Å
429	N	33.6	Very low	31.9	Very low	176 Å²	176	118.7 Å²	118.7	94%	0.941	58%	0.582	S	S	*	*			trans	-74	9.7	179	-86.4	-24.6	0	0	0	115.5
430	N	32.3	Very low	31.9	Very low	112 Å²	112	117.5 Å²	117.5	60%	0.599	58%	0.581	S	S	*	*			trans	-119.5	92.1	-167.7	-136.2	-14.3	0	0	0	113.3	M428 K432	M428-N430 PolarHBondContact O-N 3.22Å; M428-N430 VanDerWaalsContact O-N 3.16Å; N430-K432 PolarHBondContact O-N 3.29Å; N430-K432 VanDerWaalsContact O-N 3.09Å
431	K	35.6	Very low	31.8	Very low	179 Å²	179	119.8 Å²	119.8	78%	0.778	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-15.4	-177.7	-70.8	179.2	178	175.7	0	115
432	K	34.3	Very low	31.6	Very low	185 Å²	185	117.8 Å²	117.8	80%	0.804	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-19.5	-167.3	-146.9	174.4	-176.7	-179.9	0	114.6	N430	N430-K432 PolarHBondContact O-N 3.29Å; N430-K432 VanDerWaalsContact O-N 3.09Å
433	Y	35.2	Very low	31.7	Very low	163 Å²	163	118.8 Å²	118.8	64%	0.639	59%	0.59	S	S	*	*	S	Bend	trans	-105.5	4.1	177.8	-66.1	-81.1	0	0	0	113.3	Y435	Y433-Y435 PolarHBondContact O-N 2.76Å; Y433-Y435 VanDerWaalsContact O-N 3.1Å
434	M	29.8	Very low	31.8	Very low	99 Å²	99	122 Å²	122	49%	0.488	60%	0.596	S	S	.	*	H	α-helix	trans	-53.3	-33	-177.1	-90.8	-174.1	70.7	0	0	114.6	F438	M434-F438 WeakPolarHBondContact O-CB 3.48Å; M434-F438 PolarHBondContact O-N 3.33Å
435	Y	30.2	Very low	31.8	Very low	180 Å²	180	120.9 Å²	120.9	71%	0.706	59%	0.586	S	S	*	*	H	α-helix	trans	-80.1	-41.2	-169.5	-76.9	-86.8	0	0	0	113.2	Y433 Y439	Y433-Y435 PolarHBondContact O-N 2.76Å; Y433-Y435 VanDerWaalsContact O-N 3.1Å; Y435-Y439 WeakPolarHBondContact O-CD2 3.44Å; Y435-Y439 PolarHBondContact O-N 2.87Å
436	H	30	Very low	31.9	Very low	154 Å²	154	116.1 Å²	116.1	71%	0.713	57%	0.569	S	S	*	*	H	α-helix	trans	-79.9	-35.6	-171.4	-135	-77.8	0	0	0	112.9	S440	H436-S440 PolarHBondContact O-N 3.45Å; H436-S440 PolarHBondContact O-OG 3.32Å
437	D	29.3	Very low	32	Very low	89 Å²	89	117.9 Å²	117.9	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-76.2	-28.2	176.5	-68.1	-24.1	0	0	0	111.9	N441	D437-N441 WeakPolarHBondContact O-CB 3.37Å; D437-N441 PolarHBondContact O-N 3.09Å; D437-N441 PolarHBondContact O-ND2 3.43Å; D437-N441 VanDerWaalsContact O-ND2 3.13Å
438	F	29.9	Very low	32	Very low	67 Å²	67	118.3 Å²	118.3	29%	0.294	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-45.7	175.1	178.2	-93.4	0	0	0	112.4	M434 Q442	M434-F438 WeakPolarHBondContact O-CB 3.48Å; M434-F438 PolarHBondContact O-N 3.33Å; F438-Q442 HydrophobicContact CE1-CG 4.3Å; F438-Q442 HydrophobicContact CZ-CG 4.39Å; F438-Q442 VanDerWaalsContact CZ-NE2 3.3Å; F438-Q442 VanDerWaalsContact O-CB 3.25Å; F438-Q442 WeakPolarHBondContact O-CB 3.46Å; F438-Q442 PolarHBondContact O-N 3.13Å
439	Y	30.4	Very low	32.1	Very low	121 Å²	121	114.9 Å²	114.9	48%	0.475	54%	0.542	S	S	.	.	H	α-helix	trans	-69.5	-36.2	179.3	-82.7	-75.1	0	0	0	112.9	Y435 S443	Y435-Y439 WeakPolarHBondContact O-CD2 3.44Å; Y435-Y439 PolarHBondContact O-N 2.87Å; Y439-S443 WeakPolarHBondContact O-CB 3.45Å; Y439-S443 PolarHBondContact O-N 3.13Å; Y439-S443 PolarHBondContact O-OG 2.95Å
440	S	32	Very low	32	Very low	66 Å²	66	112.6 Å²	112.6	46%	0.462	52%	0.524	S	S	.	.	H	α-helix	trans	-69.6	-44.5	179.8	-55.6	0	0	0	0	111.3	H436 S443 H444	H436-S440 PolarHBondContact O-N 3.45Å; H436-S440 PolarHBondContact O-OG 3.32Å; S440-S443 PolarHBondContact O-N 2.94Å; S440-H444 PolarHBondContact O-N 3.35Å
441	N	31.3	Very low	32.1	Very low	93 Å²	93	113.1 Å²	113.1	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-73.5	-32.8	176.9	-69.3	-33.1	0	0	0	112.6	D437 M445	D437-N441 WeakPolarHBondContact O-CB 3.37Å; D437-N441 PolarHBondContact O-N 3.09Å; D437-N441 PolarHBondContact O-ND2 3.43Å; D437-N441 VanDerWaalsContact O-ND2 3.13Å; N441-M445 WeakPolarHBondContact O-CB 3.29Å; N441-M445 PolarHBondContact O-N 3.25Å; N441-M445 VanDerWaalsContact O-N 3.08Å
442	Q	30.5	Very low	31.9	Very low	54 Å²	54	112.3 Å²	112.3	25%	0.252	52%	0.519	S	S	.	.	H	α-helix	trans	-62.3	-45	170.6	-101	-163.5	-4	0	0	112	F438 H444 M445 M446	F438-Q442 HydrophobicContact CE1-CG 4.3Å; F438-Q442 HydrophobicContact CZ-CG 4.39Å; F438-Q442 VanDerWaalsContact CZ-NE2 3.3Å; F438-Q442 VanDerWaalsContact O-CB 3.25Å; F438-Q442 WeakPolarHBondContact O-CB 3.46Å; F438-Q442 PolarHBondContact O-N 3.13Å; Q442-H444 VanDerWaalsContact C-N 3.33Å; Q442-H444 PolarHBondContact O-N 2.98Å; Q442-M445 PolarHBondContact O-N 2.8Å; Q442-M446 WeakPolarHBondContact O-CB 3.37Å; Q442-M446 WeakPolarHBondContact O-CG 3.29Å; Q442-M446 PolarHBondContact O-N 2.92Å
443	S	32.4	Very low	31.7	Very low	73 Å²	73	106.5 Å²	106.5	51%	0.51	50%	0.496	S	S	.	.	H	α-helix	trans	-63.9	-43.2	-176.4	-61.3	0	0	0	0	110.9	Y439 S440 M445 M446 E447	Y439-S443 WeakPolarHBondContact O-CB 3.45Å; Y439-S443 PolarHBondContact O-N 3.13Å; Y439-S443 PolarHBondContact O-OG 2.95Å; S440-S443 PolarHBondContact O-N 2.94Å; S443-M445 PolarHBondContact O-N 3.23Å; S443-M446 PolarHBondContact O-N 3.27Å; S443-E447 PolarHBondContact O-N 3.41Å
444	H	33.7	Very low	31.5	Very low	137 Å²	137	102.8 Å²	102.8	63%	0.634	49%	0.494	S	S	*	.	H	α-helix	trans	-64.9	-40	177.3	-128.7	-76.6	0	0	0	112.8	S440 Q442 Y448	S440-H444 PolarHBondContact O-N 3.35Å; Q442-H444 VanDerWaalsContact C-N 3.33Å; Q442-H444 PolarHBondContact O-N 2.98Å; H444-Y448 PolarHBondContact O-N 3.39Å
445	M	31.9	Very low	31.4	Very low	70 Å²	70	99.5 Å²	99.5	35%	0.345	48%	0.48	S	S	.	.	H	α-helix	trans	-71.7	-37.5	177.1	-160.2	-143.9	-59.1	0	0	112	Y421 N441 Q442 S443 Y448 L449	Y421-M445 HydrophobicContact CD1-CE 4.4Å; Y421-M445 HydrophobicContact CD2-CE 4.04Å; Y421-M445 HydrophobicContact CE1-CE 3.74Å; Y421-M445 HydrophobicContact CE2-CE 3.33Å; Y421-M445 WeakPolarHBondContact OH-CE 3.49Å; N441-M445 WeakPolarHBondContact O-CB 3.29Å; N441-M445 PolarHBondContact O-N 3.25Å; N441-M445 VanDerWaalsContact O-N 3.08Å; Q442-M445 PolarHBondContact O-N 2.8Å; S443-M445 PolarHBondContact O-N 3.23Å; M445-Y448 PolarHBondContact O-N 3Å; M445-L449 HydrophobicContact CG-CD1 4.1Å; M445-L449 WeakPolarHBondContact O-CB 3.31Å; M445-L449 PolarHBondContact O-N 3.04Å; M445-L449 HydrophobicContact SD-CD1 3.88Å
446	M	32.1	Very low	31.4	Very low	36 Å²	36	97.8 Å²	97.8	18%	0.177	47%	0.473	C	S	.	.	H	α-helix	trans	-71	-32.3	178.4	-72.6	-70.7	-65	0	0	112.2	Q442 S443 K450 V455 K471	Q442-M446 WeakPolarHBondContact O-CB 3.37Å; Q442-M446 WeakPolarHBondContact O-CG 3.29Å; Q442-M446 PolarHBondContact O-N 2.92Å; S443-M446 PolarHBondContact O-N 3.27Å; M446-K450 VanDerWaalsContact O-CB 3.26Å; M446-K450 WeakPolarHBondContact O-CB 3.34Å; M446-K450 VanDerWaalsContact O-CG 3.23Å; M446-K450 WeakPolarHBondContact O-CG 3.44Å; M446-K450 PolarHBondContact O-N 3.5Å; M446-V455 HydrophobicContact CE-CG1 4.18Å; M446-K471 PolarHBondContact SD-NZ 3.3Å
447	E	34.5	Very low	31.4	Very low	133 Å²	133	94 Å²	94	62%	0.621	46%	0.463	S	S	*	.	H	α-helix	trans	-67.5	-40.5	170.2	-78.6	-156.2	151.2	0	0	112.2	S443 K450 L451	S443-E447 PolarHBondContact O-N 3.41Å; E447-K450 PolarHBondContact O-N 2.9Å; E447-L451 PolarHBondContact O-N 3.24Å
448	Y	32.9	Very low	31.3	Very low	156 Å²	156	96.9 Å²	96.9	61%	0.612	47%	0.474	S	S	*	.	H	α-helix	trans	-67.2	-39.1	176.6	-127.7	-93.6	0	0	0	112	H444 M445 L451 Y452	H444-Y448 PolarHBondContact O-N 3.39Å; M445-Y448 PolarHBondContact O-N 3Å; Y448-L451 WeakPolarHBondContact O-CB 3.33Å; Y448-L451 PolarHBondContact O-N 2.96Å; Y448-Y452 HydrophobicContact CD1-CE2 4.49Å; Y448-Y452 HydrophobicContact CE1-CE2 4.46Å; Y448-Y452 WeakPolarHBondContact O-CD2 3.27Å
449	L	32	Very low	31.2	Very low	69 Å²	69	99.6 Å²	99.6	36%	0.361	49%	0.49	S	S	.	.	H	α-helix	trans	-72.1	-34.3	174.8	-83.4	154.9	0	0	0	112.8	M445 L451 Y452 I453	M445-L449 HydrophobicContact CG-CD1 4.1Å; M445-L449 WeakPolarHBondContact O-CB 3.31Å; M445-L449 PolarHBondContact O-N 3.04Å; M445-L449 HydrophobicContact SD-CD1 3.88Å; L449-L451 PolarHBondContact O-N 3.39Å; L449-Y452 PolarHBondContact O-N 2.7Å; L449-Y452 VanDerWaalsContact O-N 3.08Å; L449-I453 HydrophobicContact CD2-CD1 4.03Å; L449-I453 PolarHBondContact O-N 3.04Å
450	K	32.5	Very low	31	Very low	128 Å²	128	98.9 Å²	98.9	56%	0.557	49%	0.494	S	S	*	.	H	α-helix	trans	-60.4	-30.7	172	-87.9	176.8	176.5	-177.6	0	112.7	M446 E447 Y452	M446-K450 VanDerWaalsContact O-CB 3.26Å; M446-K450 WeakPolarHBondContact O-CB 3.34Å; M446-K450 VanDerWaalsContact O-CG 3.23Å; M446-K450 WeakPolarHBondContact O-CG 3.44Å; M446-K450 PolarHBondContact O-N 3.5Å; E447-K450 PolarHBondContact O-N 2.9Å; K450-Y452 VanDerWaalsContact C-N 3.28Å; K450-Y452 PolarHBondContact O-N 2.68Å
451	L	34.1	Very low	30.6	Very low	123 Å²	123	101 Å²	101	64%	0.644	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-22.6	175.7	-83.8	158.5	0	0	0	113.1	E447 Y448 L449	E447-L451 PolarHBondContact O-N 3.24Å; Y448-L451 WeakPolarHBondContact O-CB 3.33Å; Y448-L451 PolarHBondContact O-N 2.96Å; L449-L451 PolarHBondContact O-N 3.39Å
452	Y	31.3	Very low	30.3	Very low	163 Å²	163	105.8 Å²	105.8	64%	0.639	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-20.1	-176.9	-79.5	-90.7	0	0	0	113.7	Y448 L449 K450	Y448-Y452 HydrophobicContact CD1-CE2 4.49Å; Y448-Y452 HydrophobicContact CE1-CE2 4.46Å; Y448-Y452 WeakPolarHBondContact O-CD2 3.27Å; L449-Y452 PolarHBondContact O-N 2.7Å; L449-Y452 VanDerWaalsContact O-N 3.08Å; K450-Y452 VanDerWaalsContact C-N 3.28Å; K450-Y452 PolarHBondContact O-N 2.68Å
453	I	30.7	Very low	29.9	Very low	62 Å²	62	106.5 Å²	106.5	32%	0.318	52%	0.523	S	S	.	.	S	Bend	trans	-146.5	133.1	-172.2	-49	176.1	0	0	0	110.2	L449 V455 L473	L449-I453 HydrophobicContact CD2-CD1 4.03Å; L449-I453 PolarHBondContact O-N 3.04Å; I453-V455 HydrophobicContact CB-CG2 4.34Å; I453-V455 HydrophobicContact CG2-CG2 4.32Å; I453-V455 PolarHBondContact O-N 3.28Å; I453-V455 VanDerWaalsContact O-N 3.11Å; I453-L473 HydrophobicContact CG2-CD1 3.68Å
454	S	30.3	Very low	29.6	Very low	86 Å²	86	109 Å²	109	60%	0.601	54%	0.54	S	S	*	.			trans	-70	105.3	172.8	-163.2	0	0	0	0	109.5
455	V	27.9	Very low	29.1	Very low	30 Å²	30	113 Å²	113	18%	0.182	55%	0.55	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.8	113.8	-178.7	-178.5	0	0	0	0	109.9	M446 I453 L473	M446-V455 HydrophobicContact CE-CG1 4.18Å; I453-V455 HydrophobicContact CB-CG2 4.34Å; I453-V455 HydrophobicContact CG2-CG2 4.32Å; I453-V455 PolarHBondContact O-N 3.28Å; I453-V455 VanDerWaalsContact O-N 3.11Å; V455-L473 HydrophobicContact CG2-CD1 4.06Å
456	Y	30.4	Very low	28.9	Very low	144 Å²	144	112.8 Å²	112.8	57%	0.565	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.7	130.5	168.6	-70	-84.6	0	0	0	110.1
457	S	29.3	Very low	28.7	Very low	73 Å²	73	113.8 Å²	113.8	51%	0.51	56%	0.562	S	S	.	*			trans	-118.5	108.2	177.8	-55	0	0	0	0	109.3
458	Q	28.1	Very low	28.5	Very low	151 Å²	151	112.8 Å²	112.8	71%	0.706	55%	0.553	S	S	*	*			trans	-142	134.7	173.7	-78.4	-175	-3	0	0	113.2
459	I	27.9	Very low	28.4	Very low	123 Å²	123	108.5 Å²	108.5	63%	0.631	54%	0.537	S	S	*	.			trans	83.4	109.3	163.6	-54	162.8	0	0	0	117.5	I461	I459-I461 HydrophobicContact CG2-CD1 4.06Å; I459-I461 HydrophobicContact CG2-CG1 3.69Å
460	L	24.9	Very low	28.5	Very low	106 Å²	106	108.2 Å²	108.2	56%	0.555	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	112.3	168.2	-139.4	138.5	0	0	0	107.3	Y462 F469	L460-Y462 HydrophobicContact CD2-CD2 3.69Å; L460-Y462 HydrophobicContact CD2-CE2 3.86Å; L460-F469 HydrophobicContact CD1-CE1 4.36Å
461	I	24.7	Very low	29	Very low	110 Å²	110	105.6 Å²	105.6	56%	0.564	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.2	173.6	-59.6	173.2	0	0	0	107.7	I459	I459-I461 HydrophobicContact CG2-CD1 4.06Å; I459-I461 HydrophobicContact CG2-CG1 3.69Å
462	Y	24.1	Very low	29.1	Very low	194 Å²	194	103.4 Å²	103.4	76%	0.761	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.4	175.9	-118.7	-93.6	0	0	0	110.3	L460	L460-Y462 HydrophobicContact CD2-CD2 3.69Å; L460-Y462 HydrophobicContact CD2-CE2 3.86Å
463	S	23.2	Very low	29.5	Very low	70 Å²	70	97.5 Å²	97.5	49%	0.49	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.3	164.3	178.1	0	0	0	0	108.3	R465 C466	S463-R465 PolarHBondContact O-N 2.99Å; S463-C466 PolarHBondContact O-N 3.28Å
464	S	24.5	Very low	29.7	Very low	125 Å²	125	99.5 Å²	99.5	87%	0.874	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-4.5	-175.4	53.8	0	0	0	0	115.3
465	R	24.1	Very low	30.1	Very low	222 Å²	222	100 Å²	100	84%	0.838	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	-5.7	-176.7	-64.5	-175.3	177.6	174.5	-0.5	115.1	S463	S463-R465 PolarHBondContact O-N 2.99Å
466	C	27.8	Very low	30.8	Very low	64 Å²	64	101.2 Å²	101.2	43%	0.432	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	134.8	-176.9	-88.3	0	0	0	0	111.6	S463	S463-C466 PolarHBondContact O-N 3.28Å
467	V	27.3	Very low	31	Very low	58 Å²	58	101.2 Å²	101.2	35%	0.352	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.4	160.9	-168.2	0	0	0	0	107.7	F469	V467-F469 HydrophobicContact CB-CE2 4.2Å; V467-F469 HydrophobicContact CG1-CD2 3.63Å; V467-F469 HydrophobicContact CG1-CE1 4.47Å; V467-F469 HydrophobicContact CG1-CE2 3.16Å; V467-F469 HydrophobicContact CG1-CG 4.48Å; V467-F469 HydrophobicContact CG1-CZ 3.65Å
468	R	30.3	Very low	31.2	Very low	112 Å²	112	100.1 Å²	100.1	42%	0.423	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	111.2	171.2	-172.2	179.5	-179.2	177.4	-3.7	107.7	E470 T483 L484	R468-E470 HydrophobicContact CG-CG 4.13Å; R468-E470 IonicContact CZ-OE1 2.96Å; R468-E470 IonicContact NE-OE1 3.5Å; R468-E470 PolarHBondContact NE-OE1 2.9Å; R468-E470 IonicContact NH2-OE1 2.88Å; R468-E470 PolarHBondContact NH2-OE1 3.28Å; R468-E470 IonicContact NH2-OE2 3.4Å; R468-T483 HydrophobicContact CG-CG2 4.46Å; R468-L484 WeakPolarHBondContact CA-O 3.34Å
469	F	31.4	Very low	31.5	Very low	65 Å²	65	96.2 Å²	96.2	29%	0.285	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.8	166.3	-69.4	-84	0	0	0	108.4	L460 V467 T483 L484	L460-F469 HydrophobicContact CD1-CE1 4.36Å; V467-F469 HydrophobicContact CB-CE2 4.2Å; V467-F469 HydrophobicContact CG1-CD2 3.63Å; V467-F469 HydrophobicContact CG1-CE1 4.47Å; V467-F469 HydrophobicContact CG1-CE2 3.16Å; V467-F469 HydrophobicContact CG1-CG 4.48Å; V467-F469 HydrophobicContact CG1-CZ 3.65Å; F469-T483 CarbonylContact O-C 3.56Å; F469-T483 WeakPolarHBondContact O-CA 3.27Å; F469-L484 HydrophobicContact CB-CB 3.9Å; F469-L484 HydrophobicContact CD2-CB 3.97Å; F469-L484 HydrophobicContact CD2-CD2 3.62Å; F469-L484 HydrophobicContact CD2-CG 4.42Å; F469-L484 HydrophobicContact CE2-CD2 4.05Å; F469-L484 HydrophobicContact CG-CB 4.42Å; F469-L484 PolarHBondContact N-O 3.06Å; F469-L484 PolarHBondContact O-N 3.15Å
470	E	34.8	Very low	31.9	Very low	63 Å²	63	92.8 Å²	92.8	29%	0.294	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.3	167.5	-57.1	-159.6	140.6	0	0	108.1	R468 K482 T483	R468-E470 HydrophobicContact CG-CG 4.13Å; R468-E470 IonicContact CZ-OE1 2.96Å; R468-E470 IonicContact NE-OE1 3.5Å; R468-E470 PolarHBondContact NE-OE1 2.9Å; R468-E470 IonicContact NH2-OE1 2.88Å; R468-E470 PolarHBondContact NH2-OE1 3.28Å; R468-E470 IonicContact NH2-OE2 3.4Å; E470-K482 CarbonylContact C-O 3.59Å; E470-K482 VanDerWaalsContact CA-O 3.26Å; E470-K482 WeakPolarHBondContact CA-O 3.39Å; E470-T483 HydrophobicContact CG-CG2 3.81Å; E470-T483 VanDerWaalsContact OE1-CG2 3.25Å; E470-T483 WeakPolarHBondContact OE1-CG2 3.37Å
471	K	41.9	Very low	32.4	Very low	74 Å²	74	89 Å²	89	32%	0.322	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.7	165.7	-73.9	-171.9	176.9	-176.5	0	108.7	M446 L480 V481 K482	M446-K471 PolarHBondContact SD-NZ 3.3Å; K471-L480 VanDerWaalsContact O-O 3.06Å; K471-V481 CarbonylContact O-C 3.53Å; K471-V481 WeakPolarHBondContact O-CA 3.42Å; K471-K482 HydrophobicContact CB-CB 4.2Å; K471-K482 PolarHBondContact N-O 2.8Å; K471-K482 PolarHBondContact O-N 3.26Å
472	I	35.7	Very low	33.1	Very low	76 Å²	76	88.2 Å²	88.2	39%	0.39	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.1	176.2	-56.2	178.2	0	0	0	106.6	I479 L480	I472-I479 HydrophobicContact CG2-CG2 3.64Å; I472-L480 CarbonylContact C-O 3.54Å; I472-L480 WeakPolarHBondContact CA-O 3.44Å
473	L	40.8	Very low	33.6	Very low	40 Å²	40	80.1 Å²	80.1	21%	0.209	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.2	174.5	179.7	73.7	0	0	0	108	I453 V455 I475 L480	I453-L473 HydrophobicContact CG2-CD1 3.68Å; V455-L473 HydrophobicContact CG2-CD1 4.06Å; L473-I475 HydrophobicContact CD2-CD1 3.89Å; L473-I475 HydrophobicContact CD2-CG1 4.21Å; L473-I475 HydrophobicContact CG-CD1 4.35Å; L473-I475 HydrophobicContact CG-CG1 4.11Å; L473-L480 HydrophobicContact CB-CB 4.11Å; L473-L480 HydrophobicContact CB-CD2 4.35Å; L473-L480 HydrophobicContact CD2-CD2 3.92Å; L473-L480 PolarHBondContact N-O 2.91Å; L473-L480 PolarHBondContact O-N 2.87Å
474	Q	34.5	Very low	34.2	Very low	104 Å²	104	80.1 Å²	80.1	49%	0.486	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.6	176.4	-172.4	175.6	-3.6	0	0	109.2	G476 V478	Q474-G476 WeakPolarHBondContact CG-O 3.42Å; Q474-G476 PolarHBondContact NE2-O 2.9Å; Q474-V478 WeakPolarHBondContact CA-O 3.35Å
475	I	38.5	Very low	34.6	Very low	96 Å²	96	82.3 Å²	82.3	49%	0.492	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	99.3	172.1	-56.4	177.5	0	0	0	106.9	L473 N477 V478	L473-I475 HydrophobicContact CD2-CD1 3.89Å; L473-I475 HydrophobicContact CD2-CG1 4.21Å; L473-I475 HydrophobicContact CG-CD1 4.35Å; L473-I475 HydrophobicContact CG-CG1 4.11Å; I475-N477 PolarHBondContact O-N 3.13Å; I475-V478 PolarHBondContact N-O 3.16Å; I475-V478 PolarHBondContact O-N 3.15Å
476	G	42.6	Very low	35.1	Very low	55 Å²	55	78.1 Å²	78.1	57%	0.567	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-117.7	-171	0	0	0	0	0	111.6	Q474	Q474-G476 WeakPolarHBondContact CG-O 3.42Å; Q474-G476 PolarHBondContact NE2-O 2.9Å
477	N	34.8	Very low	35.5	Very low	145 Å²	145	81.7 Å²	81.7	78%	0.775	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-3	178.6	-63.7	-8.6	0	0	0	113.6	I475	I475-N477 PolarHBondContact O-N 3.13Å
478	V	32.9	Very low	35.5	Very low	50 Å²	50	84.4 Å²	84.4	30%	0.303	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.7	-176	-177.8	0	0	0	0	109.9	Q474 I475	Q474-V478 WeakPolarHBondContact CA-O 3.35Å; I475-V478 PolarHBondContact N-O 3.16Å; I475-V478 PolarHBondContact O-N 3.15Å
479	I	34.4	Very low	35.5	Very low	68 Å²	68	84.2 Å²	84.2	35%	0.349	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.1	172.9	-57	179.7	0	0	0	108.1	I472 V481 H502	I472-I479 HydrophobicContact CG2-CG2 3.64Å; I479-V481 HydrophobicContact CG2-CG2 4.01Å; I479-H502 CarbonylContact O-C 3.59Å
480	L	37.4	Very low	35.3	Very low	52 Å²	52	86.7 Å²	86.7	27%	0.272	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.1	173	-177.8	82.1	0	0	0	108.8	K471 I472 L473 T501	K471-L480 VanDerWaalsContact O-O 3.06Å; I472-L480 CarbonylContact C-O 3.54Å; I472-L480 WeakPolarHBondContact CA-O 3.44Å; L473-L480 HydrophobicContact CB-CB 4.11Å; L473-L480 HydrophobicContact CB-CD2 4.35Å; L473-L480 HydrophobicContact CD2-CD2 3.92Å; L473-L480 PolarHBondContact N-O 2.91Å; L473-L480 PolarHBondContact O-N 2.87Å; L480-T501 HydrophobicContact CD1-CG2 3.77Å
481	V	35.1	Very low	35	Very low	25 Å²	25	90.1 Å²	90.1	15%	0.152	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	105.2	175.7	-177.9	0	0	0	0	109.5	K471 I479 T483 H502	K471-V481 CarbonylContact O-C 3.53Å; K471-V481 WeakPolarHBondContact O-CA 3.42Å; I479-V481 HydrophobicContact CG2-CG2 4.01Å; V481-T483 PolarHBondContact O-N 3.01Å; V481-H502 HydrophobicContact CB-CB 4.4Å; V481-H502 HydrophobicContact CG2-CB 3.97Å
482	K	38.2	Very low	34.4	Very low	94 Å²	94	93.2 Å²	93.2	41%	0.409	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	107.1	172.2	-173.9	171.5	-178.7	165.7	0	109.1	E470 K471 W499	E470-K482 CarbonylContact C-O 3.59Å; E470-K482 VanDerWaalsContact CA-O 3.26Å; E470-K482 WeakPolarHBondContact CA-O 3.39Å; K471-K482 HydrophobicContact CB-CB 4.2Å; K471-K482 PolarHBondContact N-O 2.8Å; K471-K482 PolarHBondContact O-N 3.26Å; K482-W499 HydrophobicContact CD-CZ3 4.46Å
483	T	36.1	Very low	34.2	Very low	24 Å²	24	102.5 Å²	102.5	15%	0.147	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.5	169	17.5	0	0	0	0	110.4	R468 F469 E470 V481	R468-T483 HydrophobicContact CG-CG2 4.46Å; F469-T483 CarbonylContact O-C 3.56Å; F469-T483 WeakPolarHBondContact O-CA 3.27Å; E470-T483 HydrophobicContact CG-CG2 3.81Å; E470-T483 VanDerWaalsContact OE1-CG2 3.25Å; E470-T483 WeakPolarHBondContact OE1-CG2 3.37Å; V481-T483 PolarHBondContact O-N 3.01Å
484	L	35.2	Very low	33.5	Very low	70 Å²	70	103.2 Å²	103.2	37%	0.366	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.3	166.8	-160.6	81	0	0	0	108.1	R468 F469	R468-L484 WeakPolarHBondContact CA-O 3.34Å; F469-L484 HydrophobicContact CB-CB 3.9Å; F469-L484 HydrophobicContact CD2-CB 3.97Å; F469-L484 HydrophobicContact CD2-CD2 3.62Å; F469-L484 HydrophobicContact CD2-CG 4.42Å; F469-L484 HydrophobicContact CE2-CD2 4.05Å; F469-L484 HydrophobicContact CG-CB 4.42Å; F469-L484 PolarHBondContact N-O 3.06Å; F469-L484 PolarHBondContact O-N 3.15Å
485	R	33.6	Very low	33.3	Very low	171 Å²	171	102 Å²	102	65%	0.645	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	126.4	165.5	-67.1	-168.2	-162.9	-165	4.6	109.2	K487	R485-K487 PolarHBondContact O-N 3.1Å
486	H	34	Very low	32.9	Very low	134 Å²	134	99.8 Å²	99.8	62%	0.62	55%	0.546	S	S	*	.			trans	-76.6	112.5	161.3	-169.7	-81.1	0	0	0	107.8
487	K	35.1	Very low	32.6	Very low	139 Å²	139	104.3 Å²	104.3	60%	0.604	55%	0.547	S	S	*	.			trans	-84.8	145.2	173.3	-96.4	-175.1	175.6	-179.3	0	110.3	R485	R485-K487 PolarHBondContact O-N 3.1Å
488	D	27.5	Very low	32.8	Very low	116 Å²	116	100.7 Å²	100.7	62%	0.62	53%	0.533	S	S	*	.			trans	-47.5	131.8	172.7	-117.9	-37.8	0	0	0	111.6	T490	D488-T490 PolarHBondContact O-N 2.85Å
489	P	30.2	Very low	33.2	Very low	108 Å²	108	100.5 Å²	100.5	70%	0.701	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-9.8	-178.3	-19.6	30.3	0	0	0	114.9
490	T	28.9	Very low	33.5	Very low	116 Å²	116	100.3 Å²	100.3	71%	0.712	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-9.2	-167.1	46	0	0	0	0	114.8	D488	D488-T490 PolarHBondContact O-N 2.85Å
491	L	28.5	Very low	33.4	Very low	136 Å²	136	99 Å²	99	71%	0.712	52%	0.517	S	S	*	.	S	Bend	trans	-110.2	-9	-172	-79.1	168	0	0	0	116.5
492	F	28.7	Very low	33.6	Very low	139 Å²	139	101.1 Å²	101.1	61%	0.61	53%	0.525	S	S	*	.			trans	-146.8	114.2	177.2	-68.7	-85.2	0	0	0	110.5	G494	F492-G494 PolarHBondContact O-N 3.33Å
493	R	30.4	Very low	33.5	Very low	271 Å²	271	99.4 Å²	99.4	100%	1.023	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	27.2	-175.7	-137.8	-177.6	-164.2	-150.5	4.6	114.5
494	G	27.3	Very low	33.6	Very low	55 Å²	55	101.8 Å²	101.8	57%	0.567	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159.7	25.3	-167.2	0	0	0	0	0	117.9	F492 G496	F492-G494 PolarHBondContact O-N 3.33Å; G494-G496 PolarHBondContact O-N 2.97Å; G494-G496 VanDerWaalsContact O-N 3.09Å
495	G	29	Very low	33.8	Very low	77 Å²	77	105.6 Å²	105.6	79%	0.794	56%	0.563	S	S	*	*			trans	46.1	47.9	158.2	0	0	0	0	0	118.2
496	G	30.2	Very low	34	Very low	51 Å²	51	100.6 Å²	100.6	53%	0.526	56%	0.555	S	S	.	*			trans	-101.5	146.6	-178.4	0	0	0	0	0	114.6	G494	G494-G496 PolarHBondContact O-N 2.97Å; G494-G496 VanDerWaalsContact O-N 3.09Å
497	Y	37.9	Very low	34.2	Very low	149 Å²	149	102.3 Å²	102.3	58%	0.584	56%	0.561	S	S	*	*			trans	-88.3	146.7	170.9	-59.4	-84.4	0	0	0	110.9
498	C	38.3	Very low	34.3	Very low	69 Å²	69	102.6 Å²	102.6	47%	0.466	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.9	136.8	176.3	177.9	0	0	0	0	110
499	W	40.8	Very low	34.9	Very low	46 Å²	46	98.5 Å²	98.5	17%	0.174	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.1	-177.9	-40.5	73.3	0	0	0	109.8	K482 F511 F543	K482-W499 HydrophobicContact CD-CZ3 4.46Å; W499-F511 HydrophobicContact CB-CB 4.19Å; W499-F511 HydrophobicContact CB-CD2 4.45Å; W499-F511 HydrophobicContact CG-CB 4.48Å; W499-F543 AromaticContact CE2-CZ 3.7Å; W499-F543 HydrophobicContact CH2-CZ 4.32Å; W499-F543 AromaticContact CZ2-CE1 3.77Å; W499-F543 HydrophobicContact CZ2-CE1 3.77Å; W499-F543 AromaticContact CZ2-CE2 4Å; W499-F543 HydrophobicContact CZ2-CE2 4Å; W499-F543 AromaticContact CZ2-CZ 3.3Å; W499-F543 HydrophobicContact CZ2-CZ 3.3Å; W499-F543 AromaticContact NE1-CZ 3.65Å
500	K	40.2	Very low	35.3	Very low	65 Å²	65	99.7 Å²	99.7	28%	0.283	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	120	177.1	-167.9	-178.4	-176.1	-164.8	0	108.9	H502	K500-H502 WeakPolarHBondContact CD-NE2 3.45Å; K500-H502 WeakPolarHBondContact CE-NE2 3.41Å; K500-H502 PolarHBondContact NZ-NE2 3.46Å
501	T	35.8	Very low	35.8	Very low	24 Å²	24	94.5 Å²	94.5	15%	0.147	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	147.6	174.2	54.7	0	0	0	0	110.3	L480 F511	L480-T501 HydrophobicContact CD1-CG2 3.77Å; T501-F511 HydrophobicContact CG2-CD2 4.32Å; T501-F511 HydrophobicContact CG2-CE2 3.65Å
502	H	39.6	Very low	36.1	Very low	69 Å²	69	92.5 Å²	92.5	32%	0.319	48%	0.481	S	S	.	.			trans	-133.4	84	-175.4	-85.4	-85.5	0	0	0	109.8	I479 V481 K500	I479-H502 CarbonylContact O-C 3.59Å; V481-H502 HydrophobicContact CB-CB 4.4Å; V481-H502 HydrophobicContact CG2-CB 3.97Å; K500-H502 WeakPolarHBondContact CD-NE2 3.45Å; K500-H502 WeakPolarHBondContact CE-NE2 3.41Å; K500-H502 PolarHBondContact NZ-NE2 3.46Å
503	D	37.2	Very low	36.2	Very low	59 Å²	59	88.9 Å²	88.9	32%	0.316	46%	0.464	S	S	.	.			trans	-82.8	139.7	169.1	165.6	34	0	0	0	109.9	N505 S506	D503-N505 PolarHBondContact O-N 3.3Å; D503-N505 PolarHBondContact OD1-N 3.48Å; D503-S506 VanDerWaalsContact CB-OG 3.27Å; D503-S506 WeakPolarHBondContact CB-OG 3.07Å; D503-S506 PolarHBondContact O-N 3.31Å; D503-S506 PolarHBondContact OD2-OG 3.06Å
504	A	37.6	Very low	36.3	Very low	74 Å²	74	82.8 Å²	82.8	61%	0.612	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.1	-176	0	0	0	0	0	112.9
505	N	39.5	Very low	36.5	Very low	149 Å²	149	84.9 Å²	84.9	80%	0.797	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	1.2	-175.2	-70.5	-31.4	0	0	0	115.3	D503	D503-N505 PolarHBondContact O-N 3.3Å; D503-N505 PolarHBondContact OD1-N 3.48Å
506	S	38.5	Very low	36.6	Very low	66 Å²	66	84.6 Å²	84.6	46%	0.462	45%	0.454	S	S	.	.	S	Bend	trans	-134.5	132.2	-174.1	58.9	0	0	0	0	114.9	D503 Y508	D503-S506 VanDerWaalsContact CB-OG 3.27Å; D503-S506 WeakPolarHBondContact CB-OG 3.07Å; D503-S506 PolarHBondContact O-N 3.31Å; D503-S506 PolarHBondContact OD2-OG 3.06Å; S506-Y508 PolarHBondContact O-N 2.76Å
507	K	37.5	Very low	36.5	Very low	171 Å²	171	87.5 Å²	87.5	74%	0.743	46%	0.455	S	S	*	.			trans	-66.6	125.7	176.8	-77.7	178.2	177	176	0	110.1
508	Y	36.6	Very low	36.2	Very low	145 Å²	145	82.1 Å²	82.1	57%	0.569	44%	0.436	S	S	*	.			trans	16.5	118.4	168.4	-45.9	-75.1	0	0	0	119	S506	S506-Y508 PolarHBondContact O-N 2.76Å
509	Q	39.5	Very low	35.9	Very low	29 Å²	29	81.2 Å²	81.2	14%	0.136	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.4	155.9	-83.1	175.2	-4.8	0	0	110.9	F511	Q509-F511 HydrophobicContact CB-CE2 3.83Å; Q509-F511 HydrophobicContact CB-CZ 4.14Å
510	W	39.7	Very low	35.5	Very low	134 Å²	134	81.4 Å²	81.4	51%	0.508	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.2	173.6	-62.3	89.9	0	0	0	108.4	Y521	W510-Y521 HydrophobicContact CB-CD2 4.38Å
511	F	39.9	Very low	35.1	Very low	6 Å²	6	85 Å²	85	3%	0.026	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.8	172.6	-59.1	-87.5	0	0	0	109.2	W499 T501 Q509 L518 V520 L535 L539	W499-F511 HydrophobicContact CB-CB 4.19Å; W499-F511 HydrophobicContact CB-CD2 4.45Å; W499-F511 HydrophobicContact CG-CB 4.48Å; T501-F511 HydrophobicContact CG2-CD2 4.32Å; T501-F511 HydrophobicContact CG2-CE2 3.65Å; Q509-F511 HydrophobicContact CB-CE2 3.83Å; Q509-F511 HydrophobicContact CB-CZ 4.14Å; F511-L518 HydrophobicContact CB-CD1 4.28Å; F511-L518 HydrophobicContact CD1-CD1 3.9Å; F511-L518 HydrophobicContact CD1-CG 4.4Å; F511-V520 HydrophobicContact CD1-CG2 3.96Å; F511-V520 HydrophobicContact CE1-CB 4.4Å; F511-V520 HydrophobicContact CE1-CG1 4.01Å; F511-V520 HydrophobicContact CE1-CG2 3.76Å; F511-L535 HydrophobicContact CZ-CD2 4.14Å; F511-L539 HydrophobicContact CD1-CD1 4.11Å; F511-L539 HydrophobicContact CE1-CD1 3.78Å; F511-L539 HydrophobicContact CE2-CD1 4.47Å; F511-L539 HydrophobicContact CZ-CD1 3.99Å
512	H	34.5	Very low	34.9	Very low	94 Å²	94	88 Å²	88	44%	0.435	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.4	172.5	-168.5	-88.1	0	0	0	109	I519	H512-I519 HydrophobicContact CB-CB 4.47Å; H512-I519 PolarHBondContact N-O 3.1Å; H512-I519 PolarHBondContact O-N 2.75Å
513	Y	31.3	Very low	34.6	Very low	64 Å²	64	88.7 Å²	88.7	25%	0.251	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.7	172.8	-174	-100	0	0	0	109.6	F543	Y513-F543 AromaticContact CD1-CE1 3.98Å; Y513-F543 HydrophobicContact CD1-CE1 3.98Å; Y513-F543 HydrophobicContact CD1-CZ 4.38Å; Y513-F543 AromaticContact CD2-CE1 3.99Å; Y513-F543 HydrophobicContact CD2-CE1 3.99Å; Y513-F543 HydrophobicContact CD2-CE2 4.18Å; Y513-F543 AromaticContact CD2-CZ 3.76Å; Y513-F543 HydrophobicContact CD2-CZ 3.76Å; Y513-F543 HydrophobicContact CE1-CD1 4.39Å; Y513-F543 HydrophobicContact CE1-CE1 4.08Å; Y513-F543 HydrophobicContact CE2-CD1 4.25Å; Y513-F543 HydrophobicContact CE2-CE1 4.1Å; Y513-F543 HydrophobicContact CE2-CE2 4.47Å; Y513-F543 HydrophobicContact CE2-CG 4.48Å; Y513-F543 HydrophobicContact CE2-CZ 4.21Å; Y513-F543 AromaticContact CG-CE1 3.93Å; Y513-F543 HydrophobicContact CG-CE1 3.93Å; Y513-F543 AromaticContact CG-CZ 3.86Å; Y513-F543 HydrophobicContact CG-CZ 3.86Å
514	K	31.9	Very low	34.2	Very low	143 Å²	143	96.4 Å²	96.4	62%	0.622	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.4	165.5	-169.5	179.8	-178.2	-173.9	0	106.2	G516 M517	K514-G516 PolarHBondContact O-N 2.92Å; K514-G516 VanDerWaalsContact O-N 3.16Å; K514-M517 PolarHBondContact N-O 3.46Å; K514-M517 PolarHBondContact O-N 3.41Å
515	A	32	Very low	33.7	Very low	98 Å²	98	98.5 Å²	98.5	81%	0.81	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	9.9	88.1	176.2	0	0	0	0	0	114.8
516	G	30.6	Very low	33.1	Very low	72 Å²	72	100.9 Å²	100.9	74%	0.742	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	-1.8	175	0	0	0	0	0	117.1	K514	K514-G516 PolarHBondContact O-N 2.92Å; K514-G516 VanDerWaalsContact O-N 3.16Å
517	M	27.9	Very low	32.6	Very low	111 Å²	111	102.1 Å²	102.1	55%	0.547	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.2	-178.3	-157.8	169.4	81.1	0	0	112.3	K514 I519	K514-M517 PolarHBondContact N-O 3.46Å; K514-M517 PolarHBondContact O-N 3.41Å; M517-I519 HydrophobicContact CE-CD1 3.62Å; M517-I519 HydrophobicContact CE-CG1 3.78Å; M517-I519 HydrophobicContact CG-CG1 4.49Å
518	L	32	Very low	32.2	Very low	37 Å²	37	97.4 Å²	97.4	19%	0.194	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114.4	169.3	-178.1	78.3	0	0	0	109	F511 V520 I536 M540	F511-L518 HydrophobicContact CB-CD1 4.28Å; F511-L518 HydrophobicContact CD1-CD1 3.9Å; F511-L518 HydrophobicContact CD1-CG 4.4Å; L518-V520 HydrophobicContact CD2-CG2 3.84Å; L518-V520 HydrophobicContact CG-CG2 4.03Å; L518-I536 HydrophobicContact CD2-CG1 4.31Å; L518-I536 HydrophobicContact CD2-CG2 4.3Å; L518-M540 HydrophobicContact CB-CE 3.37Å; L518-M540 HydrophobicContact CD1-CE 4.39Å; L518-M540 HydrophobicContact CD2-CE 3.54Å; L518-M540 HydrophobicContact CG-CE 3.93Å
519	I	31.1	Very low	31.8	Very low	50 Å²	50	97.2 Å²	97.2	26%	0.256	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.6	172.2	-50.3	175.5	0	0	0	108.4	H512 M517 Y521	H512-I519 HydrophobicContact CB-CB 4.47Å; H512-I519 PolarHBondContact N-O 3.1Å; H512-I519 PolarHBondContact O-N 2.75Å; M517-I519 HydrophobicContact CE-CD1 3.62Å; M517-I519 HydrophobicContact CE-CG1 3.78Å; M517-I519 HydrophobicContact CG-CG1 4.49Å; I519-Y521 HydrophobicContact CB-CE2 4.31Å; I519-Y521 HydrophobicContact CG2-CD2 4.11Å; I519-Y521 HydrophobicContact CG2-CE1 4.34Å; I519-Y521 HydrophobicContact CG2-CE2 3.48Å; I519-Y521 VanDerWaalsContact CG2-CE2 3.48Å
520	V	31.9	Very low	31.3	Very low	49 Å²	49	104.8 Å²	104.8	30%	0.297	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.3	176.3	-174.4	0	0	0	0	109.1	F511 L518 F532	F511-V520 HydrophobicContact CD1-CG2 3.96Å; F511-V520 HydrophobicContact CE1-CB 4.4Å; F511-V520 HydrophobicContact CE1-CG1 4.01Å; F511-V520 HydrophobicContact CE1-CG2 3.76Å; L518-V520 HydrophobicContact CD2-CG2 3.84Å; L518-V520 HydrophobicContact CG-CG2 4.03Å; V520-F532 HydrophobicContact CG1-CE1 4.08Å
521	Y	32.2	Very low	31	Very low	140 Å²	140	104 Å²	104	55%	0.549	55%	0.545	S	S	.	.			trans	-99.7	122.1	171.5	-63.5	-86.8	0	0	0	109.6	W510 I519	W510-Y521 HydrophobicContact CB-CD2 4.38Å; I519-Y521 HydrophobicContact CB-CE2 4.31Å; I519-Y521 HydrophobicContact CG2-CD2 4.11Å; I519-Y521 HydrophobicContact CG2-CE1 4.34Å; I519-Y521 HydrophobicContact CG2-CE2 3.48Å; I519-Y521 VanDerWaalsContact CG2-CE2 3.48Å
522	N	32.6	Very low	30.7	Very low	87 Å²	87	105.7 Å²	105.7	47%	0.465	55%	0.552	S	S	.	*			trans	-124.1	124	174.1	-172.9	-0	0	0	0	110.9	R524 F532	N522-R524 PolarHBondContact O-N 3.13Å; N522-F532 HydrophobicContact CB-CZ 4.46Å; N522-F532 VanDerWaalsContact ND2-CZ 3.28Å; N522-F532 WeakPolarHBondContact ND2-CZ 3.22Å
523	S	31.8	Very low	30.7	Very low	84 Å²	84	108.3 Å²	108.3	59%	0.587	56%	0.559	S	S	*	*			trans	-85.2	86.7	171	64.2	0	0	0	0	111
524	R	29.7	Very low	31	Very low	221 Å²	221	110.3 Å²	110.3	83%	0.834	57%	0.573	S	S	*	*	S	Bend	trans	67.3	120	160.2	-100.1	-177.3	178.9	173.4	-0.6	120.6	N522	N522-R524 PolarHBondContact O-N 3.13Å
525	T	28	Very low	31.4	Very low	119 Å²	119	106 Å²	106	73%	0.73	56%	0.557	S	S	*	*	S	Bend	trans	64	113.9	138.4	45.7	0	0	0	0	120.7
526	Q	26.2	Very low	32	Very low	198 Å²	198	104 Å²	104	93%	0.925	53%	0.532	S	S	*	.			trans	71.7	52.3	161	-74.1	-162	-13.6	0	0	119.1
527	V	28.8	Very low	32.6	Very low	92 Å²	92	104.3 Å²	104.3	56%	0.558	52%	0.516	S	S	*	.	S	Bend	trans	-105.1	119.8	152	-178.3	0	0	0	0	106.9	L529 F532	V527-L529 PolarHBondContact O-N 3.22Å; V527-F532 HydrophobicContact CB-CE2 4.23Å; V527-F532 HydrophobicContact CG1-CE2 4.44Å
528	S	28.3	Very low	33.3	Very low	72 Å²	72	102.9 Å²	102.9	50%	0.503	51%	0.51	S	S	.	.			trans	-40.4	123.5	-172.7	59.9	0	0	0	0	111.9	F530 Q531	S528-F530 PolarHBondContact O-N 3.32Å; S528-Q531 PolarHBondContact O-N 3.29Å
529	L	28.4	Very low	33.8	Very low	141 Å²	141	102.1 Å²	102.1	74%	0.738	51%	0.506	S	S	*	.	H	α-helix	trans	-44.3	-27.4	177.1	-83.9	149.1	0	0	0	113.4	V527 F532 W533	V527-L529 PolarHBondContact O-N 3.22Å; L529-F532 PolarHBondContact O-N 3.33Å; L529-W533 VanDerWaalsContact O-CD1 3.28Å; L529-W533 PolarHBondContact O-N 2.92Å; L529-W533 VanDerWaalsContact O-N 3.15Å
530	F	27.7	Very low	34.4	Very low	188 Å²	188	103.8 Å²	103.8	83%	0.825	51%	0.513	S	S	*	.	H	α-helix	trans	-59.7	-42.5	176.1	-120.3	-90.6	0	0	0	115.1	S528 L534	S528-F530 PolarHBondContact O-N 3.32Å; F530-L534 PolarHBondContact O-N 3.44Å
531	Q	34.3	Very low	34.8	Very low	117 Å²	117	103.5 Å²	103.5	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-73.5	-33.8	-178.2	-73.4	-96	-37.4	0	0	111.2	S528 L535	S528-Q531 PolarHBondContact O-N 3.29Å; Q531-L535 PolarHBondContact O-N 3.24Å; Q531-L535 VanDerWaalsContact O-N 3.13Å
532	F	34.1	Very low	35.1	Very low	42 Å²	42	99.8 Å²	99.8	18%	0.184	51%	0.512	C	S	.	.	H	α-helix	trans	-68.4	-40.4	175.6	-96.5	-93.8	0	0	0	112.6	V520 N522 V527 L529 L534 L535 I536	V520-F532 HydrophobicContact CG1-CE1 4.08Å; N522-F532 HydrophobicContact CB-CZ 4.46Å; N522-F532 VanDerWaalsContact ND2-CZ 3.28Å; N522-F532 WeakPolarHBondContact ND2-CZ 3.22Å; V527-F532 HydrophobicContact CB-CE2 4.23Å; V527-F532 HydrophobicContact CG1-CE2 4.44Å; L529-F532 PolarHBondContact O-N 3.33Å; F532-L534 VanDerWaalsContact C-N 3.34Å; F532-L534 PolarHBondContact O-N 2.66Å; F532-L535 PolarHBondContact O-N 3.2Å; F532-I536 WeakPolarHBondContact O-CB 3.39Å; F532-I536 VanDerWaalsContact O-CG1 3.23Å; F532-I536 WeakPolarHBondContact O-CG1 3.34Å; F532-I536 PolarHBondContact O-N 2.94Å
533	W	33.7	Very low	35.1	Very low	150 Å²	150	99.2 Å²	99.2	57%	0.568	51%	0.505	S	S	*	.	H	α-helix	trans	-61.6	-43.4	176.9	-90	57.1	0	0	0	111.5	L529 L535 I536 L537	L529-W533 VanDerWaalsContact O-CD1 3.28Å; L529-W533 PolarHBondContact O-N 2.92Å; L529-W533 VanDerWaalsContact O-N 3.15Å; W533-L535 VanDerWaalsContact C-N 3.35Å; W533-L535 PolarHBondContact O-N 3.31Å; W533-I536 PolarHBondContact O-N 3.18Å; W533-L537 VanDerWaalsContact O-CB 3.31Å; W533-L537 WeakPolarHBondContact O-CB 3.43Å; W533-L537 WeakPolarHBondContact O-CD1 3.36Å; W533-L537 WeakPolarHBondContact O-CG 3.44Å; W533-L537 PolarHBondContact O-N 3.06Å
534	L	37.6	Very low	35.3	Very low	106 Å²	106	100 Å²	100	56%	0.555	50%	0.501	S	S	*	.	H	α-helix	trans	-63.3	-40.3	176	-160.6	76.5	0	0	0	111.9	F530 F532 L537 I538	F530-L534 PolarHBondContact O-N 3.44Å; F532-L534 VanDerWaalsContact C-N 3.34Å; F532-L534 PolarHBondContact O-N 2.66Å; L534-L537 PolarHBondContact O-N 3.15Å; L534-I538 HydrophobicContact CG-CD1 4.21Å; L534-I538 WeakPolarHBondContact O-CB 3.32Å; L534-I538 WeakPolarHBondContact O-CD1 3.06Å; L534-I538 WeakPolarHBondContact O-CG1 3.5Å; L534-I538 PolarHBondContact O-N 3.28Å
535	L	40.9	Very low	35.6	Very low	53 Å²	53	93.6 Å²	93.6	28%	0.277	48%	0.484	S	S	.	.	H	α-helix	trans	-68.7	-39.3	178.3	-143.1	107.7	0	0	0	112.2	F511 Q531 F532 W533 L539	F511-L535 HydrophobicContact CZ-CD2 4.14Å; Q531-L535 PolarHBondContact O-N 3.24Å; Q531-L535 VanDerWaalsContact O-N 3.13Å; F532-L535 PolarHBondContact O-N 3.2Å; W533-L535 VanDerWaalsContact C-N 3.35Å; W533-L535 PolarHBondContact O-N 3.31Å; L535-L539 HydrophobicContact CD2-CD1 4.15Å; L535-L539 WeakPolarHBondContact O-CB 3.47Å; L535-L539 WeakPolarHBondContact O-CD1 3.44Å; L535-L539 WeakPolarHBondContact O-CG 3.44Å; L535-L539 PolarHBondContact O-N 3.19Å
536	I	44.6	Very low	36	Very low	56 Å²	56	92.2 Å²	92.2	29%	0.287	47%	0.47	S	S	.	.	H	α-helix	trans	-65.5	-42.5	173.6	-68.3	165.4	0	0	0	109.8	L518 F532 W533 L539 M540	L518-I536 HydrophobicContact CD2-CG1 4.31Å; L518-I536 HydrophobicContact CD2-CG2 4.3Å; F532-I536 WeakPolarHBondContact O-CB 3.39Å; F532-I536 VanDerWaalsContact O-CG1 3.23Å; F532-I536 WeakPolarHBondContact O-CG1 3.34Å; F532-I536 PolarHBondContact O-N 2.94Å; W533-I536 PolarHBondContact O-N 3.18Å; I536-L539 PolarHBondContact O-N 3.07Å; I536-M540 HydrophobicContact CG2-CG 4.06Å; I536-M540 VanDerWaalsContact O-CB 3.27Å; I536-M540 WeakPolarHBondContact O-CB 3.09Å; I536-M540 WeakPolarHBondContact O-CG 3.43Å; I536-M540 PolarHBondContact O-N 3.09Å
537	L	42.3	Very low	36.6	Very low	77 Å²	77	86 Å²	86	40%	0.403	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-42.6	176.6	-75	163.7	0	0	0	112.1	W533 L534 M540 S541	W533-L537 VanDerWaalsContact O-CB 3.31Å; W533-L537 WeakPolarHBondContact O-CB 3.43Å; W533-L537 WeakPolarHBondContact O-CD1 3.36Å; W533-L537 WeakPolarHBondContact O-CG 3.44Å; W533-L537 PolarHBondContact O-N 3.06Å; L534-L537 PolarHBondContact O-N 3.15Å; L537-M540 PolarHBondContact O-N 3.23Å; L537-S541 WeakPolarHBondContact O-CB 3.42Å; L537-S541 PolarHBondContact O-N 3.1Å; L537-S541 PolarHBondContact O-OG 3.48Å
538	I	43.9	Very low	37	Very low	82 Å²	82	85.6 Å²	85.6	42%	0.421	44%	0.436	S	S	.	.	H	α-helix	trans	-64	-43.1	174.9	-68.5	163.1	0	0	0	110.5	L534 S541 A542	L534-I538 HydrophobicContact CG-CD1 4.21Å; L534-I538 WeakPolarHBondContact O-CB 3.32Å; L534-I538 WeakPolarHBondContact O-CD1 3.06Å; L534-I538 WeakPolarHBondContact O-CG1 3.5Å; L534-I538 PolarHBondContact O-N 3.28Å; I538-S541 WeakPolarHBondContact CA-OG 3.11Å; I538-S541 PolarHBondContact O-N 3.05Å; I538-S541 PolarHBondContact O-OG 3.46Å; I538-A542 PolarHBondContact O-N 3.49Å; I538-A542 VanDerWaalsContact O-N 3.14Å
539	L	42.7	Very low	37.6	Very low	21 Å²	21	86.5 Å²	86.5	11%	0.11	43%	0.432	C	S	.	.	H	α-helix	trans	-67.1	-40.2	178	-73.3	167.9	0	0	0	112	F511 L535 I536 A542 F543	F511-L539 HydrophobicContact CD1-CD1 4.11Å; F511-L539 HydrophobicContact CE1-CD1 3.78Å; F511-L539 HydrophobicContact CE2-CD1 4.47Å; F511-L539 HydrophobicContact CZ-CD1 3.99Å; L535-L539 HydrophobicContact CD2-CD1 4.15Å; L535-L539 WeakPolarHBondContact O-CB 3.47Å; L535-L539 WeakPolarHBondContact O-CD1 3.44Å; L535-L539 WeakPolarHBondContact O-CG 3.44Å; L535-L539 PolarHBondContact O-N 3.19Å; I536-L539 PolarHBondContact O-N 3.07Å; L539-A542 PolarHBondContact O-N 3.06Å; L539-F543 WeakPolarHBondContact O-CD2 3.45Å
540	M	43.1	Very low	38.3	Very low	84 Å²	84	82.6 Å²	82.6	41%	0.414	41%	0.41	S	S	.	.	H	α-helix	trans	-70.2	-33.8	176.9	-71.3	-68.6	154.4	0	0	112.3	L518 I536 L537 A542 F543	L518-M540 HydrophobicContact CB-CE 3.37Å; L518-M540 HydrophobicContact CD1-CE 4.39Å; L518-M540 HydrophobicContact CD2-CE 3.54Å; L518-M540 HydrophobicContact CG-CE 3.93Å; I536-M540 HydrophobicContact CG2-CG 4.06Å; I536-M540 VanDerWaalsContact O-CB 3.27Å; I536-M540 WeakPolarHBondContact O-CB 3.09Å; I536-M540 WeakPolarHBondContact O-CG 3.43Å; I536-M540 PolarHBondContact O-N 3.09Å; L537-M540 PolarHBondContact O-N 3.23Å; M540-A542 PolarHBondContact O-N 3.08Å; M540-F543 PolarHBondContact O-N 2.89Å
541	S	40.5	Very low	39.1	Very low	43 Å²	43	74.5 Å²	74.5	30%	0.301	38%	0.378	S	S	.	.	H	α-helix	trans	-71.2	-19.4	172.6	78.6	0	0	0	0	112.4	I418 L537 I538 F543	I418-S541 WeakPolarHBondContact CG2-O 3.37Å; L537-S541 WeakPolarHBondContact O-CB 3.42Å; L537-S541 PolarHBondContact O-N 3.1Å; L537-S541 PolarHBondContact O-OG 3.48Å; I538-S541 WeakPolarHBondContact CA-OG 3.11Å; I538-S541 PolarHBondContact O-N 3.05Å; I538-S541 PolarHBondContact O-OG 3.46Å; S541-F543 VanDerWaalsContact C-N 3.31Å
542	A	38.3	Very low	39.5	Very low	62 Å²	62	71 Å²	71	51%	0.512	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.2	177.7	0	0	0	0	0	113.9	I538 L539 M540	I538-A542 PolarHBondContact O-N 3.49Å; I538-A542 VanDerWaalsContact O-N 3.14Å; L539-A542 PolarHBondContact O-N 3.06Å; M540-A542 PolarHBondContact O-N 3.08Å
543	F	32.4	Very low	40	Very low	76 Å²	76	73.6 Å²	73.6	33%	0.333	38%	0.38	S	S	.	.			trans	-108.6	0	171.9	-72	-77.3	0	0	0	110	P422 W499 Y513 L539 M540 S541	P422-F543 WeakPolarHBondContact CG-O 3.39Å; W499-F543 AromaticContact CE2-CZ 3.7Å; W499-F543 HydrophobicContact CH2-CZ 4.32Å; W499-F543 AromaticContact CZ2-CE1 3.77Å; W499-F543 HydrophobicContact CZ2-CE1 3.77Å; W499-F543 AromaticContact CZ2-CE2 4Å; W499-F543 HydrophobicContact CZ2-CE2 4Å; W499-F543 AromaticContact CZ2-CZ 3.3Å; W499-F543 HydrophobicContact CZ2-CZ 3.3Å; W499-F543 AromaticContact NE1-CZ 3.65Å; Y513-F543 AromaticContact CD1-CE1 3.98Å; Y513-F543 HydrophobicContact CD1-CE1 3.98Å; Y513-F543 HydrophobicContact CD1-CZ 4.38Å; Y513-F543 AromaticContact CD2-CE1 3.99Å; Y513-F543 HydrophobicContact CD2-CE1 3.99Å; Y513-F543 HydrophobicContact CD2-CE2 4.18Å; Y513-F543 AromaticContact CD2-CZ 3.76Å; Y513-F543 HydrophobicContact CD2-CZ 3.76Å; Y513-F543 HydrophobicContact CE1-CD1 4.39Å; Y513-F543 HydrophobicContact CE1-CE1 4.08Å; Y513-F543 HydrophobicContact CE2-CD1 4.25Å; Y513-F543 HydrophobicContact CE2-CE1 4.1Å; Y513-F543 HydrophobicContact CE2-CE2 4.47Å; Y513-F543 HydrophobicContact CE2-CG 4.48Å; Y513-F543 HydrophobicContact CE2-CZ 4.21Å; Y513-F543 AromaticContact CG-CE1 3.93Å; Y513-F543 HydrophobicContact CG-CE1 3.93Å; Y513-F543 AromaticContact CG-CZ 3.86Å; Y513-F543 HydrophobicContact CG-CZ 3.86Å; L539-F543 WeakPolarHBondContact O-CD2 3.45Å; M540-F543 PolarHBondContact O-N 2.89Å; S541-F543 VanDerWaalsContact C-N 3.31Å

Retrieved 543 of 543 residues in 351.9 ms (Link to these results)

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