A0A5K4FAR0_SCHMA Loading...

Homeobox protein engrailed-like

AlphaFold DB , UniProt , Accession A0A5K4FAR0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 510 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.5	Very low	55.9	Low	89 Å²	89	97.8 Å²	97.8	44%	0.438	47%	0.469	S	S	.	.				0	-79.1	0	-74	-149.6	-84.6	0	0	112.6	K3 L4 F37 L38 I41	M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3.04Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 2.93Å; M1-F37 HydrophobicContact CE-CD1 3.93Å; M1-F37 HydrophobicContact CE-CE1 3.68Å; M1-L38 HydrophobicContact CE-CD1 4.06Å; M1-L38 HydrophobicContact CE-CG 4.03Å; M1-L38 HydrophobicContact SD-CD2 4.44Å; M1-L38 HydrophobicContact SD-CG 4.22Å; M1-I41 HydrophobicContact CE-CD1 4.13Å; M1-I41 HydrophobicContact SD-CD1 3.71Å
2	F	54.9	Low	56.2	Low	31 Å²	31	91.7 Å²	91.7	14%	0.136	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-53.4	-29.3	-170.3	-69.9	-63.3	0	0	0	117.5	L4 L5 M16 I17 M20 F37	F2-L4 PolarHBondContact O-N 3.43Å; F2-L5 PolarHBondContact O-N 3.31Å; F2-L5 VanDerWaalsContact O-N 3.14Å; F2-M16 HydrophobicContact CD1-CE 4.33Å; F2-M16 HydrophobicContact CE1-CB 4.07Å; F2-M16 HydrophobicContact CE1-CE 3.55Å; F2-M16 HydrophobicContact CE1-SD 3.68Å; F2-M16 HydrophobicContact CE2-CB 4.32Å; F2-M16 HydrophobicContact CZ-CB 3.59Å; F2-M16 HydrophobicContact CZ-CE 4.26Å; F2-M16 HydrophobicContact CZ-CG 4.34Å; F2-M16 HydrophobicContact CZ-SD 3.89Å; F2-I17 HydrophobicContact CD2-CD1 4.41Å; F2-I17 HydrophobicContact CD2-CG1 3.91Å; F2-I17 HydrophobicContact CE2-CG1 4.14Å; F2-M20 HydrophobicContact CE2-SD 4.01Å; F2-F37 HydrophobicContact CE2-CZ 4.31Å; F2-F37 HydrophobicContact CZ-CE2 4.49Å; F2-F37 AromaticContact CZ-CZ 3.77Å; F2-F37 HydrophobicContact CZ-CZ 3.77Å
3	K	55.8	Low	56.8	Low	200 Å²	200	86.5 Å²	86.5	87%	0.87	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-65.2	-13.8	171.4	-73.6	-170.6	175.6	-175.6	0	115.1	M1	M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3.04Å
4	L	53.4	Low	57.4	Low	133 Å²	133	85.6 Å²	85.6	70%	0.696	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-99.7	-0.9	175.3	-61.5	169.9	0	0	0	112.1	M1 F2	M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 2.93Å; F2-L4 PolarHBondContact O-N 3.43Å
5	L	53.8	Low	57.8	Low	16 Å²	16	85.5 Å²	85.5	8%	0.084	43%	0.425	C	S	.	.			trans	-111.2	75.2	177.9	-74	115.1	0	0	0	109.9	F2 H7 F8 K13 I41	F2-L5 PolarHBondContact O-N 3.31Å; F2-L5 VanDerWaalsContact O-N 3.14Å; L5-H7 PolarHBondContact O-N 3.42Å; L5-H7 VanDerWaalsContact O-N 3.1Å; L5-F8 HydrophobicContact CB-CD2 4.04Å; L5-F8 HydrophobicContact CD2-CD2 3.86Å; L5-F8 HydrophobicContact CD2-CE2 3.85Å; L5-F8 PolarHBondContact O-N 2.92Å; L5-K13 WeakPolarHBondContact O-CE 3.12Å; L5-I41 HydrophobicContact CD1-CG2 4.03Å; L5-I41 HydrophobicContact CD2-CG2 4.07Å
6	D	53	Low	58.1	Low	129 Å²	129	80.6 Å²	80.6	69%	0.69	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.1	175	-66.9	-34.4	0	0	0	113.1
7	H	53.7	Low	58.6	Low	108 Å²	108	80 Å²	80	50%	0.5	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.7	-174.6	-68.1	44	0	0	0	114.7	L5 N52	L5-H7 PolarHBondContact O-N 3.42Å; L5-H7 VanDerWaalsContact O-N 3.1Å; H7-N52 PolarHBondContact CD2-ND2 3.38Å; H7-N52 VanDerWaalsContact CD2-ND2 3.27Å; H7-N52 PolarHBondContact NE2-ND2 3.45Å
8	F	53.1	Low	59	Low	18 Å²	18	80.1 Å²	80.1	8%	0.079	40%	0.398	C	S	.	.	S	Bend	trans	-88.7	126.2	170.1	-89.4	-65.3	0	0	0	110.2	L5 E10 S12 K13 M16 H44	L5-F8 HydrophobicContact CB-CD2 4.04Å; L5-F8 HydrophobicContact CD2-CD2 3.86Å; L5-F8 HydrophobicContact CD2-CE2 3.85Å; L5-F8 PolarHBondContact O-N 2.92Å; F8-E10 PolarHBondContact O-N 3.37Å; F8-S12 VanDerWaalsContact CD1-OG 3.24Å; F8-S12 WeakPolarHBondContact CD1-OG 3.36Å; F8-K13 HydrophobicContact CB-CG 3.71Å; F8-K13 WeakPolarHBondContact O-CE 3.27Å; F8-M16 HydrophobicContact CB-CE 4.45Å; F8-M16 HydrophobicContact CD1-CE 3.58Å; F8-M16 HydrophobicContact CD2-CE 3.82Å; F8-M16 HydrophobicContact CE1-CE 3.56Å; F8-M16 HydrophobicContact CE1-SD 4.43Å; F8-M16 HydrophobicContact CE2-CE 3.82Å; F8-M16 HydrophobicContact CG-CE 3.7Å; F8-M16 HydrophobicContact CZ-CE 3.68Å; F8-M16 HydrophobicContact CZ-SD 4.21Å; F8-H44 AromaticContact CD1-CE1 3.92Å; F8-H44 AromaticContact CE1-CE1 3.3Å; F8-H44 WeakPolarHBondContact CE1-CE1 3.41Å; F8-H44 AromaticContact CE1-ND1 3.86Å; F8-H44 AromaticContact CE1-NE2 3.49Å; F8-H44 WeakPolarHBondContact CE1-NE2 3.23Å; F8-H44 AromaticContact CE2-CE1 3.92Å; F8-H44 AromaticContact CE2-ND1 3.69Å; F8-H44 AromaticContact CZ-CD2 3.92Å; F8-H44 AromaticContact CZ-CE1 3.3Å; F8-H44 WeakPolarHBondContact CZ-CE1 3.5Å; F8-H44 AromaticContact CZ-CG 3.72Å; F8-H44 AromaticContact CZ-ND1 3.33Å; F8-H44 VanDerWaalsContact CZ-ND1 3.33Å; F8-H44 WeakPolarHBondContact CZ-ND1 3.47Å; F8-H44 AromaticContact CZ-NE2 3.66Å
9	N	61.4	Low	58.9	Low	93 Å²	93	79 Å²	79	50%	0.497	39%	0.391	S	S	.	.			trans	-51.4	136.1	169.1	177.8	-13.3	0	0	0	109.7	K11 S12 K13	N9-K11 PolarHBondContact O-N 3.32Å; N9-K11 PolarHBondContact OD1-N 2.95Å; N9-K11 VanDerWaalsContact OD1-N 3.15Å; N9-S12 PolarHBondContact N-OG 3.2Å; N9-S12 WeakPolarHBondContact O-CA 3.29Å; N9-S12 WeakPolarHBondContact O-CB 3.49Å; N9-S12 PolarHBondContact O-N 3.25Å; N9-S12 PolarHBondContact O-OG 3.32Å; N9-K13 PolarHBondContact O-N 2.68Å
10	E	63	Low	59	Low	124 Å²	124	77.7 Å²	77.7	58%	0.579	39%	0.385	S	S	*	.	H	α-helix	trans	-51.6	-33.3	-179.4	-70.9	-54.6	130.1	0	0	113.2	F8 S12 K13 S14	F8-E10 PolarHBondContact O-N 3.37Å; E10-S12 PolarHBondContact O-N 3.46Å; E10-K13 PolarHBondContact O-N 2.74Å; E10-K13 WeakPolarHBondContact OE1-CD 3.2Å; E10-K13 IonicContact OE1-NZ 3.22Å; E10-K13 PolarHBondContact OE1-NZ 3.39Å; E10-S14 VanDerWaalsContact O-CB 3.28Å; E10-S14 WeakPolarHBondContact O-CB 3.25Å; E10-S14 PolarHBondContact O-N 2.95Å
11	K	64.4	Low	59.2	Low	135 Å²	135	79.2 Å²	79.2	59%	0.587	39%	0.389	S	S	*	.	H	α-helix	trans	-59.2	-45	172.1	-173.2	-178.8	178	-170.5	0	112.4	N9 S14 I15	N9-K11 PolarHBondContact O-N 3.32Å; N9-K11 PolarHBondContact OD1-N 2.95Å; N9-K11 VanDerWaalsContact OD1-N 3.15Å; K11-S14 PolarHBondContact O-N 2.85Å; K11-I15 HydrophobicContact CG-CD1 4.06Å; K11-I15 WeakPolarHBondContact O-CD1 3.33Å; K11-I15 VanDerWaalsContact O-CG1 3.25Å; K11-I15 WeakPolarHBondContact O-CG1 3.29Å; K11-I15 PolarHBondContact O-N 3.34Å
12	S	59	Low	59.7	Low	24 Å²	24	79.7 Å²	79.7	17%	0.168	39%	0.39	C	S	.	.	H	α-helix	trans	-71.6	-38.2	178.6	67.9	0	0	0	0	112.6	F8 N9 E10 I15 M16	F8-S12 VanDerWaalsContact CD1-OG 3.24Å; F8-S12 WeakPolarHBondContact CD1-OG 3.36Å; N9-S12 PolarHBondContact N-OG 3.2Å; N9-S12 WeakPolarHBondContact O-CA 3.29Å; N9-S12 WeakPolarHBondContact O-CB 3.49Å; N9-S12 PolarHBondContact O-N 3.25Å; N9-S12 PolarHBondContact O-OG 3.32Å; E10-S12 PolarHBondContact O-N 3.46Å; S12-I15 PolarHBondContact O-N 2.66Å; S12-M16 WeakPolarHBondContact O-CB 3.48Å; S12-M16 WeakPolarHBondContact O-CE 3.48Å; S12-M16 WeakPolarHBondContact O-CG 3.45Å; S12-M16 PolarHBondContact O-N 3.04Å
13	K	64.2	Low	59.6	Low	25 Å²	25	81 Å²	81	11%	0.109	40%	0.397	C	S	.	.	H	α-helix	trans	-57.9	-49.2	169.7	-66.8	-179.4	-175.6	155.5	0	110.6	L5 F8 N9 E10 M16 I17	L5-K13 WeakPolarHBondContact O-CE 3.12Å; F8-K13 HydrophobicContact CB-CG 3.71Å; F8-K13 WeakPolarHBondContact O-CE 3.27Å; N9-K13 PolarHBondContact O-N 2.68Å; E10-K13 PolarHBondContact O-N 2.74Å; E10-K13 WeakPolarHBondContact OE1-CD 3.2Å; E10-K13 IonicContact OE1-NZ 3.22Å; E10-K13 PolarHBondContact OE1-NZ 3.39Å; K13-M16 PolarHBondContact O-N 3.3Å; K13-I17 WeakPolarHBondContact O-CB 3.16Å; K13-I17 VanDerWaalsContact O-CG1 3.24Å; K13-I17 WeakPolarHBondContact O-CG1 3.31Å; K13-I17 PolarHBondContact O-N 3.35Å
14	S	65.7	Low	59.5	Low	73 Å²	73	77.7 Å²	77.7	51%	0.51	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-46.8	178.7	-176	0	0	0	0	112.3	E10 K11 M16 I17 E18	E10-S14 VanDerWaalsContact O-CB 3.28Å; E10-S14 WeakPolarHBondContact O-CB 3.25Å; E10-S14 PolarHBondContact O-N 2.95Å; K11-S14 PolarHBondContact O-N 2.85Å; S14-M16 PolarHBondContact O-N 3.26Å; S14-I17 PolarHBondContact O-N 2.86Å; S14-E18 WeakPolarHBondContact O-CB 3.37Å; S14-E18 PolarHBondContact O-N 2.98Å
15	I	63.6	Low	59.2	Low	84 Å²	84	75.8 Å²	75.8	43%	0.431	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-45.8	176.1	-70.2	163.8	0	0	0	111.1	K11 S12 E18 Q19	K11-I15 HydrophobicContact CG-CD1 4.06Å; K11-I15 WeakPolarHBondContact O-CD1 3.33Å; K11-I15 VanDerWaalsContact O-CG1 3.25Å; K11-I15 WeakPolarHBondContact O-CG1 3.29Å; K11-I15 PolarHBondContact O-N 3.34Å; S12-I15 PolarHBondContact O-N 2.66Å; I15-E18 PolarHBondContact O-N 3.37Å; I15-Q19 HydrophobicContact CG2-CG 4.4Å; I15-Q19 WeakPolarHBondContact O-CB 3.43Å; I15-Q19 VanDerWaalsContact O-CG 3.31Å; I15-Q19 WeakPolarHBondContact O-CG 3.39Å; I15-Q19 PolarHBondContact O-N 2.93Å
16	M	61.9	Low	58.6	Low	7 Å²	7	79.9 Å²	79.9	3%	0.034	40%	0.398	C	S	.	.	H	α-helix	trans	-65.5	-41.9	178.6	-74.6	-174.5	-78.3	0	0	112.5	F2 F8 S12 K13 S14 M20 M94	F2-M16 HydrophobicContact CD1-CE 4.33Å; F2-M16 HydrophobicContact CE1-CB 4.07Å; F2-M16 HydrophobicContact CE1-CE 3.55Å; F2-M16 HydrophobicContact CE1-SD 3.68Å; F2-M16 HydrophobicContact CE2-CB 4.32Å; F2-M16 HydrophobicContact CZ-CB 3.59Å; F2-M16 HydrophobicContact CZ-CE 4.26Å; F2-M16 HydrophobicContact CZ-CG 4.34Å; F2-M16 HydrophobicContact CZ-SD 3.89Å; F8-M16 HydrophobicContact CB-CE 4.45Å; F8-M16 HydrophobicContact CD1-CE 3.58Å; F8-M16 HydrophobicContact CD2-CE 3.82Å; F8-M16 HydrophobicContact CE1-CE 3.56Å; F8-M16 HydrophobicContact CE1-SD 4.43Å; F8-M16 HydrophobicContact CE2-CE 3.82Å; F8-M16 HydrophobicContact CG-CE 3.7Å; F8-M16 HydrophobicContact CZ-CE 3.68Å; F8-M16 HydrophobicContact CZ-SD 4.21Å; S12-M16 WeakPolarHBondContact O-CB 3.48Å; S12-M16 WeakPolarHBondContact O-CE 3.48Å; S12-M16 WeakPolarHBondContact O-CG 3.45Å; S12-M16 PolarHBondContact O-N 3.04Å; K13-M16 PolarHBondContact O-N 3.3Å; S14-M16 PolarHBondContact O-N 3.26Å; M16-M20 VanDerWaalsContact O-CB 3.28Å; M16-M20 WeakPolarHBondContact O-CB 3.47Å; M16-M20 VanDerWaalsContact O-CG 3.3Å; M16-M20 WeakPolarHBondContact O-CG 3.46Å; M16-M20 PolarHBondContact O-N 2.97Å; M16-M94 HydrophobicContact CG-CE 3.8Å; M16-M94 HydrophobicContact CG-SD 4Å; M16-M94 HydrophobicContact SD-CE 4.08Å
17	I	66.4	Low	57.9	Low	71 Å²	71	79 Å²	79	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-44.5	176.1	-71.7	165.6	0	0	0	110.7	F2 K13 S14 M20 K21	F2-I17 HydrophobicContact CD2-CD1 4.41Å; F2-I17 HydrophobicContact CD2-CG1 3.91Å; F2-I17 HydrophobicContact CE2-CG1 4.14Å; K13-I17 WeakPolarHBondContact O-CB 3.16Å; K13-I17 VanDerWaalsContact O-CG1 3.24Å; K13-I17 WeakPolarHBondContact O-CG1 3.31Å; K13-I17 PolarHBondContact O-N 3.35Å; S14-I17 PolarHBondContact O-N 2.86Å; I17-M20 WeakPolarHBondContact O-CB 3.41Å; I17-M20 PolarHBondContact O-N 3.18Å; I17-K21 WeakPolarHBondContact O-CG 3.48Å; I17-K21 PolarHBondContact O-N 3.05Å
18	E	66.4	Low	57.6	Low	82 Å²	82	81.2 Å²	81.2	38%	0.383	40%	0.403	S	S	.	.	H	α-helix	trans	-73.5	-36.2	-177.1	-152.5	59.5	-150.3	0	0	112.1	S14 I15 M20 K21 Q22	S14-E18 WeakPolarHBondContact O-CB 3.37Å; S14-E18 PolarHBondContact O-N 2.98Å; I15-E18 PolarHBondContact O-N 3.37Å; E18-M20 VanDerWaalsContact C-N 3.35Å; E18-K21 PolarHBondContact O-N 2.79Å; E18-K21 IonicContact OE1-NZ 3.67Å; E18-K21 VanDerWaalsContact OE2-CD 3.31Å; E18-K21 WeakPolarHBondContact OE2-CD 3.46Å; E18-K21 WeakPolarHBondContact OE2-CE 3.38Å; E18-K21 IonicContact OE2-NZ 2.93Å; E18-K21 PolarHBondContact OE2-NZ 3.21Å; E18-Q22 WeakPolarHBondContact O-CG 3.42Å; E18-Q22 PolarHBondContact O-N 3.32Å
19	Q	57.7	Low	57.6	Low	59 Å²	59	83.4 Å²	83.4	28%	0.276	41%	0.411	S	S	.	.	H	α-helix	trans	-64.2	-38.8	167.6	-73.4	-58	-59.9	0	0	111.9	I15 Q22 Q23 F90	I15-Q19 HydrophobicContact CG2-CG 4.4Å; I15-Q19 WeakPolarHBondContact O-CB 3.43Å; I15-Q19 VanDerWaalsContact O-CG 3.31Å; I15-Q19 WeakPolarHBondContact O-CG 3.39Å; I15-Q19 PolarHBondContact O-N 2.93Å; Q19-Q22 PolarHBondContact O-N 3.29Å; Q19-Q23 WeakPolarHBondContact O-CB 3.29Å; Q19-Q23 WeakPolarHBondContact O-CG 3.42Å; Q19-Q23 PolarHBondContact O-N 3.04Å; Q19-F90 HydrophobicContact CB-CZ 4.5Å; Q19-F90 HydrophobicContact CG-CZ 4.3Å
20	M	59.5	Low	57.2	Low	53 Å²	53	84.3 Å²	84.3	26%	0.261	42%	0.416	S	S	.	.	H	α-helix	trans	-63.8	-40	174.7	-83.6	-165.8	142.4	0	0	112.4	F2 M16 I17 E18 Q23 Y24 Y29 F37	F2-M20 HydrophobicContact CE2-SD 4.01Å; M16-M20 VanDerWaalsContact O-CB 3.28Å; M16-M20 WeakPolarHBondContact O-CB 3.47Å; M16-M20 VanDerWaalsContact O-CG 3.3Å; M16-M20 WeakPolarHBondContact O-CG 3.46Å; M16-M20 PolarHBondContact O-N 2.97Å; I17-M20 WeakPolarHBondContact O-CB 3.41Å; I17-M20 PolarHBondContact O-N 3.18Å; E18-M20 VanDerWaalsContact C-N 3.35Å; M20-Q23 PolarHBondContact O-N 2.92Å; M20-Y24 WeakPolarHBondContact O-CB 3.31Å; M20-Y24 PolarHBondContact O-N 3.16Å; M20-Y29 PolarHBondContact O-OH 2.83Å; M20-F37 HydrophobicContact CE-CD1 3.62Å; M20-F37 HydrophobicContact CE-CD2 4.12Å; M20-F37 HydrophobicContact CE-CE1 3.26Å; M20-F37 HydrophobicContact CE-CE2 3.81Å; M20-F37 HydrophobicContact CE-CG 4.02Å; M20-F37 HydrophobicContact CE-CZ 3.34Å; M20-F37 HydrophobicContact SD-CE1 4.29Å; M20-F37 HydrophobicContact SD-CZ 4.07Å
21	K	62.8	Low	56.7	Low	109 Å²	109	86.5 Å²	86.5	47%	0.474	42%	0.424	S	S	.	.	H	α-helix	trans	-62.7	-47.7	171.6	-70.4	169.7	-175.4	170	0	111.4	I17 E18 Q23 Y24 C25	I17-K21 WeakPolarHBondContact O-CG 3.48Å; I17-K21 PolarHBondContact O-N 3.05Å; E18-K21 PolarHBondContact O-N 2.79Å; E18-K21 IonicContact OE1-NZ 3.67Å; E18-K21 VanDerWaalsContact OE2-CD 3.31Å; E18-K21 WeakPolarHBondContact OE2-CD 3.46Å; E18-K21 WeakPolarHBondContact OE2-CE 3.38Å; E18-K21 IonicContact OE2-NZ 2.93Å; E18-K21 PolarHBondContact OE2-NZ 3.21Å; K21-Q23 VanDerWaalsContact C-N 3.27Å; K21-Q23 PolarHBondContact O-N 3.24Å; K21-Y24 PolarHBondContact O-N 2.88Å; K21-C25 PolarHBondContact O-N 3.15Å; K21-C25 PolarHBondContact O-SG 2.85Å
22	Q	59.6	Low	56.4	Low	100 Å²	100	85.9 Å²	85.9	47%	0.467	42%	0.423	S	S	.	.	H	α-helix	trans	-57.9	-39.6	177	-73.1	178.1	13.4	0	0	111.9	E18 Q19 L26	E18-Q22 WeakPolarHBondContact O-CG 3.42Å; E18-Q22 PolarHBondContact O-N 3.32Å; Q19-Q22 PolarHBondContact O-N 3.29Å; Q22-L26 WeakPolarHBondContact O-CG 3.2Å; Q22-L26 PolarHBondContact O-N 3.04Å
23	Q	53	Low	56.3	Low	58 Å²	58	86.4 Å²	86.4	27%	0.271	42%	0.423	S	S	.	.	H	α-helix	trans	-79.5	-32	176.7	-67.5	-148.1	22.9	0	0	114.1	Q19 M20 K21 C25 L26 L27 Y29	Q19-Q23 WeakPolarHBondContact O-CB 3.29Å; Q19-Q23 WeakPolarHBondContact O-CG 3.42Å; Q19-Q23 PolarHBondContact O-N 3.04Å; M20-Q23 PolarHBondContact O-N 2.92Å; K21-Q23 VanDerWaalsContact C-N 3.27Å; K21-Q23 PolarHBondContact O-N 3.24Å; Q23-C25 VanDerWaalsContact C-N 3.31Å; Q23-C25 PolarHBondContact O-N 3.28Å; Q23-L26 CarbonylContact O-C 3.55Å; Q23-L26 WeakPolarHBondContact O-CA 3.38Å; Q23-L26 PolarHBondContact O-N 3.25Å; Q23-L27 PolarHBondContact O-N 3.26Å; Q23-Y29 WeakPolarHBondContact CB-OH 3.43Å
24	Y	53.7	Low	56	Low	131 Å²	131	86.9 Å²	86.9	51%	0.514	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-39.5	172.5	-170.2	-90.9	0	0	0	111	M20 K21 L26 Y29	M20-Y24 WeakPolarHBondContact O-CB 3.31Å; M20-Y24 PolarHBondContact O-N 3.16Å; K21-Y24 PolarHBondContact O-N 2.88Å; Y24-L26 PolarHBondContact O-N 3.05Å; Y24-Y29 HydrophobicContact CD2-CD2 4.44Å; Y24-Y29 HydrophobicContact CD2-CE2 4.04Å
25	C	46.3	Very low	55.8	Low	92 Å²	92	86.6 Å²	86.6	62%	0.622	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.2	168.3	-71.9	0	0	0	0	113.4	K21 Q23 K467	K21-C25 PolarHBondContact O-N 3.15Å; K21-C25 PolarHBondContact O-SG 2.85Å; Q23-C25 VanDerWaalsContact C-N 3.31Å; Q23-C25 PolarHBondContact O-N 3.28Å; C25-K467 VanDerWaalsContact O-CE 3.28Å; C25-K467 WeakPolarHBondContact O-CE 3.49Å; C25-K467 PolarHBondContact O-NZ 2.69Å
26	L	42.7	Very low	55.5	Low	102 Å²	102	84.6 Å²	84.6	53%	0.534	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-47.7	-174.4	-77.7	171.7	0	0	0	114.6	Q22 Q23 Y24 K467	Q22-L26 WeakPolarHBondContact O-CG 3.2Å; Q22-L26 PolarHBondContact O-N 3.04Å; Q23-L26 CarbonylContact O-C 3.55Å; Q23-L26 WeakPolarHBondContact O-CA 3.38Å; Q23-L26 PolarHBondContact O-N 3.25Å; Y24-L26 PolarHBondContact O-N 3.05Å; L26-K467 VanDerWaalsContact CA-NZ 3.31Å; L26-K467 PolarHBondContact O-NZ 3.35Å
27	L	37.2	Very low	55.5	Low	112 Å²	112	84.8 Å²	84.8	59%	0.586	41%	0.414	S	S	*	.			trans	-140.6	140	-173.9	-77.4	165.7	0	0	0	112.6	Q23 Y29	Q23-L27 PolarHBondContact O-N 3.26Å; L27-Y29 PolarHBondContact O-N 3.39Å
28	Q	49	Very low	55.5	Low	154 Å²	154	82.3 Å²	82.3	72%	0.72	40%	0.402	S	S	*	.			trans	-66.4	112.8	163.4	-158.7	162.2	8.5	0	0	106.4	D30 Y158	Q28-D30 PolarHBondContact O-N 3.11Å; Q28-D30 VanDerWaalsContact O-N 3.17Å; Q28-Y158 PolarHBondContact NE2-OH 2.89Å
29	Y	51.9	Low	55.3	Low	64 Å²	64	82.1 Å²	82.1	25%	0.251	40%	0.403	S	S	.	.			trans	-59.2	119.1	-174.8	-72.6	-95.3	0	0	0	109.9	M20 Q23 Y24 L27 M33	M20-Y29 PolarHBondContact O-OH 2.83Å; Q23-Y29 WeakPolarHBondContact CB-OH 3.43Å; Y24-Y29 HydrophobicContact CD2-CD2 4.44Å; Y24-Y29 HydrophobicContact CD2-CE2 4.04Å; L27-Y29 PolarHBondContact O-N 3.39Å; Y29-M33 HydrophobicContact CD1-CB 4.41Å; Y29-M33 HydrophobicContact CD1-CG 3.93Å; Y29-M33 HydrophobicContact CD1-SD 3.43Å; Y29-M33 WeakPolarHBondContact CD1-SD 3.46Å; Y29-M33 HydrophobicContact CE1-CG 4.45Å; Y29-M33 HydrophobicContact CE1-SD 3.72Å; Y29-M33 HydrophobicContact CG-SD 4.45Å
30	D	54.1	Low	55.7	Low	112 Å²	112	79.6 Å²	79.6	60%	0.599	39%	0.391	S	S	*	.			trans	-67.8	153.3	171.5	-152	-31.1	0	0	0	109.6	Q28 E32 M33 V34	Q28-D30 PolarHBondContact O-N 3.11Å; Q28-D30 VanDerWaalsContact O-N 3.17Å; D30-E32 PolarHBondContact O-N 3.15Å; D30-E32 VanDerWaalsContact O-N 3.15Å; D30-M33 PolarHBondContact O-N 3.41Å; D30-V34 PolarHBondContact O-N 3.33Å; D30-V34 VanDerWaalsContact O-N 3.14Å
31	K	52.1	Low	55.9	Low	170 Å²	170	77.5 Å²	77.5	74%	0.739	38%	0.381	S	S	*	.	H	α-helix	trans	-52.1	-40.2	-179.9	-174.9	-180	178.7	-176.4	0	110.9	V34 T35	K31-V34 PolarHBondContact O-N 2.73Å; K31-T35 WeakPolarHBondContact O-CB 3.18Å; K31-T35 PolarHBondContact O-N 2.77Å; K31-T35 PolarHBondContact O-OG1 3.27Å
32	E	57.4	Low	56	Low	121 Å²	121	75.6 Å²	75.6	57%	0.565	38%	0.376	S	S	*	.	H	α-helix	trans	-61.4	-42.7	175.8	-174.3	173.8	-165.8	0	0	113.1	D30 V34 T35 N36	D30-E32 PolarHBondContact O-N 3.15Å; D30-E32 VanDerWaalsContact O-N 3.15Å; E32-V34 PolarHBondContact O-N 2.79Å; E32-T35 PolarHBondContact O-N 3.39Å; E32-N36 WeakPolarHBondContact O-CB 3.33Å; E32-N36 PolarHBondContact O-N 3.37Å; E32-N36 PolarHBondContact O-ND2 3.24Å
33	M	57	Low	56	Low	35 Å²	35	75.2 Å²	75.2	17%	0.172	37%	0.374	C	S	.	.	H	α-helix	trans	-67.7	-38.4	178.8	-169.4	-179.5	-68.8	0	0	111.6	Y29 D30 F37	Y29-M33 HydrophobicContact CD1-CB 4.41Å; Y29-M33 HydrophobicContact CD1-CG 3.93Å; Y29-M33 HydrophobicContact CD1-SD 3.43Å; Y29-M33 WeakPolarHBondContact CD1-SD 3.46Å; Y29-M33 HydrophobicContact CE1-CG 4.45Å; Y29-M33 HydrophobicContact CE1-SD 3.72Å; Y29-M33 HydrophobicContact CG-SD 4.45Å; D30-M33 PolarHBondContact O-N 3.41Å; M33-F37 WeakPolarHBondContact O-CB 3.38Å; M33-F37 PolarHBondContact O-N 3.39Å
34	V	57.9	Low	56.2	Low	36 Å²	36	73 Å²	73	22%	0.218	36%	0.364	C	S	.	.	H	α-helix	trans	-64.4	-47.1	173.4	-178.2	0	0	0	0	110.3	D30 K31 E32 N36 F37 L38 L166	D30-V34 PolarHBondContact O-N 3.33Å; D30-V34 VanDerWaalsContact O-N 3.14Å; K31-V34 PolarHBondContact O-N 2.73Å; E32-V34 PolarHBondContact O-N 2.79Å; V34-N36 PolarHBondContact O-N 3.08Å; V34-F37 PolarHBondContact O-N 2.88Å; V34-L38 HydrophobicContact CG1-CD1 3.63Å; V34-L38 VanDerWaalsContact O-CD1 3.28Å; V34-L38 WeakPolarHBondContact O-CD1 3.33Å; V34-L38 PolarHBondContact O-N 3.11Å; V34-L166 HydrophobicContact CG1-CD2 4.2Å
35	T	61.3	Low	56.6	Low	67 Å²	67	72.7 Å²	72.7	41%	0.411	36%	0.363	S	S	.	.	H	α-helix	trans	-59.2	-45.9	176.7	-62.4	0	0	0	0	111.9	K31 E32 F37 L38 N39	K31-T35 WeakPolarHBondContact O-CB 3.18Å; K31-T35 PolarHBondContact O-N 2.77Å; K31-T35 PolarHBondContact O-OG1 3.27Å; E32-T35 PolarHBondContact O-N 3.39Å; T35-F37 VanDerWaalsContact C-N 3.28Å; T35-F37 PolarHBondContact O-N 3.14Å; T35-L38 PolarHBondContact O-N 3.06Å; T35-N39 WeakPolarHBondContact O-CB 3.39Å; T35-N39 VanDerWaalsContact O-CG 3.25Å; T35-N39 PolarHBondContact O-N 2.62Å
36	N	56.9	Low	57.3	Low	41 Å²	41	72.5 Å²	72.5	22%	0.219	35%	0.354	C	S	.	.	H	α-helix	trans	-65.1	-31.4	179.1	-69.6	-15.7	0	0	0	112.7	E32 V34 F40 Y85	E32-N36 WeakPolarHBondContact O-CB 3.33Å; E32-N36 PolarHBondContact O-N 3.37Å; E32-N36 PolarHBondContact O-ND2 3.24Å; V34-N36 PolarHBondContact O-N 3.08Å; N36-F40 WeakPolarHBondContact O-CB 3.35Å; N36-F40 PolarHBondContact O-N 2.95Å; N36-Y85 PolarHBondContact O-OH 2.9Å; N36-Y85 VanDerWaalsContact O-OH 3.08Å
37	F	63	Low	58	Low	12 Å²	12	70.7 Å²	70.7	5%	0.053	34%	0.341	C	S	.	.	H	α-helix	trans	-72.8	-42	173.1	178.5	-110.8	0	0	0	112.9	M1 F2 M20 M33 V34 T35 N39 F40 I41 W91	M1-F37 HydrophobicContact CE-CD1 3.93Å; M1-F37 HydrophobicContact CE-CE1 3.68Å; F2-F37 HydrophobicContact CE2-CZ 4.31Å; F2-F37 HydrophobicContact CZ-CE2 4.49Å; F2-F37 AromaticContact CZ-CZ 3.77Å; F2-F37 HydrophobicContact CZ-CZ 3.77Å; M20-F37 HydrophobicContact CE-CD1 3.62Å; M20-F37 HydrophobicContact CE-CD2 4.12Å; M20-F37 HydrophobicContact CE-CE1 3.26Å; M20-F37 HydrophobicContact CE-CE2 3.81Å; M20-F37 HydrophobicContact CE-CG 4.02Å; M20-F37 HydrophobicContact CE-CZ 3.34Å; M20-F37 HydrophobicContact SD-CE1 4.29Å; M20-F37 HydrophobicContact SD-CZ 4.07Å; M33-F37 WeakPolarHBondContact O-CB 3.38Å; M33-F37 PolarHBondContact O-N 3.39Å; V34-F37 PolarHBondContact O-N 2.88Å; T35-F37 VanDerWaalsContact C-N 3.28Å; T35-F37 PolarHBondContact O-N 3.14Å; F37-N39 VanDerWaalsContact C-N 3.34Å; F37-F40 PolarHBondContact O-N 3.01Å; F37-I41 HydrophobicContact CD1-CD1 4.11Å; F37-I41 HydrophobicContact CE1-CD1 3.39Å; F37-I41 HydrophobicContact CE1-CG1 4.31Å; F37-I41 HydrophobicContact CE2-CD1 4.09Å; F37-I41 HydrophobicContact CE2-CG1 4.26Å; F37-I41 HydrophobicContact CZ-CD1 3.39Å; F37-I41 HydrophobicContact CZ-CG1 4.06Å; F37-I41 PolarHBondContact O-N 3.34Å; F37-W91 AromaticContact CD2-CH2 3.37Å; F37-W91 HydrophobicContact CD2-CH2 3.37Å; F37-W91 HydrophobicContact CD2-CZ2 4.03Å; F37-W91 AromaticContact CD2-CZ3 3.69Å; F37-W91 HydrophobicContact CD2-CZ3 3.69Å; F37-W91 AromaticContact CE2-CH2 3.74Å; F37-W91 HydrophobicContact CE2-CH2 3.74Å; F37-W91 AromaticContact CE2-CZ3 3.91Å; F37-W91 HydrophobicContact CE2-CZ3 3.91Å; F37-W91 HydrophobicContact CG-CH2 4.44Å
38	L	65.2	Low	58.6	Low	19 Å²	19	66.5 Å²	66.5	10%	0.099	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-41.4	171.8	-90.1	107.3	0	0	0	111.5	M1 V34 T35 F40 I41 N42 L166 T170	M1-L38 HydrophobicContact CE-CD1 4.06Å; M1-L38 HydrophobicContact CE-CG 4.03Å; M1-L38 HydrophobicContact SD-CD2 4.44Å; M1-L38 HydrophobicContact SD-CG 4.22Å; V34-L38 HydrophobicContact CG1-CD1 3.63Å; V34-L38 VanDerWaalsContact O-CD1 3.28Å; V34-L38 WeakPolarHBondContact O-CD1 3.33Å; V34-L38 PolarHBondContact O-N 3.11Å; T35-L38 PolarHBondContact O-N 3.06Å; L38-F40 VanDerWaalsContact C-N 3.34Å; L38-F40 PolarHBondContact O-N 3.48Å; L38-I41 PolarHBondContact O-N 2.73Å; L38-N42 WeakPolarHBondContact O-CB 3.35Å; L38-N42 VanDerWaalsContact O-CG 3.26Å; L38-N42 PolarHBondContact O-N 2.92Å; L38-L166 HydrophobicContact CD1-CD2 4.23Å; L38-T170 HydrophobicContact CD2-CG2 3.67Å
39	N	63.6	Low	58.7	Low	78 Å²	78	61.1 Å²	61.1	42%	0.417	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-41	174.5	-70.3	-10.1	0	0	0	111.8	T35 F37 N42 H43	T35-N39 WeakPolarHBondContact O-CB 3.39Å; T35-N39 VanDerWaalsContact O-CG 3.25Å; T35-N39 PolarHBondContact O-N 2.62Å; F37-N39 VanDerWaalsContact C-N 3.34Å; N39-N42 PolarHBondContact O-N 3.45Å; N39-H43 WeakPolarHBondContact O-CB 3.38Å; N39-H43 PolarHBondContact O-N 3.31Å
40	F	65.5	Low	58.4	Low	6 Å²	6	63.2 Å²	63.2	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-46.1	174.2	171.6	-95.6	0	0	0	112.2	N36 F37 L38 H43 H44 Y85 W91 M94 L95	N36-F40 WeakPolarHBondContact O-CB 3.35Å; N36-F40 PolarHBondContact O-N 2.95Å; F37-F40 PolarHBondContact O-N 3.01Å; L38-F40 VanDerWaalsContact C-N 3.34Å; L38-F40 PolarHBondContact O-N 3.48Å; F40-H43 PolarHBondContact O-N 3.46Å; F40-H44 WeakPolarHBondContact O-CB 3.26Å; F40-H44 PolarHBondContact O-N 3.22Å; F40-Y85 PolarHBondContact N-OH 3.5Å; F40-W91 HydrophobicContact CD1-CE3 4.09Å; F40-W91 HydrophobicContact CD1-CZ3 4.17Å; F40-W91 HydrophobicContact CD2-CE3 4.4Å; F40-W91 HydrophobicContact CE1-CE3 4.23Å; F40-W91 HydrophobicContact CE1-CZ3 4.27Å; F40-W91 HydrophobicContact CG-CE3 4.18Å; F40-W91 HydrophobicContact CZ-CE3 4.45Å; F40-M94 HydrophobicContact CE1-CE 4.26Å; F40-M94 HydrophobicContact CZ-CE 4.28Å; F40-M94 HydrophobicContact CZ-CG 4.32Å; F40-L95 HydrophobicContact CD2-CD1 4.23Å; F40-L95 HydrophobicContact CE2-CB 4.11Å; F40-L95 HydrophobicContact CE2-CD1 3.77Å
41	I	64.7	Low	58	Low	8 Å²	8	61.8 Å²	61.8	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-47.9	175.4	-76.8	-179.4	0	0	0	110.9	M1 L5 F37 L38 H44 Y45	M1-I41 HydrophobicContact CE-CD1 4.13Å; M1-I41 HydrophobicContact SD-CD1 3.71Å; L5-I41 HydrophobicContact CD1-CG2 4.03Å; L5-I41 HydrophobicContact CD2-CG2 4.07Å; F37-I41 HydrophobicContact CD1-CD1 4.11Å; F37-I41 HydrophobicContact CE1-CD1 3.39Å; F37-I41 HydrophobicContact CE1-CG1 4.31Å; F37-I41 HydrophobicContact CE2-CD1 4.09Å; F37-I41 HydrophobicContact CE2-CG1 4.26Å; F37-I41 HydrophobicContact CZ-CD1 3.39Å; F37-I41 HydrophobicContact CZ-CG1 4.06Å; F37-I41 PolarHBondContact O-N 3.34Å; L38-I41 PolarHBondContact O-N 2.73Å; I41-H44 PolarHBondContact O-N 3.43Å; I41-Y45 WeakPolarHBondContact O-CB 3.39Å; I41-Y45 PolarHBondContact O-N 2.91Å
42	N	63	Low	57.5	Low	70 Å²	70	57.2 Å²	57.2	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-44	-179.2	-72.2	-11.2	0	0	0	111.5	L38 N39 Y45 I46	L38-N42 WeakPolarHBondContact O-CB 3.35Å; L38-N42 VanDerWaalsContact O-CG 3.26Å; L38-N42 PolarHBondContact O-N 2.92Å; N39-N42 PolarHBondContact O-N 3.45Å; N42-Y45 PolarHBondContact O-N 2.89Å; N42-I46 WeakPolarHBondContact O-CB 3.15Å; N42-I46 VanDerWaalsContact O-CG1 3.26Å; N42-I46 WeakPolarHBondContact O-CG1 3.29Å; N42-I46 PolarHBondContact O-N 3.27Å
43	H	60.1	Low	56.7	Low	91 Å²	91	57.2 Å²	57.2	42%	0.421	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-40.6	177.4	-170.3	-68.8	0	0	0	112	N39 F40 W47	N39-H43 WeakPolarHBondContact O-CB 3.38Å; N39-H43 PolarHBondContact O-N 3.31Å; F40-H43 PolarHBondContact O-N 3.46Å; H43-W47 VanDerWaalsContact O-CB 3.23Å; H43-W47 WeakPolarHBondContact O-CB 3.26Å; H43-W47 PolarHBondContact O-N 2.66Å
44	H	58.5	Low	55.9	Low	11 Å²	11	60.2 Å²	60.2	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-67.8	-36.6	175.9	-173.3	-83.7	0	0	0	112.1	F8 F40 I41 N48	F8-H44 AromaticContact CD1-CE1 3.92Å; F8-H44 AromaticContact CE1-CE1 3.3Å; F8-H44 WeakPolarHBondContact CE1-CE1 3.41Å; F8-H44 AromaticContact CE1-ND1 3.86Å; F8-H44 AromaticContact CE1-NE2 3.49Å; F8-H44 WeakPolarHBondContact CE1-NE2 3.23Å; F8-H44 AromaticContact CE2-CE1 3.92Å; F8-H44 AromaticContact CE2-ND1 3.69Å; F8-H44 AromaticContact CZ-CD2 3.92Å; F8-H44 AromaticContact CZ-CE1 3.3Å; F8-H44 WeakPolarHBondContact CZ-CE1 3.5Å; F8-H44 AromaticContact CZ-CG 3.72Å; F8-H44 AromaticContact CZ-ND1 3.33Å; F8-H44 VanDerWaalsContact CZ-ND1 3.33Å; F8-H44 WeakPolarHBondContact CZ-ND1 3.47Å; F8-H44 AromaticContact CZ-NE2 3.66Å; F40-H44 WeakPolarHBondContact O-CB 3.26Å; F40-H44 PolarHBondContact O-N 3.22Å; I41-H44 PolarHBondContact O-N 3.43Å; H44-N48 PolarHBondContact CE1-ND2 3.47Å; H44-N48 WeakPolarHBondContact O-CB 3.42Å; H44-N48 PolarHBondContact O-N 3.39Å
45	Y	61.3	Low	55	Low	126 Å²	126	63.9 Å²	63.9	49%	0.494	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-52.7	172.8	178.1	-101	0	0	0	111.1	I41 N42 W47 N48 C49	I41-Y45 WeakPolarHBondContact O-CB 3.39Å; I41-Y45 PolarHBondContact O-N 2.91Å; N42-Y45 PolarHBondContact O-N 2.89Å; Y45-W47 VanDerWaalsContact C-N 3.34Å; Y45-W47 PolarHBondContact O-N 3.13Å; Y45-N48 PolarHBondContact O-N 3.32Å; Y45-C49 PolarHBondContact O-N 3.41Å; Y45-C49 PolarHBondContact O-SG 3.33Å
46	I	60.5	Low	53.6	Low	87 Å²	87	66.9 Å²	66.9	45%	0.446	34%	0.339	S	S	.	.	H	α-helix	trans	-57.1	-46.5	177	-68.7	164.3	0	0	0	110.8	N42 N48 C49 Y50	N42-I46 WeakPolarHBondContact O-CB 3.15Å; N42-I46 VanDerWaalsContact O-CG1 3.26Å; N42-I46 WeakPolarHBondContact O-CG1 3.29Å; N42-I46 PolarHBondContact O-N 3.27Å; I46-N48 PolarHBondContact O-N 3.02Å; I46-C49 WeakPolarHBondContact O-CB 3.26Å; I46-C49 PolarHBondContact O-N 3.27Å; I46-Y50 HydrophobicContact CG2-CD2 3.84Å; I46-Y50 HydrophobicContact CG2-CE2 3.91Å; I46-Y50 WeakPolarHBondContact O-CD2 3.33Å; I46-Y50 PolarHBondContact O-N 2.84Å
47	W	58	Low	52.2	Low	65 Å²	65	70.1 Å²	70.1	25%	0.246	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-41.8	179.1	-172.4	84.7	0	0	0	112.6	H43 Y45 Y50 H51 V99 A102	H43-W47 VanDerWaalsContact O-CB 3.23Å; H43-W47 WeakPolarHBondContact O-CB 3.26Å; H43-W47 PolarHBondContact O-N 2.66Å; Y45-W47 VanDerWaalsContact C-N 3.34Å; Y45-W47 PolarHBondContact O-N 3.13Å; W47-Y50 PolarHBondContact O-N 3.38Å; W47-H51 AromaticContact CD2-CD2 3.99Å; W47-H51 AromaticContact CE2-CD2 3.46Å; W47-H51 VanDerWaalsContact CE2-CD2 3.46Å; W47-H51 AromaticContact CE2-NE2 3.91Å; W47-H51 AromaticContact CH2-CD2 3.56Å; W47-H51 AromaticContact CH2-NE2 3.87Å; W47-H51 AromaticContact CZ2-CD2 3.25Å; W47-H51 WeakPolarHBondContact CZ2-CD2 3.47Å; W47-H51 AromaticContact CZ2-NE2 3.38Å; W47-H51 WeakPolarHBondContact CZ2-NE2 3.46Å; W47-H51 AromaticContact NE1-CD2 3.97Å; W47-H51 PolarHBondContact O-N 2.96Å; W47-V99 HydrophobicContact CH2-CG2 4.27Å; W47-V99 HydrophobicContact CZ2-CG1 4.48Å; W47-V99 HydrophobicContact CZ2-CG2 4.04Å; W47-A102 HydrophobicContact CH2-CB 3.79Å; W47-A102 HydrophobicContact CZ3-CB 4.02Å
48	N	49.1	Very low	50.7	Low	24 Å²	24	79.7 Å²	79.7	13%	0.128	40%	0.402	C	S	.	.	H	α-helix	trans	-68.8	-35	173.8	-85.2	-10.1	0	0	0	113	H44 Y45 I46 Y50 H51 N52	H44-N48 PolarHBondContact CE1-ND2 3.47Å; H44-N48 WeakPolarHBondContact O-CB 3.42Å; H44-N48 PolarHBondContact O-N 3.39Å; Y45-N48 PolarHBondContact O-N 3.32Å; I46-N48 PolarHBondContact O-N 3.02Å; N48-Y50 VanDerWaalsContact C-N 3.35Å; N48-H51 PolarHBondContact O-N 3.33Å; N48-N52 VanDerWaalsContact O-CB 3.29Å; N48-N52 WeakPolarHBondContact O-CB 3.26Å; N48-N52 PolarHBondContact O-N 2.89Å
49	C	51.8	Low	48.9	Very low	40 Å²	40	85.1 Å²	85.1	27%	0.27	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-43.6	172	-69.9	0	0	0	0	111.1	Y45 I46 N53	Y45-C49 PolarHBondContact O-N 3.41Å; Y45-C49 PolarHBondContact O-SG 3.33Å; I46-C49 WeakPolarHBondContact O-CB 3.26Å; I46-C49 PolarHBondContact O-N 3.27Å; C49-N53 VanDerWaalsContact O-CB 3.29Å; C49-N53 WeakPolarHBondContact O-CB 3.19Å; C49-N53 PolarHBondContact O-N 3.43Å
50	Y	45.3	Very low	47.3	Very low	109 Å²	109	87.9 Å²	87.9	43%	0.427	45%	0.446	S	S	.	.	H	α-helix	trans	-60.4	-47.4	172.4	-91.9	-78.9	0	0	0	112.3	I46 W47 N48 S54 I67 L71	I46-Y50 HydrophobicContact CG2-CD2 3.84Å; I46-Y50 HydrophobicContact CG2-CE2 3.91Å; I46-Y50 WeakPolarHBondContact O-CD2 3.33Å; I46-Y50 PolarHBondContact O-N 2.84Å; W47-Y50 PolarHBondContact O-N 3.38Å; N48-Y50 VanDerWaalsContact C-N 3.35Å; Y50-S54 WeakPolarHBondContact O-CB 3.32Å; Y50-S54 PolarHBondContact O-N 3.44Å; Y50-I67 VanDerWaalsContact OH-CG2 3.26Å; Y50-I67 WeakPolarHBondContact OH-CG2 3.33Å; Y50-L71 WeakPolarHBondContact OH-CD1 3.45Å
51	H	46.5	Very low	45.5	Very low	81 Å²	81	95.3 Å²	95.3	38%	0.375	49%	0.486	S	S	.	.	H	α-helix	trans	-69.2	-36.9	-178.6	-107.1	-75.2	0	0	0	113.9	W47 N48	W47-H51 AromaticContact CD2-CD2 3.99Å; W47-H51 AromaticContact CE2-CD2 3.46Å; W47-H51 VanDerWaalsContact CE2-CD2 3.46Å; W47-H51 AromaticContact CE2-NE2 3.91Å; W47-H51 AromaticContact CH2-CD2 3.56Å; W47-H51 AromaticContact CH2-NE2 3.87Å; W47-H51 AromaticContact CZ2-CD2 3.25Å; W47-H51 WeakPolarHBondContact CZ2-CD2 3.47Å; W47-H51 AromaticContact CZ2-NE2 3.38Å; W47-H51 WeakPolarHBondContact CZ2-NE2 3.46Å; W47-H51 AromaticContact NE1-CD2 3.97Å; W47-H51 PolarHBondContact O-N 2.96Å; N48-H51 PolarHBondContact O-N 3.33Å
52	N	42	Very low	44	Very low	75 Å²	75	99.7 Å²	99.7	40%	0.401	51%	0.509	S	S	.	.	H	α-helix	trans	-75.3	-36.7	178.1	-75.1	-8.9	0	0	0	112	H7 N48 S54 N55	H7-N52 PolarHBondContact CD2-ND2 3.38Å; H7-N52 VanDerWaalsContact CD2-ND2 3.27Å; H7-N52 PolarHBondContact NE2-ND2 3.45Å; N48-N52 VanDerWaalsContact O-CB 3.29Å; N48-N52 WeakPolarHBondContact O-CB 3.26Å; N48-N52 PolarHBondContact O-N 2.89Å; N52-S54 VanDerWaalsContact C-N 3.35Å; N52-N55 PolarHBondContact O-N 3.23Å
53	N	40.6	Very low	42.6	Very low	120 Å²	120	100.1 Å²	100.1	64%	0.642	51%	0.512	S	S	*	.	H	α-helix	trans	-70.1	-31.2	174	-75.3	-4.8	0	0	0	112.3	C49 N55 N56	C49-N53 VanDerWaalsContact O-CB 3.29Å; C49-N53 WeakPolarHBondContact O-CB 3.19Å; C49-N53 PolarHBondContact O-N 3.43Å; N53-N55 PolarHBondContact O-N 2.97Å; N53-N55 VanDerWaalsContact O-N 3.14Å; N53-N56 PolarHBondContact O-N 2.92Å; N53-N56 VanDerWaalsContact O-N 3.14Å
54	S	39.6	Very low	41.3	Very low	99 Å²	99	101.8 Å²	101.8	69%	0.692	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-20	174.1	-162.9	0	0	0	0	113.7	Y50 N52	Y50-S54 WeakPolarHBondContact O-CB 3.32Å; Y50-S54 PolarHBondContact O-N 3.44Å; N52-S54 VanDerWaalsContact C-N 3.35Å
55	N	37.8	Very low	40.1	Very low	112 Å²	112	106.3 Å²	106.3	60%	0.599	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-7.5	177.8	-73.2	-28.9	0	0	0	114.2	N52 N53	N52-N55 PolarHBondContact O-N 3.23Å; N53-N55 PolarHBondContact O-N 2.97Å; N53-N55 VanDerWaalsContact O-N 3.14Å
56	N	31.8	Very low	38.9	Very low	130 Å²	130	104.8 Å²	104.8	70%	0.695	55%	0.546	S	S	*	.			trans	-109.7	83.1	177	-87.6	-21.3	0	0	0	110.8	N53 Y58	N53-N56 PolarHBondContact O-N 2.92Å; N53-N56 VanDerWaalsContact O-N 3.14Å; N56-Y58 PolarHBondContact O-N 3.12Å
57	S	29	Very low	37.7	Very low	109 Å²	109	103.6 Å²	103.6	76%	0.762	54%	0.54	S	S	*	.			trans	-70.3	71.7	170.6	173.3	0	0	0	0	112
58	Y	30.8	Very low	36.5	Very low	213 Å²	213	106 Å²	106	84%	0.835	55%	0.554	S	S	*	*			trans	-143.8	103.9	154.6	-84.9	-70.5	0	0	0	110.7	N56	N56-Y58 PolarHBondContact O-N 3.12Å
59	N	26.7	Very low	35.7	Very low	134 Å²	134	110.3 Å²	110.3	72%	0.717	57%	0.573	S	S	*	*			trans	7.8	122	146.7	-46	-25.4	0	0	0	116.5
60	N	30.1	Very low	34.9	Very low	136 Å²	136	116.4 Å²	116.4	73%	0.727	60%	0.595	S	S	*	*				-174.1	120.8	99.9	-79.6	-19.2	0	0	0	110.2	L62	N60-L62 PolarHBondContact O-N 3.09Å; N60-L62 VanDerWaalsContact O-N 3.12Å
61	D	27.6	Very low	34.5	Very low	161 Å²	161	115 Å²	115	86%	0.861	60%	0.595	S	S	*	*			trans	50.2	43.6	138.3	-48.8	-23.3	0	0	0	119.9
62	L	34.5	Very low	33.8	Very low	101 Å²	101	116.9 Å²	116.9	53%	0.529	61%	0.606	S	S	.	*			trans	-104.3	109.5	152.5	-94.4	158.7	0	0	0	109.3	N60 M64	N60-L62 PolarHBondContact O-N 3.09Å; N60-L62 VanDerWaalsContact O-N 3.12Å; L62-M64 PolarHBondContact O-N 3.1Å
63	D	32.4	Very low	33.4	Very low	79 Å²	79	119.2 Å²	119.2	42%	0.422	62%	0.617	S	S	.	*			trans	-57.9	101.6	-169.9	-179.6	16.6	0	0	0	112	N65 N66 I67	D63-N65 PolarHBondContact O-N 3.02Å; D63-N65 VanDerWaalsContact O-N 3.08Å; D63-N65 PolarHBondContact OD1-N 3.05Å; D63-N65 PolarHBondContact OD1-ND2 3.42Å; D63-N65 VanDerWaalsContact OD1-ND2 3.14Å; D63-N66 HydrophobicContact CB-CB 4.32Å; D63-N66 PolarHBondContact O-N 3.23Å; D63-N66 PolarHBondContact OD2-ND2 3.12Å; D63-I67 PolarHBondContact O-N 2.9Å
64	M	34.6	Very low	33.1	Very low	126 Å²	126	121.1 Å²	121.1	62%	0.621	62%	0.622	S	S	*	*	H	α-helix	trans	-58.1	-25.4	-175.4	-80.5	-73.1	-160.7	0	0	113.2	L62 Q68	L62-M64 PolarHBondContact O-N 3.1Å; M64-Q68 PolarHBondContact O-N 3.15Å
65	N	33	Very low	32.7	Very low	106 Å²	106	124.3 Å²	124.3	57%	0.567	63%	0.626	S	S	*	*	H	α-helix	trans	-71.1	-44.7	177.2	-55.7	-62.8	0	0	0	111.1	D63 I67 Q68 E69	D63-N65 PolarHBondContact O-N 3.02Å; D63-N65 VanDerWaalsContact O-N 3.08Å; D63-N65 PolarHBondContact OD1-N 3.05Å; D63-N65 PolarHBondContact OD1-ND2 3.42Å; D63-N65 VanDerWaalsContact OD1-ND2 3.14Å; N65-I67 VanDerWaalsContact C-N 3.32Å; N65-I67 PolarHBondContact O-N 2.95Å; N65-Q68 PolarHBondContact O-N 3.24Å; N65-E69 PolarHBondContact O-N 2.98Å
66	N	35.4	Very low	32.4	Very low	94 Å²	94	122.2 Å²	122.2	50%	0.503	62%	0.615	S	S	.	*	H	α-helix	trans	-62.1	-37.4	179.2	-102.7	-67.9	0	0	0	112.4	D63 K70	D63-N66 HydrophobicContact CB-CB 4.32Å; D63-N66 PolarHBondContact O-N 3.23Å; D63-N66 PolarHBondContact OD2-ND2 3.12Å; N66-K70 WeakPolarHBondContact O-CB 3.43Å; N66-K70 PolarHBondContact O-N 2.89Å
67	I	34.6	Very low	32.3	Very low	62 Å²	62	120.4 Å²	120.4	32%	0.318	61%	0.605	S	S	.	*	H	α-helix	trans	-72.4	-39	178.5	-58.4	177.1	0	0	0	111	Y50 D63 N65 L71	Y50-I67 VanDerWaalsContact OH-CG2 3.26Å; Y50-I67 WeakPolarHBondContact OH-CG2 3.33Å; D63-I67 PolarHBondContact O-N 2.9Å; N65-I67 VanDerWaalsContact C-N 3.32Å; N65-I67 PolarHBondContact O-N 2.95Å; I67-L71 HydrophobicContact CG2-CD1 4.01Å; I67-L71 WeakPolarHBondContact O-CB 3.34Å; I67-L71 WeakPolarHBondContact O-CG 3.28Å; I67-L71 PolarHBondContact O-N 3.39Å; I67-L71 VanDerWaalsContact O-N 3.11Å
68	Q	32.9	Very low	32.5	Very low	116 Å²	116	119.9 Å²	119.9	54%	0.542	60%	0.599	S	S	.	*	H	α-helix	trans	-66.4	-44.4	173.2	-72.8	-168.7	-96.6	0	0	112	M64 N65 L71 I72	M64-Q68 PolarHBondContact O-N 3.15Å; N65-Q68 PolarHBondContact O-N 3.24Å; Q68-L71 PolarHBondContact O-N 2.6Å; Q68-I72 HydrophobicContact CB-CD1 4.38Å; Q68-I72 VanDerWaalsContact O-CB 3.31Å; Q68-I72 WeakPolarHBondContact O-CB 3.28Å; Q68-I72 WeakPolarHBondContact O-CD1 3.34Å; Q68-I72 WeakPolarHBondContact O-CG1 3.44Å; Q68-I72 PolarHBondContact O-N 2.87Å
69	E	33.4	Very low	32.4	Very low	114 Å²	114	115.7 Å²	115.7	53%	0.533	59%	0.59	S	S	.	*	H	α-helix	trans	-63.4	-43.4	177.6	-75.3	-168.9	137.1	0	0	112.1	N65 L71 I72 I73	N65-E69 PolarHBondContact O-N 2.98Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.26Å; E69-I72 PolarHBondContact O-N 3.47Å; E69-I73 HydrophobicContact CB-CD1 3.96Å; E69-I73 HydrophobicContact CG-CD1 4.47Å; E69-I73 VanDerWaalsContact O-CB 3.29Å; E69-I73 WeakPolarHBondContact O-CB 3.41Å; E69-I73 WeakPolarHBondContact O-CG1 3.37Å; E69-I73 PolarHBondContact O-N 3.42Å
70	K	34.4	Very low	32.7	Very low	167 Å²	167	114.6 Å²	114.6	73%	0.726	58%	0.582	S	S	*	*	H	α-helix	trans	-63.1	-34.7	174.9	-113.9	174.1	177.9	173.1	0	113.7	N66	N66-K70 WeakPolarHBondContact O-CB 3.43Å; N66-K70 PolarHBondContact O-N 2.89Å
71	L	36.2	Very low	33	Very low	80 Å²	80	110.9 Å²	110.9	42%	0.419	56%	0.562	S	S	.	*	H	α-helix	trans	-75	-25.6	176.2	-78.6	167.1	0	0	0	113.2	Y50 I67 Q68 E69	Y50-L71 WeakPolarHBondContact OH-CD1 3.45Å; I67-L71 HydrophobicContact CG2-CD1 4.01Å; I67-L71 WeakPolarHBondContact O-CB 3.34Å; I67-L71 WeakPolarHBondContact O-CG 3.28Å; I67-L71 PolarHBondContact O-N 3.39Å; I67-L71 VanDerWaalsContact O-N 3.11Å; Q68-L71 PolarHBondContact O-N 2.6Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.26Å
72	I	32.8	Very low	33.3	Very low	121 Å²	121	108.9 Å²	108.9	62%	0.621	55%	0.55	S	S	*	.	H	α-helix	trans	-91.6	-30.7	-176.8	-70.1	167.3	0	0	0	112.4	Q68 E69	Q68-I72 HydrophobicContact CB-CD1 4.38Å; Q68-I72 VanDerWaalsContact O-CB 3.31Å; Q68-I72 WeakPolarHBondContact O-CB 3.28Å; Q68-I72 WeakPolarHBondContact O-CD1 3.34Å; Q68-I72 WeakPolarHBondContact O-CG1 3.44Å; Q68-I72 PolarHBondContact O-N 2.87Å; E69-I72 PolarHBondContact O-N 3.47Å
73	I	33.3	Very low	33.3	Very low	123 Å²	123	108.3 Å²	108.3	63%	0.631	55%	0.548	S	S	*	.	H	α-helix	trans	-87.1	-32.1	-166.1	-69.9	171	0	0	0	114.6	E69	E69-I73 HydrophobicContact CB-CD1 3.96Å; E69-I73 HydrophobicContact CG-CD1 4.47Å; E69-I73 VanDerWaalsContact O-CB 3.29Å; E69-I73 WeakPolarHBondContact O-CB 3.41Å; E69-I73 WeakPolarHBondContact O-CG1 3.37Å; E69-I73 PolarHBondContact O-N 3.42Å
74	E	33.6	Very low	33.6	Very low	160 Å²	160	107.7 Å²	107.7	75%	0.748	55%	0.549	S	S	*	.	S	Bend	trans	-105.9	-25.7	-167.9	-76.9	-161.3	141.7	0	0	118.4
75	H	31.1	Very low	33.8	Very low	166 Å²	166	104 Å²	104	77%	0.769	53%	0.529	S	S	*	.	S	Bend	trans	-156.3	-7.3	-174.7	-112.6	-53.7	0	0	0	121.3
76	L	32.4	Very low	34.2	Very low	69 Å²	69	102.6 Å²	102.6	36%	0.361	52%	0.524	S	S	.	.			trans	-132.9	96.1	-168	-66.9	95.1	0	0	0	113.5	P78 L81	L76-P78 VanDerWaalsContact O-CD 3.25Å; L76-P78 WeakPolarHBondContact O-CD 3.25Å; L76-L81 HydrophobicContact CB-CD1 4.36Å; L76-L81 HydrophobicContact CD2-CD1 3.81Å; L76-L81 HydrophobicContact CD2-CD2 3.51Å; L76-L81 HydrophobicContact CD2-CG 4.16Å; L76-L81 HydrophobicContact CG-CD1 3.8Å; L76-L81 HydrophobicContact CG-CD2 4.33Å
77	D	28.8	Very low	34.4	Very low	91 Å²	91	104.5 Å²	104.5	49%	0.487	54%	0.535	S	S	.	.			trans	-63.7	114.4	144.6	174.7	2.7	0	0	0	107	L79 M80	D77-L79 PolarHBondContact O-N 2.84Å; D77-L79 PolarHBondContact OD1-N 3Å; D77-L79 VanDerWaalsContact OD1-N 3.16Å; D77-M80 HydrophobicContact CB-CB 4.11Å; D77-M80 HydrophobicContact CB-CG 3.91Å; D77-M80 WeakPolarHBondContact O-CB 3.41Å; D77-M80 PolarHBondContact O-N 3.35Å; D77-M80 WeakPolarHBondContact OD2-CG 3.18Å
78	P	33.9	Very low	34.9	Very low	98 Å²	98	106.1 Å²	106.1	64%	0.636	54%	0.537	S	S	*	.	H	α-helix	trans	-60.5	-23.7	-173.6	-23.9	35.2	0	0	0	113	L76	L76-P78 VanDerWaalsContact O-CD 3.25Å; L76-P78 WeakPolarHBondContact O-CD 3.25Å
79	L	29.6	Very low	35.6	Very low	126 Å²	126	104.2 Å²	104.2	66%	0.66	54%	0.535	S	S	*	.	H	α-helix	trans	-81.1	-19.5	177.8	-61	176.1	0	0	0	112.8	D77 N83	D77-L79 PolarHBondContact O-N 2.84Å; D77-L79 PolarHBondContact OD1-N 3Å; D77-L79 VanDerWaalsContact OD1-N 3.16Å; L79-N83 PolarHBondContact O-ND2 3.24Å
80	M	32	Very low	36.5	Very low	111 Å²	111	102.6 Å²	102.6	55%	0.547	53%	0.526	S	S	.	.	H	α-helix	trans	-76.5	-38.1	175	-78.9	-93.1	64.2	0	0	112.5	D77 N83 S84	D77-M80 HydrophobicContact CB-CB 4.11Å; D77-M80 HydrophobicContact CB-CG 3.91Å; D77-M80 WeakPolarHBondContact O-CB 3.41Å; D77-M80 PolarHBondContact O-N 3.35Å; D77-M80 WeakPolarHBondContact OD2-CG 3.18Å; M80-N83 WeakPolarHBondContact O-CB 3.5Å; M80-N83 PolarHBondContact O-N 3.33Å; M80-S84 PolarHBondContact O-N 2.9Å; M80-S84 VanDerWaalsContact O-N 3.15Å
81	L	37.1	Very low	37.4	Very low	58 Å²	58	95.8 Å²	95.8	30%	0.304	50%	0.496	S	S	.	.	H	α-helix	trans	-74.1	-34.6	-173.4	-103	83.7	0	0	0	114.5	L76 N83 S84 Y85	L76-L81 HydrophobicContact CB-CD1 4.36Å; L76-L81 HydrophobicContact CD2-CD1 3.81Å; L76-L81 HydrophobicContact CD2-CD2 3.51Å; L76-L81 HydrophobicContact CD2-CG 4.16Å; L76-L81 HydrophobicContact CG-CD1 3.8Å; L76-L81 HydrophobicContact CG-CD2 4.33Å; L81-N83 PolarHBondContact O-N 3.15Å; L81-S84 WeakPolarHBondContact CA-OG 3.32Å; L81-S84 PolarHBondContact O-N 2.94Å; L81-S84 VanDerWaalsContact O-N 3.13Å; L81-S84 PolarHBondContact O-OG 3.08Å; L81-Y85 PolarHBondContact O-N 3.4Å
82	I	33.5	Very low	38.1	Very low	118 Å²	118	94 Å²	94	61%	0.605	49%	0.49	S	S	*	.	H	α-helix	trans	-57.5	-41.5	172.8	-64.3	174.8	0	0	0	109.5	Y85 T86	I82-Y85 PolarHBondContact O-N 3.14Å; I82-T86 WeakPolarHBondContact O-CG2 3.37Å; I82-T86 PolarHBondContact O-N 3.5Å
83	N	34.2	Very low	38.9	Very low	90 Å²	90	91.1 Å²	91.1	48%	0.481	48%	0.481	S	S	.	.	H	α-helix	trans	-64.3	-40.6	176.2	-73.8	-52.4	0	0	0	112.7	L79 M80 L81 Y85 T86	L79-N83 PolarHBondContact O-ND2 3.24Å; M80-N83 WeakPolarHBondContact O-CB 3.5Å; M80-N83 PolarHBondContact O-N 3.33Å; L81-N83 PolarHBondContact O-N 3.15Å; N83-Y85 VanDerWaalsContact C-N 3.26Å; N83-Y85 PolarHBondContact O-N 3.35Å; N83-T86 WeakPolarHBondContact O-CB 3.48Å; N83-T86 PolarHBondContact O-N 2.68Å; N83-T86 PolarHBondContact O-OG1 3.43Å
84	S	37.9	Very low	39.8	Very low	66 Å²	66	87 Å²	87	46%	0.462	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-25.4	176.8	57.3	0	0	0	0	114.7	M80 L81	M80-S84 PolarHBondContact O-N 2.9Å; M80-S84 VanDerWaalsContact O-N 3.15Å; L81-S84 WeakPolarHBondContact CA-OG 3.32Å; L81-S84 PolarHBondContact O-N 2.94Å; L81-S84 VanDerWaalsContact O-N 3.13Å; L81-S84 PolarHBondContact O-OG 3.08Å
85	Y	39.8	Very low	40.7	Very low	47 Å²	47	82.1 Å²	82.1	18%	0.184	44%	0.438	C	S	.	.	H	α-helix	trans	-86.4	-7.1	172.9	-83.3	-83.3	0	0	0	113.8	N36 F40 L81 I82 N83 D87 Y88 W91	N36-Y85 PolarHBondContact O-OH 2.9Å; N36-Y85 VanDerWaalsContact O-OH 3.08Å; F40-Y85 PolarHBondContact N-OH 3.5Å; L81-Y85 PolarHBondContact O-N 3.4Å; I82-Y85 PolarHBondContact O-N 3.14Å; N83-Y85 VanDerWaalsContact C-N 3.26Å; N83-Y85 PolarHBondContact O-N 3.35Å; Y85-D87 VanDerWaalsContact C-N 3.27Å; Y85-D87 PolarHBondContact O-N 2.92Å; Y85-Y88 CarbonylContact O-C 3.52Å; Y85-Y88 PolarHBondContact O-N 3.17Å; Y85-W91 HydrophobicContact CD1-CB 4Å; Y85-W91 HydrophobicContact CE1-CB 4.26Å
86	T	40.7	Very low	41.7	Very low	78 Å²	78	79.8 Å²	79.8	48%	0.479	43%	0.429	S	S	.	.	H	α-helix	trans	-68.5	-23.8	175.9	64.7	0	0	0	0	113.6	I82 N83 Y88	I82-T86 WeakPolarHBondContact O-CG2 3.37Å; I82-T86 PolarHBondContact O-N 3.5Å; N83-T86 WeakPolarHBondContact O-CB 3.48Å; N83-T86 PolarHBondContact O-N 2.68Å; N83-T86 PolarHBondContact O-OG1 3.43Å; T86-Y88 PolarHBondContact O-N 2.71Å
87	D	39.4	Very low	42.4	Very low	134 Å²	134	79.8 Å²	79.8	72%	0.717	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.3	174.1	-77.5	-37.9	0	0	0	112.9	Y85 P89	Y85-D87 VanDerWaalsContact C-N 3.27Å; Y85-D87 PolarHBondContact O-N 2.92Å; D87-P89 WeakPolarHBondContact O-CD 3.4Å
88	Y	45.5	Very low	43.1	Very low	95 Å²	95	76.5 Å²	76.5	37%	0.373	42%	0.42	S	S	.	.			trans	-122.5	80	174.3	-70.9	-85.2	0	0	0	111.6	Y85 T86 F90 W91 S92	Y85-Y88 CarbonylContact O-C 3.52Å; Y85-Y88 PolarHBondContact O-N 3.17Å; T86-Y88 PolarHBondContact O-N 2.71Å; Y88-F90 PolarHBondContact O-N 2.93Å; Y88-W91 PolarHBondContact O-N 3.18Å; Y88-S92 PolarHBondContact O-N 3.38Å
89	P	49.1	Very low	43.4	Very low	76 Å²	76	74 Å²	74	49%	0.494	40%	0.403	S	S	.	.	H	α-helix	trans	-57.3	-20.8	-175.5	16.8	-29.2	0	0	0	114.7	D87 S93	D87-P89 WeakPolarHBondContact O-CD 3.4Å; P89-S93 WeakPolarHBondContact O-CB 3.35Å; P89-S93 PolarHBondContact O-N 3Å
90	F	52.2	Low	44	Very low	80 Å²	80	73.1 Å²	73.1	35%	0.351	40%	0.399	S	S	.	.	H	α-helix	trans	-66	-52.8	172.9	175.8	-100.6	0	0	0	112.9	Q19 Y88 S93 M94	Q19-F90 HydrophobicContact CB-CZ 4.5Å; Q19-F90 HydrophobicContact CG-CZ 4.3Å; Y88-F90 PolarHBondContact O-N 2.93Å; F90-S93 PolarHBondContact O-N 3.27Å; F90-M94 HydrophobicContact CE1-CE 3.77Å; F90-M94 HydrophobicContact CZ-CE 3.92Å; F90-M94 HydrophobicContact CZ-SD 4.13Å; F90-M94 PolarHBondContact O-N 3.49Å
91	W	53	Low	44.4	Very low	25 Å²	25	72.5 Å²	72.5	10%	0.095	40%	0.395	C	S	.	.	H	α-helix	trans	-67.6	-40.2	-178.2	-63.6	120.4	0	0	0	111.4	F37 F40 Y85 Y88 M94 L95	F37-W91 AromaticContact CD2-CH2 3.37Å; F37-W91 HydrophobicContact CD2-CH2 3.37Å; F37-W91 HydrophobicContact CD2-CZ2 4.03Å; F37-W91 AromaticContact CD2-CZ3 3.69Å; F37-W91 HydrophobicContact CD2-CZ3 3.69Å; F37-W91 AromaticContact CE2-CH2 3.74Å; F37-W91 HydrophobicContact CE2-CH2 3.74Å; F37-W91 AromaticContact CE2-CZ3 3.91Å; F37-W91 HydrophobicContact CE2-CZ3 3.91Å; F37-W91 HydrophobicContact CG-CH2 4.44Å; F40-W91 HydrophobicContact CD1-CE3 4.09Å; F40-W91 HydrophobicContact CD1-CZ3 4.17Å; F40-W91 HydrophobicContact CD2-CE3 4.4Å; F40-W91 HydrophobicContact CE1-CE3 4.23Å; F40-W91 HydrophobicContact CE1-CZ3 4.27Å; F40-W91 HydrophobicContact CG-CE3 4.18Å; F40-W91 HydrophobicContact CZ-CE3 4.45Å; Y85-W91 HydrophobicContact CD1-CB 4Å; Y85-W91 HydrophobicContact CE1-CB 4.26Å; Y88-W91 PolarHBondContact O-N 3.18Å; W91-M94 HydrophobicContact CE3-CE 3.63Å; W91-M94 HydrophobicContact CH2-CE 4.31Å; W91-M94 HydrophobicContact CZ3-CE 3.29Å; W91-M94 PolarHBondContact O-N 3.46Å; W91-L95 PolarHBondContact O-N 2.95Å
92	S	49.3	Very low	44.4	Very low	41 Å²	41	71 Å²	71	29%	0.287	39%	0.391	S	S	.	.	H	α-helix	trans	-58.3	-47.3	171.4	178.7	0	0	0	0	111.3	Y88 M94 L95 M96	Y88-S92 PolarHBondContact O-N 3.38Å; S92-M94 VanDerWaalsContact C-N 3.35Å; S92-M94 PolarHBondContact O-N 3.42Å; S92-L95 PolarHBondContact O-N 3.19Å; S92-M96 VanDerWaalsContact O-CG 3.25Å; S92-M96 WeakPolarHBondContact O-CG 3.28Å; S92-M96 PolarHBondContact O-N 3.05Å
93	S	50.1	Low	44.6	Very low	62 Å²	62	69.2 Å²	69.2	43%	0.434	39%	0.385	S	S	.	.	H	α-helix	trans	-64.6	-35.2	176.3	-169.1	0	0	0	0	113.2	P89 F90 S97	P89-S93 WeakPolarHBondContact O-CB 3.35Å; P89-S93 PolarHBondContact O-N 3Å; F90-S93 PolarHBondContact O-N 3.27Å; S93-S97 WeakPolarHBondContact O-CB 3.22Å; S93-S97 PolarHBondContact O-N 3.24Å; S93-S97 PolarHBondContact O-OG 2.97Å; S93-S97 VanDerWaalsContact O-OG 3.11Å
94	M	53.1	Low	45	Very low	37 Å²	37	69.3 Å²	69.3	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-72.3	-36.8	178.9	-167.7	147.3	68.2	0	0	111.9	M16 F40 F90 W91 S92 S97 A98	M16-M94 HydrophobicContact CG-CE 3.8Å; M16-M94 HydrophobicContact CG-SD 4Å; M16-M94 HydrophobicContact SD-CE 4.08Å; F40-M94 HydrophobicContact CE1-CE 4.26Å; F40-M94 HydrophobicContact CZ-CE 4.28Å; F40-M94 HydrophobicContact CZ-CG 4.32Å; F90-M94 HydrophobicContact CE1-CE 3.77Å; F90-M94 HydrophobicContact CZ-CE 3.92Å; F90-M94 HydrophobicContact CZ-SD 4.13Å; F90-M94 PolarHBondContact O-N 3.49Å; W91-M94 HydrophobicContact CE3-CE 3.63Å; W91-M94 HydrophobicContact CH2-CE 4.31Å; W91-M94 HydrophobicContact CZ3-CE 3.29Å; W91-M94 PolarHBondContact O-N 3.46Å; S92-M94 VanDerWaalsContact C-N 3.35Å; S92-M94 PolarHBondContact O-N 3.42Å; M94-S97 PolarHBondContact O-N 2.93Å; M94-A98 WeakPolarHBondContact O-CB 3.49Å; M94-A98 PolarHBondContact O-N 3.46Å
95	L	52.3	Low	45.2	Very low	57 Å²	57	70.8 Å²	70.8	30%	0.298	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-49.4	170.6	-162.4	79.3	0	0	0	110.8	F40 W91 S92 S97 A98 V99	F40-L95 HydrophobicContact CD2-CD1 4.23Å; F40-L95 HydrophobicContact CE2-CB 4.11Å; F40-L95 HydrophobicContact CE2-CD1 3.77Å; W91-L95 PolarHBondContact O-N 2.95Å; S92-L95 PolarHBondContact O-N 3.19Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 3Å; L95-A98 PolarHBondContact O-N 3.44Å; L95-V99 WeakPolarHBondContact O-CG2 3.29Å; L95-V99 PolarHBondContact O-N 2.94Å
96	M	51	Low	45.2	Very low	117 Å²	117	72.9 Å²	72.9	58%	0.576	41%	0.413	S	S	*	.	H	α-helix	trans	-66	-34.1	-179.3	-64	-64.7	-81.6	0	0	112.7	S92 N100	S92-M96 VanDerWaalsContact O-CG 3.25Å; S92-M96 WeakPolarHBondContact O-CG 3.28Å; S92-M96 PolarHBondContact O-N 3.05Å; M96-N100 PolarHBondContact O-N 3.28Å; M96-N100 VanDerWaalsContact O-N 3.11Å
97	S	47.7	Very low	45	Very low	68 Å²	68	74.5 Å²	74.5	48%	0.476	42%	0.423	S	S	.	.	H	α-helix	trans	-66.9	-43.1	172.3	-71.4	0	0	0	0	112.3	S93 M94 L95 N100 E101	S93-S97 WeakPolarHBondContact O-CB 3.22Å; S93-S97 PolarHBondContact O-N 3.24Å; S93-S97 PolarHBondContact O-OG 2.97Å; S93-S97 VanDerWaalsContact O-OG 3.11Å; M94-S97 PolarHBondContact O-N 2.93Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 3Å; S97-N100 PolarHBondContact O-N 3.45Å; S97-E101 PolarHBondContact O-N 2.81Å
98	A	42.9	Very low	44.7	Very low	23 Å²	23	73.6 Å²	73.6	19%	0.19	42%	0.423	C	S	.	.	H	α-helix	trans	-63.1	-42	177	0	0	0	0	0	111.9	M94 L95 N100 E101 A102	M94-A98 WeakPolarHBondContact O-CB 3.49Å; M94-A98 PolarHBondContact O-N 3.46Å; L95-A98 PolarHBondContact O-N 3.44Å; A98-N100 PolarHBondContact O-N 2.96Å; A98-E101 PolarHBondContact O-N 3.04Å; A98-A102 WeakPolarHBondContact O-CB 3.37Å; A98-A102 PolarHBondContact O-N 2.78Å
99	V	42.1	Very low	44.1	Very low	44 Å²	44	75 Å²	75	27%	0.267	44%	0.441	S	S	.	.	H	α-helix	trans	-60.3	-44.2	174.4	171.8	0	0	0	0	111.3	W47 L95 E101 A102 V103	W47-V99 HydrophobicContact CH2-CG2 4.27Å; W47-V99 HydrophobicContact CZ2-CG1 4.48Å; W47-V99 HydrophobicContact CZ2-CG2 4.04Å; L95-V99 WeakPolarHBondContact O-CG2 3.29Å; L95-V99 PolarHBondContact O-N 2.94Å; V99-E101 PolarHBondContact O-N 3.03Å; V99-A102 PolarHBondContact O-N 3.48Å; V99-V103 HydrophobicContact CG1-CG2 4.46Å; V99-V103 WeakPolarHBondContact O-CG2 3.4Å; V99-V103 PolarHBondContact O-N 2.99Å
100	N	40.5	Very low	43.4	Very low	109 Å²	109	76.6 Å²	76.6	58%	0.583	46%	0.455	S	S	*	.	H	α-helix	trans	-65.6	-35.1	177.4	-79.1	-10.1	0	0	0	113.3	M96 S97 A98 T104	M96-N100 PolarHBondContact O-N 3.28Å; M96-N100 VanDerWaalsContact O-N 3.11Å; S97-N100 PolarHBondContact O-N 3.45Å; A98-N100 PolarHBondContact O-N 2.96Å; N100-T104 PolarHBondContact O-N 3.27Å; N100-T104 PolarHBondContact O-OG1 3.24Å
101	E	40	Very low	42.5	Very low	98 Å²	98	79.2 Å²	79.2	46%	0.458	48%	0.477	S	S	.	.	H	α-helix	trans	-73.7	-31.2	177.8	-156.1	166.4	-154.3	0	0	111.7	S97 A98 V99 T104 T105	S97-E101 PolarHBondContact O-N 2.81Å; A98-E101 PolarHBondContact O-N 3.04Å; V99-E101 PolarHBondContact O-N 3.03Å; E101-T104 PolarHBondContact O-OG1 3.13Å; E101-T105 WeakPolarHBondContact O-CG2 3.15Å; E101-T105 PolarHBondContact O-N 2.83Å; E101-T105 PolarHBondContact O-OG1 3.28Å
102	A	37.4	Very low	41.4	Very low	27 Å²	27	84.2 Å²	84.2	22%	0.223	51%	0.511	C	S	.	.	H	α-helix	trans	-70.1	-44.8	170.9	0	0	0	0	0	113	W47 A98 V99 T104 T105 T106	W47-A102 HydrophobicContact CH2-CB 3.79Å; W47-A102 HydrophobicContact CZ3-CB 4.02Å; A98-A102 WeakPolarHBondContact O-CB 3.37Å; A98-A102 PolarHBondContact O-N 2.78Å; V99-A102 PolarHBondContact O-N 3.48Å; A102-T104 VanDerWaalsContact C-N 3.31Å; A102-T104 PolarHBondContact O-N 3.21Å; A102-T105 WeakPolarHBondContact CA-OG1 3.47Å; A102-T105 PolarHBondContact O-N 3.25Å; A102-T105 PolarHBondContact O-OG1 2.81Å; A102-T106 PolarHBondContact O-N 2.82Å
103	V	39.3	Very low	40.7	Very low	80 Å²	80	88.4 Å²	88.4	49%	0.485	53%	0.534	S	S	.	.	H	α-helix	trans	-67.4	-31.2	-180	172	0	0	0	0	112.4	V99 T106 T107	V99-V103 HydrophobicContact CG1-CG2 4.46Å; V99-V103 WeakPolarHBondContact O-CG2 3.4Å; V99-V103 PolarHBondContact O-N 2.99Å; V103-T106 PolarHBondContact O-OG1 3.46Å; V103-T107 PolarHBondContact O-OG1 2.85Å
104	T	41.3	Very low	39.8	Very low	91 Å²	91	91.3 Å²	91.3	56%	0.558	55%	0.55	S	S	*	.	H	α-helix	trans	-81	-15.8	177.3	44.6	0	0	0	0	114	N100 E101 A102	N100-T104 PolarHBondContact O-N 3.27Å; N100-T104 PolarHBondContact O-OG1 3.24Å; E101-T104 PolarHBondContact O-OG1 3.13Å; A102-T104 VanDerWaalsContact C-N 3.31Å; A102-T104 PolarHBondContact O-N 3.21Å
105	T	42.4	Very low	38.8	Very low	98 Å²	98	95.5 Å²	95.5	60%	0.601	58%	0.578	S	S	*	*	H	α-helix	trans	-88.6	-17.9	176	39.4	0	0	0	0	113.5	E101 A102	E101-T105 WeakPolarHBondContact O-CG2 3.15Å; E101-T105 PolarHBondContact O-N 2.83Å; E101-T105 PolarHBondContact O-OG1 3.28Å; A102-T105 WeakPolarHBondContact CA-OG1 3.47Å; A102-T105 PolarHBondContact O-N 3.25Å; A102-T105 PolarHBondContact O-OG1 2.81Å
106	T	39.5	Very low	37.8	Very low	91 Å²	91	98.3 Å²	98.3	56%	0.558	60%	0.602	S	S	*	*	S	Bend	trans	-90.9	1.1	-179.4	53.8	0	0	0	0	115.7	A102 V103	A102-T106 PolarHBondContact O-N 2.82Å; V103-T106 PolarHBondContact O-OG1 3.46Å
107	T	37.6	Very low	36.8	Very low	112 Å²	112	96.1 Å²	96.1	69%	0.687	61%	0.609	S	S	*	*	S	Bend	trans	-113.5	8.9	-170.5	27.6	0	0	0	0	116.2	V103	V103-T107 PolarHBondContact O-OG1 2.85Å
108	T	33.3	Very low	36	Very low	114 Å²	114	100.7 Å²	100.7	70%	0.699	63%	0.627	S	S	*	*	S	Bend	trans	-114.5	11.7	-169.8	46.9	0	0	0	0	116.5
109	T	31.2	Very low	35.5	Very low	124 Å²	124	106.5 Å²	106.5	76%	0.761	65%	0.653	S	S	*	*			trans	-138.5	76.3	-179.8	53.9	0	0	0	0	115.1
110	S	34.4	Very low	35.2	Very low	111 Å²	111	109.8 Å²	109.8	78%	0.776	68%	0.675	S	S	*	*			trans	-163.8	118.2	151.8	36.8	0	0	0	0	114.6
111	T	33.4	Very low	34.8	Very low	135 Å²	135	112.1 Å²	112.1	83%	0.828	69%	0.687	S	S	*	*			trans	51	115.5	143.9	54.7	0	0	0	0	121.4
112	T	31.2	Very low	34.3	Very low	130 Å²	130	112.5 Å²	112.5	80%	0.798	70%	0.7	S	S	*	*			trans	-56.9	135.2	154.8	50	0	0	0	0	113.7
113	T	34.3	Very low	34	Very low	128 Å²	128	115.7 Å²	115.7	79%	0.785	72%	0.721	S	S	*	*				-178.2	122.4	123.6	29.5	0	0	0	0	113.4
114	T	31.2	Very low	33.5	Very low	123 Å²	123	117.6 Å²	117.6	76%	0.755	73%	0.733	S	S	*	*			trans	20.9	122.5	143.2	56.3	0	0	0	0	121.4
115	T	31	Very low	32.9	Very low	126 Å²	126	120.2 Å²	120.2	77%	0.773	74%	0.742	S	S	*	*				151.6	110.4	114.4	-63.8	0	0	0	0	114.1
116	S	31.3	Very low	32.3	Very low	115 Å²	115	122.6 Å²	122.6	80%	0.804	75%	0.75	S	S	*	*			trans	28	128.6	155.8	64	0	0	0	0	123
117	G	30.7	Very low	31.8	Very low	71 Å²	71	124 Å²	124	73%	0.732	76%	0.761	S	S	*	*			trans	177.5	56.8	165.1	0	0	0	0	0	119.9
118	I	31.1	Very low	31.5	Very low	164 Å²	164	123.2 Å²	123.2	84%	0.841	76%	0.759	S	S	*	*			trans	58.7	87.2	148.6	-54.5	173	0	0	0	116.8
119	I	32.8	Very low	31.3	Very low	145 Å²	145	123.4 Å²	123.4	74%	0.744	76%	0.761	S	S	*	*				38.2	125.7	86.9	-58.3	179.9	0	0	0	113.3
120	P	34.6	Very low	31.2	Very low	113 Å²	113	124.2 Å²	124.2	73%	0.734	76%	0.759	S	S	*	*			cis	-140.8	-175.3	47.7	22	4.6	0	0	0	114.2
121	L	32.9	Very low	30.8	Very low	159 Å²	159	126.3 Å²	126.3	83%	0.832	76%	0.76	S	S	*	*			cis	-171.2	151.5	-23.6	-96	164.5	0	0	0	103.6
122	S	29.6	Very low	30.5	Very low	105 Å²	105	124.4 Å²	124.4	73%	0.734	75%	0.752	S	S	*	*			cis	-152.1	-166.1	-2.8	58.8	0	0	0	0	106.4
123	S	30.6	Very low	30.3	Very low	94 Å²	94	124.1 Å²	124.1	66%	0.657	75%	0.753	S	S	*	*			cis	-151	131	10.9	51.7	0	0	0	0	111.4
124	T	29.1	Very low	30.1	Very low	120 Å²	120	124.3 Å²	124.3	74%	0.736	75%	0.753	S	S	*	*			trans	58.2	95.7	143.6	-40.4	0	0	0	0	117.7
125	I	28.1	Very low	30	Very low	146 Å²	146	128 Å²	128	75%	0.749	76%	0.758	S	S	*	*				63.2	120.8	79.5	-55.1	162.2	0	0	0	110.5
126	I	29.5	Very low	29.7	Very low	148 Å²	148	128.1 Å²	128.1	76%	0.759	76%	0.759	S	S	*	*				-148.9	140.8	64.9	-60.8	154.9	0	0	0	111.6
127	P	29.7	Very low	29.6	Very low	122 Å²	122	128.3 Å²	128.3	79%	0.792	76%	0.761	S	S	*	*			trans	-129.8	120.5	158.3	35.2	-20.2	0	0	0	114.5
128	S	31.2	Very low	29.3	Very low	94 Å²	94	132.9 Å²	132.9	66%	0.657	77%	0.768	S	S	*	*			trans	-160.7	146.2	168.6	-5.7	0	0	0	0	107.9
129	T	29.1	Very low	29	Very low	118 Å²	118	130.2 Å²	130.2	72%	0.724	76%	0.764	S	S	*	*			cis	-168.5	151.5	-7	7	0	0	0	0	108.5
130	I	29.6	Very low	28.6	Very low	141 Å²	141	128.7 Å²	128.7	72%	0.723	77%	0.766	S	S	*	*			trans	72.2	106.6	146.4	-62.6	163.3	0	0	0	119.8
131	I	26.5	Very low	28.2	Very low	155 Å²	155	130.7 Å²	130.7	80%	0.795	77%	0.769	S	S	*	*				45.6	113.4	129.4	-49.4	172.5	0	0	0	119.8
132	S	25.4	Very low	27.9	Very low	95 Å²	95	129 Å²	129	66%	0.664	77%	0.771	S	S	*	*				-174.8	130.2	125.5	-176.5	0	0	0	0	111.9
133	P	27.8	Very low	27.8	Very low	125 Å²	125	131.4 Å²	131.4	81%	0.812	77%	0.772	S	S	*	*			trans	-93.4	109.3	169.4	33.7	-27.2	0	0	0	110.9
134	V	29.5	Very low	27.9	Very low	132 Å²	132	132.2 Å²	132.2	80%	0.8	77%	0.767	S	S	*	*			trans	-113	131.6	175.5	-176	0	0	0	0	111.8
135	K	29.9	Very low	28.2	Very low	199 Å²	199	129.7 Å²	129.7	87%	0.865	75%	0.751	S	S	*	*			trans	-57.6	148.1	-169.6	-67.5	160.8	174.3	173.3	0	114.8
136	T	25.4	Very low	28.4	Very low	129 Å²	129	128.9 Å²	128.9	79%	0.791	75%	0.747	S	S	*	*			trans	-56.3	138.5	163.9	47.2	0	0	0	0	113.5
137	S	28	Very low	28.8	Very low	119 Å²	119	126.9 Å²	126.9	83%	0.832	74%	0.738	S	S	*	*			trans	-111.6	106.5	154.5	57.2	0	0	0	0	109.9
138	L	25.2	Very low	29.3	Very low	168 Å²	168	124.5 Å²	124.5	88%	0.88	72%	0.719	S	S	*	*			trans	-77.9	127.5	169	-81.3	146.2	0	0	0	109.7
139	S	24.1	Very low	29.4	Very low	108 Å²	108	124.4 Å²	124.4	76%	0.755	71%	0.711	S	S	*	*			trans	-154.6	147.9	160	57.8	0	0	0	0	111.4
140	S	24	Very low	29.6	Very low	112 Å²	112	124.7 Å²	124.7	78%	0.783	70%	0.703	S	S	*	*			trans	56.2	75.2	178	72.9	0	0	0	0	118
141	L	26.4	Very low	30.1	Very low	155 Å²	155	122.7 Å²	122.7	81%	0.812	69%	0.694	S	S	*	*				-141.7	126.6	128.6	-137.1	74.1	0	0	0	108.3	M143	L141-M143 PolarHBondContact O-N 3.31Å; L141-M143 VanDerWaalsContact O-N 3.16Å
142	S	26.1	Very low	30.6	Very low	123 Å²	123	118.8 Å²	118.8	86%	0.86	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-59	116.8	-177.1	-173.5	0	0	0	0	110.4
143	M	28.4	Very low	31	Very low	157 Å²	157	119.6 Å²	119.6	77%	0.773	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-85.2	116	174.5	-78.2	-76.2	131.4	0	0	108.9	L141 T145	L141-M143 PolarHBondContact O-N 3.31Å; L141-M143 VanDerWaalsContact O-N 3.16Å; M143-T145 PolarHBondContact O-N 3.32Å
144	M	33.4	Very low	31.3	Very low	111 Å²	111	117.9 Å²	117.9	55%	0.547	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-52.5	132	163.8	-171.6	162.6	165.6	0	0	108.5	D148	M144-D148 HydrophobicContact CE-CB 3.92Å; M144-D148 HydrophobicContact CG-CB 3.62Å
145	T	34	Very low	31.7	Very low	66 Å²	66	118.4 Å²	118.4	41%	0.405	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-71.7	161.6	-167.8	67.6	0	0	0	0	111.4	M143 D147 D148 L149	M143-T145 PolarHBondContact O-N 3.32Å; T145-D147 PolarHBondContact O-N 2.9Å; T145-D148 WeakPolarHBondContact CB-OD2 3.46Å; T145-D148 PolarHBondContact N-OD2 3.1Å; T145-D148 PolarHBondContact O-N 2.91Å; T145-D148 PolarHBondContact OG1-N 3.05Å; T145-D148 PolarHBondContact OG1-OD2 3.41Å; T145-L149 PolarHBondContact O-N 3.13Å; T145-L149 VanDerWaalsContact O-N 3.16Å
146	I	33.8	Very low	31.8	Very low	129 Å²	129	112.5 Å²	112.5	66%	0.662	63%	0.631	S	S	*	*	H	α-helix	trans	-60.5	-33.9	175.4	-66.6	173.6	0	0	0	110.1	L149 Q150	I146-L149 PolarHBondContact O-N 3.41Å; I146-Q150 WeakPolarHBondContact O-CG 3.34Å; I146-Q150 PolarHBondContact O-N 2.85Å
147	D	37.5	Very low	32.1	Very low	107 Å²	107	114.2 Å²	114.2	57%	0.572	64%	0.635	S	S	*	*	H	α-helix	trans	-69.9	-39.6	178.7	-53.4	-30.8	0	0	0	111.8	T145 L149 Q150 N151	T145-D147 PolarHBondContact O-N 2.9Å; D147-L149 VanDerWaalsContact C-N 3.33Å; D147-L149 PolarHBondContact O-N 3.49Å; D147-Q150 PolarHBondContact O-N 3.37Å; D147-N151 WeakPolarHBondContact O-CB 3.26Å; D147-N151 PolarHBondContact O-N 2.89Å
148	D	40	Very low	32.5	Very low	71 Å²	71	115 Å²	115	38%	0.38	62%	0.621	S	S	.	*	H	α-helix	trans	-59.6	-44.3	172.4	-62.3	-49.6	0	0	0	111.2	M144 T145 N151 D152	M144-D148 HydrophobicContact CE-CB 3.92Å; M144-D148 HydrophobicContact CG-CB 3.62Å; T145-D148 WeakPolarHBondContact CB-OD2 3.46Å; T145-D148 PolarHBondContact N-OD2 3.1Å; T145-D148 PolarHBondContact O-N 2.91Å; T145-D148 PolarHBondContact OG1-N 3.05Å; T145-D148 PolarHBondContact OG1-OD2 3.41Å; D148-N151 PolarHBondContact O-N 2.88Å; D148-D152 PolarHBondContact O-N 3.29Å
149	L	32.7	Very low	33.1	Very low	93 Å²	93	114 Å²	114	49%	0.487	61%	0.612	S	S	.	*	H	α-helix	trans	-64.4	-40.8	176.6	-92.6	164	0	0	0	112.3	T145 I146 D147 N151 D152 I153	T145-L149 PolarHBondContact O-N 3.13Å; T145-L149 VanDerWaalsContact O-N 3.16Å; I146-L149 PolarHBondContact O-N 3.41Å; D147-L149 VanDerWaalsContact C-N 3.33Å; D147-L149 PolarHBondContact O-N 3.49Å; L149-N151 VanDerWaalsContact C-N 3.35Å; L149-D152 PolarHBondContact O-N 3Å; L149-I153 WeakPolarHBondContact O-CB 3.41Å; L149-I153 WeakPolarHBondContact O-CD1 3.23Å; L149-I153 WeakPolarHBondContact O-CG1 3.28Å; L149-I153 PolarHBondContact O-N 2.93Å
150	Q	33.8	Very low	33.6	Very low	123 Å²	123	117.3 Å²	117.3	58%	0.575	62%	0.615	S	S	*	*	H	α-helix	trans	-65.4	-38	175.2	-76	-178.7	-28.5	0	0	112	I146 D147 D152 I153 S154	I146-Q150 WeakPolarHBondContact O-CG 3.34Å; I146-Q150 PolarHBondContact O-N 2.85Å; D147-Q150 PolarHBondContact O-N 3.37Å; Q150-D152 VanDerWaalsContact C-N 3.35Å; Q150-D152 PolarHBondContact O-N 3.03Å; Q150-I153 PolarHBondContact O-N 3.19Å; Q150-S154 PolarHBondContact O-N 3.31Å; Q150-S154 PolarHBondContact O-OG 2.87Å
151	N	40	Very low	34.1	Very low	99 Å²	99	115.7 Å²	115.7	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-69.2	-26.7	176.2	-102.7	-29	0	0	0	114.3	D147 D148 L149 S154 K155	D147-N151 WeakPolarHBondContact O-CB 3.26Å; D147-N151 PolarHBondContact O-N 2.89Å; D148-N151 PolarHBondContact O-N 2.88Å; L149-N151 VanDerWaalsContact C-N 3.35Å; N151-S154 PolarHBondContact O-OG 3.22Å; N151-S154 VanDerWaalsContact O-OG 3.11Å; N151-K155 WeakPolarHBondContact O-CD 3.38Å; N151-K155 WeakPolarHBondContact O-CE 3.25Å; N151-K155 WeakPolarHBondContact O-CG 3.34Å; N151-K155 PolarHBondContact O-NZ 3.32Å
152	D	37.1	Very low	34.8	Very low	74 Å²	74	113.7 Å²	113.7	40%	0.396	58%	0.583	S	S	.	*	H	α-helix	trans	-86.7	-29.3	173.5	-80.8	-11.2	0	0	0	112.5	D148 L149 Q150 K155 I156	D148-D152 PolarHBondContact O-N 3.29Å; L149-D152 PolarHBondContact O-N 3Å; Q150-D152 VanDerWaalsContact C-N 3.35Å; Q150-D152 PolarHBondContact O-N 3.03Å; D152-K155 PolarHBondContact O-N 3.37Å; D152-K155 IonicContact OD1-NZ 3.27Å; D152-K155 PolarHBondContact OD1-NZ 3.39Å; D152-I156 WeakPolarHBondContact O-CG1 3.41Å
153	I	33.9	Very low	35.1	Very low	111 Å²	111	114.3 Å²	114.3	57%	0.569	57%	0.57	S	S	*	*	H	α-helix	trans	-67.3	-39.9	172.1	-70.7	164.8	0	0	0	111.2	L149 Q150 K155 I156	L149-I153 WeakPolarHBondContact O-CB 3.41Å; L149-I153 WeakPolarHBondContact O-CD1 3.23Å; L149-I153 WeakPolarHBondContact O-CG1 3.28Å; L149-I153 PolarHBondContact O-N 2.93Å; Q150-I153 PolarHBondContact O-N 3.19Å; I153-K155 PolarHBondContact O-N 3.45Å; I153-I156 PolarHBondContact O-N 2.88Å
154	S	34.8	Very low	35.5	Very low	90 Å²	90	109.3 Å²	109.3	63%	0.629	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-18.6	179.6	65.2	0	0	0	0	114.4	Q150 N151	Q150-S154 PolarHBondContact O-N 3.31Å; Q150-S154 PolarHBondContact O-OG 2.87Å; N151-S154 PolarHBondContact O-OG 3.22Å; N151-S154 VanDerWaalsContact O-OG 3.11Å
155	K	36.7	Very low	35.7	Very low	142 Å²	142	109.7 Å²	109.7	62%	0.617	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.7	175.2	-63.1	166.4	-163.6	151.3	0	113.2	N151 D152 I153 N157	N151-K155 WeakPolarHBondContact O-CD 3.38Å; N151-K155 WeakPolarHBondContact O-CE 3.25Å; N151-K155 WeakPolarHBondContact O-CG 3.34Å; N151-K155 PolarHBondContact O-NZ 3.32Å; D152-K155 PolarHBondContact O-N 3.37Å; D152-K155 IonicContact OD1-NZ 3.27Å; D152-K155 PolarHBondContact OD1-NZ 3.39Å; I153-K155 PolarHBondContact O-N 3.45Å; K155-N157 PolarHBondContact O-N 3.33Å
156	I	32.9	Very low	36	Very low	76 Å²	76	108.9 Å²	108.9	39%	0.39	54%	0.542	S	S	.	.			trans	-90	81.4	-176.3	-63.5	171.9	0	0	0	108.7	D152 I153 Y158	D152-I156 WeakPolarHBondContact O-CG1 3.41Å; I153-I156 PolarHBondContact O-N 2.88Å; I156-Y158 VanDerWaalsContact C-N 3.32Å; I156-Y158 HydrophobicContact CG2-CD2 3.53Å; I156-Y158 HydrophobicContact CG2-CE2 4.09Å; I156-Y158 HydrophobicContact CG2-CG 4.49Å; I156-Y158 PolarHBondContact O-N 2.93Å
157	N	32.2	Very low	36.3	Very low	164 Å²	164	106.6 Å²	106.6	88%	0.877	53%	0.531	S	S	*	.			trans	-74.7	84.8	175.9	-156.5	7.4	0	0	0	110.1	K155	K155-N157 PolarHBondContact O-N 3.33Å
158	Y	35.5	Very low	36.3	Very low	137 Å²	137	107.5 Å²	107.5	54%	0.537	53%	0.529	S	S	.	.			trans	-113.8	132.4	166.7	-88.7	-104.1	0	0	0	108.4	Q28 I156 E160	Q28-Y158 PolarHBondContact NE2-OH 2.89Å; I156-Y158 VanDerWaalsContact C-N 3.32Å; I156-Y158 HydrophobicContact CG2-CD2 3.53Å; I156-Y158 HydrophobicContact CG2-CE2 4.09Å; I156-Y158 HydrophobicContact CG2-CG 4.49Å; I156-Y158 PolarHBondContact O-N 2.93Å; Y158-E160 PolarHBondContact O-N 2.86Å; Y158-E160 VanDerWaalsContact O-N 3.09Å
159	E	36.8	Very low	35.9	Very low	147 Å²	147	107.7 Å²	107.7	69%	0.687	54%	0.535	S	S	*	.			trans	-52.2	117	176.3	-68.4	-176.5	158.6	0	0	111.1	D161 F162	E159-D161 HydrophobicContact CB-CB 3.99Å; E159-D161 PolarHBondContact O-N 3.36Å; E159-F162 PolarHBondContact O-N 2.95Å
160	E	36.7	Very low	35.8	Very low	176 Å²	176	105.3 Å²	105.3	82%	0.822	53%	0.525	S	S	*	.	H	α-helix	trans	-51.2	-30	166.7	-64.9	-171.2	126.5	0	0	110.9	Y158 F162 F163 S164	Y158-E160 PolarHBondContact O-N 2.86Å; Y158-E160 VanDerWaalsContact O-N 3.09Å; E160-F162 VanDerWaalsContact C-N 3.29Å; E160-F162 PolarHBondContact O-N 3.47Å; E160-F163 PolarHBondContact O-N 2.88Å; E160-S164 WeakPolarHBondContact O-CB 3.43Å; E160-S164 PolarHBondContact O-N 3.3Å
161	D	34.2	Very low	35.8	Very low	79 Å²	79	103.5 Å²	103.5	42%	0.422	52%	0.519	S	S	.	.	H	α-helix	trans	-54.3	-34.6	175.6	-126.8	43.8	0	0	0	113.9	E159 K165	E159-D161 HydrophobicContact CB-CB 3.99Å; E159-D161 PolarHBondContact O-N 3.36Å; D161-K165 WeakPolarHBondContact O-CB 3.37Å; D161-K165 WeakPolarHBondContact O-CD 3.35Å; D161-K165 WeakPolarHBondContact O-CG 3.25Å; D161-K165 PolarHBondContact O-N 3.47Å; D161-K165 VanDerWaalsContact OD2-CE 3.26Å; D161-K165 WeakPolarHBondContact OD2-CE 3.47Å; D161-K165 IonicContact OD2-NZ 3.43Å; D161-K165 PolarHBondContact OD2-NZ 3.29Å
162	F	39.4	Very low	35.3	Very low	113 Å²	113	102.7 Å²	102.7	50%	0.496	51%	0.514	S	S	.	.	H	α-helix	trans	-68.4	-51.8	177.5	177.9	-97.6	0	0	0	111.7	E159 E160 L166	E159-F162 PolarHBondContact O-N 2.95Å; E160-F162 VanDerWaalsContact C-N 3.29Å; E160-F162 PolarHBondContact O-N 3.47Å; F162-L166 HydrophobicContact CE1-CD2 4.25Å; F162-L166 VanDerWaalsContact O-CB 3.29Å; F162-L166 WeakPolarHBondContact O-CB 3.44Å; F162-L166 PolarHBondContact O-N 3.42Å
163	F	34	Very low	35	Very low	135 Å²	135	108.5 Å²	108.5	59%	0.592	53%	0.53	S	S	*	.	H	α-helix	trans	-70.9	-34.5	179.5	-83.7	-74.7	0	0	0	111.8	E160 L166 L167	E160-F163 PolarHBondContact O-N 2.88Å; F163-L166 PolarHBondContact O-N 3Å; F163-L167 VanDerWaalsContact O-CB 3.31Å; F163-L167 WeakPolarHBondContact O-CB 3.41Å; F163-L167 PolarHBondContact O-N 2.94Å
164	S	36.1	Very low	34.9	Very low	52 Å²	52	108.1 Å²	108.1	36%	0.364	53%	0.529	S	S	.	.	H	α-helix	trans	-67.2	-42.6	175.6	-165.4	0	0	0	0	111.7	E160 L167 K168	E160-S164 WeakPolarHBondContact O-CB 3.43Å; E160-S164 PolarHBondContact O-N 3.3Å; S164-L167 PolarHBondContact O-N 2.94Å; S164-K168 WeakPolarHBondContact O-CB 3.43Å; S164-K168 VanDerWaalsContact O-CG 3.28Å; S164-K168 WeakPolarHBondContact O-CG 3.4Å; S164-K168 PolarHBondContact O-N 3.24Å
165	K	38.5	Very low	34.7	Very low	120 Å²	120	109.2 Å²	109.2	52%	0.522	52%	0.524	S	S	.	.	H	α-helix	trans	-64.6	-41.3	170.6	-77	165.5	174.4	156.2	0	112.1	D161 K168 C169	D161-K165 WeakPolarHBondContact O-CB 3.37Å; D161-K165 WeakPolarHBondContact O-CD 3.35Å; D161-K165 WeakPolarHBondContact O-CG 3.25Å; D161-K165 PolarHBondContact O-N 3.47Å; D161-K165 VanDerWaalsContact OD2-CE 3.26Å; D161-K165 WeakPolarHBondContact OD2-CE 3.47Å; D161-K165 IonicContact OD2-NZ 3.43Å; D161-K165 PolarHBondContact OD2-NZ 3.29Å; K165-K168 PolarHBondContact O-N 3.24Å; K165-C169 WeakPolarHBondContact O-CB 3.19Å; K165-C169 PolarHBondContact O-N 2.99Å; K165-C169 PolarHBondContact O-SG 3.07Å
166	L	39.7	Very low	34.6	Very low	49 Å²	49	107.7 Å²	107.7	26%	0.257	52%	0.523	S	S	.	.	H	α-helix	trans	-63.8	-42.3	178	-169.6	67.1	0	0	0	111.7	V34 L38 F162 F163 C169 T170	V34-L166 HydrophobicContact CG1-CD2 4.2Å; L38-L166 HydrophobicContact CD1-CD2 4.23Å; F162-L166 HydrophobicContact CE1-CD2 4.25Å; F162-L166 VanDerWaalsContact O-CB 3.29Å; F162-L166 WeakPolarHBondContact O-CB 3.44Å; F162-L166 PolarHBondContact O-N 3.42Å; F163-L166 PolarHBondContact O-N 3Å; L166-C169 PolarHBondContact O-N 3.29Å; L166-T170 PolarHBondContact O-N 2.96Å; L166-T170 VanDerWaalsContact O-N 3.13Å; L166-T170 PolarHBondContact O-OG1 2.77Å; L166-T170 VanDerWaalsContact O-OG1 3.1Å
167	L	39.1	Very low	34.8	Very low	81 Å²	81	108.3 Å²	108.3	42%	0.424	53%	0.534	S	S	.	.	H	α-helix	trans	-69.1	-39.2	177.1	-148.9	83.2	0	0	0	112.1	F163 S164 T170 L171	F163-L167 VanDerWaalsContact O-CB 3.31Å; F163-L167 WeakPolarHBondContact O-CB 3.41Å; F163-L167 PolarHBondContact O-N 2.94Å; S164-L167 PolarHBondContact O-N 2.94Å; L167-T170 WeakPolarHBondContact CA-OG1 3.37Å; L167-T170 PolarHBondContact O-N 2.85Å; L167-T170 PolarHBondContact O-OG1 2.74Å; L167-T170 VanDerWaalsContact O-OG1 3.05Å; L167-L171 HydrophobicContact CD2-CD1 4.44Å; L167-L171 HydrophobicContact CG-CD1 4.42Å; L167-L171 WeakPolarHBondContact O-CB 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 2.98Å
168	K	38	Very low	34.7	Very low	125 Å²	125	109 Å²	109	54%	0.543	53%	0.525	S	S	.	.	H	α-helix	trans	-64.4	-44	172.8	-75.9	175.4	180	179.8	0	111.3	S164 K165 T170 L171 I172	S164-K168 WeakPolarHBondContact O-CB 3.43Å; S164-K168 VanDerWaalsContact O-CG 3.28Å; S164-K168 WeakPolarHBondContact O-CG 3.4Å; S164-K168 PolarHBondContact O-N 3.24Å; K165-K168 PolarHBondContact O-N 3.24Å; K168-T170 VanDerWaalsContact C-N 3.28Å; K168-T170 PolarHBondContact O-N 3.06Å; K168-L171 PolarHBondContact O-N 3.23Å; K168-I172 HydrophobicContact CB-CD1 4.36Å; K168-I172 VanDerWaalsContact O-CB 3.29Å; K168-I172 WeakPolarHBondContact O-CB 3.41Å; K168-I172 WeakPolarHBondContact O-CD1 3.36Å; K168-I172 WeakPolarHBondContact O-CG1 3.3Å; K168-I172 PolarHBondContact O-N 3.23Å
169	C	31	Very low	34.5	Very low	75 Å²	75	106.2 Å²	106.2	51%	0.507	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-27.4	177.4	-74.1	0	0	0	0	113.8	K165 L166	K165-C169 WeakPolarHBondContact O-CB 3.19Å; K165-C169 PolarHBondContact O-N 2.99Å; K165-C169 PolarHBondContact O-SG 3.07Å; L166-C169 PolarHBondContact O-N 3.29Å
170	T	31.8	Very low	34.4	Very low	44 Å²	44	106 Å²	106	27%	0.27	53%	0.53	S	S	.	.	H	α-helix	trans	-83	-38.8	171.9	43.8	0	0	0	0	112.9	L38 L166 L167 K168 R173 N174	L38-T170 HydrophobicContact CD2-CG2 3.67Å; L166-T170 PolarHBondContact O-N 2.96Å; L166-T170 VanDerWaalsContact O-N 3.13Å; L166-T170 PolarHBondContact O-OG1 2.77Å; L166-T170 VanDerWaalsContact O-OG1 3.1Å; L167-T170 WeakPolarHBondContact CA-OG1 3.37Å; L167-T170 PolarHBondContact O-N 2.85Å; L167-T170 PolarHBondContact O-OG1 2.74Å; L167-T170 VanDerWaalsContact O-OG1 3.05Å; K168-T170 VanDerWaalsContact C-N 3.28Å; K168-T170 PolarHBondContact O-N 3.06Å; T170-R173 PolarHBondContact O-N 3.42Å; T170-N174 PolarHBondContact O-N 3.38Å
171	L	32.6	Very low	34.3	Very low	84 Å²	84	104.5 Å²	104.5	44%	0.44	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-47.9	173.4	-76.8	165.5	0	0	0	111.7	L167 K168 R173 N174 E175	L167-L171 HydrophobicContact CD2-CD1 4.44Å; L167-L171 HydrophobicContact CG-CD1 4.42Å; L167-L171 WeakPolarHBondContact O-CB 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 2.98Å; K168-L171 PolarHBondContact O-N 3.23Å; L171-R173 PolarHBondContact O-N 3.02Å; L171-N174 CarbonylContact O-C 3.34Å; L171-N174 WeakPolarHBondContact O-CA 3.33Å; L171-N174 PolarHBondContact O-N 2.94Å; L171-E175 WeakPolarHBondContact O-CG 3.49Å; L171-E175 PolarHBondContact O-N 3.42Å
172	I	31.1	Very low	34.2	Very low	83 Å²	83	107.7 Å²	107.7	43%	0.426	54%	0.538	S	S	.	.	H	α-helix	trans	-59.3	-34.8	178	-68.1	163.8	0	0	0	111.6	K168 N174 N176	K168-I172 HydrophobicContact CB-CD1 4.36Å; K168-I172 VanDerWaalsContact O-CB 3.29Å; K168-I172 WeakPolarHBondContact O-CB 3.41Å; K168-I172 WeakPolarHBondContact O-CD1 3.36Å; K168-I172 WeakPolarHBondContact O-CG1 3.3Å; K168-I172 PolarHBondContact O-N 3.23Å; I172-N174 VanDerWaalsContact C-N 3.34Å; I172-N176 VanDerWaalsContact O-CB 3.23Å; I172-N176 WeakPolarHBondContact O-CB 3.43Å; I172-N176 PolarHBondContact O-N 3.32Å; I172-N176 PolarHBondContact O-ND2 3.06Å
173	R	30.3	Very low	34	Very low	196 Å²	196	111.3 Å²	111.3	74%	0.74	56%	0.556	S	S	*	*	H	α-helix	trans	-68.6	-32.1	174.6	-108.4	-173	176.7	110.3	-1.3	113.1	T170 L171 S177	T170-R173 PolarHBondContact O-N 3.42Å; L171-R173 PolarHBondContact O-N 3.02Å; R173-S177 PolarHBondContact O-OG 2.86Å; R173-S177 VanDerWaalsContact O-OG 3.1Å
174	N	30.8	Very low	34.1	Very low	102 Å²	102	113.2 Å²	113.2	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-81.9	-40.2	178.2	-71	0.5	0	0	0	111.7	T170 L171 I172 S177	T170-N174 PolarHBondContact O-N 3.38Å; L171-N174 CarbonylContact O-C 3.34Å; L171-N174 WeakPolarHBondContact O-CA 3.33Å; L171-N174 PolarHBondContact O-N 2.94Å; I172-N174 VanDerWaalsContact C-N 3.34Å; N174-S177 WeakPolarHBondContact O-CB 3.45Å; N174-S177 PolarHBondContact O-N 3.25Å; N174-S177 VanDerWaalsContact O-N 3.15Å
175	E	31.8	Very low	33.9	Very low	114 Å²	114	119.3 Å²	119.3	53%	0.533	60%	0.595	S	S	.	*	H	α-helix	trans	-64.5	-43.3	175.9	-71.7	175.4	168.9	0	0	111.3	L171 S177 Y178 S179	L171-E175 WeakPolarHBondContact O-CG 3.49Å; L171-E175 PolarHBondContact O-N 3.42Å; E175-S177 PolarHBondContact O-N 3.25Å; E175-Y178 PolarHBondContact O-N 2.88Å; E175-S179 PolarHBondContact O-N 2.82Å; E175-S179 VanDerWaalsContact O-N 3.09Å; E175-S179 PolarHBondContact O-OG 2.82Å; E175-S179 VanDerWaalsContact O-OG 3.12Å
176	N	34.6	Very low	33.4	Very low	110 Å²	110	118.1 Å²	118.1	59%	0.588	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-7	174.8	-69.6	-7.9	0	0	0	114.1	I172	I172-N176 VanDerWaalsContact O-CB 3.23Å; I172-N176 WeakPolarHBondContact O-CB 3.43Å; I172-N176 PolarHBondContact O-N 3.32Å; I172-N176 PolarHBondContact O-ND2 3.06Å
177	S	35.8	Very low	33	Very low	88 Å²	88	123.5 Å²	123.5	62%	0.615	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-11.3	169.9	-59	0	0	0	0	113.3	R173 N174 E175	R173-S177 PolarHBondContact O-OG 2.86Å; R173-S177 VanDerWaalsContact O-OG 3.1Å; N174-S177 WeakPolarHBondContact O-CB 3.45Å; N174-S177 PolarHBondContact O-N 3.25Å; N174-S177 VanDerWaalsContact O-N 3.15Å; E175-S177 PolarHBondContact O-N 3.25Å
178	Y	31.4	Very low	32.7	Very low	178 Å²	178	125.1 Å²	125.1	70%	0.698	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-9.8	179.6	-93.1	-84.9	0	0	0	114.3	E175	E175-Y178 PolarHBondContact O-N 2.88Å
179	S	31.6	Very low	32.5	Very low	79 Å²	79	124 Å²	124	55%	0.552	66%	0.656	S	S	*	*	S	Bend	trans	-87.7	-5	-177.7	-58.4	0	0	0	0	115.9	E175	E175-S179 PolarHBondContact O-N 2.82Å; E175-S179 VanDerWaalsContact O-N 3.09Å; E175-S179 PolarHBondContact O-OG 2.82Å; E175-S179 VanDerWaalsContact O-OG 3.12Å
180	N	32.9	Very low	32.6	Very low	144 Å²	144	125.2 Å²	125.2	77%	0.77	67%	0.665	S	S	*	*	S	Bend	trans	-104.8	3.8	-173.7	-79.1	-7.1	0	0	0	115.7
181	E	35.3	Very low	32.7	Very low	143 Å²	143	128.6 Å²	128.6	67%	0.668	69%	0.691	S	S	*	*	S	Bend	trans	-104.3	-1.8	177.4	-71.4	-177.4	166	0	0	113.9
182	I	33.1	Very low	32.8	Very low	147 Å²	147	129.4 Å²	129.4	75%	0.754	70%	0.703	S	S	*	*	S	Bend	trans	-90.2	-8.9	-172	-68.5	178.7	0	0	0	114
183	E	33.8	Very low	32.8	Very low	188 Å²	188	130.2 Å²	130.2	88%	0.879	72%	0.716	S	S	*	*	S	Bend	trans	-109.3	4.7	-173.8	-85.4	-169	149.7	0	0	117.1
184	Q	36.7	Very low	32.9	Very low	176 Å²	176	125.7 Å²	125.7	82%	0.822	72%	0.715	S	S	*	*	S	Bend	trans	-112.4	-0.2	-174.8	-71.2	-136.7	23.5	0	0	118
185	L	31.3	Very low	32.9	Very low	180 Å²	180	126 Å²	126	94%	0.942	73%	0.725	S	S	*	*			trans	-119.7	73.2	173.3	-70.4	176.7	0	0	0	112
186	S	27.8	Very low	33	Very low	94 Å²	94	125.2 Å²	125.2	66%	0.657	73%	0.732	S	S	*	*			trans	-96.5	153.1	162	60.4	0	0	0	0	110.4
187	L	32.5	Very low	32.8	Very low	162 Å²	162	125.2 Å²	125.2	85%	0.848	74%	0.741	S	S	*	*			trans	75.1	88.1	167.6	-49.4	167	0	0	0	118.2
188	S	33.4	Very low	32.7	Very low	115 Å²	115	126.9 Å²	126.9	80%	0.804	75%	0.752	S	S	*	*				-177.8	115.4	125	32.7	0	0	0	0	115.3
189	S	33.2	Very low	32.6	Very low	103 Å²	103	123.9 Å²	123.9	72%	0.72	76%	0.757	S	S	*	*			trans	24.8	112.3	141.3	53.4	0	0	0	0	120.1
190	S	32.2	Very low	32.4	Very low	100 Å²	100	126.3 Å²	126.3	70%	0.699	77%	0.773	S	S	*	*				91.8	128.5	57.2	69.6	0	0	0	0	116.1
191	S	34	Very low	32.1	Very low	115 Å²	115	124.6 Å²	124.6	80%	0.804	77%	0.772	S	S	*	*			trans	63	146.1	164.9	46.9	0	0	0	0	118.6
192	S	34.4	Very low	31.9	Very low	100 Å²	100	124.7 Å²	124.7	70%	0.699	78%	0.783	S	S	*	*			cis	-168.9	148.8	-6.3	43.8	0	0	0	0	112.7
193	S	31.7	Very low	31.7	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	79%	0.785	S	S	*	*			trans	55.6	127.2	144.5	62.6	0	0	0	0	123.8
194	S	31.7	Very low	31.5	Very low	101 Å²	101	121.8 Å²	121.8	71%	0.706	78%	0.784	S	S	*	*				82.9	107.5	128.8	64.4	0	0	0	0	123.2
195	S	31.4	Very low	31	Very low	107 Å²	107	119 Å²	119	75%	0.748	79%	0.785	S	S	*	*				89.6	148.9	117.6	72.5	0	0	0	0	122.5
196	S	33	Very low	30.8	Very low	98 Å²	98	115.9 Å²	115.9	69%	0.685	78%	0.778	S	S	*	*			trans	86.2	93.3	158.4	-29.1	0	0	0	0	119
197	S	31.9	Very low	30.7	Very low	111 Å²	111	116.4 Å²	116.4	78%	0.776	78%	0.781	S	S	*	*				30.4	122.2	124.1	60.8	0	0	0	0	120.2
198	S	33.5	Very low	30.6	Very low	123 Å²	123	115.6 Å²	115.6	86%	0.86	78%	0.783	S	S	*	*				-173.4	148.1	105.3	46.7	0	0	0	0	112.5
199	S	29.2	Very low	30.1	Very low	115 Å²	115	119 Å²	119	80%	0.804	78%	0.779	S	S	*	*			trans	-82.4	139.5	175.9	51.6	0	0	0	0	112.5
200	C	27.7	Very low	29.9	Very low	129 Å²	129	122.9 Å²	122.9	87%	0.872	79%	0.788	S	S	*	*			trans	-161.5	136.7	134.4	53.5	0	0	0	0	111.9
201	S	27.2	Very low	29.6	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	79%	0.786	S	S	*	*			trans	-77	157.7	175.4	-37.2	0	0	0	0	111.6
202	T	30.6	Very low	29.3	Very low	144 Å²	144	126.7 Å²	126.7	88%	0.883	79%	0.793	S	S	*	*				-177.3	148.7	117	23.2	0	0	0	0	113
203	N	27.9	Very low	29	Very low	151 Å²	151	130.8 Å²	130.8	81%	0.807	80%	0.798	S	S	*	*			trans	-72.4	155.9	176.1	-53	-35.1	0	0	0	111.4
204	S	30.3	Very low	28.9	Very low	123 Å²	123	135.6 Å²	135.6	86%	0.86	81%	0.806	S	S	*	*				176.3	151.5	106.6	-75.5	0	0	0	0	113.6
205	S	26.1	Very low	28.6	Very low	119 Å²	119	134.9 Å²	134.9	83%	0.832	81%	0.806	S	S	*	*			trans	-84.4	146.6	-170	-40.7	0	0	0	0	114.9
206	S	26.9	Very low	28.4	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	82%	0.815	S	S	*	*			trans	-171.7	117.9	142.7	-85.8	0	0	0	0	109.2
207	S	25.7	Very low	28	Very low	104 Å²	104	136.8 Å²	136.8	73%	0.727	82%	0.817	S	S	*	*				69.5	95.9	79.6	172.8	0	0	0	0	113.8
208	V	30.1	Very low	27.8	Very low	145 Å²	145	141.2 Å²	141.2	88%	0.879	82%	0.823	S	S	*	*			trans	-139.4	126.2	149.7	-175.8	0	0	0	0	109.5
209	Y	23.8	Very low	27.5	Very low	187 Å²	187	142.7 Å²	142.7	73%	0.733	81%	0.814	S	S	*	*			trans	-66.4	145.3	168.9	-89.6	-118.5	0	0	0	111.3
210	M	29.1	Very low	27.5	Very low	185 Å²	185	143.5 Å²	143.5	91%	0.911	81%	0.814	S	S	*	*				-150.7	139.5	127.9	-98.1	-50.1	131.3	0	0	110.8
211	S	24.4	Very low	27.5	Very low	94 Å²	94	145.2 Å²	145.2	66%	0.657	81%	0.806	S	S	*	*			trans	-107.3	138.5	-178.1	-52.5	0	0	0	0	109.7
212	E	28.7	Very low	27.5	Very low	200 Å²	200	146.3 Å²	146.3	94%	0.935	80%	0.804	S	S	*	*			trans	-151.4	161.4	149.2	-124.7	169.3	-167.3	0	0	114.8
213	K	28	Very low	27.5	Very low	186 Å²	186	146 Å²	146	81%	0.809	80%	0.795	S	S	*	*			trans	-103.1	145.3	-157.6	-56.5	153.3	-179.7	164	0	111
214	K	29	Very low	27.5	Very low	203 Å²	203	147.5 Å²	147.5	88%	0.883	80%	0.802	S	S	*	*				177.1	144.2	116.2	-95.9	154.7	-175.9	172.9	0	113.9
215	A	26.8	Very low	27.4	Very low	85 Å²	85	146.7 Å²	146.7	70%	0.702	80%	0.797	S	S	*	*			trans	35.8	110.2	150.5	0	0	0	0	0	119.8
216	N	26.9	Very low	27.4	Very low	175 Å²	175	151 Å²	151	94%	0.936	80%	0.801	S	S	*	*				-175.4	86.7	117.1	-90.3	-18.7	0	0	0	110.1
217	G	24.6	Very low	27.5	Very low	71 Å²	71	151.4 Å²	151.4	73%	0.732	79%	0.794	S	S	*	*			trans	-138.3	91.4	177.5	0	0	0	0	0	111
218	F	27	Very low	27.8	Very low	204 Å²	204	156.5 Å²	156.5	90%	0.895	80%	0.803	S	S	*	*			trans	-141.6	102.4	169.6	-121	-89.5	0	0	0	111.5
219	F	27.6	Very low	27.8	Very low	153 Å²	153	156.8 Å²	156.8	67%	0.671	79%	0.794	S	S	*	*			trans	39.6	88.2	147.4	-99.4	-111.5	0	0	0	119.8	K221	F219-K221 HydrophobicContact CD1-CB 3.8Å; F219-K221 HydrophobicContact CE1-CB 4.18Å; F219-K221 HydrophobicContact CE1-CD 4.15Å; F219-K221 PolarHBondContact O-N 2.93Å; F219-K221 VanDerWaalsContact O-N 3.11Å
220	V	28.8	Very low	28.2	Very low	132 Å²	132	156.5 Å²	156.5	80%	0.8	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	60.4	160	-169.3	0	0	0	0	110.3	I223	V220-I223 HydrophobicContact CG1-CD1 4.5Å
221	K	29.2	Very low	28.2	Very low	165 Å²	165	154.1 Å²	154.1	72%	0.717	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	-11.8	179.1	-105.3	179.9	178.8	177.8	0	116.4	F219	F219-K221 HydrophobicContact CD1-CB 3.8Å; F219-K221 HydrophobicContact CE1-CB 4.18Å; F219-K221 HydrophobicContact CE1-CD 4.15Å; F219-K221 PolarHBondContact O-N 2.93Å; F219-K221 VanDerWaalsContact O-N 3.11Å
222	D	26.9	Very low	28.6	Very low	132 Å²	132	157.8 Å²	157.8	71%	0.706	80%	0.803	S	S	*	*	S	Bend	trans	-109.9	4.2	-172.7	-63	-30.3	0	0	0	115.4	L224	D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 PolarHBondContact O-N 3.03Å
223	I	29.3	Very low	28.6	Very low	138 Å²	138	158.9 Å²	158.9	71%	0.708	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-77	-12.2	-172.8	-63.3	179.4	0	0	0	113.5	V220 S225	V220-I223 HydrophobicContact CG1-CD1 4.5Å; I223-S225 VanDerWaalsContact C-N 3.27Å; I223-S225 PolarHBondContact O-N 3.45Å; I223-S225 VanDerWaalsContact O-N 3.15Å
224	L	27.9	Very low	28.8	Very low	183 Å²	183	161.2 Å²	161.2	96%	0.958	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-81.9	19	-175.8	-71.2	176.3	0	0	0	115.9	D222	D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 PolarHBondContact O-N 3.03Å
225	S	28.2	Very low	28.9	Very low	106 Å²	106	160.6 Å²	160.6	74%	0.741	80%	0.803	S	S	*	*	G	3₁₀ helix	trans	-125.4	2	-176.6	-141.5	0	0	0	0	116.4	I223 D227	I223-S225 VanDerWaalsContact C-N 3.27Å; I223-S225 PolarHBondContact O-N 3.45Å; I223-S225 VanDerWaalsContact O-N 3.15Å; S225-D227 PolarHBondContact O-N 3.05Å
226	F	27.7	Very low	29.1	Very low	210 Å²	210	166.1 Å²	166.1	92%	0.921	81%	0.811	S	S	*	*			trans	-77.7	119.4	-174.9	-118.5	-91.7	0	0	0	114.4
227	D	27.8	Very low	29.3	Very low	122 Å²	122	163.1 Å²	163.1	65%	0.652	80%	0.799	S	S	*	*			trans	-72.3	135.8	-160.4	-160.9	-6.1	0	0	0	114.1	S225 H229	S225-D227 PolarHBondContact O-N 3.05Å; D227-H229 PolarHBondContact O-N 3.37Å; D227-H229 IonicContact OD1-CD2 3.42Å
228	K	31.2	Very low	29.6	Very low	211 Å²	211	166.2 Å²	166.2	92%	0.917	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	25.4	-174.8	-94.4	-177.6	174.1	176.4	0	114.6
229	H	30.4	Very low	29.9	Very low	151 Å²	151	165.2 Å²	165.2	70%	0.699	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	3.2	-164	-102.3	-70.2	0	0	0	117	D227	D227-H229 PolarHBondContact O-N 3.37Å; D227-H229 IonicContact OD1-CD2 3.42Å
230	K	32.2	Very low	30.2	Very low	181 Å²	181	163.1 Å²	163.1	79%	0.787	81%	0.807	S	S	*	*	S	Bend	trans	-110	-5.8	-169.2	-128.9	174.6	-177.1	178.8	0	118.4
231	V	30.7	Very low	30.4	Very low	134 Å²	134	166.6 Å²	166.6	81%	0.812	81%	0.812	S	S	*	*	S	Bend	trans	-83.9	-18.5	-175	-178.8	0	0	0	0	114.2	R233	V231-R233 PolarHBondContact O-N 3.24Å
232	I	30.9	Very low	30.7	Very low	171 Å²	171	167.9 Å²	167.9	88%	0.877	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	34.2	-174.6	-50.5	175.9	0	0	0	112.8
233	R	30.7	Very low	31	Very low	223 Å²	223	171.6 Å²	171.6	84%	0.842	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140	11.3	178.7	-80.2	-160.4	-177.2	102.7	-5.5	116.4	V231	V231-R233 PolarHBondContact O-N 3.24Å
234	R	30.5	Very low	31	Very low	235 Å²	235	174.2 Å²	174.2	89%	0.887	84%	0.839	S	S	*	*	S	Bend	trans	-115	19.5	-177.8	-74.2	-171.2	172	-176.9	-3.4	116.3
235	Q	32.3	Very low	31.1	Very low	191 Å²	191	172.2 Å²	172.2	89%	0.893	84%	0.835	S	S	*	*			trans	-127.6	76	163.1	-76.1	-179.9	-14.1	0	0	108.6
236	K	31.1	Very low	31.2	Very low	201 Å²	201	175.4 Å²	175.4	87%	0.874	84%	0.842	S	S	*	*			trans	-151.5	32.5	172	-141.7	-178.4	-178	-171.8	0	114.2
237	T	29.8	Very low	31.5	Very low	111 Å²	111	172.3 Å²	172.3	68%	0.681	84%	0.84	S	S	*	*			trans	-128	129.6	146.5	58.9	0	0	0	0	101
238	D	31.2	Very low	31.8	Very low	137 Å²	137	176.5 Å²	176.5	73%	0.733	85%	0.852	S	S	*	*	S	Bend		-151.2	6.4	68.2	-61	-36.9	0	0	0	114	S240	D238-S240 PolarHBondContact O-N 3.23Å
239	D	33.4	Very low	31.7	Very low	182 Å²	182	169.9 Å²	169.9	97%	0.973	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	24.4	-177.1	-78.3	-6.5	0	0	0	115
240	S	34.3	Very low	31.8	Very low	110 Å²	110	173.7 Å²	173.7	77%	0.769	85%	0.852	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	7.8	-170.1	-161.1	0	0	0	0	115.9	D238	D238-S240 PolarHBondContact O-N 3.23Å
241	F	33.4	Very low	31.9	Very low	205 Å²	205	171.7 Å²	171.7	90%	0.899	85%	0.85	S	S	*	*	S	Bend	trans	-108.6	10.7	-167.7	-112.6	-80.4	0	0	0	116.8
242	E	34.2	Very low	32.1	Very low	191 Å²	191	173.8 Å²	173.8	89%	0.893	85%	0.851	S	S	*	*	S	Bend	trans	-122	25.3	-171.8	-143.3	176.8	-149.2	0	0	115
243	K	33.8	Very low	32.3	Very low	210 Å²	210	173.4 Å²	173.4	91%	0.913	85%	0.846	S	S	*	*			trans	-141	61.1	174.6	-75	-164.4	174.7	-172.5	0	114
244	E	28.3	Very low	32.6	Very low	193 Å²	193	171.6 Å²	171.6	90%	0.902	84%	0.844	S	S	*	*			trans	-145.9	39.4	170	-146.5	168	-139.4	0	0	114.8
245	V	31.4	Very low	32.8	Very low	142 Å²	142	168.4 Å²	168.4	86%	0.861	84%	0.837	S	S	*	*			trans	-140.6	88.7	166.7	-172.4	0	0	0	0	111
246	L	30.8	Very low	33	Very low	173 Å²	173	166.3 Å²	166.3	91%	0.906	83%	0.827	S	S	*	*			trans	175.9	88.9	147.8	-100.6	156.9	0	0	0	110.6
247	V	33.9	Very low	33	Very low	144 Å²	144	164.4 Å²	164.4	87%	0.873	82%	0.821	S	S	*	*			trans	-119.8	105.4	165	175.1	0	0	0	0	108.3
248	K	32.4	Very low	33.4	Very low	210 Å²	210	163.9 Å²	163.9	91%	0.913	82%	0.817	S	S	*	*			trans	-176.2	120.4	150.3	-110.4	168.5	-178.7	176.8	0	112.7
249	G	30.2	Very low	33.4	Very low	72 Å²	72	166.1 Å²	166.1	74%	0.742	82%	0.823	S	S	*	*			trans	111.3	129.2	147.5	0	0	0	0	0	117.1
250	R	32.7	Very low	33.2	Very low	231 Å²	231	160.6 Å²	160.6	87%	0.872	81%	0.81	S	S	*	*			trans	75.8	137.3	159.3	-59.2	-170.4	-179.7	146.1	1.8	117.9
251	D	35	Very low	33.1	Very low	139 Å²	139	167.7 Å²	167.7	74%	0.743	82%	0.82	S	S	*	*			cis	-152.7	176.2	-12.6	-91.8	-32.3	0	0	0	108.7
252	E	33.4	Very low	32.9	Very low	179 Å²	179	167.1 Å²	167.1	84%	0.836	82%	0.82	S	S	*	*			trans	-63.7	168.7	178.1	-58.3	160.9	164.9	0	0	111.3
253	E	34.9	Very low	33	Very low	163 Å²	163	167.4 Å²	167.4	76%	0.762	82%	0.818	S	S	*	*			cis	-176.3	-178.2	37.6	-157.8	-168.2	-168.5	0	0	109.4
254	K	37.4	Very low	33	Very low	185 Å²	185	165.5 Å²	165.5	80%	0.804	81%	0.81	S	S	*	*			trans	101.5	86.8	162.2	-60.5	179.1	-177.3	175.2	0	120.2
255	K	34.2	Very low	33.2	Very low	167 Å²	167	162.5 Å²	162.5	73%	0.726	80%	0.8	S	S	*	*			trans	-29.2	165.6	150.5	-66.2	161.7	143.2	-126.1	0	120.7
256	E	36.6	Very low	33.3	Very low	148 Å²	148	163.7 Å²	163.7	69%	0.692	80%	0.802	S	S	*	*			trans	71.6	142.2	142.2	-79.2	150.3	-144.4	0	0	117.9
257	E	31.5	Very low	33.4	Very low	161 Å²	161	162.5 Å²	162.5	75%	0.752	80%	0.795	S	S	*	*			cis	-169.1	179.8	-11.4	-160	-162.7	152.2	0	0	109.6
258	V	37.6	Very low	33.3	Very low	99 Å²	99	163.6 Å²	163.6	60%	0.6	80%	0.796	S	S	*	*			trans	85.9	109.8	157.1	-169.6	0	0	0	0	120.3
259	Q	32.2	Very low	33.2	Very low	184 Å²	184	161.7 Å²	161.7	86%	0.86	79%	0.787	S	S	*	*			trans	22.6	137.9	133.1	-52.1	161.4	-2.8	0	0	119.1
260	G	29.4	Very low	33.2	Very low	67 Å²	67	168.2 Å²	168.2	69%	0.691	79%	0.791	S	S	*	*			cis	135.1	143.4	13.2	0	0	0	0	0	110.5
261	R	32.7	Very low	33.2	Very low	258 Å²	258	165.8 Å²	165.8	97%	0.974	79%	0.787	S	S	*	*			trans	-173.2	107.7	162.9	-106.6	159.7	-160.3	-144.6	3.9	111
262	Q	28.9	Very low	32.7	Very low	194 Å²	194	166.2 Å²	166.2	91%	0.907	79%	0.788	S	S	*	*			trans	-78.5	150.1	165.6	-68.6	-175.9	-14	0	0	110.7
263	K	35.8	Very low	32.7	Very low	197 Å²	197	164.3 Å²	164.3	86%	0.857	78%	0.781	S	S	*	*			trans	-155.9	109.5	151.3	-122.6	174.1	-175.1	178.7	0	113.3
264	K	34	Very low	32.3	Very low	170 Å²	170	162.8 Å²	162.8	74%	0.739	78%	0.779	S	S	*	*			trans	61.7	106.4	144.3	-65.2	-168.4	166.2	-168.3	0	120.9
265	D	31.7	Very low	31.8	Very low	129 Å²	129	160 Å²	160	69%	0.69	78%	0.781	S	S	*	*				48.2	113.6	109.6	-38.4	-30.7	0	0	0	118.8
266	N	34	Very low	31.5	Very low	168 Å²	168	157.2 Å²	157.2	90%	0.898	78%	0.778	S	S	*	*				-159.8	140.3	102.6	-103.9	-34.8	0	0	0	112.9
267	I	31.9	Very low	31.1	Very low	148 Å²	148	157.2 Å²	157.2	76%	0.759	78%	0.783	S	S	*	*			trans	-91.3	135.9	-176.6	-68	161.6	0	0	0	109.4
268	N	33.3	Very low	31	Very low	167 Å²	167	157.4 Å²	157.4	89%	0.893	79%	0.787	S	S	*	*			trans	-148.9	129.9	139.5	-108.7	-30.5	0	0	0	111.8
269	K	30.8	Very low	30.6	Very low	169 Å²	169	156.8 Å²	156.8	74%	0.735	79%	0.788	S	S	*	*			trans	-99.7	-177.8	-172.3	-169.1	172.8	177.3	179.2	0	109.6
270	Y	29.2	Very low	30.5	Very low	209 Å²	209	156.1 Å²	156.1	82%	0.82	78%	0.784	S	S	*	*			trans	79.8	137.2	-178.7	-47.7	-74.1	0	0	0	113.5
271	K	31.6	Very low	30.6	Very low	180 Å²	180	159.3 Å²	159.3	78%	0.783	79%	0.785	S	S	*	*			cis	-149.2	137	9	-158.3	172.6	-178.3	178	0	110.5
272	I	26	Very low	30.5	Very low	149 Å²	149	153.7 Å²	153.7	76%	0.764	78%	0.775	S	S	*	*			trans	-77.6	136	167.8	-65.4	162.7	0	0	0	108.2
273	I	32.5	Very low	30.6	Very low	138 Å²	138	152.3 Å²	152.3	71%	0.708	77%	0.77	S	S	*	*			trans	-136.4	113.1	157.6	-60.9	-177.3	0	0	0	107.3
274	N	26.3	Very low	30.2	Very low	132 Å²	132	149.7 Å²	149.7	71%	0.706	77%	0.765	S	S	*	*			trans	-80.1	144.6	165.2	-73.5	-11.4	0	0	0	109
275	C	28.4	Very low	30	Very low	126 Å²	126	151.9 Å²	151.9	85%	0.851	77%	0.771	S	S	*	*			trans	-129.9	99	151	-67.6	0	0	0	0	107.8
276	T	26.6	Very low	30	Very low	108 Å²	108	151.5 Å²	151.5	66%	0.663	77%	0.773	S	S	*	*			trans	-82.7	-179.4	155.6	41.9	0	0	0	0	109.6
277	D	27.8	Very low	29.5	Very low	148 Å²	148	149.1 Å²	149.1	79%	0.791	77%	0.768	S	S	*	*			trans	77.9	125.6	178.6	-38.9	-26.1	0	0	0	111
278	I	31	Very low	29.5	Very low	165 Å²	165	149.7 Å²	149.7	85%	0.846	77%	0.772	S	S	*	*				-132	147.6	55.6	-71.8	157.3	0	0	0	112.5
279	S	27.8	Very low	29.1	Very low	87 Å²	87	148.3 Å²	148.3	61%	0.608	77%	0.765	S	S	*	*			trans	-83.1	165.6	179.3	53	0	0	0	0	114.6
280	H	31.4	Very low	29.2	Very low	169 Å²	169	145 Å²	145	78%	0.782	76%	0.764	S	S	*	*			trans	158.2	90.2	143.6	-84.3	-63.1	0	0	0	108.2
281	N	31.4	Very low	29.4	Very low	135 Å²	135	144.6 Å²	144.6	72%	0.722	77%	0.766	S	S	*	*				71.2	126.8	82.7	-82.6	0.4	0	0	0	117.1
282	N	29.5	Very low	29.1	Very low	140 Å²	140	143.1 Å²	143.1	75%	0.749	76%	0.762	S	S	*	*			trans	67.7	127.3	159.6	-58.4	-10.6	0	0	0	117.4
283	M	31.7	Very low	29.5	Very low	165 Å²	165	141.6 Å²	141.6	81%	0.813	76%	0.761	S	S	*	*			cis	-147.2	155.7	41.3	-93.7	-62.9	-166.4	0	0	114.3
284	N	28.1	Very low	29.2	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	76%	0.763	S	S	*	*			trans	-78.1	159.3	164.8	-67.8	-43.1	0	0	0	111.5
285	Y	29.5	Very low	29.4	Very low	217 Å²	217	142.6 Å²	142.6	85%	0.851	77%	0.768	S	S	*	*				-171.2	101.7	125.3	-96.7	-70.3	0	0	0	108
286	V	32.4	Very low	29.4	Very low	120 Å²	120	144.3 Å²	144.3	73%	0.727	76%	0.763	S	S	*	*				74	113.6	109.6	174.4	0	0	0	0	114.7
287	C	23.5	Very low	29.6	Very low	119 Å²	119	145.2 Å²	145.2	80%	0.804	76%	0.764	S	S	*	*			trans	-81.4	152.2	162.7	-63.6	0	0	0	0	110.5
288	D	30	Very low	29.5	Very low	159 Å²	159	144.7 Å²	144.7	85%	0.85	76%	0.76	S	S	*	*			trans	-130.5	143	159.6	-136	-23.6	0	0	0	111
289	N	25.6	Very low	29.6	Very low	139 Å²	139	146.3 Å²	146.3	74%	0.743	76%	0.764	S	S	*	*			trans	-102.5	146.7	-172.7	-62.9	-73.3	0	0	0	110.7
290	S	32.1	Very low	29.5	Very low	100 Å²	100	151 Å²	151	70%	0.699	77%	0.774	S	S	*	*			trans	171.8	133.7	132.8	-88.3	0	0	0	0	116.4
291	K	34.4	Very low	29.5	Very low	199 Å²	199	151.3 Å²	151.3	87%	0.865	78%	0.781	S	S	*	*			trans	82	94.6	141.7	-64.3	163.8	-170	176.3	0	121.1
292	E	25	Very low	29.4	Very low	150 Å²	150	153.9 Å²	153.9	70%	0.701	79%	0.786	S	S	*	*			trans	-61.7	-175.6	134.8	-116	-163.6	126.9	0	0	111.6	Q294	E292-Q294 PolarHBondContact OE1-NE2 2.98Å
293	P	34.2	Very low	29.5	Very low	116 Å²	116	154.9 Å²	154.9	75%	0.753	79%	0.79	S	S	*	*			cis	-138.9	-175.1	8.2	27.9	-1.2	0	0	0	118.5
294	Q	26.9	Very low	29.5	Very low	160 Å²	160	153.5 Å²	153.5	75%	0.748	79%	0.785	S	S	*	*			trans	-56.6	155.3	179	-45.9	170	29.1	0	0	119.4	E292	E292-Q294 PolarHBondContact OE1-NE2 2.98Å
295	V	31.2	Very low	29.4	Very low	132 Å²	132	153.8 Å²	153.8	80%	0.8	79%	0.786	S	S	*	*			trans	-159	113.6	142.3	-175.7	0	0	0	0	105.9
296	E	27.1	Very low	29.5	Very low	161 Å²	161	153.3 Å²	153.3	75%	0.752	79%	0.789	S	S	*	*				81.9	117.8	62.9	-156.9	-164.3	-123.1	0	0	115
297	N	30.4	Very low	29.2	Very low	127 Å²	127	156.4 Å²	156.4	68%	0.679	79%	0.793	S	S	*	*			trans	156.6	144.8	130.3	-86.9	-72.5	0	0	0	117.4
298	L	26.8	Very low	29.6	Very low	137 Å²	137	157.8 Å²	157.8	72%	0.717	80%	0.798	S	S	*	*			trans	-67.9	158.1	-169.9	-68.2	57.3	0	0	0	115.6
299	Q	32.2	Very low	29.5	Very low	200 Å²	200	156 Å²	156	94%	0.935	79%	0.793	S	S	*	*				-158.6	136.8	124	-108.9	162.2	14.9	0	0	113.2
300	K	27	Very low	29.8	Very low	186 Å²	186	153.2 Å²	153.2	81%	0.809	80%	0.796	S	S	*	*			trans	-107.6	152.1	173	-67.8	168.8	177.4	166.6	0	108.6
301	N	31.2	Very low	29.6	Very low	174 Å²	174	153 Å²	153	93%	0.93	79%	0.794	S	S	*	*			trans	-161.4	149.3	140.6	-98.8	-28.4	0	0	0	113.5
302	K	28.2	Very low	29.7	Very low	189 Å²	189	153.1 Å²	153.1	82%	0.822	80%	0.798	S	S	*	*			trans	-110.1	154.8	176.4	-67	172.7	171.6	178.6	0	109.7
303	L	32.4	Very low	29.9	Very low	161 Å²	161	154.6 Å²	154.6	84%	0.843	81%	0.805	S	S	*	*			trans	-174.1	119.9	146.7	-89.4	136.8	0	0	0	105.5
304	I	31.1	Very low	30	Very low	137 Å²	137	157.5 Å²	157.5	70%	0.703	81%	0.809	S	S	*	*				99.8	113.6	54	-75.2	167.9	0	0	0	112.8
305	N	25.9	Very low	30.4	Very low	146 Å²	146	157.8 Å²	157.8	78%	0.781	81%	0.81	S	S	*	*			trans	13.9	137.4	152.5	-53.2	-8.5	0	0	0	121.4
306	K	31.8	Very low	30.8	Very low	207 Å²	207	157.4 Å²	157.4	90%	0.9	80%	0.804	S	S	*	*				-169.7	155.5	95.4	-108.8	177.6	177.9	179.6	0	116.2
307	F	26.5	Very low	31.4	Very low	185 Å²	185	156.7 Å²	156.7	81%	0.811	81%	0.805	S	S	*	*			trans	-59.9	157	172.6	-80	-116.9	0	0	0	114.9
308	T	31.8	Very low	31.7	Very low	148 Å²	148	157.6 Å²	157.6	91%	0.908	81%	0.809	S	S	*	*				-150.6	147.4	122.2	35.1	0	0	0	0	110.9
309	V	27.3	Very low	32.3	Very low	123 Å²	123	157.9 Å²	157.9	75%	0.745	81%	0.812	S	S	*	*			trans	-106.8	151.2	178.2	169.6	0	0	0	0	109.1
310	G	32.8	Very low	32.5	Very low	79 Å²	79	154.4 Å²	154.4	81%	0.814	80%	0.799	S	S	*	*			trans	-151.8	117.6	165.4	0	0	0	0	0	109.5
311	S	28.3	Very low	33.1	Very low	95 Å²	95	153.4 Å²	153.4	66%	0.664	80%	0.802	S	S	*	*			trans	-101	152.9	175.1	-49.8	0	0	0	0	109.5
312	E	34.8	Very low	33.1	Very low	203 Å²	203	152.5 Å²	152.5	95%	0.949	80%	0.797	S	S	*	*			trans	-157.2	146.4	149.7	-108.8	155.1	-143.2	0	0	107.7
313	E	30.4	Very low	33.2	Very low	180 Å²	180	147.6 Å²	147.6	84%	0.841	79%	0.792	S	S	*	*			trans	-118.3	-153.7	-159.4	-62.4	178.4	145.7	0	0	111.8
314	E	36.1	Very low	33.1	Very low	177 Å²	177	144.1 Å²	144.1	83%	0.827	79%	0.786	S	S	*	*			trans	83.5	111.1	178.7	-52.8	-178.5	-170.9	0	0	114.5
315	E	35.5	Very low	33.5	Very low	167 Å²	167	147.4 Å²	147.4	78%	0.78	80%	0.796	S	S	*	*				71.1	136.4	56.4	-62.4	-175.9	168.3	0	0	111.3
316	D	38.7	Very low	33.9	Very low	124 Å²	124	146.5 Å²	146.5	66%	0.663	79%	0.79	S	S	*	*			cis	-165.9	179.5	7.8	-117.8	-9.4	0	0	0	111.8
317	N	40.3	Very low	34.2	Very low	145 Å²	145	142 Å²	142	78%	0.775	78%	0.777	S	S	*	*			trans	102.7	113.6	152.9	-57.3	-70.2	0	0	0	121.1
318	D	36.2	Very low	34.5	Very low	146 Å²	146	139.5 Å²	139.5	78%	0.781	77%	0.771	S	S	*	*			trans	-53.2	159.7	161.1	-49.5	-74.9	0	0	0	114.9
319	D	40.1	Very low	34.8	Very low	144 Å²	144	137.2 Å²	137.2	77%	0.77	76%	0.757	S	S	*	*				-179.9	153.1	95.8	-122.6	-28.8	0	0	0	116.4
320	I	37	Very low	35.1	Very low	127 Å²	127	136.8 Å²	136.8	65%	0.651	75%	0.751	S	S	*	*			trans	-48.3	148.8	179.2	-67.4	155.4	0	0	0	116.2
321	N	37.7	Very low	35.2	Very low	165 Å²	165	142.3 Å²	142.3	88%	0.882	75%	0.749	S	S	*	*				-170	148.2	125	-102.4	-64.1	0	0	0	116.4
322	D	32.3	Very low	35.4	Very low	154 Å²	154	144.4 Å²	144.4	82%	0.824	75%	0.752	S	S	*	*			trans	-99	-177.1	-168.5	-111.1	-49.9	0	0	0	114.5
323	A	30.3	Very low	35.1	Very low	86 Å²	86	144.4 Å²	144.4	71%	0.711	74%	0.743	S	S	*	*			trans	96.2	95.1	147.5	0	0	0	0	0	120.6
324	A	30.2	Very low	35.3	Very low	88 Å²	88	142.8 Å²	142.8	73%	0.727	73%	0.733	S	S	*	*				40	122.2	117.1	0	0	0	0	0	121.3
325	K	38.6	Very low	35	Very low	207 Å²	207	139.7 Å²	139.7	90%	0.9	73%	0.726	S	S	*	*				179.1	156.9	127.6	-92.6	143	-167.9	167.7	0	109
326	N	34.7	Very low	34.8	Very low	126 Å²	126	137.3 Å²	137.3	67%	0.674	72%	0.723	S	S	*	*			cis	172.5	178.9	-20.5	-169.7	7.7	0	0	0	104.9
327	N	38.5	Very low	34.6	Very low	114 Å²	114	136.1 Å²	136.1	61%	0.61	73%	0.725	S	S	*	*			trans	86.7	106.7	161.1	-47.8	-36.8	0	0	0	115.1
328	N	33.3	Very low	34.2	Very low	131 Å²	131	136.2 Å²	136.2	70%	0.701	73%	0.725	S	S	*	*				96.5	147.4	75.3	-79.7	-26.9	0	0	0	111
329	T	36.9	Very low	34.3	Very low	100 Å²	100	137.2 Å²	137.2	61%	0.613	73%	0.731	S	S	*	*			cis	-164.2	139.5	18.3	5.8	0	0	0	0	112.4
330	N	34	Very low	33.8	Very low	115 Å²	115	133.7 Å²	133.7	62%	0.615	73%	0.728	S	S	*	*			trans	58.1	159.8	131.4	-69.5	-13.7	0	0	0	125.6
331	Y	34.6	Very low	33.8	Very low	194 Å²	194	137.3 Å²	137.3	76%	0.761	74%	0.744	S	S	*	*			trans	92.1	127.5	155	-52.9	-62.3	0	0	0	116.7
332	L	33.7	Very low	33.6	Very low	140 Å²	140	138.5 Å²	138.5	73%	0.733	74%	0.742	S	S	*	*			cis	-166.4	129.1	-4	-177.7	67.7	0	0	0	110.6
333	R	28.8	Very low	33.5	Very low	203 Å²	203	138.2 Å²	138.2	77%	0.766	74%	0.74	S	S	*	*			trans	37.8	145	131.7	-119.8	178.3	-173.2	-170.1	8	119.3
334	K	33.4	Very low	33.7	Very low	145 Å²	145	144 Å²	144	63%	0.63	75%	0.749	S	S	*	*			cis	177.7	124.4	42	-179.8	143.4	180	178.3	0	113.7
335	T	29.9	Very low	33.7	Very low	112 Å²	112	144.7 Å²	144.7	69%	0.687	75%	0.748	S	S	*	*			trans	48.2	161.5	137.2	71.1	0	0	0	0	122.9
336	V	31.2	Very low	33.5	Very low	118 Å²	118	142.4 Å²	142.4	72%	0.715	75%	0.746	S	S	*	*			cis	-171.7	172.9	-8.4	135.5	0	0	0	0	108.5
337	S	35.3	Very low	33.2	Very low	99 Å²	99	147.6 Å²	147.6	69%	0.692	76%	0.756	S	S	*	*			trans	89.7	109.3	169.9	-51.3	0	0	0	0	114.6
338	D	31.4	Very low	33	Very low	146 Å²	146	149.9 Å²	149.9	78%	0.781	77%	0.768	S	S	*	*				73.2	103.7	64.6	-70.5	-36.5	0	0	0	113.4
339	D	37.8	Very low	33	Very low	168 Å²	168	152.1 Å²	152.1	90%	0.898	77%	0.774	S	S	*	*				-173.6	136.2	99.1	-107.2	-33.2	0	0	0	110.6
340	G	30.6	Very low	32.9	Very low	69 Å²	69	153.7 Å²	153.7	71%	0.711	78%	0.779	S	S	*	*			trans	-109.1	151.6	-178.2	0	0	0	0	0	112.9
341	M	36.3	Very low	33	Very low	203 Å²	203	156.8 Å²	156.8	100%	1	79%	0.787	S	S	*	*			trans	-138.4	146.8	155.4	-84.6	-132.8	170.1	0	0	113.5
342	K	32.8	Very low	32.9	Very low	190 Å²	190	157.4 Å²	157.4	83%	0.826	79%	0.793	S	S	*	*			trans	-86.9	146.6	-161.2	-87.8	174.3	173.4	172.6	0	114
343	L	30.2	Very low	32.8	Very low	149 Å²	149	159.1 Å²	159.1	78%	0.78	80%	0.802	S	S	*	*			trans	49.3	122.7	134.2	-55.6	168.4	0	0	0	119
344	K	35.3	Very low	32.9	Very low	207 Å²	207	152.9 Å²	152.9	90%	0.9	80%	0.801	S	S	*	*				-163.4	142.4	105.7	-104.4	158.6	-173.8	175.9	0	112.6
345	S	29.8	Very low	33	Very low	103 Å²	103	152.2 Å²	152.2	72%	0.72	81%	0.814	S	S	*	*			trans	-74.3	150.5	173.7	49.7	0	0	0	0	111.4
346	N	34.2	Very low	33.4	Very low	159 Å²	159	159.1 Å²	159.1	85%	0.85	83%	0.828	S	S	*	*				-160.1	124.8	127.4	-102.6	-28.5	0	0	0	111.7
347	R	28.7	Very low	33.6	Very low	235 Å²	235	157 Å²	157	89%	0.887	83%	0.83	S	S	*	*			trans	-66.4	135.2	162	-72.5	173.6	172.8	146.6	-2.3	107.7
348	N	35	Very low	33.6	Very low	161 Å²	161	163.5 Å²	163.5	86%	0.861	84%	0.839	S	S	*	*			trans	-155.6	137.7	141.8	-103.4	-34	0	0	0	111.9
349	H	33.3	Very low	33.9	Very low	179 Å²	179	164.2 Å²	164.2	83%	0.829	84%	0.842	S	S	*	*			trans	-66.8	130.3	178.4	-68.1	-73.2	0	0	0	111.1
350	N	35.1	Very low	33.7	Very low	132 Å²	132	163.7 Å²	163.7	71%	0.706	83%	0.833	S	S	*	*			trans	-153.9	120.1	146.2	-102.2	-48.8	0	0	0	113.2
351	K	36.6	Very low	33.8	Very low	181 Å²	181	168.8 Å²	168.8	79%	0.787	84%	0.839	S	S	*	*			trans	47.5	86.2	136.4	-61.7	169.3	-172.4	169.4	0	118	L353	K351-L353 PolarHBondContact O-N 3.41Å
352	K	31.7	Very low	33.8	Very low	207 Å²	207	166.7 Å²	166.7	90%	0.9	83%	0.83	S	S	*	*				20.3	93.4	119.2	-176	-172.7	-178.7	-178.5	0	115.2
353	L	32.3	Very low	34	Very low	176 Å²	176	163.5 Å²	163.5	92%	0.921	83%	0.826	S	S	*	*			trans	-171.3	143.9	150	-101.5	162.8	0	0	0	109.3	K351	K351-L353 PolarHBondContact O-N 3.41Å
354	G	29.8	Very low	34.1	Very low	71 Å²	71	161 Å²	161	73%	0.732	82%	0.821	S	S	*	*			trans	67	87.4	159.2	0	0	0	0	0	119.9
355	S	35.8	Very low	34.1	Very low	131 Å²	131	155.7 Å²	155.7	92%	0.916	81%	0.81	S	S	*	*			trans	-164.6	71.8	148.2	-86.7	0	0	0	0	110.6
356	R	38.8	Very low	34.5	Very low	258 Å²	258	157.4 Å²	157.4	97%	0.974	81%	0.812	S	S	*	*			trans	-133.1	15.2	-178.4	-141.8	177.4	174.2	135.3	0.8	113.8
357	G	34.3	Very low	34.6	Very low	74 Å²	74	159.9 Å²	159.9	76%	0.763	82%	0.815	S	S	*	*			trans	-131.3	40.6	-165.4	0	0	0	0	0	115.5
358	R	35.7	Very low	35.3	Very low	235 Å²	235	154.2 Å²	154.2	89%	0.887	80%	0.801	S	S	*	*	S	Bend	trans	-143.2	37.3	177	-149.1	-172.7	-66.5	-168.2	0.7	115.2
359	I	38.4	Very low	35.4	Very low	161 Å²	161	153 Å²	153	83%	0.826	80%	0.795	S	S	*	*	S	Bend	trans	-127.6	-1.6	171.1	-52.5	-177.6	0	0	0	111.4
360	H	34.2	Very low	36	Very low	156 Å²	156	150.5 Å²	150.5	72%	0.722	79%	0.792	S	S	*	*	S	Bend	trans	-95	12.9	-171.8	-160.6	-86.1	0	0	0	115
361	E	31.7	Very low	36.5	Very low	176 Å²	176	150.2 Å²	150.2	82%	0.822	79%	0.791	S	S	*	*	S	Bend	trans	-119.6	2.7	-172.8	-93.3	177.8	150.3	0	0	116
362	I	37.2	Very low	37.1	Very low	160 Å²	160	145.7 Å²	145.7	82%	0.821	78%	0.775	S	S	*	*	S	Bend	trans	-107.4	-0.6	175.5	-55.3	178.3	0	0	0	111.5
363	T	35.1	Very low	37.9	Very low	122 Å²	122	142 Å²	142	75%	0.748	77%	0.773	S	S	*	*	S	Bend	trans	-109.2	6.2	-172.1	-30.1	0	0	0	0	114.3
364	S	34.2	Very low	38.8	Very low	96 Å²	96	137.7 Å²	137.7	67%	0.671	76%	0.757	S	S	*	*	S	Bend	trans	-114.8	2.1	-167	-56.8	0	0	0	0	115.8
365	S	34.9	Very low	39.9	Very low	96 Å²	96	140 Å²	140	67%	0.671	74%	0.744	S	S	*	*	S	Bend	trans	-125.4	-16.1	-171.7	47.9	0	0	0	0	116	K367	S365-K367 PolarHBondContact O-N 2.92Å; S365-K367 VanDerWaalsContact O-N 3.08Å
366	N	36.6	Very low	40.9	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	73%	0.732	S	S	*	*			trans	-82	88.6	173.4	-81.3	-5.9	0	0	0	111.2	L368	N366-L368 HydrophobicContact CB-CG 4.48Å; N366-L368 PolarHBondContact O-N 3.4Å
367	K	38.1	Very low	42	Very low	210 Å²	210	136.1 Å²	136.1	91%	0.913	73%	0.725	S	S	*	*			trans	-61.7	84.6	156.5	-83	-176.6	174.3	178.2	0	108.7	S365 N369	S365-K367 PolarHBondContact O-N 2.92Å; S365-K367 VanDerWaalsContact O-N 3.08Å; K367-N369 PolarHBondContact O-N 2.9Å
368	L	41.9	Very low	43.5	Very low	116 Å²	116	133.7 Å²	133.7	61%	0.607	69%	0.694	S	S	*	*			trans	-65	118.5	173.5	-72.5	168.9	0	0	0	108.9	N366 T370	N366-L368 HydrophobicContact CB-CG 4.48Å; N366-L368 PolarHBondContact O-N 3.4Å; L368-T370 PolarHBondContact O-N 3.32Å
369	N	37.4	Very low	45	Very low	135 Å²	135	125.6 Å²	125.6	72%	0.722	67%	0.672	S	S	*	*			trans	-54	120.3	176.3	-119.8	-17.6	0	0	0	109.2	K367 N371	K367-N369 PolarHBondContact O-N 2.9Å; N369-N371 PolarHBondContact O-N 3.41Å
370	T	46.7	Very low	45.9	Very low	127 Å²	127	121.6 Å²	121.6	78%	0.779	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	6.9	-172.5	48.8	0	0	0	0	114.4	L368	L368-T370 PolarHBondContact O-N 3.32Å
371	N	45.5	Very low	47.8	Very low	127 Å²	127	121.4 Å²	121.4	68%	0.679	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	20.8	-158.7	-59	-7.8	0	0	0	113.1	N369 P373	N369-N371 PolarHBondContact O-N 3.41Å; N371-P373 WeakPolarHBondContact O-CD 3.39Å
372	D	48.7	Very low	49.3	Very low	86 Å²	86	113.7 Å²	113.7	46%	0.46	62%	0.621	S	S	.	*			trans	-88.1	109.9	177.1	-167.5	-27.2	0	0	0	110.7	S374 R375	D372-S374 PolarHBondContact O-N 2.95Å; D372-S374 VanDerWaalsContact O-N 3.14Å; D372-S374 VanDerWaalsContact OD1-CB 3.31Å; D372-S374 WeakPolarHBondContact OD1-CB 3.49Å; D372-S374 PolarHBondContact OD1-N 3.09Å; D372-S374 PolarHBondContact OD1-OG 2.9Å; D372-S374 PolarHBondContact OD2-OG 3.17Å; D372-R375 PolarHBondContact O-N 3.45Å
373	P	48.7	Very low	50.2	Low	130 Å²	130	109.3 Å²	109.3	84%	0.844	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-4.5	-177.2	31.5	-36.6	0	0	0	113.7	N371 R375	N371-P373 WeakPolarHBondContact O-CD 3.39Å; P373-R375 VanDerWaalsContact C-N 3.34Å
374	S	51.4	Low	51.3	Low	85 Å²	85	108.7 Å²	108.7	59%	0.594	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-12.8	173.9	69.7	0	0	0	0	113.8	D372 L376	D372-S374 PolarHBondContact O-N 2.95Å; D372-S374 VanDerWaalsContact O-N 3.14Å; D372-S374 VanDerWaalsContact OD1-CB 3.31Å; D372-S374 WeakPolarHBondContact OD1-CB 3.49Å; D372-S374 PolarHBondContact OD1-N 3.09Å; D372-S374 PolarHBondContact OD1-OG 2.9Å; D372-S374 PolarHBondContact OD2-OG 3.17Å; S374-L376 PolarHBondContact O-N 2.98Å; S374-L376 VanDerWaalsContact O-N 3.07Å
375	R	52.2	Low	52.6	Low	120 Å²	120	106.3 Å²	106.3	45%	0.453	58%	0.577	S	S	.	*	S	Bend	trans	-71.6	102	174.6	-74.5	-178	171.9	-110.9	-10.2	110.6	D372 P373 H377 E483	D372-R375 PolarHBondContact O-N 3.45Å; P373-R375 VanDerWaalsContact C-N 3.34Å; R375-H377 PolarHBondContact O-N 3.14Å; R375-E483 IonicContact NH1-OE2 2.8Å
376	L	57.4	Low	53.5	Low	127 Å²	127	110 Å²	110	67%	0.665	58%	0.577	S	S	*	*			trans	-55.8	107.9	167	-66	175.1	0	0	0	109.2	S374 L378	S374-L376 PolarHBondContact O-N 2.98Å; S374-L376 VanDerWaalsContact O-N 3.07Å; L376-L378 PolarHBondContact O-N 3.31Å
377	H	62	Low	54.1	Low	180 Å²	180	107.3 Å²	107.3	83%	0.833	56%	0.557	S	S	*	*			trans	-71.2	84.7	176.5	-173.6	-124.3	0	0	0	109.3	R375	R375-H377 PolarHBondContact O-N 3.14Å
378	L	66.2	Low	54.8	Low	22 Å²	22	98 Å²	98	12%	0.115	52%	0.518	C	S	.	.			trans	-54.8	133.5	178.2	-68.5	166.7	0	0	0	109.4	L376 A380 V382 F383 L476 L480	L376-L378 PolarHBondContact O-N 3.31Å; L378-A380 PolarHBondContact O-N 3.5Å; L378-V382 HydrophobicContact CB-CB 4.19Å; L378-V382 HydrophobicContact CB-CG1 4.33Å; L378-V382 HydrophobicContact CB-CG2 4.27Å; L378-V382 HydrophobicContact CD1-CG1 4.17Å; L378-F383 HydrophobicContact CB-CE2 3.88Å; L378-F383 HydrophobicContact CB-CZ 4.16Å; L378-F383 HydrophobicContact CD1-CZ 4.48Å; L378-F383 WeakPolarHBondContact O-CE2 3.41Å; L378-L476 HydrophobicContact CD2-CD1 4.36Å; L378-L480 HydrophobicContact CD1-CD2 4.05Å
379	P	67.5	Low	55.2	Low	65 Å²	65	97.6 Å²	97.6	42%	0.422	52%	0.516	S	S	.	.			trans	-54.1	143.2	176.8	-28.7	36	0	0	0	111.9	W381 V382	P379-W381 HydrophobicContact CB-CG 4.48Å; P379-W381 PolarHBondContact O-N 2.99Å; P379-V382 WeakPolarHBondContact O-CB 3.31Å; P379-V382 WeakPolarHBondContact O-CG2 3.29Å; P379-V382 PolarHBondContact O-N 3.48Å
380	A	55.4	Low	55.8	Low	78 Å²	78	99.4 Å²	99.4	65%	0.645	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-50.8	-33.2	-172.9	0	0	0	0	0	114.1	L378 V382 F383 C384	L378-A380 PolarHBondContact O-N 3.5Å; A380-V382 PolarHBondContact O-N 3.18Å; A380-F383 PolarHBondContact O-N 3.23Å; A380-C384 PolarHBondContact O-N 2.87Å
381	W	74.4	Confident	56.2	Low	152 Å²	152	99.1 Å²	99.1	58%	0.576	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-60.6	-27.4	178	74.9	-101.1	0	0	0	113.8	P379 F383 C384 T385	P379-W381 HydrophobicContact CB-CG 4.48Å; P379-W381 PolarHBondContact O-N 2.99Å; W381-F383 VanDerWaalsContact C-N 3.29Å; W381-F383 PolarHBondContact O-N 3.42Å; W381-C384 CarbonylContact O-C 3.48Å; W381-C384 WeakPolarHBondContact O-CA 3.08Å; W381-C384 WeakPolarHBondContact O-CB 3.38Å; W381-C384 PolarHBondContact O-N 3.18Å; W381-T385 HydrophobicContact CE3-CG2 3.71Å; W381-T385 HydrophobicContact CZ3-CG2 3.67Å; W381-T385 WeakPolarHBondContact O-CG2 3.18Å; W381-T385 PolarHBondContact O-N 2.94Å
382	V	64.7	Low	56.4	Low	13 Å²	13	98.6 Å²	98.6	8%	0.079	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-61	-41.5	177.7	-179.7	0	0	0	0	110.3	L378 P379 A380 C384 T385 S388 L480	L378-V382 HydrophobicContact CB-CB 4.19Å; L378-V382 HydrophobicContact CB-CG1 4.33Å; L378-V382 HydrophobicContact CB-CG2 4.27Å; L378-V382 HydrophobicContact CD1-CG1 4.17Å; P379-V382 WeakPolarHBondContact O-CB 3.31Å; P379-V382 WeakPolarHBondContact O-CG2 3.29Å; P379-V382 PolarHBondContact O-N 3.48Å; A380-V382 PolarHBondContact O-N 3.18Å; V382-C384 PolarHBondContact O-N 2.81Å; V382-T385 WeakPolarHBondContact O-CB 3.41Å; V382-T385 WeakPolarHBondContact O-CG2 3.33Å; V382-T385 PolarHBondContact O-N 3.4Å; V382-T385 PolarHBondContact O-OG1 2.84Å; V382-S388 PolarHBondContact O-OG 3.12Å; V382-L480 HydrophobicContact CG1-CD2 3.93Å
383	F	56.1	Low	56.4	Low	69 Å²	69	98.7 Å²	98.7	30%	0.303	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-75.3	-8.6	174.6	-54.7	-88.4	0	0	0	114.1	L378 A380 W381 S388 L485	L378-F383 HydrophobicContact CB-CE2 3.88Å; L378-F383 HydrophobicContact CB-CZ 4.16Å; L378-F383 HydrophobicContact CD1-CZ 4.48Å; L378-F383 WeakPolarHBondContact O-CE2 3.41Å; A380-F383 PolarHBondContact O-N 3.23Å; W381-F383 VanDerWaalsContact C-N 3.29Å; W381-F383 PolarHBondContact O-N 3.42Å; F383-S388 WeakPolarHBondContact CA-OG 3.29Å; F383-S388 PolarHBondContact O-OG 3.39Å; F383-L485 HydrophobicContact CD1-CD1 3.78Å; F383-L485 HydrophobicContact CD1-CD2 4.06Å; F383-L485 HydrophobicContact CE1-CD1 3.47Å; F383-L485 VanDerWaalsContact CE1-CD1 3.47Å; F383-L485 HydrophobicContact CE1-CD2 4.34Å; F383-L485 HydrophobicContact CZ-CD1 4.4Å
384	C	57.3	Low	56.6	Low	109 Å²	109	94.8 Å²	94.8	74%	0.736	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-101.7	3.1	172.9	-58.5	0	0	0	0	112.7	A380 W381 V382	A380-C384 PolarHBondContact O-N 2.87Å; W381-C384 CarbonylContact O-C 3.48Å; W381-C384 WeakPolarHBondContact O-CA 3.08Å; W381-C384 WeakPolarHBondContact O-CB 3.38Å; W381-C384 PolarHBondContact O-N 3.18Å; V382-C384 PolarHBondContact O-N 2.81Å
385	T	61	Low	56.7	Low	45 Å²	45	96.8 Å²	96.8	28%	0.276	52%	0.521	S	S	.	.	S	Bend	trans	-71.7	168.1	175.8	67.2	0	0	0	0	111.7	W381 V382 Y387 S388	W381-T385 HydrophobicContact CE3-CG2 3.71Å; W381-T385 HydrophobicContact CZ3-CG2 3.67Å; W381-T385 WeakPolarHBondContact O-CG2 3.18Å; W381-T385 PolarHBondContact O-N 2.94Å; V382-T385 WeakPolarHBondContact O-CB 3.41Å; V382-T385 WeakPolarHBondContact O-CG2 3.33Å; V382-T385 PolarHBondContact O-N 3.4Å; V382-T385 PolarHBondContact O-OG1 2.84Å; T385-Y387 PolarHBondContact O-N 2.87Å; T385-S388 PolarHBondContact O-OG 2.82Å
386	R	53.8	Low	56.8	Low	174 Å²	174	100.1 Å²	100.1	66%	0.657	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-13.2	176.4	-174.9	174.7	71.3	136.2	-0.3	114.3
387	Y	49.1	Very low	56.6	Low	84 Å²	84	101.1 Å²	101.1	33%	0.329	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-24.6	-166.1	-59.7	-77.7	0	0	0	114.2	T385 L485 Y486	T385-Y387 PolarHBondContact O-N 2.87Å; Y387-L485 CarbonylContact C-O 3.38Å; Y387-Y486 HydrophobicContact CD1-CE2 4.35Å
388	S	54	Low	56.4	Low	15 Å²	15	103.8 Å²	103.8	11%	0.105	54%	0.541	C	S	.	.			trans	-85.5	111.4	-176.9	38.7	0	0	0	0	112.1	V382 F383 T385 R390	V382-S388 PolarHBondContact O-OG 3.12Å; F383-S388 WeakPolarHBondContact CA-OG 3.29Å; F383-S388 PolarHBondContact O-OG 3.39Å; T385-S388 PolarHBondContact O-OG 2.82Å; S388-R390 PolarHBondContact O-N 2.8Å
389	D	49.2	Very low	56	Low	107 Å²	107	111.7 Å²	111.7	57%	0.572	58%	0.575	S	S	*	*			trans	-72.7	46.5	-178	-74.5	-29.4	0	0	0	113.9	N487	D389-N487 WeakPolarHBondContact OD2-CB 3.44Å; D389-N487 PolarHBondContact OD2-ND2 3.03Å
390	R	51.5	Low	55.3	Low	172 Å²	172	113.2 Å²	113.2	65%	0.649	58%	0.584	S	S	*	*			trans	-75.6	125.5	173.2	-159.5	90.1	-178.7	-168.4	3.5	109	S388 S392 S393	S388-R390 PolarHBondContact O-N 2.8Å; R390-S392 PolarHBondContact O-N 2.9Å; R390-S393 PolarHBondContact O-N 2.86Å
391	P	54.4	Low	55.3	Low	121 Å²	121	121 Å²	121	79%	0.786	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	3.6	-174.3	23.7	-34.4	0	0	0	116.4	S393	P391-S393 VanDerWaalsContact C-N 3.33Å
392	S	50.1	Low	54.4	Low	117 Å²	117	121.2 Å²	121.2	82%	0.818	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-26.6	171.5	-168.4	0	0	0	0	112.7	R390 G394	R390-S392 PolarHBondContact O-N 2.9Å; S392-G394 PolarHBondContact O-N 2.8Å; S392-G394 VanDerWaalsContact O-N 3.13Å
393	S	48.8	Very low	53.5	Low	88 Å²	88	128.6 Å²	128.6	62%	0.615	65%	0.645	S	S	*	*	S	Bend	trans	-80.9	87.2	163	-79.3	0	0	0	0	109.4	R390 P391	R390-S393 PolarHBondContact O-N 2.86Å; P391-S393 VanDerWaalsContact C-N 3.33Å
394	G	53.1	Low	53.2	Low	48 Å²	48	133 Å²	133	50%	0.495	66%	0.66	S	S	.	*			trans	-52.4	160.8	179.4	0	0	0	0	0	113.6	S392 R396	S392-G394 PolarHBondContact O-N 2.8Å; S392-G394 VanDerWaalsContact O-N 3.13Å; G394-R396 PolarHBondContact O-N 2.84Å
395	P	52.3	Low	52.8	Low	126 Å²	126	131.2 Å²	131.2	82%	0.818	65%	0.649	S	S	*	*			trans	-48.3	110	-168	-29.4	35.1	0	0	0	112.2	I397	P395-I397 PolarHBondContact O-N 3.06Å
396	R	53.6	Low	52.5	Low	191 Å²	191	135 Å²	135	72%	0.721	67%	0.667	S	S	*	*			trans	-72.8	80.3	179.1	-131.5	-174.4	-69.9	-159.9	-2.4	108.2	G394 R398	G394-R396 PolarHBondContact O-N 2.84Å; R396-R398 PolarHBondContact O-N 3.09Å
397	I	54.4	Low	52.7	Low	148 Å²	148	132 Å²	132	76%	0.759	66%	0.664	S	S	*	*			trans	-50.3	108.3	169.1	-65.1	165.9	0	0	0	105	P395 K399	P395-I397 PolarHBondContact O-N 3.06Å; I397-K399 PolarHBondContact O-N 3.14Å
398	R	58.3	Low	53.1	Low	235 Å²	235	131.8 Å²	131.8	89%	0.887	67%	0.666	S	S	*	*			trans	-62.9	97.8	169.9	-72.2	-177.3	174.2	126.5	-0.7	104.8	R396	R396-R398 PolarHBondContact O-N 3.09Å
399	K	58.1	Low	53.2	Low	188 Å²	188	135.3 Å²	135.3	82%	0.817	68%	0.683	S	S	*	*			trans	-42.9	118.4	166.7	-108	169.6	173	170.8	0	105	I397 R401	I397-K399 PolarHBondContact O-N 3.14Å; K399-R401 PolarHBondContact O-N 3.14Å
400	P	52.3	Low	53.5	Low	97 Å²	97	136.2 Å²	136.2	63%	0.63	69%	0.688	S	S	*	*			trans	-53	137.2	178.9	22	-32	0	0	0	106.2	M402	P400-M402 PolarHBondContact O-N 3.3Å
401	R	54.8	Low	53.9	Low	242 Å²	242	134.9 Å²	134.9	91%	0.913	69%	0.693	S	S	*	*			trans	-61.9	97.9	175.5	-70.7	179.9	179.4	166.1	0.1	105.7	K399 N403	K399-R401 PolarHBondContact O-N 3.14Å; R401-N403 PolarHBondContact O-N 2.93Å
402	M	55.5	Low	54.4	Low	156 Å²	156	135.7 Å²	135.7	77%	0.768	69%	0.685	S	S	*	*			trans	-49.8	135.9	164.4	-67.5	-60	-172.2	0	0	106	P400 R404	P400-M402 PolarHBondContact O-N 3.3Å; M402-R404 PolarHBondContact O-N 2.98Å
403	N	46.6	Very low	55.2	Low	168 Å²	168	140.6 Å²	140.6	90%	0.898	69%	0.685	S	S	*	*			trans	-57.4	91.7	176.4	-90.1	-9.9	0	0	0	108.5	R401 S405	R401-N403 PolarHBondContact O-N 2.93Å; N403-S405 PolarHBondContact O-N 2.84Å
404	R	48.5	Very low	56.5	Low	162 Å²	162	141.5 Å²	141.5	61%	0.611	69%	0.689	S	S	*	*			trans	-58.3	124.4	154.6	-71.4	169.7	174.4	-112.3	0.5	104	M402 E408	M402-R404 PolarHBondContact O-N 2.98Å; R404-E408 HydrophobicContact CB-CB 4.44Å; R404-E408 WeakPolarHBondContact CD-OE2 3.49Å; R404-E408 VanDerWaalsContact CG-OE2 3.27Å; R404-E408 WeakPolarHBondContact CG-OE2 3.45Å; R404-E408 IonicContact CZ-OE2 3.66Å; R404-E408 IonicContact NE-OE2 2.85Å; R404-E408 VanDerWaalsContact NH1-CD 3.25Å; R404-E408 IonicContact NH1-OE1 2.77Å; R404-E408 PolarHBondContact NH1-OE1 2.76Å; R404-E408 IonicContact NH1-OE2 3.02Å; R404-E408 PolarHBondContact NH1-OE2 3.47Å
405	S	50.5	Low	57.7	Low	71 Å²	71	150.8 Å²	150.8	50%	0.497	71%	0.709	S	S	.	*			trans	-49.7	146.9	177.2	49.3	0	0	0	0	109.3	N403 D407 E408	N403-S405 PolarHBondContact O-N 2.84Å; S405-D407 WeakPolarHBondContact CB-OD2 3.5Å; S405-D407 PolarHBondContact O-N 3.36Å; S405-E408 PolarHBondContact O-N 3.17Å
406	N	54.4	Low	59.2	Low	124 Å²	124	149.3 Å²	149.3	66%	0.663	70%	0.698	S	S	*	*	H	α-helix	trans	-53.6	-28	-171.1	-134.7	1.8	0	0	0	111.8	E408 L409 N410	N406-E408 PolarHBondContact O-N 3.42Å; N406-L409 PolarHBondContact O-N 2.93Å; N406-N410 PolarHBondContact O-ND2 2.99Å
407	D	57.5	Low	60.9	Low	111 Å²	111	145.4 Å²	145.4	59%	0.594	70%	0.7	S	S	*	*	H	α-helix	trans	-59.9	-36.6	177.4	-39.2	-59.3	0	0	0	113.7	S405 L409 N410	S405-D407 WeakPolarHBondContact CB-OD2 3.5Å; S405-D407 PolarHBondContact O-N 3.36Å; D407-L409 VanDerWaalsContact C-N 3.31Å; D407-L409 PolarHBondContact O-N 3.23Å; D407-N410 PolarHBondContact O-N 3.01Å
408	E	57.2	Low	62.8	Low	81 Å²	81	140.8 Å²	140.8	38%	0.379	67%	0.674	S	S	.	*	H	α-helix	trans	-78.8	-15.1	-177.3	-148.1	-157.7	-168.4	0	0	112.9	R404 S405 N406 L411	R404-E408 HydrophobicContact CB-CB 4.44Å; R404-E408 WeakPolarHBondContact CD-OE2 3.49Å; R404-E408 VanDerWaalsContact CG-OE2 3.27Å; R404-E408 WeakPolarHBondContact CG-OE2 3.45Å; R404-E408 IonicContact CZ-OE2 3.66Å; R404-E408 IonicContact NE-OE2 2.85Å; R404-E408 VanDerWaalsContact NH1-CD 3.25Å; R404-E408 IonicContact NH1-OE1 2.77Å; R404-E408 PolarHBondContact NH1-OE1 2.76Å; R404-E408 IonicContact NH1-OE2 3.02Å; R404-E408 PolarHBondContact NH1-OE2 3.47Å; S405-E408 PolarHBondContact O-N 3.17Å; N406-E408 PolarHBondContact O-N 3.42Å; E408-L411 HydrophobicContact CG-CD1 4.08Å
409	L	57.5	Low	64.7	Low	88 Å²	88	133 Å²	133	46%	0.461	65%	0.653	S	S	.	*	H	α-helix	trans	-78.9	-30	171.3	-67.8	177	0	0	0	111.9	N406 D407 L411	N406-L409 PolarHBondContact O-N 2.93Å; D407-L409 VanDerWaalsContact C-N 3.31Å; D407-L409 PolarHBondContact O-N 3.23Å; L409-L411 VanDerWaalsContact C-N 3.31Å; L409-L411 PolarHBondContact O-N 3.36Å
410	N	53.8	Low	66.5	Low	126 Å²	126	129.8 Å²	129.8	67%	0.674	65%	0.649	S	S	*	*	H	α-helix	trans	-76.4	-14	-179.6	-67.1	-32.1	0	0	0	113.9	N406 D407 K412	N406-N410 PolarHBondContact O-ND2 2.99Å; D407-N410 PolarHBondContact O-N 3.01Å; N410-K412 PolarHBondContact O-N 3.46Å
411	L	61.1	Low	68.6	Low	145 Å²	145	129.4 Å²	129.4	76%	0.759	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-6.4	174.7	-67.7	171.2	0	0	0	114.1	E408 L409	E408-L411 HydrophobicContact CG-CD1 4.08Å; L409-L411 VanDerWaalsContact C-N 3.31Å; L409-L411 PolarHBondContact O-N 3.36Å
412	K	63.8	Low	70.7	Confident	138 Å²	138	119.3 Å²	119.3	60%	0.6	61%	0.609	S	S	*	*	S	Bend	trans	-88.2	126.1	174.1	-66.8	166	-171.7	166.9	0	108.3	N410 P414	N410-K412 PolarHBondContact O-N 3.46Å; K412-P414 VanDerWaalsContact O-N 3.16Å
413	R	67.4	Low	72.7	Confident	219 Å²	219	115 Å²	115	83%	0.826	59%	0.59	S	S	*	*			trans	-43.4	122.1	-179.8	-165.8	178	-161	153.7	9.7	109.8	R415	R413-R415 PolarHBondContact O-N 3.48Å
414	P	75.5	Confident	75.1	Confident	107 Å²	107	113.8 Å²	113.8	70%	0.695	58%	0.576	S	S	*	*			trans	-57.8	133.6	-171.8	21	-32.8	0	0	0	110.2	K412 T416	K412-P414 VanDerWaalsContact O-N 3.16Å; P414-T416 PolarHBondContact O-N 3.3Å
415	R	79.2	Confident	77.5	Confident	244 Å²	244	108.7 Å²	108.7	92%	0.921	56%	0.557	S	S	*	*			trans	-75.6	97.2	-179.7	-176.9	178.7	179.7	170.2	-2	108.9	R413 S417	R413-R415 PolarHBondContact O-N 3.48Å; R415-S417 PolarHBondContact O-N 3.11Å
416	T	82.7	Confident	79.7	Confident	94 Å²	94	105.3 Å²	105.3	58%	0.577	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-68.7	122.4	173.6	58.2	0	0	0	0	110.4	P414	P414-T416 PolarHBondContact O-N 3.3Å
417	S	90	Very high	81.8	Confident	110 Å²	110	100.8 Å²	100.8	77%	0.769	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-84.6	142.8	163.3	44.3	0	0	0	0	110.3	R415	R415-S417 PolarHBondContact O-N 3.11Å
418	F	95	Very high	83.7	Confident	51 Å²	51	99.4 Å²	99.4	22%	0.224	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-79.8	149.6	165.3	-58.5	-60.8	0	0	0	109.5	Q422 L423 L450 Q454 W458	F418-Q422 HydrophobicContact CB-CB 4.28Å; F418-L423 HydrophobicContact CB-CD2 3.91Å; F418-L423 HydrophobicContact CB-CG 3.96Å; F418-L423 HydrophobicContact CD2-CD2 4.16Å; F418-L423 HydrophobicContact CG-CD2 4.46Å; F418-L450 HydrophobicContact CD1-CD1 3.77Å; F418-L450 HydrophobicContact CD1-CD2 3.8Å; F418-L450 HydrophobicContact CD1-CG 4.47Å; F418-L450 HydrophobicContact CE1-CD1 3.73Å; F418-L450 HydrophobicContact CE1-CD2 3.78Å; F418-L450 HydrophobicContact CE1-CG 4.39Å; F418-Q454 HydrophobicContact CE1-CB 4.06Å; F418-Q454 HydrophobicContact CZ-CB 4.05Å; F418-W458 AromaticContact CD2-CD1 3.8Å; F418-W458 HydrophobicContact CE2-CB 4.34Å; F418-W458 AromaticContact CE2-CD1 3.66Å; F418-W458 HydrophobicContact CE2-CG 4.38Å
419	T	96.5	Very high	85.6	Confident	72 Å²	72	95.7 Å²	95.7	44%	0.442	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-74	159.6	175.5	66.9	0	0	0	0	111	Q422 L423	T419-Q422 WeakPolarHBondContact O-CB 3.3Å; T419-Q422 PolarHBondContact O-N 3.02Å; T419-Q422 VanDerWaalsContact OG1-CG 3.26Å; T419-Q422 WeakPolarHBondContact OG1-CG 3.3Å; T419-Q422 PolarHBondContact OG1-N 2.92Å; T419-Q422 PolarHBondContact OG1-OE1 3.32Å; T419-L423 WeakPolarHBondContact O-CG 3.3Å; T419-L423 PolarHBondContact O-N 3.28Å
420	V	96.7	Very high	87.5	Confident	119 Å²	119	92 Å²	92	72%	0.721	46%	0.464	S	S	*	.	H	α-helix	trans	-54.2	-48	175.7	-177.5	0	0	0	0	112.8	Q422 L423 K424	V420-Q422 PolarHBondContact O-N 3.49Å; V420-L423 PolarHBondContact O-N 3.31Å; V420-K424 PolarHBondContact O-N 3.48Å
421	P	97.2	Very high	89.5	Confident	90 Å²	90	92.6 Å²	92.6	58%	0.584	46%	0.463	S	S	*	.	H	α-helix	trans	-63.4	-38.2	176.5	22	-32.8	0	0	0	113.4	L423 K424 R425	P421-L423 VanDerWaalsContact C-N 3.34Å; P421-L423 PolarHBondContact O-N 2.98Å; P421-K424 PolarHBondContact O-N 3.01Å; P421-R425 PolarHBondContact O-N 3.48Å
422	Q	97.8	Very high	91.2	Very high	29 Å²	29	93.2 Å²	93.2	14%	0.136	46%	0.459	C	S	.	.	H	α-helix	trans	-58.5	-45.9	172.8	-74.4	170.1	-17.5	0	0	111.1	F418 T419 V420 K424 L426 L448	F418-Q422 HydrophobicContact CB-CB 4.28Å; T419-Q422 WeakPolarHBondContact O-CB 3.3Å; T419-Q422 PolarHBondContact O-N 3.02Å; T419-Q422 VanDerWaalsContact OG1-CG 3.26Å; T419-Q422 WeakPolarHBondContact OG1-CG 3.3Å; T419-Q422 PolarHBondContact OG1-N 2.92Å; T419-Q422 PolarHBondContact OG1-OE1 3.32Å; V420-Q422 PolarHBondContact O-N 3.49Å; Q422-K424 PolarHBondContact O-N 2.86Å; Q422-L426 VanDerWaalsContact O-CB 3.32Å; Q422-L426 WeakPolarHBondContact O-CB 3.46Å; Q422-L426 WeakPolarHBondContact O-CD1 3.37Å; Q422-L426 WeakPolarHBondContact O-CG 3.49Å; Q422-L426 PolarHBondContact O-N 2.95Å; Q422-L448 HydrophobicContact CG-CB 4.37Å; Q422-L448 HydrophobicContact CG-CD2 4.21Å; Q422-L448 PolarHBondContact NE2-O 2.88Å
423	L	97.4	Very high	92.7	Very high	67 Å²	67	90.1 Å²	90.1	35%	0.351	45%	0.449	S	S	.	.	H	α-helix	trans	-64.8	-36.5	178.2	-69.4	173.5	0	0	0	113.1	F418 T419 V420 P421 S427	F418-L423 HydrophobicContact CB-CD2 3.91Å; F418-L423 HydrophobicContact CB-CG 3.96Å; F418-L423 HydrophobicContact CD2-CD2 4.16Å; F418-L423 HydrophobicContact CG-CD2 4.46Å; T419-L423 WeakPolarHBondContact O-CG 3.3Å; T419-L423 PolarHBondContact O-N 3.28Å; V420-L423 PolarHBondContact O-N 3.31Å; P421-L423 VanDerWaalsContact C-N 3.34Å; P421-L423 PolarHBondContact O-N 2.98Å; L423-S427 WeakPolarHBondContact O-CB 3.46Å; L423-S427 PolarHBondContact O-N 3.24Å; L423-S427 PolarHBondContact O-OG 2.86Å
424	K	97.6	Very high	94	Very high	141 Å²	141	85.2 Å²	85.2	61%	0.613	43%	0.431	S	S	*	.	H	α-helix	trans	-63.8	-52.9	175.9	-173.4	174.3	-178.4	175.9	0	110.9	V420 P421 Q422 L426 S427 Q428	V420-K424 PolarHBondContact O-N 3.48Å; P421-K424 PolarHBondContact O-N 3.01Å; Q422-K424 PolarHBondContact O-N 2.86Å; K424-L426 PolarHBondContact O-N 3.11Å; K424-S427 PolarHBondContact O-N 3.35Å; K424-S427 VanDerWaalsContact O-N 3.14Å; K424-Q428 WeakPolarHBondContact O-CG 3.15Å; K424-Q428 PolarHBondContact O-N 2.95Å
425	R	97.7	Very high	95	Very high	56 Å²	56	87 Å²	87	21%	0.211	43%	0.425	C	S	.	.	H	α-helix	trans	-63	-41.1	179.2	-177.9	70.1	-176	100.7	4.5	112.3	P421 S427 E429 L444 E447 L448	P421-R425 PolarHBondContact O-N 3.48Å; R425-S427 VanDerWaalsContact C-N 3.3Å; R425-S427 PolarHBondContact O-N 2.94Å; R425-E429 IonicContact CZ-OE2 2.82Å; R425-E429 IonicContact NH1-OE2 2.81Å; R425-E429 PolarHBondContact NH1-OE2 3.07Å; R425-E429 IonicContact NH2-OE2 3.2Å; R425-E429 PolarHBondContact NH2-OE2 2.66Å; R425-E429 VanDerWaalsContact O-CB 3.28Å; R425-E429 WeakPolarHBondContact O-CB 3.35Å; R425-E429 PolarHBondContact O-N 3.24Å; R425-L444 HydrophobicContact CG-CD1 4.11Å; R425-E447 IonicContact CZ-OE2 2.8Å; R425-E447 VanDerWaalsContact CZ-OE2 3.22Å; R425-E447 IonicContact NE-OE2 3.87Å; R425-E447 PolarHBondContact NE-OE2 3.32Å; R425-E447 IonicContact NH2-OE1 3.68Å; R425-E447 IonicContact NH2-OE2 3.24Å; R425-E447 PolarHBondContact NH2-OE2 2.95Å; R425-L448 HydrophobicContact CB-CD2 3.88Å; R425-L448 HydrophobicContact CG-CD1 4.36Å; R425-L448 HydrophobicContact CG-CD2 3.86Å; R425-L448 HydrophobicContact CG-CG 4.39Å
426	L	98.2	Very high	95.7	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-61.5	-36.4	173.9	-74	166.5	0	0	0	112.4	Q422 K424 F430 L444 L448 L450 V455 W458 F459	Q422-L426 VanDerWaalsContact O-CB 3.32Å; Q422-L426 WeakPolarHBondContact O-CB 3.46Å; Q422-L426 WeakPolarHBondContact O-CD1 3.37Å; Q422-L426 WeakPolarHBondContact O-CG 3.49Å; Q422-L426 PolarHBondContact O-N 2.95Å; K424-L426 PolarHBondContact O-N 3.11Å; L426-F430 WeakPolarHBondContact O-CB 3.28Å; L426-F430 PolarHBondContact O-N 3.43Å; L426-L444 HydrophobicContact CD2-CD2 3.82Å; L426-L444 HydrophobicContact CD2-CG 4.43Å; L426-L448 HydrophobicContact CD1-CD1 4.37Å; L426-L448 HydrophobicContact CD2-CD1 3.81Å; L426-L448 HydrophobicContact CG-CD1 3.68Å; L426-L450 HydrophobicContact CD1-CD1 4.32Å; L426-V455 HydrophobicContact CD2-CG1 4.34Å; L426-W458 VanDerWaalsContact C-CH2 3.45Å; L426-W458 HydrophobicContact CB-CD2 4.02Å; L426-W458 HydrophobicContact CB-CE3 4.06Å; L426-W458 HydrophobicContact CB-CH2 3.74Å; L426-W458 HydrophobicContact CB-CZ2 3.65Å; L426-W458 HydrophobicContact CB-CZ3 3.93Å; L426-W458 HydrophobicContact CD1-CD2 4Å; L426-W458 HydrophobicContact CD1-CG 3.95Å; L426-W458 HydrophobicContact CD2-CD2 4.37Å; L426-W458 HydrophobicContact CD2-CE3 4.26Å; L426-W458 HydrophobicContact CG-CD2 4.36Å; L426-W458 VanDerWaalsContact O-CH2 3.25Å; L426-W458 WeakPolarHBondContact O-CH2 3.49Å; L426-W458 WeakPolarHBondContact O-CZ3 3.31Å; L426-F459 HydrophobicContact CD2-CE2 4Å
427	S	97.3	Very high	96.3	Very high	28 Å²	28	77.2 Å²	77.2	20%	0.196	39%	0.387	C	S	.	.	H	α-helix	trans	-72.8	-47.7	178.8	-59	0	0	0	0	112.2	L423 K424 R425 E429 F430 E431	L423-S427 WeakPolarHBondContact O-CB 3.46Å; L423-S427 PolarHBondContact O-N 3.24Å; L423-S427 PolarHBondContact O-OG 2.86Å; K424-S427 PolarHBondContact O-N 3.35Å; K424-S427 VanDerWaalsContact O-N 3.14Å; R425-S427 VanDerWaalsContact C-N 3.3Å; R425-S427 PolarHBondContact O-N 2.94Å; S427-E429 PolarHBondContact O-N 3.43Å; S427-F430 WeakPolarHBondContact O-CB 3.39Å; S427-F430 PolarHBondContact O-N 2.77Å; S427-E431 VanDerWaalsContact O-CD 3.31Å; S427-E431 PolarHBondContact O-N 2.87Å
428	Q	97.4	Very high	96.6	Very high	82 Å²	82	77.3 Å²	77.3	38%	0.383	38%	0.375	S	S	.	.	H	α-helix	trans	-54.6	-39	171.9	-70	172.4	-27	0	0	112.1	K424 K432	K424-Q428 WeakPolarHBondContact O-CG 3.15Å; K424-Q428 PolarHBondContact O-N 2.95Å; Q428-K432 WeakPolarHBondContact O-CG 3.37Å; Q428-K432 PolarHBondContact O-N 3.18Å
429	E	97.6	Very high	96.7	Very high	3 Å²	3	82.1 Å²	82.1	1%	0.014	40%	0.403	C	S	.	.	H	α-helix	trans	-70.8	-37.3	178.4	-166.9	60.7	-146.9	0	0	112.4	R425 S427 K432 N433 L436 R440 L444 F459	R425-E429 IonicContact CZ-OE2 2.82Å; R425-E429 IonicContact NH1-OE2 2.81Å; R425-E429 PolarHBondContact NH1-OE2 3.07Å; R425-E429 IonicContact NH2-OE2 3.2Å; R425-E429 PolarHBondContact NH2-OE2 2.66Å; R425-E429 VanDerWaalsContact O-CB 3.28Å; R425-E429 WeakPolarHBondContact O-CB 3.35Å; R425-E429 PolarHBondContact O-N 3.24Å; S427-E429 PolarHBondContact O-N 3.43Å; E429-K432 PolarHBondContact O-N 2.98Å; E429-N433 PolarHBondContact O-N 2.98Å; E429-L436 HydrophobicContact CG-CD2 4.25Å; E429-R440 IonicContact OE1-CZ 2.62Å; E429-R440 IonicContact OE1-NE 3.59Å; E429-R440 PolarHBondContact OE1-NE 3.27Å; E429-R440 IonicContact OE1-NH2 3.59Å; E429-R440 PolarHBondContact OE1-NH2 3.1Å; E429-R440 IonicContact OE2-CZ 3.84Å; E429-R440 IonicContact OE2-NE 2.66Å; E429-R440 IonicContact OE2-NH2 2.6Å; E429-R440 PolarHBondContact OE2-NH2 3.14Å; E429-L444 HydrophobicContact CB-CD1 4.25Å; E429-L444 HydrophobicContact CB-CD2 4.19Å; E429-L444 HydrophobicContact CG-CD1 4Å; E429-L444 HydrophobicContact CG-CD2 3.7Å; E429-L444 HydrophobicContact CG-CG 4.46Å; E429-F459 HydrophobicContact CB-CZ 4.21Å; E429-F459 HydrophobicContact CG-CZ 4.09Å
430	F	97.5	Very high	96.8	Very high	11 Å²	11	83.1 Å²	83.1	5%	0.048	40%	0.398	C	S	.	.	H	α-helix	trans	-68.5	-33.4	175.6	-176.3	-92.2	0	0	0	113.7	L426 S427 N433 R434 W458 F459 K462 R463	L426-F430 WeakPolarHBondContact O-CB 3.28Å; L426-F430 PolarHBondContact O-N 3.43Å; S427-F430 WeakPolarHBondContact O-CB 3.39Å; S427-F430 PolarHBondContact O-N 2.77Å; F430-N433 CarbonylContact O-C 3.46Å; F430-R434 HydrophobicContact CD1-CG 4.33Å; F430-R434 HydrophobicContact CE1-CG 3.95Å; F430-R434 HydrophobicContact CE2-CB 4.15Å; F430-R434 HydrophobicContact CE2-CG 4.29Å; F430-R434 HydrophobicContact CZ-CB 4.18Å; F430-R434 HydrophobicContact CZ-CG 3.93Å; F430-R434 WeakPolarHBondContact O-CG 3.4Å; F430-R434 PolarHBondContact O-N 3.39Å; F430-W458 HydrophobicContact CB-CH2 4.06Å; F430-W458 HydrophobicContact CB-CZ3 3.92Å; F430-W458 HydrophobicContact CD2-CZ3 4.19Å; F430-W458 HydrophobicContact CG-CZ3 4.31Å; F430-F459 HydrophobicContact CB-CE1 4.01Å; F430-F459 HydrophobicContact CB-CZ 4.15Å; F430-F459 AromaticContact CD2-CD1 3.74Å; F430-F459 HydrophobicContact CD2-CD1 3.74Å; F430-F459 AromaticContact CD2-CE1 3.74Å; F430-F459 HydrophobicContact CD2-CE1 3.74Å; F430-F459 HydrophobicContact CE2-CD1 4.43Å; F430-F459 HydrophobicContact CG-CE1 4.36Å; F430-K462 HydrophobicContact CD1-CD 4.28Å; F430-K462 VanDerWaalsContact CD1-CE 3.49Å; F430-K462 HydrophobicContact CD1-CG 3.69Å; F430-K462 HydrophobicContact CD2-CB 4.05Å; F430-K462 HydrophobicContact CD2-CG 3.52Å; F430-K462 HydrophobicContact CE1-CD 4.37Å; F430-K462 HydrophobicContact CE1-CG 3.62Å; F430-K462 HydrophobicContact CE2-CB 3.85Å; F430-K462 HydrophobicContact CE2-CG 3.44Å; F430-K462 VanDerWaalsContact CE2-CG 3.44Å; F430-K462 HydrophobicContact CG-CD 4.47Å; F430-K462 HydrophobicContact CG-CG 3.64Å; F430-K462 HydrophobicContact CZ-CB 4.25Å; F430-K462 HydrophobicContact CZ-CG 3.49Å; F430-K462 VanDerWaalsContact CZ-CG 3.49Å; F430-R463 HydrophobicContact CE2-CG 3.69Å; F430-R463 HydrophobicContact CZ-CG 4.06Å
431	E	96.2	Very high	96.8	Very high	138 Å²	138	80.1 Å²	80.1	65%	0.645	37%	0.374	S	S	*	.	H	α-helix	trans	-66.9	-39.1	173.7	-75.9	145.5	-151.8	0	0	111	S427	S427-E431 VanDerWaalsContact O-CD 3.31Å; S427-E431 PolarHBondContact O-N 2.87Å
432	K	96	Very high	96.9	Very high	159 Å²	159	80.1 Å²	80.1	69%	0.691	37%	0.365	S	S	*	.	H	α-helix	trans	-69	-45.8	173.4	-69.2	178.3	-176.7	-168.5	0	112.9	Q428 E429	Q428-K432 WeakPolarHBondContact O-CG 3.37Å; Q428-K432 PolarHBondContact O-N 3.18Å; E429-K432 PolarHBondContact O-N 2.98Å
433	N	95.1	Very high	96.9	Very high	73 Å²	73	84.4 Å²	84.4	39%	0.39	38%	0.383	S	S	.	.			trans	-148.7	123	174.8	-170.2	-11	0	0	0	111.6	E429 F430 Y435 F459	E429-N433 PolarHBondContact O-N 2.98Å; F430-N433 CarbonylContact O-C 3.46Å; N433-Y435 PolarHBondContact ND2-O 2.79Å; N433-Y435 VanDerWaalsContact ND2-O 3.07Å; N433-Y435 PolarHBondContact O-N 2.82Å; N433-Y435 PolarHBondContact OD1-N 3.27Å; N433-Y435 PolarHBondContact OD1-O 2.83Å; N433-F459 WeakPolarHBondContact O-CE1 3.33Å
434	R	95.1	Very high	96.9	Very high	116 Å²	116	81.2 Å²	81.2	44%	0.438	37%	0.366	S	S	.	.	S	Bend	trans	-75	-10.3	-178.2	-63.4	176.2	64.7	169	-5.2	113.3	F430 R463 T466	F430-R434 HydrophobicContact CD1-CG 4.33Å; F430-R434 HydrophobicContact CE1-CG 3.95Å; F430-R434 HydrophobicContact CE2-CB 4.15Å; F430-R434 HydrophobicContact CE2-CG 4.29Å; F430-R434 HydrophobicContact CZ-CB 4.18Å; F430-R434 HydrophobicContact CZ-CG 3.93Å; F430-R434 WeakPolarHBondContact O-CG 3.4Å; F430-R434 PolarHBondContact O-N 3.39Å; R434-R463 WeakPolarHBondContact O-CD 3.3Å; R434-R463 PolarHBondContact O-NH1 3.41Å; R434-T466 VanDerWaalsContact NH2-CG2 3.31Å
435	Y	97	Very high	96.9	Very high	145 Å²	145	74.8 Å²	74.8	57%	0.569	34%	0.339	S	S	*	.	S	Bend	trans	-126.7	139.5	177.5	-63.5	-90	0	0	0	109.9	N433 R463	N433-Y435 PolarHBondContact ND2-O 2.79Å; N433-Y435 VanDerWaalsContact ND2-O 3.07Å; N433-Y435 PolarHBondContact O-N 2.82Å; N433-Y435 PolarHBondContact OD1-N 3.27Å; N433-Y435 PolarHBondContact OD1-O 2.83Å; Y435-R463 VanDerWaalsContact CE1-NE 3.27Å; Y435-R463 VanDerWaalsContact CZ-CD 3.5Å
436	L	94.9	Very high	96.9	Very high	21 Å²	21	77.1 Å²	77.1	11%	0.11	36%	0.36	C	S	.	.			trans	-112.9	119.1	-178.6	-71.1	-175.9	0	0	0	112	E429 R440 R441 L444 V455 F459	E429-L436 HydrophobicContact CG-CD2 4.25Å; L436-R440 HydrophobicContact CD2-CB 4.36Å; L436-R440 HydrophobicContact CD2-CG 3.84Å; L436-R441 HydrophobicContact CB-CB 4.31Å; L436-R441 HydrophobicContact CD1-CB 4.41Å; L436-R441 PolarHBondContact O-NH2 2.79Å; L436-L444 HydrophobicContact CD1-CD2 3.91Å; L436-V455 HydrophobicContact CD1-CG1 3.57Å; L436-F459 HydrophobicContact CD1-CD1 4.1Å; L436-F459 HydrophobicContact CD1-CD2 3.53Å; L436-F459 HydrophobicContact CD1-CE1 3.95Å; L436-F459 HydrophobicContact CD1-CE2 3.4Å; L436-F459 VanDerWaalsContact CD1-CE2 3.4Å; L436-F459 HydrophobicContact CD1-CG 3.91Å; L436-F459 HydrophobicContact CD1-CZ 3.63Å; L436-F459 HydrophobicContact CD2-CE1 3.93Å; L436-F459 HydrophobicContact CD2-CZ 3.93Å; L436-F459 HydrophobicContact CG-CD1 3.77Å; L436-F459 HydrophobicContact CG-CD2 4.15Å; L436-F459 HydrophobicContact CG-CE1 3.58Å; L436-F459 HydrophobicContact CG-CE2 4.02Å; L436-F459 HydrophobicContact CG-CG 4.06Å; L436-F459 HydrophobicContact CG-CZ 3.73Å
437	D	95.2	Very high	96.9	Very high	111 Å²	111	81 Å²	81	59%	0.594	38%	0.378	S	S	*	.			trans	-60.1	161.3	164	-51.8	-36.5	0	0	0	111	R440 R441	D437-R440 PolarHBondContact O-N 3.33Å; D437-R441 VanDerWaalsContact O-CB 3.26Å; D437-R441 WeakPolarHBondContact O-CB 3.38Å; D437-R441 PolarHBondContact O-N 3.06Å
438	E	96.5	Very high	96.8	Very high	112 Å²	112	80.5 Å²	80.5	52%	0.523	37%	0.373	S	S	.	.	H	α-helix	trans	-62.2	-46.3	-177.6	-171.1	175.6	160.7	0	0	112.6	R440 R441 K442	E438-R440 PolarHBondContact O-N 2.82Å; E438-R441 PolarHBondContact O-N 2.87Å; E438-K442 HydrophobicContact CG-CD 4.32Å; E438-K442 WeakPolarHBondContact O-CG 3.43Å; E438-K442 PolarHBondContact O-N 3.45Å; E438-K442 VanDerWaalsContact OE1-CE 3.31Å; E438-K442 WeakPolarHBondContact OE1-CE 3.48Å; E438-K442 IonicContact OE1-NZ 2.74Å; E438-K442 PolarHBondContact OE1-NZ 2.81Å
439	L	97	Very high	96.8	Very high	152 Å²	152	83.9 Å²	83.9	80%	0.796	39%	0.394	S	S	*	.	H	α-helix	trans	-59.3	-47.1	178.4	-170.3	99	0	0	0	111.6	R441 K442 K443	L439-R441 PolarHBondContact O-N 3.47Å; L439-K442 PolarHBondContact O-N 3.48Å; L439-K443 PolarHBondContact O-N 2.98Å
440	R	97.2	Very high	96.8	Very high	92 Å²	92	84.7 Å²	84.7	35%	0.347	40%	0.398	S	S	.	.	H	α-helix	trans	-68.2	-36.5	-179.2	-169.5	57.5	167.5	-123.9	-0	111.9	E429 L436 D437 E438 K443 L444	E429-R440 IonicContact OE1-CZ 2.62Å; E429-R440 IonicContact OE1-NE 3.59Å; E429-R440 PolarHBondContact OE1-NE 3.27Å; E429-R440 IonicContact OE1-NH2 3.59Å; E429-R440 PolarHBondContact OE1-NH2 3.1Å; E429-R440 IonicContact OE2-CZ 3.84Å; E429-R440 IonicContact OE2-NE 2.66Å; E429-R440 IonicContact OE2-NH2 2.6Å; E429-R440 PolarHBondContact OE2-NH2 3.14Å; L436-R440 HydrophobicContact CD2-CB 4.36Å; L436-R440 HydrophobicContact CD2-CG 3.84Å; D437-R440 PolarHBondContact O-N 3.33Å; E438-R440 PolarHBondContact O-N 2.82Å; R440-K443 PolarHBondContact O-N 3.19Å; R440-L444 VanDerWaalsContact O-CB 3.28Å; R440-L444 WeakPolarHBondContact O-CB 3.04Å; R440-L444 PolarHBondContact O-N 3.06Å
441	R	98.1	Very high	96.7	Very high	56 Å²	56	90.7 Å²	90.7	21%	0.211	42%	0.42	C	S	.	.	H	α-helix	trans	-62.9	-43.6	173.8	-170.3	-168.7	-49.5	136.2	11.6	112	L436 D437 E438 L439 A445 E452 V455	L436-R441 HydrophobicContact CB-CB 4.31Å; L436-R441 HydrophobicContact CD1-CB 4.41Å; L436-R441 PolarHBondContact O-NH2 2.79Å; D437-R441 VanDerWaalsContact O-CB 3.26Å; D437-R441 WeakPolarHBondContact O-CB 3.38Å; D437-R441 PolarHBondContact O-N 3.06Å; E438-R441 PolarHBondContact O-N 2.87Å; L439-R441 PolarHBondContact O-N 3.47Å; R441-A445 WeakPolarHBondContact O-CB 3.29Å; R441-A445 PolarHBondContact O-N 3.27Å; R441-E452 HydrophobicContact CG-CB 4.33Å; R441-E452 HydrophobicContact CG-CG 4.46Å; R441-V455 HydrophobicContact CG-CB 4.39Å; R441-V455 HydrophobicContact CG-CG1 4.15Å
442	K	98	Very high	96.8	Very high	90 Å²	90	87.5 Å²	87.5	39%	0.391	41%	0.406	S	S	.	.	H	α-helix	trans	-60.9	-50.7	174.9	-76.2	175.1	-175.4	175.6	0	111.3	E438 L439 L444 A445 T446 E452	E438-K442 HydrophobicContact CG-CD 4.32Å; E438-K442 WeakPolarHBondContact O-CG 3.43Å; E438-K442 PolarHBondContact O-N 3.45Å; E438-K442 VanDerWaalsContact OE1-CE 3.31Å; E438-K442 WeakPolarHBondContact OE1-CE 3.48Å; E438-K442 IonicContact OE1-NZ 2.74Å; E438-K442 PolarHBondContact OE1-NZ 2.81Å; L439-K442 PolarHBondContact O-N 3.48Å; K442-L444 PolarHBondContact O-N 3.17Å; K442-A445 WeakPolarHBondContact O-CB 3.45Å; K442-A445 PolarHBondContact O-N 3.37Å; K442-T446 PolarHBondContact O-N 2.99Å; K442-T446 PolarHBondContact O-OG1 3.39Å; K442-E452 VanDerWaalsContact CE-OE1 3.29Å; K442-E452 WeakPolarHBondContact CE-OE1 3.41Å; K442-E452 HydrophobicContact CG-CG 4.16Å; K442-E452 WeakPolarHBondContact CG-OE1 3.33Å; K442-E452 WeakPolarHBondContact CG-OE2 3.16Å
443	K	97.8	Very high	96.8	Very high	120 Å²	120	82.2 Å²	82.2	52%	0.522	39%	0.389	S	S	.	.	H	α-helix	trans	-59.2	-45.7	177.8	-170	178.8	179.5	177.7	0	112.5	L439 R440 A445 T446 E447	L439-K443 PolarHBondContact O-N 2.98Å; R440-K443 PolarHBondContact O-N 3.19Å; K443-A445 VanDerWaalsContact C-N 3.33Å; K443-A445 PolarHBondContact O-N 3.3Å; K443-T446 WeakPolarHBondContact CA-OG1 3.05Å; K443-T446 PolarHBondContact O-N 2.82Å; K443-T446 PolarHBondContact O-OG1 2.62Å; K443-E447 WeakPolarHBondContact CE-OE1 3.43Å; K443-E447 WeakPolarHBondContact CG-OE1 3.41Å; K443-E447 WeakPolarHBondContact O-CB 3.39Å; K443-E447 WeakPolarHBondContact O-CG 3.32Å; K443-E447 PolarHBondContact O-N 3.28Å
444	L	97.7	Very high	96.9	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-68.7	-31.1	179	-168.1	70.2	0	0	0	112.9	R425 L426 E429 L436 R440 K442 L448 V455 F459	R425-L444 HydrophobicContact CG-CD1 4.11Å; L426-L444 HydrophobicContact CD2-CD2 3.82Å; L426-L444 HydrophobicContact CD2-CG 4.43Å; E429-L444 HydrophobicContact CB-CD1 4.25Å; E429-L444 HydrophobicContact CB-CD2 4.19Å; E429-L444 HydrophobicContact CG-CD1 4Å; E429-L444 HydrophobicContact CG-CD2 3.7Å; E429-L444 HydrophobicContact CG-CG 4.46Å; L436-L444 HydrophobicContact CD1-CD2 3.91Å; R440-L444 VanDerWaalsContact O-CB 3.28Å; R440-L444 WeakPolarHBondContact O-CB 3.04Å; R440-L444 PolarHBondContact O-N 3.06Å; K442-L444 PolarHBondContact O-N 3.17Å; L444-L448 HydrophobicContact CD1-CD1 4.15Å; L444-L448 HydrophobicContact CG-CD1 4.08Å; L444-L448 WeakPolarHBondContact O-CB 3.44Å; L444-L448 WeakPolarHBondContact O-CG 3.49Å; L444-L448 PolarHBondContact O-N 3.45Å; L444-V455 HydrophobicContact CD2-CG1 3.84Å; L444-F459 HydrophobicContact CD2-CE2 3.88Å; L444-F459 HydrophobicContact CD2-CZ 4.32Å
445	A	97.9	Very high	97	Very high	6 Å²	6	74.8 Å²	74.8	5%	0.05	36%	0.357	C	S	.	.	H	α-helix	trans	-65.3	-45.2	173.1	0	0	0	0	0	111.1	R441 K442 K443 L448 D449 L450 E452 V455	R441-A445 WeakPolarHBondContact O-CB 3.29Å; R441-A445 PolarHBondContact O-N 3.27Å; K442-A445 WeakPolarHBondContact O-CB 3.45Å; K442-A445 PolarHBondContact O-N 3.37Å; K443-A445 VanDerWaalsContact C-N 3.33Å; K443-A445 PolarHBondContact O-N 3.3Å; A445-L448 PolarHBondContact O-N 3.46Å; A445-D449 PolarHBondContact O-N 3.42Å; A445-L450 CarbonylContact C-O 3.58Å; A445-L450 VanDerWaalsContact CB-O 3.29Å; A445-L450 WeakPolarHBondContact CB-O 3.39Å; A445-L450 PolarHBondContact O-N 3.03Å; A445-E452 HydrophobicContact CB-CG 4.03Å; A445-V455 HydrophobicContact CB-CG2 4.2Å
446	T	97.6	Very high	97	Very high	105 Å²	105	73 Å²	73	64%	0.644	35%	0.352	S	S	*	.	H	α-helix	trans	-70	-34.4	175.6	50.4	0	0	0	0	113.8	K442 K443 L448	K442-T446 PolarHBondContact O-N 2.99Å; K442-T446 PolarHBondContact O-OG1 3.39Å; K443-T446 WeakPolarHBondContact CA-OG1 3.05Å; K443-T446 PolarHBondContact O-N 2.82Å; K443-T446 PolarHBondContact O-OG1 2.62Å; T446-L448 PolarHBondContact O-N 3.27Å
447	E	97.2	Very high	97	Very high	80 Å²	80	76.2 Å²	76.2	37%	0.374	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.6	175.5	-79.3	177.2	-152	0	0	113.5	R425 K443	R425-E447 IonicContact CZ-OE2 2.8Å; R425-E447 VanDerWaalsContact CZ-OE2 3.22Å; R425-E447 IonicContact NE-OE2 3.87Å; R425-E447 PolarHBondContact NE-OE2 3.32Å; R425-E447 IonicContact NH2-OE1 3.68Å; R425-E447 IonicContact NH2-OE2 3.24Å; R425-E447 PolarHBondContact NH2-OE2 2.95Å; K443-E447 WeakPolarHBondContact CE-OE1 3.43Å; K443-E447 WeakPolarHBondContact CG-OE1 3.41Å; K443-E447 WeakPolarHBondContact O-CB 3.39Å; K443-E447 WeakPolarHBondContact O-CG 3.32Å; K443-E447 PolarHBondContact O-N 3.28Å
448	L	96.8	Very high	97.1	Very high	18 Å²	18	72.3 Å²	72.3	9%	0.094	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	1	-169.3	-67.8	-176.1	0	0	0	114.9	Q422 R425 L426 L444 A445 T446 L450	Q422-L448 HydrophobicContact CG-CB 4.37Å; Q422-L448 HydrophobicContact CG-CD2 4.21Å; Q422-L448 PolarHBondContact NE2-O 2.88Å; R425-L448 HydrophobicContact CB-CD2 3.88Å; R425-L448 HydrophobicContact CG-CD1 4.36Å; R425-L448 HydrophobicContact CG-CD2 3.86Å; R425-L448 HydrophobicContact CG-CG 4.39Å; L426-L448 HydrophobicContact CD1-CD1 4.37Å; L426-L448 HydrophobicContact CD2-CD1 3.81Å; L426-L448 HydrophobicContact CG-CD1 3.68Å; L444-L448 HydrophobicContact CD1-CD1 4.15Å; L444-L448 HydrophobicContact CG-CD1 4.08Å; L444-L448 WeakPolarHBondContact O-CB 3.44Å; L444-L448 WeakPolarHBondContact O-CG 3.49Å; L444-L448 PolarHBondContact O-N 3.45Å; A445-L448 PolarHBondContact O-N 3.46Å; T446-L448 PolarHBondContact O-N 3.27Å; L448-L450 HydrophobicContact CB-CB 4.42Å; L448-L450 HydrophobicContact CB-CD1 4.07Å; L448-L450 HydrophobicContact CB-CG 3.98Å; L448-L450 HydrophobicContact CD1-CD1 4.33Å; L448-L450 PolarHBondContact O-N 3.44Å
449	D	97.2	Very high	97.2	Very high	153 Å²	153	67.2 Å²	67.2	82%	0.818	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.7	-170.1	-61.4	-47.7	0	0	0	112.9	A445	A445-D449 PolarHBondContact O-N 3.42Å
450	L	96.1	Very high	97.1	Very high	20 Å²	20	64.2 Å²	64.2	11%	0.105	30%	0.303	C	S	.	.			trans	-117	153.3	179	-65.4	-177.5	0	0	0	111.1	F418 L426 A445 L448 V455	F418-L450 HydrophobicContact CD1-CD1 3.77Å; F418-L450 HydrophobicContact CD1-CD2 3.8Å; F418-L450 HydrophobicContact CD1-CG 4.47Å; F418-L450 HydrophobicContact CE1-CD1 3.73Å; F418-L450 HydrophobicContact CE1-CD2 3.78Å; F418-L450 HydrophobicContact CE1-CG 4.39Å; L426-L450 HydrophobicContact CD1-CD1 4.32Å; A445-L450 CarbonylContact C-O 3.58Å; A445-L450 VanDerWaalsContact CB-O 3.29Å; A445-L450 WeakPolarHBondContact CB-O 3.39Å; A445-L450 PolarHBondContact O-N 3.03Å; L448-L450 HydrophobicContact CB-CB 4.42Å; L448-L450 HydrophobicContact CB-CD1 4.07Å; L448-L450 HydrophobicContact CB-CG 3.98Å; L448-L450 HydrophobicContact CD1-CD1 4.33Å; L448-L450 PolarHBondContact O-N 3.44Å; L450-V455 HydrophobicContact CB-CG2 4.18Å; L450-V455 HydrophobicContact CD1-CG2 4.46Å
451	R	96.3	Very high	97.1	Very high	137 Å²	137	64.3 Å²	64.3	52%	0.517	31%	0.311	S	S	.	.			trans	-75.4	145.7	169.3	-61.7	176.6	-62.9	126.9	6	110.4	S453 Q454 V455	R451-S453 PolarHBondContact NH1-OG 2.83Å; R451-S453 PolarHBondContact O-N 3.39Å; R451-Q454 VanDerWaalsContact N-OE1 3.17Å; R451-Q454 VanDerWaalsContact NE-OE1 3.08Å; R451-Q454 WeakPolarHBondContact O-CA 3.24Å; R451-Q454 WeakPolarHBondContact O-CB 3.45Å; R451-Q454 PolarHBondContact O-N 3.23Å; R451-V455 PolarHBondContact O-N 3.34Å
452	E	97.6	Very high	97	Very high	71 Å²	71	64.4 Å²	64.4	33%	0.332	31%	0.312	S	S	.	.	H	α-helix	trans	-50.1	-35.9	175.3	-71.6	-169.6	-116.1	0	0	113.6	R441 K442 A445 V455 K456	R441-E452 HydrophobicContact CG-CB 4.33Å; R441-E452 HydrophobicContact CG-CG 4.46Å; K442-E452 VanDerWaalsContact CE-OE1 3.29Å; K442-E452 WeakPolarHBondContact CE-OE1 3.41Å; K442-E452 HydrophobicContact CG-CG 4.16Å; K442-E452 WeakPolarHBondContact CG-OE1 3.33Å; K442-E452 WeakPolarHBondContact CG-OE2 3.16Å; A445-E452 HydrophobicContact CB-CG 4.03Å; E452-V455 PolarHBondContact O-N 2.9Å; E452-K456 WeakPolarHBondContact O-CB 3.28Å; E452-K456 PolarHBondContact O-N 3.37Å
453	S	96.2	Very high	96.9	Very high	49 Å²	49	62.7 Å²	62.7	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-65.1	-35.8	176.3	53.7	0	0	0	0	113.1	R451 I457	R451-S453 PolarHBondContact NH1-OG 2.83Å; R451-S453 PolarHBondContact O-N 3.39Å; S453-I457 WeakPolarHBondContact O-CB 3.47Å; S453-I457 WeakPolarHBondContact O-CD1 3.24Å; S453-I457 WeakPolarHBondContact O-CG1 3.46Å; S453-I457 PolarHBondContact O-N 3.34Å
454	Q	96.6	Very high	96.6	Very high	32 Å²	32	59.1 Å²	59.1	15%	0.15	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-42.7	175.3	-70.4	168	-90.2	0	0	110.8	F418 R451 I457 W458	F418-Q454 HydrophobicContact CE1-CB 4.06Å; F418-Q454 HydrophobicContact CZ-CB 4.05Å; R451-Q454 VanDerWaalsContact N-OE1 3.17Å; R451-Q454 VanDerWaalsContact NE-OE1 3.08Å; R451-Q454 WeakPolarHBondContact O-CA 3.24Å; R451-Q454 WeakPolarHBondContact O-CB 3.45Å; R451-Q454 PolarHBondContact O-N 3.23Å; Q454-I457 PolarHBondContact O-N 2.72Å; Q454-W458 WeakPolarHBondContact O-CB 3.41Å; Q454-W458 PolarHBondContact O-N 2.89Å
455	V	97.3	Very high	96.3	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-48.8	174.1	178.3	0	0	0	0	110.8	L426 L436 R441 L444 A445 L450 R451 E452 I457 W458 F459	L426-V455 HydrophobicContact CD2-CG1 4.34Å; L436-V455 HydrophobicContact CD1-CG1 3.57Å; R441-V455 HydrophobicContact CG-CB 4.39Å; R441-V455 HydrophobicContact CG-CG1 4.15Å; L444-V455 HydrophobicContact CD2-CG1 3.84Å; A445-V455 HydrophobicContact CB-CG2 4.2Å; L450-V455 HydrophobicContact CB-CG2 4.18Å; L450-V455 HydrophobicContact CD1-CG2 4.46Å; R451-V455 PolarHBondContact O-N 3.34Å; E452-V455 PolarHBondContact O-N 2.9Å; V455-I457 PolarHBondContact O-N 3.2Å; V455-W458 PolarHBondContact O-N 3.17Å; V455-F459 HydrophobicContact CG1-CD2 4.02Å; V455-F459 HydrophobicContact CG1-CE2 4.21Å; V455-F459 WeakPolarHBondContact O-CD2 3.4Å; V455-F459 PolarHBondContact O-N 2.88Å
456	K	96.9	Very high	95.8	Very high	107 Å²	107	68.1 Å²	68.1	47%	0.465	34%	0.338	S	S	.	.	H	α-helix	trans	-55.1	-48.5	176.7	-175	179.8	179.8	179.7	0	111.8	E452 F459 Q460	E452-K456 WeakPolarHBondContact O-CB 3.28Å; E452-K456 PolarHBondContact O-N 3.37Å; K456-F459 PolarHBondContact O-N 2.95Å; K456-Q460 WeakPolarHBondContact O-CG 3.32Å; K456-Q460 PolarHBondContact O-N 2.89Å
457	I	95.9	Very high	95.2	Very high	89 Å²	89	67.5 Å²	67.5	46%	0.456	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-39.6	178.8	-70.5	165.9	0	0	0	111.2	S453 Q454 V455 Q460 N461	S453-I457 WeakPolarHBondContact O-CB 3.47Å; S453-I457 WeakPolarHBondContact O-CD1 3.24Å; S453-I457 WeakPolarHBondContact O-CG1 3.46Å; S453-I457 PolarHBondContact O-N 3.34Å; Q454-I457 PolarHBondContact O-N 2.72Å; V455-I457 PolarHBondContact O-N 3.2Å; I457-Q460 PolarHBondContact O-N 3.25Å; I457-N461 VanDerWaalsContact CG2-ND2 3.35Å; I457-N461 WeakPolarHBondContact CG2-ND2 3.48Å; I457-N461 WeakPolarHBondContact O-CB 3.34Å; I457-N461 VanDerWaalsContact O-CG 3.29Å; I457-N461 PolarHBondContact O-N 2.85Å; I457-N461 PolarHBondContact O-ND2 2.86Å
458	W	97.4	Very high	94.4	Very high	30 Å²	30	71.4 Å²	71.4	11%	0.114	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-46.1	176.1	-174.2	103	0	0	0	111.1	F418 L426 F430 Q454 V455 Q460 N461 K462	F418-W458 AromaticContact CD2-CD1 3.8Å; F418-W458 HydrophobicContact CE2-CB 4.34Å; F418-W458 AromaticContact CE2-CD1 3.66Å; F418-W458 HydrophobicContact CE2-CG 4.38Å; L426-W458 VanDerWaalsContact C-CH2 3.45Å; L426-W458 HydrophobicContact CB-CD2 4.02Å; L426-W458 HydrophobicContact CB-CE3 4.06Å; L426-W458 HydrophobicContact CB-CH2 3.74Å; L426-W458 HydrophobicContact CB-CZ2 3.65Å; L426-W458 HydrophobicContact CB-CZ3 3.93Å; L426-W458 HydrophobicContact CD1-CD2 4Å; L426-W458 HydrophobicContact CD1-CG 3.95Å; L426-W458 HydrophobicContact CD2-CD2 4.37Å; L426-W458 HydrophobicContact CD2-CE3 4.26Å; L426-W458 HydrophobicContact CG-CD2 4.36Å; L426-W458 VanDerWaalsContact O-CH2 3.25Å; L426-W458 WeakPolarHBondContact O-CH2 3.49Å; L426-W458 WeakPolarHBondContact O-CZ3 3.31Å; F430-W458 HydrophobicContact CB-CH2 4.06Å; F430-W458 HydrophobicContact CB-CZ3 3.92Å; F430-W458 HydrophobicContact CD2-CZ3 4.19Å; F430-W458 HydrophobicContact CG-CZ3 4.31Å; Q454-W458 WeakPolarHBondContact O-CB 3.41Å; Q454-W458 PolarHBondContact O-N 2.89Å; V455-W458 PolarHBondContact O-N 3.17Å; W458-Q460 PolarHBondContact O-N 2.77Å; W458-N461 PolarHBondContact O-N 2.8Å; W458-K462 HydrophobicContact CE3-CB 4.13Å; W458-K462 HydrophobicContact CH2-CB 4.08Å; W458-K462 HydrophobicContact CH2-CD 3.79Å; W458-K462 HydrophobicContact CH2-CG 3.83Å; W458-K462 HydrophobicContact CZ2-CD 4.11Å; W458-K462 HydrophobicContact CZ2-CG 4.47Å; W458-K462 HydrophobicContact CZ3-CB 3.88Å; W458-K462 HydrophobicContact CZ3-CD 4.44Å; W458-K462 HydrophobicContact CZ3-CG 3.96Å; W458-K462 WeakPolarHBondContact O-CB 3.48Å; W458-K462 PolarHBondContact O-N 3.42Å
459	F	98	Very high	93.4	Very high	4 Å²	4	74.6 Å²	74.6	2%	0.018	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-41.7	177.8	-92.2	-101.6	0	0	0	112.5	L426 E429 F430 N433 L436 L444 V455 K456 K462 R463	L426-F459 HydrophobicContact CD2-CE2 4Å; E429-F459 HydrophobicContact CB-CZ 4.21Å; E429-F459 HydrophobicContact CG-CZ 4.09Å; F430-F459 HydrophobicContact CB-CE1 4.01Å; F430-F459 HydrophobicContact CB-CZ 4.15Å; F430-F459 AromaticContact CD2-CD1 3.74Å; F430-F459 HydrophobicContact CD2-CD1 3.74Å; F430-F459 AromaticContact CD2-CE1 3.74Å; F430-F459 HydrophobicContact CD2-CE1 3.74Å; F430-F459 HydrophobicContact CE2-CD1 4.43Å; F430-F459 HydrophobicContact CG-CE1 4.36Å; N433-F459 WeakPolarHBondContact O-CE1 3.33Å; L436-F459 HydrophobicContact CD1-CD1 4.1Å; L436-F459 HydrophobicContact CD1-CD2 3.53Å; L436-F459 HydrophobicContact CD1-CE1 3.95Å; L436-F459 HydrophobicContact CD1-CE2 3.4Å; L436-F459 VanDerWaalsContact CD1-CE2 3.4Å; L436-F459 HydrophobicContact CD1-CG 3.91Å; L436-F459 HydrophobicContact CD1-CZ 3.63Å; L436-F459 HydrophobicContact CD2-CE1 3.93Å; L436-F459 HydrophobicContact CD2-CZ 3.93Å; L436-F459 HydrophobicContact CG-CD1 3.77Å; L436-F459 HydrophobicContact CG-CD2 4.15Å; L436-F459 HydrophobicContact CG-CE1 3.58Å; L436-F459 HydrophobicContact CG-CE2 4.02Å; L436-F459 HydrophobicContact CG-CG 4.06Å; L436-F459 HydrophobicContact CG-CZ 3.73Å; L444-F459 HydrophobicContact CD2-CE2 3.88Å; L444-F459 HydrophobicContact CD2-CZ 4.32Å; V455-F459 HydrophobicContact CG1-CD2 4.02Å; V455-F459 HydrophobicContact CG1-CE2 4.21Å; V455-F459 WeakPolarHBondContact O-CD2 3.4Å; V455-F459 PolarHBondContact O-N 2.88Å; K456-F459 PolarHBondContact O-N 2.95Å; F459-K462 PolarHBondContact O-N 3.43Å; F459-R463 WeakPolarHBondContact O-CG 3.29Å; F459-R463 PolarHBondContact O-N 3.14Å
460	Q	96	Very high	92.1	Very high	90 Å²	90	71.8 Å²	71.8	42%	0.421	36%	0.363	S	S	.	.	H	α-helix	trans	-59.1	-47.4	172.5	-74.7	173	-23	0	0	111.6	K456 I457 W458 R463 A464	K456-Q460 WeakPolarHBondContact O-CG 3.32Å; K456-Q460 PolarHBondContact O-N 2.89Å; I457-Q460 PolarHBondContact O-N 3.25Å; W458-Q460 PolarHBondContact O-N 2.77Å; Q460-R463 PolarHBondContact O-N 3.09Å; Q460-A464 WeakPolarHBondContact O-CB 3.39Å; Q460-A464 PolarHBondContact O-N 3.24Å
461	N	96.8	Very high	90.4	Very high	93 Å²	93	73.6 Å²	73.6	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-40.4	178.6	-76.6	-39.4	0	0	0	112.7	I457 W458 A464 K465	I457-N461 VanDerWaalsContact CG2-ND2 3.35Å; I457-N461 WeakPolarHBondContact CG2-ND2 3.48Å; I457-N461 WeakPolarHBondContact O-CB 3.34Å; I457-N461 VanDerWaalsContact O-CG 3.29Å; I457-N461 PolarHBondContact O-N 2.85Å; I457-N461 PolarHBondContact O-ND2 2.86Å; W458-N461 PolarHBondContact O-N 2.8Å; N461-A464 PolarHBondContact O-N 2.89Å; N461-K465 WeakPolarHBondContact O-CG 3.44Å; N461-K465 PolarHBondContact O-N 2.97Å
462	K	96.4	Very high	88.5	Confident	58 Å²	58	70.8 Å²	70.8	25%	0.252	39%	0.393	S	S	.	.	H	α-helix	trans	-64.2	-47.7	175.8	-177.3	82	173.9	-164.1	0	110.2	F430 W458 F459 A464 K465 T466	F430-K462 HydrophobicContact CD1-CD 4.28Å; F430-K462 VanDerWaalsContact CD1-CE 3.49Å; F430-K462 HydrophobicContact CD1-CG 3.69Å; F430-K462 HydrophobicContact CD2-CB 4.05Å; F430-K462 HydrophobicContact CD2-CG 3.52Å; F430-K462 HydrophobicContact CE1-CD 4.37Å; F430-K462 HydrophobicContact CE1-CG 3.62Å; F430-K462 HydrophobicContact CE2-CB 3.85Å; F430-K462 HydrophobicContact CE2-CG 3.44Å; F430-K462 VanDerWaalsContact CE2-CG 3.44Å; F430-K462 HydrophobicContact CG-CD 4.47Å; F430-K462 HydrophobicContact CG-CG 3.64Å; F430-K462 HydrophobicContact CZ-CB 4.25Å; F430-K462 HydrophobicContact CZ-CG 3.49Å; F430-K462 VanDerWaalsContact CZ-CG 3.49Å; W458-K462 HydrophobicContact CE3-CB 4.13Å; W458-K462 HydrophobicContact CH2-CB 4.08Å; W458-K462 HydrophobicContact CH2-CD 3.79Å; W458-K462 HydrophobicContact CH2-CG 3.83Å; W458-K462 HydrophobicContact CZ2-CD 4.11Å; W458-K462 HydrophobicContact CZ2-CG 4.47Å; W458-K462 HydrophobicContact CZ3-CB 3.88Å; W458-K462 HydrophobicContact CZ3-CD 4.44Å; W458-K462 HydrophobicContact CZ3-CG 3.96Å; W458-K462 WeakPolarHBondContact O-CB 3.48Å; W458-K462 PolarHBondContact O-N 3.42Å; F459-K462 PolarHBondContact O-N 3.43Å; K462-A464 PolarHBondContact O-N 3.32Å; K462-K465 PolarHBondContact O-N 3.31Å; K462-K465 VanDerWaalsContact O-N 3.17Å; K462-T466 PolarHBondContact O-N 3.03Å; K462-T466 PolarHBondContact O-OG1 3.49Å; K462-T466 VanDerWaalsContact O-OG1 3.09Å
463	R	95.7	Very high	86.7	Confident	55 Å²	55	73.4 Å²	73.4	21%	0.208	41%	0.405	C	S	.	.	H	α-helix	trans	-56.7	-45.9	172.7	-74.2	-161	-65.1	-83.4	4.4	112.5	F430 R434 Y435 F459 Q460 K465 T466 K467	F430-R463 HydrophobicContact CE2-CG 3.69Å; F430-R463 HydrophobicContact CZ-CG 4.06Å; R434-R463 WeakPolarHBondContact O-CD 3.3Å; R434-R463 PolarHBondContact O-NH1 3.41Å; Y435-R463 VanDerWaalsContact CE1-NE 3.27Å; Y435-R463 VanDerWaalsContact CZ-CD 3.5Å; F459-R463 WeakPolarHBondContact O-CG 3.29Å; F459-R463 PolarHBondContact O-N 3.14Å; Q460-R463 PolarHBondContact O-N 3.09Å; R463-K465 VanDerWaalsContact C-N 3.31Å; R463-K465 PolarHBondContact O-N 2.94Å; R463-T466 PolarHBondContact O-N 3.2Å; R463-K467 VanDerWaalsContact O-CB 3.31Å; R463-K467 WeakPolarHBondContact O-CB 3.4Å; R463-K467 PolarHBondContact O-N 2.9Å
464	A	91.3	Very high	85.3	Confident	44 Å²	44	76 Å²	76	36%	0.364	42%	0.415	S	S	.	.	H	α-helix	trans	-63.2	-34.6	178.6	0	0	0	0	0	112.8	Q460 N461 K462 K468	Q460-A464 WeakPolarHBondContact O-CB 3.39Å; Q460-A464 PolarHBondContact O-N 3.24Å; N461-A464 PolarHBondContact O-N 2.89Å; K462-A464 PolarHBondContact O-N 3.32Å; A464-K468 VanDerWaalsContact O-CG 3.3Å; A464-K468 WeakPolarHBondContact O-CG 3.12Å; A464-K468 PolarHBondContact O-N 3.09Å
465	K	90.5	Very high	83.9	Confident	154 Å²	154	79.4 Å²	79.4	67%	0.67	44%	0.441	S	S	*	.	H	α-helix	trans	-69.2	-50	171.8	-75.8	-178.8	175.2	-169.3	0	111.9	N461 K462 R463 K467 K468 A469	N461-K465 WeakPolarHBondContact O-CG 3.44Å; N461-K465 PolarHBondContact O-N 2.97Å; K462-K465 PolarHBondContact O-N 3.31Å; K462-K465 VanDerWaalsContact O-N 3.17Å; R463-K465 VanDerWaalsContact C-N 3.31Å; R463-K465 PolarHBondContact O-N 2.94Å; K465-K467 VanDerWaalsContact C-N 3.29Å; K465-K467 PolarHBondContact O-N 3.42Å; K465-K468 WeakPolarHBondContact O-CB 3.19Å; K465-K468 PolarHBondContact O-N 3.44Å; K465-A469 PolarHBondContact O-N 3.41Å
466	T	88.8	Confident	82.6	Confident	41 Å²	41	84.1 Å²	84.1	25%	0.252	47%	0.466	S	S	.	.	H	α-helix	trans	-60.9	-39.1	179.7	-49.9	0	0	0	0	111.6	R434 K462 R463 K468 A469 S470	R434-T466 VanDerWaalsContact NH2-CG2 3.31Å; K462-T466 PolarHBondContact O-N 3.03Å; K462-T466 PolarHBondContact O-OG1 3.49Å; K462-T466 VanDerWaalsContact O-OG1 3.09Å; R463-T466 PolarHBondContact O-N 3.2Å; T466-K468 VanDerWaalsContact C-N 3.33Å; T466-K468 PolarHBondContact O-N 2.91Å; T466-A469 PolarHBondContact O-N 3.02Å; T466-S470 WeakPolarHBondContact O-CB 3.39Å; T466-S470 PolarHBondContact O-N 3.11Å
467	K	84.8	Confident	81.2	Confident	92 Å²	92	79.8 Å²	79.8	40%	0.4	45%	0.45	S	S	.	.	H	α-helix	trans	-60.8	-38.4	173.7	177.2	172.2	177	168.3	0	113	C25 L26 R463 K465	C25-K467 VanDerWaalsContact O-CE 3.28Å; C25-K467 WeakPolarHBondContact O-CE 3.49Å; C25-K467 PolarHBondContact O-NZ 2.69Å; L26-K467 VanDerWaalsContact CA-NZ 3.31Å; L26-K467 PolarHBondContact O-NZ 3.35Å; R463-K467 VanDerWaalsContact O-CB 3.31Å; R463-K467 WeakPolarHBondContact O-CB 3.4Å; R463-K467 PolarHBondContact O-N 2.9Å; K465-K467 VanDerWaalsContact C-N 3.29Å; K465-K467 PolarHBondContact O-N 3.42Å
468	K	78.7	Confident	80	Confident	162 Å²	162	79.8 Å²	79.8	70%	0.704	45%	0.45	S	S	*	.	H	α-helix	trans	-71.3	-30.8	174.6	-72.5	172.2	-179.1	-175.2	0	113	A464 K465 T466	A464-K468 VanDerWaalsContact O-CG 3.3Å; A464-K468 WeakPolarHBondContact O-CG 3.12Å; A464-K468 PolarHBondContact O-N 3.09Å; K465-K468 WeakPolarHBondContact O-CB 3.19Å; K465-K468 PolarHBondContact O-N 3.44Å; T466-K468 VanDerWaalsContact C-N 3.33Å; T466-K468 PolarHBondContact O-N 2.91Å
469	A	77.6	Confident	78.6	Confident	85 Å²	85	80.4 Å²	80.4	70%	0.702	46%	0.455	S	S	*	.	H	α-helix	trans	-75.3	-29.8	175.3	0	0	0	0	0	112.7	K465 T466 G471	K465-A469 PolarHBondContact O-N 3.41Å; T466-A469 PolarHBondContact O-N 3.02Å; A469-G471 PolarHBondContact O-N 2.99Å
470	S	69.9	Low	77.3	Confident	95 Å²	95	81.2 Å²	81.2	66%	0.664	46%	0.459	S	S	*	.	S	Bend	trans	-73.5	35.3	-175.2	-165.1	0	0	0	0	115.4	T466 A472	T466-S470 WeakPolarHBondContact O-CB 3.39Å; T466-S470 PolarHBondContact O-N 3.11Å; S470-A472 VanDerWaalsContact C-N 3.31Å; S470-A472 PolarHBondContact O-N 3.49Å; S470-A472 VanDerWaalsContact O-N 3.09Å
471	G	59.2	Low	76.1	Confident	58 Å²	58	81.2 Å²	81.2	60%	0.598	46%	0.46	S	S	*	.	S	Bend	trans	80.3	-15.5	161.9	0	0	0	0	0	118	A469 Q473	A469-G471 PolarHBondContact O-N 2.99Å; G471-Q473 PolarHBondContact O-N 3.49Å
472	A	57.5	Low	74.9	Confident	77 Å²	77	80.7 Å²	80.7	64%	0.636	47%	0.469	S	S	*	.			trans	-72.7	71.1	172.7	0	0	0	0	0	111.4	S470 N474	S470-A472 VanDerWaalsContact C-N 3.31Å; S470-A472 PolarHBondContact O-N 3.49Å; S470-A472 VanDerWaalsContact O-N 3.09Å; A472-N474 PolarHBondContact O-N 3.39Å
473	Q	59.6	Low	73.7	Confident	127 Å²	127	81.6 Å²	81.6	59%	0.593	47%	0.474	S	S	*	.			trans	-52	126	167.5	-68.3	-65	-15.7	0	0	108.1	G471 C475 L478	G471-Q473 PolarHBondContact O-N 3.49Å; Q473-C475 PolarHBondContact O-N 3.06Å; Q473-L478 HydrophobicContact CB-CD1 3.63Å; Q473-L478 HydrophobicContact CB-CD2 4.44Å; Q473-L478 HydrophobicContact CB-CG 4.03Å; Q473-L478 HydrophobicContact CG-CD1 4.45Å
474	N	66.3	Low	72.4	Confident	103 Å²	103	81.7 Å²	81.7	55%	0.551	49%	0.492	S	S	*	.			trans	-58.3	111.1	-178	-61.3	-82.5	0	0	0	107.9	A472 L476 A477 L478	A472-N474 PolarHBondContact O-N 3.39Å; N474-L476 PolarHBondContact O-N 2.79Å; N474-L476 VanDerWaalsContact O-N 3.14Å; N474-A477 HydrophobicContact CB-CB 3.84Å; N474-A477 WeakPolarHBondContact O-CA 3.06Å; N474-A477 WeakPolarHBondContact O-CB 3.4Å; N474-A477 PolarHBondContact O-N 3.15Å; N474-L478 PolarHBondContact O-N 2.87Å
475	C	68.1	Low	71.2	Confident	103 Å²	103	80.7 Å²	80.7	70%	0.696	48%	0.48	S	S	*	.	H	α-helix	trans	-52.5	-40.6	-177	176.2	0	0	0	0	111.1	Q473 A477 L478 H479	Q473-C475 PolarHBondContact O-N 3.06Å; C475-A477 PolarHBondContact O-N 3.03Å; C475-L478 PolarHBondContact O-N 3.33Å; C475-H479 WeakPolarHBondContact O-CB 3.45Å; C475-H479 PolarHBondContact O-N 3.46Å
476	L	69.3	Low	69.7	Low	99 Å²	99	77 Å²	77	52%	0.518	46%	0.462	S	S	.	.	H	α-helix	trans	-59	-40.7	171.9	-179.1	62.1	0	0	0	113.5	L378 N474 L480	L378-L476 HydrophobicContact CD2-CD1 4.36Å; N474-L476 PolarHBondContact O-N 2.79Å; N474-L476 VanDerWaalsContact O-N 3.14Å; L476-L480 HydrophobicContact CD1-CD1 3.95Å; L476-L480 HydrophobicContact CD1-CG 4.02Å; L476-L480 HydrophobicContact CG-CD1 3.88Å; L476-L480 HydrophobicContact CG-CG 4.37Å; L476-L480 WeakPolarHBondContact O-CB 3.44Å; L476-L480 WeakPolarHBondContact O-CG 3.25Å; L476-L480 PolarHBondContact O-N 3.47Å
477	A	68.2	Low	68.1	Low	17 Å²	17	79.7 Å²	79.7	14%	0.14	48%	0.475	C	S	.	.	H	α-helix	trans	-69.8	-39.9	177.7	0	0	0	0	0	111.8	N474 C475 M481	N474-A477 HydrophobicContact CB-CB 3.84Å; N474-A477 WeakPolarHBondContact O-CA 3.06Å; N474-A477 WeakPolarHBondContact O-CB 3.4Å; N474-A477 PolarHBondContact O-N 3.15Å; C475-A477 PolarHBondContact O-N 3.03Å; A477-M481 HydrophobicContact CB-CE 4.07Å; A477-M481 WeakPolarHBondContact O-CB 3.38Å; A477-M481 VanDerWaalsContact O-CE 3.29Å; A477-M481 WeakPolarHBondContact O-CE 3.28Å; A477-M481 VanDerWaalsContact O-CG 3.3Å; A477-M481 WeakPolarHBondContact O-CG 3.43Å; A477-M481 PolarHBondContact O-N 2.94Å
478	L	69.1	Low	66.5	Low	88 Å²	88	79.8 Å²	79.8	46%	0.461	48%	0.477	S	S	.	.	H	α-helix	trans	-62.9	-43.9	173.2	-70.2	177.5	0	0	0	111.6	Q473 N474 C475 M481 A482	Q473-L478 HydrophobicContact CB-CD1 3.63Å; Q473-L478 HydrophobicContact CB-CD2 4.44Å; Q473-L478 HydrophobicContact CB-CG 4.03Å; Q473-L478 HydrophobicContact CG-CD1 4.45Å; N474-L478 PolarHBondContact O-N 2.87Å; C475-L478 PolarHBondContact O-N 3.33Å; L478-M481 HydrophobicContact CD2-CE 4.21Å; L478-M481 WeakPolarHBondContact O-CB 3.43Å; L478-M481 PolarHBondContact O-N 3.14Å; L478-A482 PolarHBondContact O-N 3.07Å
479	H	68.4	Low	64.9	Low	44 Å²	44	76.6 Å²	76.6	20%	0.204	48%	0.475	C	S	.	.	H	α-helix	trans	-65.8	-43.3	177.6	-177.4	62.1	0	0	0	112.2	C475 M481 A482 E483	C475-H479 WeakPolarHBondContact O-CB 3.45Å; C475-H479 PolarHBondContact O-N 3.46Å; H479-M481 VanDerWaalsContact C-N 3.29Å; H479-M481 PolarHBondContact O-N 3.27Å; H479-A482 PolarHBondContact O-N 3.2Å; H479-E483 PolarHBondContact O-N 2.84Å
480	L	70.2	Confident	63.1	Low	21 Å²	21	77.5 Å²	77.5	11%	0.11	47%	0.472	C	S	.	.	H	α-helix	trans	-66.7	-28.7	173.6	-67.3	169.5	0	0	0	112.5	L378 V382 L476 G484 L485 Y486	L378-L480 HydrophobicContact CD1-CD2 4.05Å; V382-L480 HydrophobicContact CG1-CD2 3.93Å; L476-L480 HydrophobicContact CD1-CD1 3.95Å; L476-L480 HydrophobicContact CD1-CG 4.02Å; L476-L480 HydrophobicContact CG-CD1 3.88Å; L476-L480 HydrophobicContact CG-CG 4.37Å; L476-L480 WeakPolarHBondContact O-CB 3.44Å; L476-L480 WeakPolarHBondContact O-CG 3.25Å; L476-L480 PolarHBondContact O-N 3.47Å; L480-G484 PolarHBondContact O-N 2.7Å; L480-L485 HydrophobicContact CB-CB 4.42Å; L480-L485 HydrophobicContact CD2-CB 3.95Å; L480-L485 HydrophobicContact CD2-CD1 4.01Å; L480-L485 CarbonylContact O-C 3.47Å; L480-L485 WeakPolarHBondContact O-CA 3.31Å; L480-L485 PolarHBondContact O-N 2.8Å; L480-Y486 PolarHBondContact O-N 2.94Å
481	M	71.1	Confident	61.6	Low	89 Å²	89	83.1 Å²	83.1	44%	0.438	48%	0.478	S	S	.	.	H	α-helix	trans	-67.5	-45	169.5	-80	-177.4	-97.6	0	0	111.4	A477 L478 H479 E483 G484 Y486	A477-M481 HydrophobicContact CB-CE 4.07Å; A477-M481 WeakPolarHBondContact O-CB 3.38Å; A477-M481 VanDerWaalsContact O-CE 3.29Å; A477-M481 WeakPolarHBondContact O-CE 3.28Å; A477-M481 VanDerWaalsContact O-CG 3.3Å; A477-M481 WeakPolarHBondContact O-CG 3.43Å; A477-M481 PolarHBondContact O-N 2.94Å; L478-M481 HydrophobicContact CD2-CE 4.21Å; L478-M481 WeakPolarHBondContact O-CB 3.43Å; L478-M481 PolarHBondContact O-N 3.14Å; H479-M481 VanDerWaalsContact C-N 3.29Å; H479-M481 PolarHBondContact O-N 3.27Å; M481-E483 PolarHBondContact O-N 3.08Å; M481-G484 PolarHBondContact O-N 2.92Å; M481-G484 VanDerWaalsContact O-N 3.09Å; M481-Y486 HydrophobicContact CE-CD1 4.1Å; M481-Y486 HydrophobicContact CE-CE1 4.22Å; M481-Y486 HydrophobicContact CG-CD1 3.49Å; M481-Y486 VanDerWaalsContact CG-CD1 3.49Å; M481-Y486 HydrophobicContact CG-CE1 4.45Å; M481-Y486 HydrophobicContact CG-CG 4.09Å; M481-Y486 HydrophobicContact SD-CD1 4.03Å; M481-Y486 HydrophobicContact SD-CE1 4.47Å
482	A	73	Confident	60.7	Low	82 Å²	82	86.5 Å²	86.5	68%	0.678	49%	0.487	S	S	*	.	H	α-helix	trans	-63.1	-39.3	178	0	0	0	0	0	113	L478 H479 G484	L478-A482 PolarHBondContact O-N 3.07Å; H479-A482 PolarHBondContact O-N 3.2Å; A482-G484 PolarHBondContact O-N 3.32Å
483	E	70.7	Confident	59.6	Low	78 Å²	78	90.6 Å²	90.6	36%	0.364	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	1.9	174.6	-68.6	-65.8	137.7	0	0	113.6	R375 H479 M481 L485	R375-E483 IonicContact NH1-OE2 2.8Å; H479-E483 PolarHBondContact O-N 2.84Å; M481-E483 PolarHBondContact O-N 3.08Å; E483-L485 HydrophobicContact CB-CD1 3.83Å; E483-L485 HydrophobicContact CB-CG 4.01Å; E483-L485 PolarHBondContact O-N 3.29Å
484	G	68.8	Low	58.4	Low	56 Å²	56	89 Å²	89	58%	0.577	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	14.4	-178.5	0	0	0	0	0	114.7	L480 M481 A482	L480-G484 PolarHBondContact O-N 2.7Å; M481-G484 PolarHBondContact O-N 2.92Å; M481-G484 VanDerWaalsContact O-N 3.09Å; A482-G484 PolarHBondContact O-N 3.32Å
485	L	64.8	Low	57.1	Low	24 Å²	24	88.3 Å²	88.3	13%	0.126	49%	0.485	C	S	.	.			trans	-95.1	-1	-177.3	-61.1	170.9	0	0	0	113.6	F383 Y387 L480 E483	F383-L485 HydrophobicContact CD1-CD1 3.78Å; F383-L485 HydrophobicContact CD1-CD2 4.06Å; F383-L485 HydrophobicContact CE1-CD1 3.47Å; F383-L485 VanDerWaalsContact CE1-CD1 3.47Å; F383-L485 HydrophobicContact CE1-CD2 4.34Å; F383-L485 HydrophobicContact CZ-CD1 4.4Å; Y387-L485 CarbonylContact C-O 3.38Å; L480-L485 HydrophobicContact CB-CB 4.42Å; L480-L485 HydrophobicContact CD2-CB 3.95Å; L480-L485 HydrophobicContact CD2-CD1 4.01Å; L480-L485 CarbonylContact O-C 3.47Å; L480-L485 WeakPolarHBondContact O-CA 3.31Å; L480-L485 PolarHBondContact O-N 2.8Å; E483-L485 HydrophobicContact CB-CD1 3.83Å; E483-L485 HydrophobicContact CB-CG 4.01Å; E483-L485 PolarHBondContact O-N 3.29Å
486	Y	59.9	Low	55.8	Low	76 Å²	76	90.7 Å²	90.7	30%	0.298	49%	0.489	S	S	.	.			trans	-122.8	79.4	178.3	-168.9	-100.6	0	0	0	111.2	Y387 L480 M481 H488	Y387-Y486 HydrophobicContact CD1-CE2 4.35Å; L480-Y486 PolarHBondContact O-N 2.94Å; M481-Y486 HydrophobicContact CE-CD1 4.1Å; M481-Y486 HydrophobicContact CE-CE1 4.22Å; M481-Y486 HydrophobicContact CG-CD1 3.49Å; M481-Y486 VanDerWaalsContact CG-CD1 3.49Å; M481-Y486 HydrophobicContact CG-CE1 4.45Å; M481-Y486 HydrophobicContact CG-CG 4.09Å; M481-Y486 HydrophobicContact SD-CD1 4.03Å; M481-Y486 HydrophobicContact SD-CE1 4.47Å; Y486-H488 HydrophobicContact CD1-CB 4.18Å; Y486-H488 HydrophobicContact CE1-CB 3.63Å; Y486-H488 HydrophobicContact CE2-CB 4.34Å; Y486-H488 PolarHBondContact O-N 3.26Å; Y486-H488 VanDerWaalsContact O-N 3.12Å
487	N	54.6	Low	54.4	Low	97 Å²	97	93.9 Å²	93.9	52%	0.519	50%	0.502	S	S	.	.			trans	-85.8	32.5	179.9	-154.2	-5.1	0	0	0	113	D389 S489	D389-N487 WeakPolarHBondContact OD2-CB 3.44Å; D389-N487 PolarHBondContact OD2-ND2 3.03Å; N487-S489 PolarHBondContact O-N 3.18Å
488	H	51.9	Low	53	Low	94 Å²	94	101.3 Å²	101.3	44%	0.435	53%	0.533	S	S	.	.			trans	-80.5	74.9	162.2	-89.6	46.1	0	0	0	108.8	Y486 V490	Y486-H488 HydrophobicContact CD1-CB 4.18Å; Y486-H488 HydrophobicContact CE1-CB 3.63Å; Y486-H488 HydrophobicContact CE2-CB 4.34Å; Y486-H488 PolarHBondContact O-N 3.26Å; Y486-H488 VanDerWaalsContact O-N 3.12Å; H488-V490 HydrophobicContact CB-CG2 4.48Å; H488-V490 PolarHBondContact O-N 3.37Å
489	S	44.3	Very low	51.6	Low	95 Å²	95	105 Å²	105	66%	0.664	55%	0.553	S	S	*	*			trans	-65.4	59.2	148.5	50.3	0	0	0	0	109.8	N487 R491	N487-S489 PolarHBondContact O-N 3.18Å; S489-R491 PolarHBondContact O-N 3.47Å
490	V	40.8	Very low	50.4	Low	104 Å²	104	112.2 Å²	112.2	63%	0.63	59%	0.587	S	S	*	*			trans	-59.2	99	140.8	178.7	0	0	0	0	102.8	H488 V492	H488-V490 HydrophobicContact CB-CG2 4.48Å; H488-V490 PolarHBondContact O-N 3.37Å; V490-V492 PolarHBondContact O-N 3.16Å
491	R	38.6	Very low	49.1	Very low	214 Å²	214	120 Å²	120	81%	0.808	62%	0.623	S	S	*	*			trans	-52.1	102.5	155.8	-71	-178.3	175	116.8	-4.2	104	S489 R493	S489-R491 PolarHBondContact O-N 3.47Å; R491-R493 HydrophobicContact CB-CG 4.11Å; R491-R493 PolarHBondContact O-N 3.42Å
492	V	38.6	Very low	47.7	Very low	128 Å²	128	124.1 Å²	124.1	78%	0.776	65%	0.647	S	S	*	*			trans	-60.5	89.7	145.5	179.5	0	0	0	0	101.6	V490 S494	V490-V492 PolarHBondContact O-N 3.16Å; V492-S494 VanDerWaalsContact C-N 3.31Å; V492-S494 PolarHBondContact O-N 2.61Å
493	R	35.1	Very low	46.3	Very low	164 Å²	164	125 Å²	125	62%	0.619	65%	0.648	S	S	*	*			trans	-62.4	111.6	162.4	-66.6	-175.5	58.6	134.2	5.8	102.7	R491 D495	R491-R493 HydrophobicContact CB-CG 4.11Å; R491-R493 PolarHBondContact O-N 3.42Å; R493-D495 HydrophobicContact CB-CB 4.46Å; R493-D495 VanDerWaalsContact CB-CG 3.41Å; R493-D495 WeakPolarHBondContact CB-OD1 3.33Å; R493-D495 WeakPolarHBondContact CB-OD2 3.31Å; R493-D495 VanDerWaalsContact CD-OD2 3.29Å; R493-D495 WeakPolarHBondContact CD-OD2 3.38Å; R493-D495 IonicContact CZ-OD1 2.68Å; R493-D495 VanDerWaalsContact CZ-OD1 3.24Å; R493-D495 IonicContact CZ-OD2 2.69Å; R493-D495 IonicContact NE-OD1 2.71Å; R493-D495 PolarHBondContact NE-OD1 2.99Å; R493-D495 IonicContact NE-OD2 2.7Å; R493-D495 PolarHBondContact NE-OD2 2.64Å; R493-D495 IonicContact NH2-OD1 3.78Å; R493-D495 PolarHBondContact NH2-OD1 3.31Å; R493-D495 IonicContact NH2-OD2 3.6Å; R493-D495 PolarHBondContact O-N 3.23Å
494	S	35.4	Very low	44.9	Very low	93 Å²	93	128.4 Å²	128.4	65%	0.65	67%	0.669	S	S	*	*			trans	-69.8	60.3	161.9	49.1	0	0	0	0	107.5	V492 I496	V492-S494 VanDerWaalsContact C-N 3.31Å; V492-S494 PolarHBondContact O-N 2.61Å; S494-I496 PolarHBondContact O-N 3.06Å
495	D	37.2	Very low	43.8	Very low	89 Å²	89	133.1 Å²	133.1	48%	0.476	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	58.2	164.4	-54.1	-39.6	0	0	0	106.1	R493	R493-D495 HydrophobicContact CB-CB 4.46Å; R493-D495 VanDerWaalsContact CB-CG 3.41Å; R493-D495 WeakPolarHBondContact CB-OD1 3.33Å; R493-D495 WeakPolarHBondContact CB-OD2 3.31Å; R493-D495 VanDerWaalsContact CD-OD2 3.29Å; R493-D495 WeakPolarHBondContact CD-OD2 3.38Å; R493-D495 IonicContact CZ-OD1 2.68Å; R493-D495 VanDerWaalsContact CZ-OD1 3.24Å; R493-D495 IonicContact CZ-OD2 2.69Å; R493-D495 IonicContact NE-OD1 2.71Å; R493-D495 PolarHBondContact NE-OD1 2.99Å; R493-D495 IonicContact NE-OD2 2.7Å; R493-D495 PolarHBondContact NE-OD2 2.64Å; R493-D495 IonicContact NH2-OD1 3.78Å; R493-D495 PolarHBondContact NH2-OD1 3.31Å; R493-D495 IonicContact NH2-OD2 3.6Å; R493-D495 PolarHBondContact O-N 3.23Å
496	I	41.3	Very low	43.2	Very low	152 Å²	152	140.3 Å²	140.3	78%	0.779	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-12.1	176	-72.3	178.2	0	0	0	109.7	S494	S494-I496 PolarHBondContact O-N 3.06Å
497	E	39.6	Very low	42.4	Very low	167 Å²	167	143.7 Å²	143.7	78%	0.78	74%	0.739	S	S	*	*	S	Bend	trans	-138.9	94.4	-179.7	-66	164	-150.1	0	0	106.4
498	E	39.6	Very low	41.5	Very low	173 Å²	173	145.3 Å²	145.3	81%	0.808	75%	0.753	S	S	*	*	S	Bend	trans	176.3	-12.6	162	-103.5	165.2	-144.3	0	0	114.6
499	D	38.8	Very low	41.3	Very low	164 Å²	164	145.3 Å²	145.3	88%	0.877	76%	0.763	S	S	*	*	S	Bend	trans	-98.9	14.6	-174.7	-77.8	-21.3	0	0	0	115.6
500	E	43.4	Very low	40.6	Very low	196 Å²	196	153.8 Å²	153.8	92%	0.916	79%	0.792	S	S	*	*	S	Bend	trans	-113.5	10.7	-178.9	-78.4	-165.3	171.1	0	0	115.7
501	E	43.2	Very low	40.6	Very low	185 Å²	185	156.3 Å²	156.3	86%	0.864	80%	0.8	S	S	*	*	S	Bend	trans	-118.1	77.4	176.2	-68.8	-174.3	175.4	0	0	112.1
502	D	43.1	Very low	40.7	Very low	176 Å²	176	153.2 Å²	153.2	94%	0.941	80%	0.8	S	S	*	*	S	Bend	trans	-167.6	14.8	165.7	-114.7	-10.7	0	0	0	117
503	S	43.5	Very low	40.9	Very low	99 Å²	99	154.6 Å²	154.6	69%	0.692	80%	0.801	S	S	*	*	S	Bend	trans	-113.5	-15.9	-174.9	60.1	0	0	0	0	117.9	D505	S503-D505 PolarHBondContact O-N 2.85Å
504	D	40.4	Very low	41.2	Very low	150 Å²	150	154.1 Å²	154.1	80%	0.802	81%	0.812	S	S	*	*			trans	-110.1	58.2	-158.6	-69.8	13	0	0	0	113.3
505	D	46.5	Very low	41.6	Very low	155 Å²	155	157.9 Å²	157.9	83%	0.829	82%	0.822	S	S	*	*			trans	-140.2	53	172.7	-121.8	-14.5	0	0	0	112.2	S503	S503-D505 PolarHBondContact O-N 2.85Å
506	M	51.2	Low	41.9	Very low	176 Å²	176	162.5 Å²	162.5	87%	0.867	85%	0.845	S	S	*	*			trans	-124.6	62.4	163.1	-89.8	-68	-141.1	0	0	109.7	T508	M506-T508 PolarHBondContact O-N 3.45Å; M506-T508 PolarHBondContact O-OG1 3.16Å
507	N	42.5	Very low	41.9	Very low	147 Å²	147	163.2 Å²	163.2	79%	0.786	85%	0.85	S	S	*	*			trans	-67.4	132.5	176.2	-159.9	5.3	0	0	0	110.5
508	T	36.9	Very low	42.1	Very low	131 Å²	131	162.9 Å²	162.9	80%	0.804	86%	0.855	S	S	*	*			trans	-111.6	111.4	-170.9	-55.8	0	0	0	0	109.9	M506	M506-T508 PolarHBondContact O-N 3.45Å; M506-T508 PolarHBondContact O-OG1 3.16Å
509	S	46.7	Very low	42.3	Very low	94 Å²	94	162.1 Å²	162.1	66%	0.657	86%	0.859	S	S	*	*			trans	-175.2	129.1	174.6	52.5	0	0	0	0	106.7
510	E	31.5	Very low	42.6	Very low	272 Å²	272	161.9 Å²	161.9	100%	1.271	86%	0.857	S	S	*	*			cis	49.8	0	21.8	-139	172.6	-137.8	0	0	115.6

Retrieved 510 of 510 residues in 227 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).