SMOX3_SCHMA Loading...

Homeobox protein SMOX-3

AlphaFold DB , UniProt , Accession Q26602, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene SMOX-3, Length 288 aa.

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(Predicted Aligned Error values between residue pairs)

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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	K	72.3	Confident	87.2	Confident	266 Å²	266	169.9 Å²	169.9	100%	1.157	73%	0.73	S	S	*	*				0	118.3	0	-74	178.3	176.7	176.7	0	108.9
2	R	79.7	Confident	88.1	Confident	256 Å²	256	161.8 Å²	161.8	97%	0.966	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-69.6	129.9	175	-74	178.6	135.4	171.9	-4.8	109	Q4	R2-Q4 PolarHBondContact O-N 3.48Å
3	K	82.1	Confident	88.8	Confident	205 Å²	205	156.8 Å²	156.8	89%	0.891	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-71.9	123.3	-179	-163.3	169.8	-174.3	175	0	109.2	R5	K3-R5 PolarHBondContact O-N 3.14Å
4	Q	86.7	Confident	89.5	Confident	165 Å²	165	154.4 Å²	154.4	77%	0.771	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-60.4	127.1	177	-178	59.3	38	0	0	109.6	R2	R2-Q4 PolarHBondContact O-N 3.48Å
5	R	87.1	Confident	90.1	Very high	223 Å²	223	145.6 Å²	145.6	84%	0.842	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-67.2	138.6	173.8	-78.1	-176	164	-173.1	-3.9	109.5	K3	K3-R5 PolarHBondContact O-N 3.14Å
6	R	85.6	Confident	90.6	Very high	189 Å²	189	141.2 Å²	141.2	71%	0.713	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-62	136.6	175.3	-168.3	-178.1	-171.4	-149.7	3.2	109.4	R8	R6-R8 PolarHBondContact O-N 3.04Å
7	I	89.7	Confident	91.1	Very high	132 Å²	132	141.8 Å²	141.8	68%	0.677	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-62.1	132.2	174.3	-55.9	-57.9	0	0	0	109.8
8	R	90.4	Very high	91.5	Very high	225 Å²	225	135.9 Å²	135.9	85%	0.849	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-77.7	134.8	175.7	-175.2	175.8	-178.5	177.9	-0.3	109	R6	R6-R8 PolarHBondContact O-N 3.04Å
9	T	91.9	Very high	91.9	Very high	39 Å²	39	128.7 Å²	128.7	24%	0.239	59%	0.585	C	S	.	*	P	Polyproline II helix	trans	-77.9	133	172.1	-58.2	0	0	0	0	109.4	F11 L43 R47	T9-F11 HydrophobicContact CG2-CD1 4.17Å; T9-F11 HydrophobicContact CG2-CE1 3.79Å; T9-F11 HydrophobicContact CG2-CZ 4.17Å; T9-L43 HydrophobicContact CG2-CD2 4.31Å; T9-R47 WeakPolarHBondContact OG1-CD 3.47Å; T9-R47 PolarHBondContact OG1-NE 2.91Å; T9-R47 VanDerWaalsContact OG1-NE 3.1Å; T9-R47 PolarHBondContact OG1-NH1 3.45Å; T9-R47 PolarHBondContact OG1-NH2 2.89Å
10	T	95.8	Very high	92.2	Very high	106 Å²	106	124.5 Å²	124.5	65%	0.65	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-101.8	138.3	165.1	50.1	0	0	0	0	108.1
11	F	97.6	Very high	92.5	Very high	63 Å²	63	125.3 Å²	125.3	28%	0.276	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-101.8	140	178.6	-58.9	-69.4	0	0	0	109.4	T9 Q15 L16 L19 L43 W51	T9-F11 HydrophobicContact CG2-CD1 4.17Å; T9-F11 HydrophobicContact CG2-CE1 3.79Å; T9-F11 HydrophobicContact CG2-CZ 4.17Å; F11-Q15 VanDerWaalsContact CA-OE1 3.28Å; F11-Q15 HydrophobicContact CB-CB 4.34Å; F11-L16 HydrophobicContact CB-CD1 4.47Å; F11-L16 HydrophobicContact CB-CD2 3.73Å; F11-L16 HydrophobicContact CB-CG 3.81Å; F11-L16 HydrophobicContact CD2-CD2 4.13Å; F11-L16 HydrophobicContact CG-CD2 4.16Å; F11-L19 HydrophobicContact CD1-CD1 4.36Å; F11-L43 HydrophobicContact CD1-CD1 3.69Å; F11-L43 HydrophobicContact CD1-CD2 4.05Å; F11-L43 HydrophobicContact CE1-CD1 3.54Å; F11-L43 HydrophobicContact CE1-CD2 3.98Å; F11-L43 HydrophobicContact CE1-CG 4.44Å; F11-W51 AromaticContact CE2-CD1 3.62Å; F11-W51 HydrophobicContact CZ-CB 4.33Å; F11-W51 AromaticContact CZ-CD1 3.96Å
12	T	98.2	Very high	93.8	Very high	73 Å²	73	113.2 Å²	113.2	45%	0.448	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-72.3	161.5	170.9	70	0	0	0	0	110.4	L14 Q15 L16	T12-L14 VanDerWaalsContact C-N 3.26Å; T12-L14 PolarHBondContact O-N 3.45Å; T12-Q15 PolarHBondContact O-N 3.02Å; T12-Q15 VanDerWaalsContact OG1-CG 3.28Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.42Å; T12-Q15 PolarHBondContact OG1-N 3.23Å; T12-L16 WeakPolarHBondContact O-CG 3.44Å; T12-L16 PolarHBondContact O-N 2.89Å
13	S	97.9	Very high	94.7	Very high	96 Å²	96	101.2 Å²	101.2	67%	0.671	47%	0.469	S	S	*	.	H	α-helix	trans	-57.7	-40.2	175.6	-174.7	0	0	0	0	112.1	L16 K17	S13-L16 PolarHBondContact O-N 3.25Å; S13-K17 PolarHBondContact O-N 3.02Å
14	L	98.2	Very high	95.4	Very high	123 Å²	123	97.7 Å²	97.7	64%	0.644	46%	0.456	S	S	*	.	H	α-helix	trans	-61.7	-46.9	176.3	-180	66.1	0	0	0	111.8	T12 L16 K17 E18	T12-L14 VanDerWaalsContact C-N 3.26Å; T12-L14 PolarHBondContact O-N 3.45Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 3.49Å; L14-K17 PolarHBondContact O-N 2.9Å; L14-E18 PolarHBondContact O-N 3.22Å; L14-E18 VanDerWaalsContact O-N 3.11Å
15	Q	98.6	Very high	95.9	Very high	23 Å²	23	96.6 Å²	96.6	11%	0.107	45%	0.451	C	S	.	.	H	α-helix	trans	-59.3	-44.9	177.2	-75.6	168.5	-14.9	0	0	111.5	F11 T12 K17 E18 L19 I41	F11-Q15 VanDerWaalsContact CA-OE1 3.28Å; F11-Q15 HydrophobicContact CB-CB 4.34Å; T12-Q15 PolarHBondContact O-N 3.02Å; T12-Q15 VanDerWaalsContact OG1-CG 3.28Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.42Å; T12-Q15 PolarHBondContact OG1-N 3.23Å; Q15-K17 VanDerWaalsContact C-N 3.34Å; Q15-K17 PolarHBondContact O-N 2.94Å; Q15-E18 PolarHBondContact O-N 2.75Å; Q15-L19 WeakPolarHBondContact O-CB 3.44Å; Q15-L19 WeakPolarHBondContact O-CD1 3.39Å; Q15-L19 WeakPolarHBondContact O-CG 3.38Å; Q15-L19 PolarHBondContact O-N 3.29Å; Q15-I41 HydrophobicContact CG-CB 4.01Å; Q15-I41 HydrophobicContact CG-CG1 4.37Å; Q15-I41 WeakPolarHBondContact CG-O 3.48Å; Q15-I41 PolarHBondContact NE2-O 3.14Å
16	L	98.5	Very high	96.5	Very high	75 Å²	75	88.6 Å²	88.6	39%	0.393	43%	0.427	S	S	.	.	H	α-helix	trans	-62.9	-39.8	178.3	-69.3	174.1	0	0	0	112.2	F11 T12 S13 L14 L19 E20	F11-L16 HydrophobicContact CB-CD1 4.47Å; F11-L16 HydrophobicContact CB-CD2 3.73Å; F11-L16 HydrophobicContact CB-CG 3.81Å; F11-L16 HydrophobicContact CD2-CD2 4.13Å; F11-L16 HydrophobicContact CG-CD2 4.16Å; T12-L16 WeakPolarHBondContact O-CG 3.44Å; T12-L16 PolarHBondContact O-N 2.89Å; S13-L16 PolarHBondContact O-N 3.25Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.07Å; L16-E20 WeakPolarHBondContact O-CB 3.41Å; L16-E20 PolarHBondContact O-N 3.39Å
17	K	98.3	Very high	97.1	Very high	152 Å²	152	82.5 Å²	82.5	66%	0.661	41%	0.407	S	S	*	.	H	α-helix	trans	-61.7	-47	177.4	-174.2	-178.8	178.9	-177	0	111.7	S13 L14 Q15 E20 R21	S13-K17 PolarHBondContact O-N 3.02Å; L14-K17 PolarHBondContact O-N 2.9Å; Q15-K17 VanDerWaalsContact C-N 3.34Å; Q15-K17 PolarHBondContact O-N 2.94Å; K17-E20 PolarHBondContact O-N 3.04Å; K17-R21 WeakPolarHBondContact O-CB 3.44Å; K17-R21 PolarHBondContact O-N 3.37Å
18	E	98.5	Very high	97.5	Very high	35 Å²	35	83.9 Å²	83.9	16%	0.164	40%	0.404	C	S	.	.	H	α-helix	trans	-66.7	-40.2	178	-72.9	-64.9	120	0	0	112.2	L14 Q15 R21 A22 L37 R40 I41	L14-E18 PolarHBondContact O-N 3.22Å; L14-E18 VanDerWaalsContact O-N 3.11Å; Q15-E18 PolarHBondContact O-N 2.75Å; E18-R21 PolarHBondContact O-N 3.2Å; E18-A22 WeakPolarHBondContact O-CB 3.16Å; E18-A22 PolarHBondContact O-N 3.43Å; E18-L37 HydrophobicContact CB-CD1 4.43Å; E18-R40 IonicContact OE2-NH1 3.87Å; E18-R40 PolarHBondContact OE2-NH1 3.24Å; E18-R40 VanDerWaalsContact OE2-NH1 3.1Å; E18-I41 HydrophobicContact CB-CG2 3.63Å; E18-I41 HydrophobicContact CG-CG2 3.88Å
19	L	98.8	Very high	97.9	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-62.1	-43.5	175.2	-75.5	162.8	0	0	0	112	F11 Q15 L16 F23 L37 I41 L43 V48 W51 F52	F11-L19 HydrophobicContact CD1-CD1 4.36Å; Q15-L19 WeakPolarHBondContact O-CB 3.44Å; Q15-L19 WeakPolarHBondContact O-CD1 3.39Å; Q15-L19 WeakPolarHBondContact O-CG 3.38Å; Q15-L19 PolarHBondContact O-N 3.29Å; L16-L19 PolarHBondContact O-N 3.07Å; L19-F23 WeakPolarHBondContact O-CB 3.17Å; L19-F23 PolarHBondContact O-N 3.19Å; L19-L37 HydrophobicContact CD2-CD2 4.09Å; L19-I41 HydrophobicContact CD1-CD1 4.19Å; L19-I41 HydrophobicContact CD2-CD1 3.87Å; L19-I41 HydrophobicContact CG-CD1 3.7Å; L19-L43 HydrophobicContact CD1-CD1 4.34Å; L19-V48 HydrophobicContact CD2-CG1 4.2Å; L19-V48 HydrophobicContact CD2-CG2 4.42Å; L19-W51 HydrophobicContact CB-CD2 3.94Å; L19-W51 HydrophobicContact CB-CE3 3.97Å; L19-W51 HydrophobicContact CB-CH2 3.71Å; L19-W51 HydrophobicContact CB-CZ2 3.63Å; L19-W51 HydrophobicContact CB-CZ3 3.87Å; L19-W51 HydrophobicContact CD1-CD2 3.96Å; L19-W51 HydrophobicContact CD1-CG 3.89Å; L19-W51 HydrophobicContact CD2-CD2 3.96Å; L19-W51 HydrophobicContact CD2-CE3 3.88Å; L19-W51 HydrophobicContact CD2-CG 4.23Å; L19-W51 HydrophobicContact CD2-CZ3 4.45Å; L19-W51 HydrophobicContact CG-CD2 4.18Å; L19-W51 HydrophobicContact CG-CE3 4.39Å; L19-W51 WeakPolarHBondContact O-CH2 3.39Å; L19-W51 WeakPolarHBondContact O-CZ3 3.21Å; L19-F52 HydrophobicContact CD2-CE2 4.17Å
20	E	98.6	Very high	98.2	Very high	43 Å²	43	75.7 Å²	75.7	20%	0.201	38%	0.376	C	S	.	.	H	α-helix	trans	-70.5	-38.8	178.2	-166.2	63.7	-155	0	0	111.8	L16 K17 A22 F23 Q24 R55	L16-E20 WeakPolarHBondContact O-CB 3.41Å; L16-E20 PolarHBondContact O-N 3.39Å; K17-E20 PolarHBondContact O-N 3.04Å; E20-A22 PolarHBondContact O-N 2.87Å; E20-F23 WeakPolarHBondContact O-CB 3.36Å; E20-F23 PolarHBondContact O-N 3.41Å; E20-F23 VanDerWaalsContact O-N 3.14Å; E20-Q24 WeakPolarHBondContact O-CG 3.14Å; E20-Q24 PolarHBondContact O-N 3.2Å; E20-R55 IonicContact OE1-CZ 3.35Å; E20-R55 IonicContact OE1-NE 3.14Å; E20-R55 PolarHBondContact OE1-NE 3.31Å; E20-R55 VanDerWaalsContact OE1-NE 3.14Å; E20-R55 IonicContact OE1-NH2 2.71Å; E20-R55 PolarHBondContact OE1-NH2 3.44Å; E20-R55 WeakPolarHBondContact OE2-CD 3.34Å; E20-R55 IonicContact OE2-CZ 3.78Å; E20-R55 IonicContact OE2-NE 2.82Å; E20-R55 PolarHBondContact OE2-NE 3.04Å; E20-R55 IonicContact OE2-NH2 3.85Å
21	R	98.4	Very high	98.3	Very high	142 Å²	142	74 Å²	74	54%	0.536	36%	0.362	S	S	.	.	H	α-helix	trans	-56.7	-50.3	172.2	-180	-175.3	176.6	172.6	3.9	111.3	K17 E18 F23 Q24 E25	K17-R21 WeakPolarHBondContact O-CB 3.44Å; K17-R21 PolarHBondContact O-N 3.37Å; E18-R21 PolarHBondContact O-N 3.2Å; R21-F23 VanDerWaalsContact C-N 3.26Å; R21-F23 PolarHBondContact O-N 2.96Å; R21-Q24 WeakPolarHBondContact O-CB 3.28Å; R21-Q24 PolarHBondContact O-N 2.78Å; R21-E25 IonicContact NE-OE1 3.73Å; R21-E25 PolarHBondContact O-N 2.92Å
22	A	98.4	Very high	98.4	Very high	13 Å²	13	79.1 Å²	79.1	11%	0.107	38%	0.381	C	S	.	.	H	α-helix	trans	-63.3	-32.9	176.9	0	0	0	0	0	112.4	E18 E20 Q24 E25 T26 L37 F52	E18-A22 WeakPolarHBondContact O-CB 3.16Å; E18-A22 PolarHBondContact O-N 3.43Å; E20-A22 PolarHBondContact O-N 2.87Å; A22-Q24 VanDerWaalsContact C-N 3.34Å; A22-E25 PolarHBondContact O-N 3.33Å; A22-T26 PolarHBondContact O-N 3.36Å; A22-L37 HydrophobicContact CB-CD1 4.44Å; A22-L37 HydrophobicContact CB-CD2 3.68Å; A22-F52 HydrophobicContact CB-CZ 4.04Å
23	F	98.6	Very high	98.4	Very high	4 Å²	4	78.6 Å²	78.6	2%	0.018	38%	0.378	C	S	.	.	H	α-helix	trans	-65.8	-36.2	175.5	-169.6	-98.9	0	0	0	112.5	L19 E20 R21 E25 T26 H27 W51 F52 R55 R56 F59	L19-F23 WeakPolarHBondContact O-CB 3.17Å; L19-F23 PolarHBondContact O-N 3.19Å; E20-F23 WeakPolarHBondContact O-CB 3.36Å; E20-F23 PolarHBondContact O-N 3.41Å; E20-F23 VanDerWaalsContact O-N 3.14Å; R21-F23 VanDerWaalsContact C-N 3.26Å; R21-F23 PolarHBondContact O-N 2.96Å; F23-E25 VanDerWaalsContact C-N 3.29Å; F23-E25 PolarHBondContact O-N 3.19Å; F23-T26 CarbonylContact O-C 3.37Å; F23-H27 AromaticContact CD1-CD2 3.54Å; F23-H27 AromaticContact CD1-NE2 3.83Å; F23-H27 AromaticContact CD2-CD2 3.89Å; F23-H27 AromaticContact CE1-CD2 3.15Å; F23-H27 WeakPolarHBondContact CE1-CD2 3.47Å; F23-H27 AromaticContact CE1-NE2 3.28Å; F23-H27 VanDerWaalsContact CE1-NE2 3.28Å; F23-H27 WeakPolarHBondContact CE1-NE2 3.37Å; F23-H27 HydrophobicContact CE2-CB 4.01Å; F23-H27 AromaticContact CE2-CD2 3.54Å; F23-H27 AromaticContact CE2-CG 3.99Å; F23-H27 AromaticContact CG-CD2 3.89Å; F23-H27 HydrophobicContact CZ-CB 4.21Å; F23-H27 AromaticContact CZ-CD2 3.14Å; F23-H27 WeakPolarHBondContact CZ-CD2 3.41Å; F23-H27 AromaticContact CZ-CG 3.73Å; F23-H27 AromaticContact CZ-NE2 3.64Å; F23-H27 PolarHBondContact O-CD2 3.29Å; F23-W51 HydrophobicContact CB-CH2 4.13Å; F23-W51 HydrophobicContact CB-CZ3 4.08Å; F23-W51 HydrophobicContact CD2-CZ3 4.19Å; F23-W51 HydrophobicContact CG-CZ3 4.4Å; F23-F52 HydrophobicContact CB-CE1 4.2Å; F23-F52 AromaticContact CD2-CD1 3.8Å; F23-F52 HydrophobicContact CD2-CD1 3.8Å; F23-F52 AromaticContact CD2-CE1 3.81Å; F23-F52 HydrophobicContact CD2-CE1 3.81Å; F23-F52 HydrophobicContact CE2-CD1 4.43Å; F23-R55 HydrophobicContact CD1-CG 3.88Å; F23-R55 HydrophobicContact CD2-CB 4.15Å; F23-R55 HydrophobicContact CD2-CG 3.49Å; F23-R55 VanDerWaalsContact CD2-CG 3.49Å; F23-R55 HydrophobicContact CE1-CG 3.81Å; F23-R55 HydrophobicContact CE2-CB 3.96Å; F23-R55 HydrophobicContact CE2-CG 3.42Å; F23-R55 VanDerWaalsContact CE2-CG 3.42Å; F23-R55 HydrophobicContact CG-CG 3.74Å; F23-R55 HydrophobicContact CZ-CB 4.45Å; F23-R55 HydrophobicContact CZ-CG 3.59Å; F23-R56 HydrophobicContact CE2-CG 3.88Å; F23-R56 HydrophobicContact CZ-CG 4.36Å; F23-F59 HydrophobicContact CE1-CD2 4.31Å; F23-F59 HydrophobicContact CZ-CB 4.19Å; F23-F59 HydrophobicContact CZ-CG 4.4Å
24	Q	98	Very high	98.4	Very high	130 Å²	130	75.7 Å²	75.7	61%	0.607	35%	0.352	S	S	*	.	H	α-helix	trans	-65.1	-33.3	174.6	-68.3	171.1	-12	0	0	112.2	E20 R21 A22	E20-Q24 WeakPolarHBondContact O-CG 3.14Å; E20-Q24 PolarHBondContact O-N 3.2Å; R21-Q24 WeakPolarHBondContact O-CB 3.28Å; R21-Q24 PolarHBondContact O-N 2.78Å; A22-Q24 VanDerWaalsContact C-N 3.34Å
25	E	98	Very high	98.4	Very high	143 Å²	143	74 Å²	74	67%	0.668	34%	0.341	S	S	*	.	H	α-helix	trans	-73.2	-47	175.5	-65.6	173.3	-164.5	0	0	111.6	R21 A22 F23	R21-E25 IonicContact NE-OE1 3.73Å; R21-E25 PolarHBondContact O-N 2.92Å; A22-E25 PolarHBondContact O-N 3.33Å; F23-E25 VanDerWaalsContact C-N 3.29Å; F23-E25 PolarHBondContact O-N 3.19Å
26	T	98.3	Very high	98.4	Very high	55 Å²	55	77.2 Å²	77.2	34%	0.337	36%	0.359	S	S	.	.			trans	-154.2	133.9	173.7	178.7	0	0	0	0	112.9	A22 F23 Y28 P29 F52	A22-T26 PolarHBondContact O-N 3.36Å; F23-T26 CarbonylContact O-C 3.37Å; T26-Y28 PolarHBondContact O-N 3.48Å; T26-Y28 PolarHBondContact OG1-N 3.17Å; T26-Y28 VanDerWaalsContact OG1-N 3.13Å; T26-P29 HydrophobicContact CG2-CB 4.13Å; T26-F52 WeakPolarHBondContact O-CE1 3.45Å
27	H	98.2	Very high	98.4	Very high	61 Å²	61	73.8 Å²	73.8	28%	0.282	34%	0.341	S	S	.	.	S	Bend	trans	-73.1	-16.5	172.5	-59.1	153.6	0	0	0	113.2	F23 R56 F59	F23-H27 AromaticContact CD1-CD2 3.54Å; F23-H27 AromaticContact CD1-NE2 3.83Å; F23-H27 AromaticContact CD2-CD2 3.89Å; F23-H27 AromaticContact CE1-CD2 3.15Å; F23-H27 WeakPolarHBondContact CE1-CD2 3.47Å; F23-H27 AromaticContact CE1-NE2 3.28Å; F23-H27 VanDerWaalsContact CE1-NE2 3.28Å; F23-H27 WeakPolarHBondContact CE1-NE2 3.37Å; F23-H27 HydrophobicContact CE2-CB 4.01Å; F23-H27 AromaticContact CE2-CD2 3.54Å; F23-H27 AromaticContact CE2-CG 3.99Å; F23-H27 AromaticContact CG-CD2 3.89Å; F23-H27 HydrophobicContact CZ-CB 4.21Å; F23-H27 AromaticContact CZ-CD2 3.14Å; F23-H27 WeakPolarHBondContact CZ-CD2 3.41Å; F23-H27 AromaticContact CZ-CG 3.73Å; F23-H27 AromaticContact CZ-NE2 3.64Å; F23-H27 PolarHBondContact O-CD2 3.29Å; H27-R56 HydrophobicContact CB-CG 4.35Å; H27-R56 WeakPolarHBondContact O-CD 3.15Å; H27-R56 PolarHBondContact O-NH1 2.97Å; H27-F59 AromaticContact CE1-CE1 3.93Å; H27-F59 AromaticContact CE1-CE2 3.96Å; H27-F59 AromaticContact CE1-CZ 3.68Å
28	Y	98.6	Very high	98.5	Very high	161 Å²	161	66.7 Å²	66.7	63%	0.631	31%	0.311	S	S	*	.	S	Bend	trans	-130.3	67.1	-173.8	-64.6	-88.8	0	0	0	110.8	T26 R56	T26-Y28 PolarHBondContact O-N 3.48Å; T26-Y28 PolarHBondContact OG1-N 3.17Å; T26-Y28 VanDerWaalsContact OG1-N 3.13Å; Y28-R56 VanDerWaalsContact CE1-CD 3.48Å; Y28-R56 VanDerWaalsContact CZ-CD 3.5Å
29	P	98.3	Very high	98.4	Very high	10 Å²	10	71.6 Å²	71.6	7%	0.065	34%	0.337	C	S	.	.			trans	-63.9	140.6	176.3	29	-36.9	0	0	0	110.4	T26 T33 R34 F52	T26-P29 HydrophobicContact CG2-CB 4.13Å; P29-T33 HydrophobicContact CB-CG2 3.85Å; P29-R34 HydrophobicContact CB-CG 3.9Å; P29-R34 HydrophobicContact CG-CG 3.66Å; P29-R34 PolarHBondContact O-NH1 3.48Å; P29-F52 VanDerWaalsContact CD-CD1 3.46Å; P29-F52 HydrophobicContact CG-CD1 3.68Å; P29-F52 HydrophobicContact CG-CD2 4.06Å; P29-F52 HydrophobicContact CG-CE1 3.57Å; P29-F52 HydrophobicContact CG-CE2 3.97Å; P29-F52 HydrophobicContact CG-CG 3.94Å; P29-F52 HydrophobicContact CG-CZ 3.73Å
30	D	98.5	Very high	98.4	Very high	82 Å²	82	77.6 Å²	77.6	44%	0.439	36%	0.36	S	S	.	.			trans	-70.7	-177.2	175.1	72.7	2.5	0	0	0	111.9	Y32 T33 R34	D30-Y32 PolarHBondContact OD1-N 3.31Å; D30-T33 WeakPolarHBondContact OD1-CB 3.4Å; D30-T33 PolarHBondContact OD1-N 3.14Å; D30-T33 PolarHBondContact OD1-OG1 3.49Å; D30-R34 VanDerWaalsContact C-NH1 3.34Å; D30-R34 VanDerWaalsContact O-CG 3.28Å; D30-R34 WeakPolarHBondContact O-CG 3.38Å; D30-R34 PolarHBondContact O-N 3.36Å; D30-R34 PolarHBondContact O-NH1 3.45Å; D30-R34 VanDerWaalsContact O-NH1 3.16Å
31	I	98.4	Very high	98.4	Very high	69 Å²	69	76 Å²	76	35%	0.354	35%	0.353	S	S	.	.	H	α-helix	trans	-63.5	-45.4	-178.8	-175.8	60.5	0	0	0	111.8	R34 E35 E45	I31-R34 PolarHBondContact O-N 3.3Å; I31-E35 HydrophobicContact CD1-CG 4.31Å; I31-E35 HydrophobicContact CG1-CG 4.46Å; I31-E35 WeakPolarHBondContact O-CG 3.33Å; I31-E35 PolarHBondContact O-N 3.14Å; I31-E45 HydrophobicContact CD1-CG 3.95Å
32	Y	98.4	Very high	98.4	Very high	172 Å²	172	76.1 Å²	76.1	68%	0.675	36%	0.364	S	S	*	.	H	α-helix	trans	-67	-42.1	-176	-59	-63.4	0	0	0	112.4	D30 R34 E35 D36	D30-Y32 PolarHBondContact OD1-N 3.31Å; Y32-R34 VanDerWaalsContact C-N 3.28Å; Y32-R34 PolarHBondContact O-N 3.35Å; Y32-E35 PolarHBondContact O-N 3.21Å; Y32-D36 PolarHBondContact O-N 3.37Å
33	T	98.3	Very high	98.3	Very high	61 Å²	61	76.9 Å²	76.9	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-61.9	-38.5	175.8	-52.7	0	0	0	0	110.8	P29 D30 L37	P29-T33 HydrophobicContact CB-CG2 3.85Å; D30-T33 WeakPolarHBondContact OD1-CB 3.4Å; D30-T33 PolarHBondContact OD1-N 3.14Å; D30-T33 PolarHBondContact OD1-OG1 3.49Å; T33-L37 VanDerWaalsContact O-CB 3.23Å; T33-L37 WeakPolarHBondContact O-CB 3.44Å; T33-L37 PolarHBondContact O-N 3.3Å
34	R	98.8	Very high	98.3	Very high	36 Å²	36	80.7 Å²	80.7	14%	0.136	39%	0.39	C	S	.	.	H	α-helix	trans	-70.8	-38.7	176.5	-70.8	-167.1	-47.3	-87.2	1.3	112.3	P29 D30 I31 Y32 A38 E45 V48	P29-R34 HydrophobicContact CB-CG 3.9Å; P29-R34 HydrophobicContact CG-CG 3.66Å; P29-R34 PolarHBondContact O-NH1 3.48Å; D30-R34 VanDerWaalsContact C-NH1 3.34Å; D30-R34 VanDerWaalsContact O-CG 3.28Å; D30-R34 WeakPolarHBondContact O-CG 3.38Å; D30-R34 PolarHBondContact O-N 3.36Å; D30-R34 PolarHBondContact O-NH1 3.45Å; D30-R34 VanDerWaalsContact O-NH1 3.16Å; I31-R34 PolarHBondContact O-N 3.3Å; Y32-R34 VanDerWaalsContact C-N 3.28Å; Y32-R34 PolarHBondContact O-N 3.35Å; R34-A38 WeakPolarHBondContact O-CB 3.41Å; R34-A38 PolarHBondContact O-N 3.34Å; R34-E45 HydrophobicContact CB-CG 4.06Å; R34-E45 IonicContact CZ-OE1 3.96Å; R34-E45 VanDerWaalsContact CZ-OE1 3.23Å; R34-E45 IonicContact NE-OE1 3.1Å; R34-E45 PolarHBondContact NE-OE1 3.16Å; R34-E45 IonicContact NH2-OE1 3.78Å; R34-E45 PolarHBondContact NH2-OE1 3.17Å; R34-V48 HydrophobicContact CB-CG1 4.16Å; R34-V48 HydrophobicContact CG-CG1 4.04Å
35	E	98.7	Very high	98.3	Very high	88 Å²	88	76.7 Å²	76.7	41%	0.411	37%	0.371	S	S	.	.	H	α-helix	trans	-64.4	-48.1	176.7	-73.3	177.1	158.5	0	0	111.4	I31 Y32 L37 A38 L39 E45	I31-E35 HydrophobicContact CD1-CG 4.31Å; I31-E35 HydrophobicContact CG1-CG 4.46Å; I31-E35 WeakPolarHBondContact O-CG 3.33Å; I31-E35 PolarHBondContact O-N 3.14Å; Y32-E35 PolarHBondContact O-N 3.21Å; E35-L37 PolarHBondContact O-N 3.01Å; E35-A38 WeakPolarHBondContact O-CB 3.4Å; E35-A38 PolarHBondContact O-N 3.18Å; E35-L39 WeakPolarHBondContact O-CG 3.49Å; E35-L39 PolarHBondContact O-N 3.34Å; E35-E45 HydrophobicContact CG-CB 4.22Å; E35-E45 HydrophobicContact CG-CG 3.87Å
36	D	98.6	Very high	98.3	Very high	90 Å²	90	72 Å²	72	48%	0.481	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-47.5	176	179.4	73.9	0	0	0	111.9	Y32 A38 L39 R40	Y32-D36 PolarHBondContact O-N 3.37Å; D36-A38 VanDerWaalsContact C-N 3.31Å; D36-A38 PolarHBondContact O-N 2.99Å; D36-L39 PolarHBondContact O-N 3.25Å; D36-R40 PolarHBondContact O-N 3.37Å; D36-R40 IonicContact OD2-CZ 3.23Å; D36-R40 IonicContact OD2-NE 2.76Å; D36-R40 IonicContact OD2-NH2 2.8Å; D36-R40 PolarHBondContact OD2-NH2 3.26Å
37	L	98.6	Very high	98.3	Very high	2 Å²	2	71.6 Å²	71.6	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-42.5	177.1	-179.5	60	0	0	0	111.7	E18 L19 A22 T33 E35 R40 I41 V48 F52	E18-L37 HydrophobicContact CB-CD1 4.43Å; L19-L37 HydrophobicContact CD2-CD2 4.09Å; A22-L37 HydrophobicContact CB-CD1 4.44Å; A22-L37 HydrophobicContact CB-CD2 3.68Å; T33-L37 VanDerWaalsContact O-CB 3.23Å; T33-L37 WeakPolarHBondContact O-CB 3.44Å; T33-L37 PolarHBondContact O-N 3.3Å; E35-L37 PolarHBondContact O-N 3.01Å; L37-R40 PolarHBondContact O-N 3.49Å; L37-I41 HydrophobicContact CD1-CD1 4.13Å; L37-I41 HydrophobicContact CD1-CG2 4.22Å; L37-I41 HydrophobicContact CG-CD1 4.08Å; L37-I41 VanDerWaalsContact O-CG1 3.27Å; L37-I41 WeakPolarHBondContact O-CG1 3.34Å; L37-I41 PolarHBondContact O-N 3.29Å; L37-V48 HydrophobicContact CD2-CG1 3.95Å; L37-V48 HydrophobicContact CG-CG1 4.48Å; L37-F52 HydrophobicContact CD2-CE2 3.84Å; L37-F52 HydrophobicContact CD2-CZ 4.23Å
38	A	98.6	Very high	98.3	Very high	3 Å²	3	68.7 Å²	68.7	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-62.2	-42.8	179.2	0	0	0	0	0	112	R34 E35 D36 D42 L43 V48	R34-A38 WeakPolarHBondContact O-CB 3.41Å; R34-A38 PolarHBondContact O-N 3.34Å; E35-A38 WeakPolarHBondContact O-CB 3.4Å; E35-A38 PolarHBondContact O-N 3.18Å; D36-A38 VanDerWaalsContact C-N 3.31Å; D36-A38 PolarHBondContact O-N 2.99Å; A38-D42 PolarHBondContact O-N 2.82Å; A38-D42 VanDerWaalsContact O-N 3.17Å; A38-L43 CarbonylContact C-O 3.59Å; A38-L43 WeakPolarHBondContact CB-O 3.38Å; A38-L43 PolarHBondContact O-N 3.35Å; A38-L43 VanDerWaalsContact O-O 3.14Å; A38-V48 HydrophobicContact CB-CG2 3.73Å
39	L	98.3	Very high	98.3	Very high	139 Å²	139	65.4 Å²	65.4	73%	0.728	33%	0.326	S	S	*	.	H	α-helix	trans	-62.2	-43.2	175.3	-70.7	171.7	0	0	0	111.7	E35 D36 I41	E35-L39 WeakPolarHBondContact O-CG 3.49Å; E35-L39 PolarHBondContact O-N 3.34Å; D36-L39 PolarHBondContact O-N 3.25Å; L39-I41 VanDerWaalsContact C-N 3.3Å; L39-I41 PolarHBondContact O-N 2.71Å
40	R	98.2	Very high	98.3	Very high	126 Å²	126	67.8 Å²	67.8	48%	0.475	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-30	-177.1	-158.6	-170.5	-36.5	121.3	10.4	113.9	E18 D36 L37	E18-R40 IonicContact OE2-NH1 3.87Å; E18-R40 PolarHBondContact OE2-NH1 3.24Å; E18-R40 VanDerWaalsContact OE2-NH1 3.1Å; D36-R40 PolarHBondContact O-N 3.37Å; D36-R40 IonicContact OD2-CZ 3.23Å; D36-R40 IonicContact OD2-NE 2.76Å; D36-R40 IonicContact OD2-NH2 2.8Å; D36-R40 PolarHBondContact OD2-NH2 3.26Å; L37-R40 PolarHBondContact O-N 3.49Å
41	I	98.1	Very high	98.3	Very high	10 Å²	10	65.2 Å²	65.2	5%	0.051	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	15.5	-173.6	76.3	-172.4	0	0	0	113.3	Q15 E18 L19 L37 L39 L43	Q15-I41 HydrophobicContact CG-CB 4.01Å; Q15-I41 HydrophobicContact CG-CG1 4.37Å; Q15-I41 WeakPolarHBondContact CG-O 3.48Å; Q15-I41 PolarHBondContact NE2-O 3.14Å; E18-I41 HydrophobicContact CB-CG2 3.63Å; E18-I41 HydrophobicContact CG-CG2 3.88Å; L19-I41 HydrophobicContact CD1-CD1 4.19Å; L19-I41 HydrophobicContact CD2-CD1 3.87Å; L19-I41 HydrophobicContact CG-CD1 3.7Å; L37-I41 HydrophobicContact CD1-CD1 4.13Å; L37-I41 HydrophobicContact CD1-CG2 4.22Å; L37-I41 HydrophobicContact CG-CD1 4.08Å; L37-I41 VanDerWaalsContact O-CG1 3.27Å; L37-I41 WeakPolarHBondContact O-CG1 3.34Å; L37-I41 PolarHBondContact O-N 3.29Å; L39-I41 VanDerWaalsContact C-N 3.3Å; L39-I41 PolarHBondContact O-N 2.71Å; I41-L43 HydrophobicContact CD1-CD1 3.7Å; I41-L43 HydrophobicContact CD1-CG 4.42Å; I41-L43 HydrophobicContact CG1-CB 4.24Å; I41-L43 HydrophobicContact CG1-CD1 3.8Å; I41-L43 HydrophobicContact CG1-CG 3.95Å; I41-L43 PolarHBondContact O-N 3.14Å
42	D	98.2	Very high	98.4	Very high	144 Å²	144	62 Å²	62	77%	0.77	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	48.2	178.2	-61.6	-48.1	0	0	0	114	A38	A38-D42 PolarHBondContact O-N 2.82Å; A38-D42 VanDerWaalsContact O-N 3.17Å
43	L	97.5	Very high	98.4	Very high	29 Å²	29	59.4 Å²	59.4	15%	0.152	30%	0.302	C	S	.	.			trans	-122.5	167.5	173.7	-67.2	177.6	0	0	0	110.7	T9 F11 L19 A38 I41 R47 V48	T9-L43 HydrophobicContact CG2-CD2 4.31Å; F11-L43 HydrophobicContact CD1-CD1 3.69Å; F11-L43 HydrophobicContact CD1-CD2 4.05Å; F11-L43 HydrophobicContact CE1-CD1 3.54Å; F11-L43 HydrophobicContact CE1-CD2 3.98Å; F11-L43 HydrophobicContact CE1-CG 4.44Å; L19-L43 HydrophobicContact CD1-CD1 4.34Å; A38-L43 CarbonylContact C-O 3.59Å; A38-L43 WeakPolarHBondContact CB-O 3.38Å; A38-L43 PolarHBondContact O-N 3.35Å; A38-L43 VanDerWaalsContact O-O 3.14Å; I41-L43 HydrophobicContact CD1-CD1 3.7Å; I41-L43 HydrophobicContact CD1-CG 4.42Å; I41-L43 HydrophobicContact CG1-CB 4.24Å; I41-L43 HydrophobicContact CG1-CD1 3.8Å; I41-L43 HydrophobicContact CG1-CG 3.95Å; I41-L43 PolarHBondContact O-N 3.14Å; L43-R47 HydrophobicContact CB-CB 4.45Å; L43-V48 HydrophobicContact CB-CG2 4.32Å; L43-V48 HydrophobicContact CD1-CG2 4.46Å
44	T	98	Very high	98.4	Very high	83 Å²	83	60.9 Å²	60.9	51%	0.509	31%	0.307	S	S	.	.			trans	-85.1	148.3	166.8	75	0	0	0	0	109.6	A46 R47 V48	T44-A46 PolarHBondContact O-N 3.43Å; T44-A46 VanDerWaalsContact O-N 3.12Å; T44-R47 WeakPolarHBondContact O-CA 3.48Å; T44-R47 WeakPolarHBondContact O-CB 3.46Å; T44-R47 PolarHBondContact O-N 2.98Å; T44-R47 WeakPolarHBondContact OG1-CG 3.39Å; T44-R47 PolarHBondContact OG1-N 3.49Å; T44-V48 PolarHBondContact O-N 3.46Å
45	E	98.6	Very high	98.3	Very high	47 Å²	47	61.1 Å²	61.1	22%	0.22	31%	0.308	C	S	.	.	H	α-helix	trans	-47.5	-44.8	173.4	-178.6	-76.3	155.8	0	0	111.5	I31 R34 E35 R47 V48 Q49	I31-E45 HydrophobicContact CD1-CG 3.95Å; R34-E45 HydrophobicContact CB-CG 4.06Å; R34-E45 IonicContact CZ-OE1 3.96Å; R34-E45 VanDerWaalsContact CZ-OE1 3.23Å; R34-E45 IonicContact NE-OE1 3.1Å; R34-E45 PolarHBondContact NE-OE1 3.16Å; R34-E45 IonicContact NH2-OE1 3.78Å; R34-E45 PolarHBondContact NH2-OE1 3.17Å; E35-E45 HydrophobicContact CG-CB 4.22Å; E35-E45 HydrophobicContact CG-CG 3.87Å; E45-R47 PolarHBondContact O-N 2.97Å; E45-R47 VanDerWaalsContact O-N 3.13Å; E45-V48 CarbonylContact O-C 3.53Å; E45-V48 WeakPolarHBondContact O-CA 3.47Å; E45-V48 WeakPolarHBondContact O-CB 3.44Å; E45-V48 PolarHBondContact O-N 3.1Å; E45-Q49 PolarHBondContact O-N 3.47Å
46	A	97.8	Very high	98.3	Very high	44 Å²	44	59.1 Å²	59.1	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-29.3	178.9	0	0	0	0	0	113.7	T44 V50	T44-A46 PolarHBondContact O-N 3.43Å; T44-A46 VanDerWaalsContact O-N 3.12Å; A46-V50 VanDerWaalsContact O-CG2 3.23Å; A46-V50 WeakPolarHBondContact O-CG2 3.27Å; A46-V50 PolarHBondContact O-N 3.24Å; A46-V50 VanDerWaalsContact O-N 3.11Å
47	R	98.1	Very high	98.2	Very high	46 Å²	46	56.4 Å²	56.4	17%	0.174	29%	0.287	C	S	.	.	H	α-helix	trans	-75.7	-40	175.7	-67.6	-61.9	173.3	166.6	11.1	111.2	T9 L43 T44 E45 V50 W51	T9-R47 WeakPolarHBondContact OG1-CD 3.47Å; T9-R47 PolarHBondContact OG1-NE 2.91Å; T9-R47 VanDerWaalsContact OG1-NE 3.1Å; T9-R47 PolarHBondContact OG1-NH1 3.45Å; T9-R47 PolarHBondContact OG1-NH2 2.89Å; L43-R47 HydrophobicContact CB-CB 4.45Å; T44-R47 WeakPolarHBondContact O-CA 3.48Å; T44-R47 WeakPolarHBondContact O-CB 3.46Å; T44-R47 PolarHBondContact O-N 2.98Å; T44-R47 WeakPolarHBondContact OG1-CG 3.39Å; T44-R47 PolarHBondContact OG1-N 3.49Å; E45-R47 PolarHBondContact O-N 2.97Å; E45-R47 VanDerWaalsContact O-N 3.13Å; R47-V50 PolarHBondContact O-N 2.93Å; R47-W51 WeakPolarHBondContact O-CB 3.36Å; R47-W51 PolarHBondContact O-N 3.35Å
48	V	98.6	Very high	98.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-49.9	171.2	178.5	0	0	0	0	109.7	L19 R34 L37 A38 L43 T44 E45 V50 W51 F52	L19-V48 HydrophobicContact CD2-CG1 4.2Å; L19-V48 HydrophobicContact CD2-CG2 4.42Å; R34-V48 HydrophobicContact CB-CG1 4.16Å; R34-V48 HydrophobicContact CG-CG1 4.04Å; L37-V48 HydrophobicContact CD2-CG1 3.95Å; L37-V48 HydrophobicContact CG-CG1 4.48Å; A38-V48 HydrophobicContact CB-CG2 3.73Å; L43-V48 HydrophobicContact CB-CG2 4.32Å; L43-V48 HydrophobicContact CD1-CG2 4.46Å; T44-V48 PolarHBondContact O-N 3.46Å; E45-V48 CarbonylContact O-C 3.53Å; E45-V48 WeakPolarHBondContact O-CA 3.47Å; E45-V48 WeakPolarHBondContact O-CB 3.44Å; E45-V48 PolarHBondContact O-N 3.1Å; V48-V50 PolarHBondContact O-N 3.41Å; V48-W51 WeakPolarHBondContact O-CB 3.36Å; V48-W51 PolarHBondContact O-N 3.11Å; V48-W51 VanDerWaalsContact O-N 3.09Å; V48-F52 HydrophobicContact CG1-CD2 3.65Å; V48-F52 HydrophobicContact CG1-CE2 3.65Å; V48-F52 WeakPolarHBondContact O-CD2 3.2Å; V48-F52 PolarHBondContact O-N 3.23Å
49	Q	98.5	Very high	98	Very high	93 Å²	93	66.5 Å²	66.5	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-54.1	-48.4	176.9	-176.8	176.9	-94.5	0	0	112.8	E45 F52 Q53	E45-Q49 PolarHBondContact O-N 3.47Å; Q49-F52 PolarHBondContact O-N 2.87Å; Q49-Q53 PolarHBondContact O-N 3.13Å
50	V	98.3	Very high	97.8	Very high	60 Å²	60	66 Å²	66	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-65.5	-39.3	178.2	170.5	0	0	0	0	111.4	A46 R47 V48 Q53 N54	A46-V50 VanDerWaalsContact O-CG2 3.23Å; A46-V50 WeakPolarHBondContact O-CG2 3.27Å; A46-V50 PolarHBondContact O-N 3.24Å; A46-V50 VanDerWaalsContact O-N 3.11Å; R47-V50 PolarHBondContact O-N 2.93Å; V48-V50 PolarHBondContact O-N 3.41Å; V50-Q53 PolarHBondContact O-N 3.39Å; V50-N54 PolarHBondContact O-N 3.02Å; V50-N54 PolarHBondContact O-ND2 3.42Å
51	W	98.5	Very high	97.4	Very high	28 Å²	28	66.8 Å²	66.8	11%	0.106	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-49.5	175.5	-174.6	98.8	0	0	0	111	F11 L19 F23 R47 V48 Q53 N54 R55	F11-W51 AromaticContact CE2-CD1 3.62Å; F11-W51 HydrophobicContact CZ-CB 4.33Å; F11-W51 AromaticContact CZ-CD1 3.96Å; L19-W51 HydrophobicContact CB-CD2 3.94Å; L19-W51 HydrophobicContact CB-CE3 3.97Å; L19-W51 HydrophobicContact CB-CH2 3.71Å; L19-W51 HydrophobicContact CB-CZ2 3.63Å; L19-W51 HydrophobicContact CB-CZ3 3.87Å; L19-W51 HydrophobicContact CD1-CD2 3.96Å; L19-W51 HydrophobicContact CD1-CG 3.89Å; L19-W51 HydrophobicContact CD2-CD2 3.96Å; L19-W51 HydrophobicContact CD2-CE3 3.88Å; L19-W51 HydrophobicContact CD2-CG 4.23Å; L19-W51 HydrophobicContact CD2-CZ3 4.45Å; L19-W51 HydrophobicContact CG-CD2 4.18Å; L19-W51 HydrophobicContact CG-CE3 4.39Å; L19-W51 WeakPolarHBondContact O-CH2 3.39Å; L19-W51 WeakPolarHBondContact O-CZ3 3.21Å; F23-W51 HydrophobicContact CB-CH2 4.13Å; F23-W51 HydrophobicContact CB-CZ3 4.08Å; F23-W51 HydrophobicContact CD2-CZ3 4.19Å; F23-W51 HydrophobicContact CG-CZ3 4.4Å; R47-W51 WeakPolarHBondContact O-CB 3.36Å; R47-W51 PolarHBondContact O-N 3.35Å; V48-W51 WeakPolarHBondContact O-CB 3.36Å; V48-W51 PolarHBondContact O-N 3.11Å; V48-W51 VanDerWaalsContact O-N 3.09Å; W51-Q53 VanDerWaalsContact C-N 3.32Å; W51-Q53 PolarHBondContact O-N 2.79Å; W51-N54 PolarHBondContact O-N 2.96Å; W51-N54 VanDerWaalsContact O-N 3.14Å; W51-R55 HydrophobicContact CD2-CB 4.41Å; W51-R55 HydrophobicContact CE3-CB 4.04Å; W51-R55 HydrophobicContact CH2-CB 3.93Å; W51-R55 HydrophobicContact CH2-CG 3.62Å; W51-R55 HydrophobicContact CZ2-CB 4.34Å; W51-R55 HydrophobicContact CZ2-CG 4.23Å; W51-R55 HydrophobicContact CZ3-CB 3.78Å; W51-R55 HydrophobicContact CZ3-CG 3.83Å; W51-R55 WeakPolarHBondContact O-CB 3.28Å; W51-R55 PolarHBondContact O-N 2.9Å
52	F	98.8	Very high	96.6	Very high	1 Å²	1	70.2 Å²	70.2	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-60.6	-39.3	177.5	-89.7	-90.3	0	0	0	112.2	L19 A22 F23 T26 P29 L37 V48 Q49 R55 R56	L19-F52 HydrophobicContact CD2-CE2 4.17Å; A22-F52 HydrophobicContact CB-CZ 4.04Å; F23-F52 HydrophobicContact CB-CE1 4.2Å; F23-F52 AromaticContact CD2-CD1 3.8Å; F23-F52 HydrophobicContact CD2-CD1 3.8Å; F23-F52 AromaticContact CD2-CE1 3.81Å; F23-F52 HydrophobicContact CD2-CE1 3.81Å; F23-F52 HydrophobicContact CE2-CD1 4.43Å; T26-F52 WeakPolarHBondContact O-CE1 3.45Å; P29-F52 VanDerWaalsContact CD-CD1 3.46Å; P29-F52 HydrophobicContact CG-CD1 3.68Å; P29-F52 HydrophobicContact CG-CD2 4.06Å; P29-F52 HydrophobicContact CG-CE1 3.57Å; P29-F52 HydrophobicContact CG-CE2 3.97Å; P29-F52 HydrophobicContact CG-CG 3.94Å; P29-F52 HydrophobicContact CG-CZ 3.73Å; L37-F52 HydrophobicContact CD2-CE2 3.84Å; L37-F52 HydrophobicContact CD2-CZ 4.23Å; V48-F52 HydrophobicContact CG1-CD2 3.65Å; V48-F52 HydrophobicContact CG1-CE2 3.65Å; V48-F52 WeakPolarHBondContact O-CD2 3.2Å; V48-F52 PolarHBondContact O-N 3.23Å; Q49-F52 PolarHBondContact O-N 2.87Å; F52-R55 PolarHBondContact O-N 3.39Å; F52-R56 WeakPolarHBondContact O-CB 3.2Å; F52-R56 WeakPolarHBondContact O-CG 3.39Å; F52-R56 PolarHBondContact O-N 2.89Å
53	Q	98.4	Very high	95	Very high	117 Å²	117	70.9 Å²	70.9	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-46.4	174.7	-175.9	178.3	81	0	0	111.8	Q49 V50 W51 A57	Q49-Q53 PolarHBondContact O-N 3.13Å; V50-Q53 PolarHBondContact O-N 3.39Å; W51-Q53 VanDerWaalsContact C-N 3.32Å; W51-Q53 PolarHBondContact O-N 2.79Å; Q53-A57 WeakPolarHBondContact O-CB 3.5Å; Q53-A57 PolarHBondContact O-N 2.94Å
54	N	98.3	Very high	93.5	Very high	92 Å²	92	78 Å²	78	49%	0.492	37%	0.371	S	S	.	.	H	α-helix	trans	-67.4	-40.9	177.9	-72.4	-27.6	0	0	0	112	V50 W51 A57 K58	V50-N54 PolarHBondContact O-N 3.02Å; V50-N54 PolarHBondContact O-ND2 3.42Å; W51-N54 PolarHBondContact O-N 2.96Å; W51-N54 VanDerWaalsContact O-N 3.14Å; N54-A57 WeakPolarHBondContact O-CB 3.15Å; N54-A57 PolarHBondContact O-N 3.45Å; N54-A57 VanDerWaalsContact O-N 3.14Å; N54-K58 PolarHBondContact O-N 3.01Å
55	R	98.3	Very high	91.9	Very high	41 Å²	41	79.9 Å²	79.9	16%	0.155	38%	0.382	C	S	.	.	H	α-helix	trans	-63.3	-44	177.8	-176.2	65.9	-173.4	87.5	-2	111.5	E20 F23 W51 F52 A57 K58 F59	E20-R55 IonicContact OE1-CZ 3.35Å; E20-R55 IonicContact OE1-NE 3.14Å; E20-R55 PolarHBondContact OE1-NE 3.31Å; E20-R55 VanDerWaalsContact OE1-NE 3.14Å; E20-R55 IonicContact OE1-NH2 2.71Å; E20-R55 PolarHBondContact OE1-NH2 3.44Å; E20-R55 WeakPolarHBondContact OE2-CD 3.34Å; E20-R55 IonicContact OE2-CZ 3.78Å; E20-R55 IonicContact OE2-NE 2.82Å; E20-R55 PolarHBondContact OE2-NE 3.04Å; E20-R55 IonicContact OE2-NH2 3.85Å; F23-R55 HydrophobicContact CD1-CG 3.88Å; F23-R55 HydrophobicContact CD2-CB 4.15Å; F23-R55 HydrophobicContact CD2-CG 3.49Å; F23-R55 VanDerWaalsContact CD2-CG 3.49Å; F23-R55 HydrophobicContact CE1-CG 3.81Å; F23-R55 HydrophobicContact CE2-CB 3.96Å; F23-R55 HydrophobicContact CE2-CG 3.42Å; F23-R55 VanDerWaalsContact CE2-CG 3.42Å; F23-R55 HydrophobicContact CG-CG 3.74Å; F23-R55 HydrophobicContact CZ-CB 4.45Å; F23-R55 HydrophobicContact CZ-CG 3.59Å; W51-R55 HydrophobicContact CD2-CB 4.41Å; W51-R55 HydrophobicContact CE3-CB 4.04Å; W51-R55 HydrophobicContact CH2-CB 3.93Å; W51-R55 HydrophobicContact CH2-CG 3.62Å; W51-R55 HydrophobicContact CZ2-CB 4.34Å; W51-R55 HydrophobicContact CZ2-CG 4.23Å; W51-R55 HydrophobicContact CZ3-CB 3.78Å; W51-R55 HydrophobicContact CZ3-CG 3.83Å; W51-R55 WeakPolarHBondContact O-CB 3.28Å; W51-R55 PolarHBondContact O-N 2.9Å; F52-R55 PolarHBondContact O-N 3.39Å; R55-A57 VanDerWaalsContact C-N 3.31Å; R55-A57 PolarHBondContact O-N 3.14Å; R55-K58 PolarHBondContact O-N 3.37Å; R55-F59 WeakPolarHBondContact O-CB 3.36Å; R55-F59 PolarHBondContact O-N 2.92Å
56	R	98.2	Very high	90.2	Very high	47 Å²	47	83.6 Å²	83.6	18%	0.177	40%	0.402	C	S	.	.	H	α-helix	trans	-61.7	-37.1	171.2	-73.5	-166	-62.4	-88.7	1.2	112.4	F23 H27 Y28 F52 F59 R60	F23-R56 HydrophobicContact CE2-CG 3.88Å; F23-R56 HydrophobicContact CZ-CG 4.36Å; H27-R56 HydrophobicContact CB-CG 4.35Å; H27-R56 WeakPolarHBondContact O-CD 3.15Å; H27-R56 PolarHBondContact O-NH1 2.97Å; Y28-R56 VanDerWaalsContact CE1-CD 3.48Å; Y28-R56 VanDerWaalsContact CZ-CD 3.5Å; F52-R56 WeakPolarHBondContact O-CB 3.2Å; F52-R56 WeakPolarHBondContact O-CG 3.39Å; F52-R56 PolarHBondContact O-N 2.89Å; R56-F59 PolarHBondContact O-N 3.42Å; R56-R60 WeakPolarHBondContact O-CG 3.45Å; R56-R60 PolarHBondContact O-N 3.3Å; R56-R60 PolarHBondContact O-NH1 3.26Å
57	A	97.2	Very high	88.3	Confident	33 Å²	33	89.5 Å²	89.5	27%	0.273	42%	0.422	S	S	.	.	H	α-helix	trans	-65.2	-41.1	176.2	0	0	0	0	0	111.8	Q53 N54 R55 K61	Q53-A57 WeakPolarHBondContact O-CB 3.5Å; Q53-A57 PolarHBondContact O-N 2.94Å; N54-A57 WeakPolarHBondContact O-CB 3.15Å; N54-A57 PolarHBondContact O-N 3.45Å; N54-A57 VanDerWaalsContact O-N 3.14Å; R55-A57 VanDerWaalsContact C-N 3.31Å; R55-A57 PolarHBondContact O-N 3.14Å; A57-K61 WeakPolarHBondContact O-CG 3.28Å; A57-K61 PolarHBondContact O-N 3.03Å
58	K	96.5	Very high	86.5	Confident	121 Å²	121	91.8 Å²	91.8	53%	0.526	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-47.9	171.6	-71.1	-171.5	174	-166.3	0	111.4	N54 R55 R60 K61 T62 D131	N54-K58 PolarHBondContact O-N 3.01Å; R55-K58 PolarHBondContact O-N 3.37Å; K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 3.21Å; K58-K61 WeakPolarHBondContact O-CA 3.39Å; K58-K61 WeakPolarHBondContact O-CB 3.23Å; K58-K61 PolarHBondContact O-N 3.44Å; K58-T62 PolarHBondContact O-N 3.36Å; K58-T62 PolarHBondContact O-OG1 3.47Å; K58-D131 IonicContact NZ-OD2 2.74Å
59	F	95.2	Very high	84.3	Confident	96 Å²	96	99.7 Å²	99.7	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-54	-46.7	179.1	-177.6	-99.2	0	0	0	112.4	F23 H27 R55 R56 K61 T62	F23-F59 HydrophobicContact CE1-CD2 4.31Å; F23-F59 HydrophobicContact CZ-CB 4.19Å; F23-F59 HydrophobicContact CZ-CG 4.4Å; H27-F59 AromaticContact CE1-CE1 3.93Å; H27-F59 AromaticContact CE1-CE2 3.96Å; H27-F59 AromaticContact CE1-CZ 3.68Å; R55-F59 WeakPolarHBondContact O-CB 3.36Å; R55-F59 PolarHBondContact O-N 2.92Å; R56-F59 PolarHBondContact O-N 3.42Å; F59-K61 PolarHBondContact O-N 2.8Å; F59-T62 PolarHBondContact O-N 2.74Å
60	R	94.7	Very high	82.2	Confident	127 Å²	127	100.9 Å²	100.9	48%	0.479	50%	0.499	S	S	.	.	H	α-helix	trans	-70.4	-11.2	175.9	-67.3	-165.4	-48.8	-80.8	-2.4	115.1	R56 K58 R64	R56-R60 WeakPolarHBondContact O-CG 3.45Å; R56-R60 PolarHBondContact O-N 3.3Å; R56-R60 PolarHBondContact O-NH1 3.26Å; K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 3.21Å; R60-R64 PolarHBondContact O-NH1 2.94Å
61	K	89.8	Confident	80	Confident	144 Å²	144	104 Å²	104	63%	0.626	52%	0.518	S	S	*	.	H	α-helix	trans	-86.1	-36.4	175.5	-76.2	178.3	178.5	-169.9	0	111	A57 K58 F59 E63 R64	A57-K61 WeakPolarHBondContact O-CG 3.28Å; A57-K61 PolarHBondContact O-N 3.03Å; K58-K61 WeakPolarHBondContact O-CA 3.39Å; K58-K61 WeakPolarHBondContact O-CB 3.23Å; K58-K61 PolarHBondContact O-N 3.44Å; F59-K61 PolarHBondContact O-N 2.8Å; K61-E63 VanDerWaalsContact C-N 3.27Å; K61-E63 PolarHBondContact O-N 3.36Å; K61-R64 PolarHBondContact O-N 3.21Å
62	T	80.7	Confident	77.6	Confident	82 Å²	82	108.2 Å²	108.2	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-61	-33.6	-177.6	-51.3	0	0	0	0	112.8	K58 F59 R64 V65	K58-T62 PolarHBondContact O-N 3.36Å; K58-T62 PolarHBondContact O-OG1 3.47Å; F59-T62 PolarHBondContact O-N 2.74Å; T62-R64 PolarHBondContact O-N 3.22Å; T62-R64 VanDerWaalsContact O-N 3.16Å; T62-V65 PolarHBondContact O-N 2.75Å
63	E	64.6	Low	75.1	Confident	157 Å²	157	113.5 Å²	113.5	73%	0.734	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-19.4	179	-164.9	171.6	-159.3	0	0	114.2	K61	K61-E63 VanDerWaalsContact C-N 3.27Å; K61-E63 PolarHBondContact O-N 3.36Å
64	R	66.3	Low	72.8	Confident	179 Å²	179	114.4 Å²	114.4	68%	0.675	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-6.6	-178.9	-62.6	-166	-170.5	74.8	8.3	114.7	R60 K61 T62	R60-R64 PolarHBondContact O-NH1 2.94Å; K61-R64 PolarHBondContact O-N 3.21Å; T62-R64 PolarHBondContact O-N 3.22Å; T62-R64 VanDerWaalsContact O-N 3.16Å
65	V	65.4	Low	70.3	Confident	123 Å²	123	114.8 Å²	114.8	75%	0.745	61%	0.605	S	S	*	*	S	Bend	trans	-101.7	-9.7	-174.6	-174.8	0	0	0	0	112.1	T62 Q67	T62-V65 PolarHBondContact O-N 2.75Å; V65-Q67 VanDerWaalsContact C-N 3.33Å; V65-Q67 PolarHBondContact O-N 3.45Å
66	I	62.5	Low	68	Low	125 Å²	125	118.4 Å²	118.4	64%	0.641	64%	0.637	S	S	*	*			trans	-99.2	53.2	176.4	-44.1	175.5	0	0	0	109.6
67	Q	58.3	Low	65.9	Low	167 Å²	167	120.7 Å²	120.7	78%	0.78	66%	0.66	S	S	*	*			trans	-113	102.1	152.3	-79.8	-171.3	85.9	0	0	105.7	V65 D69	V65-Q67 VanDerWaalsContact C-N 3.33Å; V65-Q67 PolarHBondContact O-N 3.45Å; Q67-D69 PolarHBondContact O-N 3.34Å
68	P	58.9	Low	64	Low	95 Å²	95	125.7 Å²	125.7	62%	0.617	68%	0.681	S	S	*	*			trans	-66.5	122.4	173.1	27.3	-30.8	0	0	0	107.8	T70	P68-T70 HydrophobicContact CB-CG2 4.27Å; P68-T70 HydrophobicContact CG-CG2 4.31Å; P68-T70 PolarHBondContact O-N 3.07Å; P68-T70 PolarHBondContact O-OG1 3.41Å
69	D	52.3	Low	61.7	Low	166 Å²	166	126.1 Å²	126.1	89%	0.888	70%	0.696	S	S	*	*			trans	-52.7	92.8	164.2	-67.8	-47	0	0	0	108.4	Q67	Q67-D69 PolarHBondContact O-N 3.34Å
70	T	55.3	Low	59.6	Low	118 Å²	118	128.9 Å²	128.9	72%	0.724	71%	0.714	S	S	*	*			trans	-106.6	58.2	176.3	40.7	0	0	0	0	108.1	P68	P68-T70 HydrophobicContact CB-CG2 4.27Å; P68-T70 HydrophobicContact CG-CG2 4.31Å; P68-T70 PolarHBondContact O-N 3.07Å; P68-T70 PolarHBondContact O-OG1 3.41Å
71	T	51.7	Low	57.3	Low	125 Å²	125	129.5 Å²	129.5	77%	0.767	73%	0.726	S	S	*	*	S	Bend	trans	-153.8	110.8	158	4.7	0	0	0	0	109.7
72	T	47.3	Very low	55	Low	117 Å²	117	130.6 Å²	130.6	72%	0.718	74%	0.736	S	S	*	*			trans	89	84.7	139.6	-33.7	0	0	0	0	117.4
73	T	47.7	Very low	53.3	Low	112 Å²	112	133.2 Å²	133.2	69%	0.687	75%	0.747	S	S	*	*			trans	47.5	118.9	133.2	57.9	0	0	0	0	119.6	S75	T73-S75 PolarHBondContact O-N 3.04Å
74	P	49.7	Very low	52.4	Low	135 Å²	135	132.5 Å²	132.5	88%	0.877	75%	0.748	S	S	*	*			trans	-80.3	84.9	163.8	33.8	-28.2	0	0	0	108.8
75	S	46.7	Very low	51.6	Low	100 Å²	100	131.7 Å²	131.7	70%	0.699	76%	0.755	S	S	*	*			trans	-92.5	110.9	163.9	-168.8	0	0	0	0	109	T73 S77	T73-S75 PolarHBondContact O-N 3.04Å; S75-S77 PolarHBondContact O-N 3.49Å
76	S	49.4	Very low	50.5	Low	117 Å²	117	133.6 Å²	133.6	82%	0.818	76%	0.756	S	S	*	*			trans	-49	112.8	167.5	-50.9	0	0	0	0	111.8
77	S	54.2	Low	50.2	Low	96 Å²	96	135.4 Å²	135.4	67%	0.671	76%	0.762	S	S	*	*			trans	-177.6	113.8	150.4	47.5	0	0	0	0	112.7	S75	S75-S77 PolarHBondContact O-N 3.49Å
78	I	57	Low	49.4	Very low	138 Å²	138	134.4 Å²	134.4	71%	0.708	76%	0.762	S	S	*	*			trans	57.9	117.3	140.2	-45.6	180	0	0	0	118.1	I80	I78-I80 HydrophobicContact CG2-CG1 3.93Å; I78-I80 PolarHBondContact O-N 2.75Å
79	P	48.4	Very low	48.7	Very low	130 Å²	130	135.2 Å²	135.2	84%	0.844	77%	0.767	S	S	*	*			trans	-75.4	106.7	166.4	31.3	-28.4	0	0	0	108.9
80	I	50.3	Low	48.2	Very low	153 Å²	153	132.7 Å²	132.7	79%	0.785	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-93.3	118.6	169.6	-55.2	179	0	0	0	108.5	I78	I78-I80 HydrophobicContact CG2-CG1 3.93Å; I78-I80 PolarHBondContact O-N 2.75Å
81	N	46	Very low	47.7	Very low	140 Å²	140	134.9 Å²	134.9	75%	0.749	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-56	128.9	176	-171	18.1	0	0	0	111.6	N83	N81-N83 PolarHBondContact O-N 3.26Å
82	M	41.9	Very low	47.1	Very low	167 Å²	167	135.6 Å²	135.6	82%	0.823	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-66.2	117.7	166.7	-76.8	-78.5	-175.8	0	0	108.6
83	N	45.2	Very low	46.9	Very low	137 Å²	137	138 Å²	138	73%	0.733	78%	0.781	S	S	*	*			trans	-178.8	131.9	143.9	-85.4	-22.4	0	0	0	110.3	N81	N81-N83 PolarHBondContact O-N 3.26Å
84	N	45.3	Very low	46.7	Very low	143 Å²	143	138.5 Å²	138.5	77%	0.765	78%	0.784	S	S	*	*			trans	75.3	114.1	161	-54.6	-11.2	0	0	0	117.5
85	I	50.2	Low	46.3	Very low	161 Å²	161	140.7 Å²	140.7	83%	0.826	78%	0.783	S	S	*	*				169.3	93.7	112.8	-79.8	154.3	0	0	0	107.8
86	E	42.8	Very low	45.9	Very low	163 Å²	163	143.5 Å²	143.5	76%	0.762	79%	0.789	S	S	*	*				4.2	113.7	127.8	-126.6	172.7	-144.6	0	0	116.4
87	H	55.9	Low	45.7	Very low	163 Å²	163	143.7 Å²	143.7	76%	0.755	79%	0.786	S	S	*	*				155.4	124.2	125.7	-86.5	69.5	0	0	0	113.8
88	N	41.3	Very low	44.8	Very low	147 Å²	147	144.7 Å²	144.7	79%	0.786	79%	0.792	S	S	*	*			trans	89.8	115.8	142.7	-136.4	6.1	0	0	0	119.9
89	P	45.4	Very low	44.3	Very low	111 Å²	111	143.9 Å²	143.9	72%	0.721	80%	0.796	S	S	*	*			trans	-93.4	146.1	177.1	36.3	-29.8	0	0	0	112
90	S	41.6	Very low	43.9	Very low	113 Å²	113	145.1 Å²	145.1	79%	0.79	80%	0.796	S	S	*	*			trans	-152.8	101.5	163.4	-75.7	0	0	0	0	110.9
91	L	44.2	Very low	43.3	Very low	165 Å²	165	145.2 Å²	145.2	86%	0.864	80%	0.798	S	S	*	*			trans	23.3	121.1	138.1	-55.9	171.5	0	0	0	118.1
92	T	39.7	Very low	43	Very low	140 Å²	140	143.7 Å²	143.7	86%	0.859	80%	0.798	S	S	*	*				-169.9	112.4	124.2	19.9	0	0	0	0	110.7
93	N	41.4	Very low	42.9	Very low	166 Å²	166	143.3 Å²	143.3	89%	0.888	80%	0.798	S	S	*	*			trans	-70.6	133.6	165.8	-83	-19.4	0	0	0	109.7
94	V	44.9	Very low	42.8	Very low	124 Å²	124	148.2 Å²	148.2	75%	0.752	81%	0.808	S	S	*	*			trans	-126.3	107	155.3	179.3	0	0	0	0	107.6	L96	V94-L96 HydrophobicContact CG1-CD1 4.1Å
95	Q	39.7	Very low	42.7	Very low	181 Å²	181	146.2 Å²	146.2	85%	0.846	80%	0.797	S	S	*	*			trans	-81.2	116.7	167.7	-178.3	131.4	-52.9	0	0	107.7
96	L	39.6	Very low	42.5	Very low	158 Å²	158	144.6 Å²	144.6	83%	0.827	80%	0.797	S	S	*	*			trans	-114.2	124.1	163.8	-125.2	80.5	0	0	0	108.7	V94	V94-L96 HydrophobicContact CG1-CD1 4.1Å
97	T	44	Very low	42.6	Very low	122 Å²	122	145 Å²	145	75%	0.748	80%	0.796	S	S	*	*			trans	-71.3	141.1	-175.1	47.2	0	0	0	0	112.4
98	S	36.5	Very low	42	Very low	116 Å²	116	144.2 Å²	144.2	81%	0.811	80%	0.797	S	S	*	*			trans	-55.1	158.3	171	-47.3	0	0	0	0	113
99	P	45.7	Very low	42	Very low	121 Å²	121	145 Å²	145	79%	0.786	80%	0.8	S	S	*	*				-141.3	150.3	108.9	35.7	-21	0	0	0	115.2
100	D	40.2	Very low	41.8	Very low	157 Å²	157	144.5 Å²	144.5	84%	0.84	80%	0.799	S	S	*	*			trans	88.8	120	142.8	-107.5	-22.3	0	0	0	123.2
101	N	39	Very low	41.9	Very low	155 Å²	155	144.6 Å²	144.6	83%	0.829	80%	0.8	S	S	*	*			trans	-76.6	139.5	166.8	-69	-53	0	0	0	109.4
102	S	38.4	Very low	42.3	Very low	108 Å²	108	141 Å²	141	76%	0.755	79%	0.785	S	S	*	*			trans	152	109.4	145.4	171.1	0	0	0	0	107.8
103	I	40.8	Very low	42.9	Very low	159 Å²	159	137.3 Å²	137.3	82%	0.815	76%	0.764	S	S	*	*			trans	-178.8	64.3	140.6	-82.6	144.6	0	0	0	105.3
104	Y	41.9	Very low	43.7	Very low	239 Å²	239	136.1 Å²	136.1	94%	0.937	76%	0.757	S	S	*	*			trans	-100.8	93.5	147.2	-105.7	-85.4	0	0	0	104.6
105	N	43.5	Very low	44.8	Very low	102 Å²	102	135.5 Å²	135.5	55%	0.545	75%	0.75	S	S	.	*			trans	-122.7	100.5	168.7	-170.5	7.2	0	0	0	108.1	K107	N105-K107 PolarHBondContact O-N 2.76Å
106	P	47	Very low	46.2	Very low	127 Å²	127	131.3 Å²	131.3	83%	0.825	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	32.4	-179.1	32.8	-33.2	0	0	0	112.7
107	K	44.6	Very low	47	Very low	170 Å²	170	129.4 Å²	129.4	74%	0.739	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	9.5	-175.8	-72.9	-174.6	176.7	173.5	0	115.8	N105	N105-K107 PolarHBondContact O-N 2.76Å
108	L	42.4	Very low	47.9	Very low	148 Å²	148	129 Å²	129	78%	0.775	71%	0.713	S	S	*	*			trans	-123	70.7	173.1	-66.7	-175.9	0	0	0	111.3
109	L	42	Very low	49.5	Very low	164 Å²	164	130.4 Å²	130.4	86%	0.859	71%	0.705	S	S	*	*			trans	-130.7	63.5	157.5	-160.2	71.8	0	0	0	107.8
110	S	39.8	Very low	50.6	Low	99 Å²	99	129.7 Å²	129.7	69%	0.692	69%	0.694	S	S	*	*			trans	-138	60.2	175.4	65.2	0	0	0	0	109.1
111	S	43.9	Very low	51.8	Low	116 Å²	116	126.9 Å²	126.9	81%	0.811	68%	0.675	S	S	*	*			trans	179.5	62.5	159.3	59.6	0	0	0	0	109.7
112	V	52.5	Low	53.3	Low	90 Å²	90	127.2 Å²	127.2	55%	0.545	67%	0.669	S	S	.	*			trans	-76.1	120	156.3	-81.8	0	0	0	0	106.3	L114 Q117	V112-L114 PolarHBondContact O-N 2.63Å; V112-Q117 HydrophobicContact CG2-CG 4.24Å
113	S	52.7	Low	54.6	Low	61 Å²	61	125.1 Å²	125.1	43%	0.427	66%	0.659	S	S	.	*			trans	-55.1	137.4	174.2	-170.4	0	0	0	0	108.6	D115 D116	S113-D115 PolarHBondContact O-N 3.26Å; S113-D116 PolarHBondContact O-N 3.22Å
114	L	59.7	Low	55.6	Low	141 Å²	141	121 Å²	121	74%	0.738	64%	0.638	S	S	*	*	H	α-helix	trans	-52.4	-28.8	178.1	-75.5	166.3	0	0	0	111.7	V112 D116 Q117 D118	V112-L114 PolarHBondContact O-N 2.63Å; L114-D116 PolarHBondContact O-N 2.8Å; L114-Q117 PolarHBondContact O-N 3.37Å; L114-D118 PolarHBondContact O-N 2.9Å
115	D	68	Low	56.4	Low	112 Å²	112	112.9 Å²	112.9	60%	0.599	61%	0.611	S	S	*	*	H	α-helix	trans	-67.5	-29.1	176.7	-62.8	-43.1	0	0	0	114.2	S113 K119	S113-D115 PolarHBondContact O-N 3.26Å; D115-K119 WeakPolarHBondContact O-CG 3.47Å; D115-K119 PolarHBondContact O-N 3.16Å; D115-K119 VanDerWaalsContact O-N 3.14Å
116	D	67.2	Low	57.3	Low	92 Å²	92	111 Å²	111	49%	0.492	61%	0.609	S	S	.	*	H	α-helix	trans	-81.8	-31.8	-179.8	-69.6	-34.6	0	0	0	111.7	S113 L114 L120	S113-D116 PolarHBondContact O-N 3.22Å; L114-D116 PolarHBondContact O-N 2.8Å; D116-L120 PolarHBondContact O-N 3.35Å; D116-L120 VanDerWaalsContact O-N 3.07Å
117	Q	56.3	Low	57.5	Low	118 Å²	118	113.3 Å²	113.3	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-66.2	-41.2	170.4	-79	-160.1	-43.2	0	0	111.6	V112 L114 L120 H121	V112-Q117 HydrophobicContact CG2-CG 4.24Å; L114-Q117 PolarHBondContact O-N 3.37Å; Q117-L120 PolarHBondContact O-N 2.99Å; Q117-H121 WeakPolarHBondContact O-CB 3.37Å; Q117-H121 PolarHBondContact O-N 3.42Å
118	D	63.5	Low	57.9	Low	113 Å²	113	108.7 Å²	108.7	60%	0.604	59%	0.586	S	S	*	*	H	α-helix	trans	-67.3	-36.5	177.7	-99.6	3.9	0	0	0	112.5	L114 H121 K122	L114-D118 PolarHBondContact O-N 2.9Å; D118-H121 PolarHBondContact O-N 3.24Å; D118-K122 WeakPolarHBondContact O-CB 3.38Å; D118-K122 PolarHBondContact O-N 3.14Å
119	K	70.1	Confident	58.5	Low	147 Å²	147	104.6 Å²	104.6	64%	0.639	57%	0.567	S	S	*	*	H	α-helix	trans	-64.5	-40.7	171.9	-79.9	178	-174.7	175.1	0	112.1	D115 A123	D115-K119 WeakPolarHBondContact O-CG 3.47Å; D115-K119 PolarHBondContact O-N 3.16Å; D115-K119 VanDerWaalsContact O-N 3.14Å; K119-A123 WeakPolarHBondContact O-CB 3.5Å; K119-A123 PolarHBondContact O-N 3.34Å
120	L	69.8	Low	58.7	Low	106 Å²	106	103.7 Å²	103.7	56%	0.555	56%	0.56	S	S	*	*	H	α-helix	trans	-64.5	-42.8	175.8	-155.2	95.9	0	0	0	110.9	D116 Q117 A123 I124	D116-L120 PolarHBondContact O-N 3.35Å; D116-L120 VanDerWaalsContact O-N 3.07Å; Q117-L120 PolarHBondContact O-N 2.99Å; L120-A123 PolarHBondContact O-N 3.02Å; L120-I124 HydrophobicContact CD2-CD1 4.09Å; L120-I124 HydrophobicContact CG-CD1 4.24Å; L120-I124 WeakPolarHBondContact O-CD1 3.42Å; L120-I124 WeakPolarHBondContact O-CG1 3.18Å; L120-I124 PolarHBondContact O-N 2.92Å
121	H	64.4	Low	59.1	Low	97 Å²	97	102.8 Å²	102.8	45%	0.449	55%	0.548	S	S	.	.	H	α-helix	trans	-63	-45.9	177.6	-156.3	86.1	0	0	0	111.5	Q117 D118 A123 I124 D125	Q117-H121 WeakPolarHBondContact O-CB 3.37Å; Q117-H121 PolarHBondContact O-N 3.42Å; D118-H121 PolarHBondContact O-N 3.24Å; H121-A123 PolarHBondContact O-N 3.22Å; H121-I124 PolarHBondContact O-N 2.82Å; H121-D125 IonicContact CD2-OD2 3.2Å; H121-D125 PolarHBondContact CD2-OD2 3.39Å; H121-D125 IonicContact NE2-OD2 3.7Å; H121-D125 PolarHBondContact O-N 3.24Å
122	K	70.7	Confident	59.3	Low	162 Å²	162	103.3 Å²	103.3	70%	0.704	54%	0.535	S	S	*	.	H	α-helix	trans	-61.2	-39.9	175.4	-109.1	172.1	-179.6	167.8	0	113.4	D118 I124 D125 A126	D118-K122 WeakPolarHBondContact O-CB 3.38Å; D118-K122 PolarHBondContact O-N 3.14Å; K122-I124 VanDerWaalsContact C-N 3.33Å; K122-D125 PolarHBondContact O-N 2.9Å; K122-A126 WeakPolarHBondContact O-CB 3.33Å; K122-A126 PolarHBondContact O-N 2.95Å
123	A	65	Low	58.7	Low	65 Å²	65	106.5 Å²	106.5	54%	0.537	54%	0.539	S	S	.	.	H	α-helix	trans	-66.5	-38.3	177.1	0	0	0	0	0	111.6	K119 L120 H121 Y127	K119-A123 WeakPolarHBondContact O-CB 3.5Å; K119-A123 PolarHBondContact O-N 3.34Å; L120-A123 PolarHBondContact O-N 3.02Å; H121-A123 PolarHBondContact O-N 3.22Å; A123-Y127 PolarHBondContact O-N 3.06Å
124	I	62.1	Low	58.3	Low	72 Å²	72	111 Å²	111	37%	0.369	55%	0.553	S	S	.	*	H	α-helix	trans	-66.3	-43.7	175	-68.4	164.3	0	0	0	110.7	L120 H121 K122 Y127 N128	L120-I124 HydrophobicContact CD2-CD1 4.09Å; L120-I124 HydrophobicContact CG-CD1 4.24Å; L120-I124 WeakPolarHBondContact O-CD1 3.42Å; L120-I124 WeakPolarHBondContact O-CG1 3.18Å; L120-I124 PolarHBondContact O-N 2.92Å; H121-I124 PolarHBondContact O-N 2.82Å; K122-I124 VanDerWaalsContact C-N 3.33Å; I124-Y127 PolarHBondContact O-N 3.32Å; I124-N128 VanDerWaalsContact O-CG 3.25Å; I124-N128 PolarHBondContact O-N 3.09Å; I124-N128 PolarHBondContact O-ND2 3.03Å
125	D	60.2	Low	57.8	Low	69 Å²	69	107.7 Å²	107.7	37%	0.369	54%	0.539	S	S	.	.	H	α-helix	trans	-66.6	-38.7	178.9	-72	-24.1	0	0	0	113.3	H121 K122 Y127 N128 T129	H121-D125 IonicContact CD2-OD2 3.2Å; H121-D125 PolarHBondContact CD2-OD2 3.39Å; H121-D125 IonicContact NE2-OD2 3.7Å; H121-D125 PolarHBondContact O-N 3.24Å; K122-D125 PolarHBondContact O-N 2.9Å; D125-Y127 VanDerWaalsContact C-N 3.31Å; D125-Y127 PolarHBondContact O-N 3.24Å; D125-N128 PolarHBondContact O-N 3.43Å; D125-T129 WeakPolarHBondContact O-CB 3.4Å; D125-T129 PolarHBondContact O-N 3.39Å; D125-T129 PolarHBondContact O-OG1 3.29Å
126	A	61.6	Low	56.6	Low	62 Å²	62	106.5 Å²	106.5	51%	0.512	53%	0.532	S	S	.	.	H	α-helix	trans	-62.9	-40.1	174.4	0	0	0	0	0	111.3	K122 T129 M130	K122-A126 WeakPolarHBondContact O-CB 3.33Å; K122-A126 PolarHBondContact O-N 2.95Å; A126-T129 PolarHBondContact O-N 2.92Å; A126-M130 PolarHBondContact O-N 3Å
127	Y	50.4	Low	55.7	Low	175 Å²	175	106.7 Å²	106.7	69%	0.686	54%	0.537	S	S	*	.	H	α-helix	trans	-69	-37.5	176.6	-162.9	-89.6	0	0	0	112.1	A123 I124 D125 T129 M130	A123-Y127 PolarHBondContact O-N 3.06Å; I124-Y127 PolarHBondContact O-N 3.32Å; D125-Y127 VanDerWaalsContact C-N 3.31Å; D125-Y127 PolarHBondContact O-N 3.24Å; Y127-T129 VanDerWaalsContact C-N 3.29Å; Y127-T129 PolarHBondContact O-N 3.48Å; Y127-M130 PolarHBondContact O-N 3.43Å
128	N	53.7	Low	55.5	Low	73 Å²	73	105.1 Å²	105.1	39%	0.39	54%	0.536	S	S	.	.	H	α-helix	trans	-69.9	-25.2	174.7	-68.6	-31.1	0	0	0	113	I124 D125	I124-N128 VanDerWaalsContact O-CG 3.25Å; I124-N128 PolarHBondContact O-N 3.09Å; I124-N128 PolarHBondContact O-ND2 3.03Å; D125-N128 PolarHBondContact O-N 3.43Å
129	T	54.8	Low	54.9	Low	62 Å²	62	103.1 Å²	103.1	38%	0.38	53%	0.525	S	S	.	.	H	α-helix	trans	-75.2	-31.1	177.8	-62.1	0	0	0	0	112.3	D125 A126 Y127 D131 K132 Y133	D125-T129 WeakPolarHBondContact O-CB 3.4Å; D125-T129 PolarHBondContact O-N 3.39Å; D125-T129 PolarHBondContact O-OG1 3.29Å; A126-T129 PolarHBondContact O-N 2.92Å; Y127-T129 VanDerWaalsContact C-N 3.29Å; Y127-T129 PolarHBondContact O-N 3.48Å; T129-D131 PolarHBondContact O-N 3.17Å; T129-K132 WeakPolarHBondContact O-CB 3.28Å; T129-K132 PolarHBondContact O-N 3.03Å; T129-K132 VanDerWaalsContact O-N 3.14Å; T129-Y133 HydrophobicContact CG2-CE2 3.92Å; T129-Y133 WeakPolarHBondContact O-CD2 3.26Å; T129-Y133 WeakPolarHBondContact O-CE2 3.45Å
130	M	46.6	Very low	54	Low	145 Å²	145	101.8 Å²	101.8	71%	0.714	53%	0.525	S	S	*	.	H	α-helix	trans	-67.1	-32.5	178.3	-82.2	-146	73	0	0	113.9	A126 Y127 K132 Y133	A126-M130 PolarHBondContact O-N 3Å; Y127-M130 PolarHBondContact O-N 3.43Å; M130-K132 PolarHBondContact O-N 2.94Å; M130-Y133 PolarHBondContact O-N 2.8Å
131	D	47.8	Very low	53.2	Low	81 Å²	81	101.8 Å²	101.8	43%	0.433	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.2	174.6	-90.4	-8	0	0	0	112.1	K58 T129 Y133	K58-D131 IonicContact NZ-OD2 2.74Å; T129-D131 PolarHBondContact O-N 3.17Å; D131-Y133 VanDerWaalsContact C-N 3.28Å; D131-Y133 PolarHBondContact O-N 3.25Å
132	K	47.5	Very low	52.8	Low	126 Å²	126	101.8 Å²	101.8	55%	0.548	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-18.3	-176.5	-153.5	-179.2	-176.7	-173.5	0	113.5	T129 M130 N136	T129-K132 WeakPolarHBondContact O-CB 3.28Å; T129-K132 PolarHBondContact O-N 3.03Å; T129-K132 VanDerWaalsContact O-N 3.14Å; M130-K132 PolarHBondContact O-N 2.94Å; K132-N136 PolarHBondContact O-ND2 3.41Å
133	Y	40.9	Very low	52	Low	158 Å²	158	99 Å²	99	62%	0.62	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-16.3	-175.9	-54.3	-74.9	0	0	0	113.8	T129 M130 D131	T129-Y133 HydrophobicContact CG2-CE2 3.92Å; T129-Y133 WeakPolarHBondContact O-CD2 3.26Å; T129-Y133 WeakPolarHBondContact O-CE2 3.45Å; M130-Y133 PolarHBondContact O-N 2.8Å; D131-Y133 VanDerWaalsContact C-N 3.28Å; D131-Y133 PolarHBondContact O-N 3.25Å
134	E	44.5	Very low	51.5	Low	155 Å²	155	106 Å²	106	72%	0.724	53%	0.533	S	S	*	.	H	α-helix	trans	-89.4	-23	179	-116.8	176.6	178	0	0	113.3	T138	E134-T138 PolarHBondContact O-OG1 3.49Å
135	T	49.1	Very low	51.2	Low	71 Å²	71	109.5 Å²	109.5	44%	0.436	55%	0.55	S	S	.	.	H	α-helix	trans	-88.3	-17.6	-177.6	58.5	0	0	0	0	114.5	N139	T135-N139 PolarHBondContact O-ND2 3.33Å
136	N	42.9	Very low	51.2	Low	87 Å²	87	113.8 Å²	113.8	47%	0.465	57%	0.565	S	S	.	*	H	α-helix	trans	-82.5	-34.2	-174	-63.9	-16	0	0	0	112	K132 T138 D140	K132-N136 PolarHBondContact O-ND2 3.41Å; N136-T138 PolarHBondContact O-N 3.19Å; N136-D140 PolarHBondContact O-N 3.14Å
137	T	47.6	Very low	50.6	Low	97 Å²	97	119.3 Å²	119.3	60%	0.595	58%	0.58	S	S	*	*	H	α-helix	trans	-69.9	-32.4	-178.8	-50.1	0	0	0	0	113.4
138	T	52.1	Low	50.6	Low	85 Å²	85	116.3 Å²	116.3	52%	0.521	58%	0.58	S	S	.	*	H	α-helix	trans	-83.1	-30	-179.7	25.1	0	0	0	0	113.3	E134 N136 L142	E134-T138 PolarHBondContact O-OG1 3.49Å; N136-T138 PolarHBondContact O-N 3.19Å; T138-L142 PolarHBondContact O-N 2.91Å
139	N	51.4	Low	50.1	Low	71 Å²	71	120.2 Å²	120.2	38%	0.38	60%	0.601	S	S	.	*	H	α-helix	trans	-79.6	-32.7	179	-71.7	-49.4	0	0	0	112.6	T135 L142 N143	T135-N139 PolarHBondContact O-ND2 3.33Å; N139-L142 PolarHBondContact O-N 3.12Å; N139-N143 PolarHBondContact O-N 2.84Å; N139-N143 VanDerWaalsContact O-N 3.07Å
140	D	50.5	Low	50	Low	118 Å²	118	124.9 Å²	124.9	63%	0.631	62%	0.623	S	S	*	*	H	α-helix	trans	-67.1	-36.5	174.3	-89.9	-20.8	0	0	0	112.7	N136 R144	N136-D140 PolarHBondContact O-N 3.14Å; D140-R144 WeakPolarHBondContact O-CB 3.23Å; D140-R144 PolarHBondContact O-N 3.14Å
141	L	54	Low	49.8	Very low	107 Å²	107	123.7 Å²	123.7	56%	0.56	63%	0.626	S	S	*	*	H	α-helix	trans	-70	-32	175.2	-71.1	173.2	0	0	0	112.6	M145	L141-M145 WeakPolarHBondContact O-CG 3.38Å; L141-M145 PolarHBondContact O-N 3.36Å
142	L	55.9	Low	49.9	Very low	96 Å²	96	128.5 Å²	128.5	50%	0.503	65%	0.646	S	S	.	*	H	α-helix	trans	-79.5	-26.5	179.7	-113.5	132.9	0	0	0	113.6	T138 N139	T138-L142 PolarHBondContact O-N 2.91Å; N139-L142 PolarHBondContact O-N 3.12Å
143	N	54.3	Low	49.5	Very low	104 Å²	104	131.5 Å²	131.5	56%	0.556	66%	0.661	S	S	*	*	H	α-helix	trans	-84.8	-35.1	174.3	-76.1	-17.4	0	0	0	112.1	N139 M145 K146	N139-N143 PolarHBondContact O-N 2.84Å; N139-N143 VanDerWaalsContact O-N 3.07Å; N143-M145 PolarHBondContact O-N 3.16Å; N143-K146 PolarHBondContact O-N 3.34Å; N143-K146 VanDerWaalsContact O-N 3.14Å
144	R	53.5	Low	49.9	Very low	212 Å²	212	129.5 Å²	129.5	80%	0.8	67%	0.671	S	S	*	*	H	α-helix	trans	-67.3	-18.3	175.6	-167.8	171.8	171.8	-176.4	-2.6	113.9	D140	D140-R144 WeakPolarHBondContact O-CB 3.23Å; D140-R144 PolarHBondContact O-N 3.14Å
145	M	56.7	Low	49.9	Very low	146 Å²	146	127.1 Å²	127.1	72%	0.719	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-3.1	174.5	-77.1	173.2	30.2	0	0	114.4	L141 N143	L141-M145 WeakPolarHBondContact O-CG 3.38Å; L141-M145 PolarHBondContact O-N 3.36Å; N143-M145 PolarHBondContact O-N 3.16Å
146	K	60.2	Low	49.8	Very low	159 Å²	159	129.7 Å²	129.7	69%	0.691	69%	0.687	S	S	*	*	S	Bend	trans	-110.4	1.1	-173.7	-72.9	-176.2	178.3	-179.8	0	115.4	N143	N143-K146 PolarHBondContact O-N 3.34Å; N143-K146 VanDerWaalsContact O-N 3.14Å
147	E	47.6	Very low	50.1	Low	177 Å²	177	131.3 Å²	131.3	83%	0.827	71%	0.705	S	S	*	*			trans	-111.1	12.2	-174.1	-74	-167.3	158.6	0	0	115.9	D149	E147-D149 PolarHBondContact O-N 3.33Å
148	T	52.1	Low	50	Low	112 Å²	112	132.4 Å²	132.4	69%	0.687	71%	0.714	S	S	*	*			trans	-94.7	86.2	173.9	49.6	0	0	0	0	110.4
149	D	42.8	Very low	49.6	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	73%	0.733	S	S	*	*			trans	-176.6	89.2	156.6	-89.7	-30.8	0	0	0	111.2	E147	E147-D149 PolarHBondContact O-N 3.33Å
150	L	51.9	Low	48.9	Very low	160 Å²	160	138 Å²	138	84%	0.838	75%	0.747	S	S	*	*			trans	-172.1	125.1	150.4	-115.8	125	0	0	0	111.8
151	P	43	Very low	48.5	Very low	120 Å²	120	143.7 Å²	143.7	78%	0.779	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-100.1	126.2	175	34.4	-25.4	0	0	0	111.5
152	H	49.2	Very low	47.9	Very low	182 Å²	182	146 Å²	146	84%	0.843	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-97.1	128.2	168.1	-109.8	-81	0	0	0	110.9
153	Q	39.5	Very low	47.4	Very low	188 Å²	188	146.4 Å²	146.4	88%	0.879	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-80.6	136	177.4	-57.2	-179.4	18.1	0	0	110.6
154	S	49.3	Very low	47	Very low	117 Å²	117	149.4 Å²	149.4	82%	0.818	79%	0.788	S	S	*	*			trans	-149.6	120.5	157.3	53.5	0	0	0	0	110.4
155	S	44.2	Very low	46.8	Very low	105 Å²	105	146.2 Å²	146.2	73%	0.734	79%	0.786	S	S	*	*			trans	-63.3	138.6	172.9	51.6	0	0	0	0	113.3
156	T	47.1	Very low	46.1	Very low	125 Å²	125	147.7 Å²	147.7	77%	0.767	79%	0.792	S	S	*	*				160.2	112	104.6	49.8	0	0	0	0	112
157	S	48.7	Very low	45.5	Very low	121 Å²	121	148.3 Å²	148.3	85%	0.846	80%	0.802	S	S	*	*			trans	68.2	148.9	136.7	-65.4	0	0	0	0	123.9
158	P	46.2	Very low	45.3	Very low	119 Å²	119	149.7 Å²	149.7	77%	0.773	81%	0.805	S	S	*	*			trans	-125.2	158.1	-139.9	38.8	-22.3	0	0	0	114.5
159	L	42.5	Very low	45	Very low	179 Å²	179	155.1 Å²	155.1	94%	0.937	82%	0.815	S	S	*	*			trans	-139.4	122.9	161.5	-99.8	160.3	0	0	0	111.9
160	S	38.1	Very low	45.4	Very low	94 Å²	94	151.4 Å²	151.4	66%	0.657	80%	0.8	S	S	*	*			trans	-58.7	141.8	178.2	158.2	0	0	0	0	114
161	Y	42.5	Very low	45.4	Very low	238 Å²	238	151.5 Å²	151.5	93%	0.933	79%	0.794	S	S	*	*				-157.9	149.2	127.9	-111.6	-81.1	0	0	0	111.2
162	H	39.9	Very low	45.3	Very low	156 Å²	156	153 Å²	153	72%	0.722	79%	0.791	S	S	*	*			trans	-112.2	137.9	-153	-161.5	76.8	0	0	0	110.8
163	S	45.7	Very low	45.2	Very low	105 Å²	105	151.8 Å²	151.8	73%	0.734	79%	0.789	S	S	*	*			trans	172.4	103.5	148.5	-100.2	0	0	0	0	108.3
164	K	46.2	Very low	45.3	Very low	167 Å²	167	151.1 Å²	151.1	73%	0.726	79%	0.79	S	S	*	*				88.5	139.6	83.6	-80.8	-177.3	-176.6	-178.3	0	112.1
165	D	48.7	Very low	45.2	Very low	144 Å²	144	148.2 Å²	148.2	77%	0.77	78%	0.778	S	S	*	*			trans	91.1	87.1	171.4	-46	-21.7	0	0	0	114.9
166	E	42.3	Very low	45.6	Very low	178 Å²	178	148.7 Å²	148.7	83%	0.832	78%	0.778	S	S	*	*				62.3	106.1	93.2	-89.6	-164.8	134.2	0	0	114
167	L	48.1	Very low	45.5	Very low	172 Å²	172	152.6 Å²	152.6	90%	0.901	79%	0.785	S	S	*	*				-172.4	120	112.2	-95.2	159	0	0	0	110.8
168	K	43.8	Very low	46	Very low	206 Å²	206	155.4 Å²	155.4	90%	0.896	78%	0.782	S	S	*	*			trans	-62.8	129.2	169.5	-84.9	163.1	163.9	175.6	0	110.7
169	Y	45.7	Very low	46	Very low	226 Å²	226	159.2 Å²	159.2	89%	0.886	79%	0.787	S	S	*	*			trans	-139.3	102.3	143.6	-159.5	-101.7	0	0	0	109.5
170	S	50.4	Low	45.9	Very low	77 Å²	77	157 Å²	157	54%	0.538	78%	0.781	S	S	.	*			trans	-35.3	160.3	154.7	45.4	0	0	0	0	113.8
171	K	51.2	Low	46.1	Very low	163 Å²	163	156 Å²	156	71%	0.709	79%	0.785	S	S	*	*			cis	-178.7	146.8	3	-112.2	176.3	167.9	-159	0	104.3
172	E	41.9	Very low	46.3	Very low	150 Å²	150	153.2 Å²	153.2	70%	0.701	78%	0.781	S	S	*	*			trans	60.4	122.5	143.6	-60.4	161.7	-156.7	0	0	115.8
173	I	46.1	Very low	46.5	Very low	157 Å²	157	153.4 Å²	153.4	81%	0.805	78%	0.784	S	S	*	*				-163.1	114.7	63.8	-70.1	173.5	0	0	0	107.5
174	I	42.8	Very low	46.8	Very low	175 Å²	175	157 Å²	157	90%	0.897	79%	0.786	S	S	*	*			trans	-122.2	99.3	158	-66.6	170.6	0	0	0	105.8
175	G	47.9	Very low	46.9	Very low	55 Å²	55	157.3 Å²	157.3	57%	0.567	79%	0.788	S	S	*	*			trans	-82.6	148.3	173.2	0	0	0	0	0	111.4
176	P	51.8	Low	46.8	Very low	115 Å²	115	155 Å²	155	75%	0.747	78%	0.783	S	S	*	*			trans	-78.8	127	-177	31.8	-31.5	0	0	0	110.5	K178	P176-K178 PolarHBondContact O-N 3.26Å
177	F	45.7	Very low	46.8	Very low	207 Å²	207	154.3 Å²	154.3	91%	0.908	79%	0.785	S	S	*	*			trans	-71.3	99.7	173	-158	-96.3	0	0	0	109.1	K179	F177-K179 PolarHBondContact O-N 3Å
178	K	58.1	Low	46.5	Very low	180 Å²	180	154 Å²	154	78%	0.783	78%	0.779	S	S	*	*			trans	-69.9	117.5	175.3	-69.6	-167.7	179.5	-173.8	0	110.1	P176 T180	P176-K178 PolarHBondContact O-N 3.26Å; K178-T180 PolarHBondContact O-N 3.07Å
179	K	47.2	Very low	46.6	Very low	200 Å²	200	153.1 Å²	153.1	87%	0.87	78%	0.775	S	S	*	*			trans	-81.4	91.6	173.9	-170.8	176.8	-170.5	177.6	0	109.2	F177	F177-K179 PolarHBondContact O-N 3Å
180	T	39.8	Very low	46.8	Very low	132 Å²	132	153.5 Å²	153.5	81%	0.81	78%	0.777	S	S	*	*			trans	-150.5	111.6	167.9	52.1	0	0	0	0	110.2	K178	K178-T180 PolarHBondContact O-N 3.07Å
181	G	42.5	Very low	47.3	Very low	73 Å²	73	154.3 Å²	154.3	75%	0.753	78%	0.78	S	S	*	*			trans	170.4	73.2	176.3	0	0	0	0	0	110.6	M183	G181-M183 VanDerWaalsContact C-N 3.34Å; G181-M183 PolarHBondContact O-N 2.8Å
182	Q	46.2	Very low	47.3	Very low	180 Å²	180	151.3 Å²	151.3	84%	0.841	78%	0.778	S	S	*	*			trans	-64.2	98.4	162.5	-77.7	-152.2	-8.5	0	0	108.3	K184	Q182-K184 PolarHBondContact O-N 2.76Å
183	M	43.7	Very low	47.7	Very low	159 Å²	159	152.9 Å²	152.9	78%	0.783	79%	0.79	S	S	*	*			trans	-74.2	99.1	161.3	-86.2	176.6	70.9	0	0	107.6	G181 F185	G181-M183 VanDerWaalsContact C-N 3.34Å; G181-M183 PolarHBondContact O-N 2.8Å; M183-F185 PolarHBondContact O-N 3.12Å
184	K	52.5	Low	47.7	Very low	180 Å²	180	153.1 Å²	153.1	78%	0.783	79%	0.785	S	S	*	*			trans	-65	109.8	162	-69.3	179.4	178.3	-179.6	0	107.2	Q182 S186	Q182-K184 PolarHBondContact O-N 2.76Å; K184-S186 PolarHBondContact O-N 3.13Å; K184-S186 VanDerWaalsContact O-N 3.16Å
185	F	48.7	Very low	47.8	Very low	174 Å²	174	152.1 Å²	152.1	76%	0.763	78%	0.782	S	S	*	*			trans	-72.4	97.8	163.7	-86.6	-92.7	0	0	0	107.4	M183 N187	M183-F185 PolarHBondContact O-N 3.12Å; F185-N187 PolarHBondContact O-N 3.11Å
186	S	47.2	Very low	47.5	Very low	96 Å²	96	154.5 Å²	154.5	67%	0.671	79%	0.79	S	S	*	*			trans	-73	117.3	159.9	44.5	0	0	0	0	107.9	K184 E188	K184-S186 PolarHBondContact O-N 3.13Å; K184-S186 VanDerWaalsContact O-N 3.16Å; S186-E188 PolarHBondContact O-N 3.38Å
187	N	41.1	Very low	47.2	Very low	163 Å²	163	154.6 Å²	154.6	87%	0.872	79%	0.79	S	S	*	*			trans	-70.5	70.5	170.1	-84.1	-11.8	0	0	0	109.7	F185	F185-N187 PolarHBondContact O-N 3.11Å
188	E	42.7	Very low	47	Very low	165 Å²	165	153.7 Å²	153.7	77%	0.771	79%	0.786	S	S	*	*			trans	-145.7	62.9	179	-75	-173.8	158.2	0	0	111	S186	S186-E188 PolarHBondContact O-N 3.38Å
189	F	45.5	Very low	46	Very low	188 Å²	188	150.8 Å²	150.8	83%	0.825	79%	0.788	S	S	*	*			trans	-163.9	68.1	158.4	-142.1	-102.9	0	0	0	112.8
190	Y	48.9	Very low	45.9	Very low	234 Å²	234	147.7 Å²	147.7	92%	0.918	79%	0.786	S	S	*	*			trans	-115.8	112.6	155.5	-82.1	-80.8	0	0	0	108
191	P	61.9	Low	45.9	Very low	94 Å²	94	150 Å²	150	61%	0.61	79%	0.79	S	S	*	*			trans	-69.2	144	170	29.5	-31.3	0	0	0	108.9	L193	P191-L193 PolarHBondContact O-N 2.82Å
192	P	50.3	Low	46	Very low	101 Å²	101	154.5 Å²	154.5	66%	0.656	79%	0.791	S	S	*	*			trans	-69.8	125.5	-178.6	27.9	-30.4	0	0	0	109.3	K194	P192-K194 VanDerWaalsContact C-N 3.33Å; P192-K194 PolarHBondContact O-N 3.1Å
193	L	52.3	Low	46	Very low	183 Å²	183	154.5 Å²	154.5	96%	0.958	79%	0.789	S	S	*	*			trans	-62.8	97	166.2	-92.1	121.7	0	0	0	108.2	P191	P191-L193 PolarHBondContact O-N 2.82Å
194	K	45.5	Very low	46	Very low	161 Å²	161	152.6 Å²	152.6	70%	0.7	79%	0.791	S	S	*	*			trans	-85.2	144	162.7	-56	-175.5	-175.7	-173.3	0	107.4	P192	P192-K194 VanDerWaalsContact C-N 3.33Å; P192-K194 PolarHBondContact O-N 3.1Å
195	D	44.4	Very low	45.5	Very low	155 Å²	155	151.1 Å²	151.1	83%	0.829	79%	0.791	S	S	*	*			trans	88.3	72.8	169.1	-43.3	-32.2	0	0	0	116.2
196	S	42.7	Very low	45.6	Very low	105 Å²	105	149 Å²	149	73%	0.734	79%	0.793	S	S	*	*			trans	-79.3	117.1	153.1	176.8	0	0	0	0	108.9	F198	S196-F198 VanDerWaalsContact C-N 3.25Å; S196-F198 PolarHBondContact O-N 3.21Å; S196-F198 VanDerWaalsContact O-N 3.1Å
197	P	45.6	Very low	45.6	Very low	117 Å²	117	152 Å²	152	76%	0.76	80%	0.801	S	S	*	*	S	Bend	trans	-89	58.4	-179.3	36.9	-33.1	0	0	0	110
198	F	39.5	Very low	45.9	Very low	188 Å²	188	152 Å²	152	83%	0.825	80%	0.795	S	S	*	*			trans	-155.7	72.4	173.8	-101.2	-80.6	0	0	0	110.8	S196	S196-F198 VanDerWaalsContact C-N 3.25Å; S196-F198 PolarHBondContact O-N 3.21Å; S196-F198 VanDerWaalsContact O-N 3.1Å
199	S	38.9	Very low	45.9	Very low	118 Å²	118	151.2 Å²	151.2	83%	0.825	79%	0.791	S	S	*	*			trans	-167.9	113.7	158.4	-97	0	0	0	0	109.3
200	V	43.5	Very low	45.5	Very low	136 Å²	136	146.9 Å²	146.9	82%	0.824	78%	0.784	S	S	*	*			trans	160.4	102.8	148.9	159.4	0	0	0	0	105.9
201	M	40.7	Very low	45.3	Very low	179 Å²	179	143.9 Å²	143.9	88%	0.882	78%	0.782	S	S	*	*			trans	-171.6	98.2	131.6	-131.4	107.9	80.4	0	0	109.2
202	Q	45.3	Very low	44.4	Very low	169 Å²	169	146.9 Å²	146.9	79%	0.79	79%	0.792	S	S	*	*			trans	-137.1	122.3	155.9	-95.5	-168	0.3	0	0	108.4
203	K	44.6	Very low	43.9	Very low	180 Å²	180	147.3 Å²	147.3	78%	0.783	79%	0.794	S	S	*	*			trans	70.3	106.5	149.9	-56.9	172.7	-177.6	179	0	117.8
204	S	45.4	Very low	43.2	Very low	118 Å²	118	143.5 Å²	143.5	83%	0.825	78%	0.783	S	S	*	*				174.9	144.6	97.6	52.7	0	0	0	0	111.9
205	D	41.4	Very low	43.1	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	79%	0.792	S	S	*	*			trans	-53.2	140.8	-177	-53.2	-70.5	0	0	0	115.5
206	T	50.2	Low	42.8	Very low	129 Å²	129	143.5 Å²	143.5	79%	0.791	79%	0.789	S	S	*	*				169.7	126.5	119.5	26.9	0	0	0	0	113.4
207	L	47	Very low	42.7	Very low	161 Å²	161	148.5 Å²	148.5	84%	0.843	79%	0.793	S	S	*	*			trans	62.8	110.8	141.5	-62.1	172.7	0	0	0	122.1
208	H	47.2	Very low	43	Very low	163 Å²	163	147.8 Å²	147.8	76%	0.755	78%	0.782	S	S	*	*				88.6	110.8	127.3	-148.2	-119.7	0	0	0	121
209	H	44.2	Very low	43.2	Very low	147 Å²	147	143.2 Å²	143.2	68%	0.681	77%	0.766	S	S	*	*			trans	72.4	105.1	150.5	-88.6	-44.3	0	0	0	123.3
210	S	36.5	Very low	43.3	Very low	97 Å²	97	148.1 Å²	148.1	68%	0.678	77%	0.767	S	S	*	*				45.9	107.9	128.5	-67.2	0	0	0	0	119.4
211	I	43.8	Very low	43.3	Very low	171 Å²	171	145.9 Å²	145.9	88%	0.877	76%	0.757	S	S	*	*				-162.4	117.7	120.7	-84.8	139.2	0	0	0	107.1
212	I	43.5	Very low	43.2	Very low	158 Å²	158	143.1 Å²	143.1	81%	0.81	75%	0.746	S	S	*	*			trans	-82.5	140.7	175.9	-69.9	170.5	0	0	0	107.8
213	P	39.8	Very low	43.1	Very low	109 Å²	109	141.5 Å²	141.5	71%	0.708	75%	0.75	S	S	*	*				-150.2	139.2	92.3	32.9	-9.8	0	0	0	119.4
214	S	38	Very low	42.8	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	74%	0.744	S	S	*	*			trans	75.2	100	139.8	71.2	0	0	0	0	119.8
215	K	42.3	Very low	42.5	Very low	206 Å²	206	142.1 Å²	142.1	90%	0.896	74%	0.743	S	S	*	*				-172	98.9	120.8	-101.8	171.7	-176.1	-178.9	0	107.8	Y217	K215-Y217 PolarHBondContact O-N 3.38Å; K215-Y217 VanDerWaalsContact O-N 3.14Å
216	S	39.6	Very low	42.3	Very low	109 Å²	109	144 Å²	144	76%	0.762	75%	0.747	S	S	*	*			trans	-66	106.6	169.2	40.2	0	0	0	0	109	I218	S216-I218 PolarHBondContact O-N 3.43Å
217	Y	38.8	Very low	41.7	Very low	210 Å²	210	141.3 Å²	141.3	82%	0.824	75%	0.745	S	S	*	*			trans	-73.2	106.4	157.8	-174.6	-96.1	0	0	0	106.6	K215 D219	K215-Y217 PolarHBondContact O-N 3.38Å; K215-Y217 VanDerWaalsContact O-N 3.14Å; Y217-D219 HydrophobicContact CE1-CB 4.39Å
218	I	53.2	Low	41.2	Very low	102 Å²	102	140.2 Å²	140.2	52%	0.523	74%	0.74	S	S	.	*			trans	-86.2	110	172.2	-63.7	167.2	0	0	0	106.4	S216 W220	S216-I218 PolarHBondContact O-N 3.43Å; I218-W220 HydrophobicContact CG2-CD2 4.06Å; I218-W220 HydrophobicContact CG2-CG 4.34Å; I218-W220 HydrophobicContact CG2-CZ2 3.8Å; I218-W220 VanDerWaalsContact O-CD1 3.22Å
219	D	42.6	Very low	40.8	Very low	92 Å²	92	140.1 Å²	140.1	49%	0.492	75%	0.745	S	S	.	*			trans	-75	119.7	168.2	-178.5	9.2	0	0	0	108.9	Y217 S221	Y217-D219 HydrophobicContact CE1-CB 4.39Å; D219-S221 VanDerWaalsContact C-N 3.33Å; D219-S221 VanDerWaalsContact OD1-CB 3.23Å; D219-S221 WeakPolarHBondContact OD1-CB 3.36Å; D219-S221 PolarHBondContact OD1-N 3.21Å; D219-S221 PolarHBondContact OD1-OG 3.1Å
220	W	41.1	Very low	40.7	Very low	222 Å²	222	140.4 Å²	140.4	84%	0.841	75%	0.751	S	S	*	*			trans	-94.7	14.4	-178.5	-70.7	94.3	0	0	0	112.9	I218	I218-W220 HydrophobicContact CG2-CD2 4.06Å; I218-W220 HydrophobicContact CG2-CG 4.34Å; I218-W220 HydrophobicContact CG2-CZ2 3.8Å; I218-W220 VanDerWaalsContact O-CD1 3.22Å
221	S	44.7	Very low	40.7	Very low	89 Å²	89	141.5 Å²	141.5	62%	0.622	76%	0.759	S	S	*	*	S	Bend	trans	-110.5	29.8	-166.8	-37.7	0	0	0	0	114.9	D219	D219-S221 VanDerWaalsContact C-N 3.33Å; D219-S221 VanDerWaalsContact OD1-CB 3.23Å; D219-S221 WeakPolarHBondContact OD1-CB 3.36Å; D219-S221 PolarHBondContact OD1-N 3.21Å; D219-S221 PolarHBondContact OD1-OG 3.1Å
222	N	38.7	Very low	40.7	Very low	120 Å²	120	140.5 Å²	140.5	64%	0.642	75%	0.754	S	S	*	*			trans	-156.4	111.1	171	-83	-53.9	0	0	0	112.8	C224	N222-C224 VanDerWaalsContact C-N 3.31Å; N222-C224 PolarHBondContact O-N 3.2Å
223	P	43.4	Very low	40.5	Very low	135 Å²	135	139 Å²	139	88%	0.877	75%	0.748	S	S	*	*			trans	-80.8	85.5	154.3	30.7	-23.7	0	0	0	107.6	R225	P223-R225 PolarHBondContact O-N 2.95Å
224	C	37.5	Very low	40.4	Very low	96 Å²	96	140 Å²	140	65%	0.649	75%	0.747	S	S	*	*			trans	-72.3	112.9	172.4	-83.2	0	0	0	0	110.4	N222	N222-C224 VanDerWaalsContact C-N 3.31Å; N222-C224 PolarHBondContact O-N 3.2Å
225	R	40.2	Very low	40.6	Very low	216 Å²	216	141.9 Å²	141.9	82%	0.815	75%	0.749	S	S	*	*				66.5	110.3	127.7	-66	-171.8	173.2	-124.9	1.2	118.9	P223	P223-R225 PolarHBondContact O-N 2.95Å
226	Q	36	Very low	40.3	Very low	189 Å²	189	140 Å²	140	88%	0.883	75%	0.747	S	S	*	*				37.4	109.9	103.1	-127.6	153.2	6.8	0	0	116.2
227	G	38.2	Very low	40.5	Very low	71 Å²	71	142.6 Å²	142.6	73%	0.732	75%	0.749	S	S	*	*			trans	-165.9	108.7	163.4	0	0	0	0	0	107.1
228	D	35.4	Very low	40.5	Very low	139 Å²	139	139.2 Å²	139.2	74%	0.743	75%	0.745	S	S	*	*			trans	-53.2	152.3	179.3	-51.1	-64.1	0	0	0	111.7
229	N	39.9	Very low	39.5	Very low	161 Å²	161	139.7 Å²	139.7	86%	0.861	76%	0.757	S	S	*	*				170.8	139.5	128	-81.5	-38.9	0	0	0	111.4
230	D	41.6	Very low	39.2	Very low	153 Å²	153	141.3 Å²	141.3	82%	0.818	77%	0.771	S	S	*	*			trans	-61.3	150.7	-169.4	-64.9	-65.9	0	0	0	116	I232	D230-I232 PolarHBondContact O-N 2.95Å
231	S	37	Very low	38.8	Very low	119 Å²	119	136.9 Å²	136.9	83%	0.832	77%	0.768	S	S	*	*			trans	-45.8	106	160.9	178	0	0	0	0	113
232	I	42.3	Very low	38.4	Very low	150 Å²	150	139.2 Å²	139.2	77%	0.769	77%	0.772	S	S	*	*			trans	-141.5	110.9	153.8	-64	-172.7	0	0	0	111	D230	D230-I232 PolarHBondContact O-N 2.95Å
233	N	39.6	Very low	38.1	Very low	128 Å²	128	139.4 Å²	139.4	68%	0.684	78%	0.778	S	S	*	*			trans	57.1	110	145.3	-75	-32.5	0	0	0	122.2
234	N	39.2	Very low	37.7	Very low	129 Å²	129	138 Å²	138	69%	0.69	77%	0.767	S	S	*	*				55.7	123.9	107.6	-68.5	-35.2	0	0	0	120.6
235	N	40.5	Very low	37.6	Very low	144 Å²	144	140.1 Å²	140.1	77%	0.77	78%	0.777	S	S	*	*			trans	69.7	110.4	142.9	-67.7	-20.3	0	0	0	118
236	I	37.5	Very low	37.6	Very low	166 Å²	166	135.6 Å²	135.6	85%	0.851	77%	0.774	S	S	*	*				-178.7	91	125.3	-85.7	147.7	0	0	0	104.8
237	M	42.5	Very low	38	Very low	163 Å²	163	132.6 Å²	132.6	80%	0.803	76%	0.764	S	S	*	*				51.3	107.3	99.3	-93.8	-170.3	-179.2	0	0	115.2
238	N	39.7	Very low	38.3	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	77%	0.768	S	S	*	*				127.1	122	127.7	-63.6	-15.1	0	0	0	116.8
239	S	31.8	Very low	39	Very low	112 Å²	112	134 Å²	134	78%	0.783	76%	0.755	S	S	*	*			trans	91	88.2	149.5	-51.1	0	0	0	0	118
240	T	37.1	Very low	39.8	Very low	127 Å²	127	131.6 Å²	131.6	78%	0.779	75%	0.75	S	S	*	*				-178.4	109.7	109.2	-66.4	0	0	0	0	108.9	I242	T240-I242 PolarHBondContact O-N 3.28Å
241	T	31.5	Very low	40.4	Very low	128 Å²	128	132.1 Å²	132.1	79%	0.785	75%	0.753	S	S	*	*			trans	-69.9	114.9	177.5	-52	0	0	0	0	110.3	T243	T241-T243 HydrophobicContact CG2-CG2 4.16Å
242	I	37.6	Very low	41.7	Very low	138 Å²	138	129.3 Å²	129.3	71%	0.708	73%	0.728	S	S	*	*			trans	-126.5	100.8	154.2	-52.8	178.2	0	0	0	106	T240 T244	T240-I242 PolarHBondContact O-N 3.28Å; I242-T244 HydrophobicContact CG2-CG2 4.42Å; I242-T244 PolarHBondContact O-N 2.88Å; I242-T244 VanDerWaalsContact O-N 3.1Å
243	T	30.7	Very low	42.8	Very low	124 Å²	124	128 Å²	128	76%	0.761	72%	0.718	S	S	*	*			trans	-69.4	98.6	171.5	42.4	0	0	0	0	109.1	T241	T241-T243 HydrophobicContact CG2-CG2 4.16Å
244	T	35.7	Very low	44.3	Very low	106 Å²	106	126.5 Å²	126.5	65%	0.65	72%	0.716	S	S	*	*			trans	-100.9	106.9	162.7	36.5	0	0	0	0	109.1	I242 T246	I242-T244 HydrophobicContact CG2-CG2 4.42Å; I242-T244 PolarHBondContact O-N 2.88Å; I242-T244 VanDerWaalsContact O-N 3.1Å; T244-T246 VanDerWaalsContact C-N 3.3Å; T244-T246 PolarHBondContact O-N 3.43Å
245	T	35	Very low	45.9	Very low	141 Å²	141	125.5 Å²	125.5	87%	0.865	71%	0.71	S	S	*	*			trans	-62.9	88.7	167	-41.1	0	0	0	0	108.7	N247	T245-N247 PolarHBondContact O-N 3.46Å; T245-N247 VanDerWaalsContact O-N 3.12Å
246	T	41.5	Very low	47.3	Very low	121 Å²	121	124.8 Å²	124.8	74%	0.742	70%	0.698	S	S	*	*			trans	-83.7	88.1	176.7	43.1	0	0	0	0	109.8	T244	T244-T246 VanDerWaalsContact C-N 3.3Å; T244-T246 PolarHBondContact O-N 3.43Å
247	N	44.1	Very low	48.9	Very low	126 Å²	126	122.2 Å²	122.2	67%	0.674	68%	0.68	S	S	*	*			trans	-57.9	140.4	164.8	-172	-5.6	0	0	0	110.5	T245 N249	T245-N247 PolarHBondContact O-N 3.46Å; T245-N247 VanDerWaalsContact O-N 3.12Å; N247-N249 PolarHBondContact O-N 3.19Å
248	N	43.1	Very low	50.2	Low	151 Å²	151	119.3 Å²	119.3	81%	0.807	67%	0.667	S	S	*	*	S	Bend	trans	-62.3	45.5	-167.7	-69.7	-38.3	0	0	0	117	S250	N248-S250 PolarHBondContact O-N 3.5Å
249	N	50.9	Low	51.8	Low	88 Å²	88	115.8 Å²	115.8	47%	0.471	65%	0.651	S	S	.	*			trans	-97.3	32.9	-179.8	-82.4	-27.7	0	0	0	114	N247 N251 I252	N247-N249 PolarHBondContact O-N 3.19Å; N249-N251 PolarHBondContact O-N 2.94Å; N249-I252 HydrophobicContact CB-CD1 4.08Å
250	S	56.7	Low	53.4	Low	110 Å²	110	114.2 Å²	114.2	77%	0.769	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-7.5	-176	49.2	0	0	0	0	115.2	N248	N248-S250 PolarHBondContact O-N 3.5Å
251	N	55.3	Low	54.9	Low	164 Å²	164	111.8 Å²	111.8	88%	0.877	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	10.7	180	-75.8	-35.8	0	0	0	115.2	N249	N249-N251 PolarHBondContact O-N 2.94Å
252	I	62.7	Low	56.6	Low	61 Å²	61	108.7 Å²	108.7	31%	0.313	60%	0.599	S	S	.	*	S	Bend	trans	-89.7	113	178.4	-58.2	179.2	0	0	0	109.8	N249 Y256 K257	N249-I252 HydrophobicContact CB-CD1 4.08Å; I252-Y256 HydrophobicContact CG2-CD1 3.49Å; I252-Y256 VanDerWaalsContact CG2-CD1 3.49Å; I252-Y256 HydrophobicContact CG2-CE1 4.35Å; I252-Y256 HydrophobicContact CG2-CG 4.07Å; I252-K257 HydrophobicContact CG2-CG 3.84Å
253	H	66.2	Low	58	Low	121 Å²	121	109.4 Å²	109.4	56%	0.56	59%	0.593	S	S	*	*			trans	-49	133.6	177.2	-167	-95.3	0	0	0	111.5	L255 Y256 K257	H253-L255 WeakPolarHBondContact ND1-CB 3.37Å; H253-L255 PolarHBondContact ND1-N 2.93Å; H253-L255 PolarHBondContact O-N 3.28Å; H253-L255 VanDerWaalsContact O-N 3.14Å; H253-Y256 WeakPolarHBondContact O-CA 3.38Å; H253-Y256 VanDerWaalsContact O-CB 3.26Å; H253-Y256 WeakPolarHBondContact O-CB 3.46Å; H253-Y256 PolarHBondContact O-N 2.71Å; H253-K257 PolarHBondContact O-N 3.25Å
254	P	71.7	Confident	59.6	Low	98 Å²	98	108.4 Å²	108.4	64%	0.636	58%	0.58	S	S	*	*	H	α-helix	trans	-55.3	-36.8	-176.3	-25.5	32.6	0	0	0	113.5	Y256 K257 L258	P254-Y256 VanDerWaalsContact C-N 3.25Å; P254-Y256 PolarHBondContact O-N 2.88Å; P254-K257 PolarHBondContact O-N 3.45Å; P254-K257 VanDerWaalsContact O-N 3.16Å; P254-L258 PolarHBondContact O-N 3.15Å
255	L	71.8	Confident	61.2	Low	107 Å²	107	107 Å²	107	56%	0.56	57%	0.571	S	S	*	*	H	α-helix	trans	-64.4	-28.6	175.7	-62.1	-180	0	0	0	113.1	H253 T259	H253-L255 WeakPolarHBondContact ND1-CB 3.37Å; H253-L255 PolarHBondContact ND1-N 2.93Å; H253-L255 PolarHBondContact O-N 3.28Å; H253-L255 VanDerWaalsContact O-N 3.14Å; L255-T259 VanDerWaalsContact O-CB 3.29Å; L255-T259 WeakPolarHBondContact O-CB 3.36Å; L255-T259 PolarHBondContact O-N 2.98Å; L255-T259 PolarHBondContact O-OG1 3.39Å
256	Y	69.6	Low	62.5	Low	130 Å²	130	105 Å²	105	51%	0.51	56%	0.555	S	S	.	*	H	α-helix	trans	-69.5	-42.4	174.3	-173.5	-88.1	0	0	0	110.5	I252 H253 P254 T259 Q260	I252-Y256 HydrophobicContact CG2-CD1 3.49Å; I252-Y256 VanDerWaalsContact CG2-CD1 3.49Å; I252-Y256 HydrophobicContact CG2-CE1 4.35Å; I252-Y256 HydrophobicContact CG2-CG 4.07Å; H253-Y256 WeakPolarHBondContact O-CA 3.38Å; H253-Y256 VanDerWaalsContact O-CB 3.26Å; H253-Y256 WeakPolarHBondContact O-CB 3.46Å; H253-Y256 PolarHBondContact O-N 2.71Å; P254-Y256 VanDerWaalsContact C-N 3.25Å; P254-Y256 PolarHBondContact O-N 2.88Å; Y256-T259 PolarHBondContact O-N 3.03Å; Y256-Q260 HydrophobicContact CD1-CG 4.04Å; Y256-Q260 HydrophobicContact CE1-CG 3.75Å; Y256-Q260 VanDerWaalsContact O-CG 3.28Å; Y256-Q260 WeakPolarHBondContact O-CG 3.34Å; Y256-Q260 PolarHBondContact O-N 2.97Å
257	K	70.8	Confident	63.4	Low	112 Å²	112	108.5 Å²	108.5	49%	0.487	55%	0.554	S	S	.	*	H	α-helix	trans	-61.6	-44.9	174.1	-65.2	-168.9	-178.2	-173.8	0	111.3	I252 H253 P254 T259 Q260 T261	I252-K257 HydrophobicContact CG2-CG 3.84Å; H253-K257 PolarHBondContact O-N 3.25Å; P254-K257 PolarHBondContact O-N 3.45Å; P254-K257 VanDerWaalsContact O-N 3.16Å; K257-T259 PolarHBondContact O-N 3.32Å; K257-Q260 PolarHBondContact O-N 3.37Å; K257-T261 WeakPolarHBondContact O-CG2 3.36Å; K257-T261 PolarHBondContact O-N 3.03Å; K257-T261 PolarHBondContact O-OG1 2.9Å
258	L	71.4	Confident	64.4	Low	102 Å²	102	108.7 Å²	108.7	53%	0.534	56%	0.555	S	S	.	*	H	α-helix	trans	-63.9	-39.8	177	-171.7	63.9	0	0	0	112.4	P254 Q260 T261 C262	P254-L258 PolarHBondContact O-N 3.15Å; L258-Q260 VanDerWaalsContact C-N 3.33Å; L258-Q260 PolarHBondContact O-N 3.38Å; L258-T261 WeakPolarHBondContact CA-OG1 3.49Å; L258-T261 PolarHBondContact O-N 2.83Å; L258-T261 PolarHBondContact O-OG1 3.27Å; L258-C262 WeakPolarHBondContact O-CB 3.29Å; L258-C262 PolarHBondContact O-N 3.12Å; L258-C262 PolarHBondContact O-SG 2.86Å
259	T	72.5	Confident	65.3	Low	65 Å²	65	108.1 Å²	108.1	40%	0.399	55%	0.551	S	S	.	*	H	α-helix	trans	-64.7	-39.2	176.5	-59.7	0	0	0	0	111.4	L255 Y256 K257 R263	L255-T259 VanDerWaalsContact O-CB 3.29Å; L255-T259 WeakPolarHBondContact O-CB 3.36Å; L255-T259 PolarHBondContact O-N 2.98Å; L255-T259 PolarHBondContact O-OG1 3.39Å; Y256-T259 PolarHBondContact O-N 3.03Å; K257-T259 PolarHBondContact O-N 3.32Å; T259-R263 WeakPolarHBondContact O-CG 3.32Å; T259-R263 PolarHBondContact O-N 3.34Å
260	Q	65.6	Low	65.8	Low	78 Å²	78	109.1 Å²	109.1	36%	0.364	56%	0.56	S	S	.	*	H	α-helix	trans	-70.7	-40.9	177.8	-67.6	-72.1	66.6	0	0	111.9	Y256 K257 L258 R263 Q264	Y256-Q260 HydrophobicContact CD1-CG 4.04Å; Y256-Q260 HydrophobicContact CE1-CG 3.75Å; Y256-Q260 VanDerWaalsContact O-CG 3.28Å; Y256-Q260 WeakPolarHBondContact O-CG 3.34Å; Y256-Q260 PolarHBondContact O-N 2.97Å; K257-Q260 PolarHBondContact O-N 3.37Å; L258-Q260 VanDerWaalsContact C-N 3.33Å; L258-Q260 PolarHBondContact O-N 3.38Å; Q260-R263 PolarHBondContact O-N 2.99Å; Q260-Q264 PolarHBondContact O-N 3.47Å
261	T	67.9	Low	65.1	Low	76 Å²	76	107 Å²	107	47%	0.466	56%	0.555	S	S	.	*	H	α-helix	trans	-65.7	-40.3	174	53	0	0	0	0	111.5	K257 L258 R263 Q264 V265	K257-T261 WeakPolarHBondContact O-CG2 3.36Å; K257-T261 PolarHBondContact O-N 3.03Å; K257-T261 PolarHBondContact O-OG1 2.9Å; L258-T261 WeakPolarHBondContact CA-OG1 3.49Å; L258-T261 PolarHBondContact O-N 2.83Å; L258-T261 PolarHBondContact O-OG1 3.27Å; T261-R263 VanDerWaalsContact C-N 3.31Å; T261-R263 PolarHBondContact O-N 2.84Å; T261-Q264 PolarHBondContact O-N 3.14Å; T261-Q264 VanDerWaalsContact O-N 3.15Å; T261-V265 VanDerWaalsContact O-CG2 3.32Å; T261-V265 WeakPolarHBondContact O-CG2 3.37Å; T261-V265 PolarHBondContact O-N 3.1Å
262	C	67.1	Low	64.1	Low	63 Å²	63	102.5 Å²	102.5	43%	0.426	55%	0.548	S	S	.	.	H	α-helix	trans	-62.2	-34.9	173.1	-73.7	0	0	0	0	112.9	L258 N266	L258-C262 WeakPolarHBondContact O-CB 3.29Å; L258-C262 PolarHBondContact O-N 3.12Å; L258-C262 PolarHBondContact O-SG 2.86Å; C262-N266 WeakPolarHBondContact O-CB 3.45Å; C262-N266 PolarHBondContact O-N 3.28Å; C262-N266 PolarHBondContact O-ND2 3.34Å
263	R	67.2	Low	63.2	Low	153 Å²	153	103.4 Å²	103.4	58%	0.577	57%	0.565	S	S	*	*	H	α-helix	trans	-68.8	-40.3	172.4	-75.2	174.8	-174.7	158.3	0.8	111.9	T259 Q260 T261 N266 R267	T259-R263 WeakPolarHBondContact O-CG 3.32Å; T259-R263 PolarHBondContact O-N 3.34Å; Q260-R263 PolarHBondContact O-N 2.99Å; T261-R263 VanDerWaalsContact C-N 3.31Å; T261-R263 PolarHBondContact O-N 2.84Å; R263-N266 PolarHBondContact O-N 3.44Å; R263-R267 WeakPolarHBondContact O-CB 3.23Å; R263-R267 PolarHBondContact O-N 3.31Å
264	Q	64.8	Low	62.1	Low	103 Å²	103	105.7 Å²	105.7	48%	0.481	58%	0.575	S	S	.	*	H	α-helix	trans	-64.9	-42.9	176.6	-169.9	64.9	16.8	0	0	111.5	Q260 T261 R267 L268	Q260-Q264 PolarHBondContact O-N 3.47Å; T261-Q264 PolarHBondContact O-N 3.14Å; T261-Q264 VanDerWaalsContact O-N 3.15Å; Q264-R267 WeakPolarHBondContact O-CB 3.43Å; Q264-R267 PolarHBondContact O-N 3.34Å; Q264-L268 HydrophobicContact CG-CD1 4.5Å; Q264-L268 WeakPolarHBondContact O-CG 3.37Å; Q264-L268 PolarHBondContact O-N 3.04Å; Q264-L268 VanDerWaalsContact O-N 3.12Å
265	V	70	Confident	60.7	Low	77 Å²	77	108.7 Å²	108.7	47%	0.467	59%	0.586	S	S	.	*	H	α-helix	trans	-66.9	-41.2	176.4	174.7	0	0	0	0	111.2	T261 R267 L268 L269	T261-V265 VanDerWaalsContact O-CG2 3.32Å; T261-V265 WeakPolarHBondContact O-CG2 3.37Å; T261-V265 PolarHBondContact O-N 3.1Å; V265-R267 VanDerWaalsContact C-N 3.29Å; V265-R267 PolarHBondContact O-N 3.18Å; V265-L268 CarbonylContact O-C 3.58Å; V265-L268 PolarHBondContact O-N 3.1Å; V265-L268 VanDerWaalsContact O-N 3.1Å; V265-L269 HydrophobicContact CG1-CD1 4.01Å; V265-L269 PolarHBondContact O-N 3.45Å
266	N	60.8	Low	59.5	Low	100 Å²	100	109 Å²	109	54%	0.535	59%	0.592	S	S	.	*	H	α-helix	trans	-63.4	-33.5	173.5	-83.7	-60.2	0	0	0	112.8	C262 R263 L268 V270	C262-N266 WeakPolarHBondContact O-CB 3.45Å; C262-N266 PolarHBondContact O-N 3.28Å; C262-N266 PolarHBondContact O-ND2 3.34Å; R263-N266 PolarHBondContact O-N 3.44Å; N266-L268 VanDerWaalsContact C-N 3.27Å; N266-L268 PolarHBondContact O-N 3.16Å; N266-V270 WeakPolarHBondContact O-CB 3.37Å; N266-V270 PolarHBondContact O-N 3.22Å
267	R	61.4	Low	58	Low	193 Å²	193	108.5 Å²	108.5	73%	0.728	61%	0.605	S	S	*	*	H	α-helix	trans	-67.8	-28	173.8	-155.4	-177.5	-149.1	-178.9	3.9	112.7	R263 Q264 V265	R263-R267 WeakPolarHBondContact O-CB 3.23Å; R263-R267 PolarHBondContact O-N 3.31Å; Q264-R267 WeakPolarHBondContact O-CB 3.43Å; Q264-R267 PolarHBondContact O-N 3.34Å; V265-R267 VanDerWaalsContact C-N 3.29Å; V265-R267 PolarHBondContact O-N 3.18Å
268	L	65.6	Low	56.5	Low	131 Å²	131	111.1 Å²	111.1	69%	0.686	62%	0.624	S	S	*	*	H	α-helix	trans	-89	-29.2	177.9	-67.3	171.2	0	0	0	112.9	Q264 V265 N266	Q264-L268 HydrophobicContact CG-CD1 4.5Å; Q264-L268 WeakPolarHBondContact O-CG 3.37Å; Q264-L268 PolarHBondContact O-N 3.04Å; Q264-L268 VanDerWaalsContact O-N 3.12Å; V265-L268 CarbonylContact O-C 3.58Å; V265-L268 PolarHBondContact O-N 3.1Å; V265-L268 VanDerWaalsContact O-N 3.1Å; N266-L268 VanDerWaalsContact C-N 3.27Å; N266-L268 PolarHBondContact O-N 3.16Å
269	L	61.9	Low	55	Low	139 Å²	139	113.2 Å²	113.2	73%	0.728	64%	0.635	S	S	*	*	H	α-helix	trans	-87.5	-23.8	177.9	-105.3	76.7	0	0	0	113.9	V265	V265-L269 HydrophobicContact CG1-CD1 4.01Å; V265-L269 PolarHBondContact O-N 3.45Å
270	V	61.6	Low	53.4	Low	109 Å²	109	115.1 Å²	115.1	66%	0.661	65%	0.647	S	S	*	*	S	Bend	trans	-117.5	80.5	-176.9	-169.6	0	0	0	0	109.8	N266	N266-V270 WeakPolarHBondContact O-CB 3.37Å; N266-V270 PolarHBondContact O-N 3.22Å
271	G	41	Very low	52.3	Low	64 Å²	64	120.2 Å²	120.2	66%	0.66	67%	0.668	S	S	*	*			trans	86.1	74.4	156.5	0	0	0	0	0	116.5	A273	G271-A273 VanDerWaalsContact C-N 3.3Å; G271-A273 PolarHBondContact O-N 2.99Å
272	G	34.3	Very low	51.1	Low	71 Å²	71	125 Å²	125	73%	0.732	69%	0.685	S	S	*	*			trans	-70	94.2	135.8	0	0	0	0	0	108.4
273	A	44.1	Very low	50.2	Low	80 Å²	80	130.6 Å²	130.6	66%	0.661	70%	0.702	S	S	*	*			trans	-135.1	112	159.6	0	0	0	0	0	106.2	G271 D275	G271-A273 VanDerWaalsContact C-N 3.3Å; G271-A273 PolarHBondContact O-N 2.99Å; A273-D275 PolarHBondContact O-N 2.92Å
274	H	43.4	Very low	49	Very low	169 Å²	169	132 Å²	132	78%	0.782	71%	0.712	S	S	*	*			trans	-73.6	107.4	-178.9	-33.4	-90	0	0	0	107.2
275	D	41.7	Very low	47.9	Very low	161 Å²	161	135.8 Å²	135.8	86%	0.861	73%	0.734	S	S	*	*			trans	-116.3	96.3	157.9	-76.4	-39.4	0	0	0	107.6	A273	A273-D275 PolarHBondContact O-N 2.92Å
276	T	47.7	Very low	46.5	Very low	112 Å²	112	136.8 Å²	136.8	69%	0.687	74%	0.744	S	S	*	*			trans	-45	141.9	172.5	-48.6	0	0	0	0	112	L278	T276-L278 PolarHBondContact O-N 2.91Å; T276-L278 VanDerWaalsContact O-N 3.07Å
277	P	37.7	Very low	45.9	Very low	121 Å²	121	139.1 Å²	139.1	79%	0.786	76%	0.757	S	S	*	*			trans	-75.3	101.7	176.9	31	-31.2	0	0	0	109.5	N279	P277-N279 PolarHBondContact O-N 3.32Å
278	L	39.3	Very low	45.2	Very low	167 Å²	167	143.5 Å²	143.5	87%	0.874	78%	0.781	S	S	*	*			trans	-90.4	79.6	169.1	-122	148.2	0	0	0	108.8	T276	T276-L278 PolarHBondContact O-N 2.91Å; T276-L278 VanDerWaalsContact O-N 3.07Å
279	N	40.1	Very low	44.1	Very low	145 Å²	145	144.2 Å²	144.2	78%	0.775	79%	0.786	S	S	*	*			trans	-87.6	124.5	163.4	-133.5	-0.7	0	0	0	107.5	P277	P277-N279 PolarHBondContact O-N 3.32Å
280	T	38.8	Very low	43.2	Very low	105 Å²	105	144.4 Å²	144.4	64%	0.644	79%	0.789	S	S	*	*			trans	68.1	108.9	157.1	-45	0	0	0	0	117.4
281	F	41.5	Very low	42.2	Very low	185 Å²	185	146.4 Å²	146.4	81%	0.811	80%	0.796	S	S	*	*			trans	174.4	142.5	130.7	-102.6	-78.2	0	0	0	111.5
282	H	44.2	Very low	42.3	Very low	177 Å²	177	151.2 Å²	151.2	82%	0.819	80%	0.804	S	S	*	*			trans	70.4	100.6	177.9	-74.9	-89.8	0	0	0	116.8
283	K	48.3	Very low	42.8	Very low	181 Å²	181	156.3 Å²	156.3	79%	0.787	81%	0.809	S	S	*	*			cis	57.5	104.9	49.6	-155.4	171.7	-171.6	178.8	0	114.1
284	K	41.5	Very low	42.7	Very low	182 Å²	182	161.3 Å²	161.3	79%	0.791	82%	0.819	S	S	*	*			trans	67.9	109.9	161	-73.3	-177.7	173.6	-163.6	0	117.2
285	I	42	Very low	42.6	Very low	183 Å²	183	160.8 Å²	160.8	94%	0.938	82%	0.821	S	S	*	*				-155.6	101.2	122.3	-88.6	137.7	0	0	0	106.7
286	S	38.9	Very low	42.7	Very low	98 Å²	98	160.8 Å²	160.8	69%	0.685	82%	0.818	S	S	*	*			trans	-123.2	143.9	151.5	-175.4	0	0	0	0	104.1
287	D	49.2	Very low	42.3	Very low	148 Å²	148	164.8 Å²	164.8	79%	0.791	83%	0.829	S	S	*	*			trans	92.2	82.2	169.3	-45.6	-16.9	0	0	0	116.7
288	K	46	Very low	42.7	Very low	286 Å²	286	168.8 Å²	168.8	100%	1.243	83%	0.833	S	S	*	*				179.6	0	116.7	-103	-177.5	177.1	-176.1	0	111.1

Retrieved 288 of 288 residues in 39.8 ms (Link to these results)

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