A0A077Z2W4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2W4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 99 aa.

						>A0A077Z2W4_TRITR|A0A077Z2W4
MIKGSLRKQISVWRLEIYDFASLFGGMGPDFWQITKLCDRLKNMPTVGKGRRFEAREIAGWLNPTSAYKANLLLGANRRFTDFSLQADIVNIDHSLKYQ
					

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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	M	36.3	Very low	42.2	Very low	246 Å²	246	120 Å²	120	100%	1.212	61%	0.607	S	S	*	*				0	80.7	0	-147.3	173.8	-169.1	0	0	108.6
2	I	41.8	Very low	42.9	Very low	132 Å²	132	115.6 Å²	115.6	68%	0.677	59%	0.59	S	S	*	*			trans	-133.2	-28.8	-169	-61	176	0	0	0	112.5	G4 S5	I2-G4 VanDerWaalsContact C-N 3.31Å; I2-G4 PolarHBondContact O-N 3.21Å; I2-S5 PolarHBondContact O-N 2.85Å
3	K	37.1	Very low	43.4	Very low	190 Å²	190	111.5 Å²	111.5	83%	0.826	56%	0.563	S	S	*	*	H	α-helix	trans	-65	-26.5	-176.3	-72.1	-177.9	175.6	179.1	0	114.9
4	G	37.9	Very low	43.7	Very low	55 Å²	55	113.6 Å²	113.6	57%	0.567	56%	0.561	S	S	*	*	H	α-helix	trans	-75.4	-34.6	-179.9	0	0	0	0	0	114.1	I2 K8	I2-G4 VanDerWaalsContact C-N 3.31Å; I2-G4 PolarHBondContact O-N 3.21Å; G4-K8 PolarHBondContact O-N 3.4Å
5	S	48.5	Very low	43.9	Very low	68 Å²	68	113.3 Å²	113.3	48%	0.476	56%	0.562	S	S	.	*	H	α-helix	trans	-68.3	-43.1	179.5	177.5	0	0	0	0	111.3	I2 R7 K8 Q9	I2-S5 PolarHBondContact O-N 2.85Å; S5-R7 PolarHBondContact O-N 3.25Å; S5-K8 PolarHBondContact O-N 3.25Å; S5-Q9 WeakPolarHBondContact O-CG 3.26Å; S5-Q9 PolarHBondContact O-N 3.44Å
6	L	40.7	Very low	44.3	Very low	55 Å²	55	112.6 Å²	112.6	29%	0.288	56%	0.556	S	S	.	*	H	α-helix	trans	-65.9	-40.4	-177.9	-158.5	77.4	0	0	0	112.9	K8 Q9 I10 T46	L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.16Å; L6-Q9 PolarHBondContact O-N 3.15Å; L6-I10 HydrophobicContact CD2-CD1 4.03Å; L6-I10 HydrophobicContact CG-CD1 3.92Å; L6-I10 WeakPolarHBondContact O-CD1 3.24Å; L6-I10 VanDerWaalsContact O-CG1 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.36Å; L6-I10 PolarHBondContact O-N 2.77Å; L6-T46 HydrophobicContact CD1-CG2 3.22Å; L6-T46 HydrophobicContact CD2-CG2 3.41Å; L6-T46 VanDerWaalsContact CD2-CG2 3.41Å; L6-T46 HydrophobicContact CG-CG2 3.9Å
7	R	39	Very low	44.6	Very low	198 Å²	198	108 Å²	108	75%	0.747	53%	0.534	S	S	*	.	H	α-helix	trans	-62.4	-40.6	176	-77.6	-170.8	179.2	-163	1.1	111.7	S5 I10 S11	S5-R7 PolarHBondContact O-N 3.25Å; R7-I10 PolarHBondContact O-N 3.45Å; R7-S11 PolarHBondContact O-N 3.26Å; R7-S11 PolarHBondContact O-OG 3.38Å; R7-S11 VanDerWaalsContact O-OG 3.12Å
8	K	46.8	Very low	44.8	Very low	164 Å²	164	106.6 Å²	106.6	71%	0.713	52%	0.522	S	S	*	.	H	α-helix	trans	-63	-45.6	174.3	-93.4	-171.3	172.8	-173.1	0	111.5	G4 S5 L6 I10 S11 V12	G4-K8 PolarHBondContact O-N 3.4Å; S5-K8 PolarHBondContact O-N 3.25Å; L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.16Å; K8-I10 PolarHBondContact O-N 3.35Å; K8-S11 PolarHBondContact O-N 3.47Å; K8-V12 WeakPolarHBondContact O-CG2 3.35Å; K8-V12 PolarHBondContact O-N 3.12Å
9	Q	44.8	Very low	45.2	Very low	100 Å²	100	106.2 Å²	106.2	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-59.5	-47.7	177.2	-71.9	177.8	-5.5	0	0	111.2	S5 L6 S11 V12 W13	S5-Q9 WeakPolarHBondContact O-CG 3.26Å; S5-Q9 PolarHBondContact O-N 3.44Å; L6-Q9 PolarHBondContact O-N 3.15Å; Q9-S11 VanDerWaalsContact C-N 3.31Å; Q9-S11 PolarHBondContact O-N 3.11Å; Q9-V12 WeakPolarHBondContact O-CB 3.43Å; Q9-V12 PolarHBondContact O-N 3.15Å; Q9-V12 VanDerWaalsContact O-N 3.14Å; Q9-W13 PolarHBondContact O-N 3.34Å
10	I	46.5	Very low	45.4	Very low	42 Å²	42	104.9 Å²	104.9	22%	0.215	51%	0.514	C	S	.	.	H	α-helix	trans	-62.2	-37	177.7	-65.7	160.6	0	0	0	111.9	L6 R7 K8 W13 R14 K42	L6-I10 HydrophobicContact CD2-CD1 4.03Å; L6-I10 HydrophobicContact CG-CD1 3.92Å; L6-I10 WeakPolarHBondContact O-CD1 3.24Å; L6-I10 VanDerWaalsContact O-CG1 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.36Å; L6-I10 PolarHBondContact O-N 2.77Å; R7-I10 PolarHBondContact O-N 3.45Å; K8-I10 PolarHBondContact O-N 3.35Å; I10-W13 PolarHBondContact O-N 2.88Å; I10-R14 WeakPolarHBondContact O-CB 3.43Å; I10-R14 PolarHBondContact O-N 3.33Å; I10-K42 HydrophobicContact CD1-CB 4.34Å; I10-K42 HydrophobicContact CD1-CG 4.21Å; I10-K42 HydrophobicContact CG2-CB 4.2Å; I10-K42 HydrophobicContact CG2-CG 4.33Å
11	S	45.3	Very low	45.4	Very low	70 Å²	70	100.2 Å²	100.2	49%	0.49	49%	0.492	S	S	.	.	H	α-helix	trans	-66	-38.9	175.1	-68.1	0	0	0	0	112.7	R7 K8 Q9 W13 R14 L15	R7-S11 PolarHBondContact O-N 3.26Å; R7-S11 PolarHBondContact O-OG 3.38Å; R7-S11 VanDerWaalsContact O-OG 3.12Å; K8-S11 PolarHBondContact O-N 3.47Å; Q9-S11 VanDerWaalsContact C-N 3.31Å; Q9-S11 PolarHBondContact O-N 3.11Å; S11-W13 VanDerWaalsContact C-N 3.34Å; S11-R14 PolarHBondContact O-N 3.22Å; S11-L15 PolarHBondContact O-N 2.94Å; S11-L15 VanDerWaalsContact O-N 3.13Å
12	V	50.4	Low	46	Very low	67 Å²	67	92.3 Å²	92.3	41%	0.406	46%	0.461	S	S	.	.	H	α-helix	trans	-63	-43.7	174.2	172.2	0	0	0	0	110.2	K8 Q9 R14 L15 E16	K8-V12 WeakPolarHBondContact O-CG2 3.35Å; K8-V12 PolarHBondContact O-N 3.12Å; Q9-V12 WeakPolarHBondContact O-CB 3.43Å; Q9-V12 PolarHBondContact O-N 3.15Å; Q9-V12 VanDerWaalsContact O-N 3.14Å; V12-R14 PolarHBondContact O-N 3.12Å; V12-L15 WeakPolarHBondContact O-CB 3.03Å; V12-L15 PolarHBondContact O-N 3.45Å; V12-L15 VanDerWaalsContact O-N 3.1Å; V12-E16 PolarHBondContact O-N 2.96Å
13	W	49.3	Very low	46.3	Very low	62 Å²	62	92.5 Å²	92.5	24%	0.235	46%	0.463	C	S	.	.	H	α-helix	trans	-62.6	-36.9	178.6	-68.9	30.1	0	0	0	111.7	Q9 I10 S11 I17 L41 F53 L85	Q9-W13 PolarHBondContact O-N 3.34Å; I10-W13 PolarHBondContact O-N 2.88Å; S11-W13 VanDerWaalsContact C-N 3.34Å; W13-I17 VanDerWaalsContact O-CB 3.26Å; W13-I17 WeakPolarHBondContact O-CB 3.48Å; W13-I17 WeakPolarHBondContact O-CD1 3.3Å; W13-I17 VanDerWaalsContact O-CG1 3.29Å; W13-I17 WeakPolarHBondContact O-CG1 3.41Å; W13-I17 PolarHBondContact O-N 2.98Å; W13-L41 HydrophobicContact CE3-CD1 3.97Å; W13-L41 HydrophobicContact CZ3-CD1 3.9Å; W13-F53 HydrophobicContact CH2-CB 4.13Å; W13-F53 AromaticContact CH2-CD2 3.43Å; W13-F53 HydrophobicContact CH2-CD2 3.43Å; W13-F53 VanDerWaalsContact CH2-CD2 3.43Å; W13-F53 HydrophobicContact CH2-CE2 4.01Å; W13-F53 AromaticContact CH2-CG 3.91Å; W13-F53 HydrophobicContact CH2-CG 3.91Å; W13-F53 HydrophobicContact CZ2-CD2 4.46Å; W13-F53 HydrophobicContact CZ3-CD2 4.04Å; W13-F53 HydrophobicContact CZ3-CE2 4.43Å; W13-F53 HydrophobicContact CZ3-CG 4.22Å; W13-L85 HydrophobicContact CZ2-CD1 4.35Å
14	R	47.1	Very low	46.9	Very low	141 Å²	141	88.1 Å²	88.1	53%	0.532	44%	0.444	S	S	.	.	H	α-helix	trans	-64.6	-42.2	176.7	-172.6	171.3	-175.9	-157.7	-4	111	I10 S11 V12 I17 Y18	I10-R14 WeakPolarHBondContact O-CB 3.43Å; I10-R14 PolarHBondContact O-N 3.33Å; S11-R14 PolarHBondContact O-N 3.22Å; V12-R14 PolarHBondContact O-N 3.12Å; R14-I17 PolarHBondContact O-N 3.49Å; R14-Y18 HydrophobicContact CG-CD2 3.8Å; R14-Y18 HydrophobicContact CG-CE2 3.39Å; R14-Y18 PolarHBondContact NE-OH 3.48Å; R14-Y18 PolarHBondContact NH2-OH 3.27Å; R14-Y18 VanDerWaalsContact NH2-OH 3.11Å; R14-Y18 WeakPolarHBondContact O-CD2 3.37Å; R14-Y18 PolarHBondContact O-N 2.89Å
15	L	46.4	Very low	47.2	Very low	110 Å²	110	89.1 Å²	89.1	58%	0.576	45%	0.454	S	S	*	.	H	α-helix	trans	-64.5	-48.4	176.4	-75.1	164.1	0	0	0	111.9	S11 V12 I17 Y18 D19	S11-L15 PolarHBondContact O-N 2.94Å; S11-L15 VanDerWaalsContact O-N 3.13Å; V12-L15 WeakPolarHBondContact O-CB 3.03Å; V12-L15 PolarHBondContact O-N 3.45Å; V12-L15 VanDerWaalsContact O-N 3.1Å; L15-I17 PolarHBondContact O-N 3.11Å; L15-Y18 PolarHBondContact O-N 3.08Å; L15-D19 PolarHBondContact O-N 2.95Å
16	E	50.2	Low	47.2	Very low	102 Å²	102	87.7 Å²	87.7	48%	0.477	45%	0.45	S	S	.	.	H	α-helix	trans	-60.3	-35.8	178.1	-70.4	175.2	-178.4	0	0	112.1	V12 D19 F20	V12-E16 PolarHBondContact O-N 2.96Å; E16-D19 PolarHBondContact O-N 2.92Å; E16-F20 WeakPolarHBondContact O-CB 3.33Å; E16-F20 PolarHBondContact O-N 3.23Å
17	I	49.6	Very low	47.8	Very low	34 Å²	34	92 Å²	92	17%	0.174	47%	0.47	C	S	.	.	H	α-helix	trans	-70.7	-37.1	175.9	-81.2	170.7	0	0	0	112.4	W13 R14 L15 F20 A21 I34 C38	W13-I17 VanDerWaalsContact O-CB 3.26Å; W13-I17 WeakPolarHBondContact O-CB 3.48Å; W13-I17 WeakPolarHBondContact O-CD1 3.3Å; W13-I17 VanDerWaalsContact O-CG1 3.29Å; W13-I17 WeakPolarHBondContact O-CG1 3.41Å; W13-I17 PolarHBondContact O-N 2.98Å; R14-I17 PolarHBondContact O-N 3.49Å; L15-I17 PolarHBondContact O-N 3.11Å; I17-F20 PolarHBondContact O-N 3.5Å; I17-A21 WeakPolarHBondContact O-CB 3.42Å; I17-A21 PolarHBondContact O-N 2.98Å; I17-I34 HydrophobicContact CB-CG2 4.23Å; I17-I34 HydrophobicContact CD1-CG2 3.88Å; I17-I34 HydrophobicContact CG1-CG2 4.01Å; I17-I34 HydrophobicContact CG2-CB 4.42Å; I17-I34 HydrophobicContact CG2-CG2 3.3Å; I17-C38 WeakPolarHBondContact CD1-SG 3.46Å
18	Y	48.9	Very low	48.6	Very low	83 Å²	83	83.9 Å²	83.9	33%	0.325	45%	0.449	S	S	.	.	H	α-helix	trans	-66.7	-39.9	173.3	-81.3	-68.2	0	0	0	111.3	R14 L15 F20 A21 S22 F31	R14-Y18 HydrophobicContact CG-CD2 3.8Å; R14-Y18 HydrophobicContact CG-CE2 3.39Å; R14-Y18 PolarHBondContact NE-OH 3.48Å; R14-Y18 PolarHBondContact NH2-OH 3.27Å; R14-Y18 VanDerWaalsContact NH2-OH 3.11Å; R14-Y18 WeakPolarHBondContact O-CD2 3.37Å; R14-Y18 PolarHBondContact O-N 2.89Å; L15-Y18 PolarHBondContact O-N 3.08Å; Y18-F20 VanDerWaalsContact C-N 3.35Å; Y18-A21 PolarHBondContact O-N 3Å; Y18-S22 WeakPolarHBondContact O-CB 3.43Å; Y18-S22 PolarHBondContact O-N 3.28Å; Y18-S22 PolarHBondContact O-OG 3.31Å; Y18-F31 AromaticContact CD1-CE2 3.85Å; Y18-F31 HydrophobicContact CD1-CE2 3.85Å; Y18-F31 HydrophobicContact CD1-CZ 4.21Å; Y18-F31 AromaticContact CE1-CE2 3.67Å; Y18-F31 HydrophobicContact CE1-CE2 3.67Å; Y18-F31 AromaticContact CE1-CZ 3.55Å; Y18-F31 HydrophobicContact CE1-CZ 3.55Å
19	D	51.3	Low	48.9	Very low	99 Å²	99	80.9 Å²	80.9	53%	0.529	45%	0.446	S	S	.	.	H	α-helix	trans	-66.9	-37.8	174.6	-72	-21.2	0	0	0	111.3	L15 E16 S22 L23	L15-D19 PolarHBondContact O-N 2.95Å; E16-D19 PolarHBondContact O-N 2.92Å; D19-S22 WeakPolarHBondContact CA-OG 3.25Å; D19-S22 PolarHBondContact O-N 2.86Å; D19-S22 PolarHBondContact O-OG 3.31Å; D19-L23 WeakPolarHBondContact O-CB 3.47Å; D19-L23 WeakPolarHBondContact O-CG 3.47Å; D19-L23 PolarHBondContact O-N 3.48Å
20	F	49.2	Very low	49.3	Very low	80 Å²	80	77.2 Å²	77.2	35%	0.351	43%	0.43	S	S	.	.	H	α-helix	trans	-65.7	-44.1	172.8	-155.8	-96.5	0	0	0	111.2	E16 I17 Y18 S22 L23 F24 Y68	E16-F20 WeakPolarHBondContact O-CB 3.33Å; E16-F20 PolarHBondContact O-N 3.23Å; I17-F20 PolarHBondContact O-N 3.5Å; Y18-F20 VanDerWaalsContact C-N 3.35Å; F20-S22 VanDerWaalsContact C-N 3.28Å; F20-S22 PolarHBondContact O-N 3.11Å; F20-L23 WeakPolarHBondContact O-CB 3.31Å; F20-L23 PolarHBondContact O-N 2.97Å; F20-F24 AromaticContact CD1-CD2 3.62Å; F20-F24 HydrophobicContact CD1-CD2 3.62Å; F20-F24 AromaticContact CD1-CE2 3.6Å; F20-F24 HydrophobicContact CD1-CE2 3.6Å; F20-F24 AromaticContact CD2-CE2 3.9Å; F20-F24 HydrophobicContact CD2-CE2 3.9Å; F20-F24 AromaticContact CE1-CD2 3.54Å; F20-F24 HydrophobicContact CE1-CD2 3.54Å; F20-F24 AromaticContact CE1-CE2 3.2Å; F20-F24 HydrophobicContact CE1-CE2 3.2Å; F20-F24 HydrophobicContact CE1-CZ 4.09Å; F20-F24 HydrophobicContact CE2-CD2 4.5Å; F20-F24 AromaticContact CE2-CE2 3.54Å; F20-F24 HydrophobicContact CE2-CE2 3.54Å; F20-F24 HydrophobicContact CE2-CZ 4.23Å; F20-F24 HydrophobicContact CG-CD2 4.16Å; F20-F24 AromaticContact CG-CE2 3.94Å; F20-F24 HydrophobicContact CG-CE2 3.94Å; F20-F24 HydrophobicContact CZ-CD2 4.02Å; F20-F24 AromaticContact CZ-CE2 3.18Å; F20-F24 HydrophobicContact CZ-CE2 3.18Å; F20-F24 AromaticContact CZ-CZ 3.78Å; F20-F24 HydrophobicContact CZ-CZ 3.78Å; F20-F24 WeakPolarHBondContact O-CD2 3.43Å; F20-F24 PolarHBondContact O-N 3.38Å; F20-Y68 HydrophobicContact CD1-CD1 4.29Å; F20-Y68 HydrophobicContact CD1-CE1 4.19Å; F20-Y68 HydrophobicContact CE1-CD1 4.01Å; F20-Y68 HydrophobicContact CE1-CE1 4.25Å
21	A	46.5	Very low	49.9	Very low	6 Å²	6	76 Å²	76	5%	0.05	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-32.7	177.1	0	0	0	0	0	112.9	I17 Y18 F31	I17-A21 WeakPolarHBondContact O-CB 3.42Å; I17-A21 PolarHBondContact O-N 2.98Å; Y18-A21 PolarHBondContact O-N 3Å; A21-F31 HydrophobicContact CB-CD2 3.71Å; A21-F31 HydrophobicContact CB-CE2 4.21Å
22	S	48.4	Very low	50.5	Low	81 Å²	81	80.8 Å²	80.8	57%	0.566	43%	0.43	S	S	*	.	H	α-helix	trans	-72.3	-36.6	174.3	74	0	0	0	0	111.7	Y18 D19 F20 F24 G25	Y18-S22 WeakPolarHBondContact O-CB 3.43Å; Y18-S22 PolarHBondContact O-N 3.28Å; Y18-S22 PolarHBondContact O-OG 3.31Å; D19-S22 WeakPolarHBondContact CA-OG 3.25Å; D19-S22 PolarHBondContact O-N 2.86Å; D19-S22 PolarHBondContact O-OG 3.31Å; F20-S22 VanDerWaalsContact C-N 3.28Å; F20-S22 PolarHBondContact O-N 3.11Å; S22-F24 VanDerWaalsContact C-N 3.33Å; S22-F24 PolarHBondContact O-N 3.37Å; S22-G25 PolarHBondContact O-N 3.46Å
23	L	48.8	Very low	50.9	Low	135 Å²	135	80 Å²	80	71%	0.707	42%	0.422	S	S	*	.	H	α-helix	trans	-63.3	-31.5	175.8	-77.4	167	0	0	0	113.9	D19 F20	D19-L23 WeakPolarHBondContact O-CB 3.47Å; D19-L23 WeakPolarHBondContact O-CG 3.47Å; D19-L23 PolarHBondContact O-N 3.48Å; F20-L23 WeakPolarHBondContact O-CB 3.31Å; F20-L23 PolarHBondContact O-N 2.97Å
24	F	49	Very low	51.2	Low	98 Å²	98	77.9 Å²	77.9	43%	0.43	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	18.1	-178.3	-68.6	-78.3	0	0	0	114.8	F20 S22 Y68	F20-F24 AromaticContact CD1-CD2 3.62Å; F20-F24 HydrophobicContact CD1-CD2 3.62Å; F20-F24 AromaticContact CD1-CE2 3.6Å; F20-F24 HydrophobicContact CD1-CE2 3.6Å; F20-F24 AromaticContact CD2-CE2 3.9Å; F20-F24 HydrophobicContact CD2-CE2 3.9Å; F20-F24 AromaticContact CE1-CD2 3.54Å; F20-F24 HydrophobicContact CE1-CD2 3.54Å; F20-F24 AromaticContact CE1-CE2 3.2Å; F20-F24 HydrophobicContact CE1-CE2 3.2Å; F20-F24 HydrophobicContact CE1-CZ 4.09Å; F20-F24 HydrophobicContact CE2-CD2 4.5Å; F20-F24 AromaticContact CE2-CE2 3.54Å; F20-F24 HydrophobicContact CE2-CE2 3.54Å; F20-F24 HydrophobicContact CE2-CZ 4.23Å; F20-F24 HydrophobicContact CG-CD2 4.16Å; F20-F24 AromaticContact CG-CE2 3.94Å; F20-F24 HydrophobicContact CG-CE2 3.94Å; F20-F24 HydrophobicContact CZ-CD2 4.02Å; F20-F24 AromaticContact CZ-CE2 3.18Å; F20-F24 HydrophobicContact CZ-CE2 3.18Å; F20-F24 AromaticContact CZ-CZ 3.78Å; F20-F24 HydrophobicContact CZ-CZ 3.78Å; F20-F24 WeakPolarHBondContact O-CD2 3.43Å; F20-F24 PolarHBondContact O-N 3.38Å; S22-F24 VanDerWaalsContact C-N 3.33Å; S22-F24 PolarHBondContact O-N 3.37Å; F24-Y68 HydrophobicContact CB-CE1 4.26Å; F24-Y68 HydrophobicContact CD2-CE1 4.31Å; F24-Y68 HydrophobicContact CG-CE1 4.44Å
25	G	44.8	Very low	51.9	Low	76 Å²	76	72.6 Å²	72.6	78%	0.784	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	26	160.1	0	0	0	0	0	116.6	S22	S22-G25 PolarHBondContact O-N 3.46Å
26	G	47.8	Very low	52.7	Low	38 Å²	38	74 Å²	74	39%	0.392	40%	0.4	S	S	.	.	S	Bend	trans	135.8	163	165.5	0	0	0	0	0	114.5	G28	G26-G28 PolarHBondContact O-N 2.99Å
27	M	53.1	Low	53.1	Low	145 Å²	145	69.8 Å²	69.8	71%	0.714	38%	0.381	S	S	*	.			trans	-72	67.5	177.4	-62.7	179.7	-177	0	0	110.9	F31	M27-F31 HydrophobicContact CB-CB 4.13Å; M27-F31 HydrophobicContact CB-CD1 4.03Å; M27-F31 HydrophobicContact CB-CG 3.97Å; M27-F31 HydrophobicContact CE-CZ 4.43Å; M27-F31 HydrophobicContact CG-CD1 4.07Å; M27-F31 HydrophobicContact CG-CD2 4.17Å; M27-F31 HydrophobicContact CG-CE1 4.31Å; M27-F31 HydrophobicContact CG-CE2 4.39Å; M27-F31 HydrophobicContact CG-CG 4Å; M27-F31 HydrophobicContact CG-CZ 4.48Å; M27-F31 HydrophobicContact SD-CD1 4.41Å; M27-F31 HydrophobicContact SD-CE1 4.17Å; M27-F31 HydrophobicContact SD-CZ 4.4Å
28	G	55.8	Low	53.6	Low	28 Å²	28	69 Å²	69	29%	0.289	38%	0.379	S	S	.	.			trans	-68.5	177.2	175.3	0	0	0	0	0	112.7	G26 D30 F31	G26-G28 PolarHBondContact O-N 2.99Å; G28-D30 PolarHBondContact O-N 3.21Å; G28-F31 VanDerWaalsContact O-CB 3.27Å; G28-F31 WeakPolarHBondContact O-CB 2.95Å; G28-F31 PolarHBondContact O-N 3.36Å
29	P	54.2	Low	54.3	Low	102 Å²	102	69.1 Å²	69.1	66%	0.662	39%	0.385	S	S	*	.	H	α-helix	trans	-54.4	-22.9	177	22.2	-33.1	0	0	0	113.5
30	D	53.6	Low	54.6	Low	22 Å²	22	71.4 Å²	71.4	12%	0.118	39%	0.386	C	S	.	.	H	α-helix	trans	-74.9	-27.5	175.7	-63.7	-51.5	0	0	0	113.6	G28 W32 Q33 I34 S66 Y68	G28-D30 PolarHBondContact O-N 3.21Å; D30-W32 VanDerWaalsContact C-N 3.28Å; D30-W32 PolarHBondContact O-N 2.85Å; D30-Q33 WeakPolarHBondContact O-CB 3.49Å; D30-Q33 PolarHBondContact O-N 3.28Å; D30-I34 VanDerWaalsContact O-CG1 3.3Å; D30-I34 WeakPolarHBondContact O-CG1 3.3Å; D30-I34 PolarHBondContact O-N 2.85Å; D30-S66 VanDerWaalsContact OD1-CB 3.31Å; D30-S66 WeakPolarHBondContact OD1-CB 3.2Å; D30-S66 PolarHBondContact OD1-OG 2.83Å; D30-Y68 HydrophobicContact CB-CD2 3.15Å; D30-Y68 HydrophobicContact CB-CE2 3.11Å; D30-Y68 HydrophobicContact CB-CG 4.07Å; D30-Y68 WeakPolarHBondContact OD2-CD2 3.45Å; D30-Y68 VanDerWaalsContact OD2-CE2 3.27Å; D30-Y68 WeakPolarHBondContact OD2-CE2 3.49Å
31	F	57.6	Low	55.1	Low	17 Å²	17	68.7 Å²	68.7	8%	0.075	38%	0.375	C	S	.	.	H	α-helix	trans	-59.2	-41	174.7	174.7	-97.3	0	0	0	111.6	Y18 A21 M27 G28 Q33 I34 T35	Y18-F31 AromaticContact CD1-CE2 3.85Å; Y18-F31 HydrophobicContact CD1-CE2 3.85Å; Y18-F31 HydrophobicContact CD1-CZ 4.21Å; Y18-F31 AromaticContact CE1-CE2 3.67Å; Y18-F31 HydrophobicContact CE1-CE2 3.67Å; Y18-F31 AromaticContact CE1-CZ 3.55Å; Y18-F31 HydrophobicContact CE1-CZ 3.55Å; A21-F31 HydrophobicContact CB-CD2 3.71Å; A21-F31 HydrophobicContact CB-CE2 4.21Å; M27-F31 HydrophobicContact CB-CB 4.13Å; M27-F31 HydrophobicContact CB-CD1 4.03Å; M27-F31 HydrophobicContact CB-CG 3.97Å; M27-F31 HydrophobicContact CE-CZ 4.43Å; M27-F31 HydrophobicContact CG-CD1 4.07Å; M27-F31 HydrophobicContact CG-CD2 4.17Å; M27-F31 HydrophobicContact CG-CE1 4.31Å; M27-F31 HydrophobicContact CG-CE2 4.39Å; M27-F31 HydrophobicContact CG-CG 4Å; M27-F31 HydrophobicContact CG-CZ 4.48Å; M27-F31 HydrophobicContact SD-CD1 4.41Å; M27-F31 HydrophobicContact SD-CE1 4.17Å; M27-F31 HydrophobicContact SD-CZ 4.4Å; G28-F31 VanDerWaalsContact O-CB 3.27Å; G28-F31 WeakPolarHBondContact O-CB 2.95Å; G28-F31 PolarHBondContact O-N 3.36Å; F31-Q33 VanDerWaalsContact C-N 3.34Å; F31-I34 PolarHBondContact O-N 3.01Å; F31-T35 WeakPolarHBondContact O-CB 3.43Å; F31-T35 PolarHBondContact O-N 3.33Å; F31-T35 PolarHBondContact O-OG1 3.14Å
32	W	59.6	Low	55.5	Low	170 Å²	170	74.2 Å²	74.2	64%	0.644	40%	0.398	S	S	*	.	H	α-helix	trans	-66.8	-35.3	174.5	-73.9	107.6	0	0	0	112.4	D30 K36	D30-W32 VanDerWaalsContact C-N 3.28Å; D30-W32 PolarHBondContact O-N 2.85Å; W32-K36 WeakPolarHBondContact O-CB 3.27Å; W32-K36 VanDerWaalsContact O-CG 3.3Å; W32-K36 WeakPolarHBondContact O-CG 3.5Å; W32-K36 PolarHBondContact O-N 3.02Å
33	Q	56.9	Low	55.9	Low	51 Å²	51	76.5 Å²	76.5	24%	0.238	40%	0.403	C	S	.	.	H	α-helix	trans	-67.6	-41.5	176	-65.3	-179.2	25.2	0	0	111.2	D30 F31 K36 L37 L62 N63	D30-Q33 WeakPolarHBondContact O-CB 3.49Å; D30-Q33 PolarHBondContact O-N 3.28Å; F31-Q33 VanDerWaalsContact C-N 3.34Å; Q33-K36 PolarHBondContact O-N 3.47Å; Q33-L37 WeakPolarHBondContact O-CB 3.38Å; Q33-L37 PolarHBondContact O-N 2.98Å; Q33-L62 HydrophobicContact CB-CD2 4.01Å; Q33-N63 VanDerWaalsContact OE1-N 3.07Å
34	I	56.4	Low	56.1	Low	17 Å²	17	72.5 Å²	72.5	9%	0.087	38%	0.382	C	S	.	.	H	α-helix	trans	-69.8	-38.9	177.7	-59.3	164	0	0	0	110.6	I17 D30 F31 K36 L37 C38 L62 Y68	I17-I34 HydrophobicContact CB-CG2 4.23Å; I17-I34 HydrophobicContact CD1-CG2 3.88Å; I17-I34 HydrophobicContact CG1-CG2 4.01Å; I17-I34 HydrophobicContact CG2-CB 4.42Å; I17-I34 HydrophobicContact CG2-CG2 3.3Å; D30-I34 VanDerWaalsContact O-CG1 3.3Å; D30-I34 WeakPolarHBondContact O-CG1 3.3Å; D30-I34 PolarHBondContact O-N 2.85Å; F31-I34 PolarHBondContact O-N 3.01Å; I34-K36 PolarHBondContact O-N 3.1Å; I34-L37 CarbonylContact O-C 3.58Å; I34-L37 WeakPolarHBondContact O-CA 3.29Å; I34-L37 VanDerWaalsContact O-CB 3.31Å; I34-L37 WeakPolarHBondContact O-CB 3.47Å; I34-L37 PolarHBondContact O-N 2.69Å; I34-L37 VanDerWaalsContact O-N 3.11Å; I34-C38 PolarHBondContact O-N 3.17Å; I34-C38 PolarHBondContact O-SG 3.3Å; I34-L62 HydrophobicContact CG1-CD2 4.25Å; I34-Y68 HydrophobicContact CD1-CD1 3.7Å; I34-Y68 HydrophobicContact CD1-CE1 3.78Å; I34-Y68 HydrophobicContact CD1-CG 4.25Å
35	T	61.1	Low	56.1	Low	30 Å²	30	72.8 Å²	72.8	18%	0.184	39%	0.393	C	S	.	.	H	α-helix	trans	-60.7	-45	173.2	-57.5	0	0	0	0	111.2	F31 L37 C38 D39	F31-T35 WeakPolarHBondContact O-CB 3.43Å; F31-T35 PolarHBondContact O-N 3.33Å; F31-T35 PolarHBondContact O-OG1 3.14Å; T35-L37 VanDerWaalsContact C-N 3.27Å; T35-L37 PolarHBondContact O-N 2.92Å; T35-C38 WeakPolarHBondContact O-CB 3.43Å; T35-C38 PolarHBondContact O-N 3.39Å; T35-D39 PolarHBondContact O-N 2.98Å
36	K	63.3	Low	56.4	Low	141 Å²	141	73.6 Å²	73.6	61%	0.613	38%	0.384	S	S	*	.	H	α-helix	trans	-61.5	-35.8	173.3	-76.8	178.1	-179.5	-178.7	0	112.5	W32 Q33 I34 D39 R40	W32-K36 WeakPolarHBondContact O-CB 3.27Å; W32-K36 VanDerWaalsContact O-CG 3.3Å; W32-K36 WeakPolarHBondContact O-CG 3.5Å; W32-K36 PolarHBondContact O-N 3.02Å; Q33-K36 PolarHBondContact O-N 3.47Å; I34-K36 PolarHBondContact O-N 3.1Å; K36-D39 PolarHBondContact O-N 3.13Å; K36-R40 WeakPolarHBondContact O-CB 3.34Å; K36-R40 WeakPolarHBondContact O-CG 3.1Å; K36-R40 PolarHBondContact O-N 3.02Å
37	L	59.6	Low	56.2	Low	12 Å²	12	75.9 Å²	75.9	6%	0.063	39%	0.39	C	S	.	.	H	α-helix	trans	-65	-46.8	174.3	-178.1	73	0	0	0	110.7	Q33 I34 T35 D39 R40 L41 I58 W61	Q33-L37 WeakPolarHBondContact O-CB 3.38Å; Q33-L37 PolarHBondContact O-N 2.98Å; I34-L37 CarbonylContact O-C 3.58Å; I34-L37 WeakPolarHBondContact O-CA 3.29Å; I34-L37 VanDerWaalsContact O-CB 3.31Å; I34-L37 WeakPolarHBondContact O-CB 3.47Å; I34-L37 PolarHBondContact O-N 2.69Å; I34-L37 VanDerWaalsContact O-N 3.11Å; T35-L37 VanDerWaalsContact C-N 3.27Å; T35-L37 PolarHBondContact O-N 2.92Å; L37-D39 VanDerWaalsContact C-N 3.3Å; L37-D39 PolarHBondContact O-N 3.34Å; L37-R40 WeakPolarHBondContact O-CB 3.33Å; L37-R40 PolarHBondContact O-N 3.39Å; L37-R40 VanDerWaalsContact O-N 3.11Å; L37-L41 HydrophobicContact CG-CD1 4.01Å; L37-L41 HydrophobicContact CG-CG 4.35Å; L37-L41 WeakPolarHBondContact O-CB 3.26Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.22Å; L37-L41 PolarHBondContact O-N 3.04Å; L37-I58 HydrophobicContact CD2-CB 4.27Å; L37-I58 HydrophobicContact CD2-CG1 4.22Å; L37-I58 HydrophobicContact CD2-CG2 3.44Å; L37-I58 VanDerWaalsContact CD2-CG2 3.44Å; L37-W61 HydrophobicContact CD1-CB 3.89Å; L37-W61 HydrophobicContact CD1-CD2 4.26Å; L37-W61 HydrophobicContact CD1-CE3 4.27Å; L37-W61 HydrophobicContact CD1-CG 4.13Å
38	C	59.8	Low	55.4	Low	19 Å²	19	72.2 Å²	72.2	13%	0.128	39%	0.389	C	S	.	.	H	α-helix	trans	-54.9	-45.9	173.9	-65.8	0	0	0	0	111.9	I17 I34 T35 R40 L41 K42	I17-C38 WeakPolarHBondContact CD1-SG 3.46Å; I34-C38 PolarHBondContact O-N 3.17Å; I34-C38 PolarHBondContact O-SG 3.3Å; T35-C38 WeakPolarHBondContact O-CB 3.43Å; T35-C38 PolarHBondContact O-N 3.39Å; C38-R40 VanDerWaalsContact C-N 3.32Å; C38-R40 PolarHBondContact O-N 3.45Å; C38-L41 PolarHBondContact O-N 2.68Å; C38-K42 WeakPolarHBondContact O-CB 3.5Å; C38-K42 PolarHBondContact O-N 2.99Å
39	D	63	Low	54.4	Low	85 Å²	85	79.9 Å²	79.9	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-65.3	-36.2	178.4	-75.8	-26.8	0	0	0	112	T35 K36 L37 N43	T35-D39 PolarHBondContact O-N 2.98Å; K36-D39 PolarHBondContact O-N 3.13Å; L37-D39 VanDerWaalsContact C-N 3.3Å; L37-D39 PolarHBondContact O-N 3.34Å; D39-N43 PolarHBondContact O-N 3.4Å; D39-N43 PolarHBondContact O-ND2 3.35Å
40	R	58.2	Low	53.6	Low	147 Å²	147	79.2 Å²	79.2	56%	0.555	43%	0.426	S	S	*	.	H	α-helix	trans	-67.5	-44.9	174	-79.7	167.3	153.4	-151.8	5.7	111.7	K36 L37 C38 K42 N43 M44 W61	K36-R40 WeakPolarHBondContact O-CB 3.34Å; K36-R40 WeakPolarHBondContact O-CG 3.1Å; K36-R40 PolarHBondContact O-N 3.02Å; L37-R40 WeakPolarHBondContact O-CB 3.33Å; L37-R40 PolarHBondContact O-N 3.39Å; L37-R40 VanDerWaalsContact O-N 3.11Å; C38-R40 VanDerWaalsContact C-N 3.32Å; C38-R40 PolarHBondContact O-N 3.45Å; R40-K42 VanDerWaalsContact C-N 3.31Å; R40-K42 PolarHBondContact O-N 3.36Å; R40-N43 CarbonylContact O-C 3.59Å; R40-N43 PolarHBondContact O-N 3.13Å; R40-N43 VanDerWaalsContact O-N 3.12Å; R40-M44 PolarHBondContact O-N 3.28Å; R40-M44 VanDerWaalsContact O-N 3.15Å; R40-W61 HydrophobicContact CB-CZ3 4.2Å; R40-W61 HydrophobicContact CG-CZ3 4.26Å
41	L	59.3	Low	53.2	Low	23 Å²	23	85 Å²	85	12%	0.12	45%	0.446	C	S	.	.	H	α-helix	trans	-61.1	-40.4	176.3	-69.3	171.3	0	0	0	111.6	W13 L37 C38 N43 M44 F53	W13-L41 HydrophobicContact CE3-CD1 3.97Å; W13-L41 HydrophobicContact CZ3-CD1 3.9Å; L37-L41 HydrophobicContact CG-CD1 4.01Å; L37-L41 HydrophobicContact CG-CG 4.35Å; L37-L41 WeakPolarHBondContact O-CB 3.26Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.22Å; L37-L41 PolarHBondContact O-N 3.04Å; C38-L41 PolarHBondContact O-N 2.68Å; L41-N43 PolarHBondContact O-N 2.88Å; L41-M44 HydrophobicContact CD2-CE 4.36Å; L41-M44 HydrophobicContact CD2-SD 4.19Å; L41-M44 PolarHBondContact O-N 2.85Å; L41-M44 VanDerWaalsContact O-N 3.15Å; L41-F53 HydrophobicContact CD2-CD1 3.81Å; L41-F53 HydrophobicContact CD2-CE1 3.13Å; L41-F53 HydrophobicContact CD2-CE2 4.3Å; L41-F53 HydrophobicContact CD2-CZ 3.4Å; L41-F53 VanDerWaalsContact CD2-CZ 3.4Å
42	K	55.8	Low	52.5	Low	122 Å²	122	93.4 Å²	93.4	53%	0.53	48%	0.477	S	S	.	.	H	α-helix	trans	-59.6	-31.1	175.4	179.4	179.2	178.2	-172.4	0	113.2	I10 C38 R40	I10-K42 HydrophobicContact CD1-CB 4.34Å; I10-K42 HydrophobicContact CD1-CG 4.21Å; I10-K42 HydrophobicContact CG2-CB 4.2Å; I10-K42 HydrophobicContact CG2-CG 4.33Å; C38-K42 WeakPolarHBondContact O-CB 3.5Å; C38-K42 PolarHBondContact O-N 2.99Å; R40-K42 VanDerWaalsContact C-N 3.31Å; R40-K42 PolarHBondContact O-N 3.36Å
43	N	57.3	Low	52.1	Low	128 Å²	128	88 Å²	88	68%	0.684	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.6	-179.4	-67.9	-46.3	0	0	0	113.3	D39 R40 L41	D39-N43 PolarHBondContact O-N 3.4Å; D39-N43 PolarHBondContact O-ND2 3.35Å; R40-N43 CarbonylContact O-C 3.59Å; R40-N43 PolarHBondContact O-N 3.13Å; R40-N43 VanDerWaalsContact O-N 3.12Å; L41-N43 PolarHBondContact O-N 2.88Å
44	M	53	Low	51.6	Low	51 Å²	51	91.5 Å²	91.5	25%	0.251	48%	0.475	S	S	.	.	S	Bend	trans	-70.4	132.2	176.4	-77.5	-166.6	-178.2	0	0	110.3	R40 L41 T46 F53 W61	R40-M44 PolarHBondContact O-N 3.28Å; R40-M44 VanDerWaalsContact O-N 3.15Å; L41-M44 HydrophobicContact CD2-CE 4.36Å; L41-M44 HydrophobicContact CD2-SD 4.19Å; L41-M44 PolarHBondContact O-N 2.85Å; L41-M44 VanDerWaalsContact O-N 3.15Å; M44-T46 PolarHBondContact O-N 2.87Å; M44-F53 HydrophobicContact SD-CE1 4.02Å; M44-F53 HydrophobicContact SD-CZ 3.88Å; M44-W61 HydrophobicContact CE-CH2 3.71Å; M44-W61 HydrophobicContact CE-CZ2 3.72Å; M44-W61 HydrophobicContact CE-CZ3 4.47Å
45	P	48.9	Very low	51.2	Low	104 Å²	104	91.3 Å²	91.3	68%	0.675	48%	0.475	S	S	*	.			trans	-61.3	125.7	172.5	24	-30.5	0	0	0	108.7	V47	P45-V47 HydrophobicContact CB-CG2 4.38Å; P45-V47 HydrophobicContact CG-CG2 4.36Å; P45-V47 PolarHBondContact O-N 3.03Å
46	T	50.3	Low	50.5	Low	94 Å²	94	98 Å²	98	58%	0.577	50%	0.497	S	S	*	.			trans	-65.1	82.3	169	40.6	0	0	0	0	109.2	L6 M44 G48	L6-T46 HydrophobicContact CD1-CG2 3.22Å; L6-T46 HydrophobicContact CD2-CG2 3.41Å; L6-T46 VanDerWaalsContact CD2-CG2 3.41Å; L6-T46 HydrophobicContact CG-CG2 3.9Å; M44-T46 PolarHBondContact O-N 2.87Å; T46-G48 PolarHBondContact O-N 3.27Å
47	V	43	Very low	50	Low	86 Å²	86	95.1 Å²	95.1	52%	0.521	49%	0.486	S	S	.	.			trans	-75.6	112.6	172.3	-168.1	0	0	0	0	106.4	P45 K49	P45-V47 HydrophobicContact CB-CG2 4.38Å; P45-V47 HydrophobicContact CG-CG2 4.36Å; P45-V47 PolarHBondContact O-N 3.03Å; V47-K49 PolarHBondContact O-N 2.8Å; V47-K49 VanDerWaalsContact O-N 3.16Å
48	G	36.4	Very low	49.9	Very low	67 Å²	67	96.3 Å²	96.3	69%	0.691	49%	0.492	S	S	*	.	S	Bend	trans	-45.1	117	-173.2	0	0	0	0	0	113.2	T46	T46-G48 PolarHBondContact O-N 3.27Å
49	K	35	Very low	49.6	Very low	189 Å²	189	95.4 Å²	95.4	82%	0.822	49%	0.486	S	S	*	.	S	Bend	trans	143.3	115.9	167.4	-83.4	166.6	-172.6	-171.5	0	105.7	V47 R51	V47-K49 PolarHBondContact O-N 2.8Å; V47-K49 VanDerWaalsContact O-N 3.16Å; K49-R51 WeakPolarHBondContact O-CG 3.3Å; K49-R51 PolarHBondContact O-N 3.46Å
50	G	37.7	Very low	49.4	Very low	88 Å²	88	93.9 Å²	93.9	91%	0.907	49%	0.491	S	S	*	.			trans	-46.9	108.3	-176.6	0	0	0	0	0	110.9	R52	G50-R52 PolarHBondContact O-N 3.4Å
51	R	44.6	Very low	49.3	Very low	144 Å²	144	92.2 Å²	92.2	54%	0.543	48%	0.484	S	S	.	.			trans	-85.8	106.4	178.8	-66.3	-168.2	-173.2	-176.6	-0.9	107	K49 F53	K49-R51 WeakPolarHBondContact O-CG 3.3Å; K49-R51 PolarHBondContact O-N 3.46Å; R51-F53 VanDerWaalsContact C-N 3.26Å; R51-F53 HydrophobicContact CB-CD2 4.37Å; R51-F53 HydrophobicContact CB-CE2 4.4Å; R51-F53 PolarHBondContact O-N 2.9Å
52	R	43.2	Very low	49.2	Very low	193 Å²	193	91.4 Å²	91.4	73%	0.728	48%	0.48	S	S	*	.			trans	-48.5	103.4	146.2	-78.8	177.3	164.1	168.8	-4.5	105.7	G50 E54	G50-R52 PolarHBondContact O-N 3.4Å; R52-E54 PolarHBondContact O-N 3.47Å; R52-E54 VanDerWaalsContact O-N 3.13Å
53	F	50.3	Low	49.3	Very low	57 Å²	57	88.9 Å²	88.9	25%	0.25	47%	0.472	C	S	.	.			trans	-69.4	107.6	168.4	-91.5	-94.6	0	0	0	105.7	W13 L41 M44 R51 A55 I58	W13-F53 HydrophobicContact CH2-CB 4.13Å; W13-F53 AromaticContact CH2-CD2 3.43Å; W13-F53 HydrophobicContact CH2-CD2 3.43Å; W13-F53 VanDerWaalsContact CH2-CD2 3.43Å; W13-F53 HydrophobicContact CH2-CE2 4.01Å; W13-F53 AromaticContact CH2-CG 3.91Å; W13-F53 HydrophobicContact CH2-CG 3.91Å; W13-F53 HydrophobicContact CZ2-CD2 4.46Å; W13-F53 HydrophobicContact CZ3-CD2 4.04Å; W13-F53 HydrophobicContact CZ3-CE2 4.43Å; W13-F53 HydrophobicContact CZ3-CG 4.22Å; L41-F53 HydrophobicContact CD2-CD1 3.81Å; L41-F53 HydrophobicContact CD2-CE1 3.13Å; L41-F53 HydrophobicContact CD2-CE2 4.3Å; L41-F53 HydrophobicContact CD2-CZ 3.4Å; L41-F53 VanDerWaalsContact CD2-CZ 3.4Å; M44-F53 HydrophobicContact SD-CE1 4.02Å; M44-F53 HydrophobicContact SD-CZ 3.88Å; R51-F53 VanDerWaalsContact C-N 3.26Å; R51-F53 HydrophobicContact CB-CD2 4.37Å; R51-F53 HydrophobicContact CB-CE2 4.4Å; R51-F53 PolarHBondContact O-N 2.9Å; F53-A55 PolarHBondContact O-N 3.33Å; F53-I58 HydrophobicContact CB-CD1 4.45Å
54	E	47.4	Very low	49.4	Very low	125 Å²	125	87.9 Å²	87.9	58%	0.584	47%	0.473	S	S	*	.			trans	-63.3	127.9	173.9	-67.8	-171.8	176.4	0	0	107.2	R52 R56 E57 I58	R52-E54 PolarHBondContact O-N 3.47Å; R52-E54 VanDerWaalsContact O-N 3.13Å; E54-R56 HydrophobicContact CB-CB 4.34Å; E54-R56 PolarHBondContact O-N 2.9Å; E54-E57 WeakPolarHBondContact O-CA 3.19Å; E54-E57 WeakPolarHBondContact O-CB 3.27Å; E54-E57 PolarHBondContact O-N 2.85Å; E54-I58 PolarHBondContact O-N 3.26Å
55	A	47.5	Very low	49.7	Very low	12 Å²	12	91.1 Å²	91.1	10%	0.099	50%	0.496	C	S	.	.	H	α-helix	trans	-52.2	-21.6	173.6	0	0	0	0	0	112.3	F53 I58 A59 L72 F80	F53-A55 PolarHBondContact O-N 3.33Å; A55-I58 PolarHBondContact O-N 2.84Å; A55-A59 WeakPolarHBondContact O-CB 3.16Å; A55-A59 PolarHBondContact O-N 3.25Å; A55-L72 HydrophobicContact CB-CD2 4.32Å; A55-F80 HydrophobicContact CB-CE2 3.7Å; A55-F80 HydrophobicContact CB-CZ 4.24Å
56	R	47.9	Very low	50	Low	171 Å²	171	86.4 Å²	86.4	65%	0.645	47%	0.465	S	S	*	.	H	α-helix	trans	-64.6	-40	171.4	-57.9	-174.5	89.9	179.8	7.6	113	E54 A59 G60 A76	E54-R56 HydrophobicContact CB-CB 4.34Å; E54-R56 PolarHBondContact O-N 2.9Å; R56-A59 PolarHBondContact O-N 3.06Å; R56-G60 PolarHBondContact O-N 2.86Å; R56-A76 HydrophobicContact CG-CB 4.49Å
57	E	52.3	Low	50.3	Low	80 Å²	80	84.8 Å²	84.8	37%	0.374	46%	0.461	S	S	.	.	H	α-helix	trans	-65.4	-47.4	174.9	-166.3	173.6	-172.8	0	0	109	E54 A59 G60	E54-E57 WeakPolarHBondContact O-CA 3.19Å; E54-E57 WeakPolarHBondContact O-CB 3.27Å; E54-E57 PolarHBondContact O-N 2.85Å; E57-A59 PolarHBondContact O-N 3.44Å; E57-G60 PolarHBondContact O-N 3.38Å; E57-G60 VanDerWaalsContact O-N 3.08Å
58	I	56.3	Low	50.8	Low	37 Å²	37	81.6 Å²	81.6	19%	0.19	44%	0.44	C	S	.	.	H	α-helix	trans	-58.5	-46.1	174.7	-67.3	171.1	0	0	0	111.9	L37 F53 E54 A55 G60 W61 L62 L72	L37-I58 HydrophobicContact CD2-CB 4.27Å; L37-I58 HydrophobicContact CD2-CG1 4.22Å; L37-I58 HydrophobicContact CD2-CG2 3.44Å; L37-I58 VanDerWaalsContact CD2-CG2 3.44Å; F53-I58 HydrophobicContact CB-CD1 4.45Å; E54-I58 PolarHBondContact O-N 3.26Å; A55-I58 PolarHBondContact O-N 2.84Å; I58-G60 PolarHBondContact O-N 2.99Å; I58-W61 PolarHBondContact O-N 3.43Å; I58-L62 PolarHBondContact O-N 3.28Å; I58-L72 HydrophobicContact CG2-CD1 3.88Å
59	A	54.3	Low	51.6	Low	1 Å²	1	80.4 Å²	80.4	1%	0.008	42%	0.416	C	S	.	.	H	α-helix	trans	-61.6	-30.4	177.2	0	0	0	0	0	112.8	A55 R56 E57 W61 L62 K69 L72 L73	A55-A59 WeakPolarHBondContact O-CB 3.16Å; A55-A59 PolarHBondContact O-N 3.25Å; R56-A59 PolarHBondContact O-N 3.06Å; E57-A59 PolarHBondContact O-N 3.44Å; A59-W61 PolarHBondContact O-N 3.11Å; A59-L62 PolarHBondContact O-N 3.08Å; A59-K69 HydrophobicContact CB-CG 4.06Å; A59-K69 VanDerWaalsContact O-CD 3.3Å; A59-K69 WeakPolarHBondContact O-CD 3.41Å; A59-K69 WeakPolarHBondContact O-CE 3.2Å; A59-K69 WeakPolarHBondContact O-CG 3.31Å; A59-K69 PolarHBondContact O-NZ 2.65Å; A59-K69 VanDerWaalsContact O-NZ 3.11Å; A59-L72 HydrophobicContact CB-CB 4.4Å; A59-L73 HydrophobicContact CB-CD2 3.82Å; A59-L73 HydrophobicContact CB-CG 3.97Å
60	G	59.5	Low	52.4	Low	53 Å²	53	73.8 Å²	73.8	55%	0.546	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-26.5	173.9	0	0	0	0	0	113.4	R56 E57 I58	R56-G60 PolarHBondContact O-N 2.86Å; E57-G60 PolarHBondContact O-N 3.38Å; E57-G60 VanDerWaalsContact O-N 3.08Å; I58-G60 PolarHBondContact O-N 2.99Å
61	W	55.6	Low	53	Low	112 Å²	112	73.1 Å²	73.1	42%	0.424	37%	0.372	S	S	.	.	H	α-helix	trans	-95.2	-13.6	-175.3	-65.6	49.5	0	0	0	112.6	L37 R40 M44 I58 A59	L37-W61 HydrophobicContact CD1-CB 3.89Å; L37-W61 HydrophobicContact CD1-CD2 4.26Å; L37-W61 HydrophobicContact CD1-CE3 4.27Å; L37-W61 HydrophobicContact CD1-CG 4.13Å; R40-W61 HydrophobicContact CB-CZ3 4.2Å; R40-W61 HydrophobicContact CG-CZ3 4.26Å; M44-W61 HydrophobicContact CE-CH2 3.71Å; M44-W61 HydrophobicContact CE-CZ2 3.72Å; M44-W61 HydrophobicContact CE-CZ3 4.47Å; I58-W61 PolarHBondContact O-N 3.43Å; A59-W61 PolarHBondContact O-N 3.11Å
62	L	56.6	Low	53.4	Low	6 Å²	6	68.2 Å²	68.2	3%	0.031	36%	0.356	C	S	.	.	S	Bend	trans	-82.7	148.8	172.6	-63.3	175.9	0	0	0	110.9	Q33 I34 I58 A59 K69 L72	Q33-L62 HydrophobicContact CB-CD2 4.01Å; I34-L62 HydrophobicContact CG1-CD2 4.25Å; I58-L62 PolarHBondContact O-N 3.28Å; A59-L62 PolarHBondContact O-N 3.08Å; L62-K69 HydrophobicContact CB-CB 4.15Å; L62-K69 HydrophobicContact CD1-CB 4.47Å; L62-K69 PolarHBondContact O-NZ 3.32Å; L62-L72 HydrophobicContact CD1-CD1 3.43Å; L62-L72 VanDerWaalsContact CD1-CD1 3.43Å
63	N	58	Low	53.8	Low	69 Å²	69	62.2 Å²	62.2	37%	0.369	34%	0.339	S	S	.	.			trans	-52.8	134.8	175.1	-177.9	-24.2	0	0	0	110	Q33 T65 S66	Q33-N63 VanDerWaalsContact OE1-N 3.07Å; N63-T65 PolarHBondContact O-N 2.95Å; N63-T65 PolarHBondContact OD1-N 3.11Å; N63-T65 PolarHBondContact OD1-OG1 3.01Å; N63-T65 VanDerWaalsContact OD1-OG1 3.11Å; N63-S66 WeakPolarHBondContact O-CB 3.46Å; N63-S66 PolarHBondContact O-N 3.46Å
64	P	59.6	Low	53.6	Low	107 Å²	107	65 Å²	65	70%	0.695	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-33.6	173.6	-30.4	34	0	0	0	115.5	S66	P64-S66 VanDerWaalsContact C-N 3.33Å
65	T	58.6	Low	53.5	Low	119 Å²	119	60.3 Å²	60.3	73%	0.73	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	1.8	-179.8	65.7	0	0	0	0	113.6	N63 A67	N63-T65 PolarHBondContact O-N 2.95Å; N63-T65 PolarHBondContact OD1-N 3.11Å; N63-T65 PolarHBondContact OD1-OG1 3.01Å; N63-T65 VanDerWaalsContact OD1-OG1 3.11Å; T65-A67 PolarHBondContact O-N 2.87Å
66	S	56.6	Low	53.2	Low	5 Å²	5	61 Å²	61	4%	0.035	35%	0.346	C	S	.	.			trans	-68.5	123.3	-179.2	-177	0	0	0	0	109.9	D30 N63 P64 Y68 K69 A70	D30-S66 VanDerWaalsContact OD1-CB 3.31Å; D30-S66 WeakPolarHBondContact OD1-CB 3.2Å; D30-S66 PolarHBondContact OD1-OG 2.83Å; N63-S66 WeakPolarHBondContact O-CB 3.46Å; N63-S66 PolarHBondContact O-N 3.46Å; P64-S66 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 2.82Å; S66-Y68 VanDerWaalsContact O-N 3.13Å; S66-Y68 WeakPolarHBondContact OG-CB 3.28Å; S66-Y68 PolarHBondContact OG-N 3.05Å; S66-K69 WeakPolarHBondContact O-CB 3.49Å; S66-K69 PolarHBondContact O-N 2.78Å; S66-A70 PolarHBondContact O-N 2.95Å
67	A	56.3	Low	52.8	Low	60 Å²	60	59.9 Å²	59.9	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-56	-29.1	171.5	0	0	0	0	0	111.2	T65 A70 N71	T65-A67 PolarHBondContact O-N 2.87Å; A67-A70 PolarHBondContact O-N 2.79Å; A67-N71 PolarHBondContact O-N 3.45Å; A67-N71 PolarHBondContact O-ND2 3.4Å
68	Y	52.9	Low	51.9	Low	18 Å²	18	66.3 Å²	66.3	7%	0.071	37%	0.374	C	S	.	.	H	α-helix	trans	-67.1	-38.5	175.7	-67.3	-99.5	0	0	0	112.2	F20 F24 D30 I34 S66 A70 N71 L72	F20-Y68 HydrophobicContact CD1-CD1 4.29Å; F20-Y68 HydrophobicContact CD1-CE1 4.19Å; F20-Y68 HydrophobicContact CE1-CD1 4.01Å; F20-Y68 HydrophobicContact CE1-CE1 4.25Å; F24-Y68 HydrophobicContact CB-CE1 4.26Å; F24-Y68 HydrophobicContact CD2-CE1 4.31Å; F24-Y68 HydrophobicContact CG-CE1 4.44Å; D30-Y68 HydrophobicContact CB-CD2 3.15Å; D30-Y68 HydrophobicContact CB-CE2 3.11Å; D30-Y68 HydrophobicContact CB-CG 4.07Å; D30-Y68 WeakPolarHBondContact OD2-CD2 3.45Å; D30-Y68 VanDerWaalsContact OD2-CE2 3.27Å; D30-Y68 WeakPolarHBondContact OD2-CE2 3.49Å; I34-Y68 HydrophobicContact CD1-CD1 3.7Å; I34-Y68 HydrophobicContact CD1-CE1 3.78Å; I34-Y68 HydrophobicContact CD1-CG 4.25Å; S66-Y68 PolarHBondContact O-N 2.82Å; S66-Y68 VanDerWaalsContact O-N 3.13Å; S66-Y68 WeakPolarHBondContact OG-CB 3.28Å; S66-Y68 PolarHBondContact OG-N 3.05Å; Y68-A70 VanDerWaalsContact C-N 3.34Å; Y68-N71 PolarHBondContact O-N 3.37Å; Y68-L72 VanDerWaalsContact O-CB 3.28Å; Y68-L72 WeakPolarHBondContact O-CB 3.46Å; Y68-L72 WeakPolarHBondContact O-CD1 3.33Å; Y68-L72 VanDerWaalsContact O-CG 3.28Å; Y68-L72 WeakPolarHBondContact O-CG 3.03Å; Y68-L72 PolarHBondContact O-N 3.21Å
69	K	54	Low	50.8	Low	42 Å²	42	75 Å²	75	18%	0.183	41%	0.405	C	S	.	.	H	α-helix	trans	-61.6	-45.2	174.5	-172.8	174.8	-173.7	150.4	0	110.8	A59 L62 S66 L72 L73	A59-K69 HydrophobicContact CB-CG 4.06Å; A59-K69 VanDerWaalsContact O-CD 3.3Å; A59-K69 WeakPolarHBondContact O-CD 3.41Å; A59-K69 WeakPolarHBondContact O-CE 3.2Å; A59-K69 WeakPolarHBondContact O-CG 3.31Å; A59-K69 PolarHBondContact O-NZ 2.65Å; A59-K69 VanDerWaalsContact O-NZ 3.11Å; L62-K69 HydrophobicContact CB-CB 4.15Å; L62-K69 HydrophobicContact CD1-CB 4.47Å; L62-K69 PolarHBondContact O-NZ 3.32Å; S66-K69 WeakPolarHBondContact O-CB 3.49Å; S66-K69 PolarHBondContact O-N 2.78Å; K69-L72 PolarHBondContact O-N 2.9Å; K69-L73 HydrophobicContact CG-CD1 3.91Å; K69-L73 HydrophobicContact CG-CG 4.44Å; K69-L73 WeakPolarHBondContact O-CB 3.17Å; K69-L73 WeakPolarHBondContact O-CG 3.35Å; K69-L73 PolarHBondContact O-N 2.95Å
70	A	50.2	Low	49.9	Very low	51 Å²	51	79.3 Å²	79.3	42%	0.421	42%	0.423	S	S	.	.	H	α-helix	trans	-60.9	-47.2	176.7	0	0	0	0	0	111.6	S66 A67 Y68 L73 L74	S66-A70 PolarHBondContact O-N 2.95Å; A67-A70 PolarHBondContact O-N 2.79Å; Y68-A70 VanDerWaalsContact C-N 3.34Å; A70-L73 PolarHBondContact O-N 3.22Å; A70-L74 VanDerWaalsContact O-CB 3.29Å; A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 WeakPolarHBondContact O-CD1 3.28Å; A70-L74 WeakPolarHBondContact O-CG 3.23Å; A70-L74 PolarHBondContact O-N 3.34Å
71	N	51.7	Low	48.5	Very low	74 Å²	74	81.5 Å²	81.5	40%	0.396	43%	0.426	S	S	.	.	H	α-helix	trans	-66.2	-39.7	179.1	-76.3	-40.7	0	0	0	113.2	A67 Y68 L74 G75	A67-N71 PolarHBondContact O-N 3.45Å; A67-N71 PolarHBondContact O-ND2 3.4Å; Y68-N71 PolarHBondContact O-N 3.37Å; N71-L74 PolarHBondContact O-N 2.96Å; N71-G75 PolarHBondContact O-N 3.4Å
72	L	53.1	Low	47.4	Very low	40 Å²	40	82.1 Å²	82.1	21%	0.209	44%	0.438	C	S	.	.	H	α-helix	trans	-64.3	-39.7	174.4	-78.1	164	0	0	0	111.8	A55 I58 A59 L62 Y68 K69 A76	A55-L72 HydrophobicContact CB-CD2 4.32Å; I58-L72 HydrophobicContact CG2-CD1 3.88Å; A59-L72 HydrophobicContact CB-CB 4.4Å; L62-L72 HydrophobicContact CD1-CD1 3.43Å; L62-L72 VanDerWaalsContact CD1-CD1 3.43Å; Y68-L72 VanDerWaalsContact O-CB 3.28Å; Y68-L72 WeakPolarHBondContact O-CB 3.46Å; Y68-L72 WeakPolarHBondContact O-CD1 3.33Å; Y68-L72 VanDerWaalsContact O-CG 3.28Å; Y68-L72 WeakPolarHBondContact O-CG 3.03Å; Y68-L72 PolarHBondContact O-N 3.21Å; K69-L72 PolarHBondContact O-N 2.9Å; L72-A76 VanDerWaalsContact O-CB 3.23Å; L72-A76 WeakPolarHBondContact O-CB 3.19Å; L72-A76 PolarHBondContact O-N 3.32Å
73	L	50.3	Low	46.1	Very low	68 Å²	68	88.2 Å²	88.2	36%	0.356	46%	0.464	S	S	.	.	H	α-helix	trans	-72.8	-36.7	176.8	-68.2	173.5	0	0	0	112.3	A59 K69 A70 A76 N77	A59-L73 HydrophobicContact CB-CD2 3.82Å; A59-L73 HydrophobicContact CB-CG 3.97Å; K69-L73 HydrophobicContact CG-CD1 3.91Å; K69-L73 HydrophobicContact CG-CG 4.44Å; K69-L73 WeakPolarHBondContact O-CB 3.17Å; K69-L73 WeakPolarHBondContact O-CG 3.35Å; K69-L73 PolarHBondContact O-N 2.95Å; A70-L73 PolarHBondContact O-N 3.22Å; L73-A76 PolarHBondContact O-N 3.35Å; L73-N77 PolarHBondContact O-N 2.84Å
74	L	46.8	Very low	44.7	Very low	114 Å²	114	87.1 Å²	87.1	60%	0.597	46%	0.462	S	S	*	.	H	α-helix	trans	-65.9	-40.5	173	-75.8	166.3	0	0	0	111.3	A70 N71 N77	A70-L74 VanDerWaalsContact O-CB 3.29Å; A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 WeakPolarHBondContact O-CD1 3.28Å; A70-L74 WeakPolarHBondContact O-CG 3.23Å; A70-L74 PolarHBondContact O-N 3.34Å; N71-L74 PolarHBondContact O-N 2.96Å; L74-N77 PolarHBondContact O-N 3.3Å
75	G	45.1	Very low	43.3	Very low	27 Å²	27	86.9 Å²	86.9	28%	0.278	46%	0.455	S	S	.	.	H	α-helix	trans	-65.6	-39.7	171.5	0	0	0	0	0	112.4	N71 N77 R78	N71-G75 PolarHBondContact O-N 3.4Å; G75-N77 VanDerWaalsContact C-N 3.26Å; G75-N77 PolarHBondContact O-N 3.47Å; G75-R78 PolarHBondContact O-N 3.35Å
76	A	41.7	Very low	41.8	Very low	26 Å²	26	87.4 Å²	87.4	22%	0.215	45%	0.449	C	S	.	.	H	α-helix	trans	-64.2	-25.7	176.8	0	0	0	0	0	114.4	R56 L72 L73 F80	R56-A76 HydrophobicContact CG-CB 4.49Å; L72-A76 VanDerWaalsContact O-CB 3.23Å; L72-A76 WeakPolarHBondContact O-CB 3.19Å; L72-A76 PolarHBondContact O-N 3.32Å; L73-A76 PolarHBondContact O-N 3.35Å; A76-F80 HydrophobicContact CB-CD2 4.35Å; A76-F80 HydrophobicContact CB-CE2 3.81Å
77	N	39.9	Very low	40.6	Very low	149 Å²	149	90.7 Å²	90.7	80%	0.797	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.4	172.9	-87.2	-28.6	0	0	0	113.6	L73 L74 G75 R79	L73-N77 PolarHBondContact O-N 2.84Å; L74-N77 PolarHBondContact O-N 3.3Å; G75-N77 VanDerWaalsContact C-N 3.26Å; G75-N77 PolarHBondContact O-N 3.47Å; N77-R79 PolarHBondContact O-N 2.84Å
78	R	33.9	Very low	39.2	Very low	214 Å²	214	92.4 Å²	92.4	81%	0.808	48%	0.477	S	S	*	.	S	Bend	trans	-94.3	83.5	170.8	-77.4	-174.9	170.7	179.7	-1.6	109.5	G75 F80	G75-R78 PolarHBondContact O-N 3.35Å; R78-F80 PolarHBondContact O-N 2.96Å
79	R	33.3	Very low	38	Very low	220 Å²	220	98 Å²	98	83%	0.83	51%	0.506	S	S	*	.			trans	30.7	81.8	163.6	-78.9	-174.6	171	177.5	-2.7	114.7	N77 T81	N77-R79 PolarHBondContact O-N 2.84Å; R79-T81 PolarHBondContact O-N 3.13Å
80	F	34.4	Very low	36.8	Very low	92 Å²	92	101.2 Å²	101.2	40%	0.404	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	59.9	153.8	-64.7	-41.8	0	0	0	109.9	A55 A76 R78 F83	A55-F80 HydrophobicContact CB-CE2 3.7Å; A55-F80 HydrophobicContact CB-CZ 4.24Å; A76-F80 HydrophobicContact CB-CD2 4.35Å; A76-F80 HydrophobicContact CB-CE2 3.81Å; R78-F80 PolarHBondContact O-N 2.96Å; F80-F83 HydrophobicContact CB-CD2 4.42Å; F80-F83 AromaticContact CD1-CD2 3.07Å; F80-F83 HydrophobicContact CD1-CD2 3.07Å; F80-F83 AromaticContact CD1-CE2 3.22Å; F80-F83 HydrophobicContact CD1-CE2 3.22Å; F80-F83 HydrophobicContact CD1-CG 4.24Å; F80-F83 HydrophobicContact CD1-CZ 4.43Å; F80-F83 AromaticContact CE1-CD2 3.36Å; F80-F83 HydrophobicContact CE1-CD2 3.36Å; F80-F83 AromaticContact CE1-CE2 2.96Å; F80-F83 HydrophobicContact CE1-CE2 2.96Å; F80-F83 AromaticContact CE1-CZ 3.86Å; F80-F83 HydrophobicContact CE1-CZ 3.86Å; F80-F83 AromaticContact CG-CD2 3.87Å; F80-F83 HydrophobicContact CG-CD2 3.87Å; F80-F83 HydrophobicContact CG-CE2 4.34Å; F80-F83 HydrophobicContact CZ-CD2 4.28Å; F80-F83 AromaticContact CZ-CE2 3.9Å; F80-F83 HydrophobicContact CZ-CE2 3.9Å; F80-F83 HydrophobicContact CZ-CZ 4.48Å
81	T	29.7	Very low	35.8	Very low	98 Å²	98	105.6 Å²	105.6	60%	0.601	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-15.9	159.1	22.6	0	0	0	0	111.4	R79	R79-T81 PolarHBondContact O-N 3.13Å
82	D	32.2	Very low	34.7	Very low	125 Å²	125	107.2 Å²	107.2	67%	0.668	55%	0.553	S	S	*	*			trans	-144.2	66.8	174.1	-74.1	-54.6	0	0	0	112.2
83	F	29.7	Very low	33.6	Very low	134 Å²	134	110.5 Å²	110.5	59%	0.588	57%	0.571	S	S	*	*				-89.6	71.6	129.3	-84.1	-109.4	0	0	0	105.5	F80	F80-F83 HydrophobicContact CB-CD2 4.42Å; F80-F83 AromaticContact CD1-CD2 3.07Å; F80-F83 HydrophobicContact CD1-CD2 3.07Å; F80-F83 AromaticContact CD1-CE2 3.22Å; F80-F83 HydrophobicContact CD1-CE2 3.22Å; F80-F83 HydrophobicContact CD1-CG 4.24Å; F80-F83 HydrophobicContact CD1-CZ 4.43Å; F80-F83 AromaticContact CE1-CD2 3.36Å; F80-F83 HydrophobicContact CE1-CD2 3.36Å; F80-F83 AromaticContact CE1-CE2 2.96Å; F80-F83 HydrophobicContact CE1-CE2 2.96Å; F80-F83 AromaticContact CE1-CZ 3.86Å; F80-F83 HydrophobicContact CE1-CZ 3.86Å; F80-F83 AromaticContact CG-CD2 3.87Å; F80-F83 HydrophobicContact CG-CD2 3.87Å; F80-F83 HydrophobicContact CG-CE2 4.34Å; F80-F83 HydrophobicContact CZ-CD2 4.28Å; F80-F83 AromaticContact CZ-CE2 3.9Å; F80-F83 HydrophobicContact CZ-CE2 3.9Å; F80-F83 HydrophobicContact CZ-CZ 4.48Å
84	S	28	Very low	32.8	Very low	47 Å²	47	115 Å²	115	33%	0.329	59%	0.59	S	S	.	*				-60.8	124.5	126.9	59.9	0	0	0	0	103.4	Q86	S84-Q86 VanDerWaalsContact CB-N 3.31Å; S84-Q86 PolarHBondContact O-N 3Å; S84-Q86 PolarHBondContact OG-N 2.84Å
85	L	31.9	Very low	32.1	Very low	102 Å²	102	113.6 Å²	113.6	53%	0.534	59%	0.59	S	S	.	*			trans	-59.9	75.8	134.9	-93.9	136.4	0	0	0	104.6	W13 A87	W13-L85 HydrophobicContact CZ2-CD1 4.35Å; L85-A87 WeakPolarHBondContact O-CB 3.48Å; L85-A87 PolarHBondContact O-N 3.24Å
86	Q	25.6	Very low	31.3	Very low	130 Å²	130	118.6 Å²	118.6	61%	0.607	61%	0.609	S	S	*	*				-58.8	103	126	-95.3	175.4	-26.5	0	0	100.8	S84 D88	S84-Q86 VanDerWaalsContact CB-N 3.31Å; S84-Q86 PolarHBondContact O-N 3Å; S84-Q86 PolarHBondContact OG-N 2.84Å; Q86-D88 VanDerWaalsContact CB-N 3.28Å; Q86-D88 PolarHBondContact O-N 3.37Å
87	A	31.3	Very low	30.7	Very low	73 Å²	73	125.6 Å²	125.6	60%	0.603	64%	0.635	S	S	*	*			cis	28.6	30.9	39.7	0	0	0	0	0	111.7	L85 I89	L85-A87 WeakPolarHBondContact O-CB 3.48Å; L85-A87 PolarHBondContact O-N 3.24Å; A87-I89 PolarHBondContact O-N 2.91Å
88	D	28.1	Very low	30.5	Very low	97 Å²	97	130.2 Å²	130.2	52%	0.519	64%	0.643	S	S	.	*				-54.1	110.6	126.7	-73	-22	0	0	0	101	Q86 V90	Q86-D88 VanDerWaalsContact CB-N 3.28Å; Q86-D88 PolarHBondContact O-N 3.37Å; D88-V90 PolarHBondContact O-N 2.82Å
89	I	27.1	Very low	30.5	Very low	135 Å²	135	132.9 Å²	132.9	69%	0.692	67%	0.665	S	S	*	*				34.3	43.6	72.5	-39.7	178.6	0	0	0	108.7	A87 N91	A87-I89 PolarHBondContact O-N 2.91Å; I89-N91 PolarHBondContact O-N 3.43Å
90	V	28.7	Very low	30.4	Very low	110 Å²	110	128.6 Å²	128.6	67%	0.667	66%	0.656	S	S	*	*			trans	-63.2	98	132.2	-166.9	0	0	0	0	102.7	D88 I92	D88-V90 PolarHBondContact O-N 2.82Å; V90-I92 HydrophobicContact CB-CG1 3.9Å; V90-I92 HydrophobicContact CG1-CD1 4.09Å; V90-I92 HydrophobicContact CG1-CG1 3.31Å; V90-I92 PolarHBondContact O-N 3.33Å
91	N	29.6	Very low	30.2	Very low	142 Å²	142	130.5 Å²	130.5	76%	0.759	67%	0.67	S	S	*	*			trans	-47	77.3	146.2	-92.9	-33.6	0	0	0	107.1	I89 D93	I89-N91 PolarHBondContact O-N 3.43Å; N91-D93 PolarHBondContact O-N 3.4Å
92	I	28.6	Very low	30.2	Very low	108 Å²	108	132.3 Å²	132.3	55%	0.554	67%	0.673	S	S	*	*			trans	-84.6	79.8	154.3	-49.2	-177.4	0	0	0	103.2	V90 H94	V90-I92 HydrophobicContact CB-CG1 3.9Å; V90-I92 HydrophobicContact CG1-CD1 4.09Å; V90-I92 HydrophobicContact CG1-CG1 3.31Å; V90-I92 PolarHBondContact O-N 3.33Å; I92-H94 WeakPolarHBondContact CG2-CD2 3.19Å; I92-H94 PolarHBondContact O-N 3.43Å
93	D	30.4	Very low	30.1	Very low	110 Å²	110	132.7 Å²	132.7	59%	0.588	67%	0.674	S	S	*	*			trans	-55.9	98.4	154.1	-174.4	12.7	0	0	0	106.9	N91 S95	N91-D93 PolarHBondContact O-N 3.4Å; D93-S95 PolarHBondContact O-N 2.82Å; D93-S95 WeakPolarHBondContact OD1-CB 3.29Å; D93-S95 PolarHBondContact OD1-N 3.18Å; D93-S95 PolarHBondContact OD1-OG 3.02Å; D93-S95 PolarHBondContact OD2-OG 3.43Å
94	H	34	Very low	30.1	Very low	162 Å²	162	132.6 Å²	132.6	75%	0.75	68%	0.679	S	S	*	*			trans	-81.4	26.5	170.1	-100.1	-75.6	0	0	0	110.9	I92 L96	I92-H94 WeakPolarHBondContact CG2-CD2 3.19Å; I92-H94 PolarHBondContact O-N 3.43Å; H94-L96 PolarHBondContact O-N 3.29Å; H94-L96 VanDerWaalsContact O-N 3.08Å
95	S	31.6	Very low	30.3	Very low	85 Å²	85	138.3 Å²	138.3	59%	0.594	70%	0.702	S	S	*	*			trans	-64.3	-2	169.1	66.7	0	0	0	0	114.2	D93 K97	D93-S95 PolarHBondContact O-N 2.82Å; D93-S95 WeakPolarHBondContact OD1-CB 3.29Å; D93-S95 PolarHBondContact OD1-N 3.18Å; D93-S95 PolarHBondContact OD1-OG 3.02Å; D93-S95 PolarHBondContact OD2-OG 3.43Å; S95-K97 PolarHBondContact O-N 3.45Å
96	L	27.7	Very low	30.2	Very low	131 Å²	131	140.9 Å²	140.9	69%	0.686	72%	0.715	S	S	*	*	S	Bend	trans	-89.6	95.6	172	-71.3	165.8	0	0	0	111.9	H94	H94-L96 PolarHBondContact O-N 3.29Å; H94-L96 VanDerWaalsContact O-N 3.08Å
97	K	30.1	Very low	30.5	Very low	174 Å²	174	141.8 Å²	141.8	76%	0.757	72%	0.723	S	S	*	*			trans	79.8	75	141.5	-54.6	-177.5	-179.6	-176.5	0	118.2	S95	S95-K97 PolarHBondContact O-N 3.45Å
98	Y	35.4	Very low	30.5	Very low	246 Å²	246	147.5 Å²	147.5	97%	0.965	73%	0.733	S	S	*	*			trans	-135.7	78.4	134.8	-77.1	-82.4	0	0	0	107.9
99	Q	34.1	Very low	30.7	Very low	270 Å²	270	152.1 Å²	152.1	100%	1.262	75%	0.752	S	S	*	*			trans	-90	0	141.5	-82.3	-171.7	-20.7	0	0	107.1

Retrieved 99 of 99 residues in 242 ms (Link to these results)

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