A0A5K4F9U2_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F9U2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 102 aa.

						>A0A5K4F9U2_SCHMA|A0A5K4F9U2
MLNNNNQMVIQFIFILCLSSSLSISLLSMFVANSCEAYYLPMKYNLDHDLIDYLTNINELKYYPRQIRSFYSREELVHYLNHMLQEEEASMNKLPISPLRFG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	47.2	Very low	243 Å²	243	117.3 Å²	117.3	100%	1.197	60%	0.601	S	S	*	*				0	102.3	0	-87.1	171.4	143.4	0	0	107.6	N3	M1-N3 PolarHBondContact O-N 2.78Å
2	L	33	Very low	47.9	Very low	131 Å²	131	118.3 Å²	118.3	69%	0.686	60%	0.599	S	S	*	*			trans	-66.4	118.4	169.8	-105.1	119.9	0	0	0	107.1	N4 N6	L2-N4 PolarHBondContact O-N 3.28Å; L2-N6 HydrophobicContact CD2-CB 4.06Å
3	N	44.1	Very low	48.7	Very low	107 Å²	107	112.7 Å²	112.7	57%	0.572	57%	0.57	S	S	*	*			trans	-56.9	131.6	-176.7	-155.9	-4.3	0	0	0	109.1	M1 N5 N6	M1-N3 PolarHBondContact O-N 2.78Å; N3-N5 PolarHBondContact O-N 2.7Å; N3-N6 PolarHBondContact O-N 2.7Å
4	N	48.2	Very low	49.2	Very low	120 Å²	120	114.3 Å²	114.3	64%	0.642	57%	0.572	S	S	*	*	H	α-helix	trans	-50.8	-26.2	-175.3	-77.2	-16.5	0	0	0	113.3	L2 Q7 M8	L2-N4 PolarHBondContact O-N 3.28Å; N4-Q7 PolarHBondContact O-N 2.91Å; N4-M8 PolarHBondContact O-N 3.22Å
5	N	49.8	Very low	49.5	Very low	101 Å²	101	113.6 Å²	113.6	54%	0.54	57%	0.569	S	S	.	*	H	α-helix	trans	-62.6	-41.6	174.1	-74.9	-2.7	0	0	0	113.4	N3 Q7 M8 V9	N3-N5 PolarHBondContact O-N 2.7Å; N5-Q7 VanDerWaalsContact C-N 3.28Å; N5-Q7 PolarHBondContact O-N 2.79Å; N5-M8 PolarHBondContact O-N 3.19Å; N5-V9 WeakPolarHBondContact O-CG2 3.46Å; N5-V9 PolarHBondContact O-N 3.34Å; N5-V9 VanDerWaalsContact O-N 3.08Å
6	N	48.8	Very low	49.6	Very low	83 Å²	83	108.1 Å²	108.1	44%	0.444	54%	0.542	S	S	.	.	H	α-helix	trans	-68	-34.1	-178.6	-67.1	3.9	0	0	0	110.9	L2 N3 V9 I10	L2-N6 HydrophobicContact CD2-CB 4.06Å; N3-N6 PolarHBondContact O-N 2.7Å; N6-V9 PolarHBondContact O-N 3.26Å; N6-I10 WeakPolarHBondContact O-CB 3.29Å; N6-I10 WeakPolarHBondContact O-CD1 3.16Å; N6-I10 WeakPolarHBondContact O-CG1 3.08Å; N6-I10 PolarHBondContact O-N 2.92Å
7	Q	45.3	Very low	49.7	Very low	109 Å²	109	105.3 Å²	105.3	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-69.5	-37.8	178.9	-147.1	171.9	5	0	0	111.5	N4 N5 Q11	N4-Q7 PolarHBondContact O-N 2.91Å; N5-Q7 VanDerWaalsContact C-N 3.28Å; N5-Q7 PolarHBondContact O-N 2.79Å; Q7-Q11 WeakPolarHBondContact O-CB 3.32Å; Q7-Q11 VanDerWaalsContact O-CG 3.23Å; Q7-Q11 WeakPolarHBondContact O-CG 3.45Å; Q7-Q11 PolarHBondContact O-N 3.35Å
8	M	53.2	Low	49.8	Very low	120 Å²	120	106.9 Å²	106.9	59%	0.591	54%	0.544	S	S	*	.	H	α-helix	trans	-68.9	-39	174.4	-69.5	-152.6	-61.5	0	0	113.1	N4 N5 Q11 F12	N4-M8 PolarHBondContact O-N 3.22Å; N5-M8 PolarHBondContact O-N 3.19Å; M8-Q11 PolarHBondContact O-N 3.48Å; M8-F12 VanDerWaalsContact O-CB 3.31Å; M8-F12 WeakPolarHBondContact O-CB 3.48Å; M8-F12 PolarHBondContact O-N 3.36Å
9	V	55	Low	49.7	Very low	71 Å²	71	103.9 Å²	103.9	43%	0.43	53%	0.533	S	S	.	.	H	α-helix	trans	-63.6	-43.5	175.9	172.9	0	0	0	0	110.7	N5 N6 Q11 F12 I13	N5-V9 WeakPolarHBondContact O-CG2 3.46Å; N5-V9 PolarHBondContact O-N 3.34Å; N5-V9 VanDerWaalsContact O-N 3.08Å; N6-V9 PolarHBondContact O-N 3.26Å; V9-Q11 PolarHBondContact O-N 2.87Å; V9-F12 PolarHBondContact O-N 3.21Å; V9-I13 HydrophobicContact CG1-CD1 3.78Å; V9-I13 HydrophobicContact CG1-CG1 4.45Å; V9-I13 WeakPolarHBondContact O-CB 3.22Å; V9-I13 WeakPolarHBondContact O-CG1 3.47Å; V9-I13 PolarHBondContact O-N 2.87Å
10	I	53.4	Low	49.3	Very low	98 Å²	98	104 Å²	104	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-63.4	-42.2	176.2	-68.2	165.2	0	0	0	110.9	N6 I13 F14	N6-I10 WeakPolarHBondContact O-CB 3.29Å; N6-I10 WeakPolarHBondContact O-CD1 3.16Å; N6-I10 WeakPolarHBondContact O-CG1 3.08Å; N6-I10 PolarHBondContact O-N 2.92Å; I10-I13 PolarHBondContact O-N 3.4Å; I10-F14 WeakPolarHBondContact O-CB 3.41Å; I10-F14 PolarHBondContact O-N 3.24Å
11	Q	51.8	Low	49.4	Very low	107 Å²	107	102.9 Å²	102.9	50%	0.5	55%	0.545	S	S	.	.	H	α-helix	trans	-65	-40.4	176.3	-75.4	171.7	-14	0	0	112.2	Q7 M8 V9 F14 I15	Q7-Q11 WeakPolarHBondContact O-CB 3.32Å; Q7-Q11 VanDerWaalsContact O-CG 3.23Å; Q7-Q11 WeakPolarHBondContact O-CG 3.45Å; Q7-Q11 PolarHBondContact O-N 3.35Å; M8-Q11 PolarHBondContact O-N 3.48Å; V9-Q11 PolarHBondContact O-N 2.87Å; Q11-F14 WeakPolarHBondContact O-CB 3.42Å; Q11-F14 PolarHBondContact O-N 2.98Å; Q11-I15 WeakPolarHBondContact O-CB 3.4Å; Q11-I15 WeakPolarHBondContact O-CD1 3.32Å; Q11-I15 WeakPolarHBondContact O-CG1 3.36Å; Q11-I15 PolarHBondContact O-N 3.47Å
12	F	56	Low	49.9	Very low	130 Å²	130	96.2 Å²	96.2	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-65.3	-43.9	177	-173.4	-107.2	0	0	0	111.5	M8 V9 F14 I15 L16	M8-F12 VanDerWaalsContact O-CB 3.31Å; M8-F12 WeakPolarHBondContact O-CB 3.48Å; M8-F12 PolarHBondContact O-N 3.36Å; V9-F12 PolarHBondContact O-N 3.21Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 2.96Å; F12-I15 PolarHBondContact O-N 2.98Å; F12-L16 HydrophobicContact CD1-CD1 3.47Å; F12-L16 VanDerWaalsContact CD1-CD1 3.47Å; F12-L16 HydrophobicContact CD2-CD1 4.09Å; F12-L16 HydrophobicContact CE1-CD1 3.2Å; F12-L16 HydrophobicContact CE2-CD1 3.85Å; F12-L16 HydrophobicContact CG-CD1 3.91Å; F12-L16 HydrophobicContact CZ-CD1 3.42Å; F12-L16 VanDerWaalsContact CZ-CD1 3.42Å; F12-L16 VanDerWaalsContact O-CD1 3.29Å; F12-L16 WeakPolarHBondContact O-CD1 3.49Å; F12-L16 PolarHBondContact O-N 2.91Å
13	I	58.1	Low	50.7	Low	45 Å²	45	90.9 Å²	90.9	23%	0.231	49%	0.487	C	S	.	.	H	α-helix	trans	-56.4	-46.4	170.8	-72.2	168.3	0	0	0	110.6	V9 I10 I15 L16 C17 L27 V31	V9-I13 HydrophobicContact CG1-CD1 3.78Å; V9-I13 HydrophobicContact CG1-CG1 4.45Å; V9-I13 WeakPolarHBondContact O-CB 3.22Å; V9-I13 WeakPolarHBondContact O-CG1 3.47Å; V9-I13 PolarHBondContact O-N 2.87Å; I10-I13 PolarHBondContact O-N 3.4Å; I13-I15 PolarHBondContact O-N 2.88Å; I13-L16 PolarHBondContact O-N 3.33Å; I13-C17 WeakPolarHBondContact O-CB 3.32Å; I13-C17 PolarHBondContact O-N 3.47Å; I13-C17 PolarHBondContact O-SG 3.24Å; I13-L27 HydrophobicContact CB-CD1 4.25Å; I13-L27 HydrophobicContact CB-CD2 3.87Å; I13-L27 HydrophobicContact CB-CG 4.29Å; I13-L27 HydrophobicContact CG1-CD1 3.83Å; I13-L27 HydrophobicContact CG1-CD2 4.18Å; I13-L27 HydrophobicContact CG1-CG 4.04Å; I13-L27 HydrophobicContact CG2-CD2 3.48Å; I13-L27 VanDerWaalsContact CG2-CD2 3.48Å; I13-L27 HydrophobicContact CG2-CG 4.17Å; I13-L27 WeakPolarHBondContact O-CD2 3.49Å; I13-V31 HydrophobicContact CD1-CG2 4.08Å
14	F	56	Low	50.9	Low	135 Å²	135	89.8 Å²	89.8	59%	0.592	48%	0.48	S	S	*	.	H	α-helix	trans	-64	-38.7	178.5	-138.9	-94	0	0	0	112.8	I10 Q11 F12 C17 L18	I10-F14 WeakPolarHBondContact O-CB 3.41Å; I10-F14 PolarHBondContact O-N 3.24Å; Q11-F14 WeakPolarHBondContact O-CB 3.42Å; Q11-F14 PolarHBondContact O-N 2.98Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 2.96Å; F14-C17 PolarHBondContact O-N 3.14Å; F14-L18 HydrophobicContact CD1-CD1 3.71Å; F14-L18 HydrophobicContact CD1-CG 4.31Å; F14-L18 HydrophobicContact CE1-CD1 4.05Å; F14-L18 WeakPolarHBondContact O-CG 3.12Å; F14-L18 PolarHBondContact O-N 3.41Å
15	I	54	Low	50.8	Low	104 Å²	104	84.9 Å²	84.9	53%	0.533	46%	0.455	S	S	.	.	H	α-helix	trans	-67.2	-42.6	176.7	-70.4	163.2	0	0	0	111	Q11 F12 I13 C17 L18 S19	Q11-I15 WeakPolarHBondContact O-CB 3.4Å; Q11-I15 WeakPolarHBondContact O-CD1 3.32Å; Q11-I15 WeakPolarHBondContact O-CG1 3.36Å; Q11-I15 PolarHBondContact O-N 3.47Å; F12-I15 PolarHBondContact O-N 2.98Å; I13-I15 PolarHBondContact O-N 2.88Å; I15-C17 VanDerWaalsContact C-N 3.31Å; I15-C17 PolarHBondContact O-N 3.01Å; I15-L18 PolarHBondContact O-N 2.96Å; I15-S19 WeakPolarHBondContact O-CB 3.23Å; I15-S19 PolarHBondContact O-N 3.32Å; I15-S19 PolarHBondContact O-OG 2.6Å
16	L	51.1	Low	50.7	Low	25 Å²	25	80.9 Å²	80.9	13%	0.131	43%	0.434	C	S	.	.	H	α-helix	trans	-66.3	-31.6	173.8	-91.5	114.6	0	0	0	112.5	F12 I13 S23 L26 L27	F12-L16 HydrophobicContact CD1-CD1 3.47Å; F12-L16 VanDerWaalsContact CD1-CD1 3.47Å; F12-L16 HydrophobicContact CD2-CD1 4.09Å; F12-L16 HydrophobicContact CE1-CD1 3.2Å; F12-L16 HydrophobicContact CE2-CD1 3.85Å; F12-L16 HydrophobicContact CG-CD1 3.91Å; F12-L16 HydrophobicContact CZ-CD1 3.42Å; F12-L16 VanDerWaalsContact CZ-CD1 3.42Å; F12-L16 VanDerWaalsContact O-CD1 3.29Å; F12-L16 WeakPolarHBondContact O-CD1 3.49Å; F12-L16 PolarHBondContact O-N 2.91Å; I13-L16 PolarHBondContact O-N 3.33Å; L16-S23 WeakPolarHBondContact CD2-O 3.13Å; L16-S23 WeakPolarHBondContact O-CB 3.25Å; L16-S23 PolarHBondContact O-OG 2.72Å; L16-L26 HydrophobicContact CD2-CB 4.42Å; L16-L27 HydrophobicContact CB-CD1 3.63Å; L16-L27 HydrophobicContact CB-CD2 4.01Å; L16-L27 HydrophobicContact CB-CG 4.29Å; L16-L27 HydrophobicContact CD1-CD1 3.83Å; L16-L27 HydrophobicContact CD2-CD1 3.99Å; L16-L27 HydrophobicContact CG-CD1 4.01Å
17	C	50.8	Low	50.7	Low	61 Å²	61	77.6 Å²	77.6	41%	0.412	42%	0.416	S	S	.	.	H	α-helix	trans	-70.8	-32.2	173.4	-75.6	0	0	0	0	114	I13 F14 I15 L27	I13-C17 WeakPolarHBondContact O-CB 3.32Å; I13-C17 PolarHBondContact O-N 3.47Å; I13-C17 PolarHBondContact O-SG 3.24Å; F14-C17 PolarHBondContact O-N 3.14Å; I15-C17 VanDerWaalsContact C-N 3.31Å; I15-C17 PolarHBondContact O-N 3.01Å; C17-L27 WeakPolarHBondContact SG-CD2 3.39Å
18	L	51.4	Low	50.7	Low	134 Å²	134	75.6 Å²	75.6	70%	0.702	42%	0.415	S	S	*	.	H	α-helix	trans	-84.8	-14.5	177.6	-70.4	168.4	0	0	0	113	F14 I15	F14-L18 HydrophobicContact CD1-CD1 3.71Å; F14-L18 HydrophobicContact CD1-CG 4.31Å; F14-L18 HydrophobicContact CE1-CD1 4.05Å; F14-L18 WeakPolarHBondContact O-CG 3.12Å; F14-L18 PolarHBondContact O-N 3.41Å; I15-L18 PolarHBondContact O-N 2.96Å
19	S	47.3	Very low	50.3	Low	50 Å²	50	71.1 Å²	71.1	35%	0.35	39%	0.393	S	S	.	.	S	Bend	trans	-84.4	122.6	178.2	-60.4	0	0	0	0	110	I15 S21 S23	I15-S19 WeakPolarHBondContact O-CB 3.23Å; I15-S19 PolarHBondContact O-N 3.32Å; I15-S19 PolarHBondContact O-OG 2.6Å; S19-S21 PolarHBondContact O-N 2.7Å; S19-S23 WeakPolarHBondContact CB-OG 3.2Å; S19-S23 PolarHBondContact O-OG 3.31Å
20	S	43.3	Very low	50.1	Low	106 Å²	106	70.3 Å²	70.3	74%	0.741	38%	0.383	S	S	*	.			trans	-29.6	111.5	-179.3	19.6	0	0	0	0	114.5	L22	S20-L22 PolarHBondContact O-N 3.47Å
21	S	51.3	Low	49.8	Very low	81 Å²	81	68.5 Å²	68.5	57%	0.566	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.1	-34.7	160.9	61	0	0	0	0	120.8	S19 R73	S19-S21 PolarHBondContact O-N 2.7Å; S21-R73 PolarHBondContact O-NH1 3.24Å; S21-R73 PolarHBondContact O-NH2 3.44Å
22	L	46.2	Very low	49.6	Very low	103 Å²	103	65.4 Å²	65.4	54%	0.539	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-37.7	179.6	-117	87.3	0	0	0	113.1	S20	S20-L22 PolarHBondContact O-N 3.47Å
23	S	49.8	Very low	49	Very low	19 Å²	19	61.6 Å²	61.6	13%	0.133	36%	0.355	C	S	.	.	H	α-helix	trans	-81.9	-20	-166.6	10.8	0	0	0	0	114.1	L16 S19 L27	L16-S23 WeakPolarHBondContact CD2-O 3.13Å; L16-S23 WeakPolarHBondContact O-CB 3.25Å; L16-S23 PolarHBondContact O-OG 2.72Å; S19-S23 WeakPolarHBondContact CB-OG 3.2Å; S19-S23 PolarHBondContact O-OG 3.31Å; S23-L27 WeakPolarHBondContact O-CB 3.37Å; S23-L27 PolarHBondContact O-N 2.65Å
24	I	48.5	Very low	48.3	Very low	83 Å²	83	61 Å²	61	43%	0.426	36%	0.355	S	S	.	.	H	α-helix	trans	-69.5	-34.4	177.1	-67.3	160.7	0	0	0	112.2	L27 S28	I24-L27 PolarHBondContact O-N 2.73Å; I24-S28 PolarHBondContact O-N 2.8Å; I24-S28 VanDerWaalsContact O-N 3.14Å; I24-S28 PolarHBondContact O-OG 3.19Å
25	S	45.5	Very low	47.6	Very low	17 Å²	17	58.4 Å²	58.4	12%	0.119	35%	0.352	C	S	.	.	H	α-helix	trans	-76.4	-32.7	-178.7	-157.4	0	0	0	0	112.6	L27 S28 M29	S25-L27 PolarHBondContact O-N 2.88Å; S25-S28 PolarHBondContact O-OG 2.66Å; S25-M29 PolarHBondContact O-N 3.13Å
26	L	47.3	Very low	47.1	Very low	18 Å²	18	57.2 Å²	57.2	9%	0.094	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-34	173	-75.6	165	0	0	0	111.4	L16 F30 Y53 L54 I57	L16-L26 HydrophobicContact CD2-CB 4.42Å; L26-F30 PolarHBondContact O-N 3.38Å; L26-Y53 HydrophobicContact CD2-CD1 3.6Å; L26-Y53 HydrophobicContact CD2-CE1 3.36Å; L26-Y53 HydrophobicContact CG-CE1 4.47Å; L26-L54 HydrophobicContact CB-CD2 4.18Å; L26-L54 HydrophobicContact CD1-CD2 3.84Å; L26-L54 HydrophobicContact CD2-CD2 3.42Å; L26-L54 VanDerWaalsContact CD2-CD2 3.42Å; L26-L54 HydrophobicContact CD2-CG 4.18Å; L26-L54 HydrophobicContact CG-CD2 4Å; L26-I57 HydrophobicContact CD1-CD1 3.58Å; L26-I57 HydrophobicContact CD2-CD1 3.4Å; L26-I57 VanDerWaalsContact CD2-CD1 3.4Å; L26-I57 HydrophobicContact CG-CD1 3.77Å
27	L	49.2	Very low	46.5	Very low	13 Å²	13	56.4 Å²	56.4	7%	0.068	34%	0.342	C	S	.	.	H	α-helix	trans	-81	-38.8	-174.5	-152.8	76.4	0	0	0	113.2	I13 L16 C17 S23 I24 S25 M29 F30 V31	I13-L27 HydrophobicContact CB-CD1 4.25Å; I13-L27 HydrophobicContact CB-CD2 3.87Å; I13-L27 HydrophobicContact CB-CG 4.29Å; I13-L27 HydrophobicContact CG1-CD1 3.83Å; I13-L27 HydrophobicContact CG1-CD2 4.18Å; I13-L27 HydrophobicContact CG1-CG 4.04Å; I13-L27 HydrophobicContact CG2-CD2 3.48Å; I13-L27 VanDerWaalsContact CG2-CD2 3.48Å; I13-L27 HydrophobicContact CG2-CG 4.17Å; I13-L27 WeakPolarHBondContact O-CD2 3.49Å; L16-L27 HydrophobicContact CB-CD1 3.63Å; L16-L27 HydrophobicContact CB-CD2 4.01Å; L16-L27 HydrophobicContact CB-CG 4.29Å; L16-L27 HydrophobicContact CD1-CD1 3.83Å; L16-L27 HydrophobicContact CD2-CD1 3.99Å; L16-L27 HydrophobicContact CG-CD1 4.01Å; C17-L27 WeakPolarHBondContact SG-CD2 3.39Å; S23-L27 WeakPolarHBondContact O-CB 3.37Å; S23-L27 PolarHBondContact O-N 2.65Å; I24-L27 PolarHBondContact O-N 2.73Å; S25-L27 PolarHBondContact O-N 2.88Å; L27-M29 VanDerWaalsContact C-N 3.32Å; L27-F30 WeakPolarHBondContact O-CB 3.37Å; L27-F30 PolarHBondContact O-N 3Å; L27-V31 VanDerWaalsContact O-CG2 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.47Å; L27-V31 PolarHBondContact O-N 3.48Å
28	S	45.3	Very low	45.8	Very low	68 Å²	68	62.6 Å²	62.6	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-67	-36.3	176.3	59.3	0	0	0	0	111.8	I24 S25 V31 A32	I24-S28 PolarHBondContact O-N 2.8Å; I24-S28 VanDerWaalsContact O-N 3.14Å; I24-S28 PolarHBondContact O-OG 3.19Å; S25-S28 PolarHBondContact O-OG 2.66Å; S28-V31 PolarHBondContact O-N 3.45Å; S28-A32 WeakPolarHBondContact O-CB 3.39Å; S28-A32 PolarHBondContact O-N 2.96Å
29	M	45.4	Very low	45.3	Very low	26 Å²	26	66.5 Å²	66.5	13%	0.128	37%	0.365	C	S	.	.	H	α-helix	trans	-66.2	-37.3	170.3	-100.1	-177.1	83	0	0	112.4	S25 L27 V31 N33 L50 Y53 L80	S25-M29 PolarHBondContact O-N 3.13Å; L27-M29 VanDerWaalsContact C-N 3.32Å; M29-V31 VanDerWaalsContact C-N 3.34Å; M29-N33 WeakPolarHBondContact O-CB 3.12Å; M29-N33 PolarHBondContact O-N 3.38Å; M29-L50 HydrophobicContact CB-CD1 3.83Å; M29-Y53 HydrophobicContact CE-CD1 4.47Å; M29-Y53 HydrophobicContact SD-CD1 4.44Å; M29-Y53 HydrophobicContact SD-CE1 3.97Å; M29-L80 HydrophobicContact CG-CD1 4.07Å; M29-L80 HydrophobicContact SD-CD1 3.81Å; M29-L80 HydrophobicContact SD-CD2 4.45Å
30	F	50.2	Low	44.6	Very low	53 Å²	53	69.3 Å²	69.3	23%	0.232	38%	0.375	C	S	.	.	H	α-helix	trans	-63.6	-41.3	174.5	-161	-132.9	0	0	0	112.1	L26 L27 S34 L46 D47 L50	L26-F30 PolarHBondContact O-N 3.38Å; L27-F30 WeakPolarHBondContact O-CB 3.37Å; L27-F30 PolarHBondContact O-N 3Å; F30-S34 WeakPolarHBondContact O-CB 2.98Å; F30-S34 PolarHBondContact O-N 3.47Å; F30-S34 VanDerWaalsContact O-N 3.13Å; F30-S34 PolarHBondContact O-OG 3.24Å; F30-L46 HydrophobicContact CD2-CD2 3.89Å; F30-L46 HydrophobicContact CE2-CD2 4.46Å; F30-L46 WeakPolarHBondContact O-CD2 3.5Å; F30-D47 WeakPolarHBondContact CE2-OD1 3.39Å; F30-D47 WeakPolarHBondContact CZ-OD1 3.44Å; F30-L50 HydrophobicContact CB-CD1 4.27Å; F30-L50 HydrophobicContact CB-CD2 3.45Å; F30-L50 VanDerWaalsContact CB-CD2 3.45Å; F30-L50 HydrophobicContact CB-CG 4.43Å; F30-L50 HydrophobicContact CD2-CB 3.9Å; F30-L50 HydrophobicContact CD2-CD2 3.06Å; F30-L50 HydrophobicContact CD2-CG 3.95Å; F30-L50 HydrophobicContact CE2-CB 4.46Å; F30-L50 HydrophobicContact CE2-CD2 3.9Å; F30-L50 HydrophobicContact CG-CD2 3.43Å; F30-L50 VanDerWaalsContact CG-CD2 3.43Å
31	V	48.1	Very low	44.1	Very low	60 Å²	60	70.3 Å²	70.3	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-79.2	-41.9	-171	170.4	0	0	0	0	111.8	I13 L27 S28 M29 N33 C35	I13-V31 HydrophobicContact CD1-CG2 4.08Å; L27-V31 VanDerWaalsContact O-CG2 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.47Å; L27-V31 PolarHBondContact O-N 3.48Å; S28-V31 PolarHBondContact O-N 3.45Å; M29-V31 VanDerWaalsContact C-N 3.34Å; V31-N33 VanDerWaalsContact C-N 3.27Å; V31-N33 PolarHBondContact O-N 3.47Å; V31-C35 VanDerWaalsContact O-CB 3.29Å; V31-C35 WeakPolarHBondContact O-CB 3.47Å; V31-C35 PolarHBondContact O-N 3.21Å; V31-C35 PolarHBondContact O-SG 3.46Å
32	A	47.1	Very low	43.2	Very low	43 Å²	43	74 Å²	74	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-44.1	177.2	0	0	0	0	0	110.7	S28 C35 E36	S28-A32 WeakPolarHBondContact O-CB 3.39Å; S28-A32 PolarHBondContact O-N 2.96Å; A32-C35 PolarHBondContact O-N 3.45Å; A32-E36 PolarHBondContact O-N 3.21Å
33	N	42.9	Very low	42.7	Very low	50 Å²	50	77 Å²	77	27%	0.267	40%	0.398	S	S	.	.	H	α-helix	trans	-78.5	-36.2	-166.4	-146.6	23.2	0	0	0	106.3	M29 V31 C35 E36 A37 L46	M29-N33 WeakPolarHBondContact O-CB 3.12Å; M29-N33 PolarHBondContact O-N 3.38Å; V31-N33 VanDerWaalsContact C-N 3.27Å; V31-N33 PolarHBondContact O-N 3.47Å; N33-C35 VanDerWaalsContact C-N 3.29Å; N33-C35 PolarHBondContact O-N 2.84Å; N33-E36 PolarHBondContact O-N 3.21Å; N33-A37 PolarHBondContact O-N 3.14Å; N33-L46 HydrophobicContact CB-CD1 3.26Å; N33-L46 HydrophobicContact CB-CD2 3.37Å; N33-L46 HydrophobicContact CB-CG 3.37Å; N33-L46 WeakPolarHBondContact O-CD1 3.21Å
34	S	44	Very low	42.3	Very low	31 Å²	31	80.2 Å²	80.2	22%	0.217	41%	0.408	C	S	.	.	H	α-helix	trans	-79.5	-12.7	178.9	43	0	0	0	0	112.3	F30 A37 Y38	F30-S34 WeakPolarHBondContact O-CB 2.98Å; F30-S34 PolarHBondContact O-N 3.47Å; F30-S34 VanDerWaalsContact O-N 3.13Å; F30-S34 PolarHBondContact O-OG 3.24Å; S34-A37 WeakPolarHBondContact O-CB 3.38Å; S34-Y38 WeakPolarHBondContact O-CD2 3.1Å; S34-Y38 WeakPolarHBondContact O-CE2 2.87Å
35	C	39.8	Very low	42.1	Very low	81 Å²	81	79.8 Å²	79.8	55%	0.547	41%	0.407	S	S	.	.	H	α-helix	trans	-83.1	-37	173	-81.8	0	0	0	0	112.8	V31 A32 N33 A37 Y38	V31-C35 VanDerWaalsContact O-CB 3.29Å; V31-C35 WeakPolarHBondContact O-CB 3.47Å; V31-C35 PolarHBondContact O-N 3.21Å; V31-C35 PolarHBondContact O-SG 3.46Å; A32-C35 PolarHBondContact O-N 3.45Å; N33-C35 VanDerWaalsContact C-N 3.29Å; N33-C35 PolarHBondContact O-N 2.84Å; C35-A37 PolarHBondContact O-N 3.4Å; C35-Y38 PolarHBondContact O-N 3.43Å
36	E	44.4	Very low	42.2	Very low	79 Å²	79	79.2 Å²	79.2	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-70.6	-16.3	170.6	-74.9	-156.5	113.2	0	0	112.7	A32 N33 Y38 Y39 Y44 E87	A32-E36 PolarHBondContact O-N 3.21Å; N33-E36 PolarHBondContact O-N 3.21Å; E36-Y38 PolarHBondContact O-N 3.48Å; E36-Y39 PolarHBondContact O-N 3.48Å; E36-Y44 HydrophobicContact CB-CE1 4.19Å; E36-Y44 VanDerWaalsContact O-CE2 3.31Å; E36-Y44 WeakPolarHBondContact O-CE2 3.29Å; E36-E87 VanDerWaalsContact OE1-OE1 3.09Å
37	A	39	Very low	42.3	Very low	9 Å²	9	81.8 Å²	81.8	7%	0.074	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-10.6	171.2	0	0	0	0	0	117.6	N33 S34 C35 Y44	N33-A37 PolarHBondContact O-N 3.14Å; S34-A37 WeakPolarHBondContact O-CB 3.38Å; C35-A37 PolarHBondContact O-N 3.4Å; A37-Y44 VanDerWaalsContact CA-CG 3.5Å; A37-Y44 HydrophobicContact CB-CD1 4.33Å; A37-Y44 HydrophobicContact CB-CD2 3.72Å; A37-Y44 HydrophobicContact CB-CG 3.51Å
38	Y	35.4	Very low	42.2	Very low	191 Å²	191	86.2 Å²	86.2	75%	0.749	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	5	-177.9	-76.1	-85.6	0	0	0	113.8	S34 C35 E36	S34-Y38 WeakPolarHBondContact O-CD2 3.1Å; S34-Y38 WeakPolarHBondContact O-CE2 2.87Å; C35-Y38 PolarHBondContact O-N 3.43Å; E36-Y38 PolarHBondContact O-N 3.48Å
39	Y	41	Very low	42.4	Very low	215 Å²	215	87.7 Å²	87.7	84%	0.843	44%	0.439	S	S	*	.	S	Bend	trans	-111.6	1.3	174.8	-74.8	-80.1	0	0	0	115.7	E36	E36-Y39 PolarHBondContact O-N 3.48Å
40	L	33.4	Very low	42.7	Very low	109 Å²	109	86.8 Å²	86.8	57%	0.571	43%	0.434	S	S	*	.	S	Bend	trans	-98.9	132.6	144.9	-92.9	86	0	0	0	106.6	M42 Y44	L40-M42 VanDerWaalsContact C-N 3.33Å; L40-M42 PolarHBondContact O-N 3.02Å; L40-Y44 HydrophobicContact CD1-CE2 4.41Å
41	P	32.4	Very low	42.8	Very low	127 Å²	127	88.3 Å²	88.3	83%	0.825	44%	0.444	S	S	*	.	S	Bend	trans	-67.2	104	170.9	29.3	-28.6	0	0	0	105.8
42	M	31.7	Very low	43	Very low	158 Å²	158	89.7 Å²	89.7	78%	0.778	45%	0.45	S	S	*	.	S	Bend	trans	101	111.6	-176.3	-57.1	-144.5	174.9	0	0	116.2	L40	L40-M42 VanDerWaalsContact C-N 3.33Å; L40-M42 PolarHBondContact O-N 3.02Å
43	K	36	Very low	43.2	Very low	166 Å²	166	89.1 Å²	89.1	72%	0.722	44%	0.438	S	S	*	.			trans	53.1	79.6	142.5	-65.1	-178.9	174.4	-177.7	0	113.9	N45	K43-N45 VanDerWaalsContact C-N 3.26Å; K43-N45 PolarHBondContact O-N 3.27Å
44	Y	42.2	Very low	43.6	Very low	87 Å²	87	90.1 Å²	90.1	34%	0.341	44%	0.443	S	S	.	.			trans	-57	116.1	131.1	-70.3	-146.6	0	0	0	103.9	E36 A37 L40 L46	E36-Y44 HydrophobicContact CB-CE1 4.19Å; E36-Y44 VanDerWaalsContact O-CE2 3.31Å; E36-Y44 WeakPolarHBondContact O-CE2 3.29Å; A37-Y44 VanDerWaalsContact CA-CG 3.5Å; A37-Y44 HydrophobicContact CB-CD1 4.33Å; A37-Y44 HydrophobicContact CB-CD2 3.72Å; A37-Y44 HydrophobicContact CB-CG 3.51Å; L40-Y44 HydrophobicContact CD1-CE2 4.41Å; Y44-L46 HydrophobicContact CD1-CD1 3.44Å; Y44-L46 VanDerWaalsContact CD1-CD1 3.44Å; Y44-L46 HydrophobicContact CE1-CD1 4.41Å; Y44-L46 HydrophobicContact CG-CD1 4.08Å; Y44-L46 PolarHBondContact O-N 3.37Å
45	N	44.6	Very low	44	Very low	75 Å²	75	92.8 Å²	92.8	40%	0.401	46%	0.459	S	S	.	.			trans	-72.6	59.7	155	-92.6	0.8	0	0	0	106.8	K43 D47 H48 D49	K43-N45 VanDerWaalsContact C-N 3.26Å; K43-N45 PolarHBondContact O-N 3.27Å; N45-D47 PolarHBondContact O-N 3.38Å; N45-H48 HydrophobicContact CB-CB 4.05Å; N45-H48 VanDerWaalsContact CG-CD2 3.45Å; N45-H48 PolarHBondContact ND2-CD2 3.47Å; N45-H48 PolarHBondContact ND2-NE2 3.34Å; N45-H48 WeakPolarHBondContact O-CA 3.33Å; N45-H48 WeakPolarHBondContact O-CB 3.46Å; N45-H48 PolarHBondContact O-N 2.73Å; N45-D49 PolarHBondContact O-N 2.92Å
46	L	47	Very low	44.4	Very low	4 Å²	4	91.7 Å²	91.7	2%	0.021	45%	0.447	C	S	.	.	H	α-helix	trans	-50.4	-33.4	159.8	-142.1	84.9	0	0	0	112.5	F30 N33 Y44 H48 D49 L50	F30-L46 HydrophobicContact CD2-CD2 3.89Å; F30-L46 HydrophobicContact CE2-CD2 4.46Å; F30-L46 WeakPolarHBondContact O-CD2 3.5Å; N33-L46 HydrophobicContact CB-CD1 3.26Å; N33-L46 HydrophobicContact CB-CD2 3.37Å; N33-L46 HydrophobicContact CB-CG 3.37Å; N33-L46 WeakPolarHBondContact O-CD1 3.21Å; Y44-L46 HydrophobicContact CD1-CD1 3.44Å; Y44-L46 VanDerWaalsContact CD1-CD1 3.44Å; Y44-L46 HydrophobicContact CE1-CD1 4.41Å; Y44-L46 HydrophobicContact CG-CD1 4.08Å; Y44-L46 PolarHBondContact O-N 3.37Å; L46-H48 PolarHBondContact O-N 3.33Å; L46-D49 PolarHBondContact O-N 3.06Å; L46-L50 WeakPolarHBondContact O-CB 3.45Å; L46-L50 PolarHBondContact O-N 3.31Å
47	D	49.8	Very low	44.8	Very low	73 Å²	73	90.3 Å²	90.3	39%	0.39	44%	0.442	S	S	.	.	H	α-helix	trans	-46.8	-49.8	166.8	-61.5	-20.5	0	0	0	109.4	F30 N45 I51	F30-D47 WeakPolarHBondContact CE2-OD1 3.39Å; F30-D47 WeakPolarHBondContact CZ-OD1 3.44Å; N45-D47 PolarHBondContact O-N 3.38Å; D47-I51 HydrophobicContact CB-CD1 4.29Å; D47-I51 WeakPolarHBondContact O-CA 2.86Å; D47-I51 WeakPolarHBondContact O-CB 2.85Å; D47-I51 WeakPolarHBondContact O-CD1 3.38Å; D47-I51 WeakPolarHBondContact O-CG1 3.35Å; D47-I51 PolarHBondContact O-N 3.02Å
48	H	47.2	Very low	45.1	Very low	106 Å²	106	97.1 Å²	97.1	49%	0.491	48%	0.477	S	S	.	.	H	α-helix	trans	-70.6	-47.4	-178.3	-83.6	-91.7	0	0	0	114.6	N45 L46 L50 I51 D52	N45-H48 HydrophobicContact CB-CB 4.05Å; N45-H48 VanDerWaalsContact CG-CD2 3.45Å; N45-H48 PolarHBondContact ND2-CD2 3.47Å; N45-H48 PolarHBondContact ND2-NE2 3.34Å; N45-H48 WeakPolarHBondContact O-CA 3.33Å; N45-H48 WeakPolarHBondContact O-CB 3.46Å; N45-H48 PolarHBondContact O-N 2.73Å; L46-H48 PolarHBondContact O-N 3.33Å; H48-L50 VanDerWaalsContact C-N 3.34Å; H48-I51 PolarHBondContact O-N 2.92Å; H48-D52 WeakPolarHBondContact O-CB 2.99Å; H48-D52 PolarHBondContact O-N 3.05Å
49	D	48.7	Very low	45.8	Very low	98 Å²	98	93.1 Å²	93.1	52%	0.524	47%	0.465	S	S	.	.	H	α-helix	trans	-71.8	-32.1	-178.4	-75.1	-21	0	0	0	111.6	N45 L46 Y53	N45-D49 PolarHBondContact O-N 2.92Å; L46-D49 PolarHBondContact O-N 3.06Å; D49-Y53 WeakPolarHBondContact O-CB 3.49Å; D49-Y53 PolarHBondContact O-N 3.28Å
50	L	52.3	Low	46.1	Very low	7 Å²	7	90.7 Å²	90.7	4%	0.037	47%	0.466	C	S	.	.	H	α-helix	trans	-74.1	-36.7	170.2	-162.3	91.9	0	0	0	111.7	M29 F30 L46 H48 D52 Y53 L54	M29-L50 HydrophobicContact CB-CD1 3.83Å; F30-L50 HydrophobicContact CB-CD1 4.27Å; F30-L50 HydrophobicContact CB-CD2 3.45Å; F30-L50 VanDerWaalsContact CB-CD2 3.45Å; F30-L50 HydrophobicContact CB-CG 4.43Å; F30-L50 HydrophobicContact CD2-CB 3.9Å; F30-L50 HydrophobicContact CD2-CD2 3.06Å; F30-L50 HydrophobicContact CD2-CG 3.95Å; F30-L50 HydrophobicContact CE2-CB 4.46Å; F30-L50 HydrophobicContact CE2-CD2 3.9Å; F30-L50 HydrophobicContact CG-CD2 3.43Å; F30-L50 VanDerWaalsContact CG-CD2 3.43Å; L46-L50 WeakPolarHBondContact O-CB 3.45Å; L46-L50 PolarHBondContact O-N 3.31Å; H48-L50 VanDerWaalsContact C-N 3.34Å; L50-D52 VanDerWaalsContact C-N 3.33Å; L50-Y53 HydrophobicContact CD1-CD1 4.17Å; L50-Y53 CarbonylContact O-C 3.59Å; L50-Y53 PolarHBondContact O-N 3.42Å; L50-L54 HydrophobicContact CD2-CD1 3.5Å; L50-L54 HydrophobicContact CD2-CG 4.1Å; L50-L54 HydrophobicContact CG-CD1 3.98Å; L50-L54 HydrophobicContact CG-CG 4.16Å; L50-L54 VanDerWaalsContact O-CB 3.25Å; L50-L54 WeakPolarHBondContact O-CB 3.29Å; L50-L54 VanDerWaalsContact O-CG 3.23Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.25Å
51	I	52.5	Low	46.4	Very low	86 Å²	86	90.3 Å²	90.3	44%	0.441	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-45.4	172.7	-76.9	161.9	0	0	0	109.2	D47 H48 Y53 L54 T55	D47-I51 HydrophobicContact CB-CD1 4.29Å; D47-I51 WeakPolarHBondContact O-CA 2.86Å; D47-I51 WeakPolarHBondContact O-CB 2.85Å; D47-I51 WeakPolarHBondContact O-CD1 3.38Å; D47-I51 WeakPolarHBondContact O-CG1 3.35Å; D47-I51 PolarHBondContact O-N 3.02Å; H48-I51 PolarHBondContact O-N 2.92Å; I51-Y53 VanDerWaalsContact C-N 3.3Å; I51-Y53 PolarHBondContact O-N 3.04Å; I51-L54 PolarHBondContact O-N 3.12Å; I51-T55 WeakPolarHBondContact O-CA 3.42Å; I51-T55 WeakPolarHBondContact O-CB 3.32Å; I51-T55 PolarHBondContact O-N 3.33Å; I51-T55 PolarHBondContact O-OG1 3.47Å
52	D	51.3	Low	47	Very low	89 Å²	89	89.3 Å²	89.3	48%	0.476	44%	0.44	S	S	.	.	H	α-helix	trans	-62.8	-38	176	-81	-9.6	0	0	0	111.4	H48 L50 T55 N56	H48-D52 WeakPolarHBondContact O-CB 2.99Å; H48-D52 PolarHBondContact O-N 3.05Å; L50-D52 VanDerWaalsContact C-N 3.33Å; D52-T55 PolarHBondContact O-N 3.02Å; D52-N56 WeakPolarHBondContact O-CB 3.17Å; D52-N56 PolarHBondContact O-N 3Å; D52-N56 PolarHBondContact O-ND2 3.21Å
53	Y	50.8	Low	47.6	Very low	30 Å²	30	90.6 Å²	90.6	12%	0.118	44%	0.437	C	S	.	.	H	α-helix	trans	-66.9	-44.1	174.7	-178.7	-115.9	0	0	0	112.9	L26 M29 D49 L50 I51 T55 I57 Y62	L26-Y53 HydrophobicContact CD2-CD1 3.6Å; L26-Y53 HydrophobicContact CD2-CE1 3.36Å; L26-Y53 HydrophobicContact CG-CE1 4.47Å; M29-Y53 HydrophobicContact CE-CD1 4.47Å; M29-Y53 HydrophobicContact SD-CD1 4.44Å; M29-Y53 HydrophobicContact SD-CE1 3.97Å; D49-Y53 WeakPolarHBondContact O-CB 3.49Å; D49-Y53 PolarHBondContact O-N 3.28Å; L50-Y53 HydrophobicContact CD1-CD1 4.17Å; L50-Y53 CarbonylContact O-C 3.59Å; L50-Y53 PolarHBondContact O-N 3.42Å; I51-Y53 VanDerWaalsContact C-N 3.3Å; I51-Y53 PolarHBondContact O-N 3.04Å; Y53-T55 VanDerWaalsContact C-N 3.34Å; Y53-I57 WeakPolarHBondContact O-CB 3.38Å; Y53-I57 PolarHBondContact O-N 3.01Å; Y53-Y62 AromaticContact CD2-CD2 3.68Å; Y53-Y62 HydrophobicContact CD2-CD2 3.68Å; Y53-Y62 HydrophobicContact CD2-CE2 4.11Å; Y53-Y62 HydrophobicContact CD2-CG 4.3Å; Y53-Y62 HydrophobicContact CE2-CD2 4.25Å; Y53-Y62 HydrophobicContact CE2-CG 4.45Å
54	L	51.8	Low	48.2	Very low	71 Å²	71	84.2 Å²	84.2	37%	0.372	41%	0.413	S	S	.	.	H	α-helix	trans	-67.1	-35	174.8	-75.1	166.8	0	0	0	111.7	L26 L50 I51 I57	L26-L54 HydrophobicContact CB-CD2 4.18Å; L26-L54 HydrophobicContact CD1-CD2 3.84Å; L26-L54 HydrophobicContact CD2-CD2 3.42Å; L26-L54 VanDerWaalsContact CD2-CD2 3.42Å; L26-L54 HydrophobicContact CD2-CG 4.18Å; L26-L54 HydrophobicContact CG-CD2 4Å; L50-L54 HydrophobicContact CD2-CD1 3.5Å; L50-L54 HydrophobicContact CD2-CG 4.1Å; L50-L54 HydrophobicContact CG-CD1 3.98Å; L50-L54 HydrophobicContact CG-CG 4.16Å; L50-L54 VanDerWaalsContact O-CB 3.25Å; L50-L54 WeakPolarHBondContact O-CB 3.29Å; L50-L54 VanDerWaalsContact O-CG 3.23Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.25Å; I51-L54 PolarHBondContact O-N 3.12Å; L54-I57 WeakPolarHBondContact O-CG2 3.22Å
55	T	52.5	Low	48.6	Very low	88 Å²	88	91.9 Å²	91.9	54%	0.54	44%	0.441	S	S	.	.	H	α-helix	trans	-72.5	-37.3	179.8	-58.8	0	0	0	0	110.6	I51 D52 Y53	I51-T55 WeakPolarHBondContact O-CA 3.42Å; I51-T55 WeakPolarHBondContact O-CB 3.32Å; I51-T55 PolarHBondContact O-N 3.33Å; I51-T55 PolarHBondContact O-OG1 3.47Å; D52-T55 PolarHBondContact O-N 3.02Å; Y53-T55 VanDerWaalsContact C-N 3.34Å
56	N	48.7	Very low	48.9	Very low	57 Å²	57	94.9 Å²	94.9	31%	0.305	45%	0.453	S	S	.	.	H	α-helix	trans	-97.7	4.3	-178.9	-64.5	-57	0	0	0	114.2	D52 N58 E59 L60	D52-N56 WeakPolarHBondContact O-CB 3.17Å; D52-N56 PolarHBondContact O-N 3Å; D52-N56 PolarHBondContact O-ND2 3.21Å; N56-N58 PolarHBondContact O-N 2.82Å; N56-E59 PolarHBondContact O-N 2.76Å; N56-L60 PolarHBondContact O-N 3.37Å
57	I	52.2	Low	48.9	Very low	50 Å²	50	103.4 Å²	103.4	26%	0.256	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-60	-31.9	-180	-164.3	160.1	0	0	0	112.6	L26 Y53 L54 E59	L26-I57 HydrophobicContact CD1-CD1 3.58Å; L26-I57 HydrophobicContact CD2-CD1 3.4Å; L26-I57 VanDerWaalsContact CD2-CD1 3.4Å; L26-I57 HydrophobicContact CG-CD1 3.77Å; Y53-I57 WeakPolarHBondContact O-CB 3.38Å; Y53-I57 PolarHBondContact O-N 3.01Å; L54-I57 WeakPolarHBondContact O-CG2 3.22Å; I57-E59 VanDerWaalsContact C-N 3.3Å
58	N	44.9	Very low	48.9	Very low	152 Å²	152	106.3 Å²	106.3	81%	0.813	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-75.9	-21	176.7	-68	-29.5	0	0	0	112.5	N56	N56-N58 PolarHBondContact O-N 2.82Å
59	E	50.4	Low	49.2	Very low	107 Å²	107	105.1 Å²	105.1	50%	0.5	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-92.8	-8	178.5	-64.9	-155	-176.4	0	0	113.1	N56 I57 K61	N56-E59 PolarHBondContact O-N 2.76Å; I57-E59 VanDerWaalsContact C-N 3.3Å; E59-K61 HydrophobicContact CB-CB 4.19Å; E59-K61 HydrophobicContact CB-CD 4.29Å; E59-K61 HydrophobicContact CB-CG 4.26Å; E59-K61 WeakPolarHBondContact O-CG 3.45Å; E59-K61 PolarHBondContact O-N 3Å; E59-K61 IonicContact OE2-NZ 2.78Å; E59-K61 PolarHBondContact OE2-NZ 3.4Å
60	L	47.4	Very low	49.8	Very low	165 Å²	165	102.7 Å²	102.7	86%	0.864	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	15.2	-171.5	-74	162.8	0	0	0	113.6	N56 Y62	N56-L60 PolarHBondContact O-N 3.37Å; L60-Y62 PolarHBondContact O-N 3.42Å
61	K	41	Very low	50.1	Low	100 Å²	100	112 Å²	112	44%	0.435	53%	0.527	S	S	.	.			trans	-96	72.9	-179.7	-73.8	178.1	-156.6	154.4	0	108.7	E59 Y63	E59-K61 HydrophobicContact CB-CB 4.19Å; E59-K61 HydrophobicContact CB-CD 4.29Å; E59-K61 HydrophobicContact CB-CG 4.26Å; E59-K61 WeakPolarHBondContact O-CG 3.45Å; E59-K61 PolarHBondContact O-N 3Å; E59-K61 IonicContact OE2-NZ 2.78Å; E59-K61 PolarHBondContact OE2-NZ 3.4Å; K61-Y63 HydrophobicContact CB-CD2 4.32Å; K61-Y63 HydrophobicContact CB-CE2 3.73Å; K61-Y63 HydrophobicContact CD-CE2 4.2Å; K61-Y63 HydrophobicContact CG-CE2 4.19Å
62	Y	43.6	Very low	50.6	Low	106 Å²	106	110.3 Å²	110.3	42%	0.416	52%	0.523	S	S	.	.			trans	-85.3	113.6	161.6	-175.3	-116.2	0	0	0	107.8	Y53 L60 P64	Y53-Y62 AromaticContact CD2-CD2 3.68Å; Y53-Y62 HydrophobicContact CD2-CD2 3.68Å; Y53-Y62 HydrophobicContact CD2-CE2 4.11Å; Y53-Y62 HydrophobicContact CD2-CG 4.3Å; Y53-Y62 HydrophobicContact CE2-CD2 4.25Å; Y53-Y62 HydrophobicContact CE2-CG 4.45Å; L60-Y62 PolarHBondContact O-N 3.42Å; Y62-P64 VanDerWaalsContact C-CD 3.43Å; Y62-P64 HydrophobicContact CD1-CB 4.19Å; Y62-P64 VanDerWaalsContact CD1-CD 3.48Å; Y62-P64 HydrophobicContact CD1-CG 3.87Å; Y62-P64 HydrophobicContact CE1-CB 3.55Å; Y62-P64 HydrophobicContact CE1-CG 3.71Å; Y62-P64 WeakPolarHBondContact O-CD 3.38Å
63	Y	45.3	Very low	50.8	Low	185 Å²	185	110.8 Å²	110.8	73%	0.725	52%	0.518	S	S	*	.			trans	-101.5	85.6	170.6	-64	-78.1	0	0	0	108	K61 R65	K61-Y63 HydrophobicContact CB-CD2 4.32Å; K61-Y63 HydrophobicContact CB-CE2 3.73Å; K61-Y63 HydrophobicContact CD-CE2 4.2Å; K61-Y63 HydrophobicContact CG-CE2 4.19Å; Y63-R65 PolarHBondContact O-N 3Å
64	P	48.5	Very low	51.5	Low	33 Å²	33	115 Å²	115	21%	0.214	54%	0.538	C	S	.	.			trans	-57.5	139.5	170.1	16.8	-19.5	0	0	0	108.1	Y62 Q66 R68 F70	Y62-P64 VanDerWaalsContact C-CD 3.43Å; Y62-P64 HydrophobicContact CD1-CB 4.19Å; Y62-P64 VanDerWaalsContact CD1-CD 3.48Å; Y62-P64 HydrophobicContact CD1-CG 3.87Å; Y62-P64 HydrophobicContact CE1-CB 3.55Å; Y62-P64 HydrophobicContact CE1-CG 3.71Å; Y62-P64 WeakPolarHBondContact O-CD 3.38Å; P64-Q66 WeakPolarHBondContact CG-O 3.31Å; P64-Q66 CarbonylContact O-C 3.48Å; P64-Q66 PolarHBondContact O-N 3.13Å; P64-Q66 VanDerWaalsContact O-O 3.06Å; P64-R68 VanDerWaalsContact CG-O 3.29Å; P64-R68 WeakPolarHBondContact CG-O 3.42Å; P64-F70 HydrophobicContact CG-CE2 4.36Å
65	R	50.2	Low	51.9	Low	247 Å²	247	114.6 Å²	114.6	93%	0.932	54%	0.535	S	S	*	.	S	Bend	trans	-58.6	-5.6	174.8	-73.3	-176.9	175.3	176.5	1.9	113.2	Y63	Y63-R65 PolarHBondContact O-N 3Å
66	Q	49.9	Very low	52.4	Low	139 Å²	139	111.4 Å²	111.4	65%	0.65	51%	0.514	S	S	*	.	S	Bend	trans	-111.8	131.5	168.5	-66.2	179	-2	0	0	109.1	P64 R68	P64-Q66 WeakPolarHBondContact CG-O 3.31Å; P64-Q66 CarbonylContact O-C 3.48Å; P64-Q66 PolarHBondContact O-N 3.13Å; P64-Q66 VanDerWaalsContact O-O 3.06Å; Q66-R68 PolarHBondContact O-N 2.58Å
67	I	47.1	Very low	53	Low	183 Å²	183	111 Å²	111	94%	0.938	51%	0.513	S	S	*	.	S	Bend	trans	-66.2	71.3	-174.2	-52.1	164.3	0	0	0	110.1
68	R	50.2	Low	53.7	Low	134 Å²	134	115.1 Å²	115.1	51%	0.506	53%	0.531	S	S	.	.			trans	-133.7	105.3	170.7	-162.7	172.2	-175.3	172	1.3	108.1	P64 Q66	P64-R68 VanDerWaalsContact CG-O 3.29Å; P64-R68 WeakPolarHBondContact CG-O 3.42Å; Q66-R68 PolarHBondContact O-N 2.58Å
69	S	53.7	Low	54.7	Low	80 Å²	80	111 Å²	111	56%	0.559	51%	0.505	S	S	*	.			trans	-77.7	135.1	169.9	-56.1	0	0	0	0	108.5
70	F	60.7	Low	55.4	Low	48 Å²	48	108 Å²	108	21%	0.211	49%	0.492	C	S	.	.			trans	-100.4	130.7	170	-59.2	-80.7	0	0	0	108	P64 E75 L76 Y79	P64-F70 HydrophobicContact CG-CE2 4.36Å; F70-E75 WeakPolarHBondContact CA-OE2 3.44Å; F70-E75 HydrophobicContact CD1-CB 4.32Å; F70-E75 HydrophobicContact CD1-CG 3.98Å; F70-L76 HydrophobicContact CB-CB 4.4Å; F70-L76 HydrophobicContact CD1-CB 4.29Å; F70-L76 HydrophobicContact CD1-CD1 4.46Å; F70-L76 HydrophobicContact CD2-CD1 3.85Å; F70-L76 HydrophobicContact CE1-CD1 4.35Å; F70-L76 HydrophobicContact CE2-CD1 3.71Å; F70-L76 HydrophobicContact CG-CB 4.17Å; F70-L76 HydrophobicContact CG-CD1 4.22Å; F70-L76 HydrophobicContact CZ-CD1 3.98Å; F70-Y79 AromaticContact CE1-CD1 3.98Å; F70-Y79 HydrophobicContact CE1-CD1 3.98Å; F70-Y79 HydrophobicContact CE1-CD2 4.29Å; F70-Y79 AromaticContact CE1-CG 3.7Å; F70-Y79 HydrophobicContact CE1-CG 3.7Å; F70-Y79 AromaticContact CZ-CD1 3.58Å; F70-Y79 HydrophobicContact CZ-CD1 3.58Å; F70-Y79 HydrophobicContact CZ-CD2 4.42Å; F70-Y79 HydrophobicContact CZ-CE1 4.06Å; F70-Y79 AromaticContact CZ-CG 3.79Å; F70-Y79 HydrophobicContact CZ-CG 3.79Å
71	Y	59.6	Low	56.4	Low	203 Å²	203	104 Å²	104	80%	0.796	47%	0.471	S	S	*	.	S	Bend	trans	-93.3	-12.2	-178	-62.6	-82.4	0	0	0	112.6	E75	Y71-E75 PolarHBondContact N-OE2 3.43Å
72	S	61.7	Low	57.7	Low	50 Å²	50	103.9 Å²	103.9	35%	0.35	47%	0.472	S	S	.	.	S	Bend	trans	-147.8	162.3	174.8	95.7	0	0	0	0	112.4	E74 E75 L76	S72-E74 VanDerWaalsContact C-N 3.27Å; S72-E74 WeakPolarHBondContact CB-OE2 3.5Å; S72-E74 PolarHBondContact O-N 3.2Å; S72-E74 PolarHBondContact OG-N 2.9Å; S72-E74 PolarHBondContact OG-OE2 3.47Å; S72-E75 PolarHBondContact O-N 3.32Å; S72-E75 PolarHBondContact OG-N 3.49Å; S72-L76 PolarHBondContact O-N 3.32Å
73	R	55.6	Low	58.7	Low	98 Å²	98	102.6 Å²	102.6	37%	0.37	47%	0.471	S	S	.	.	H	α-helix	trans	-63.6	-37.8	175.3	-177.5	179	-178.6	-166.4	-4.9	111.4	S21 E75 L76 V77	S21-R73 PolarHBondContact O-NH1 3.24Å; S21-R73 PolarHBondContact O-NH2 3.44Å; R73-E75 VanDerWaalsContact C-N 3.32Å; R73-L76 PolarHBondContact O-N 2.89Å; R73-V77 HydrophobicContact CG-CG2 4.44Å; R73-V77 VanDerWaalsContact O-CG2 3.32Å; R73-V77 WeakPolarHBondContact O-CG2 3.44Å; R73-V77 PolarHBondContact O-N 2.86Å
74	E	65.7	Low	59.6	Low	119 Å²	119	97.3 Å²	97.3	56%	0.556	46%	0.455	S	S	*	.	H	α-helix	trans	-62.9	-40.9	178.5	-58.6	70.9	-152.2	0	0	110.5	S72 L76 V77 H78	S72-E74 VanDerWaalsContact C-N 3.27Å; S72-E74 WeakPolarHBondContact CB-OE2 3.5Å; S72-E74 PolarHBondContact O-N 3.2Å; S72-E74 PolarHBondContact OG-N 2.9Å; S72-E74 PolarHBondContact OG-OE2 3.47Å; E74-L76 PolarHBondContact O-N 2.92Å; E74-V77 PolarHBondContact O-N 3.33Å; E74-H78 WeakPolarHBondContact O-CB 3.42Å; E74-H78 PolarHBondContact O-CD2 3.35Å; E74-H78 PolarHBondContact O-N 2.71Å
75	E	60.7	Low	60.4	Low	62 Å²	62	101.8 Å²	101.8	29%	0.29	47%	0.473	S	S	.	.	H	α-helix	trans	-60.9	-43.7	176.6	-163.2	-172.8	175.1	0	0	111.7	F70 Y71 S72 R73 Y79	F70-E75 WeakPolarHBondContact CA-OE2 3.44Å; F70-E75 HydrophobicContact CD1-CB 4.32Å; F70-E75 HydrophobicContact CD1-CG 3.98Å; Y71-E75 PolarHBondContact N-OE2 3.43Å; S72-E75 PolarHBondContact O-N 3.32Å; S72-E75 PolarHBondContact OG-N 3.49Å; R73-E75 VanDerWaalsContact C-N 3.32Å; E75-Y79 WeakPolarHBondContact O-CB 3.31Å; E75-Y79 PolarHBondContact O-N 3.01Å
76	L	62.5	Low	61.1	Low	22 Å²	22	95.1 Å²	95.1	12%	0.115	45%	0.452	C	S	.	.	H	α-helix	trans	-64.6	-45.5	175.9	178.4	64.7	0	0	0	111.9	F70 S72 R73 E74 H78 Y79 L80	F70-L76 HydrophobicContact CB-CB 4.4Å; F70-L76 HydrophobicContact CD1-CB 4.29Å; F70-L76 HydrophobicContact CD1-CD1 4.46Å; F70-L76 HydrophobicContact CD2-CD1 3.85Å; F70-L76 HydrophobicContact CE1-CD1 4.35Å; F70-L76 HydrophobicContact CE2-CD1 3.71Å; F70-L76 HydrophobicContact CG-CB 4.17Å; F70-L76 HydrophobicContact CG-CD1 4.22Å; F70-L76 HydrophobicContact CZ-CD1 3.98Å; S72-L76 PolarHBondContact O-N 3.32Å; R73-L76 PolarHBondContact O-N 2.89Å; E74-L76 PolarHBondContact O-N 2.92Å; L76-H78 VanDerWaalsContact C-N 3.34Å; L76-H78 PolarHBondContact O-N 3.06Å; L76-Y79 PolarHBondContact O-N 3.49Å; L76-L80 HydrophobicContact CD1-CD1 4.24Å; L76-L80 HydrophobicContact CD1-CG 4.27Å; L76-L80 HydrophobicContact CG-CD1 4.08Å; L76-L80 HydrophobicContact CG-CG 4.5Å; L76-L80 WeakPolarHBondContact O-CG 3.22Å; L76-L80 PolarHBondContact O-N 3.25Å
77	V	62	Low	61.5	Low	47 Å²	47	91.3 Å²	91.3	29%	0.285	44%	0.435	S	S	.	.	H	α-helix	trans	-62.8	-42.2	178.9	170.2	0	0	0	0	111	R73 E74 Y79 L80 N81	R73-V77 HydrophobicContact CG-CG2 4.44Å; R73-V77 VanDerWaalsContact O-CG2 3.32Å; R73-V77 WeakPolarHBondContact O-CG2 3.44Å; R73-V77 PolarHBondContact O-N 2.86Å; E74-V77 PolarHBondContact O-N 3.33Å; V77-Y79 VanDerWaalsContact C-N 3.35Å; V77-L80 PolarHBondContact O-N 2.96Å; V77-N81 WeakPolarHBondContact O-CB 3.47Å; V77-N81 VanDerWaalsContact O-CG 3.3Å; V77-N81 PolarHBondContact O-N 2.95Å; V77-N81 PolarHBondContact O-ND2 3.01Å
78	H	66.7	Low	62.1	Low	137 Å²	137	88.3 Å²	88.3	63%	0.634	42%	0.417	S	S	*	.	H	α-helix	trans	-62.4	-42.4	174.8	-84.5	-64.3	0	0	0	112.1	E74 L76 N81 H82	E74-H78 WeakPolarHBondContact O-CB 3.42Å; E74-H78 PolarHBondContact O-CD2 3.35Å; E74-H78 PolarHBondContact O-N 2.71Å; L76-H78 VanDerWaalsContact C-N 3.34Å; L76-H78 PolarHBondContact O-N 3.06Å; H78-N81 PolarHBondContact O-N 3.36Å; H78-H82 WeakPolarHBondContact O-CB 3.21Å; H78-H82 PolarHBondContact O-N 3.07Å
79	Y	65.3	Low	62.6	Low	67 Å²	67	84.4 Å²	84.4	26%	0.263	41%	0.413	S	S	.	.	H	α-helix	trans	-62.1	-48.2	176.4	178.9	-100.7	0	0	0	112.1	F70 E75 L76 V77 N81 H82 M83	F70-Y79 AromaticContact CE1-CD1 3.98Å; F70-Y79 HydrophobicContact CE1-CD1 3.98Å; F70-Y79 HydrophobicContact CE1-CD2 4.29Å; F70-Y79 AromaticContact CE1-CG 3.7Å; F70-Y79 HydrophobicContact CE1-CG 3.7Å; F70-Y79 AromaticContact CZ-CD1 3.58Å; F70-Y79 HydrophobicContact CZ-CD1 3.58Å; F70-Y79 HydrophobicContact CZ-CD2 4.42Å; F70-Y79 HydrophobicContact CZ-CE1 4.06Å; F70-Y79 AromaticContact CZ-CG 3.79Å; F70-Y79 HydrophobicContact CZ-CG 3.79Å; E75-Y79 WeakPolarHBondContact O-CB 3.31Å; E75-Y79 PolarHBondContact O-N 3.01Å; L76-Y79 PolarHBondContact O-N 3.49Å; V77-Y79 VanDerWaalsContact C-N 3.35Å; Y79-N81 PolarHBondContact O-N 3.31Å; Y79-H82 WeakPolarHBondContact O-CB 3.07Å; Y79-H82 PolarHBondContact O-N 3.34Å; Y79-M83 HydrophobicContact CD1-CG 4.36Å; Y79-M83 HydrophobicContact CE1-CG 3.96Å; Y79-M83 HydrophobicContact CE2-CG 4.36Å; Y79-M83 HydrophobicContact CE2-SD 4.31Å; Y79-M83 WeakPolarHBondContact O-CG 3.13Å; Y79-M83 PolarHBondContact O-N 3.5Å
80	L	65.5	Low	62.8	Low	42 Å²	42	83.9 Å²	83.9	22%	0.22	41%	0.409	C	S	.	.	H	α-helix	trans	-62.2	-41.7	178.2	-69.5	172.3	0	0	0	112.1	M29 L76 V77 H82 M83 L84	M29-L80 HydrophobicContact CG-CD1 4.07Å; M29-L80 HydrophobicContact SD-CD1 3.81Å; M29-L80 HydrophobicContact SD-CD2 4.45Å; L76-L80 HydrophobicContact CD1-CD1 4.24Å; L76-L80 HydrophobicContact CD1-CG 4.27Å; L76-L80 HydrophobicContact CG-CD1 4.08Å; L76-L80 HydrophobicContact CG-CG 4.5Å; L76-L80 WeakPolarHBondContact O-CG 3.22Å; L76-L80 PolarHBondContact O-N 3.25Å; V77-L80 PolarHBondContact O-N 2.96Å; L80-H82 VanDerWaalsContact C-N 3.33Å; L80-H82 PolarHBondContact O-N 3.22Å; L80-M83 PolarHBondContact O-N 3.35Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.49Å
81	N	68	Low	62.5	Low	81 Å²	81	86.8 Å²	86.8	43%	0.433	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-38.8	176.3	-76.9	-29.9	0	0	0	112.3	V77 H78 Y79 Q85	V77-N81 WeakPolarHBondContact O-CB 3.47Å; V77-N81 VanDerWaalsContact O-CG 3.3Å; V77-N81 PolarHBondContact O-N 2.95Å; V77-N81 PolarHBondContact O-ND2 3.01Å; H78-N81 PolarHBondContact O-N 3.36Å; Y79-N81 PolarHBondContact O-N 3.31Å; N81-Q85 WeakPolarHBondContact O-CG 3.37Å; N81-Q85 PolarHBondContact O-N 3.41Å; N81-Q85 VanDerWaalsContact O-N 3.12Å
82	H	68.6	Low	62.5	Low	98 Å²	98	83.9 Å²	83.9	45%	0.454	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-45.7	175.4	-175.6	-85.4	0	0	0	111.4	H78 Y79 L80 L84 Q85 E86	H78-H82 WeakPolarHBondContact O-CB 3.21Å; H78-H82 PolarHBondContact O-N 3.07Å; Y79-H82 WeakPolarHBondContact O-CB 3.07Å; Y79-H82 PolarHBondContact O-N 3.34Å; L80-H82 VanDerWaalsContact C-N 3.33Å; L80-H82 PolarHBondContact O-N 3.22Å; H82-L84 PolarHBondContact O-N 3.38Å; H82-Q85 PolarHBondContact O-N 3.08Å; H82-E86 IonicContact CE1-OE1 3.13Å; H82-E86 PolarHBondContact CE1-OE1 3.32Å; H82-E86 IonicContact CE1-OE2 3.79Å; H82-E86 IonicContact ND1-OE1 3.82Å; H82-E86 IonicContact ND1-OE2 3.7Å; H82-E86 PolarHBondContact O-N 3.34Å
83	M	65	Low	62.2	Low	79 Å²	79	89.6 Å²	89.6	39%	0.389	44%	0.442	S	S	.	.	H	α-helix	trans	-60.2	-44.6	177.6	-68	-59.1	-52.5	0	0	112.1	Y79 L80 Q85 E86 E87	Y79-M83 HydrophobicContact CD1-CG 4.36Å; Y79-M83 HydrophobicContact CE1-CG 3.96Å; Y79-M83 HydrophobicContact CE2-CG 4.36Å; Y79-M83 HydrophobicContact CE2-SD 4.31Å; Y79-M83 WeakPolarHBondContact O-CG 3.13Å; Y79-M83 PolarHBondContact O-N 3.5Å; L80-M83 PolarHBondContact O-N 3.35Å; M83-Q85 VanDerWaalsContact C-N 3.33Å; M83-Q85 PolarHBondContact O-N 3.31Å; M83-E86 PolarHBondContact O-N 3.21Å; M83-E87 PolarHBondContact O-N 3.06Å
84	L	63.6	Low	61.9	Low	74 Å²	74	91.5 Å²	91.5	39%	0.387	46%	0.459	S	S	.	.	H	α-helix	trans	-60.3	-41.2	176.7	-74.8	167.7	0	0	0	112.1	L80 H82 E87 E88	L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.49Å; H82-L84 PolarHBondContact O-N 3.38Å; L84-E87 PolarHBondContact O-N 3Å; L84-E88 WeakPolarHBondContact O-CG 3.37Å; L84-E88 PolarHBondContact O-N 3.29Å
85	Q	66.3	Low	61.2	Low	128 Å²	128	91.4 Å²	91.4	60%	0.598	47%	0.468	S	S	*	.	H	α-helix	trans	-67.1	-38.4	177.7	-74.3	178.7	-7.8	0	0	112.8	N81 H82 M83 E87 A89	N81-Q85 WeakPolarHBondContact O-CG 3.37Å; N81-Q85 PolarHBondContact O-N 3.41Å; N81-Q85 VanDerWaalsContact O-N 3.12Å; H82-Q85 PolarHBondContact O-N 3.08Å; M83-Q85 VanDerWaalsContact C-N 3.33Å; M83-Q85 PolarHBondContact O-N 3.31Å; Q85-E87 VanDerWaalsContact C-N 3.32Å; Q85-A89 VanDerWaalsContact O-CB 3.22Å; Q85-A89 WeakPolarHBondContact O-CB 3.23Å; Q85-A89 PolarHBondContact O-N 2.82Å
86	E	64.9	Low	60.7	Low	106 Å²	106	96.7 Å²	96.7	50%	0.495	50%	0.497	S	S	.	.	H	α-helix	trans	-63.6	-39.6	174.7	-72.6	-172.7	144.3	0	0	111.5	H82 M83 A89 S90	H82-E86 IonicContact CE1-OE1 3.13Å; H82-E86 PolarHBondContact CE1-OE1 3.32Å; H82-E86 IonicContact CE1-OE2 3.79Å; H82-E86 IonicContact ND1-OE1 3.82Å; H82-E86 IonicContact ND1-OE2 3.7Å; H82-E86 PolarHBondContact O-N 3.34Å; M83-E86 PolarHBondContact O-N 3.21Å; E86-A89 PolarHBondContact O-N 3.43Å; E86-S90 WeakPolarHBondContact O-CB 3.19Å; E86-S90 PolarHBondContact O-N 3.26Å
87	E	58.4	Low	59.6	Low	60 Å²	60	100.6 Å²	100.6	28%	0.28	53%	0.526	S	S	.	.	H	α-helix	trans	-66.5	-49	177.2	-159.5	-169.3	135.3	0	0	111.7	E36 M83 L84 Q85 A89 S90 M91	E36-E87 VanDerWaalsContact OE1-OE1 3.09Å; M83-E87 PolarHBondContact O-N 3.06Å; L84-E87 PolarHBondContact O-N 3Å; Q85-E87 VanDerWaalsContact C-N 3.32Å; E87-A89 VanDerWaalsContact C-N 3.31Å; E87-A89 PolarHBondContact O-N 3.36Å; E87-S90 WeakPolarHBondContact O-CB 3.49Å; E87-S90 PolarHBondContact O-N 3.43Å; E87-S90 PolarHBondContact O-OG 3.46Å; E87-M91 HydrophobicContact CG-CE 4.42Å; E87-M91 PolarHBondContact O-N 3.09Å
88	E	58.8	Low	58.8	Low	119 Å²	119	103.9 Å²	103.9	56%	0.556	55%	0.548	S	S	*	.	H	α-helix	trans	-58.3	-41	174.8	-76	-177.2	170.2	0	0	112.2	L84 S90 N92	L84-E88 WeakPolarHBondContact O-CG 3.37Å; L84-E88 PolarHBondContact O-N 3.29Å; E88-S90 VanDerWaalsContact C-N 3.29Å; E88-S90 PolarHBondContact O-N 3.4Å; E88-N92 PolarHBondContact O-N 3.24Å; E88-N92 PolarHBondContact O-ND2 3.24Å; E88-N92 VanDerWaalsContact O-ND2 3.09Å
89	A	61.5	Low	57.8	Low	52 Å²	52	104 Å²	104	43%	0.43	55%	0.553	S	S	.	*	H	α-helix	trans	-69	-28.1	177.4	0	0	0	0	0	112.7	Q85 E86 E87	Q85-A89 VanDerWaalsContact O-CB 3.22Å; Q85-A89 WeakPolarHBondContact O-CB 3.23Å; Q85-A89 PolarHBondContact O-N 2.82Å; E86-A89 PolarHBondContact O-N 3.43Å; E87-A89 VanDerWaalsContact C-N 3.31Å; E87-A89 PolarHBondContact O-N 3.36Å
90	S	57.7	Low	56.5	Low	69 Å²	69	112.7 Å²	112.7	48%	0.483	59%	0.585	S	S	.	*	H	α-helix	trans	-75.4	-41.7	176	82.4	0	0	0	0	112.1	E86 E87 E88 N92 K93	E86-S90 WeakPolarHBondContact O-CB 3.19Å; E86-S90 PolarHBondContact O-N 3.26Å; E87-S90 WeakPolarHBondContact O-CB 3.49Å; E87-S90 PolarHBondContact O-N 3.43Å; E87-S90 PolarHBondContact O-OG 3.46Å; E88-S90 VanDerWaalsContact C-N 3.29Å; E88-S90 PolarHBondContact O-N 3.4Å; S90-N92 VanDerWaalsContact C-N 3.35Å; S90-N92 PolarHBondContact O-N 2.83Å; S90-K93 PolarHBondContact O-N 2.9Å
91	M	54.3	Low	56.1	Low	109 Å²	109	119 Å²	119	54%	0.537	61%	0.611	S	S	.	*	H	α-helix	trans	-66.3	-35.2	-179.4	-72.3	-163.1	-81.8	0	0	112.5	E87 K93	E87-M91 HydrophobicContact CG-CE 4.42Å; E87-M91 PolarHBondContact O-N 3.09Å; M91-K93 PolarHBondContact O-N 3.46Å
92	N	58.7	Low	54.9	Low	143 Å²	143	122.4 Å²	122.4	77%	0.765	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-1.6	-178.9	-75.9	-41.6	0	0	0	115.1	E88 S90	E88-N92 PolarHBondContact O-N 3.24Å; E88-N92 PolarHBondContact O-ND2 3.24Å; E88-N92 VanDerWaalsContact O-ND2 3.09Å; S90-N92 VanDerWaalsContact C-N 3.35Å; S90-N92 PolarHBondContact O-N 2.83Å
93	K	56.2	Low	54.2	Low	170 Å²	170	123.6 Å²	123.6	74%	0.739	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	1.6	-179.1	-74.6	-178.5	-177.2	174.5	0	115	S90 M91 P95	S90-K93 PolarHBondContact O-N 2.9Å; M91-K93 PolarHBondContact O-N 3.46Å; K93-P95 WeakPolarHBondContact O-CD 3.18Å
94	L	50.4	Low	53.7	Low	138 Å²	138	125.9 Å²	125.9	72%	0.723	69%	0.69	S	S	*	*			trans	-85.8	112.3	-176.5	-78.1	159.7	0	0	0	112	I96	L94-I96 PolarHBondContact O-N 3.31Å
95	P	50.6	Low	53.1	Low	117 Å²	117	128.8 Å²	128.8	76%	0.76	71%	0.707	S	S	*	*			trans	-70.4	118.5	171.3	28.1	-31.9	0	0	0	109.9	K93 S97	K93-P95 WeakPolarHBondContact O-CD 3.18Å; P95-S97 PolarHBondContact O-N 3.03Å
96	I	49.7	Very low	52.3	Low	173 Å²	173	128.9 Å²	128.9	89%	0.887	71%	0.714	S	S	*	*			trans	-73	94.1	172.6	-51	170.3	0	0	0	107.7	L94	L94-I96 PolarHBondContact O-N 3.31Å
97	S	39	Very low	51.5	Low	103 Å²	103	130.3 Å²	130.3	72%	0.72	73%	0.727	S	S	*	*			trans	-105	128.6	167.4	-158.6	0	0	0	0	109.5	P95 L99	P95-S97 PolarHBondContact O-N 3.03Å; S97-L99 PolarHBondContact O-N 3.42Å
98	P	45.8	Very low	51.1	Low	117 Å²	117	135 Å²	135	76%	0.76	76%	0.757	S	S	*	*			trans	-74.8	124.4	-170	28.4	-31.3	0	0	0	111.3	R100	P98-R100 PolarHBondContact O-N 3.46Å; P98-R100 VanDerWaalsContact O-N 3.07Å
99	L	45.3	Very low	50.5	Low	140 Å²	140	136.1 Å²	136.1	73%	0.733	77%	0.771	S	S	*	*			trans	-56.5	107.3	172.5	-80.2	153.2	0	0	0	110.9	S97 F101	S97-L99 PolarHBondContact O-N 3.42Å; L99-F101 HydrophobicContact CB-CD2 4.03Å; L99-F101 HydrophobicContact CB-CE2 3.7Å; L99-F101 HydrophobicContact CB-CZ 4.46Å; L99-F101 HydrophobicContact CD1-CE2 3.95Å; L99-F101 HydrophobicContact CD1-CZ 4.22Å; L99-F101 HydrophobicContact CD2-CE2 4Å; L99-F101 HydrophobicContact CD2-CZ 3.9Å; L99-F101 HydrophobicContact CG-CE2 4.09Å; L99-F101 HydrophobicContact CG-CZ 4.43Å; L99-F101 PolarHBondContact O-N 3.07Å
100	R	39.4	Very low	49.7	Very low	248 Å²	248	142.6 Å²	142.6	94%	0.936	80%	0.798	S	S	*	*			trans	-77.5	103.3	154.6	-110	-175.1	173.3	-167.1	-1.5	107	P98	P98-R100 PolarHBondContact O-N 3.46Å; P98-R100 VanDerWaalsContact O-N 3.07Å
101	F	55.3	Low	49	Very low	176 Å²	176	148.8 Å²	148.8	77%	0.772	82%	0.824	S	S	*	*			trans	-82.1	125	157.9	-70.7	-82.6	0	0	0	107.4	L99	L99-F101 HydrophobicContact CB-CD2 4.03Å; L99-F101 HydrophobicContact CB-CE2 3.7Å; L99-F101 HydrophobicContact CB-CZ 4.46Å; L99-F101 HydrophobicContact CD1-CE2 3.95Å; L99-F101 HydrophobicContact CD1-CZ 4.22Å; L99-F101 HydrophobicContact CD2-CE2 4Å; L99-F101 HydrophobicContact CD2-CZ 3.9Å; L99-F101 HydrophobicContact CG-CE2 4.09Å; L99-F101 HydrophobicContact CG-CZ 4.43Å; L99-F101 PolarHBondContact O-N 3.07Å
102	G	43.7	Very low	48.5	Very low	151 Å²	151	152.4 Å²	152.4	100%	1.557	85%	0.85	S	S	*	*			trans	-78.3	0	170.8	0	0	0	0	0	112.7

Retrieved 102 of 102 residues in 46.3 ms (Link to these results)

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