G4LVD8_SCHMA Loading...

Smp_201870

AlphaFold DB , UniProt , Accession G4LVD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 68 aa.

						>G4LVD8_SCHMA|G4LVD8
MFNLKCHNSIINDHYCIHELTTNNIKLIVMHNYMGLPHSPTHSLTYLPIYTEYIFPKSILLNKIHDRI
					

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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	42.5	Very low	48.2	Very low	189 Å²	189	102.5 Å²	102.5	93%	0.931	51%	0.51	S	S	*	.				0	119.6	0	-154.6	162.6	90.4	0	0	107.5	N3 T45	M1-N3 PolarHBondContact O-N 2.76Å; M1-T45 HydrophobicContact CG-CG2 4.08Å; M1-T45 HydrophobicContact SD-CG2 3.99Å
2	F	44.2	Very low	48.5	Very low	150 Å²	150	105.2 Å²	105.2	66%	0.658	53%	0.527	S	S	*	.			trans	-82.7	110.2	-177.7	-64.4	-81.4	0	0	0	109.4	L4 L20	F2-L4 HydrophobicContact CB-CD1 4.17Å; F2-L4 HydrophobicContact CB-CG 4.25Å; F2-L4 PolarHBondContact O-N 2.95Å; F2-L4 VanDerWaalsContact O-N 3.07Å; F2-L20 HydrophobicContact CD1-CD2 4.44Å
3	N	43.6	Very low	49.3	Very low	133 Å²	133	105.4 Å²	105.4	71%	0.711	53%	0.531	S	S	*	.			trans	-74.5	96.2	170.9	-89.1	-26.4	0	0	0	108.7	M1	M1-N3 PolarHBondContact O-N 2.76Å
4	L	49.3	Very low	50.1	Low	21 Å²	21	106 Å²	106	11%	0.11	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-88.8	117.8	179.6	-71.8	155.5	0	0	0	108.4	F2 L20 L44	F2-L4 HydrophobicContact CB-CD1 4.17Å; F2-L4 HydrophobicContact CB-CG 4.25Å; F2-L4 PolarHBondContact O-N 2.95Å; F2-L4 VanDerWaalsContact O-N 3.07Å; L4-L20 HydrophobicContact CD2-CB 3.37Å; L4-L20 HydrophobicContact CD2-CD1 3.38Å; L4-L20 HydrophobicContact CD2-CD2 3.94Å; L4-L20 HydrophobicContact CD2-CG 3.69Å; L4-L20 HydrophobicContact CG-CD1 4.4Å; L4-L44 HydrophobicContact CB-CD1 3.88Å; L4-L44 HydrophobicContact CD1-CB 4.05Å; L4-L44 HydrophobicContact CD1-CD1 3.24Å; L4-L44 HydrophobicContact CD1-CG 4.22Å; L4-L44 HydrophobicContact CG-CD1 4.03Å
5	K	50.8	Low	50.9	Low	159 Å²	159	104.3 Å²	104.3	69%	0.691	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-86.2	126	173.1	-65.1	-174.1	177.6	-177.7	0	108	H7 T41	K5-H7 PolarHBondContact O-N 3.36Å; K5-T41 HydrophobicContact CG-CG2 4.37Å
6	C	48.8	Very low	51.6	Low	17 Å²	17	97.9 Å²	97.9	12%	0.115	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-68.4	117.3	175.1	174.6	0	0	0	0	106.1	N8 C16 P40	C6-N8 VanDerWaalsContact C-N 3.34Å; C6-N8 PolarHBondContact O-N 3.28Å; C6-C16 WeakPolarHBondContact CB-SG 3.48Å; C6-C16 WeakPolarHBondContact SG-CB 3.19Å; C6-C16 CovalentContact SG-SG 2.07Å; C6-C16 PolarHBondContact SG-SG 2.77Å; C6-P40 WeakPolarHBondContact CB-O 3.31Å; C6-P40 PolarHBondContact N-O 3.36Å
7	H	52	Low	52.4	Low	141 Å²	141	93.5 Å²	93.5	65%	0.653	46%	0.464	S	S	*	.			trans	-89.6	80.5	178.2	-159.4	-94.6	0	0	0	108	K5 S9	K5-H7 PolarHBondContact O-N 3.36Å; H7-S9 PolarHBondContact O-N 2.91Å; H7-S9 PolarHBondContact O-OG 3.43Å
8	N	47.7	Very low	53.2	Low	139 Å²	139	88.3 Å²	88.3	74%	0.743	44%	0.438	S	S	*	.	S	Bend	trans	30	59.6	163.9	-79.6	-0.9	0	0	0	115.9	C6	C6-N8 VanDerWaalsContact C-N 3.34Å; C6-N8 PolarHBondContact O-N 3.28Å
9	S	49.8	Very low	53.7	Low	43 Å²	43	87.1 Å²	87.1	30%	0.301	43%	0.431	S	S	.	.			trans	-141.1	75.6	172.8	-70.5	0	0	0	0	108.4	H7 I11 I17	H7-S9 PolarHBondContact O-N 2.91Å; H7-S9 PolarHBondContact O-OG 3.43Å; S9-I11 PolarHBondContact O-N 3.47Å; S9-I17 PolarHBondContact O-N 2.98Å
10	I	51.1	Low	54.2	Low	96 Å²	96	84.7 Å²	84.7	49%	0.492	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	107.9	158.6	-63.5	172.8	0	0	0	105.2	D13 Y15	I10-D13 HydrophobicContact CG2-CB 4.44Å; I10-D13 VanDerWaalsContact CG2-N 3.31Å; I10-D13 WeakPolarHBondContact CG2-OD1 3.11Å; I10-Y15 WeakPolarHBondContact CA-O 3.45Å
11	I	50.6	Low	54.4	Low	40 Å²	40	83.4 Å²	83.4	21%	0.205	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113.9	164.8	-57.1	-170.4	0	0	0	106.6	S9 D13 Y15 I17 I68	S9-I11 PolarHBondContact O-N 3.47Å; I11-D13 PolarHBondContact O-N 2.8Å; I11-Y15 PolarHBondContact N-O 3Å; I11-Y15 PolarHBondContact O-N 2.79Å; I11-I17 HydrophobicContact CD1-CD1 3.4Å; I11-I17 VanDerWaalsContact CD1-CD1 3.4Å; I11-I17 HydrophobicContact CD1-CG1 4.38Å; I11-I17 HydrophobicContact CG1-CD1 4.14Å; I11-I68 HydrophobicContact CD1-CD1 4.41Å; I11-I68 HydrophobicContact CD1-CG2 4.04Å
12	N	51.9	Low	55.1	Low	134 Å²	134	77 Å²	77	72%	0.717	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	39.7	175.3	-64	-16	0	0	0	115.3	H14	N12-H14 VanDerWaalsContact O-CG 3.25Å; N12-H14 PolarHBondContact O-N 2.94Å
13	D	58.3	Low	55.9	Low	108 Å²	108	76.8 Å²	76.8	58%	0.578	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-2.9	178.2	-65.4	-39.9	0	0	0	116.4	I10 I11	I10-D13 HydrophobicContact CG2-CB 4.44Å; I10-D13 VanDerWaalsContact CG2-N 3.31Å; I10-D13 WeakPolarHBondContact CG2-OD1 3.11Å; I11-D13 PolarHBondContact O-N 2.8Å
14	H	61	Low	56.7	Low	114 Å²	114	76.6 Å²	76.6	53%	0.528	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-16.5	-171.1	-64.5	167.2	0	0	0	112.5	N12 N32 Y33	N12-H14 VanDerWaalsContact O-CG 3.25Å; N12-H14 PolarHBondContact O-N 2.94Å; H14-N32 CarbonylContact O-C 3.49Å; H14-N32 VanDerWaalsContact O-CA 3.22Å; H14-N32 WeakPolarHBondContact O-CA 3.29Å; H14-N32 PolarHBondContact O-OD1 2.92Å; H14-N32 VanDerWaalsContact O-OD1 3.11Å; H14-Y33 WeakPolarHBondContact O-CB 3.48Å; H14-Y33 PolarHBondContact O-N 3.2Å
15	Y	62.1	Low	57.1	Low	80 Å²	80	79.6 Å²	79.6	31%	0.314	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.8	-176.1	-57.3	-82.7	0	0	0	111.6	I10 I11 M30 H31 N32	I10-Y15 WeakPolarHBondContact CA-O 3.45Å; I11-Y15 PolarHBondContact N-O 3Å; I11-Y15 PolarHBondContact O-N 2.79Å; Y15-M30 VanDerWaalsContact CB-CE 3.45Å; Y15-M30 HydrophobicContact CD1-CE 3.59Å; Y15-M30 HydrophobicContact CD1-CG 4.41Å; Y15-M30 HydrophobicContact CD2-CE 3.79Å; Y15-M30 HydrophobicContact CE1-CE 4.26Å; Y15-M30 HydrophobicContact CE2-CE 4.43Å; Y15-M30 HydrophobicContact CG-CE 3.31Å; Y15-H31 CarbonylContact C-O 3.59Å; Y15-H31 WeakPolarHBondContact CA-O 3.41Å; Y15-N32 HydrophobicContact CD1-CB 4.18Å; Y15-N32 HydrophobicContact CE1-CB 4.05Å
16	C	62.6	Low	57.6	Low	3 Å²	3	73.1 Å²	73.1	2%	0.02	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.2	161.9	170.7	0	0	0	0	109.5	C6 H18 M30 H31	C6-C16 WeakPolarHBondContact CB-SG 3.48Å; C6-C16 WeakPolarHBondContact SG-CB 3.19Å; C6-C16 CovalentContact SG-SG 2.07Å; C6-C16 PolarHBondContact SG-SG 2.77Å; C16-H18 PolarHBondContact SG-CD2 2.9Å; C16-H18 PolarHBondContact SG-NE2 3.02Å; C16-M30 WeakPolarHBondContact O-CA 3.17Å; C16-H31 PolarHBondContact N-O 2.86Å; C16-H31 PolarHBondContact O-N 3.13Å
17	I	64.5	Low	58.1	Low	23 Å²	23	73.7 Å²	73.7	12%	0.118	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.8	168.3	-59.4	-178.8	0	0	0	109	S9 I11 I28 V29 M30 I68	S9-I17 PolarHBondContact O-N 2.98Å; I11-I17 HydrophobicContact CD1-CD1 3.4Å; I11-I17 VanDerWaalsContact CD1-CD1 3.4Å; I11-I17 HydrophobicContact CD1-CG1 4.38Å; I11-I17 HydrophobicContact CG1-CD1 4.14Å; I17-I28 HydrophobicContact CG2-CG2 3.48Å; I17-I28 VanDerWaalsContact CG2-CG2 3.48Å; I17-V29 CarbonylContact C-O 3.56Å; I17-V29 WeakPolarHBondContact CA-O 3.42Å; I17-M30 HydrophobicContact CG1-CB 4.28Å; I17-M30 HydrophobicContact CG1-CG 4.07Å; I17-I68 HydrophobicContact CD1-CD1 3.8Å
18	H	66.1	Low	58.8	Low	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.7	174.4	-69.4	-136.1	0	0	0	108.5	C16 I28 V29 H31 H42 L44	C16-H18 PolarHBondContact SG-CD2 2.9Å; C16-H18 PolarHBondContact SG-NE2 3.02Å; H18-I28 CarbonylContact O-C 3.6Å; H18-I28 VanDerWaalsContact O-CA 3.24Å; H18-I28 WeakPolarHBondContact O-CA 3.37Å; H18-V29 HydrophobicContact CB-CB 4.2Å; H18-V29 PolarHBondContact N-O 2.76Å; H18-V29 PolarHBondContact O-N 3.01Å; H18-H31 AromaticContact CD2-CD2 3.58Å; H18-H31 AromaticContact CD2-NE2 3.33Å; H18-H31 PolarHBondContact CD2-NE2 2.63Å; H18-H31 VanDerWaalsContact CD2-NE2 3.33Å; H18-H31 AromaticContact CE1-NE2 3.8Å; H18-H31 AromaticContact NE2-CD2 3.55Å; H18-H31 AromaticContact NE2-NE2 2.86Å; H18-H31 PolarHBondContact NE2-NE2 2.83Å; H18-H42 AromaticContact CE1-CD2 3.87Å; H18-H42 AromaticContact CE1-CE1 3.89Å; H18-H42 AromaticContact CE1-NE2 3.4Å; H18-H42 PolarHBondContact CE1-NE2 3.18Å; H18-H42 AromaticContact NE2-CD2 3.86Å; H18-H42 AromaticContact NE2-CE1 3.4Å; H18-H42 PolarHBondContact NE2-CE1 3.35Å; H18-H42 AromaticContact NE2-NE2 2.95Å; H18-H42 PolarHBondContact NE2-NE2 2.68Å; H18-L44 HydrophobicContact CB-CD1 4.14Å; H18-L44 WeakPolarHBondContact ND1-CD1 3.46Å
19	E	63.7	Low	59.5	Low	65 Å²	65	60.8 Å²	60.8	30%	0.304	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.2	167	-175.6	-171.9	148.3	0	0	108.8	T21 K26 L27 I28 L61	E19-T21 PolarHBondContact OE1-OG1 3.01Å; E19-K26 HydrophobicContact CG-CD 4.42Å; E19-K26 HydrophobicContact CG-CG 4.05Å; E19-K26 WeakPolarHBondContact OE1-CE 3.24Å; E19-K26 IonicContact OE1-NZ 2.63Å; E19-K26 PolarHBondContact OE1-NZ 3.07Å; E19-K26 WeakPolarHBondContact OE2-CE 3.41Å; E19-K26 IonicContact OE2-NZ 2.9Å; E19-K26 PolarHBondContact OE2-NZ 2.83Å; E19-L27 CarbonylContact C-O 3.51Å; E19-L27 WeakPolarHBondContact CA-O 3.39Å; E19-I28 HydrophobicContact CG-CG1 4.36Å; E19-L61 WeakPolarHBondContact OE2-CD1 3.46Å
20	L	63	Low	60.2	Low	38 Å²	38	60.3 Å²	60.3	20%	0.199	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.8	165.6	-173.4	72.9	0	0	0	108.9	F2 L4 T22 K26 L27	F2-L20 HydrophobicContact CD1-CD2 4.44Å; L4-L20 HydrophobicContact CD2-CB 3.37Å; L4-L20 HydrophobicContact CD2-CD1 3.38Å; L4-L20 HydrophobicContact CD2-CD2 3.94Å; L4-L20 HydrophobicContact CD2-CG 3.69Å; L4-L20 HydrophobicContact CG-CD1 4.4Å; L20-T22 HydrophobicContact CD1-CG2 4.3Å; L20-T22 HydrophobicContact CD2-CG2 3.55Å; L20-T22 HydrophobicContact CG-CG2 3.74Å; L20-K26 CarbonylContact O-C 3.6Å; L20-K26 VanDerWaalsContact O-CA 3.31Å; L20-K26 WeakPolarHBondContact O-CA 3.34Å; L20-L27 HydrophobicContact CB-CB 4.06Å; L20-L27 HydrophobicContact CB-CD2 4.48Å; L20-L27 HydrophobicContact CD2-CD2 4.39Å; L20-L27 PolarHBondContact N-O 3.18Å; L20-L27 PolarHBondContact O-N 2.79Å
21	T	58.2	Low	60.7	Low	58 Å²	58	55.7 Å²	55.7	36%	0.356	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	106.7	166.3	-65.4	0	0	0	0	108.7	E19 K57	E19-T21 PolarHBondContact OE1-OG1 3.01Å; T21-K57 HydrophobicContact CG2-CD 3.63Å; T21-K57 HydrophobicContact CG2-CG 3.85Å
22	T	56.8	Low	61.1	Low	55 Å²	55	54.9 Å²	54.9	34%	0.337	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	165.3	165	68.2	0	0	0	0	109.6	L20 N24 I25	L20-T22 HydrophobicContact CD1-CG2 4.3Å; L20-T22 HydrophobicContact CD2-CG2 3.55Å; L20-T22 HydrophobicContact CG-CG2 3.74Å; T22-N24 CarbonylContact O-C 3.54Å; T22-N24 PolarHBondContact O-N 2.89Å; T22-I25 PolarHBondContact N-O 3.36Å; T22-I25 PolarHBondContact O-N 2.95Å; T22-I25 VanDerWaalsContact O-O 3.08Å; T22-I25 PolarHBondContact OG1-O 3.25Å
23	N	62	Low	61.6	Low	145 Å²	145	50.3 Å²	50.3	78%	0.775	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-25.2	-50.8	-168.1	-69.3	-16.4	0	0	0	115.9
24	N	60.9	Low	61.5	Low	130 Å²	130	52.8 Å²	52.8	70%	0.695	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	-1.4	176.6	-66.2	-28	0	0	0	115.1	T22 K57	T22-N24 CarbonylContact O-C 3.54Å; T22-N24 PolarHBondContact O-N 2.89Å; N24-K57 PolarHBondContact O-N 3.25Å
25	I	57.4	Low	61.1	Low	84 Å²	84	51.2 Å²	51.2	43%	0.431	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127	-171.5	-58.5	173.7	0	0	0	109	T22 I54	T22-I25 PolarHBondContact N-O 3.36Å; T22-I25 PolarHBondContact O-N 2.95Å; T22-I25 VanDerWaalsContact O-O 3.08Å; T22-I25 PolarHBondContact OG1-O 3.25Å; I25-I54 HydrophobicContact CG2-CG2 3.46Å; I25-I54 VanDerWaalsContact CG2-CG2 3.46Å
26	K	60.5	Low	60.7	Low	22 Å²	22	50.1 Å²	50.1	10%	0.096	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.1	170.2	-177.2	173.5	171.9	131.3	0	108.3	E19 L20 F55	E19-K26 HydrophobicContact CG-CD 4.42Å; E19-K26 HydrophobicContact CG-CG 4.05Å; E19-K26 WeakPolarHBondContact OE1-CE 3.24Å; E19-K26 IonicContact OE1-NZ 2.63Å; E19-K26 PolarHBondContact OE1-NZ 3.07Å; E19-K26 WeakPolarHBondContact OE2-CE 3.41Å; E19-K26 IonicContact OE2-NZ 2.9Å; E19-K26 PolarHBondContact OE2-NZ 2.83Å; L20-K26 CarbonylContact O-C 3.6Å; L20-K26 VanDerWaalsContact O-CA 3.31Å; L20-K26 WeakPolarHBondContact O-CA 3.34Å; K26-F55 PolarHBondContact N-O 2.64Å; K26-F55 PolarHBondContact O-N 3.46Å
27	L	61	Low	60.3	Low	29 Å²	29	54.3 Å²	54.3	15%	0.152	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.2	176.1	-179.7	75.6	0	0	0	108.5	E19 L20 V29 E52 Y53 I54	E19-L27 CarbonylContact C-O 3.51Å; E19-L27 WeakPolarHBondContact CA-O 3.39Å; L20-L27 HydrophobicContact CB-CB 4.06Å; L20-L27 HydrophobicContact CB-CD2 4.48Å; L20-L27 HydrophobicContact CD2-CD2 4.39Å; L20-L27 PolarHBondContact N-O 3.18Å; L20-L27 PolarHBondContact O-N 2.79Å; L27-V29 HydrophobicContact CD1-CG2 4.38Å; L27-V29 HydrophobicContact CD2-CG2 3.56Å; L27-V29 HydrophobicContact CG-CG2 3.65Å; L27-E52 HydrophobicContact CD1-CG 3.44Å; L27-E52 VanDerWaalsContact CD1-CG 3.44Å; L27-E52 WeakPolarHBondContact CD1-OE1 3.23Å; L27-Y53 CarbonylContact C-O 3.55Å; L27-Y53 WeakPolarHBondContact CA-O 3.33Å; L27-I54 HydrophobicContact CD1-CD1 4.42Å; L27-I54 HydrophobicContact CD1-CG1 3.63Å
28	I	66.2	Low	59.6	Low	6 Å²	6	59.4 Å²	59.4	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118	173.4	-66.5	172	0	0	0	107.8	I17 H18 E19 Y53 F55 L61 I64	I17-I28 HydrophobicContact CG2-CG2 3.48Å; I17-I28 VanDerWaalsContact CG2-CG2 3.48Å; H18-I28 CarbonylContact O-C 3.6Å; H18-I28 VanDerWaalsContact O-CA 3.24Å; H18-I28 WeakPolarHBondContact O-CA 3.37Å; E19-I28 HydrophobicContact CG-CG1 4.36Å; I28-Y53 PolarHBondContact N-O 3.37Å; I28-Y53 PolarHBondContact O-N 2.95Å; I28-F55 HydrophobicContact CD1-CD2 4.36Å; I28-F55 HydrophobicContact CD1-CE2 4.29Å; I28-L61 HydrophobicContact CD1-CD2 4.31Å; I28-L61 HydrophobicContact CD1-CG 4.45Å; I28-I64 HydrophobicContact CD1-CD1 3.1Å; I28-I64 HydrophobicContact CG1-CD1 4.37Å
29	V	62.8	Low	58.8	Low	3 Å²	3	61.5 Å²	61.5	2%	0.018	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119	-176.5	-176	0	0	0	0	108.1	I17 H18 L27 L44 I49	I17-V29 CarbonylContact C-O 3.56Å; I17-V29 WeakPolarHBondContact CA-O 3.42Å; H18-V29 HydrophobicContact CB-CB 4.2Å; H18-V29 PolarHBondContact N-O 2.76Å; H18-V29 PolarHBondContact O-N 3.01Å; L27-V29 HydrophobicContact CD1-CG2 4.38Å; L27-V29 HydrophobicContact CD2-CG2 3.56Å; L27-V29 HydrophobicContact CG-CG2 3.65Å; V29-L44 HydrophobicContact CB-CD1 4.24Å; V29-L44 HydrophobicContact CG1-CD1 4.07Å; V29-L44 HydrophobicContact CG1-CD2 3.94Å; V29-L44 HydrophobicContact CG2-CD1 4.45Å; V29-I49 HydrophobicContact CG1-CB 4.19Å; V29-I49 HydrophobicContact CG1-CD1 3.79Å; V29-I49 HydrophobicContact CG1-CG1 3.63Å; V29-I49 HydrophobicContact CG1-CG2 3.66Å
30	M	64.3	Low	58.2	Low	33 Å²	33	62 Å²	62	16%	0.163	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.3	172	-174.7	177	176	0	0	109.1	Y15 C16 I17 Y50 T51 I68	Y15-M30 VanDerWaalsContact CB-CE 3.45Å; Y15-M30 HydrophobicContact CD1-CE 3.59Å; Y15-M30 HydrophobicContact CD1-CG 4.41Å; Y15-M30 HydrophobicContact CD2-CE 3.79Å; Y15-M30 HydrophobicContact CE1-CE 4.26Å; Y15-M30 HydrophobicContact CE2-CE 4.43Å; Y15-M30 HydrophobicContact CG-CE 3.31Å; C16-M30 WeakPolarHBondContact O-CA 3.17Å; I17-M30 HydrophobicContact CG1-CB 4.28Å; I17-M30 HydrophobicContact CG1-CG 4.07Å; M30-Y50 PolarHBondContact O-N 2.72Å; M30-T51 PolarHBondContact N-O 2.99Å; M30-T51 VanDerWaalsContact N-O 3.13Å; M30-I68 HydrophobicContact SD-CD1 4.48Å
31	H	60.1	Low	57.6	Low	0 Å²	0	64.4 Å²	64.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158.9	176.8	70.5	78.4	0	0	0	111.8	Y15 C16 H18 H42 L47	Y15-H31 CarbonylContact C-O 3.59Å; Y15-H31 WeakPolarHBondContact CA-O 3.41Å; C16-H31 PolarHBondContact N-O 2.86Å; C16-H31 PolarHBondContact O-N 3.13Å; H18-H31 AromaticContact CD2-CD2 3.58Å; H18-H31 AromaticContact CD2-NE2 3.33Å; H18-H31 PolarHBondContact CD2-NE2 2.63Å; H18-H31 VanDerWaalsContact CD2-NE2 3.33Å; H18-H31 AromaticContact CE1-NE2 3.8Å; H18-H31 AromaticContact NE2-CD2 3.55Å; H18-H31 AromaticContact NE2-NE2 2.86Å; H18-H31 PolarHBondContact NE2-NE2 2.83Å; H31-H42 AromaticContact CE1-CD2 3.81Å; H31-H42 AromaticContact CE1-CE1 3.95Å; H31-H42 AromaticContact CE1-NE2 3Å; H31-H42 PolarHBondContact CE1-NE2 3.31Å; H31-H42 AromaticContact NE2-CD2 3.8Å; H31-H42 AromaticContact NE2-CE1 3.87Å; H31-H42 AromaticContact NE2-NE2 2.87Å; H31-H42 PolarHBondContact NE2-NE2 3.37Å; H31-L47 HydrophobicContact CB-CB 4.26Å; H31-L47 WeakPolarHBondContact CE1-CD1 3.22Å; H31-L47 WeakPolarHBondContact ND1-CD1 3.04Å
32	N	59.3	Low	57.2	Low	22 Å²	22	62.5 Å²	62.5	12%	0.118	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	134.2	178.7	-168.4	-40.5	0	0	0	110.6	H14 Y15 M34 Y50	H14-N32 CarbonylContact O-C 3.49Å; H14-N32 VanDerWaalsContact O-CA 3.22Å; H14-N32 WeakPolarHBondContact O-CA 3.29Å; H14-N32 PolarHBondContact O-OD1 2.92Å; H14-N32 VanDerWaalsContact O-OD1 3.11Å; Y15-N32 HydrophobicContact CD1-CB 4.18Å; Y15-N32 HydrophobicContact CE1-CB 4.05Å; N32-M34 VanDerWaalsContact C-N 3.27Å; N32-M34 PolarHBondContact O-N 2.95Å; N32-M34 WeakPolarHBondContact OD1-CG 3.15Å; N32-M34 PolarHBondContact OD1-N 3.4Å; N32-M34 VanDerWaalsContact OD1-N 3.09Å; N32-Y50 HydrophobicContact CB-CD2 4.2Å; N32-Y50 HydrophobicContact CB-CE2 3.38Å
33	Y	62.9	Low	56.9	Low	39 Å²	39	61.8 Å²	61.8	15%	0.153	36%	0.355	C	S	.	.			trans	-77.4	-0.1	-173.9	-176.8	-101.4	0	0	0	114.6	H14 G35 L36 P37 H38	H14-Y33 WeakPolarHBondContact O-CB 3.48Å; H14-Y33 PolarHBondContact O-N 3.2Å; Y33-G35 PolarHBondContact O-N 3.4Å; Y33-L36 HydrophobicContact CE2-CB 4.35Å; Y33-L36 PolarHBondContact O-N 3.12Å; Y33-L36 PolarHBondContact OH-O 3.23Å; Y33-P37 PolarHBondContact OH-O 2.86Å; Y33-H38 AromaticContact CD1-NE2 3.93Å; Y33-H38 AromaticContact CE1-CD2 3.38Å; Y33-H38 WeakPolarHBondContact CE1-CD2 3.31Å; Y33-H38 AromaticContact CE1-NE2 3.2Å; Y33-H38 WeakPolarHBondContact CE1-NE2 3.2Å; Y33-H38 AromaticContact CE2-CD2 3.53Å; Y33-H38 AromaticContact CZ-CD2 2.94Å; Y33-H38 AromaticContact CZ-CG 3.7Å; Y33-H38 AromaticContact CZ-NE2 3.36Å; Y33-H38 WeakPolarHBondContact OH-CA 3.07Å; Y33-H38 WeakPolarHBondContact OH-CB 3.45Å; Y33-H38 PolarHBondContact OH-CD2 2.87Å; Y33-H38 PolarHBondContact OH-N 3.15Å; Y33-H38 PolarHBondContact OH-NE2 3Å
34	M	57.2	Low	56.4	Low	159 Å²	159	56 Å²	56	78%	0.783	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.3	95.1	-175.6	-73	-108.5	-126.8	0	0	114.7	N32	N32-M34 VanDerWaalsContact C-N 3.27Å; N32-M34 PolarHBondContact O-N 2.95Å; N32-M34 WeakPolarHBondContact OD1-CG 3.15Å; N32-M34 PolarHBondContact OD1-N 3.4Å; N32-M34 VanDerWaalsContact OD1-N 3.09Å
35	G	51.9	Low	55.9	Low	81 Å²	81	53 Å²	53	84%	0.835	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	6.4	166.9	0	0	0	0	0	117.4	Y33	Y33-G35 PolarHBondContact O-N 3.4Å
36	L	53.7	Low	55.5	Low	57 Å²	57	58.9 Å²	58.9	30%	0.298	33%	0.328	S	S	.	.			trans	-83.2	156.7	170.9	-71.6	177.6	0	0	0	111	Y33 L47	Y33-L36 HydrophobicContact CE2-CB 4.35Å; Y33-L36 PolarHBondContact O-N 3.12Å; Y33-L36 PolarHBondContact OH-O 3.23Å; L36-L47 HydrophobicContact CD1-CD1 3.22Å; L36-L47 HydrophobicContact CD1-CD2 3.67Å; L36-L47 HydrophobicContact CD1-CG 3.71Å; L36-L47 HydrophobicContact CG-CD2 4.36Å
37	P	53.5	Low	55.2	Low	91 Å²	91	59.2 Å²	59.2	59%	0.591	33%	0.331	S	S	*	.			trans	-69.9	148.4	171.4	26.5	-32.1	0	0	0	110.6	Y33 S39	Y33-P37 PolarHBondContact OH-O 2.86Å; P37-S39 PolarHBondContact O-N 3.33Å
38	H	50.2	Low	54.9	Low	131 Å²	131	61.6 Å²	61.6	61%	0.606	35%	0.348	S	S	*	.			trans	-74.1	65.4	179.9	-80.7	145.4	0	0	0	107.5	Y33	Y33-H38 AromaticContact CD1-NE2 3.93Å; Y33-H38 AromaticContact CE1-CD2 3.38Å; Y33-H38 WeakPolarHBondContact CE1-CD2 3.31Å; Y33-H38 AromaticContact CE1-NE2 3.2Å; Y33-H38 WeakPolarHBondContact CE1-NE2 3.2Å; Y33-H38 AromaticContact CE2-CD2 3.53Å; Y33-H38 AromaticContact CZ-CD2 2.94Å; Y33-H38 AromaticContact CZ-CG 3.7Å; Y33-H38 AromaticContact CZ-NE2 3.36Å; Y33-H38 WeakPolarHBondContact OH-CA 3.07Å; Y33-H38 WeakPolarHBondContact OH-CB 3.45Å; Y33-H38 PolarHBondContact OH-CD2 2.87Å; Y33-H38 PolarHBondContact OH-N 3.15Å; Y33-H38 PolarHBondContact OH-NE2 3Å
39	S	49	Very low	54.5	Low	43 Å²	43	65.3 Å²	65.3	30%	0.301	37%	0.367	S	S	.	.			trans	-102.1	126.6	174.4	-174.8	0	0	0	0	107.5	P37 T41 H42	P37-S39 PolarHBondContact O-N 3.33Å; S39-T41 PolarHBondContact O-N 2.07Å; S39-T41 PolarHBondContact OG-N 2.75Å; S39-T41 PolarHBondContact OG-O 3.32Å; S39-T41 PolarHBondContact OG-OG1 3.35Å; S39-H42 PolarHBondContact O-ND1 3.1Å; S39-H42 VanDerWaalsContact O-ND1 3.12Å
40	P	50.6	Low	54.3	Low	76 Å²	76	71.5 Å²	71.5	49%	0.494	39%	0.391	S	S	.	.	S	Bend	trans	-58.8	-11.5	171.6	23.8	-31.7	0	0	0	112.2	C6	C6-P40 WeakPolarHBondContact CB-O 3.31Å; C6-P40 PolarHBondContact N-O 3.36Å
41	T	50.5	Low	54	Low	88 Å²	88	72.2 Å²	72.2	54%	0.54	40%	0.397	S	S	.	.			trans	-122.5	92.7	173.8	60.4	0	0	0	0	109.8	K5 S39	K5-T41 HydrophobicContact CG-CG2 4.37Å; S39-T41 PolarHBondContact O-N 2.07Å; S39-T41 PolarHBondContact OG-N 2.75Å; S39-T41 PolarHBondContact OG-O 3.32Å; S39-T41 PolarHBondContact OG-OG1 3.35Å
42	H	50.3	Low	53.9	Low	18 Å²	18	77.4 Å²	77.4	8%	0.083	42%	0.422	C	S	.	.			trans	-119.3	145.1	165.8	56.8	-86	0	0	0	109.8	H18 H31 S39	H18-H42 AromaticContact CE1-CD2 3.87Å; H18-H42 AromaticContact CE1-CE1 3.89Å; H18-H42 AromaticContact CE1-NE2 3.4Å; H18-H42 PolarHBondContact CE1-NE2 3.18Å; H18-H42 AromaticContact NE2-CD2 3.86Å; H18-H42 AromaticContact NE2-CE1 3.4Å; H18-H42 PolarHBondContact NE2-CE1 3.35Å; H18-H42 AromaticContact NE2-NE2 2.95Å; H18-H42 PolarHBondContact NE2-NE2 2.68Å; H31-H42 AromaticContact CE1-CD2 3.81Å; H31-H42 AromaticContact CE1-CE1 3.95Å; H31-H42 AromaticContact CE1-NE2 3Å; H31-H42 PolarHBondContact CE1-NE2 3.31Å; H31-H42 AromaticContact NE2-CD2 3.8Å; H31-H42 AromaticContact NE2-CE1 3.87Å; H31-H42 AromaticContact NE2-NE2 2.87Å; H31-H42 PolarHBondContact NE2-NE2 3.37Å; S39-H42 PolarHBondContact O-ND1 3.1Å; S39-H42 VanDerWaalsContact O-ND1 3.12Å
43	S	50.4	Low	53.9	Low	41 Å²	41	81.6 Å²	81.6	29%	0.287	44%	0.437	S	S	.	.			trans	-81	127.6	-178.6	-174.6	0	0	0	0	109.5	T45	S43-T45 WeakPolarHBondContact CB-OG1 3.48Å; S43-T45 PolarHBondContact O-N 3.35Å; S43-T45 WeakPolarHBondContact OG-CG2 3.42Å; S43-T45 PolarHBondContact OG-OG1 3.26Å
44	L	52.6	Low	53.5	Low	22 Å²	22	84.8 Å²	84.8	12%	0.115	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-66.4	3.9	174.1	-93.7	163.6	0	0	0	113.6	L4 H18 V29 Y46 I49	L4-L44 HydrophobicContact CB-CD1 3.88Å; L4-L44 HydrophobicContact CD1-CB 4.05Å; L4-L44 HydrophobicContact CD1-CD1 3.24Å; L4-L44 HydrophobicContact CD1-CG 4.22Å; L4-L44 HydrophobicContact CG-CD1 4.03Å; H18-L44 HydrophobicContact CB-CD1 4.14Å; H18-L44 WeakPolarHBondContact ND1-CD1 3.46Å; V29-L44 HydrophobicContact CB-CD1 4.24Å; V29-L44 HydrophobicContact CG1-CD1 4.07Å; V29-L44 HydrophobicContact CG1-CD2 3.94Å; V29-L44 HydrophobicContact CG2-CD1 4.45Å; L44-Y46 PolarHBondContact O-N 3.11Å; L44-I49 HydrophobicContact CD2-CG1 4.37Å
45	T	49.3	Very low	53.5	Low	68 Å²	68	79.7 Å²	79.7	42%	0.417	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-60.6	-15.4	-175.1	36.8	0	0	0	0	114.7	M1 S43	M1-T45 HydrophobicContact CG-CG2 4.08Å; M1-T45 HydrophobicContact SD-CG2 3.99Å; S43-T45 WeakPolarHBondContact CB-OG1 3.48Å; S43-T45 PolarHBondContact O-N 3.35Å; S43-T45 WeakPolarHBondContact OG-CG2 3.42Å; S43-T45 PolarHBondContact OG-OG1 3.26Å
46	Y	50.1	Low	53.6	Low	207 Å²	207	79.2 Å²	79.2	81%	0.812	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-133.6	3.1	-170.8	-64.1	-71.9	0	0	0	116	L44	L44-Y46 PolarHBondContact O-N 3.11Å
47	L	52.5	Low	53.7	Low	29 Å²	29	82.2 Å²	82.2	15%	0.152	42%	0.422	C	S	.	.	S	Bend	trans	-103.7	136.6	-174.8	-68.2	167.1	0	0	0	111.6	H31 L36 I49	H31-L47 HydrophobicContact CB-CB 4.26Å; H31-L47 WeakPolarHBondContact CE1-CD1 3.22Å; H31-L47 WeakPolarHBondContact ND1-CD1 3.04Å; L36-L47 HydrophobicContact CD1-CD1 3.22Å; L36-L47 HydrophobicContact CD1-CD2 3.67Å; L36-L47 HydrophobicContact CD1-CG 3.71Å; L36-L47 HydrophobicContact CG-CD2 4.36Å; L47-I49 PolarHBondContact O-N 3.03Å; L47-I49 VanDerWaalsContact O-N 3.11Å
48	P	54.6	Low	53.6	Low	80 Å²	80	83 Å²	83	52%	0.519	43%	0.43	S	S	.	.			trans	-61.6	117.6	169.1	25.9	-31	0	0	0	108.5	Y50	P48-Y50 HydrophobicContact CB-CE2 4.5Å; P48-Y50 HydrophobicContact CG-CE2 4.07Å; P48-Y50 VanDerWaalsContact O-CD2 3.31Å; P48-Y50 WeakPolarHBondContact O-CD2 3.2Å; P48-Y50 WeakPolarHBondContact O-CE2 3.38Å; P48-Y50 PolarHBondContact O-N 3.05Å
49	I	59.6	Low	53.7	Low	84 Å²	84	80.1 Å²	80.1	43%	0.431	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	114.4	171.7	-63.2	174.9	0	0	0	106.6	V29 L44 L47 E52	V29-I49 HydrophobicContact CG1-CB 4.19Å; V29-I49 HydrophobicContact CG1-CD1 3.79Å; V29-I49 HydrophobicContact CG1-CG1 3.63Å; V29-I49 HydrophobicContact CG1-CG2 3.66Å; L44-I49 HydrophobicContact CD2-CG1 4.37Å; L47-I49 PolarHBondContact O-N 3.03Å; L47-I49 VanDerWaalsContact O-N 3.11Å; I49-E52 HydrophobicContact CG2-CB 4.23Å
50	Y	57.4	Low	53.7	Low	132 Å²	132	84.6 Å²	84.6	52%	0.518	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-37	178.8	-71.6	-90.3	0	0	0	111	M30 N32 P48	M30-Y50 PolarHBondContact O-N 2.72Å; N32-Y50 HydrophobicContact CB-CD2 4.2Å; N32-Y50 HydrophobicContact CB-CE2 3.38Å; P48-Y50 HydrophobicContact CB-CE2 4.5Å; P48-Y50 HydrophobicContact CG-CE2 4.07Å; P48-Y50 VanDerWaalsContact O-CD2 3.31Å; P48-Y50 WeakPolarHBondContact O-CD2 3.2Å; P48-Y50 WeakPolarHBondContact O-CE2 3.38Å; P48-Y50 PolarHBondContact O-N 3.05Å
51	T	57.5	Low	53.6	Low	48 Å²	48	83.9 Å²	83.9	29%	0.294	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	129.8	-178	-41.4	0	0	0	0	110.5	M30 Y53	M30-T51 PolarHBondContact N-O 2.99Å; M30-T51 VanDerWaalsContact N-O 3.13Å; T51-Y53 HydrophobicContact CG2-CD2 3.85Å; T51-Y53 HydrophobicContact CG2-CE1 4.12Å; T51-Y53 HydrophobicContact CG2-CE2 3.19Å
52	E	58.7	Low	53.1	Low	110 Å²	110	85.4 Å²	85.4	51%	0.514	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.1	175.2	-172.1	-179.6	166.9	0	0	108.7	L27 I49 I54	L27-E52 HydrophobicContact CD1-CG 3.44Å; L27-E52 VanDerWaalsContact CD1-CG 3.44Å; L27-E52 WeakPolarHBondContact CD1-OE1 3.23Å; I49-E52 HydrophobicContact CG2-CB 4.23Å; E52-I54 HydrophobicContact CG-CG1 4.28Å; E52-I54 WeakPolarHBondContact OE1-CD1 3.49Å
53	Y	60.1	Low	52.5	Low	110 Å²	110	91.9 Å²	91.9	43%	0.431	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.5	171.8	-61.9	-79.4	0	0	0	110.3	L27 I28 T51 F55	L27-Y53 CarbonylContact C-O 3.55Å; L27-Y53 WeakPolarHBondContact CA-O 3.33Å; I28-Y53 PolarHBondContact N-O 3.37Å; I28-Y53 PolarHBondContact O-N 2.95Å; T51-Y53 HydrophobicContact CG2-CD2 3.85Å; T51-Y53 HydrophobicContact CG2-CE1 4.12Å; T51-Y53 HydrophobicContact CG2-CE2 3.19Å; Y53-F55 HydrophobicContact CD1-CZ 4.25Å; Y53-F55 HydrophobicContact CG-CE2 4.19Å; Y53-F55 HydrophobicContact CG-CZ 4.19Å
54	I	54.8	Low	52.2	Low	106 Å²	106	91.1 Å²	91.1	54%	0.544	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.7	177.8	-54.1	177.6	0	0	0	108.4	I25 L27 E52	I25-I54 HydrophobicContact CG2-CG2 3.46Å; I25-I54 VanDerWaalsContact CG2-CG2 3.46Å; L27-I54 HydrophobicContact CD1-CD1 4.42Å; L27-I54 HydrophobicContact CD1-CG1 3.63Å; E52-I54 HydrophobicContact CG-CG1 4.28Å; E52-I54 WeakPolarHBondContact OE1-CD1 3.49Å
55	F	57.5	Low	51.3	Low	52 Å²	52	96.6 Å²	96.6	23%	0.228	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.1	176.3	-57.8	-76.8	0	0	0	110.6	K26 I28 Y53 K57 I59 I64	K26-F55 PolarHBondContact N-O 2.64Å; K26-F55 PolarHBondContact O-N 3.46Å; I28-F55 HydrophobicContact CD1-CD2 4.36Å; I28-F55 HydrophobicContact CD1-CE2 4.29Å; Y53-F55 HydrophobicContact CD1-CZ 4.25Å; Y53-F55 HydrophobicContact CG-CE2 4.19Å; Y53-F55 HydrophobicContact CG-CZ 4.19Å; F55-K57 PolarHBondContact O-N 3.38Å; F55-I59 HydrophobicContact CB-CB 4.3Å; F55-I59 HydrophobicContact CB-CD1 4.21Å; F55-I59 HydrophobicContact CD1-CD1 3.97Å; F55-I59 HydrophobicContact CD1-CG2 4.46Å; F55-I64 HydrophobicContact CD2-CD1 4.27Å; F55-I64 HydrophobicContact CE2-CD1 3.44Å; F55-I64 VanDerWaalsContact CE2-CD1 3.44Å; F55-I64 HydrophobicContact CE2-CG1 4.3Å; F55-I64 HydrophobicContact CZ-CD1 3.94Å; F55-I64 HydrophobicContact CZ-CG1 4.33Å
56	P	53.6	Low	50.6	Low	71 Å²	71	100.1 Å²	100.1	46%	0.461	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	138.3	159	22.2	-28.1	0	0	0	109.2	S58 I59	P56-S58 PolarHBondContact O-N 3.03Å; P56-I59 HydrophobicContact CG-CD1 3.73Å; P56-I59 HydrophobicContact CG-CG1 4.01Å; P56-I59 PolarHBondContact O-N 3.37Å
57	K	54.9	Low	49.9	Very low	119 Å²	119	101.1 Å²	101.1	52%	0.517	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-22.5	-176.7	-178.3	178	176	-178.7	0	114	T21 N24 F55 I59	T21-K57 HydrophobicContact CG2-CD 3.63Å; T21-K57 HydrophobicContact CG2-CG 3.85Å; N24-K57 PolarHBondContact O-N 3.25Å; F55-K57 PolarHBondContact O-N 3.38Å; K57-I59 PolarHBondContact O-N 2.76Å
58	S	51.5	Low	49.2	Very low	108 Å²	108	105.3 Å²	105.3	76%	0.755	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.2	177.2	54.6	0	0	0	0	114.9	P56 L60	P56-S58 PolarHBondContact O-N 3.03Å; S58-L60 PolarHBondContact O-N 3.31Å
59	I	52.3	Low	48.9	Very low	70 Å²	70	106.6 Å²	106.6	36%	0.359	52%	0.519	S	S	.	.	S	Bend	trans	-82.8	110.6	-179.9	-61.5	-179.4	0	0	0	109.7	F55 P56 K57	F55-I59 HydrophobicContact CB-CB 4.3Å; F55-I59 HydrophobicContact CB-CD1 4.21Å; F55-I59 HydrophobicContact CD1-CD1 3.97Å; F55-I59 HydrophobicContact CD1-CG2 4.46Å; P56-I59 HydrophobicContact CG-CD1 3.73Å; P56-I59 HydrophobicContact CG-CG1 4.01Å; P56-I59 PolarHBondContact O-N 3.37Å; K57-I59 PolarHBondContact O-N 2.76Å
60	L	49.7	Very low	48.4	Very low	137 Å²	137	107.7 Å²	107.7	72%	0.717	52%	0.524	S	S	*	.			trans	-68.8	135.3	176.4	-155.4	77.3	0	0	0	110.8	S58 N62	S58-L60 PolarHBondContact O-N 3.31Å; L60-N62 PolarHBondContact O-N 3.27Å
61	L	47.3	Very low	47.9	Very low	62 Å²	62	106.4 Å²	106.4	33%	0.325	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-7.5	-164.6	-130.5	161.2	0	0	0	116.3	E19 I28 K63 I64	E19-L61 WeakPolarHBondContact OE2-CD1 3.46Å; I28-L61 HydrophobicContact CD1-CD2 4.31Å; I28-L61 HydrophobicContact CD1-CG 4.45Å; L61-K63 PolarHBondContact O-N 2.77Å; L61-I64 HydrophobicContact CD2-CB 4.27Å; L61-I64 HydrophobicContact CD2-CD1 4.29Å; L61-I64 PolarHBondContact O-N 3.09Å
62	N	41.7	Very low	47.3	Very low	119 Å²	119	109.8 Å²	109.8	64%	0.636	54%	0.538	S	S	*	.	H	α-helix	trans	-58.7	-18.4	-173.3	-67.1	4.3	0	0	0	113.2	L60	L60-N62 PolarHBondContact O-N 3.27Å
63	K	36.6	Very low	46.6	Very low	155 Å²	155	109.8 Å²	109.8	67%	0.674	54%	0.539	S	S	*	.	H	α-helix	trans	-81.2	-16.1	-178.5	-68.9	-168.1	175.1	-177.2	0	116.4	L61	L61-K63 PolarHBondContact O-N 2.77Å
64	I	43.4	Very low	45.7	Very low	24 Å²	24	109.8 Å²	109.8	12%	0.123	55%	0.546	C	S	.	.	H	α-helix	trans	-91.5	-36.3	-175.1	-63.8	167.2	0	0	0	111	I28 F55 L61 D66 R67 I68	I28-I64 HydrophobicContact CD1-CD1 3.1Å; I28-I64 HydrophobicContact CG1-CD1 4.37Å; F55-I64 HydrophobicContact CD2-CD1 4.27Å; F55-I64 HydrophobicContact CE2-CD1 3.44Å; F55-I64 VanDerWaalsContact CE2-CD1 3.44Å; F55-I64 HydrophobicContact CE2-CG1 4.3Å; F55-I64 HydrophobicContact CZ-CD1 3.94Å; F55-I64 HydrophobicContact CZ-CG1 4.33Å; L61-I64 HydrophobicContact CD2-CB 4.27Å; L61-I64 HydrophobicContact CD2-CD1 4.29Å; L61-I64 PolarHBondContact O-N 3.09Å; I64-D66 PolarHBondContact O-N 3.32Å; I64-R67 PolarHBondContact O-N 2.78Å; I64-R67 VanDerWaalsContact O-N 3.1Å; I64-I68 HydrophobicContact CG2-CD1 3.82Å; I64-I68 HydrophobicContact CG2-CG1 4.41Å; I64-I68 PolarHBondContact O-N 3.11Å
65	H	34.5	Very low	45.1	Very low	137 Å²	137	110.1 Å²	110.1	63%	0.634	55%	0.546	S	S	*	.	H	α-helix	trans	-61.2	-33.7	172.3	-115.6	87.4	0	0	0	111.9	R67	H65-R67 VanDerWaalsContact C-N 3.26Å; H65-R67 PolarHBondContact O-N 2.73Å
66	D	34.7	Very low	44.1	Very low	142 Å²	142	114.5 Å²	114.5	76%	0.759	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-9.1	177.2	-72.5	-23.2	0	0	0	114.2	I64	I64-D66 PolarHBondContact O-N 3.32Å
67	R	35.6	Very low	43.3	Very low	228 Å²	228	118.2 Å²	118.2	86%	0.86	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	-4.2	-175.9	-81.5	-167.5	174.7	-158.7	-1.1	114.6	I64 H65	I64-R67 PolarHBondContact O-N 2.78Å; I64-R67 VanDerWaalsContact O-N 3.1Å; H65-R67 VanDerWaalsContact C-N 3.26Å; H65-R67 PolarHBondContact O-N 2.73Å
68	I	37.5	Very low	42.2	Very low	117 Å²	117	118.1 Å²	118.1	60%	0.6	59%	0.586	S	S	*	*			trans	-110.3	0	174.1	-58.9	176.1	0	0	0	107.5	I11 I17 M30 I64	I11-I68 HydrophobicContact CD1-CD1 4.41Å; I11-I68 HydrophobicContact CD1-CG2 4.04Å; I17-I68 HydrophobicContact CD1-CD1 3.8Å; M30-I68 HydrophobicContact SD-CD1 4.48Å; I64-I68 HydrophobicContact CG2-CD1 3.82Å; I64-I68 HydrophobicContact CG2-CG1 4.41Å; I64-I68 PolarHBondContact O-N 3.11Å

Retrieved 68 of 68 residues in 50.3 ms (Link to these results)

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