A0A5K4FA62_SCHMA Loading...

Peptidase A1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FA62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 93 aa.

						>A0A5K4FA62_SCHMA|A0A5K4FA62
MGSEICLTGFMGLDLPKRKLWILGDIFIGKFYTVFDMGKNRVGFAKALHPDSVHRTKTYIPMMRLFPAQSVPQAASETPNGVFAFSKLLSDEV
					

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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	62.6	Low	88.3	Confident	247 Å²	247	136 Å²	136	100%	1.217	78%	0.783	S	S	*	*				0	123.3	0	-60.3	-55.8	-174.5	0	0	107.4
2	G	88	Confident	88.3	Confident	86 Å²	86	131.4 Å²	131.4	89%	0.887	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-90.9	154	175.3	0	0	0	0	0	111.3
3	S	89.2	Confident	88.1	Confident	100 Å²	100	129.3 Å²	129.3	70%	0.699	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-101	140.2	171.5	55.6	0	0	0	0	110.4
4	E	94.1	Very high	87.7	Confident	192 Å²	192	131.9 Å²	131.9	90%	0.897	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.8	129.3	166.7	-173.4	177.6	-175	0	0	109.5
5	I	93.7	Very high	87	Confident	113 Å²	113	127.1 Å²	127.1	58%	0.579	75%	0.746	S	S	*	*			trans	-131.9	142.7	175.9	63.8	174	0	0	0	109.5	L7	I5-L7 HydrophobicContact CD1-CD1 4.37Å; I5-L7 HydrophobicContact CD1-CD2 3.86Å; I5-L7 HydrophobicContact CD1-CG 4.17Å; I5-L7 HydrophobicContact CG1-CD2 4.38Å; I5-L7 HydrophobicContact CG1-CG 4.3Å
6	C	93.2	Very high	86.4	Confident	126 Å²	126	124 Å²	124	85%	0.851	73%	0.731	S	S	*	*			trans	-93.1	127.2	170.3	-59.5	0	0	0	0	109.3
7	L	91.7	Very high	85.4	Confident	146 Å²	146	124.5 Å²	124.5	76%	0.764	72%	0.722	S	S	*	*			trans	-110.4	149.4	177	-63.4	176.8	0	0	0	110.4	I5	I5-L7 HydrophobicContact CD1-CD1 4.37Å; I5-L7 HydrophobicContact CD1-CD2 3.86Å; I5-L7 HydrophobicContact CD1-CG 4.17Å; I5-L7 HydrophobicContact CG1-CD2 4.38Å; I5-L7 HydrophobicContact CG1-CG 4.3Å
8	T	90.7	Very high	84.6	Confident	106 Å²	106	127.7 Å²	127.7	65%	0.65	72%	0.72	S	S	*	*			trans	-70.4	144.4	171.7	167.5	0	0	0	0	110.5	F10	T8-F10 PolarHBondContact O-N 2.99Å; T8-F10 PolarHBondContact OG1-N 3.36Å
9	G	87.6	Confident	84.2	Confident	52 Å²	52	132.3 Å²	132.3	54%	0.536	73%	0.731	S	S	.	*	S	Bend	trans	-80.9	1.7	171.9	0	0	0	0	0	114.3
10	F	90.5	Very high	84.2	Confident	160 Å²	160	130.6 Å²	130.6	70%	0.702	72%	0.72	S	S	*	*			trans	-95.4	140.2	177.7	-68.2	-91.8	0	0	0	111	T8 W21	T8-F10 PolarHBondContact O-N 2.99Å; T8-F10 PolarHBondContact OG1-N 3.36Å; F10-W21 HydrophobicContact CD1-CZ3 4.47Å
11	M	89.5	Confident	84.3	Confident	168 Å²	168	134.4 Å²	134.4	83%	0.828	72%	0.724	S	S	*	*			trans	-131.4	130.1	174.3	-175.3	179	-62.1	0	0	108.8
12	G	88.8	Confident	85.4	Confident	81 Å²	81	128.3 Å²	128.3	84%	0.835	70%	0.695	S	S	*	*			trans	-75	123.8	168.5	0	0	0	0	0	109.1
13	L	85	Confident	85.5	Confident	104 Å²	104	128.5 Å²	128.5	55%	0.545	68%	0.675	S	S	.	*			trans	-134	119.1	176	-178.1	64.6	0	0	0	108.8	L15 I22	L13-L15 HydrophobicContact CD2-CD2 3.56Å; L13-L15 HydrophobicContact CD2-CG 3.96Å; L13-L15 HydrophobicContact CG-CD2 3.98Å; L13-L15 HydrophobicContact CG-CG 4.06Å; L13-L15 PolarHBondContact O-N 3.01Å; L13-L15 VanDerWaalsContact O-N 3.12Å; L13-I22 HydrophobicContact CD2-CD1 3.89Å
14	D	83	Confident	85.4	Confident	166 Å²	166	125.1 Å²	125.1	89%	0.888	66%	0.656	S	S	*	*			trans	-80.8	91.5	173.6	-67.9	-41.6	0	0	0	108.9
15	L	77.9	Confident	85	Confident	59 Å²	59	122.2 Å²	122.2	31%	0.309	65%	0.647	S	S	.	*			trans	-77.3	132.6	173.9	-69.1	170.5	0	0	0	109.8	L13 L20 I22	L13-L15 HydrophobicContact CD2-CD2 3.56Å; L13-L15 HydrophobicContact CD2-CG 3.96Å; L13-L15 HydrophobicContact CG-CD2 3.98Å; L13-L15 HydrophobicContact CG-CG 4.06Å; L13-L15 PolarHBondContact O-N 3.01Å; L13-L15 VanDerWaalsContact O-N 3.12Å; L15-L20 HydrophobicContact CD1-CB 3.89Å; L15-I22 HydrophobicContact CD1-CD1 4.22Å; L15-I22 HydrophobicContact CD1-CG1 4.28Å
16	P	76.1	Confident	84.6	Confident	78 Å²	78	122 Å²	122	51%	0.506	65%	0.646	S	S	.	*	S	Bend	trans	-61.7	162.1	171.3	20.5	-22.4	0	0	0	110.7	R18 E92	P16-R18 PolarHBondContact O-N 3.48Å; P16-E92 WeakPolarHBondContact CB-OE1 3.5Å; P16-E92 HydrophobicContact CG-CG 4.16Å; P16-E92 WeakPolarHBondContact CG-OE1 3.4Å
17	K	70.6	Confident	84.4	Confident	132 Å²	132	119 Å²	119	57%	0.574	62%	0.618	S	S	*	*	S	Bend	trans	64.5	-31.1	173.8	-54.2	-178.5	-171.7	-166.3	0	117.8	D91 E92 V93	K17-D91 PolarHBondContact NZ-O 3.12Å; K17-E92 WeakPolarHBondContact CB-OE1 3.43Å; K17-E92 HydrophobicContact CD-CG 3.95Å; K17-E92 VanDerWaalsContact CD-OE1 3.25Å; K17-E92 WeakPolarHBondContact CD-OE1 3.23Å; K17-E92 WeakPolarHBondContact CG-OE1 3.44Å; K17-V93 PolarHBondContact NZ-O 3.47Å
18	R	70.4	Confident	84.2	Confident	183 Å²	183	115.7 Å²	115.7	69%	0.691	60%	0.6	S	S	*	*	S	Bend	trans	-151.5	148.2	-176.6	-64.7	-172.8	-179.6	-170.9	1	114.5	P16 L20	P16-R18 PolarHBondContact O-N 3.48Å; R18-L20 HydrophobicContact CB-CD1 4.07Å; R18-L20 HydrophobicContact CB-CD2 4.1Å; R18-L20 HydrophobicContact CB-CG 3.7Å; R18-L20 PolarHBondContact O-N 3.28Å
19	K	77.7	Confident	83.9	Confident	215 Å²	215	113.1 Å²	113.1	94%	0.935	60%	0.595	S	S	*	*			trans	-76	87.1	166.8	-65.8	-174.8	-179.3	-177.2	0	109.6
20	L	84.3	Confident	83.7	Confident	97 Å²	97	117.4 Å²	117.4	51%	0.508	60%	0.599	S	S	.	*			trans	-107.2	152.1	-179.9	-62.3	174	0	0	0	111.4	L15 R18	L15-L20 HydrophobicContact CD1-CB 3.89Å; R18-L20 HydrophobicContact CB-CD1 4.07Å; R18-L20 HydrophobicContact CB-CD2 4.1Å; R18-L20 HydrophobicContact CB-CG 3.7Å; R18-L20 PolarHBondContact O-N 3.28Å
21	W	85.7	Confident	83.5	Confident	212 Å²	212	112.7 Å²	112.7	80%	0.803	58%	0.579	S	S	*	*			trans	-108.3	133.6	167.6	-72.3	92	0	0	0	109.2	F10	F10-W21 HydrophobicContact CD1-CZ3 4.47Å
22	I	86	Confident	83.4	Confident	118 Å²	118	110.5 Å²	110.5	61%	0.605	56%	0.562	S	S	*	*			trans	-94.9	112.6	170.8	-58.8	176.7	0	0	0	107.7	L13 L15 G24	L13-I22 HydrophobicContact CD2-CD1 3.89Å; L15-I22 HydrophobicContact CD1-CD1 4.22Å; L15-I22 HydrophobicContact CD1-CG1 4.28Å; I22-G24 PolarHBondContact O-N 3.41Å
23	L	89.1	Confident	83.3	Confident	90 Å²	90	107.6 Å²	107.6	47%	0.471	53%	0.528	S	S	.	.			trans	-84.3	89.5	171.6	-58.1	-175.6	0	0	0	108.6	F27	L23-F27 HydrophobicContact CB-CB 4.09Å; L23-F27 HydrophobicContact CB-CD1 3.91Å; L23-F27 HydrophobicContact CB-CG 3.98Å; L23-F27 HydrophobicContact CD1-CD1 4.04Å; L23-F27 HydrophobicContact CD1-CE1 3.87Å; L23-F27 HydrophobicContact CD1-CE2 4.36Å; L23-F27 HydrophobicContact CD1-CG 4.36Å; L23-F27 HydrophobicContact CD1-CZ 4.05Å; L23-F27 HydrophobicContact CD2-CD2 4.19Å; L23-F27 HydrophobicContact CD2-CG 4.29Å; L23-F27 HydrophobicContact CG-CD1 4.45Å; L23-F27 HydrophobicContact CG-CG 4.44Å
24	G	88.2	Confident	83.5	Confident	29 Å²	29	105.8 Å²	105.8	30%	0.299	52%	0.521	S	S	.	.			trans	-78.7	-160.2	-175.6	0	0	0	0	0	115.1	I22 I26 F27 I28	I22-G24 PolarHBondContact O-N 3.41Å; G24-I26 VanDerWaalsContact C-N 3.3Å; G24-I26 PolarHBondContact O-N 3.44Å; G24-F27 PolarHBondContact O-N 3.19Å; G24-F27 VanDerWaalsContact O-N 3.08Å; G24-I28 PolarHBondContact O-N 3.11Å
25	D	85.2	Confident	83.8	Confident	131 Å²	131	104.2 Å²	104.2	70%	0.701	51%	0.507	S	S	*	.	H	α-helix	trans	-56.2	-37.9	178.6	61.9	-22.8	0	0	0	113.5	F27 I28 G29	D25-F27 VanDerWaalsContact C-N 3.25Å; D25-F27 PolarHBondContact O-N 2.91Å; D25-I28 PolarHBondContact O-N 3.1Å; D25-G29 WeakPolarHBondContact O-CA 3.48Å; D25-G29 PolarHBondContact O-N 3.25Å
26	I	86.5	Confident	84.2	Confident	109 Å²	109	103.4 Å²	103.4	56%	0.559	50%	0.503	S	S	*	.	H	α-helix	trans	-59.5	-38.9	176.1	-56.4	-57.9	0	0	0	111.5	G24	G24-I26 VanDerWaalsContact C-N 3.3Å; G24-I26 PolarHBondContact O-N 3.44Å
27	F	88.4	Confident	84.7	Confident	64 Å²	64	105.2 Å²	105.2	28%	0.281	51%	0.506	S	S	.	.	H	α-helix	trans	-76.9	-52.4	178	-173.5	-89.1	0	0	0	111.1	L23 G24 D25 G29 K30 F31 F44	L23-F27 HydrophobicContact CB-CB 4.09Å; L23-F27 HydrophobicContact CB-CD1 3.91Å; L23-F27 HydrophobicContact CB-CG 3.98Å; L23-F27 HydrophobicContact CD1-CD1 4.04Å; L23-F27 HydrophobicContact CD1-CE1 3.87Å; L23-F27 HydrophobicContact CD1-CE2 4.36Å; L23-F27 HydrophobicContact CD1-CG 4.36Å; L23-F27 HydrophobicContact CD1-CZ 4.05Å; L23-F27 HydrophobicContact CD2-CD2 4.19Å; L23-F27 HydrophobicContact CD2-CG 4.29Å; L23-F27 HydrophobicContact CG-CD1 4.45Å; L23-F27 HydrophobicContact CG-CG 4.44Å; G24-F27 PolarHBondContact O-N 3.19Å; G24-F27 VanDerWaalsContact O-N 3.08Å; D25-F27 VanDerWaalsContact C-N 3.25Å; D25-F27 PolarHBondContact O-N 2.91Å; F27-G29 VanDerWaalsContact C-N 3.25Å; F27-G29 PolarHBondContact O-N 2.87Å; F27-K30 PolarHBondContact O-N 2.93Å; F27-K30 VanDerWaalsContact O-N 3.12Å; F27-F31 HydrophobicContact CD1-CD2 4.22Å; F27-F31 HydrophobicContact CD2-CD2 4.13Å; F27-F31 HydrophobicContact CD2-CE2 4.22Å; F27-F31 HydrophobicContact CE1-CB 4.44Å; F27-F31 AromaticContact CE1-CD2 3.96Å; F27-F31 HydrophobicContact CE1-CD2 3.96Å; F27-F31 HydrophobicContact CE1-CG 4.47Å; F27-F31 AromaticContact CE2-CD2 3.88Å; F27-F31 HydrophobicContact CE2-CD2 3.88Å; F27-F31 AromaticContact CE2-CE2 3.85Å; F27-F31 HydrophobicContact CE2-CE2 3.85Å; F27-F31 HydrophobicContact CG-CD2 4.3Å; F27-F31 AromaticContact CZ-CD2 3.79Å; F27-F31 HydrophobicContact CZ-CD2 3.79Å; F27-F31 HydrophobicContact CZ-CE2 4.11Å; F27-F31 HydrophobicContact CZ-CG 4.47Å; F27-F31 WeakPolarHBondContact O-CD2 3.49Å; F27-F31 PolarHBondContact O-N 3.47Å; F27-F31 VanDerWaalsContact O-N 3.11Å; F27-F44 HydrophobicContact CD1-CE1 4.34Å; F27-F44 AromaticContact CE1-CD1 3.86Å; F27-F44 HydrophobicContact CE1-CD1 3.86Å; F27-F44 AromaticContact CE1-CE1 3.6Å; F27-F44 HydrophobicContact CE1-CE1 3.6Å; F27-F44 HydrophobicContact CE1-CE2 4.45Å; F27-F44 HydrophobicContact CE1-CG 4.39Å; F27-F44 AromaticContact CE1-CZ 3.92Å; F27-F44 HydrophobicContact CE1-CZ 3.92Å
28	I	87.4	Confident	85.6	Confident	75 Å²	75	102.4 Å²	102.4	39%	0.385	52%	0.515	S	S	.	.	H	α-helix	trans	-66.5	-27.1	-177.1	-63.6	173	0	0	0	111.8	G24 D25 K30 F31	G24-I28 PolarHBondContact O-N 3.11Å; D25-I28 PolarHBondContact O-N 3.1Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 3.04Å; I28-F31 CarbonylContact C-O 3.58Å; I28-F31 CarbonylContact O-C 3.4Å; I28-F31 PolarHBondContact O-N 3.28Å
29	G	84.7	Confident	86.6	Confident	53 Å²	53	100.3 Å²	100.3	55%	0.546	51%	0.511	S	S	.	.	H	α-helix	trans	-67.4	-31.5	174.7	0	0	0	0	0	113.3	D25 F27	D25-G29 WeakPolarHBondContact O-CA 3.48Å; D25-G29 PolarHBondContact O-N 3.25Å; F27-G29 VanDerWaalsContact C-N 3.25Å; F27-G29 PolarHBondContact O-N 2.87Å
30	K	83.9	Confident	87	Confident	141 Å²	141	94.6 Å²	94.6	61%	0.613	49%	0.49	S	S	*	.	H	α-helix	trans	-86	-25	175.9	-172.8	171.2	-177.9	175.4	0	112.7	F27 I28 A47	F27-K30 PolarHBondContact O-N 2.93Å; F27-K30 VanDerWaalsContact O-N 3.12Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 3.04Å; K30-A47 VanDerWaalsContact O-CB 3.26Å; K30-A47 WeakPolarHBondContact O-CB 3.46Å; K30-A47 PolarHBondContact O-N 2.93Å
31	F	85.8	Confident	87.2	Confident	62 Å²	62	96.7 Å²	96.7	27%	0.272	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.5	-175.8	-62.5	-76.8	0	0	0	111.9	F27 I28 T33 F44 A45	F27-F31 HydrophobicContact CD1-CD2 4.22Å; F27-F31 HydrophobicContact CD2-CD2 4.13Å; F27-F31 HydrophobicContact CD2-CE2 4.22Å; F27-F31 HydrophobicContact CE1-CB 4.44Å; F27-F31 AromaticContact CE1-CD2 3.96Å; F27-F31 HydrophobicContact CE1-CD2 3.96Å; F27-F31 HydrophobicContact CE1-CG 4.47Å; F27-F31 AromaticContact CE2-CD2 3.88Å; F27-F31 HydrophobicContact CE2-CD2 3.88Å; F27-F31 AromaticContact CE2-CE2 3.85Å; F27-F31 HydrophobicContact CE2-CE2 3.85Å; F27-F31 HydrophobicContact CG-CD2 4.3Å; F27-F31 AromaticContact CZ-CD2 3.79Å; F27-F31 HydrophobicContact CZ-CD2 3.79Å; F27-F31 HydrophobicContact CZ-CE2 4.11Å; F27-F31 HydrophobicContact CZ-CG 4.47Å; F27-F31 WeakPolarHBondContact O-CD2 3.49Å; F27-F31 PolarHBondContact O-N 3.47Å; F27-F31 VanDerWaalsContact O-N 3.11Å; I28-F31 CarbonylContact C-O 3.58Å; I28-F31 CarbonylContact O-C 3.4Å; I28-F31 PolarHBondContact O-N 3.28Å; F31-T33 PolarHBondContact O-N 3.5Å; F31-T33 VanDerWaalsContact O-N 3.14Å; F31-T33 PolarHBondContact O-OG1 2.91Å; F31-F44 HydrophobicContact CB-CB 4.44Å; F31-F44 HydrophobicContact CB-CD1 4.27Å; F31-A45 CarbonylContact C-O 3.36Å; F31-A45 WeakPolarHBondContact CA-O 3.28Å
32	Y	87.3	Confident	87.3	Confident	122 Å²	122	90.1 Å²	90.1	48%	0.478	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	123.4	166.1	179.8	-104.3	0	0	0	108.9	V34 F44 A45	Y32-V34 HydrophobicContact CD1-CG2 4.09Å; Y32-V34 HydrophobicContact CE1-CG2 3.41Å; Y32-V34 VanDerWaalsContact CE1-CG2 3.41Å; Y32-F44 CarbonylContact O-C 3.58Å; Y32-F44 WeakPolarHBondContact O-CA 3.37Å; Y32-A45 PolarHBondContact N-O 2.79Å; Y32-A45 PolarHBondContact O-N 3.25Å
33	T	85.9	Confident	87.5	Confident	19 Å²	19	86 Å²	86	12%	0.117	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127	-170	-58.1	0	0	0	0	109.8	F31 F35 V42 G43 F44	F31-T33 PolarHBondContact O-N 3.5Å; F31-T33 VanDerWaalsContact O-N 3.14Å; F31-T33 PolarHBondContact O-OG1 2.91Å; T33-F35 HydrophobicContact CG2-CD2 4.22Å; T33-F35 HydrophobicContact CG2-CE1 4.15Å; T33-F35 HydrophobicContact CG2-CE2 3.59Å; T33-F35 HydrophobicContact CG2-CZ 3.55Å; T33-V42 HydrophobicContact CG2-CG1 3.63Å; T33-G43 CarbonylContact C-O 3.58Å; T33-G43 WeakPolarHBondContact CA-O 3.3Å; T33-F44 HydrophobicContact CG2-CD1 3.86Å; T33-F44 HydrophobicContact CG2-CE1 3.44Å; T33-F44 VanDerWaalsContact CG2-CE1 3.44Å; T33-F44 HydrophobicContact CG2-CZ 4.36Å; T33-F44 WeakPolarHBondContact OG1-CD1 3.37Å; T33-F44 WeakPolarHBondContact OG1-CE1 3.41Å
34	V	88.8	Confident	87.5	Confident	67 Å²	67	86.7 Å²	86.7	41%	0.406	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.7	175.4	179.1	0	0	0	0	109.1	Y32 D36 V42 G43	Y32-V34 HydrophobicContact CD1-CG2 4.09Å; Y32-V34 HydrophobicContact CE1-CG2 3.41Å; Y32-V34 VanDerWaalsContact CE1-CG2 3.41Å; V34-D36 HydrophobicContact CG1-CB 4.5Å; V34-V42 CarbonylContact O-C 3.59Å; V34-V42 VanDerWaalsContact O-CA 3.3Å; V34-V42 WeakPolarHBondContact O-CA 3.35Å; V34-G43 PolarHBondContact N-O 2.91Å; V34-G43 PolarHBondContact O-N 3.27Å
35	F	90.2	Very high	87.5	Confident	132 Å²	132	87.8 Å²	87.8	58%	0.579	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	98.2	172.4	-58.9	-89.6	0	0	0	109	T33 M37 V42	T33-F35 HydrophobicContact CG2-CD2 4.22Å; T33-F35 HydrophobicContact CG2-CE1 4.15Å; T33-F35 HydrophobicContact CG2-CE2 3.59Å; T33-F35 HydrophobicContact CG2-CZ 3.55Å; F35-M37 PolarHBondContact O-N 2.91Å; F35-V42 HydrophobicContact CD1-CG1 4.47Å; F35-V42 HydrophobicContact CD1-CG2 4.03Å; F35-V42 HydrophobicContact CE1-CG1 4.43Å; F35-V42 HydrophobicContact CE1-CG2 4.39Å
36	D	85.8	Confident	87.7	Confident	43 Å²	43	89.3 Å²	89.3	23%	0.23	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	90.5	-177.3	179.3	-4.2	0	0	0	109.4	V34 G38 K39 N40 R41	V34-D36 HydrophobicContact CG1-CB 4.5Å; D36-G38 VanDerWaalsContact C-N 3.29Å; D36-G38 PolarHBondContact O-N 2.86Å; D36-G38 PolarHBondContact OD1-N 2.96Å; D36-K39 PolarHBondContact O-N 2.82Å; D36-K39 PolarHBondContact OD1-N 3.13Å; D36-K39 VanDerWaalsContact OD1-N 3.11Å; D36-K39 WeakPolarHBondContact OD2-CD 3.46Å; D36-N40 WeakPolarHBondContact O-CA 3.5Å; D36-N40 PolarHBondContact O-N 3.3Å; D36-R41 HydrophobicContact CB-CG 3.87Å; D36-R41 PolarHBondContact N-O 2.88Å; D36-R41 PolarHBondContact O-N 3.2Å; D36-R41 IonicContact OD2-CZ 3.5Å; D36-R41 IonicContact OD2-NE 2.91Å; D36-R41 PolarHBondContact OD2-NE 3.14Å; D36-R41 IonicContact OD2-NH2 3.19Å; D36-R41 PolarHBondContact OD2-NH2 2.89Å
37	M	87.9	Confident	87.7	Confident	115 Å²	115	85.2 Å²	85.2	57%	0.567	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-68.3	-27.5	179.4	-61.8	-58.4	-65	0	0	112.6	F35 K39 N40	F35-M37 PolarHBondContact O-N 2.91Å; M37-K39 VanDerWaalsContact C-N 3.27Å; M37-K39 PolarHBondContact O-N 3.43Å; M37-N40 PolarHBondContact O-N 2.77Å; M37-N40 PolarHBondContact O-OD1 2.84Å
38	G	89	Confident	87.3	Confident	74 Å²	74	87.7 Å²	87.7	76%	0.763	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-68	-29.5	179.4	0	0	0	0	0	112.7	D36	D36-G38 VanDerWaalsContact C-N 3.29Å; D36-G38 PolarHBondContact O-N 2.86Å; D36-G38 PolarHBondContact OD1-N 2.96Å
39	K	90.1	Very high	86.7	Confident	139 Å²	139	88.9 Å²	88.9	60%	0.604	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-113.8	11.4	177.5	-62.3	178.8	-179.1	175.3	0	113.7	D36 M37 R41	D36-K39 PolarHBondContact O-N 2.82Å; D36-K39 PolarHBondContact OD1-N 3.13Å; D36-K39 VanDerWaalsContact OD1-N 3.11Å; D36-K39 WeakPolarHBondContact OD2-CD 3.46Å; M37-K39 VanDerWaalsContact C-N 3.27Å; M37-K39 PolarHBondContact O-N 3.43Å; K39-R41 VanDerWaalsContact C-N 3.32Å; K39-R41 HydrophobicContact CB-CG 4Å; K39-R41 PolarHBondContact O-N 2.78Å
40	N	86.4	Confident	85.8	Confident	95 Å²	95	91.6 Å²	91.6	51%	0.508	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	49.9	-178.6	-64.5	-41.5	0	0	0	113.7	D36 M37	D36-N40 WeakPolarHBondContact O-CA 3.5Å; D36-N40 PolarHBondContact O-N 3.3Å; M37-N40 PolarHBondContact O-N 2.77Å; M37-N40 PolarHBondContact O-OD1 2.84Å
41	R	88.7	Confident	84.9	Confident	140 Å²	140	91.6 Å²	91.6	53%	0.528	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.6	-176.3	65.8	-173.1	-179.2	156.2	8.7	112.8	D36 K39	D36-R41 HydrophobicContact CB-CG 3.87Å; D36-R41 PolarHBondContact N-O 2.88Å; D36-R41 PolarHBondContact O-N 3.2Å; D36-R41 IonicContact OD2-CZ 3.5Å; D36-R41 IonicContact OD2-NE 2.91Å; D36-R41 PolarHBondContact OD2-NE 3.14Å; D36-R41 IonicContact OD2-NH2 3.19Å; D36-R41 PolarHBondContact OD2-NH2 2.89Å; K39-R41 VanDerWaalsContact C-N 3.32Å; K39-R41 HydrophobicContact CB-CG 4Å; K39-R41 PolarHBondContact O-N 2.78Å
42	V	89.1	Confident	83.6	Confident	75 Å²	75	92.1 Å²	92.1	46%	0.455	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.9	171.7	-176.3	0	0	0	0	108.6	T33 V34 F35 F44	T33-V42 HydrophobicContact CG2-CG1 3.63Å; V34-V42 CarbonylContact O-C 3.59Å; V34-V42 VanDerWaalsContact O-CA 3.3Å; V34-V42 WeakPolarHBondContact O-CA 3.35Å; F35-V42 HydrophobicContact CD1-CG1 4.47Å; F35-V42 HydrophobicContact CD1-CG2 4.03Å; F35-V42 HydrophobicContact CE1-CG1 4.43Å; F35-V42 HydrophobicContact CE1-CG2 4.39Å; V42-F44 HydrophobicContact CB-CZ 4.46Å; V42-F44 HydrophobicContact CG1-CE1 3.82Å; V42-F44 HydrophobicContact CG1-CE2 3.97Å; V42-F44 HydrophobicContact CG1-CZ 3.49Å; V42-F44 VanDerWaalsContact CG1-CZ 3.49Å
43	G	88.7	Confident	82.2	Confident	32 Å²	32	89.5 Å²	89.5	33%	0.33	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144	175.7	0	0	0	0	0	111.3	T33 V34	T33-G43 CarbonylContact C-O 3.58Å; T33-G43 WeakPolarHBondContact CA-O 3.3Å; V34-G43 PolarHBondContact N-O 2.91Å; V34-G43 PolarHBondContact O-N 3.27Å
44	F	90.6	Very high	80.8	Confident	104 Å²	104	98.3 Å²	98.3	46%	0.456	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.3	177.2	-58.9	-70	0	0	0	110.9	F27 F31 Y32 T33 V42	F27-F44 HydrophobicContact CD1-CE1 4.34Å; F27-F44 AromaticContact CE1-CD1 3.86Å; F27-F44 HydrophobicContact CE1-CD1 3.86Å; F27-F44 AromaticContact CE1-CE1 3.6Å; F27-F44 HydrophobicContact CE1-CE1 3.6Å; F27-F44 HydrophobicContact CE1-CE2 4.45Å; F27-F44 HydrophobicContact CE1-CG 4.39Å; F27-F44 AromaticContact CE1-CZ 3.92Å; F27-F44 HydrophobicContact CE1-CZ 3.92Å; F31-F44 HydrophobicContact CB-CB 4.44Å; F31-F44 HydrophobicContact CB-CD1 4.27Å; Y32-F44 CarbonylContact O-C 3.58Å; Y32-F44 WeakPolarHBondContact O-CA 3.37Å; T33-F44 HydrophobicContact CG2-CD1 3.86Å; T33-F44 HydrophobicContact CG2-CE1 3.44Å; T33-F44 VanDerWaalsContact CG2-CE1 3.44Å; T33-F44 HydrophobicContact CG2-CZ 4.36Å; T33-F44 WeakPolarHBondContact OG1-CD1 3.37Å; T33-F44 WeakPolarHBondContact OG1-CE1 3.41Å; V42-F44 HydrophobicContact CB-CZ 4.46Å; V42-F44 HydrophobicContact CG1-CE1 3.82Å; V42-F44 HydrophobicContact CG1-CE2 3.97Å; V42-F44 HydrophobicContact CG1-CZ 3.49Å; V42-F44 VanDerWaalsContact CG1-CZ 3.49Å
45	A	88	Confident	79.2	Confident	51 Å²	51	105.4 Å²	105.4	42%	0.421	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.5	156.8	168.5	0	0	0	0	0	109.4	F31 Y32 A47	F31-A45 CarbonylContact C-O 3.36Å; F31-A45 WeakPolarHBondContact CA-O 3.28Å; Y32-A45 PolarHBondContact N-O 2.79Å; Y32-A45 PolarHBondContact O-N 3.25Å; A45-A47 PolarHBondContact O-N 2.77Å
46	K	88	Confident	77.5	Confident	163 Å²	163	104.4 Å²	104.4	71%	0.709	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-60.3	126.1	176	-175	178.1	178.1	-178.6	0	109.7
47	A	86.8	Confident	75.8	Confident	24 Å²	24	112.6 Å²	112.6	20%	0.198	59%	0.589	C	S	.	*			trans	-67.7	144.6	173.9	0	0	0	0	0	110.4	K30 A45 H49	K30-A47 VanDerWaalsContact O-CB 3.26Å; K30-A47 WeakPolarHBondContact O-CB 3.46Å; K30-A47 PolarHBondContact O-N 2.93Å; A45-A47 PolarHBondContact O-N 2.77Å; A47-H49 PolarHBondContact O-N 2.75Å
48	L	81.2	Confident	74.2	Confident	115 Å²	115	111.6 Å²	111.6	60%	0.602	59%	0.589	S	S	*	*			trans	-80.1	102.6	170	-62.9	179.9	0	0	0	108.1	I60	L48-I60 HydrophobicContact CD1-CB 4.36Å; L48-I60 HydrophobicContact CD1-CD1 3.44Å; L48-I60 VanDerWaalsContact CD1-CD1 3.44Å; L48-I60 HydrophobicContact CD1-CG1 3.8Å
49	H	74.1	Confident	72.6	Confident	101 Å²	101	117.7 Å²	117.7	47%	0.468	59%	0.59	S	S	.	*			trans	-90.6	136	171.8	-148.4	70	0	0	0	109.6	A47 D51 S52	A47-H49 PolarHBondContact O-N 2.75Å; H49-D51 IonicContact CD2-OD2 3.65Å; H49-D51 IonicContact NE2-OD2 3.73Å; H49-D51 PolarHBondContact O-N 3.03Å; H49-D51 VanDerWaalsContact O-N 3.1Å; H49-S52 WeakPolarHBondContact CB-OG 3.4Å; H49-S52 WeakPolarHBondContact O-CB 3.2Å; H49-S52 PolarHBondContact O-N 3.04Å
50	P	64.7	Low	71	Confident	109 Å²	109	116.6 Å²	116.6	71%	0.708	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-52.3	-34.5	179.1	-25.7	33.8	0	0	0	112.9	S52	P50-S52 VanDerWaalsContact C-N 3.33Å; P50-S52 PolarHBondContact O-N 3.22Å
51	D	66.7	Low	69.4	Low	142 Å²	142	115.4 Å²	115.4	76%	0.759	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-84	-7.8	-175.6	-50	-24.9	0	0	0	113.4	H49 V53	H49-D51 IonicContact CD2-OD2 3.65Å; H49-D51 IonicContact NE2-OD2 3.73Å; H49-D51 PolarHBondContact O-N 3.03Å; H49-D51 VanDerWaalsContact O-N 3.1Å; D51-V53 VanDerWaalsContact C-N 3.34Å
52	S	58.8	Low	67.7	Low	73 Å²	73	115.8 Å²	115.8	51%	0.51	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-86.8	-3.4	-178.6	-59.5	0	0	0	0	113.9	H49 P50	H49-S52 WeakPolarHBondContact CB-OG 3.4Å; H49-S52 WeakPolarHBondContact O-CB 3.2Å; H49-S52 PolarHBondContact O-N 3.04Å; P50-S52 VanDerWaalsContact C-N 3.33Å; P50-S52 PolarHBondContact O-N 3.22Å
53	V	56.7	Low	66.3	Low	66 Å²	66	119.8 Å²	119.8	40%	0.4	61%	0.613	S	S	.	*			trans	-132.5	86.1	-166.1	-174.7	0	0	0	0	110.7	D51 R55	D51-V53 VanDerWaalsContact C-N 3.34Å; V53-R55 WeakPolarHBondContact CG1-O 3.36Å; V53-R55 PolarHBondContact O-N 3.14Å; V53-R55 VanDerWaalsContact O-N 3.08Å
54	H	56.7	Low	64.5	Low	205 Å²	205	128.8 Å²	128.8	95%	0.949	64%	0.637	S	S	*	*	S	Bend	trans	-71.6	22.4	159.5	-114.5	11.6	0	0	0	113.1
55	R	54.7	Low	62.6	Low	216 Å²	216	131.4 Å²	131.4	82%	0.815	66%	0.655	S	S	*	*	S	Bend	trans	-157.8	98.9	-178.6	-129.4	-177.8	-93.9	-160.9	-4.4	111.9	V53	V53-R55 WeakPolarHBondContact CG1-O 3.36Å; V53-R55 PolarHBondContact O-N 3.14Å; V53-R55 VanDerWaalsContact O-N 3.08Å
56	T	55.8	Low	61.1	Low	111 Å²	111	137.7 Å²	137.7	68%	0.681	67%	0.673	S	S	*	*			trans	84.9	107.5	171.2	-27.8	0	0	0	0	115.6	T58	T56-T58 PolarHBondContact O-N 3.07Å
57	K	48.9	Very low	59.2	Low	215 Å²	215	135.3 Å²	135.3	94%	0.935	67%	0.674	S	S	*	*			trans	-61.9	92.6	163.9	-77.6	179.2	175.8	176.9	0	109.2
58	T	55.3	Low	57.6	Low	93 Å²	93	139 Å²	139	57%	0.571	70%	0.704	S	S	*	*			trans	-108.4	92.8	159.8	-48.9	0	0	0	0	107.1	T56 I60	T56-T58 PolarHBondContact O-N 3.07Å; T58-I60 HydrophobicContact CG2-CG1 4.09Å; T58-I60 PolarHBondContact O-N 3.39Å
59	Y	54.4	Low	56.9	Low	202 Å²	202	142 Å²	142	79%	0.792	72%	0.715	S	S	*	*			trans	-66.2	98.7	166	-176.1	-98.9	0	0	0	106.9	P61	Y59-P61 HydrophobicContact CD1-CB 4.26Å; Y59-P61 HydrophobicContact CE1-CB 3.73Å; Y59-P61 HydrophobicContact CE1-CG 4.4Å; Y59-P61 VanDerWaalsContact O-CD 3.23Å; Y59-P61 WeakPolarHBondContact O-CD 3.34Å
60	I	56.7	Low	55.9	Low	116 Å²	116	142.6 Å²	142.6	60%	0.595	73%	0.731	S	S	*	*			trans	-85.3	105	162.3	-53.3	-173	0	0	0	104.3	L48 T58 M62	L48-I60 HydrophobicContact CD1-CB 4.36Å; L48-I60 HydrophobicContact CD1-CD1 3.44Å; L48-I60 VanDerWaalsContact CD1-CD1 3.44Å; L48-I60 HydrophobicContact CD1-CG1 3.8Å; T58-I60 HydrophobicContact CG2-CG1 4.09Å; T58-I60 PolarHBondContact O-N 3.39Å; I60-M62 PolarHBondContact O-N 2.81Å
61	P	52.8	Low	55.6	Low	71 Å²	71	142.2 Å²	142.2	46%	0.461	73%	0.727	S	S	.	*			trans	-55.4	136.8	172.5	22.8	-30	0	0	0	107.1	Y59 M63	Y59-P61 HydrophobicContact CD1-CB 4.26Å; Y59-P61 HydrophobicContact CE1-CB 3.73Å; Y59-P61 HydrophobicContact CE1-CG 4.4Å; Y59-P61 VanDerWaalsContact O-CD 3.23Å; Y59-P61 WeakPolarHBondContact O-CD 3.34Å; P61-M63 PolarHBondContact O-N 3.24Å
62	M	54	Low	55	Low	147 Å²	147	140 Å²	140	72%	0.724	72%	0.72	S	S	*	*			trans	-44.3	113.3	157.9	-85.9	-78.3	-77.7	0	0	106.1	I60 R64	I60-M62 PolarHBondContact O-N 2.81Å; M62-R64 PolarHBondContact O-N 3.21Å; M62-R64 VanDerWaalsContact O-N 3.1Å
63	M	59.1	Low	54.8	Low	159 Å²	159	145 Å²	145	78%	0.783	74%	0.735	S	S	*	*			trans	-50.5	127.8	174.4	-90.7	-179	171.5	0	0	105.9	P61 L65	P61-M63 PolarHBondContact O-N 3.24Å; M63-L65 PolarHBondContact O-N 3.32Å
64	R	50.6	Low	54.3	Low	222 Å²	222	146.4 Å²	146.4	84%	0.838	75%	0.754	S	S	*	*			trans	-50.6	117.4	173.3	-91.7	-174	168.5	170.7	-2.9	106.6	M62 F66	M62-R64 PolarHBondContact O-N 3.21Å; M62-R64 VanDerWaalsContact O-N 3.1Å; R64-F66 PolarHBondContact O-N 3.08Å
65	L	51.2	Low	53.8	Low	158 Å²	158	139.5 Å²	139.5	83%	0.827	73%	0.733	S	S	*	*			trans	-58.6	112.4	166.8	-69.2	169.3	0	0	0	105.4	M63	M63-L65 PolarHBondContact O-N 3.32Å
66	F	57.2	Low	53.7	Low	184 Å²	184	133.6 Å²	133.6	81%	0.807	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-67	139	169.2	-67.5	-80.3	0	0	0	107	R64 A68	R64-F66 PolarHBondContact O-N 3.08Å; F66-A68 PolarHBondContact O-N 2.97Å
67	P	48.1	Very low	53.6	Low	113 Å²	113	136.3 Å²	136.3	73%	0.734	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-50.2	137	172.4	-21.1	30.2	0	0	0	108.8	Q69	P67-Q69 PolarHBondContact O-N 3.11Å
68	A	51.9	Low	53.9	Low	101 Å²	101	129 Å²	129	84%	0.835	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-52.5	118	167.5	0	0	0	0	0	107.2	F66 S70	F66-A68 PolarHBondContact O-N 2.97Å; A68-S70 PolarHBondContact O-N 3.34Å
69	Q	65.8	Low	53.9	Low	177 Å²	177	128.9 Å²	128.9	83%	0.827	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-61.8	136.7	172.4	-69.3	-179	-19	0	0	107.3	P67 V71	P67-Q69 PolarHBondContact O-N 3.11Å; Q69-V71 PolarHBondContact O-N 3.4Å
70	S	54.9	Low	53.6	Low	115 Å²	115	127.7 Å²	127.7	80%	0.804	71%	0.711	S	S	*	*			trans	-57.2	107.2	172.2	54	0	0	0	0	108	A68	A68-S70 PolarHBondContact O-N 3.34Å
71	V	57.9	Low	53.5	Low	101 Å²	101	125.2 Å²	125.2	61%	0.612	71%	0.713	S	S	*	*			trans	-59.3	128.3	167	176.9	0	0	0	0	105.9	Q69 Q73 A75	Q69-V71 PolarHBondContact O-N 3.4Å; V71-Q73 PolarHBondContact O-N 3.12Å; V71-A75 HydrophobicContact CG1-CB 3.48Å; V71-A75 VanDerWaalsContact CG1-CB 3.48Å
72	P	54.3	Low	53.2	Low	96 Å²	96	123.4 Å²	123.4	62%	0.623	70%	0.701	S	S	*	*			trans	-49	131.1	173.4	-23.7	31.6	0	0	0	108	A74 A75	P72-A74 PolarHBondContact O-N 3.47Å; P72-A75 PolarHBondContact O-N 3.3Å
73	Q	54.9	Low	53.1	Low	176 Å²	176	122.4 Å²	122.4	82%	0.822	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-56.1	-16.6	-175.1	-159.9	167	-13.2	0	0	112.8	V71 A75 S76	V71-Q73 PolarHBondContact O-N 3.12Å; Q73-A75 VanDerWaalsContact C-N 3.34Å; Q73-S76 WeakPolarHBondContact O-CB 3.19Å; Q73-S76 PolarHBondContact O-N 2.74Å; Q73-S76 PolarHBondContact O-OG 3.46Å
74	A	44.6	Very low	52.7	Low	97 Å²	97	116.2 Å²	116.2	80%	0.802	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-71.6	-14	170.8	0	0	0	0	0	115.7	P72	P72-A74 PolarHBondContact O-N 3.47Å
75	A	47.5	Very low	52.7	Low	60 Å²	60	113.1 Å²	113.1	50%	0.496	66%	0.66	S	S	.	*	G	3₁₀ helix	trans	-99.3	18.7	170.2	0	0	0	0	0	112.1	V71 P72 Q73 E77	V71-A75 HydrophobicContact CG1-CB 3.48Å; V71-A75 VanDerWaalsContact CG1-CB 3.48Å; P72-A75 PolarHBondContact O-N 3.3Å; Q73-A75 VanDerWaalsContact C-N 3.34Å; A75-E77 PolarHBondContact O-N 2.99Å
76	S	52.5	Low	52.6	Low	91 Å²	91	109.5 Å²	109.5	64%	0.636	65%	0.647	S	S	*	*			trans	-75.6	-4.3	172.6	70.1	0	0	0	0	114.1	Q73 T78	Q73-S76 WeakPolarHBondContact O-CB 3.19Å; Q73-S76 PolarHBondContact O-N 2.74Å; Q73-S76 PolarHBondContact O-OG 3.46Å; S76-T78 PolarHBondContact O-N 3.42Å; S76-T78 VanDerWaalsContact O-N 3.1Å
77	E	53.3	Low	52.1	Low	169 Å²	169	106.1 Å²	106.1	79%	0.79	63%	0.633	S	S	*	*	S	Bend	trans	-74.7	96.4	161.5	-73.4	-175	174.8	0	0	108.2	A75 P79	A75-E77 PolarHBondContact O-N 2.99Å; E77-P79 WeakPolarHBondContact O-CD 3.07Å; E77-P79 VanDerWaalsContact O-N 3.15Å
78	T	55.2	Low	52.2	Low	62 Å²	62	105.6 Å²	105.6	38%	0.38	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-51.2	121.3	162.8	42.9	0	0	0	0	107.6	S76 N80 V82	S76-T78 PolarHBondContact O-N 3.42Å; S76-T78 VanDerWaalsContact O-N 3.1Å; T78-N80 PolarHBondContact O-N 3.32Å; T78-V82 VanDerWaalsContact CB-O 3.28Å; T78-V82 WeakPolarHBondContact CB-O 3.22Å; T78-V82 WeakPolarHBondContact CG2-O 3.34Å
79	P	54.1	Low	52.3	Low	89 Å²	89	106.4 Å²	106.4	58%	0.578	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-50.3	139.7	173.3	-23.3	30.9	0	0	0	108.8	E77 G81 V82	E77-P79 WeakPolarHBondContact O-CD 3.07Å; E77-P79 VanDerWaalsContact O-N 3.15Å; P79-G81 PolarHBondContact O-N 2.94Å; P79-V82 HydrophobicContact CB-CG2 3.92Å; P79-V82 HydrophobicContact CG-CG2 4.07Å; P79-V82 WeakPolarHBondContact O-CB 3.26Å; P79-V82 WeakPolarHBondContact O-CG2 2.89Å; P79-V82 PolarHBondContact O-N 2.99Å
80	N	48.5	Very low	51.7	Low	178 Å²	178	101.9 Å²	101.9	95%	0.952	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.4	117.6	179.5	-71.8	-37.3	0	0	0	109.9	T78	T78-N80 PolarHBondContact O-N 3.32Å
81	G	55.1	Low	51.5	Low	63 Å²	63	101.8 Å²	101.8	65%	0.649	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	100.5	1.2	-175.9	0	0	0	0	0	116.5	P79	P79-G81 PolarHBondContact O-N 2.94Å
82	V	46.9	Very low	50.9	Low	33 Å²	33	100.3 Å²	100.3	20%	0.2	58%	0.577	C	S	.	*			trans	-101.6	114.7	175.2	-176.4	0	0	0	0	110.5	T78 P79	T78-V82 VanDerWaalsContact CB-O 3.28Å; T78-V82 WeakPolarHBondContact CB-O 3.22Å; T78-V82 WeakPolarHBondContact CG2-O 3.34Å; P79-V82 HydrophobicContact CB-CG2 3.92Å; P79-V82 HydrophobicContact CG-CG2 4.07Å; P79-V82 WeakPolarHBondContact O-CB 3.26Å; P79-V82 WeakPolarHBondContact O-CG2 2.89Å; P79-V82 PolarHBondContact O-N 2.99Å
83	F	52.6	Low	50.4	Low	127 Å²	127	104.6 Å²	104.6	56%	0.557	60%	0.602	S	S	*	*			trans	-102.2	120	177.5	-63.6	-86.7	0	0	0	110.5	L88	F83-L88 HydrophobicContact CB-CD1 4.06Å; F83-L88 HydrophobicContact CB-CG 3.97Å
84	A	49	Very low	50.2	Low	28 Å²	28	101.1 Å²	101.1	23%	0.231	59%	0.591	C	S	.	*			trans	-65.3	139.2	168.4	0	0	0	0	0	109.6	S86 K87 L88	A84-S86 PolarHBondContact O-N 3.46Å; A84-S86 VanDerWaalsContact O-N 3.13Å; A84-K87 HydrophobicContact CB-CB 4.36Å; A84-K87 HydrophobicContact CB-CG 4.34Å; A84-K87 WeakPolarHBondContact O-CA 3.42Å; A84-K87 PolarHBondContact O-N 3Å; A84-L88 PolarHBondContact O-N 3.1Å
85	F	50.4	Low	50.5	Low	158 Å²	158	101.3 Å²	101.3	69%	0.693	58%	0.579	S	S	*	*	H	α-helix	trans	-56.3	-30.9	178.1	-170	-100	0	0	0	112.4	L89	F85-L89 HydrophobicContact CD1-CD1 4.23Å; F85-L89 HydrophobicContact CE1-CD1 3.87Å; F85-L89 HydrophobicContact CZ-CD1 4.4Å
86	S	49.8	Very low	50.6	Low	81 Å²	81	103.6 Å²	103.6	57%	0.566	58%	0.584	S	S	*	*	H	α-helix	trans	-67.9	-32.2	172.1	53.2	0	0	0	0	113.7	A84 S90	A84-S86 PolarHBondContact O-N 3.46Å; A84-S86 VanDerWaalsContact O-N 3.13Å; S86-S90 WeakPolarHBondContact O-CB 3.25Å; S86-S90 PolarHBondContact O-N 3.1Å; S86-S90 PolarHBondContact O-OG 3.3Å
87	K	47.7	Very low	50.5	Low	114 Å²	114	104.3 Å²	104.3	50%	0.496	58%	0.581	S	S	.	*	H	α-helix	trans	-82.3	-29.3	176.3	-71.3	-162.3	176.9	-176.7	0	112.9	A84 L89 S90 D91	A84-K87 HydrophobicContact CB-CB 4.36Å; A84-K87 HydrophobicContact CB-CG 4.34Å; A84-K87 WeakPolarHBondContact O-CA 3.42Å; A84-K87 PolarHBondContact O-N 3Å; K87-L89 PolarHBondContact O-N 2.86Å; K87-S90 PolarHBondContact O-N 3.08Å; K87-S90 VanDerWaalsContact O-N 3.07Å; K87-D91 PolarHBondContact O-N 3.02Å; K87-D91 VanDerWaalsContact O-N 3.14Å
88	L	50	Low	50.3	Low	102 Å²	102	100.3 Å²	100.3	53%	0.534	57%	0.568	S	S	.	*	H	α-helix	trans	-60.5	-25.9	170.3	-89.9	158.1	0	0	0	113.4	F83 A84	F83-L88 HydrophobicContact CB-CD1 4.06Å; F83-L88 HydrophobicContact CB-CG 3.97Å; A84-L88 PolarHBondContact O-N 3.1Å
89	L	52.6	Low	50	Low	118 Å²	118	102.8 Å²	102.8	62%	0.618	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-12.7	175.7	-75.5	160.4	0	0	0	113.3	F85 K87	F85-L89 HydrophobicContact CD1-CD1 4.23Å; F85-L89 HydrophobicContact CE1-CD1 3.87Å; F85-L89 HydrophobicContact CZ-CD1 4.4Å; K87-L89 PolarHBondContact O-N 2.86Å
90	S	54.5	Low	49.7	Very low	82 Å²	82	103.8 Å²	103.8	57%	0.573	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-13.7	-176.5	-59.1	0	0	0	0	113.9	S86 K87 E92	S86-S90 WeakPolarHBondContact O-CB 3.25Å; S86-S90 PolarHBondContact O-N 3.1Å; S86-S90 PolarHBondContact O-OG 3.3Å; K87-S90 PolarHBondContact O-N 3.08Å; K87-S90 VanDerWaalsContact O-N 3.07Å; S90-E92 PolarHBondContact O-N 3.06Å
91	D	49.8	Very low	49.8	Very low	112 Å²	112	98.1 Å²	98.1	60%	0.599	55%	0.552	S	S	*	*	S	Bend	trans	-81.7	18.5	171.2	-69.8	-23.4	0	0	0	112.6	K17 K87	K17-D91 PolarHBondContact NZ-O 3.12Å; K87-D91 PolarHBondContact O-N 3.02Å; K87-D91 VanDerWaalsContact O-N 3.14Å
92	E	45.7	Very low	49.4	Very low	70 Å²	70	101 Å²	101	33%	0.327	54%	0.544	S	S	.	.			trans	-111	52.1	177.1	-160.6	126.9	-150.5	0	0	112	P16 K17 S90	P16-E92 WeakPolarHBondContact CB-OE1 3.5Å; P16-E92 HydrophobicContact CG-CG 4.16Å; P16-E92 WeakPolarHBondContact CG-OE1 3.4Å; K17-E92 WeakPolarHBondContact CB-OE1 3.43Å; K17-E92 HydrophobicContact CD-CG 3.95Å; K17-E92 VanDerWaalsContact CD-OE1 3.25Å; K17-E92 WeakPolarHBondContact CD-OE1 3.23Å; K17-E92 WeakPolarHBondContact CG-OE1 3.44Å; S90-E92 PolarHBondContact O-N 3.06Å
93	V	43.9	Very low	49.6	Very low	187 Å²	187	107.2 Å²	107.2	100%	1.133	58%	0.575	S	S	*	*			trans	-111.9	0	150.9	180	0	0	0	0	108.7	K17	K17-V93 PolarHBondContact NZ-O 3.47Å

Retrieved 93 of 93 residues in 154.6 ms (Link to these results)

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