G4V9S8_SCHMA Loading...

Smp_200790

AlphaFold DB , UniProt , Accession G4V9S8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 82 aa.

						>G4V9S8_SCHMA|G4V9S8
MLATTLKWDNYDSMHLFFMLNAGVHISNTNWQEKGFRKSDFHHRFHHNIFCSFSAHCNAVNVKFENKLQHCLKITLKSAYPL
					

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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	31.3	Very low	36.1	Very low	237 Å²	237	145.5 Å²	145.5	100%	1.167	75%	0.747	S	S	*	*				0	110.1	0	-140.5	178	-175	0	0	106.1
2	L	31.3	Very low	37.5	Very low	132 Å²	132	139.3 Å²	139.3	69%	0.691	72%	0.717	S	S	*	*			cis	-126.4	127	-2.1	-81.9	90.8	0	0	0	108.5	T4	L2-T4 VanDerWaalsContact C-N 3.3Å; L2-T4 WeakPolarHBondContact CD2-OG1 3.48Å; L2-T4 PolarHBondContact O-N 3.03Å
3	A	30.7	Very low	38.5	Very low	108 Å²	108	133.6 Å²	133.6	89%	0.893	70%	0.697	S	S	*	*			trans	-90.9	57.8	169.1	0	0	0	0	0	110.5
4	T	33.8	Very low	39.5	Very low	106 Å²	106	131.7 Å²	131.7	65%	0.65	68%	0.684	S	S	*	*			trans	-134.6	23.5	-178.1	48.4	0	0	0	0	113.3	L2	L2-T4 VanDerWaalsContact C-N 3.3Å; L2-T4 WeakPolarHBondContact CD2-OG1 3.48Å; L2-T4 PolarHBondContact O-N 3.03Å
5	T	29.4	Very low	40.5	Very low	122 Å²	122	127.9 Å²	127.9	75%	0.748	66%	0.662	S	S	*	*	S	Bend	trans	-77.2	120.1	168.3	-23.7	0	0	0	0	108.5
6	L	33	Very low	41.4	Very low	134 Å²	134	121.1 Å²	121.1	70%	0.702	63%	0.627	S	S	*	*	S	Bend	trans	69.4	77.1	170.6	-72.8	89.8	0	0	0	118.4
7	K	34.4	Very low	42.3	Very low	192 Å²	192	119.8 Å²	119.8	84%	0.835	62%	0.615	S	S	*	*	S	Bend	trans	-125.9	13.2	146.9	-91.1	-171.5	179.2	179.3	0	114
8	W	38.9	Very low	43.1	Very low	192 Å²	192	120.2 Å²	120.2	73%	0.727	61%	0.612	S	S	*	*	S	Bend	trans	-97.6	-25.8	-173.9	-75.4	79.3	0	0	0	115.2	N10 Y11	W8-N10 VanDerWaalsContact C-N 3.31Å; W8-N10 PolarHBondContact O-N 3.32Å; W8-Y11 PolarHBondContact O-N 2.99Å
9	D	46.2	Very low	43.8	Very low	96 Å²	96	117.9 Å²	117.9	51%	0.513	60%	0.6	S	S	.	*	H	α-helix	trans	-68.2	-26.7	-177.4	-83.1	-53.4	0	0	0	114.4	S13 K67	D9-S13 PolarHBondContact O-OG 3.3Å; D9-K67 IonicContact OD1-NZ 3.94Å
10	N	45.4	Very low	44.6	Very low	132 Å²	132	112.3 Å²	112.3	71%	0.706	57%	0.571	S	S	*	*	H	α-helix	trans	-89.4	-27	179.6	-78	-11	0	0	0	113.5	W8 M14	W8-N10 VanDerWaalsContact C-N 3.31Å; W8-N10 PolarHBondContact O-N 3.32Å; N10-M14 WeakPolarHBondContact O-CB 3.21Å; N10-M14 WeakPolarHBondContact O-CG 3.39Å; N10-M14 PolarHBondContact O-N 3.04Å
11	Y	43	Very low	45.3	Very low	150 Å²	150	110 Å²	110	59%	0.588	56%	0.56	S	S	*	*	H	α-helix	trans	-76.2	-44.1	-173.9	-157.5	-101.9	0	0	0	111.5	W8 M14 H15	W8-Y11 PolarHBondContact O-N 2.99Å; Y11-M14 PolarHBondContact O-N 3.23Å; Y11-H15 AromaticContact CD1-CE1 3.5Å; Y11-H15 VanDerWaalsContact CD1-CE1 3.5Å; Y11-H15 WeakPolarHBondContact CD1-CE1 3.42Å; Y11-H15 AromaticContact CD1-ND1 3.51Å; Y11-H15 AromaticContact CE1-CE1 3.03Å; Y11-H15 WeakPolarHBondContact CE1-CE1 3.4Å; Y11-H15 AromaticContact CE1-ND1 3.55Å; Y11-H15 AromaticContact CE1-NE2 3.63Å; Y11-H15 AromaticContact CE2-CE1 3.62Å; Y11-H15 AromaticContact CG-CE1 3.98Å; Y11-H15 AromaticContact CG-ND1 3.93Å; Y11-H15 AromaticContact CZ-CE1 3.11Å; Y11-H15 AromaticContact CZ-ND1 3.98Å; Y11-H15 AromaticContact CZ-NE2 3.76Å; Y11-H15 PolarHBondContact O-N 3.41Å; Y11-H15 PolarHBondContact O-ND1 2.95Å; Y11-H15 PolarHBondContact OH-CE1 3.39Å
12	D	53.2	Low	46.7	Very low	71 Å²	71	101 Å²	101	38%	0.38	52%	0.524	S	S	.	.	H	α-helix	trans	-66.3	-40.1	178.9	-70.1	-18	0	0	0	111.8	M14 H15 L16	D12-M14 PolarHBondContact O-N 3.39Å; D12-H15 PolarHBondContact O-N 3Å; D12-L16 VanDerWaalsContact O-CB 3.28Å; D12-L16 WeakPolarHBondContact O-CB 3.46Å; D12-L16 PolarHBondContact O-N 3.45Å
13	S	50.2	Low	48.1	Very low	65 Å²	65	95.2 Å²	95.2	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-65.2	-39.7	178.8	-52.1	0	0	0	0	112.3	D9 F17	D9-S13 PolarHBondContact O-OG 3.3Å; S13-F17 WeakPolarHBondContact O-CB 3.2Å; S13-F17 PolarHBondContact O-N 3.18Å
14	M	51.7	Low	49.5	Very low	107 Å²	107	92 Å²	92	53%	0.527	47%	0.465	S	S	.	.	H	α-helix	trans	-70.4	-42.1	176.6	-72.4	-70.1	-107.1	0	0	111.6	N10 Y11 D12 L16 F17 F18	N10-M14 WeakPolarHBondContact O-CB 3.21Å; N10-M14 WeakPolarHBondContact O-CG 3.39Å; N10-M14 PolarHBondContact O-N 3.04Å; Y11-M14 PolarHBondContact O-N 3.23Å; D12-M14 PolarHBondContact O-N 3.39Å; M14-L16 VanDerWaalsContact C-N 3.3Å; M14-L16 PolarHBondContact O-N 3.18Å; M14-F17 WeakPolarHBondContact O-CB 3.29Å; M14-F17 PolarHBondContact O-N 2.86Å; M14-F18 WeakPolarHBondContact O-CD2 3.37Å; M14-F18 PolarHBondContact O-N 3.07Å
15	H	55.4	Low	50.7	Low	74 Å²	74	93 Å²	93	34%	0.343	46%	0.462	S	S	.	.	H	α-helix	trans	-61.4	-42.2	175.4	-79.8	69.4	0	0	0	111.5	Y11 D12 F17 F18 M19	Y11-H15 AromaticContact CD1-CE1 3.5Å; Y11-H15 VanDerWaalsContact CD1-CE1 3.5Å; Y11-H15 WeakPolarHBondContact CD1-CE1 3.42Å; Y11-H15 AromaticContact CD1-ND1 3.51Å; Y11-H15 AromaticContact CE1-CE1 3.03Å; Y11-H15 WeakPolarHBondContact CE1-CE1 3.4Å; Y11-H15 AromaticContact CE1-ND1 3.55Å; Y11-H15 AromaticContact CE1-NE2 3.63Å; Y11-H15 AromaticContact CE2-CE1 3.62Å; Y11-H15 AromaticContact CG-CE1 3.98Å; Y11-H15 AromaticContact CG-ND1 3.93Å; Y11-H15 AromaticContact CZ-CE1 3.11Å; Y11-H15 AromaticContact CZ-ND1 3.98Å; Y11-H15 AromaticContact CZ-NE2 3.76Å; Y11-H15 PolarHBondContact O-N 3.41Å; Y11-H15 PolarHBondContact O-ND1 2.95Å; Y11-H15 PolarHBondContact OH-CE1 3.39Å; D12-H15 PolarHBondContact O-N 3Å; H15-F17 VanDerWaalsContact C-N 3.34Å; H15-F17 PolarHBondContact O-N 3.16Å; H15-F18 PolarHBondContact O-N 3.09Å; H15-M19 WeakPolarHBondContact O-CG 3.46Å; H15-M19 PolarHBondContact O-N 2.66Å
16	L	55.1	Low	51.9	Low	19 Å²	19	91.4 Å²	91.4	10%	0.099	45%	0.448	C	S	.	.	H	α-helix	trans	-61.4	-43.7	175.4	-155.7	62.4	0	0	0	111.5	D12 M14 M19 L20 F53 C71	D12-L16 VanDerWaalsContact O-CB 3.28Å; D12-L16 WeakPolarHBondContact O-CB 3.46Å; D12-L16 PolarHBondContact O-N 3.45Å; M14-L16 VanDerWaalsContact C-N 3.3Å; M14-L16 PolarHBondContact O-N 3.18Å; L16-M19 PolarHBondContact O-N 2.79Å; L16-L20 HydrophobicContact CG-CD1 4.28Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 VanDerWaalsContact O-CD1 3.29Å; L16-L20 WeakPolarHBondContact O-CD1 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.32Å; L16-L20 PolarHBondContact O-N 3.37Å; L16-F53 HydrophobicContact CD1-CD1 3.9Å; L16-F53 HydrophobicContact CD1-CE1 3.19Å; L16-F53 HydrophobicContact CD1-CE2 4.01Å; L16-F53 HydrophobicContact CD1-CZ 3.25Å; L16-F53 HydrophobicContact CD2-CE1 4.18Å; L16-F53 HydrophobicContact CG-CE1 3.78Å; L16-F53 HydrophobicContact CG-CZ 3.71Å; L16-C71 HydrophobicContact CD2-CB 3.81Å; L16-C71 WeakPolarHBondContact CD2-SG 3.2Å; L16-C71 HydrophobicContact CG-CB 4.45Å
17	F	55.9	Low	52.9	Low	100 Å²	100	85.2 Å²	85.2	44%	0.439	42%	0.416	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175.2	179.7	-102.8	0	0	0	112.7	S13 M14 H15 L20 N21	S13-F17 WeakPolarHBondContact O-CB 3.2Å; S13-F17 PolarHBondContact O-N 3.18Å; M14-F17 WeakPolarHBondContact O-CB 3.29Å; M14-F17 PolarHBondContact O-N 2.86Å; H15-F17 VanDerWaalsContact C-N 3.34Å; H15-F17 PolarHBondContact O-N 3.16Å; F17-L20 PolarHBondContact O-N 3.41Å; F17-N21 WeakPolarHBondContact CD1-ND2 2.97Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.43Å; F17-N21 WeakPolarHBondContact CZ-ND2 3.46Å; F17-N21 WeakPolarHBondContact O-CB 3.06Å; F17-N21 PolarHBondContact O-N 2.93Å; F17-N21 PolarHBondContact O-ND2 3.43Å
18	F	57.2	Low	53.8	Low	127 Å²	127	79.7 Å²	79.7	56%	0.557	40%	0.396	S	S	*	.	H	α-helix	trans	-65.1	-41.8	175.8	-78.5	-66.3	0	0	0	112.3	M14 H15 L20 N21 A22	M14-F18 WeakPolarHBondContact O-CD2 3.37Å; M14-F18 PolarHBondContact O-N 3.07Å; H15-F18 PolarHBondContact O-N 3.09Å; F18-L20 VanDerWaalsContact C-N 3.33Å; F18-L20 PolarHBondContact O-N 2.82Å; F18-N21 PolarHBondContact O-N 2.89Å; F18-A22 WeakPolarHBondContact O-CB 3.29Å; F18-A22 PolarHBondContact O-N 3.34Å
19	M	56.7	Low	54.7	Low	76 Å²	76	73 Å²	73	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-41.4	175.4	-71.1	-178.9	-174.4	0	0	111.7	H15 L16 G23	H15-M19 WeakPolarHBondContact O-CG 3.46Å; H15-M19 PolarHBondContact O-N 2.66Å; L16-M19 PolarHBondContact O-N 2.79Å; M19-G23 PolarHBondContact O-N 3.07Å
20	L	60	Low	54.9	Low	5 Å²	5	70.8 Å²	70.8	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-64.3	-46.3	176.6	-71.8	159.8	0	0	0	111.3	L16 F17 F18 G23 V24 I49 F53 C71 T75	L16-L20 HydrophobicContact CG-CD1 4.28Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 VanDerWaalsContact O-CD1 3.29Å; L16-L20 WeakPolarHBondContact O-CD1 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.32Å; L16-L20 PolarHBondContact O-N 3.37Å; F17-L20 PolarHBondContact O-N 3.41Å; F18-L20 VanDerWaalsContact C-N 3.33Å; F18-L20 PolarHBondContact O-N 2.82Å; L20-G23 PolarHBondContact O-N 3.48Å; L20-V24 WeakPolarHBondContact O-CG2 3.06Å; L20-V24 PolarHBondContact O-N 2.86Å; L20-I49 HydrophobicContact CD2-CD1 3.63Å; L20-I49 HydrophobicContact CD2-CG1 4.08Å; L20-I49 HydrophobicContact CD2-CG2 3.82Å; L20-F53 HydrophobicContact CD1-CZ 3.89Å; L20-F53 HydrophobicContact CD2-CE2 3.8Å; L20-F53 HydrophobicContact CD2-CZ 3.53Å; L20-F53 HydrophobicContact CG-CE2 4Å; L20-F53 HydrophobicContact CG-CZ 3.62Å; L20-C71 HydrophobicContact CD1-CB 4.14Å; L20-T75 HydrophobicContact CB-CG2 4.43Å; L20-T75 WeakPolarHBondContact CD1-OG1 3.23Å; L20-T75 HydrophobicContact CD2-CG2 4.21Å
21	N	59	Low	55.1	Low	65 Å²	65	69.5 Å²	69.5	35%	0.348	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-40	177.4	-83.8	-33.1	0	0	0	113	F17 F18 G23 V24 H25	F17-N21 WeakPolarHBondContact CD1-ND2 2.97Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.43Å; F17-N21 WeakPolarHBondContact CZ-ND2 3.46Å; F17-N21 WeakPolarHBondContact O-CB 3.06Å; F17-N21 PolarHBondContact O-N 2.93Å; F17-N21 PolarHBondContact O-ND2 3.43Å; F18-N21 PolarHBondContact O-N 2.89Å; N21-G23 VanDerWaalsContact C-N 3.31Å; N21-G23 PolarHBondContact O-N 3.38Å; N21-V24 PolarHBondContact O-N 3.49Å; N21-H25 WeakPolarHBondContact O-CB 3.5Å; N21-H25 PolarHBondContact O-N 3.43Å
22	A	61.1	Low	55.7	Low	48 Å²	48	70.1 Å²	70.1	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-42.4	173.8	0	0	0	0	0	110.8	F18 V24 H25 I26	F18-A22 WeakPolarHBondContact O-CB 3.29Å; F18-A22 PolarHBondContact O-N 3.34Å; A22-V24 PolarHBondContact O-N 2.87Å; A22-H25 PolarHBondContact O-N 2.97Å; A22-I26 WeakPolarHBondContact O-CB 3.16Å; A22-I26 WeakPolarHBondContact O-CD1 3.36Å; A22-I26 WeakPolarHBondContact O-CG1 3.31Å; A22-I26 PolarHBondContact O-N 3.26Å
23	G	60.5	Low	55.7	Low	10 Å²	10	73.8 Å²	73.8	10%	0.103	37%	0.373	C	S	.	.	H	α-helix	trans	-59.9	-42.1	173.4	0	0	0	0	0	112.9	M19 L20 N21 S27	M19-G23 PolarHBondContact O-N 3.07Å; L20-G23 PolarHBondContact O-N 3.48Å; N21-G23 VanDerWaalsContact C-N 3.31Å; N21-G23 PolarHBondContact O-N 3.38Å; G23-S27 VanDerWaalsContact O-CB 3.23Å; G23-S27 WeakPolarHBondContact O-CB 3.31Å; G23-S27 PolarHBondContact O-N 2.94Å; G23-S27 PolarHBondContact O-OG 3.47Å
24	V	59.2	Low	56	Low	40 Å²	40	77 Å²	77	24%	0.242	38%	0.379	C	S	.	.	H	α-helix	trans	-65	-47.2	176.7	174	0	0	0	0	109.4	L20 N21 A22 S27 N28 F45 T75	L20-V24 WeakPolarHBondContact O-CG2 3.06Å; L20-V24 PolarHBondContact O-N 2.86Å; N21-V24 PolarHBondContact O-N 3.49Å; A22-V24 PolarHBondContact O-N 2.87Å; V24-S27 PolarHBondContact O-N 3.31Å; V24-N28 VanDerWaalsContact O-CB 3.29Å; V24-N28 WeakPolarHBondContact O-CB 3.34Å; V24-N28 PolarHBondContact O-N 2.86Å; V24-F45 HydrophobicContact CB-CE2 3.98Å; V24-F45 HydrophobicContact CG2-CD2 4.41Å; V24-F45 HydrophobicContact CG2-CE2 3.27Å; V24-F45 HydrophobicContact CG2-CZ 3.4Å; V24-F45 VanDerWaalsContact CG2-CZ 3.4Å; V24-T75 HydrophobicContact CG2-CG2 4.4Å
25	H	59.9	Low	56.2	Low	127 Å²	127	75.4 Å²	75.4	59%	0.588	39%	0.389	S	S	*	.	H	α-helix	trans	-62.6	-50	-177.9	-169.8	77.5	0	0	0	111.9	N21 A22 S27 N28 T29	N21-H25 WeakPolarHBondContact O-CB 3.5Å; N21-H25 PolarHBondContact O-N 3.43Å; A22-H25 PolarHBondContact O-N 2.97Å; H25-S27 VanDerWaalsContact C-N 3.25Å; H25-S27 PolarHBondContact O-N 3.5Å; H25-N28 PolarHBondContact O-N 3.25Å; H25-T29 WeakPolarHBondContact O-CG2 3.19Å; H25-T29 PolarHBondContact O-N 3.27Å; H25-T29 PolarHBondContact O-OG1 3.45Å
26	I	54.5	Low	56.2	Low	89 Å²	89	74.7 Å²	74.7	46%	0.456	39%	0.385	S	S	.	.	H	α-helix	trans	-61	-37.1	177	-66.9	165.3	0	0	0	111.1	A22 T29 N30	A22-I26 WeakPolarHBondContact O-CB 3.16Å; A22-I26 WeakPolarHBondContact O-CD1 3.36Å; A22-I26 WeakPolarHBondContact O-CG1 3.31Å; A22-I26 PolarHBondContact O-N 3.26Å; I26-T29 WeakPolarHBondContact CA-OG1 3.38Å; I26-T29 PolarHBondContact O-OG1 3.39Å; I26-N30 WeakPolarHBondContact O-CB 3.14Å; I26-N30 PolarHBondContact O-N 2.8Å; I26-N30 PolarHBondContact O-ND2 3.05Å
27	S	53.2	Low	56.4	Low	4 Å²	4	83.4 Å²	83.4	3%	0.028	42%	0.416	C	S	.	.	H	α-helix	trans	-69.8	-38.9	176.7	-56.6	0	0	0	0	110.5	G23 V24 H25 N30 W31 F41	G23-S27 VanDerWaalsContact O-CB 3.23Å; G23-S27 WeakPolarHBondContact O-CB 3.31Å; G23-S27 PolarHBondContact O-N 2.94Å; G23-S27 PolarHBondContact O-OG 3.47Å; V24-S27 PolarHBondContact O-N 3.31Å; H25-S27 VanDerWaalsContact C-N 3.25Å; H25-S27 PolarHBondContact O-N 3.5Å; S27-N30 PolarHBondContact O-N 2.76Å; S27-W31 PolarHBondContact O-N 2.99Å; S27-F41 VanDerWaalsContact O-CD2 3.29Å; S27-F41 WeakPolarHBondContact O-CD2 3.31Å; S27-F41 WeakPolarHBondContact O-CE2 3.2Å
28	N	53.4	Low	56.3	Low	77 Å²	77	84.1 Å²	84.1	41%	0.412	42%	0.419	S	S	.	.	H	α-helix	trans	-72.7	-38.2	-177.1	-155	21	0	0	0	111.9	V24 H25 W31 Q32	V24-N28 VanDerWaalsContact O-CB 3.29Å; V24-N28 WeakPolarHBondContact O-CB 3.34Å; V24-N28 PolarHBondContact O-N 2.86Å; H25-N28 PolarHBondContact O-N 3.25Å; N28-W31 WeakPolarHBondContact O-CA 3.03Å; N28-W31 WeakPolarHBondContact O-CB 3.5Å; N28-W31 PolarHBondContact O-N 3.43Å; N28-W31 VanDerWaalsContact O-N 3.09Å; N28-Q32 PolarHBondContact O-N 2.84Å
29	T	57.3	Low	56.3	Low	51 Å²	51	81.4 Å²	81.4	31%	0.313	42%	0.416	S	S	.	.	H	α-helix	trans	-63.4	-42.5	171.5	52.6	0	0	0	0	111.1	H25 I26 W31 Q32 E33	H25-T29 WeakPolarHBondContact O-CG2 3.19Å; H25-T29 PolarHBondContact O-N 3.27Å; H25-T29 PolarHBondContact O-OG1 3.45Å; I26-T29 WeakPolarHBondContact CA-OG1 3.38Å; I26-T29 PolarHBondContact O-OG1 3.39Å; T29-W31 PolarHBondContact O-N 3.01Å; T29-Q32 PolarHBondContact O-N 2.91Å; T29-E33 PolarHBondContact O-N 3.45Å
30	N	50.5	Low	56.3	Low	50 Å²	50	81 Å²	81	27%	0.267	42%	0.416	S	S	.	.	H	α-helix	trans	-63.8	-27.8	172.3	-81.5	-21.4	0	0	0	112.9	I26 S27 K34	I26-N30 WeakPolarHBondContact O-CB 3.14Å; I26-N30 PolarHBondContact O-N 2.8Å; I26-N30 PolarHBondContact O-ND2 3.05Å; S27-N30 PolarHBondContact O-N 2.76Å; N30-K34 PolarHBondContact O-N 3.39Å
31	W	50.6	Low	56	Low	105 Å²	105	82.2 Å²	82.2	40%	0.398	42%	0.421	S	S	.	.	H	α-helix	trans	-67.8	-45	175	-132.2	48.2	0	0	0	111.3	S27 N28 T29 G35 F36 K38 F41	S27-W31 PolarHBondContact O-N 2.99Å; N28-W31 WeakPolarHBondContact O-CA 3.03Å; N28-W31 WeakPolarHBondContact O-CB 3.5Å; N28-W31 PolarHBondContact O-N 3.43Å; N28-W31 VanDerWaalsContact O-N 3.09Å; T29-W31 PolarHBondContact O-N 3.01Å; W31-G35 PolarHBondContact O-N 2.84Å; W31-F36 PolarHBondContact NE1-O 3.44Å; W31-K38 HydrophobicContact CZ2-CB 3.95Å; W31-K38 HydrophobicContact CZ2-CG 4.1Å; W31-F41 HydrophobicContact CB-CD2 4.09Å; W31-F41 HydrophobicContact CB-CE2 4.32Å; W31-F41 VanDerWaalsContact CD1-CB 3.47Å; W31-F41 AromaticContact CD1-CD2 3.29Å; W31-F41 AromaticContact CD1-CG 3.66Å; W31-F41 HydrophobicContact CD2-CD2 4.4Å; W31-F41 AromaticContact CG-CD2 3.68Å; W31-F41 HydrophobicContact CG-CD2 3.68Å; W31-F41 HydrophobicContact CG-CE2 4.18Å; W31-F41 HydrophobicContact CG-CG 4.33Å; W31-F41 VanDerWaalsContact NE1-CB 3.28Å; W31-F41 AromaticContact NE1-CD2 3.82Å; W31-F41 AromaticContact NE1-CG 3.71Å
32	Q	55.8	Low	55.8	Low	163 Å²	163	82 Å²	82	76%	0.762	42%	0.418	S	S	*	.	H	α-helix	trans	-68.3	-37.1	177	-69.1	-168.9	-46.4	0	0	112.7	N28 T29	N28-Q32 PolarHBondContact O-N 2.84Å; T29-Q32 PolarHBondContact O-N 2.91Å
33	E	53.6	Low	55.7	Low	148 Å²	148	86.1 Å²	86.1	69%	0.692	43%	0.428	S	S	*	.	H	α-helix	trans	-78.6	-23.5	-175.7	-76.3	-170.4	153.5	0	0	114.6	T29	T29-E33 PolarHBondContact O-N 3.45Å
34	K	56.1	Low	55.3	Low	133 Å²	133	91.5 Å²	91.5	58%	0.578	45%	0.446	S	S	*	.	H	α-helix	trans	-134.1	6.3	-165.1	-69.3	-178.7	177.5	175.6	0	116.5	N30 F36	N30-K34 PolarHBondContact O-N 3.39Å; K34-F36 HydrophobicContact CB-CD2 3.33Å; K34-F36 HydrophobicContact CB-CE2 3.19Å; K34-F36 HydrophobicContact CB-CG 4.38Å; K34-F36 HydrophobicContact CB-CZ 4.13Å; K34-F36 HydrophobicContact CD-CD2 4.4Å; K34-F36 HydrophobicContact CD-CE2 3.47Å; K34-F36 VanDerWaalsContact CD-CE2 3.47Å; K34-F36 HydrophobicContact CD-CZ 4.13Å; K34-F36 HydrophobicContact CG-CD2 4.45Å; K34-F36 HydrophobicContact CG-CE2 3.92Å; K34-F36 PolarHBondContact O-N 2.84Å
35	G	55	Low	55.4	Low	72 Å²	72	89.9 Å²	89.9	74%	0.742	44%	0.435	S	S	*	.			trans	57.1	26.9	173.6	0	0	0	0	0	113.9	W31	W31-G35 PolarHBondContact O-N 2.84Å
36	F	56.2	Low	55.3	Low	60 Å²	60	88.1 Å²	88.1	26%	0.263	43%	0.427	S	S	.	.			trans	-65.2	136.8	-174.8	-82.4	-71.8	0	0	0	111.2	W31 K34 K38 D40	W31-F36 PolarHBondContact NE1-O 3.44Å; K34-F36 HydrophobicContact CB-CD2 3.33Å; K34-F36 HydrophobicContact CB-CE2 3.19Å; K34-F36 HydrophobicContact CB-CG 4.38Å; K34-F36 HydrophobicContact CB-CZ 4.13Å; K34-F36 HydrophobicContact CD-CD2 4.4Å; K34-F36 HydrophobicContact CD-CE2 3.47Å; K34-F36 VanDerWaalsContact CD-CE2 3.47Å; K34-F36 HydrophobicContact CD-CZ 4.13Å; K34-F36 HydrophobicContact CG-CD2 4.45Å; K34-F36 HydrophobicContact CG-CE2 3.92Å; K34-F36 PolarHBondContact O-N 2.84Å; F36-K38 PolarHBondContact O-N 3.47Å; F36-D40 HydrophobicContact CB-CB 4.42Å; F36-D40 HydrophobicContact CD1-CB 4.17Å
37	R	58.4	Low	55.4	Low	201 Å²	201	89 Å²	89	76%	0.758	43%	0.429	S	S	*	.			trans	-54.6	139.3	171.4	-71.5	-179.3	164.4	-168.7	-5.2	109.1	S39 D40 F41	R37-S39 PolarHBondContact O-N 2.97Å; R37-D40 PolarHBondContact O-N 3.42Å; R37-F41 PolarHBondContact O-N 3.28Å
38	K	54.6	Low	55.5	Low	116 Å²	116	92.1 Å²	92.1	50%	0.504	45%	0.445	S	S	.	.	H	α-helix	trans	-47.5	-32.5	-179.8	-168.5	176	179.4	179.4	0	113.6	W31 F36 F41 H42	W31-K38 HydrophobicContact CZ2-CB 3.95Å; W31-K38 HydrophobicContact CZ2-CG 4.1Å; F36-K38 PolarHBondContact O-N 3.47Å; K38-F41 PolarHBondContact O-N 3.48Å; K38-H42 PolarHBondContact O-N 3.02Å; K38-H42 VanDerWaalsContact O-N 3.07Å
39	S	56.7	Low	55.7	Low	70 Å²	70	89 Å²	89	49%	0.49	43%	0.428	S	S	.	.	H	α-helix	trans	-60	-41.9	175.1	53.2	0	0	0	0	113.6	R37 F41 H42 H43	R37-S39 PolarHBondContact O-N 2.97Å; S39-F41 VanDerWaalsContact C-N 3.34Å; S39-H42 PolarHBondContact O-N 2.98Å; S39-H43 PolarHBondContact O-N 2.8Å
40	D	57.1	Low	55.6	Low	68 Å²	68	93.4 Å²	93.4	36%	0.364	44%	0.443	S	S	.	.	H	α-helix	trans	-75.7	-31.2	-176.5	-60.5	-15.1	0	0	0	110.7	F36 R37 H43 R44	F36-D40 HydrophobicContact CB-CB 4.42Å; F36-D40 HydrophobicContact CD1-CB 4.17Å; R37-D40 PolarHBondContact O-N 3.42Å; D40-H43 PolarHBondContact O-N 2.93Å; D40-R44 WeakPolarHBondContact O-CB 3.42Å; D40-R44 VanDerWaalsContact O-CG 3.29Å; D40-R44 WeakPolarHBondContact O-CG 3.29Å; D40-R44 PolarHBondContact O-N 3.37Å
41	F	52.9	Low	55.6	Low	29 Å²	29	94.4 Å²	94.4	13%	0.127	45%	0.454	C	S	.	.	H	α-helix	trans	-64.8	-48.3	171.2	174.7	-85.4	0	0	0	111.3	S27 W31 R37 K38 S39 H43 R44 F45	S27-F41 VanDerWaalsContact O-CD2 3.29Å; S27-F41 WeakPolarHBondContact O-CD2 3.31Å; S27-F41 WeakPolarHBondContact O-CE2 3.2Å; W31-F41 HydrophobicContact CB-CD2 4.09Å; W31-F41 HydrophobicContact CB-CE2 4.32Å; W31-F41 VanDerWaalsContact CD1-CB 3.47Å; W31-F41 AromaticContact CD1-CD2 3.29Å; W31-F41 AromaticContact CD1-CG 3.66Å; W31-F41 HydrophobicContact CD2-CD2 4.4Å; W31-F41 AromaticContact CG-CD2 3.68Å; W31-F41 HydrophobicContact CG-CD2 3.68Å; W31-F41 HydrophobicContact CG-CE2 4.18Å; W31-F41 HydrophobicContact CG-CG 4.33Å; W31-F41 VanDerWaalsContact NE1-CB 3.28Å; W31-F41 AromaticContact NE1-CD2 3.82Å; W31-F41 AromaticContact NE1-CG 3.71Å; R37-F41 PolarHBondContact O-N 3.28Å; K38-F41 PolarHBondContact O-N 3.48Å; S39-F41 VanDerWaalsContact C-N 3.34Å; F41-H43 VanDerWaalsContact C-N 3.31Å; F41-H43 PolarHBondContact O-N 3.38Å; F41-R44 PolarHBondContact O-N 2.96Å; F41-F45 HydrophobicContact CE1-CB 4.47Å; F41-F45 WeakPolarHBondContact O-CB 3.05Å; F41-F45 PolarHBondContact O-N 2.78Å
42	H	56	Low	55.7	Low	62 Å²	62	92.6 Å²	92.6	29%	0.287	46%	0.457	S	S	.	.	H	α-helix	trans	-58.9	-45.8	175.4	-64.6	170	0	0	0	110.8	K38 S39 R44 F45 H46 Y80	K38-H42 PolarHBondContact O-N 3.02Å; K38-H42 VanDerWaalsContact O-N 3.07Å; S39-H42 PolarHBondContact O-N 2.98Å; H42-R44 PolarHBondContact O-N 3.02Å; H42-F45 PolarHBondContact O-N 3.41Å; H42-H46 WeakPolarHBondContact O-CB 3.45Å; H42-H46 PolarHBondContact O-CD2 3.48Å; H42-H46 VanDerWaalsContact O-CG 3.3Å; H42-H46 PolarHBondContact O-N 2.9Å; H42-Y80 PolarHBondContact CD2-OH 2.93Å; H42-Y80 AromaticContact NE2-CE1 3.82Å; H42-Y80 AromaticContact NE2-CZ 3.5Å; H42-Y80 PolarHBondContact NE2-OH 3.01Å
43	H	57.5	Low	55.4	Low	134 Å²	134	85.2 Å²	85.2	62%	0.62	42%	0.422	S	S	*	.	H	α-helix	trans	-61.8	-46.4	-179.2	-170.7	-91.3	0	0	0	111.9	S39 D40 F41 H47	S39-H43 PolarHBondContact O-N 2.8Å; D40-H43 PolarHBondContact O-N 2.93Å; F41-H43 VanDerWaalsContact C-N 3.31Å; F41-H43 PolarHBondContact O-N 3.38Å; H43-H47 WeakPolarHBondContact O-CB 3.28Å; H43-H47 PolarHBondContact O-N 3.21Å
44	R	53.6	Low	55.2	Low	123 Å²	123	80.7 Å²	80.7	46%	0.464	41%	0.407	S	S	.	.	H	α-helix	trans	-70.5	-38.3	179.2	-71.1	178.3	-177.2	-131.3	0.5	112.9	D40 F41 H42 H47 N48	D40-R44 WeakPolarHBondContact O-CB 3.42Å; D40-R44 VanDerWaalsContact O-CG 3.29Å; D40-R44 WeakPolarHBondContact O-CG 3.29Å; D40-R44 PolarHBondContact O-N 3.37Å; F41-R44 PolarHBondContact O-N 2.96Å; H42-R44 PolarHBondContact O-N 3.02Å; R44-H47 PolarHBondContact O-N 3Å; R44-N48 VanDerWaalsContact O-CB 3.31Å; R44-N48 WeakPolarHBondContact O-CB 3.17Å; R44-N48 PolarHBondContact O-N 2.84Å
45	F	59.6	Low	55	Low	5 Å²	5	77.8 Å²	77.8	2%	0.022	41%	0.408	C	S	.	.	H	α-helix	trans	-62.3	-50.3	175.3	177.6	-111.7	0	0	0	110.6	V24 F41 H42 H47 N48 I49 T75	V24-F45 HydrophobicContact CB-CE2 3.98Å; V24-F45 HydrophobicContact CG2-CD2 4.41Å; V24-F45 HydrophobicContact CG2-CE2 3.27Å; V24-F45 HydrophobicContact CG2-CZ 3.4Å; V24-F45 VanDerWaalsContact CG2-CZ 3.4Å; F41-F45 HydrophobicContact CE1-CB 4.47Å; F41-F45 WeakPolarHBondContact O-CB 3.05Å; F41-F45 PolarHBondContact O-N 2.78Å; H42-F45 PolarHBondContact O-N 3.41Å; F45-H47 VanDerWaalsContact C-N 3.33Å; F45-H47 PolarHBondContact O-N 3.44Å; F45-N48 PolarHBondContact O-N 3.22Å; F45-I49 HydrophobicContact CD1-CD1 3.9Å; F45-I49 HydrophobicContact CD2-CD1 3.77Å; F45-I49 HydrophobicContact CD2-CG1 4.45Å; F45-I49 HydrophobicContact CE1-CD1 3.43Å; F45-I49 VanDerWaalsContact CE1-CD1 3.43Å; F45-I49 HydrophobicContact CE2-CD1 3.25Å; F45-I49 HydrophobicContact CE2-CG1 4.2Å; F45-I49 HydrophobicContact CG-CD1 4.07Å; F45-I49 HydrophobicContact CZ-CD1 3.09Å; F45-I49 HydrophobicContact CZ-CG1 4.42Å; F45-I49 WeakPolarHBondContact O-CB 3.42Å; F45-I49 VanDerWaalsContact O-CG1 3.31Å; F45-I49 WeakPolarHBondContact O-CG1 3.44Å; F45-I49 PolarHBondContact O-N 3.49Å; F45-T75 HydrophobicContact CE1-CG2 4.34Å; F45-T75 HydrophobicContact CZ-CG2 3.82Å
46	H	57.8	Low	54.6	Low	91 Å²	91	77.9 Å²	77.9	42%	0.421	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-42.9	175.7	-78	-126.7	0	0	0	110.9	H42 F50	H42-H46 WeakPolarHBondContact O-CB 3.45Å; H42-H46 PolarHBondContact O-CD2 3.48Å; H42-H46 VanDerWaalsContact O-CG 3.3Å; H42-H46 PolarHBondContact O-N 2.9Å; H46-F50 WeakPolarHBondContact O-CB 3.15Å; H46-F50 PolarHBondContact O-N 3.49Å
47	H	58.1	Low	53.9	Low	108 Å²	108	76.8 Å²	76.8	50%	0.5	39%	0.388	S	S	.	.	H	α-helix	trans	-66.7	-43.1	-179.9	-170.1	-88	0	0	0	112.4	H43 R44 F45 F50 C51	H43-H47 WeakPolarHBondContact O-CB 3.28Å; H43-H47 PolarHBondContact O-N 3.21Å; R44-H47 PolarHBondContact O-N 3Å; F45-H47 VanDerWaalsContact C-N 3.33Å; F45-H47 PolarHBondContact O-N 3.44Å; H47-F50 PolarHBondContact O-N 2.92Å; H47-C51 WeakPolarHBondContact O-CB 3.36Å; H47-C51 PolarHBondContact O-N 3.49Å
48	N	55.2	Low	53.4	Low	68 Å²	68	74.4 Å²	74.4	36%	0.364	39%	0.39	S	S	.	.	H	α-helix	trans	-69.3	-39.9	179.7	-77.3	-13.8	0	0	0	112.3	R44 F45 S52	R44-N48 VanDerWaalsContact O-CB 3.31Å; R44-N48 WeakPolarHBondContact O-CB 3.17Å; R44-N48 PolarHBondContact O-N 2.84Å; F45-N48 PolarHBondContact O-N 3.22Å; N48-S52 VanDerWaalsContact O-CB 3.31Å; N48-S52 WeakPolarHBondContact O-CB 2.93Å; N48-S52 PolarHBondContact O-N 2.94Å; N48-S52 PolarHBondContact O-OG 3.38Å
49	I	57.2	Low	53.3	Low	11 Å²	11	72.7 Å²	72.7	6%	0.056	40%	0.398	C	S	.	.	H	α-helix	trans	-62.1	-54.2	170.8	-71.9	173.9	0	0	0	108.6	L20 F45 C51 S52 F53	L20-I49 HydrophobicContact CD2-CD1 3.63Å; L20-I49 HydrophobicContact CD2-CG1 4.08Å; L20-I49 HydrophobicContact CD2-CG2 3.82Å; F45-I49 HydrophobicContact CD1-CD1 3.9Å; F45-I49 HydrophobicContact CD2-CD1 3.77Å; F45-I49 HydrophobicContact CD2-CG1 4.45Å; F45-I49 HydrophobicContact CE1-CD1 3.43Å; F45-I49 VanDerWaalsContact CE1-CD1 3.43Å; F45-I49 HydrophobicContact CE2-CD1 3.25Å; F45-I49 HydrophobicContact CE2-CG1 4.2Å; F45-I49 HydrophobicContact CG-CD1 4.07Å; F45-I49 HydrophobicContact CZ-CD1 3.09Å; F45-I49 HydrophobicContact CZ-CG1 4.42Å; F45-I49 WeakPolarHBondContact O-CB 3.42Å; F45-I49 VanDerWaalsContact O-CG1 3.31Å; F45-I49 WeakPolarHBondContact O-CG1 3.44Å; F45-I49 PolarHBondContact O-N 3.49Å; I49-C51 VanDerWaalsContact C-N 3.3Å; I49-C51 PolarHBondContact O-N 2.92Å; I49-S52 PolarHBondContact O-N 3.04Å; I49-F53 HydrophobicContact CB-CD2 4.38Å; I49-F53 HydrophobicContact CB-CE2 4.42Å; I49-F53 HydrophobicContact CG2-CD2 3.56Å; I49-F53 HydrophobicContact CG2-CE2 3.49Å; I49-F53 VanDerWaalsContact CG2-CE2 3.49Å; I49-F53 HydrophobicContact CG2-CG 4.14Å; I49-F53 HydrophobicContact CG2-CZ 4.01Å; I49-F53 WeakPolarHBondContact O-CB 3.07Å; I49-F53 WeakPolarHBondContact O-CD2 3.33Å; I49-F53 WeakPolarHBondContact O-CG 3.32Å; I49-F53 PolarHBondContact O-N 3.47Å
50	F	54.8	Low	52.9	Low	144 Å²	144	73.2 Å²	73.2	63%	0.632	40%	0.398	S	S	*	.	H	α-helix	trans	-61.7	-37	-176	-165.3	-94.9	0	0	0	112.8	H46 H47 S54	H46-F50 WeakPolarHBondContact O-CB 3.15Å; H46-F50 PolarHBondContact O-N 3.49Å; H47-F50 PolarHBondContact O-N 2.92Å; F50-S54 WeakPolarHBondContact O-CA 3.28Å; F50-S54 WeakPolarHBondContact O-CB 3.33Å; F50-S54 PolarHBondContact O-N 3.26Å
51	C	50.7	Low	52.6	Low	72 Å²	72	77.1 Å²	77.1	49%	0.486	42%	0.419	S	S	.	.	H	α-helix	trans	-71.5	-44	178.5	-154.5	0	0	0	0	111.7	H47 I49 F53 S54 A55	H47-C51 WeakPolarHBondContact O-CB 3.36Å; H47-C51 PolarHBondContact O-N 3.49Å; I49-C51 VanDerWaalsContact C-N 3.3Å; I49-C51 PolarHBondContact O-N 2.92Å; C51-F53 VanDerWaalsContact C-N 3.31Å; C51-F53 PolarHBondContact O-N 2.92Å; C51-S54 PolarHBondContact O-N 3.43Å; C51-A55 PolarHBondContact O-N 2.75Å
52	S	51.8	Low	52.3	Low	66 Å²	66	81.2 Å²	81.2	46%	0.462	45%	0.446	S	S	.	.	H	α-helix	trans	-65.6	-37.7	175.2	-53.8	0	0	0	0	111.7	N48 I49 H56	N48-S52 VanDerWaalsContact O-CB 3.31Å; N48-S52 WeakPolarHBondContact O-CB 2.93Å; N48-S52 PolarHBondContact O-N 2.94Å; N48-S52 PolarHBondContact O-OG 3.38Å; I49-S52 PolarHBondContact O-N 3.04Å; S52-H56 PolarHBondContact O-N 3.26Å
53	F	50.6	Low	52.3	Low	8 Å²	8	87.5 Å²	87.5	4%	0.035	47%	0.473	C	S	.	.	H	α-helix	trans	-70.2	-44.1	176.2	-82.3	-120.5	0	0	0	110.9	L16 L20 I49 C51 A55 H56 C57 F64 L68	L16-F53 HydrophobicContact CD1-CD1 3.9Å; L16-F53 HydrophobicContact CD1-CE1 3.19Å; L16-F53 HydrophobicContact CD1-CE2 4.01Å; L16-F53 HydrophobicContact CD1-CZ 3.25Å; L16-F53 HydrophobicContact CD2-CE1 4.18Å; L16-F53 HydrophobicContact CG-CE1 3.78Å; L16-F53 HydrophobicContact CG-CZ 3.71Å; L20-F53 HydrophobicContact CD1-CZ 3.89Å; L20-F53 HydrophobicContact CD2-CE2 3.8Å; L20-F53 HydrophobicContact CD2-CZ 3.53Å; L20-F53 HydrophobicContact CG-CE2 4Å; L20-F53 HydrophobicContact CG-CZ 3.62Å; I49-F53 HydrophobicContact CB-CD2 4.38Å; I49-F53 HydrophobicContact CB-CE2 4.42Å; I49-F53 HydrophobicContact CG2-CD2 3.56Å; I49-F53 HydrophobicContact CG2-CE2 3.49Å; I49-F53 VanDerWaalsContact CG2-CE2 3.49Å; I49-F53 HydrophobicContact CG2-CG 4.14Å; I49-F53 HydrophobicContact CG2-CZ 4.01Å; I49-F53 WeakPolarHBondContact O-CB 3.07Å; I49-F53 WeakPolarHBondContact O-CD2 3.33Å; I49-F53 WeakPolarHBondContact O-CG 3.32Å; I49-F53 PolarHBondContact O-N 3.47Å; C51-F53 VanDerWaalsContact C-N 3.31Å; C51-F53 PolarHBondContact O-N 2.92Å; F53-A55 VanDerWaalsContact C-N 3.34Å; F53-A55 PolarHBondContact O-N 2.79Å; F53-H56 CarbonylContact O-C 3.59Å; F53-H56 PolarHBondContact O-N 2.78Å; F53-H56 VanDerWaalsContact O-N 3.09Å; F53-C57 WeakPolarHBondContact O-CB 3.22Å; F53-C57 PolarHBondContact O-N 3.41Å; F53-C57 PolarHBondContact O-SG 2.94Å; F53-F64 AromaticContact CD1-CZ 3.96Å; F53-F64 HydrophobicContact CD1-CZ 3.96Å; F53-L68 HydrophobicContact CD1-CD1 3.43Å; F53-L68 VanDerWaalsContact CD1-CD1 3.43Å; F53-L68 HydrophobicContact CE1-CD1 3.71Å; F53-L68 HydrophobicContact CG-CD1 4.5Å
54	S	49.3	Very low	52.1	Low	54 Å²	54	83.5 Å²	83.5	38%	0.378	45%	0.453	S	S	.	.	H	α-helix	trans	-61.3	-41.1	178.3	179	0	0	0	0	111.9	F50 C51 H56 C57 N58	F50-S54 WeakPolarHBondContact O-CA 3.28Å; F50-S54 WeakPolarHBondContact O-CB 3.33Å; F50-S54 PolarHBondContact O-N 3.26Å; C51-S54 PolarHBondContact O-N 3.43Å; S54-H56 VanDerWaalsContact C-N 3.3Å; S54-H56 PolarHBondContact O-N 3.26Å; S54-C57 PolarHBondContact O-N 3.09Å; S54-N58 PolarHBondContact O-N 3.49Å
55	A	51.2	Low	51.9	Low	71 Å²	71	85 Å²	85	59%	0.587	47%	0.466	S	S	*	.	H	α-helix	trans	-61.3	-38.1	173.7	0	0	0	0	0	112.4	C51 F53	C51-A55 PolarHBondContact O-N 2.75Å; F53-A55 VanDerWaalsContact C-N 3.34Å; F53-A55 PolarHBondContact O-N 2.79Å
56	H	47.2	Very low	51.6	Low	75 Å²	75	90.8 Å²	90.8	35%	0.347	50%	0.497	S	S	.	.	H	α-helix	trans	-76.2	-34	176.1	-166.1	69.3	0	0	0	112.7	S52 F53 S54 A59	S52-H56 PolarHBondContact O-N 3.26Å; F53-H56 CarbonylContact O-C 3.59Å; F53-H56 PolarHBondContact O-N 2.78Å; F53-H56 VanDerWaalsContact O-N 3.09Å; S54-H56 VanDerWaalsContact C-N 3.3Å; S54-H56 PolarHBondContact O-N 3.26Å; H56-A59 WeakPolarHBondContact O-CB 3.5Å; H56-A59 PolarHBondContact O-N 3.24Å
57	C	41.8	Very low	51.3	Low	36 Å²	36	91.7 Å²	91.7	24%	0.243	50%	0.5	C	S	.	.	H	α-helix	trans	-69.9	-35.5	178.9	-67.8	0	0	0	0	113.1	F53 S54 A59 V60 F64	F53-C57 WeakPolarHBondContact O-CB 3.22Å; F53-C57 PolarHBondContact O-N 3.41Å; F53-C57 PolarHBondContact O-SG 2.94Å; S54-C57 PolarHBondContact O-N 3.09Å; C57-A59 PolarHBondContact O-N 2.94Å; C57-V60 CarbonylContact O-C 3.6Å; C57-V60 PolarHBondContact O-N 3.47Å; C57-V60 VanDerWaalsContact O-N 3.1Å; C57-F64 WeakPolarHBondContact SG-CD1 3.33Å; C57-F64 WeakPolarHBondContact SG-CE1 3.39Å; C57-F64 WeakPolarHBondContact SG-CZ 3.41Å
58	N	47.5	Very low	51.2	Low	151 Å²	151	88.8 Å²	88.8	81%	0.807	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.6	173.6	-95.1	-7.7	0	0	0	112.4	S54	S54-N58 PolarHBondContact O-N 3.49Å
59	A	51.8	Low	51.2	Low	81 Å²	81	92 Å²	92	67%	0.669	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-19.4	176	0	0	0	0	0	113.8	H56 C57	H56-A59 WeakPolarHBondContact O-CB 3.5Å; H56-A59 PolarHBondContact O-N 3.24Å; C57-A59 PolarHBondContact O-N 2.94Å
60	V	48.6	Very low	51.3	Low	81 Å²	81	97 Å²	97	49%	0.491	52%	0.523	S	S	.	.	S	Bend	trans	-129.3	87.6	-169.5	-167.8	0	0	0	0	110.5	C57 V62	C57-V60 CarbonylContact O-C 3.6Å; C57-V60 PolarHBondContact O-N 3.47Å; C57-V60 VanDerWaalsContact O-N 3.1Å; V60-V62 PolarHBondContact O-N 3.14Å
61	N	50.6	Low	51.1	Low	150 Å²	150	91.1 Å²	91.1	80%	0.802	50%	0.5	S	S	*	.			trans	-68.3	123.2	-177.6	-153.3	11.8	0	0	0	111.7
62	V	47.6	Very low	51.5	Low	115 Å²	115	91 Å²	91	70%	0.697	49%	0.494	S	S	*	.	S	Bend	trans	73.7	91.5	156.8	-155.7	0	0	0	0	119	V60	V60-V62 PolarHBondContact O-N 3.14Å
63	K	56.5	Low	51.8	Low	193 Å²	193	94.3 Å²	94.3	84%	0.839	50%	0.5	S	S	*	.	S	Bend	trans	160	5.4	154.9	-94	174.7	-174.6	-178	0	112.2
64	F	52	Low	51.9	Low	50 Å²	50	97.8 Å²	97.8	22%	0.219	52%	0.518	C	S	.	.	H	α-helix	trans	-79.3	-28.3	-160.6	-175	-97.7	0	0	0	115.3	F53 C57 N66 K67 L68	F53-F64 AromaticContact CD1-CZ 3.96Å; F53-F64 HydrophobicContact CD1-CZ 3.96Å; C57-F64 WeakPolarHBondContact SG-CD1 3.33Å; C57-F64 WeakPolarHBondContact SG-CE1 3.39Å; C57-F64 WeakPolarHBondContact SG-CZ 3.41Å; F64-N66 VanDerWaalsContact C-N 3.34Å; F64-N66 PolarHBondContact O-N 3.4Å; F64-K67 CarbonylContact O-C 3.53Å; F64-K67 PolarHBondContact O-N 3.47Å; F64-L68 HydrophobicContact CD1-CB 3.93Å; F64-L68 HydrophobicContact CD1-CD2 4.38Å; F64-L68 HydrophobicContact CE1-CB 3.62Å; F64-L68 HydrophobicContact CE1-CD1 3.78Å; F64-L68 HydrophobicContact CE1-CD2 3.9Å; F64-L68 HydrophobicContact CE1-CG 3.96Å; F64-L68 HydrophobicContact CZ-CB 4.26Å; F64-L68 HydrophobicContact CZ-CD1 4.08Å; F64-L68 WeakPolarHBondContact O-CB 3.44Å; F64-L68 PolarHBondContact O-N 3.25Å
65	E	49.9	Very low	51.9	Low	156 Å²	156	95.9 Å²	95.9	73%	0.729	50%	0.504	S	S	*	.	H	α-helix	trans	-57.8	-42.3	-174.1	-67.7	-174.1	148.8	0	0	113.3	K67 L68 Q69	E65-K67 PolarHBondContact O-N 2.93Å; E65-L68 PolarHBondContact O-N 3.13Å; E65-Q69 WeakPolarHBondContact O-CB 3.09Å; E65-Q69 WeakPolarHBondContact O-CG 3.49Å; E65-Q69 PolarHBondContact O-N 2.86Å
66	N	53.6	Low	51.9	Low	125 Å²	125	95.4 Å²	95.4	67%	0.668	49%	0.491	S	S	*	.	H	α-helix	trans	-66.9	-36.9	176.8	-73.5	-17.4	0	0	0	112.3	F64 H70	F64-N66 VanDerWaalsContact C-N 3.34Å; F64-N66 PolarHBondContact O-N 3.4Å; N66-H70 WeakPolarHBondContact O-CB 3.22Å; N66-H70 PolarHBondContact O-N 3.21Å; N66-H70 VanDerWaalsContact O-N 3.1Å
67	K	51.7	Low	52.1	Low	111 Å²	111	98.9 Å²	98.9	48%	0.483	51%	0.506	S	S	.	.	H	α-helix	trans	-72.4	-39	178.1	-67.2	-171.2	174.8	-168.6	0	110.9	D9 F64 E65 H70 C71	D9-K67 IonicContact OD1-NZ 3.94Å; F64-K67 CarbonylContact O-C 3.53Å; F64-K67 PolarHBondContact O-N 3.47Å; E65-K67 PolarHBondContact O-N 2.93Å; K67-H70 PolarHBondContact O-N 3.23Å; K67-C71 PolarHBondContact O-N 3.27Å; K67-C71 PolarHBondContact O-SG 2.75Å
68	L	55.9	Low	52.1	Low	47 Å²	47	101.4 Å²	101.4	25%	0.246	52%	0.524	C	S	.	.	H	α-helix	trans	-61.4	-49	173.7	-177.7	63.5	0	0	0	111.5	F53 F64 E65 H70 C71 L72	F53-L68 HydrophobicContact CD1-CD1 3.43Å; F53-L68 VanDerWaalsContact CD1-CD1 3.43Å; F53-L68 HydrophobicContact CE1-CD1 3.71Å; F53-L68 HydrophobicContact CG-CD1 4.5Å; F64-L68 HydrophobicContact CD1-CB 3.93Å; F64-L68 HydrophobicContact CD1-CD2 4.38Å; F64-L68 HydrophobicContact CE1-CB 3.62Å; F64-L68 HydrophobicContact CE1-CD1 3.78Å; F64-L68 HydrophobicContact CE1-CD2 3.9Å; F64-L68 HydrophobicContact CE1-CG 3.96Å; F64-L68 HydrophobicContact CZ-CB 4.26Å; F64-L68 HydrophobicContact CZ-CD1 4.08Å; F64-L68 WeakPolarHBondContact O-CB 3.44Å; F64-L68 PolarHBondContact O-N 3.25Å; E65-L68 PolarHBondContact O-N 3.13Å; L68-H70 VanDerWaalsContact C-N 3.27Å; L68-H70 PolarHBondContact O-N 3.17Å; L68-C71 PolarHBondContact O-N 3.41Å; L68-L72 VanDerWaalsContact O-CB 3.25Å; L68-L72 WeakPolarHBondContact O-CB 3.42Å; L68-L72 PolarHBondContact O-N 3.43Å
69	Q	55.8	Low	51.9	Low	134 Å²	134	96.2 Å²	96.2	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-60.2	-39	176.9	-75.9	-173.6	-0.8	0	0	111.7	E65 K73	E65-Q69 WeakPolarHBondContact O-CB 3.09Å; E65-Q69 WeakPolarHBondContact O-CG 3.49Å; E65-Q69 PolarHBondContact O-N 2.86Å; Q69-K73 VanDerWaalsContact O-CB 3.25Å; Q69-K73 WeakPolarHBondContact O-CB 3.25Å; Q69-K73 PolarHBondContact O-N 2.79Å
70	H	57.4	Low	51.3	Low	116 Å²	116	95.9 Å²	95.9	54%	0.537	48%	0.484	S	S	.	.	H	α-helix	trans	-65.1	-48.7	177.2	-170.3	66.8	0	0	0	112.3	N66 K67 L68 K73 I74	N66-H70 WeakPolarHBondContact O-CB 3.22Å; N66-H70 PolarHBondContact O-N 3.21Å; N66-H70 VanDerWaalsContact O-N 3.1Å; K67-H70 PolarHBondContact O-N 3.23Å; L68-H70 VanDerWaalsContact C-N 3.27Å; L68-H70 PolarHBondContact O-N 3.17Å; H70-K73 WeakPolarHBondContact O-CB 3.44Å; H70-K73 PolarHBondContact O-N 3.3Å; H70-I74 WeakPolarHBondContact NE2-CD1 3.45Å; H70-I74 WeakPolarHBondContact O-CG1 2.96Å; H70-I74 PolarHBondContact O-N 2.99Å
71	C	52	Low	51	Low	21 Å²	21	97.2 Å²	97.2	14%	0.142	49%	0.494	C	S	.	.	H	α-helix	trans	-67.6	-40.3	180	-71.2	0	0	0	0	112.4	L16 L20 K67 L68 K73 I74 T75	L16-C71 HydrophobicContact CD2-CB 3.81Å; L16-C71 WeakPolarHBondContact CD2-SG 3.2Å; L16-C71 HydrophobicContact CG-CB 4.45Å; L20-C71 HydrophobicContact CD1-CB 4.14Å; K67-C71 PolarHBondContact O-N 3.27Å; K67-C71 PolarHBondContact O-SG 2.75Å; L68-C71 PolarHBondContact O-N 3.41Å; C71-K73 VanDerWaalsContact C-N 3.29Å; C71-K73 PolarHBondContact O-N 3.1Å; C71-I74 PolarHBondContact O-N 2.95Å; C71-T75 PolarHBondContact O-N 2.96Å; C71-T75 PolarHBondContact O-OG1 3.02Å
72	L	58.9	Low	50.4	Low	69 Å²	69	101.4 Å²	101.4	36%	0.361	52%	0.516	S	S	.	.	H	α-helix	trans	-60.3	-41.6	173.9	-164.4	75.8	0	0	0	111	L68 T75 L76	L68-L72 VanDerWaalsContact O-CB 3.25Å; L68-L72 WeakPolarHBondContact O-CB 3.42Å; L68-L72 PolarHBondContact O-N 3.43Å; L72-T75 PolarHBondContact O-N 3.35Å; L72-L76 HydrophobicContact CD2-CD1 4.47Å; L72-L76 HydrophobicContact CG-CD1 4.06Å; L72-L76 WeakPolarHBondContact O-CB 3.38Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.37Å
73	K	57.5	Low	50.5	Low	136 Å²	136	100.8 Å²	100.8	59%	0.591	51%	0.507	S	S	*	.	H	α-helix	trans	-64.1	-39.6	176.9	-168.7	175.6	-175.5	175.1	0	112.5	Q69 H70 C71 K77	Q69-K73 VanDerWaalsContact O-CB 3.25Å; Q69-K73 WeakPolarHBondContact O-CB 3.25Å; Q69-K73 PolarHBondContact O-N 2.79Å; H70-K73 WeakPolarHBondContact O-CB 3.44Å; H70-K73 PolarHBondContact O-N 3.3Å; C71-K73 VanDerWaalsContact C-N 3.29Å; C71-K73 PolarHBondContact O-N 3.1Å; K73-K77 WeakPolarHBondContact O-CB 3.49Å; K73-K77 WeakPolarHBondContact O-CG 3.25Å; K73-K77 PolarHBondContact O-N 3.45Å; K73-K77 VanDerWaalsContact O-N 3.13Å
74	I	53.2	Low	50.2	Low	81 Å²	81	95.9 Å²	95.9	42%	0.415	49%	0.489	S	S	.	.	H	α-helix	trans	-67.9	-47.6	176.8	-69.1	169.9	0	0	0	110.7	H70 C71 L76 K77 S78	H70-I74 WeakPolarHBondContact NE2-CD1 3.45Å; H70-I74 WeakPolarHBondContact O-CG1 2.96Å; H70-I74 PolarHBondContact O-N 2.99Å; C71-I74 PolarHBondContact O-N 2.95Å; I74-L76 PolarHBondContact O-N 3.1Å; I74-K77 PolarHBondContact O-N 3.48Å; I74-S78 PolarHBondContact O-N 3.49Å
75	T	50	Low	50.1	Low	15 Å²	15	98.4 Å²	98.4	9%	0.092	50%	0.504	C	S	.	.	H	α-helix	trans	-63.8	-41.9	-179.8	-58.8	0	0	0	0	111.9	L20 V24 F45 C71 L72 K77 S78 A79	L20-T75 HydrophobicContact CB-CG2 4.43Å; L20-T75 WeakPolarHBondContact CD1-OG1 3.23Å; L20-T75 HydrophobicContact CD2-CG2 4.21Å; V24-T75 HydrophobicContact CG2-CG2 4.4Å; F45-T75 HydrophobicContact CE1-CG2 4.34Å; F45-T75 HydrophobicContact CZ-CG2 3.82Å; C71-T75 PolarHBondContact O-N 2.96Å; C71-T75 PolarHBondContact O-OG1 3.02Å; L72-T75 PolarHBondContact O-N 3.35Å; T75-K77 PolarHBondContact O-N 3.31Å; T75-S78 PolarHBondContact O-N 3.27Å; T75-A79 VanDerWaalsContact O-CB 3.28Å; T75-A79 WeakPolarHBondContact O-CB 3.47Å; T75-A79 PolarHBondContact O-N 3.01Å
76	L	51.4	Low	50.1	Low	60 Å²	60	95.1 Å²	95.1	31%	0.314	49%	0.491	S	S	.	.	H	α-helix	trans	-63.6	-40.4	176	-71.9	172.1	0	0	0	111.8	L72 I74 S78 A79 Y80	L72-L76 HydrophobicContact CD2-CD1 4.47Å; L72-L76 HydrophobicContact CG-CD1 4.06Å; L72-L76 WeakPolarHBondContact O-CB 3.38Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.37Å; I74-L76 PolarHBondContact O-N 3.1Å; L76-S78 VanDerWaalsContact C-N 3.34Å; L76-S78 PolarHBondContact O-N 2.81Å; L76-A79 PolarHBondContact O-N 3.47Å; L76-Y80 HydrophobicContact CD2-CD2 4.23Å; L76-Y80 HydrophobicContact CD2-CE2 3.98Å; L76-Y80 WeakPolarHBondContact O-CD2 3.4Å; L76-Y80 PolarHBondContact O-N 3.26Å
77	K	50	Low	49.9	Very low	148 Å²	148	93.2 Å²	93.2	64%	0.643	48%	0.48	S	S	*	.	H	α-helix	trans	-64	-37.1	173.2	-80.2	-172.9	172.3	-164.1	0	113.1	K73 I74 T75 Y80	K73-K77 WeakPolarHBondContact O-CB 3.49Å; K73-K77 WeakPolarHBondContact O-CG 3.25Å; K73-K77 PolarHBondContact O-N 3.45Å; K73-K77 VanDerWaalsContact O-N 3.13Å; I74-K77 PolarHBondContact O-N 3.48Å; T75-K77 PolarHBondContact O-N 3.31Å; K77-Y80 CarbonylContact O-C 3.43Å
78	S	42.5	Very low	49.8	Very low	90 Å²	90	92 Å²	92	63%	0.629	48%	0.479	S	S	*	.	H	α-helix	trans	-75.9	-32.9	179.5	-169.8	0	0	0	0	112.9	I74 T75 L76	I74-S78 PolarHBondContact O-N 3.49Å; T75-S78 PolarHBondContact O-N 3.27Å; L76-S78 VanDerWaalsContact C-N 3.34Å; L76-S78 PolarHBondContact O-N 2.81Å
79	A	42.2	Very low	49.3	Very low	42 Å²	42	95.2 Å²	95.2	35%	0.347	50%	0.496	S	S	.	.	H	α-helix	trans	-81.8	-28.1	179.2	0	0	0	0	0	112.5	T75 L76 P81	T75-A79 VanDerWaalsContact O-CB 3.28Å; T75-A79 WeakPolarHBondContact O-CB 3.47Å; T75-A79 PolarHBondContact O-N 3.01Å; L76-A79 PolarHBondContact O-N 3.47Å; A79-P81 VanDerWaalsContact C-CD 3.49Å; A79-P81 WeakPolarHBondContact O-CD 3.36Å
80	Y	40.3	Very low	48.8	Very low	73 Å²	73	92.2 Å²	92.2	29%	0.286	49%	0.486	S	S	.	.			trans	-123.9	76.7	176	-53.9	-78.4	0	0	0	109.7	H42 L76 K77 L82	H42-Y80 PolarHBondContact CD2-OH 2.93Å; H42-Y80 AromaticContact NE2-CE1 3.82Å; H42-Y80 AromaticContact NE2-CZ 3.5Å; H42-Y80 PolarHBondContact NE2-OH 3.01Å; L76-Y80 HydrophobicContact CD2-CD2 4.23Å; L76-Y80 HydrophobicContact CD2-CE2 3.98Å; L76-Y80 WeakPolarHBondContact O-CD2 3.4Å; L76-Y80 PolarHBondContact O-N 3.26Å; K77-Y80 CarbonylContact O-C 3.43Å; Y80-L82 VanDerWaalsContact C-N 3.27Å; Y80-L82 PolarHBondContact O-N 3.33Å
81	P	42	Very low	48.1	Very low	110 Å²	110	90.3 Å²	90.3	71%	0.714	48%	0.482	S	S	*	.			trans	-67.6	94	164.1	29.1	-30.6	0	0	0	107.2	A79	A79-P81 VanDerWaalsContact C-CD 3.49Å; A79-P81 WeakPolarHBondContact O-CD 3.36Å
82	L	37.5	Very low	47.8	Very low	238 Å²	238	96.5 Å²	96.5	100%	1.246	51%	0.513	S	S	*	.			trans	-76.4	0	162.4	-75.3	170.4	0	0	0	109.3	Y80	Y80-L82 VanDerWaalsContact C-N 3.27Å; Y80-L82 PolarHBondContact O-N 3.33Å

Retrieved 82 of 82 residues in 83.2 ms (Link to these results)

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