A0A5K4FBA8_SCHMA Loading...

Interleukin-12 subunit alpha AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 69 aa.

						>A0A5K4FBA8_SCHMA|A0A5K4FBA8
MDEYDTDDIDDDFSDYDTELLCQRLNDYLEQLKKSCVRVPIQHYDTELLCSSMNNLVQFIENGCKDPAE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.5	Very low	56.9	Low	225 Å²	225	153.4 Å²	153.4	100%	1.108	78%	0.78	S	S	*	*				0	97.2	0	-168.7	157.4	179.6	0	0	102.7	E3	M1-E3 PolarHBondContact O-N 2.93Å
2	D	56.2	Low	56.8	Low	145 Å²	145	153 Å²	153	78%	0.775	78%	0.781	S	S	*	*			trans	-83.7	94.1	-172.2	-56.8	-48	0	0	0	106.8	Y4	D2-Y4 HydrophobicContact CB-CD2 4.33Å; D2-Y4 HydrophobicContact CB-CE2 4.19Å; D2-Y4 PolarHBondContact O-N 2.91Å
3	E	59.8	Low	56.6	Low	176 Å²	176	153.2 Å²	153.2	82%	0.822	77%	0.774	S	S	*	*			trans	-73.5	97.7	163.5	-94.7	171.8	143.1	0	0	106.5	M1 D5	M1-E3 PolarHBondContact O-N 2.93Å; E3-D5 PolarHBondContact O-N 3Å
4	Y	62.8	Low	56.4	Low	203 Å²	203	149.4 Å²	149.4	80%	0.796	77%	0.768	S	S	*	*			trans	-73	101.6	157.7	-79.7	-86.7	0	0	0	106.3	D2 T6	D2-Y4 HydrophobicContact CB-CD2 4.33Å; D2-Y4 HydrophobicContact CB-CE2 4.19Å; D2-Y4 PolarHBondContact O-N 2.91Å; Y4-T6 PolarHBondContact O-N 2.89Å
5	D	57.6	Low	56.2	Low	125 Å²	125	148.8 Å²	148.8	67%	0.668	77%	0.767	S	S	*	*			trans	-52	121	167.9	-86.1	-39.2	0	0	0	108.4	E3 D7	E3-D5 PolarHBondContact O-N 3Å; D5-D7 HydrophobicContact CB-CB 4.44Å; D5-D7 PolarHBondContact O-N 2.87Å
6	T	62.7	Low	56	Low	117 Å²	117	149 Å²	149	72%	0.718	76%	0.756	S	S	*	*			trans	-85	28.7	177.3	-41.4	0	0	0	0	110.3	Y4 D8	Y4-T6 PolarHBondContact O-N 2.89Å; T6-D8 PolarHBondContact O-N 3.23Å
7	D	58.2	Low	56.3	Low	125 Å²	125	144.8 Å²	144.8	67%	0.668	74%	0.736	S	S	*	*			trans	-85.1	9.9	-178.4	-69	-31.4	0	0	0	112.8	D5	D5-D7 HydrophobicContact CB-CB 4.44Å; D5-D7 PolarHBondContact O-N 2.87Å
8	D	55.7	Low	56.6	Low	163 Å²	163	141.6 Å²	141.6	87%	0.872	73%	0.725	S	S	*	*			trans	-103.8	31.7	176	-109.2	-31.8	0	0	0	112.2	T6	T6-D8 PolarHBondContact O-N 3.23Å
9	I	57.5	Low	57	Low	148 Å²	148	141.2 Å²	141.2	76%	0.759	72%	0.72	S	S	*	*			trans	-125.4	53.5	163.2	-48.5	177.2	0	0	0	108	D11	I9-D11 VanDerWaalsContact C-N 3.34Å; I9-D11 PolarHBondContact O-N 3.05Å
10	D	54.2	Low	57.4	Low	147 Å²	147	137.6 Å²	137.6	79%	0.786	70%	0.702	S	S	*	*			trans	-74.7	94.2	157.4	-102.3	-50.3	0	0	0	107.7	D12	D10-D12 PolarHBondContact O-N 3.33Å
11	D	56.3	Low	57.7	Low	113 Å²	113	135.1 Å²	135.1	60%	0.604	69%	0.69	S	S	*	*			trans	29.8	60.5	140.7	-141.5	6.4	0	0	0	117.4	I9 F13 S14	I9-D11 VanDerWaalsContact C-N 3.34Å; I9-D11 PolarHBondContact O-N 3.05Å; D11-F13 PolarHBondContact O-N 3.38Å; D11-S14 PolarHBondContact O-N 3.16Å; D11-S14 PolarHBondContact O-OG 3.2Å
12	D	55.5	Low	58.6	Low	149 Å²	149	125.4 Å²	125.4	80%	0.797	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	45.3	167.1	-164.4	33	0	0	0	111.4	D10	D10-D12 PolarHBondContact O-N 3.33Å
13	F	53.7	Low	59.2	Low	156 Å²	156	123.9 Å²	123.9	68%	0.684	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	1.4	165	-95.9	-86.5	0	0	0	111.9	D11 D15 Y16	D11-F13 PolarHBondContact O-N 3.38Å; F13-D15 VanDerWaalsContact C-N 3.3Å; F13-D15 PolarHBondContact O-N 2.84Å; F13-Y16 HydrophobicContact CD1-CD2 4.06Å; F13-Y16 HydrophobicContact CD1-CE2 4.09Å; F13-Y16 HydrophobicContact CE1-CD2 4.35Å; F13-Y16 AromaticContact CE1-CE2 3.91Å; F13-Y16 HydrophobicContact CE1-CE2 3.91Å
14	S	54.3	Low	59.7	Low	99 Å²	99	123.3 Å²	123.3	69%	0.692	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-12.1	-179.7	54.3	0	0	0	0	114.3	D11	D11-S14 PolarHBondContact O-N 3.16Å; D11-S14 PolarHBondContact O-OG 3.2Å
15	D	52.7	Low	59.9	Low	141 Å²	141	116.2 Å²	116.2	75%	0.754	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	26.9	-175.6	-134.1	15.3	0	0	0	112.9	F13 D17	F13-D15 VanDerWaalsContact C-N 3.3Å; F13-D15 PolarHBondContact O-N 2.84Å; D15-D17 PolarHBondContact O-N 3.29Å
16	Y	54.2	Low	60.5	Low	152 Å²	152	113.5 Å²	113.5	60%	0.596	58%	0.583	S	S	*	*	S	Bend	trans	-64.4	91.5	149.1	-98.7	-82.6	0	0	0	105.9	F13 T18 L21	F13-Y16 HydrophobicContact CD1-CD2 4.06Å; F13-Y16 HydrophobicContact CD1-CE2 4.09Å; F13-Y16 HydrophobicContact CE1-CD2 4.35Å; F13-Y16 AromaticContact CE1-CE2 3.91Å; F13-Y16 HydrophobicContact CE1-CE2 3.91Å; Y16-T18 WeakPolarHBondContact O-CA 3.24Å; Y16-T18 WeakPolarHBondContact O-CG2 3.08Å; Y16-T18 PolarHBondContact O-N 3.44Å; Y16-L21 HydrophobicContact CD1-CD1 4.14Å
17	D	60.2	Low	61.1	Low	78 Å²	78	112.4 Å²	112.4	42%	0.417	57%	0.573	S	S	.	*			trans	-42.8	92.6	-179.6	-170.1	-21	0	0	0	108.2	D15 E19 L20 L21	D15-D17 PolarHBondContact O-N 3.29Å; D17-E19 PolarHBondContact O-N 2.92Å; D17-E19 WeakPolarHBondContact OD1-CB 3.35Å; D17-E19 PolarHBondContact OD1-N 2.05Å; D17-L20 HydrophobicContact CB-CB 3.68Å; D17-L20 WeakPolarHBondContact O-CA 3.37Å; D17-L20 WeakPolarHBondContact O-CB 3.07Å; D17-L20 PolarHBondContact O-N 3.47Å; D17-L20 PolarHBondContact OD1-N 3.27Å; D17-L20 VanDerWaalsContact OD1-N 3.09Å; D17-L21 PolarHBondContact O-N 2.95Å
18	T	61.4	Low	61.7	Low	87 Å²	87	112.7 Å²	112.7	53%	0.534	57%	0.566	S	S	.	*	H	α-helix	trans	-62.4	-33.7	-171.8	42.8	0	0	0	0	107.2	Y16 L21 C22	Y16-T18 WeakPolarHBondContact O-CA 3.24Å; Y16-T18 WeakPolarHBondContact O-CG2 3.08Å; Y16-T18 PolarHBondContact O-N 3.44Å; T18-L21 PolarHBondContact O-N 3.36Å; T18-C22 VanDerWaalsContact O-CB 3.25Å; T18-C22 WeakPolarHBondContact O-CB 3.38Å; T18-C22 PolarHBondContact O-N 2.81Å; T18-C22 PolarHBondContact O-SG 3.13Å
19	E	64.4	Low	62.3	Low	134 Å²	134	105.3 Å²	105.3	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-59.2	-47	169.8	-48.7	-169.2	154.1	0	0	112	D17 L21 C22 Q23	D17-E19 PolarHBondContact O-N 2.92Å; D17-E19 WeakPolarHBondContact OD1-CB 3.35Å; D17-E19 PolarHBondContact OD1-N 2.05Å; E19-L21 PolarHBondContact O-N 3.44Å; E19-C22 WeakPolarHBondContact O-CB 3.41Å; E19-C22 PolarHBondContact O-N 3.4Å; E19-Q23 WeakPolarHBondContact O-CB 3.41Å; E19-Q23 VanDerWaalsContact O-CG 3.26Å; E19-Q23 WeakPolarHBondContact O-CG 3.18Å; E19-Q23 PolarHBondContact O-N 3.05Å
20	L	65	Low	63	Low	68 Å²	68	103 Å²	103	36%	0.356	51%	0.512	S	S	.	.	H	α-helix	trans	-62.6	-40.1	176	-173	68	0	0	0	112.6	D17 Q23 R24	D17-L20 HydrophobicContact CB-CB 3.68Å; D17-L20 WeakPolarHBondContact O-CA 3.37Å; D17-L20 WeakPolarHBondContact O-CB 3.07Å; D17-L20 PolarHBondContact O-N 3.47Å; D17-L20 PolarHBondContact OD1-N 3.27Å; D17-L20 VanDerWaalsContact OD1-N 3.09Å; L20-Q23 PolarHBondContact O-N 2.9Å; L20-R24 WeakPolarHBondContact O-CG 3.47Å; L20-R24 PolarHBondContact O-N 3.04Å
21	L	63.1	Low	63.9	Low	87 Å²	87	101.7 Å²	101.7	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-44.9	174.8	-75.6	170.9	0	0	0	110.8	Y16 D17 T18 E19 Q23 R24 L25	Y16-L21 HydrophobicContact CD1-CD1 4.14Å; D17-L21 PolarHBondContact O-N 2.95Å; T18-L21 PolarHBondContact O-N 3.36Å; E19-L21 PolarHBondContact O-N 3.44Å; L21-Q23 VanDerWaalsContact C-N 3.34Å; L21-Q23 PolarHBondContact O-N 3.43Å; L21-R24 PolarHBondContact O-N 2.94Å; L21-L25 WeakPolarHBondContact O-CB 3.36Å; L21-L25 PolarHBondContact O-N 3.43Å
22	C	65.4	Low	64.4	Low	20 Å²	20	98.4 Å²	98.4	14%	0.135	48%	0.483	C	S	.	.	H	α-helix	trans	-62.4	-39.7	176	-67.3	0	0	0	0	111.9	T18 E19 L25 N26 C64	T18-C22 VanDerWaalsContact O-CB 3.25Å; T18-C22 WeakPolarHBondContact O-CB 3.38Å; T18-C22 PolarHBondContact O-N 2.81Å; T18-C22 PolarHBondContact O-SG 3.13Å; E19-C22 WeakPolarHBondContact O-CB 3.41Å; E19-C22 PolarHBondContact O-N 3.4Å; C22-L25 PolarHBondContact O-N 3.07Å; C22-N26 WeakPolarHBondContact O-CB 3.45Å; C22-N26 PolarHBondContact O-N 2.78Å; C22-N26 PolarHBondContact O-ND2 3.37Å; C22-C64 HydrophobicContact CB-CB 3.8Å; C22-C64 WeakPolarHBondContact CB-SG 3.34Å; C22-C64 VanDerWaalsContact SG-CA 3.52Å; C22-C64 WeakPolarHBondContact SG-CB 3.5Å; C22-C64 CovalentContact SG-SG 2Å; C22-C64 PolarHBondContact SG-SG 3.24Å
23	Q	67.8	Low	65	Low	113 Å²	113	95.7 Å²	95.7	53%	0.528	47%	0.465	S	S	.	.	H	α-helix	trans	-63.7	-53	175	-76.5	174.2	10.3	0	0	111.6	E19 L20 L21 L25 N26 D27	E19-Q23 WeakPolarHBondContact O-CB 3.41Å; E19-Q23 VanDerWaalsContact O-CG 3.26Å; E19-Q23 WeakPolarHBondContact O-CG 3.18Å; E19-Q23 PolarHBondContact O-N 3.05Å; L20-Q23 PolarHBondContact O-N 2.9Å; L21-Q23 VanDerWaalsContact C-N 3.34Å; L21-Q23 PolarHBondContact O-N 3.43Å; Q23-L25 PolarHBondContact O-N 3.11Å; Q23-N26 WeakPolarHBondContact O-CB 3.47Å; Q23-N26 PolarHBondContact O-N 3.36Å; Q23-N26 VanDerWaalsContact O-N 3.14Å; Q23-D27 PolarHBondContact O-N 3.44Å
24	R	71	Confident	65.7	Low	165 Å²	165	93.8 Å²	93.8	62%	0.623	46%	0.456	S	S	*	.	H	α-helix	trans	-58.2	-36.8	178.5	-74.8	179.8	-179.5	-173.6	3.1	112.1	L20 L21 Y28	L20-R24 WeakPolarHBondContact O-CG 3.47Å; L20-R24 PolarHBondContact O-N 3.04Å; L21-R24 PolarHBondContact O-N 2.94Å; R24-Y28 WeakPolarHBondContact O-CB 3.37Å; R24-Y28 PolarHBondContact O-N 3.28Å
25	L	67.7	Low	66.3	Low	54 Å²	54	92.1 Å²	92.1	28%	0.283	44%	0.444	S	S	.	.	H	α-helix	trans	-74	-39.5	178.9	-165.7	71.2	0	0	0	112.1	L21 C22 Q23 D27 Y28 L29 I60	L21-L25 WeakPolarHBondContact O-CB 3.36Å; L21-L25 PolarHBondContact O-N 3.43Å; C22-L25 PolarHBondContact O-N 3.07Å; Q23-L25 PolarHBondContact O-N 3.11Å; L25-D27 VanDerWaalsContact C-N 3.32Å; L25-D27 PolarHBondContact O-N 2.79Å; L25-Y28 PolarHBondContact O-N 3.44Å; L25-L29 HydrophobicContact CG-CD1 4.29Å; L25-L29 WeakPolarHBondContact O-CB 3.05Å; L25-L29 WeakPolarHBondContact O-CG 3.19Å; L25-L29 PolarHBondContact O-N 3.22Å; L25-I60 HydrophobicContact CD1-CD1 4.27Å; L25-I60 HydrophobicContact CD2-CB 3.66Å; L25-I60 HydrophobicContact CD2-CD1 3.22Å; L25-I60 HydrophobicContact CD2-CG1 3.61Å; L25-I60 HydrophobicContact CD2-CG2 3.08Å; L25-I60 HydrophobicContact CG-CD1 3.96Å; L25-I60 HydrophobicContact CG-CG2 4.47Å
26	N	69.5	Low	66.8	Low	68 Å²	68	87.2 Å²	87.2	36%	0.364	42%	0.421	S	S	.	.	H	α-helix	trans	-57.7	-45.2	170.3	-85.5	-56.8	0	0	0	111.3	C22 Q23 Y28 L29 E30	C22-N26 WeakPolarHBondContact O-CB 3.45Å; C22-N26 PolarHBondContact O-N 2.78Å; C22-N26 PolarHBondContact O-ND2 3.37Å; Q23-N26 WeakPolarHBondContact O-CB 3.47Å; Q23-N26 PolarHBondContact O-N 3.36Å; Q23-N26 VanDerWaalsContact O-N 3.14Å; N26-Y28 VanDerWaalsContact C-N 3.32Å; N26-Y28 PolarHBondContact O-N 2.8Å; N26-L29 PolarHBondContact O-N 2.96Å; N26-E30 PolarHBondContact O-N 3.02Å
27	D	75.7	Confident	67.2	Low	93 Å²	93	86 Å²	86	50%	0.497	43%	0.429	S	S	.	.	H	α-helix	trans	-59.4	-42.4	175.3	-81.2	-8.1	0	0	0	112.1	Q23 L25 E30 Q31	Q23-D27 PolarHBondContact O-N 3.44Å; L25-D27 VanDerWaalsContact C-N 3.32Å; L25-D27 PolarHBondContact O-N 2.79Å; D27-E30 PolarHBondContact O-N 2.83Å; D27-Q31 WeakPolarHBondContact O-CG 3.36Å; D27-Q31 PolarHBondContact O-N 3.21Å; D27-Q31 PolarHBondContact O-NE2 3.21Å
28	Y	70	Confident	67.2	Low	132 Å²	132	92.1 Å²	92.1	52%	0.518	45%	0.446	S	S	.	.	H	α-helix	trans	-66	-42.3	177	-171.2	-107.5	0	0	0	111.6	R24 L25 N26 Q31 L32	R24-Y28 WeakPolarHBondContact O-CB 3.37Å; R24-Y28 PolarHBondContact O-N 3.28Å; L25-Y28 PolarHBondContact O-N 3.44Å; N26-Y28 VanDerWaalsContact C-N 3.32Å; N26-Y28 PolarHBondContact O-N 2.8Å; Y28-Q31 WeakPolarHBondContact O-CB 3.5Å; Y28-Q31 PolarHBondContact O-N 3.25Å; Y28-L32 HydrophobicContact CD1-CD1 3.64Å; Y28-L32 HydrophobicContact CD1-CG 4.2Å; Y28-L32 HydrophobicContact CE1-CD1 3.35Å; Y28-L32 HydrophobicContact CE1-CD2 4.43Å; Y28-L32 HydrophobicContact CE1-CG 3.95Å; Y28-L32 WeakPolarHBondContact O-CG 3.34Å; Y28-L32 PolarHBondContact O-N 2.86Å
29	L	68.5	Low	66.8	Low	7 Å²	7	91.5 Å²	91.5	4%	0.037	44%	0.442	C	S	.	.	H	α-helix	trans	-65.2	-38.3	176.8	-71.2	170.8	0	0	0	111.8	L25 N26 L32 K33 V57	L25-L29 HydrophobicContact CG-CD1 4.29Å; L25-L29 WeakPolarHBondContact O-CB 3.05Å; L25-L29 WeakPolarHBondContact O-CG 3.19Å; L25-L29 PolarHBondContact O-N 3.22Å; N26-L29 PolarHBondContact O-N 2.96Å; L29-L32 HydrophobicContact CD2-CD1 4.47Å; L29-L32 PolarHBondContact O-N 3.4Å; L29-K33 WeakPolarHBondContact O-CB 3.29Å; L29-K33 WeakPolarHBondContact O-CG 3.46Å; L29-K33 PolarHBondContact O-N 3.47Å; L29-V57 HydrophobicContact CB-CG2 4.23Å; L29-V57 HydrophobicContact CD1-CB 4Å; L29-V57 HydrophobicContact CD1-CG1 4.05Å; L29-V57 HydrophobicContact CD1-CG2 3.54Å; L29-V57 HydrophobicContact CD2-CG2 3.4Å; L29-V57 VanDerWaalsContact CD2-CG2 3.4Å; L29-V57 HydrophobicContact CG-CG2 3.88Å
30	E	72.4	Confident	66	Low	101 Å²	101	91.1 Å²	91.1	47%	0.472	45%	0.451	S	S	.	.	H	α-helix	trans	-63.9	-41.6	172.8	-79.2	-157.5	89.4	0	0	112.3	N26 D27 L32 K33 K34	N26-E30 PolarHBondContact O-N 3.02Å; D27-E30 PolarHBondContact O-N 2.83Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-K33 PolarHBondContact O-N 2.84Å; E30-K34 WeakPolarHBondContact O-CB 3.37Å; E30-K34 VanDerWaalsContact O-CG 3.29Å; E30-K34 WeakPolarHBondContact O-CG 3.24Å; E30-K34 PolarHBondContact O-N 2.93Å
31	Q	72.3	Confident	65.3	Low	118 Å²	118	91.5 Å²	91.5	55%	0.551	45%	0.453	S	S	*	.	H	α-helix	trans	-63.4	-41.5	174.8	-73.6	177.2	64.2	0	0	111.8	D27 Y28 K34 S35	D27-Q31 WeakPolarHBondContact O-CG 3.36Å; D27-Q31 PolarHBondContact O-N 3.21Å; D27-Q31 PolarHBondContact O-NE2 3.21Å; Y28-Q31 WeakPolarHBondContact O-CB 3.5Å; Y28-Q31 PolarHBondContact O-N 3.25Å; Q31-K34 PolarHBondContact O-N 2.93Å; Q31-S35 PolarHBondContact O-N 2.93Å; Q31-S35 PolarHBondContact O-OG 3.02Å
32	L	67.7	Low	64.8	Low	44 Å²	44	96.8 Å²	96.8	23%	0.23	48%	0.475	C	S	.	.	H	α-helix	trans	-67.8	-41.4	175.9	-71.9	175.8	0	0	0	111.9	Y28 L29 E30 K34 S35 C36 M53	Y28-L32 HydrophobicContact CD1-CD1 3.64Å; Y28-L32 HydrophobicContact CD1-CG 4.2Å; Y28-L32 HydrophobicContact CE1-CD1 3.35Å; Y28-L32 HydrophobicContact CE1-CD2 4.43Å; Y28-L32 HydrophobicContact CE1-CG 3.95Å; Y28-L32 WeakPolarHBondContact O-CG 3.34Å; Y28-L32 PolarHBondContact O-N 2.86Å; L29-L32 HydrophobicContact CD2-CD1 4.47Å; L29-L32 PolarHBondContact O-N 3.4Å; E30-L32 VanDerWaalsContact C-N 3.34Å; L32-K34 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 3.15Å; L32-S35 CarbonylContact O-C 3.59Å; L32-S35 WeakPolarHBondContact O-CA 3.28Å; L32-S35 WeakPolarHBondContact O-CB 3.5Å; L32-S35 PolarHBondContact O-N 3.41Å; L32-C36 PolarHBondContact O-N 3.47Å; L32-M53 HydrophobicContact CB-CE 3.32Å; L32-M53 HydrophobicContact CB-SD 4.08Å; L32-M53 HydrophobicContact CD1-CE 4.04Å; L32-M53 HydrophobicContact CD1-CG 4.46Å; L32-M53 HydrophobicContact CD1-SD 4.04Å; L32-M53 HydrophobicContact CG-CE 4.26Å; L32-M53 HydrophobicContact CG-SD 4.49Å
33	K	67.1	Low	64.2	Low	93 Å²	93	101.7 Å²	101.7	40%	0.404	50%	0.496	S	S	.	.	H	α-helix	trans	-58.9	-44.7	173.5	-78.9	175.6	-179.6	173.8	0	111.1	L29 E30 S35 C36 V37	L29-K33 WeakPolarHBondContact O-CB 3.29Å; L29-K33 WeakPolarHBondContact O-CG 3.46Å; L29-K33 PolarHBondContact O-N 3.47Å; E30-K33 PolarHBondContact O-N 2.84Å; K33-S35 PolarHBondContact O-N 3.38Å; K33-C36 PolarHBondContact O-N 3.11Å; K33-V37 WeakPolarHBondContact O-CG2 3.19Å; K33-V37 PolarHBondContact O-N 2.87Å
34	K	69.5	Low	63.4	Low	115 Å²	115	105.7 Å²	105.7	50%	0.5	51%	0.507	S	S	.	.	H	α-helix	trans	-61.3	-34.7	174.2	-73.4	169.1	-172.2	165.2	0	111.8	E30 Q31 L32 R38	E30-K34 WeakPolarHBondContact O-CB 3.37Å; E30-K34 VanDerWaalsContact O-CG 3.29Å; E30-K34 WeakPolarHBondContact O-CG 3.24Å; E30-K34 PolarHBondContact O-N 2.93Å; Q31-K34 PolarHBondContact O-N 2.93Å; L32-K34 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 3.15Å; K34-R38 WeakPolarHBondContact O-CB 3.38Å; K34-R38 WeakPolarHBondContact O-CG 3.13Å; K34-R38 PolarHBondContact O-N 3.16Å; K34-R38 VanDerWaalsContact O-N 3.16Å
35	S	66.4	Low	62.9	Low	64 Å²	64	102.5 Å²	102.5	45%	0.448	50%	0.503	S	S	.	.	H	α-helix	trans	-70.1	-46.8	174.9	-58	0	0	0	0	111.4	Q31 L32 K33 V37 R38 V39	Q31-S35 PolarHBondContact O-N 2.93Å; Q31-S35 PolarHBondContact O-OG 3.02Å; L32-S35 CarbonylContact O-C 3.59Å; L32-S35 WeakPolarHBondContact O-CA 3.28Å; L32-S35 WeakPolarHBondContact O-CB 3.5Å; L32-S35 PolarHBondContact O-N 3.41Å; K33-S35 PolarHBondContact O-N 3.38Å; S35-V37 PolarHBondContact O-N 3.42Å; S35-R38 PolarHBondContact O-N 3.38Å; S35-V39 WeakPolarHBondContact O-CG2 3.4Å; S35-V39 PolarHBondContact O-N 3.43Å
36	C	63.5	Low	62.5	Low	38 Å²	38	101.2 Å²	101.2	26%	0.257	50%	0.497	S	S	.	.	H	α-helix	trans	-53.7	-37	173.4	-81	0	0	0	0	112.3	L32 K33 C50	L32-C36 PolarHBondContact O-N 3.47Å; K33-C36 PolarHBondContact O-N 3.11Å; C36-C50 HydrophobicContact CB-CB 4.25Å; C36-C50 WeakPolarHBondContact CB-SG 3.26Å; C36-C50 WeakPolarHBondContact SG-CB 3.36Å; C36-C50 CovalentContact SG-SG 2.05Å; C36-C50 PolarHBondContact SG-SG 2.98Å
37	V	62.8	Low	62	Low	128 Å²	128	105 Å²	105	78%	0.776	51%	0.513	S	S	*	.	H	α-helix	trans	-77.8	-29.3	178.8	175.3	0	0	0	0	112.9	K33 S35	K33-V37 WeakPolarHBondContact O-CG2 3.19Å; K33-V37 PolarHBondContact O-N 2.87Å; S35-V37 PolarHBondContact O-N 3.42Å
38	R	59.9	Low	61.4	Low	205 Å²	205	105.5 Å²	105.5	77%	0.774	52%	0.515	S	S	*	.	H	α-helix	trans	-88.2	-20.6	-173.1	-82.5	-174.9	-161.8	-160.9	4.1	114.9	K34 S35 P40	K34-R38 WeakPolarHBondContact O-CB 3.38Å; K34-R38 WeakPolarHBondContact O-CG 3.13Å; K34-R38 PolarHBondContact O-N 3.16Å; K34-R38 VanDerWaalsContact O-N 3.16Å; S35-R38 PolarHBondContact O-N 3.38Å; R38-P40 VanDerWaalsContact O-CD 3.24Å; R38-P40 WeakPolarHBondContact O-CD 3.32Å
39	V	54	Low	61	Low	75 Å²	75	104.4 Å²	104.4	46%	0.455	52%	0.517	S	S	.	.			trans	-94.5	113.5	-177.9	-153.5	0	0	0	0	110.1	S35 I41	S35-V39 WeakPolarHBondContact O-CG2 3.4Å; S35-V39 PolarHBondContact O-N 3.43Å; V39-I41 HydrophobicContact CB-CD1 3.45Å; V39-I41 VanDerWaalsContact CB-CD1 3.45Å; V39-I41 HydrophobicContact CB-CG1 3.41Å; V39-I41 VanDerWaalsContact CB-CG1 3.41Å; V39-I41 HydrophobicContact CG1-CD1 3.41Å; V39-I41 VanDerWaalsContact CG1-CD1 3.41Å; V39-I41 HydrophobicContact CG1-CG1 3.1Å; V39-I41 HydrophobicContact CG2-CD1 4.12Å; V39-I41 PolarHBondContact O-N 2.79Å
40	P	47.2	Very low	60.8	Low	126 Å²	126	105.2 Å²	105.2	82%	0.818	52%	0.523	S	S	*	.			trans	-73.4	82.2	168.9	31.3	-32.3	0	0	0	107.9	R38	R38-P40 VanDerWaalsContact O-CD 3.24Å; R38-P40 WeakPolarHBondContact O-CD 3.32Å
41	I	49.5	Very low	60.5	Low	75 Å²	75	103.3 Å²	103.3	39%	0.385	52%	0.521	S	S	.	.			trans	-96	114.7	-173.6	-60.8	176.7	0	0	0	110.6	V39 H43 T46	V39-I41 HydrophobicContact CB-CD1 3.45Å; V39-I41 VanDerWaalsContact CB-CD1 3.45Å; V39-I41 HydrophobicContact CB-CG1 3.41Å; V39-I41 VanDerWaalsContact CB-CG1 3.41Å; V39-I41 HydrophobicContact CG1-CD1 3.41Å; V39-I41 VanDerWaalsContact CG1-CD1 3.41Å; V39-I41 HydrophobicContact CG1-CG1 3.1Å; V39-I41 HydrophobicContact CG2-CD1 4.12Å; V39-I41 PolarHBondContact O-N 2.79Å; I41-H43 HydrophobicContact CG2-CB 3.51Å; I41-H43 VanDerWaalsContact CG2-N 3.34Å; I41-H43 PolarHBondContact O-N 3.04Å; I41-T46 HydrophobicContact CB-CG2 4.32Å; I41-T46 WeakPolarHBondContact CB-OG1 3.4Å; I41-T46 HydrophobicContact CD1-CG2 3.66Å; I41-T46 WeakPolarHBondContact CD1-OG1 3.44Å; I41-T46 HydrophobicContact CG1-CG2 4.4Å; I41-T46 WeakPolarHBondContact CG2-OG1 3.47Å
42	Q	52.6	Low	60.2	Low	198 Å²	198	100.7 Å²	100.7	93%	0.925	52%	0.516	S	S	*	.			trans	-68	23.3	168.4	-68.5	-177.4	-12.8	0	0	114.1
43	H	52.7	Low	60	Low	123 Å²	123	100.1 Å²	100.1	57%	0.569	51%	0.513	S	S	*	.			trans	-132.3	118.6	-172	-89.6	-92.8	0	0	0	111.1	I41 D45 T46	I41-H43 HydrophobicContact CG2-CB 3.51Å; I41-H43 VanDerWaalsContact CG2-N 3.34Å; I41-H43 PolarHBondContact O-N 3.04Å; H43-D45 PolarHBondContact O-N 3.47Å; H43-T46 PolarHBondContact O-N 3.5Å
44	Y	52.2	Low	59.9	Low	197 Å²	197	99.5 Å²	99.5	77%	0.773	51%	0.514	S	S	*	.	H	α-helix	trans	-40.4	-28	170	-162	-103.2	0	0	0	114.2	T46 L48	Y44-T46 VanDerWaalsContact C-N 3.32Å; Y44-T46 PolarHBondContact O-N 3.31Å; Y44-L48 PolarHBondContact O-N 2.92Å
45	D	60.1	Low	59.8	Low	98 Å²	98	98.7 Å²	98.7	52%	0.524	52%	0.515	S	S	.	.	H	α-helix	trans	-61.6	-31.7	174.8	-73.4	-72.8	0	0	0	114.4	H43 L49	H43-D45 PolarHBondContact O-N 3.47Å; D45-L49 WeakPolarHBondContact O-CB 3.22Å; D45-L49 WeakPolarHBondContact O-CD1 3.19Å; D45-L49 WeakPolarHBondContact O-CG 3.48Å; D45-L49 PolarHBondContact O-N 2.88Å
46	T	58	Low	59.7	Low	27 Å²	27	100.1 Å²	100.1	17%	0.166	52%	0.517	C	S	.	.	H	α-helix	trans	-76.1	-39.7	-176.4	-53.7	0	0	0	0	111.6	I41 H43 Y44 L48 L49 C50	I41-T46 HydrophobicContact CB-CG2 4.32Å; I41-T46 WeakPolarHBondContact CB-OG1 3.4Å; I41-T46 HydrophobicContact CD1-CG2 3.66Å; I41-T46 WeakPolarHBondContact CD1-OG1 3.44Å; I41-T46 HydrophobicContact CG1-CG2 4.4Å; I41-T46 WeakPolarHBondContact CG2-OG1 3.47Å; H43-T46 PolarHBondContact O-N 3.5Å; Y44-T46 VanDerWaalsContact C-N 3.32Å; Y44-T46 PolarHBondContact O-N 3.31Å; T46-L48 VanDerWaalsContact C-N 3.3Å; T46-L48 PolarHBondContact O-N 3.23Å; T46-L49 PolarHBondContact O-N 2.87Å; T46-C50 WeakPolarHBondContact O-CB 3.37Å; T46-C50 PolarHBondContact O-N 3.43Å; T46-C50 PolarHBondContact O-SG 2.95Å
47	E	59.5	Low	59.8	Low	148 Å²	148	98.6 Å²	98.6	69%	0.692	51%	0.507	S	S	*	.	H	α-helix	trans	-64.1	-39.5	174.9	-65.9	-172.7	117.6	0	0	111	C50 S51	E47-C50 PolarHBondContact O-N 3.48Å; E47-S51 VanDerWaalsContact O-CB 3.28Å; E47-S51 WeakPolarHBondContact O-CB 3.48Å; E47-S51 PolarHBondContact O-N 3.44Å
48	L	63.5	Low	59.9	Low	103 Å²	103	97.9 Å²	97.9	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-47	173.7	-170.7	70.6	0	0	0	111.1	Y44 T46 S51 S52	Y44-L48 PolarHBondContact O-N 2.92Å; T46-L48 VanDerWaalsContact C-N 3.3Å; T46-L48 PolarHBondContact O-N 3.23Å; L48-S51 PolarHBondContact O-N 2.79Å; L48-S52 WeakPolarHBondContact O-CB 3.42Å; L48-S52 PolarHBondContact O-N 3.46Å; L48-S52 PolarHBondContact O-OG 3.45Å; L48-S52 VanDerWaalsContact O-OG 3.11Å
49	L	61.9	Low	60.2	Low	109 Å²	109	95.8 Å²	95.8	57%	0.571	49%	0.491	S	S	*	.	H	α-helix	trans	-60.5	-46.2	176.6	-75.7	166.8	0	0	0	111.8	D45 T46 S51 S52 M53	D45-L49 WeakPolarHBondContact O-CB 3.22Å; D45-L49 WeakPolarHBondContact O-CD1 3.19Å; D45-L49 WeakPolarHBondContact O-CG 3.48Å; D45-L49 PolarHBondContact O-N 2.88Å; T46-L49 PolarHBondContact O-N 2.87Å; L49-S51 VanDerWaalsContact C-N 3.32Å; L49-S51 PolarHBondContact O-N 3.27Å; L49-S52 PolarHBondContact O-N 2.82Å; L49-M53 VanDerWaalsContact O-CB 3.24Å; L49-M53 WeakPolarHBondContact O-CB 3.23Å; L49-M53 WeakPolarHBondContact O-CG 3.04Å; L49-M53 PolarHBondContact O-N 2.73Å
50	C	63.1	Low	60.6	Low	24 Å²	24	93.8 Å²	93.8	16%	0.162	48%	0.478	C	S	.	.	H	α-helix	trans	-67.7	-32.3	178.4	-57.1	0	0	0	0	111.7	C36 T46 E47 N54	C36-C50 HydrophobicContact CB-CB 4.25Å; C36-C50 WeakPolarHBondContact CB-SG 3.26Å; C36-C50 WeakPolarHBondContact SG-CB 3.36Å; C36-C50 CovalentContact SG-SG 2.05Å; C36-C50 PolarHBondContact SG-SG 2.98Å; T46-C50 WeakPolarHBondContact O-CB 3.37Å; T46-C50 PolarHBondContact O-N 3.43Å; T46-C50 PolarHBondContact O-SG 2.95Å; E47-C50 PolarHBondContact O-N 3.48Å; C50-N54 PolarHBondContact O-N 3.14Å; C50-N54 PolarHBondContact O-ND2 2.67Å
51	S	66.5	Low	61.4	Low	62 Å²	62	91.9 Å²	91.9	43%	0.434	46%	0.458	S	S	.	.	H	α-helix	trans	-69.6	-48.6	173.3	-175.3	0	0	0	0	112	E47 L48 L49 M53 N54 N55	E47-S51 VanDerWaalsContact O-CB 3.28Å; E47-S51 WeakPolarHBondContact O-CB 3.48Å; E47-S51 PolarHBondContact O-N 3.44Å; L48-S51 PolarHBondContact O-N 2.79Å; L49-S51 VanDerWaalsContact C-N 3.32Å; L49-S51 PolarHBondContact O-N 3.27Å; S51-M53 VanDerWaalsContact C-N 3.25Å; S51-M53 PolarHBondContact O-N 3.08Å; S51-N54 PolarHBondContact O-N 2.84Å; S51-N54 VanDerWaalsContact O-N 3.11Å; S51-N55 PolarHBondContact O-N 3.2Å
52	S	66.2	Low	62.2	Low	63 Å²	63	93.4 Å²	93.4	44%	0.441	47%	0.467	S	S	.	.	H	α-helix	trans	-58.7	-39.3	173.3	-65.7	0	0	0	0	111.5	L48 L49 N55 L56	L48-S52 WeakPolarHBondContact O-CB 3.42Å; L48-S52 PolarHBondContact O-N 3.46Å; L48-S52 PolarHBondContact O-OG 3.45Å; L48-S52 VanDerWaalsContact O-OG 3.11Å; L49-S52 PolarHBondContact O-N 2.82Å; S52-N55 PolarHBondContact O-N 3.42Å; S52-L56 WeakPolarHBondContact O-CB 3.1Å; S52-L56 PolarHBondContact O-N 3.23Å
53	M	63.4	Low	62.7	Low	32 Å²	32	86.5 Å²	86.5	16%	0.158	45%	0.449	C	S	.	.	H	α-helix	trans	-64.1	-43.2	173.5	-78.6	169.5	37.6	0	0	112.3	L32 L49 S51 N55 L56 V57	L32-M53 HydrophobicContact CB-CE 3.32Å; L32-M53 HydrophobicContact CB-SD 4.08Å; L32-M53 HydrophobicContact CD1-CE 4.04Å; L32-M53 HydrophobicContact CD1-CG 4.46Å; L32-M53 HydrophobicContact CD1-SD 4.04Å; L32-M53 HydrophobicContact CG-CE 4.26Å; L32-M53 HydrophobicContact CG-SD 4.49Å; L49-M53 VanDerWaalsContact O-CB 3.24Å; L49-M53 WeakPolarHBondContact O-CB 3.23Å; L49-M53 WeakPolarHBondContact O-CG 3.04Å; L49-M53 PolarHBondContact O-N 2.73Å; S51-M53 VanDerWaalsContact C-N 3.25Å; S51-M53 PolarHBondContact O-N 3.08Å; M53-N55 VanDerWaalsContact C-N 3.29Å; M53-N55 PolarHBondContact O-N 3.28Å; M53-L56 CarbonylContact O-C 3.51Å; M53-L56 WeakPolarHBondContact O-CB 3.48Å; M53-L56 PolarHBondContact O-N 2.9Å; M53-L56 VanDerWaalsContact O-N 3.15Å; M53-V57 WeakPolarHBondContact O-CG2 3.33Å; M53-V57 PolarHBondContact O-N 2.9Å
54	N	65.1	Low	63.1	Low	80 Å²	80	82.7 Å²	82.7	43%	0.428	44%	0.436	S	S	.	.	H	α-helix	trans	-62.5	-37.5	176.4	-79	-35.9	0	0	0	112.1	C50 S51 V57 Q58	C50-N54 PolarHBondContact O-N 3.14Å; C50-N54 PolarHBondContact O-ND2 2.67Å; S51-N54 PolarHBondContact O-N 2.84Å; S51-N54 VanDerWaalsContact O-N 3.11Å; N54-V57 PolarHBondContact O-N 3.25Å; N54-Q58 WeakPolarHBondContact O-CG 3.48Å; N54-Q58 PolarHBondContact O-N 3.25Å
55	N	67.4	Low	63.5	Low	97 Å²	97	81.3 Å²	81.3	52%	0.519	43%	0.434	S	S	.	.	H	α-helix	trans	-65.7	-40.2	173	-69	-22.1	0	0	0	111.6	S51 S52 M53 Q58 F59	S51-N55 PolarHBondContact O-N 3.2Å; S52-N55 PolarHBondContact O-N 3.42Å; M53-N55 VanDerWaalsContact C-N 3.29Å; M53-N55 PolarHBondContact O-N 3.28Å; N55-Q58 PolarHBondContact O-N 2.94Å; N55-F59 WeakPolarHBondContact O-CB 3.38Å; N55-F59 PolarHBondContact O-N 3.49Å
56	L	64.9	Low	63	Low	94 Å²	94	82.3 Å²	82.3	49%	0.492	44%	0.439	S	S	.	.	H	α-helix	trans	-63	-46.5	175.4	-159.2	105.1	0	0	0	110.6	S52 M53 Q58 F59 I60	S52-L56 WeakPolarHBondContact O-CB 3.1Å; S52-L56 PolarHBondContact O-N 3.23Å; M53-L56 CarbonylContact O-C 3.51Å; M53-L56 WeakPolarHBondContact O-CB 3.48Å; M53-L56 PolarHBondContact O-N 2.9Å; M53-L56 VanDerWaalsContact O-N 3.15Å; L56-Q58 VanDerWaalsContact C-N 3.32Å; L56-Q58 PolarHBondContact O-N 2.81Å; L56-F59 WeakPolarHBondContact O-CB 3.41Å; L56-F59 PolarHBondContact O-N 2.67Å; L56-F59 VanDerWaalsContact O-N 3.16Å; L56-I60 HydrophobicContact CB-CD1 4.5Å; L56-I60 HydrophobicContact CD2-CD1 3.48Å; L56-I60 VanDerWaalsContact CD2-CD1 3.48Å; L56-I60 HydrophobicContact CG-CD1 3.69Å; L56-I60 WeakPolarHBondContact O-CD1 2.9Å; L56-I60 VanDerWaalsContact O-CG1 3.23Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 2.95Å
57	V	64.3	Low	62.4	Low	7 Å²	7	85.8 Å²	85.8	4%	0.042	46%	0.462	C	S	.	.	H	α-helix	trans	-52.9	-50.9	175.3	176.1	0	0	0	0	109.8	L29 M53 N54 F59 I60 E61	L29-V57 HydrophobicContact CB-CG2 4.23Å; L29-V57 HydrophobicContact CD1-CB 4Å; L29-V57 HydrophobicContact CD1-CG1 4.05Å; L29-V57 HydrophobicContact CD1-CG2 3.54Å; L29-V57 HydrophobicContact CD2-CG2 3.4Å; L29-V57 VanDerWaalsContact CD2-CG2 3.4Å; L29-V57 HydrophobicContact CG-CG2 3.88Å; M53-V57 WeakPolarHBondContact O-CG2 3.33Å; M53-V57 PolarHBondContact O-N 2.9Å; N54-V57 PolarHBondContact O-N 3.25Å; V57-F59 PolarHBondContact O-N 3.47Å; V57-I60 PolarHBondContact O-N 3.18Å; V57-E61 HydrophobicContact CG1-CG 4.1Å; V57-E61 WeakPolarHBondContact O-CB 3.29Å; V57-E61 VanDerWaalsContact O-CG 3.3Å; V57-E61 WeakPolarHBondContact O-CG 3.3Å; V57-E61 PolarHBondContact O-N 3.19Å
58	Q	65.4	Low	61.5	Low	113 Å²	113	83 Å²	83	53%	0.528	46%	0.464	S	S	.	.	H	α-helix	trans	-64.5	-41.3	179.4	-73.6	-175.9	-0.8	0	0	112.7	N54 N55 L56 I60 E61 N62	N54-Q58 WeakPolarHBondContact O-CG 3.48Å; N54-Q58 PolarHBondContact O-N 3.25Å; N55-Q58 PolarHBondContact O-N 2.94Å; L56-Q58 VanDerWaalsContact C-N 3.32Å; L56-Q58 PolarHBondContact O-N 2.81Å; Q58-I60 VanDerWaalsContact C-N 3.26Å; Q58-I60 PolarHBondContact O-N 3.15Å; Q58-E61 PolarHBondContact O-N 3.39Å; Q58-N62 VanDerWaalsContact O-CB 3.29Å; Q58-N62 WeakPolarHBondContact O-CB 3.43Å; Q58-N62 PolarHBondContact O-N 2Å; Q58-N62 PolarHBondContact O-ND2 3.09Å
59	F	66.1	Low	60.3	Low	160 Å²	160	90.9 Å²	90.9	70%	0.702	50%	0.498	S	S	*	.	H	α-helix	trans	-59.5	-43.1	176.7	-176.6	-95.3	0	0	0	110.8	N55 L56 V57 G63	N55-F59 WeakPolarHBondContact O-CB 3.38Å; N55-F59 PolarHBondContact O-N 3.49Å; L56-F59 WeakPolarHBondContact O-CB 3.41Å; L56-F59 PolarHBondContact O-N 2.67Å; L56-F59 VanDerWaalsContact O-N 3.16Å; V57-F59 PolarHBondContact O-N 3.47Å; F59-G63 PolarHBondContact O-N 2.93Å
60	I	63.7	Low	60.2	Low	33 Å²	33	90 Å²	90	17%	0.169	50%	0.495	C	S	.	.	H	α-helix	trans	-77.8	-39.7	-179.8	-50.5	143.9	0	0	0	111.3	L25 L56 V57 Q58 N62 G63 C64	L25-I60 HydrophobicContact CD1-CD1 4.27Å; L25-I60 HydrophobicContact CD2-CB 3.66Å; L25-I60 HydrophobicContact CD2-CD1 3.22Å; L25-I60 HydrophobicContact CD2-CG1 3.61Å; L25-I60 HydrophobicContact CD2-CG2 3.08Å; L25-I60 HydrophobicContact CG-CD1 3.96Å; L25-I60 HydrophobicContact CG-CG2 4.47Å; L56-I60 HydrophobicContact CB-CD1 4.5Å; L56-I60 HydrophobicContact CD2-CD1 3.48Å; L56-I60 VanDerWaalsContact CD2-CD1 3.48Å; L56-I60 HydrophobicContact CG-CD1 3.69Å; L56-I60 WeakPolarHBondContact O-CD1 2.9Å; L56-I60 VanDerWaalsContact O-CG1 3.23Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 2.95Å; V57-I60 PolarHBondContact O-N 3.18Å; Q58-I60 VanDerWaalsContact C-N 3.26Å; Q58-I60 PolarHBondContact O-N 3.15Å; I60-N62 PolarHBondContact O-N 3.27Å; I60-G63 CarbonylContact O-C 3.52Å; I60-G63 PolarHBondContact O-N 3.37Å; I60-G63 VanDerWaalsContact O-N 3.08Å; I60-C64 WeakPolarHBondContact CG2-SG 2.99Å; I60-C64 WeakPolarHBondContact O-CA 3.25Å; I60-C64 WeakPolarHBondContact O-CB 3.34Å; I60-C64 PolarHBondContact O-N 3.01Å; I60-C64 PolarHBondContact O-SG 3.2Å
61	E	63.9	Low	60.1	Low	86 Å²	86	93.4 Å²	93.4	40%	0.402	51%	0.512	S	S	.	.	H	α-helix	trans	-57.7	-35.7	173	-77.8	-179	146	0	0	111.4	V57 Q58 K65	V57-E61 HydrophobicContact CG1-CG 4.1Å; V57-E61 WeakPolarHBondContact O-CB 3.29Å; V57-E61 VanDerWaalsContact O-CG 3.3Å; V57-E61 WeakPolarHBondContact O-CG 3.3Å; V57-E61 PolarHBondContact O-N 3.19Å; Q58-E61 PolarHBondContact O-N 3.39Å; E61-K65 WeakPolarHBondContact O-CB 3.24Å; E61-K65 VanDerWaalsContact O-CG 3.24Å; E61-K65 WeakPolarHBondContact O-CG 3.18Å; E61-K65 PolarHBondContact O-N 3.24Å
62	N	65.4	Low	59.7	Low	107 Å²	107	95.2 Å²	95.2	57%	0.572	52%	0.517	S	S	*	.	H	α-helix	trans	-72.5	-40.7	173.6	-68.8	-19.1	0	0	0	112	Q58 I60 C64 K65	Q58-N62 VanDerWaalsContact O-CB 3.29Å; Q58-N62 WeakPolarHBondContact O-CB 3.43Å; Q58-N62 PolarHBondContact O-N 2Å; Q58-N62 PolarHBondContact O-ND2 3.09Å; I60-N62 PolarHBondContact O-N 3.27Å; N62-C64 VanDerWaalsContact C-N 3.35Å; N62-K65 PolarHBondContact O-N 3.19Å
63	G	63.6	Low	59.3	Low	53 Å²	53	97.1 Å²	97.1	55%	0.546	52%	0.521	S	S	.	.	H	α-helix	trans	-70.7	-28.1	174.9	0	0	0	0	0	114.1	F59 I60	F59-G63 PolarHBondContact O-N 2.93Å; I60-G63 CarbonylContact O-C 3.52Å; I60-G63 PolarHBondContact O-N 3.37Å; I60-G63 VanDerWaalsContact O-N 3.08Å
64	C	61.4	Low	59.1	Low	44 Å²	44	101.1 Å²	101.1	30%	0.297	54%	0.544	S	S	.	.	H	α-helix	trans	-82.5	-18.1	175.1	-74.2	0	0	0	0	112.6	C22 I60 N62 D66	C22-C64 HydrophobicContact CB-CB 3.8Å; C22-C64 WeakPolarHBondContact CB-SG 3.34Å; C22-C64 VanDerWaalsContact SG-CA 3.52Å; C22-C64 WeakPolarHBondContact SG-CB 3.5Å; C22-C64 CovalentContact SG-SG 2Å; C22-C64 PolarHBondContact SG-SG 3.24Å; I60-C64 WeakPolarHBondContact CG2-SG 2.99Å; I60-C64 WeakPolarHBondContact O-CA 3.25Å; I60-C64 WeakPolarHBondContact O-CB 3.34Å; I60-C64 PolarHBondContact O-N 3.01Å; I60-C64 PolarHBondContact O-SG 3.2Å; N62-C64 VanDerWaalsContact C-N 3.35Å; C64-D66 VanDerWaalsContact C-N 3.3Å
65	K	60.2	Low	58.7	Low	168 Å²	168	102.5 Å²	102.5	73%	0.73	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	1.3	174.9	-89.5	-179.7	170.2	178.1	0	113.5	E61 N62	E61-K65 WeakPolarHBondContact O-CB 3.24Å; E61-K65 VanDerWaalsContact O-CG 3.24Å; E61-K65 WeakPolarHBondContact O-CG 3.18Å; E61-K65 PolarHBondContact O-N 3.24Å; N62-K65 PolarHBondContact O-N 3.19Å
66	D	50.4	Low	58	Low	119 Å²	119	102.9 Å²	102.9	64%	0.636	55%	0.554	S	S	*	*			trans	-130	82.4	-173.6	-129.7	-74.2	0	0	0	111.8	C64	C64-D66 VanDerWaalsContact C-N 3.3Å
67	P	45.1	Very low	57.5	Low	99 Å²	99	103.6 Å²	103.6	64%	0.643	56%	0.559	S	S	*	*	S	Bend	trans	-97.6	87.5	150	33.7	-22.7	0	0	0	107.5
68	A	39.2	Very low	57	Low	89 Å²	89	111.7 Å²	111.7	74%	0.736	60%	0.602	S	S	*	*			trans	51.1	95.5	160	0	0	0	0	0	117.3
69	E	39.3	Very low	56.2	Low	269 Å²	269	111.5 Å²	111.5	100%	1.257	61%	0.608	S	S	*	*			trans	-137.3	0	140	-82.9	-161.1	100	0	0	111.4

Retrieved 69 of 69 residues in 22.6 ms (Link to these results)

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