C4QPU3_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession C4QPU3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 81 aa.

						>C4QPU3_SCHMA|C4QPU3
MLMRIRTSSSNVCDLIETVLDFTVTEVEPAQSDMLCRAACWDQKITVYVLLLKFAKASYTIPHIFLIAEVAKMGFTELLLS
					

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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	24.5	Very low	30.4	Very low	237 Å²	237	141.7 Å²	141.7	100%	1.167	72%	0.723	S	S	*	*				0	90.9	0	-174.7	173.9	173	0	0	107.1	M3	M1-M3 PolarHBondContact O-N 2.9Å
2	L	23.8	Very low	31.1	Very low	180 Å²	180	135.5 Å²	135.5	94%	0.942	70%	0.696	S	S	*	*			trans	-81.5	115.2	-179	-75.6	163.4	0	0	0	108.3	R4	L2-R4 PolarHBondContact O-N 3.38Å
3	M	20.9	Very low	31.9	Very low	176 Å²	176	130.7 Å²	130.7	87%	0.867	68%	0.681	S	S	*	*			trans	-83.3	109.9	-178.4	-148	166.4	-174.7	0	0	108.1	M1 I5	M1-M3 PolarHBondContact O-N 2.9Å; M3-I5 PolarHBondContact O-N 3.25Å; M3-I5 VanDerWaalsContact O-N 3.14Å
4	R	25.1	Very low	32.7	Very low	195 Å²	195	126.8 Å²	126.8	74%	0.736	66%	0.661	S	S	*	*			trans	-72.3	102.3	178.6	-160.1	177.2	-165.6	172.7	4.9	108.1	L2 R6	L2-R4 PolarHBondContact O-N 3.38Å; R4-R6 PolarHBondContact O-N 3.25Å
5	I	25.6	Very low	33.4	Very low	141 Å²	141	125.2 Å²	125.2	72%	0.723	65%	0.653	S	S	*	*			trans	-71.8	100.7	171.8	-54.2	177.8	0	0	0	106.4	M3 T7	M3-I5 PolarHBondContact O-N 3.25Å; M3-I5 VanDerWaalsContact O-N 3.14Å; I5-T7 VanDerWaalsContact C-N 3.28Å; I5-T7 HydrophobicContact CG2-CG2 3.81Å; I5-T7 PolarHBondContact O-N 3.4Å
6	R	27.6	Very low	34.2	Very low	226 Å²	226	119.9 Å²	119.9	85%	0.853	63%	0.625	S	S	*	*			trans	-71.6	89.5	166.2	-76.8	-178	174.4	169.9	-1.5	107.1	R4 S8	R4-R6 PolarHBondContact O-N 3.25Å; R6-S8 PolarHBondContact O-N 3.02Å; R6-S8 VanDerWaalsContact O-N 3.15Å
7	T	33.8	Very low	34.8	Very low	66 Å²	66	120.4 Å²	120.4	41%	0.405	62%	0.624	S	S	.	*			trans	-74.2	100.7	164.3	45.4	0	0	0	0	107	I5 N11	I5-T7 VanDerWaalsContact C-N 3.28Å; I5-T7 HydrophobicContact CG2-CG2 3.81Å; I5-T7 PolarHBondContact O-N 3.4Å; T7-N11 HydrophobicContact CG2-CB 4.16Å
8	S	31	Very low	35.3	Very low	84 Å²	84	118 Å²	118	59%	0.587	62%	0.615	S	S	*	*			trans	-50.8	140.5	160.7	47.4	0	0	0	0	108.1	R6 S10 N11	R6-S8 PolarHBondContact O-N 3.02Å; R6-S8 VanDerWaalsContact O-N 3.15Å; S8-S10 PolarHBondContact O-N 3.16Å; S8-N11 WeakPolarHBondContact O-CB 3.33Å; S8-N11 PolarHBondContact O-N 3.29Å
9	S	41.8	Very low	35.8	Very low	108 Å²	108	115.3 Å²	115.3	76%	0.755	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.4	-23.5	-171.3	50.1	0	0	0	0	116.1	N11	S9-N11 VanDerWaalsContact C-N 3.32Å; S9-N11 PolarHBondContact O-N 2.99Å
10	S	38.2	Very low	36	Very low	82 Å²	82	110.7 Å²	110.7	57%	0.573	58%	0.58	S	S	*	*	H	α-helix	trans	-63.9	-30.6	171.7	-64.1	0	0	0	0	114.3	S8 V12 C13 D14	S8-S10 PolarHBondContact O-N 3.16Å; S10-V12 PolarHBondContact O-N 3.46Å; S10-C13 PolarHBondContact O-N 3.02Å; S10-D14 PolarHBondContact O-N 3.36Å
11	N	41.9	Very low	36.1	Very low	64 Å²	64	111 Å²	111	34%	0.342	58%	0.582	S	S	.	*	H	α-helix	trans	-84.4	-13.3	-169.8	-161.4	0.3	0	0	0	113.5	T7 S8 S9 C13 L15	T7-N11 HydrophobicContact CG2-CB 4.16Å; S8-N11 WeakPolarHBondContact O-CB 3.33Å; S8-N11 PolarHBondContact O-N 3.29Å; S9-N11 VanDerWaalsContact C-N 3.32Å; S9-N11 PolarHBondContact O-N 2.99Å; N11-C13 VanDerWaalsContact C-N 3.34Å; N11-L15 WeakPolarHBondContact O-CB 3.31Å; N11-L15 PolarHBondContact O-N 3.04Å
12	V	39.5	Very low	36.8	Very low	67 Å²	67	107.2 Å²	107.2	41%	0.406	56%	0.56	S	S	.	*	H	α-helix	trans	-71.2	-37.5	171.8	179.6	0	0	0	0	109.9	S10 L15 I16	S10-V12 PolarHBondContact O-N 3.46Å; V12-L15 PolarHBondContact O-N 2.93Å; V12-I16 HydrophobicContact CG1-CD1 3.98Å; V12-I16 HydrophobicContact CG1-CG1 4.47Å; V12-I16 WeakPolarHBondContact O-CB 3.46Å; V12-I16 VanDerWaalsContact O-CG1 3.26Å; V12-I16 WeakPolarHBondContact O-CG1 3.46Å; V12-I16 PolarHBondContact O-N 2.84Å
13	C	41.3	Very low	37.6	Very low	73 Å²	73	101 Å²	101	49%	0.493	53%	0.529	S	S	.	.	H	α-helix	trans	-64.3	-47.1	171.5	-66.3	0	0	0	0	110.4	S10 N11 L15 I16 E17	S10-C13 PolarHBondContact O-N 3.02Å; N11-C13 VanDerWaalsContact C-N 3.34Å; C13-L15 VanDerWaalsContact C-N 3.26Å; C13-L15 PolarHBondContact O-N 3.47Å; C13-I16 CarbonylContact O-C 3.39Å; C13-I16 PolarHBondContact O-N 3.02Å; C13-E17 VanDerWaalsContact O-CB 3.26Å; C13-E17 WeakPolarHBondContact O-CB 3.23Å; C13-E17 PolarHBondContact O-N 3.48Å
14	D	42.6	Very low	38.3	Very low	76 Å²	76	94.4 Å²	94.4	41%	0.406	50%	0.499	S	S	.	.	H	α-helix	trans	-59.6	-37.2	176.5	-55.8	-24.4	0	0	0	112	S10 T18	S10-D14 PolarHBondContact O-N 3.36Å; D14-T18 WeakPolarHBondContact O-CB 3.35Å; D14-T18 PolarHBondContact O-N 3.15Å; D14-T18 PolarHBondContact O-OG1 2.81Å
15	L	43.6	Very low	39.1	Very low	103 Å²	103	91.2 Å²	91.2	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-68.5	-44.6	176.3	-175.3	70.7	0	0	0	111.7	N11 V12 C13 E17 T18 V19	N11-L15 WeakPolarHBondContact O-CB 3.31Å; N11-L15 PolarHBondContact O-N 3.04Å; V12-L15 PolarHBondContact O-N 2.93Å; C13-L15 VanDerWaalsContact C-N 3.26Å; C13-L15 PolarHBondContact O-N 3.47Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-T18 PolarHBondContact O-N 2.8Å; L15-V19 VanDerWaalsContact O-CG2 3.27Å; L15-V19 WeakPolarHBondContact O-CG2 3.39Å; L15-V19 PolarHBondContact O-N 3.14Å
16	I	45.3	Very low	39.9	Very low	40 Å²	40	93.3 Å²	93.3	21%	0.205	51%	0.508	C	S	.	.	H	α-helix	trans	-65.2	-40.6	175.5	-69.9	168.9	0	0	0	109.9	V12 C13 V19 L20	V12-I16 HydrophobicContact CG1-CD1 3.98Å; V12-I16 HydrophobicContact CG1-CG1 4.47Å; V12-I16 WeakPolarHBondContact O-CB 3.46Å; V12-I16 VanDerWaalsContact O-CG1 3.26Å; V12-I16 WeakPolarHBondContact O-CG1 3.46Å; V12-I16 PolarHBondContact O-N 2.84Å; C13-I16 CarbonylContact O-C 3.39Å; C13-I16 PolarHBondContact O-N 3.02Å; I16-V19 PolarHBondContact O-N 3.49Å; I16-L20 HydrophobicContact CG2-CD1 3.71Å; I16-L20 HydrophobicContact CG2-CG 4.19Å; I16-L20 VanDerWaalsContact O-CB 3.26Å; I16-L20 WeakPolarHBondContact O-CB 2.84Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 3.23Å; I16-L20 PolarHBondContact O-N 2.85Å
17	E	44.6	Very low	40.2	Very low	129 Å²	129	84.2 Å²	84.2	60%	0.603	48%	0.477	S	S	*	.	H	α-helix	trans	-63.1	-45.5	176.1	-169	170.4	-168.7	0	0	109.9	C13 L15 V19 L20 D21	C13-E17 VanDerWaalsContact O-CB 3.26Å; C13-E17 WeakPolarHBondContact O-CB 3.23Å; C13-E17 PolarHBondContact O-N 3.48Å; L15-E17 VanDerWaalsContact C-N 3.33Å; E17-V19 PolarHBondContact O-N 2.99Å; E17-L20 CarbonylContact O-C 3.6Å; E17-L20 PolarHBondContact O-N 3.37Å; E17-D21 VanDerWaalsContact O-CB 3.26Å; E17-D21 WeakPolarHBondContact O-CB 3.48Å; E17-D21 PolarHBondContact O-N 2.95Å
18	T	45	Very low	40.5	Very low	77 Å²	77	88 Å²	88	47%	0.472	49%	0.49	S	S	.	.	H	α-helix	trans	-61	-42.8	175.1	-55.6	0	0	0	0	111.9	D14 L15 D21 F22	D14-T18 WeakPolarHBondContact O-CB 3.35Å; D14-T18 PolarHBondContact O-N 3.15Å; D14-T18 PolarHBondContact O-OG1 2.81Å; L15-T18 PolarHBondContact O-N 2.8Å; T18-D21 PolarHBondContact O-N 3.42Å; T18-F22 HydrophobicContact CG2-CD2 4.31Å; T18-F22 WeakPolarHBondContact O-CB 3.21Å; T18-F22 WeakPolarHBondContact O-CD2 3.46Å; T18-F22 PolarHBondContact O-N 2.82Å
19	V	43.3	Very low	41.1	Very low	66 Å²	66	89.4 Å²	89.4	40%	0.4	50%	0.497	S	S	.	.	H	α-helix	trans	-66.9	-40	176.8	171.2	0	0	0	0	110.9	L15 I16 E17 F22 T23	L15-V19 VanDerWaalsContact O-CG2 3.27Å; L15-V19 WeakPolarHBondContact O-CG2 3.39Å; L15-V19 PolarHBondContact O-N 3.14Å; I16-V19 PolarHBondContact O-N 3.49Å; E17-V19 PolarHBondContact O-N 2.99Å; V19-F22 WeakPolarHBondContact O-CB 3.33Å; V19-F22 PolarHBondContact O-N 2.89Å; V19-T23 PolarHBondContact O-N 3.33Å; V19-T23 PolarHBondContact O-OG1 3.25Å
20	L	39.8	Very low	41.1	Very low	23 Å²	23	88.1 Å²	88.1	12%	0.12	49%	0.493	C	S	.	.	H	α-helix	trans	-64.6	-47.6	175.5	-80.1	169.5	0	0	0	110.3	I16 E17 F22 T23 V24	I16-L20 HydrophobicContact CG2-CD1 3.71Å; I16-L20 HydrophobicContact CG2-CG 4.19Å; I16-L20 VanDerWaalsContact O-CB 3.26Å; I16-L20 WeakPolarHBondContact O-CB 2.84Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 3.23Å; I16-L20 PolarHBondContact O-N 2.85Å; E17-L20 CarbonylContact O-C 3.6Å; E17-L20 PolarHBondContact O-N 3.37Å; L20-F22 PolarHBondContact O-N 3.4Å; L20-T23 WeakPolarHBondContact CA-OG1 3.26Å; L20-T23 CarbonylContact O-C 3.56Å; L20-T23 WeakPolarHBondContact O-CA 3.42Å; L20-T23 PolarHBondContact O-N 3.44Å; L20-T23 PolarHBondContact O-OG1 3.49Å; L20-V24 WeakPolarHBondContact O-CB 3.15Å; L20-V24 WeakPolarHBondContact O-CG2 2.98Å; L20-V24 PolarHBondContact O-N 2.89Å
21	D	39.8	Very low	40.9	Very low	118 Å²	118	89.4 Å²	89.4	63%	0.631	49%	0.49	S	S	*	.	H	α-helix	trans	-59.3	-38.9	178.8	-147.4	32.3	0	0	0	110.6	E17 T18 T23 V24	E17-D21 VanDerWaalsContact O-CB 3.26Å; E17-D21 WeakPolarHBondContact O-CB 3.48Å; E17-D21 PolarHBondContact O-N 2.95Å; T18-D21 PolarHBondContact O-N 3.42Å; D21-T23 VanDerWaalsContact C-N 3.26Å; D21-T23 PolarHBondContact O-N 2.87Å; D21-V24 PolarHBondContact O-N 2.92Å
22	F	39.1	Very low	40.8	Very low	158 Å²	158	88.2 Å²	88.2	69%	0.693	49%	0.487	S	S	*	.	H	α-helix	trans	-62.8	-27.8	170.5	-105.5	-82.9	0	0	0	114.2	T18 V19 L20	T18-F22 HydrophobicContact CG2-CD2 4.31Å; T18-F22 WeakPolarHBondContact O-CB 3.21Å; T18-F22 WeakPolarHBondContact O-CD2 3.46Å; T18-F22 PolarHBondContact O-N 2.82Å; V19-F22 WeakPolarHBondContact O-CB 3.33Å; V19-F22 PolarHBondContact O-N 2.89Å; L20-F22 PolarHBondContact O-N 3.4Å
23	T	40.7	Very low	40.9	Very low	49 Å²	49	89 Å²	89	30%	0.301	49%	0.489	S	S	.	.	H	α-helix	trans	-93.7	-20.1	175.6	51	0	0	0	0	114.1	V19 L20 D21	V19-T23 PolarHBondContact O-N 3.33Å; V19-T23 PolarHBondContact O-OG1 3.25Å; L20-T23 WeakPolarHBondContact CA-OG1 3.26Å; L20-T23 CarbonylContact O-C 3.56Å; L20-T23 WeakPolarHBondContact O-CA 3.42Å; L20-T23 PolarHBondContact O-N 3.44Å; L20-T23 PolarHBondContact O-OG1 3.49Å; D21-T23 VanDerWaalsContact C-N 3.26Å; D21-T23 PolarHBondContact O-N 2.87Å
24	V	34.2	Very low	40.7	Very low	37 Å²	37	92.6 Å²	92.6	22%	0.224	50%	0.5	C	S	.	.	H	α-helix	trans	-89.1	-2.2	-170.6	172.3	0	0	0	0	112.8	L20 D21 E26 V27	L20-V24 WeakPolarHBondContact O-CB 3.15Å; L20-V24 WeakPolarHBondContact O-CG2 2.98Å; L20-V24 PolarHBondContact O-N 2.89Å; D21-V24 PolarHBondContact O-N 2.92Å; V24-E26 PolarHBondContact O-N 2.97Å; V24-V27 HydrophobicContact CG1-CB 4.47Å; V24-V27 HydrophobicContact CG2-CB 4.34Å; V24-V27 PolarHBondContact O-N 3.34Å; V24-V27 VanDerWaalsContact O-N 3.11Å
25	T	43.5	Very low	40.6	Very low	128 Å²	128	92.3 Å²	92.3	79%	0.785	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-13.9	167	37.8	0	0	0	0	113.8
26	E	40.4	Very low	40.5	Very low	186 Å²	186	90.3 Å²	90.3	87%	0.869	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	7.6	174.7	-59.6	-163.4	154.1	0	0	115	V24	V24-E26 PolarHBondContact O-N 2.97Å
27	V	35.7	Very low	40.1	Very low	35 Å²	35	96.1 Å²	96.1	21%	0.212	51%	0.512	C	S	.	.	S	Bend	trans	-111.9	116	-172.9	-178.5	0	0	0	0	110.3	V24 Q31 L35	V24-V27 HydrophobicContact CG1-CB 4.47Å; V24-V27 HydrophobicContact CG2-CB 4.34Å; V24-V27 PolarHBondContact O-N 3.34Å; V24-V27 VanDerWaalsContact O-N 3.11Å; V27-Q31 HydrophobicContact CG1-CB 3.45Å; V27-Q31 VanDerWaalsContact CG1-CB 3.45Å; V27-Q31 HydrophobicContact CG1-CG 4.47Å; V27-L35 HydrophobicContact CG1-CD1 4.23Å
28	E	38.8	Very low	39.8	Very low	145 Å²	145	92.4 Å²	92.4	68%	0.678	50%	0.503	S	S	*	.			trans	-53.8	145	178.5	-71.7	-173.6	134.6	0	0	112	A30 Q31 S32	E28-A30 PolarHBondContact O-N 3.4Å; E28-Q31 PolarHBondContact O-N 3.45Å; E28-S32 PolarHBondContact O-N 2.84Å
29	P	44.5	Very low	39.5	Very low	113 Å²	113	89.3 Å²	89.3	73%	0.734	49%	0.485	S	S	*	.	H	α-helix	trans	-54.3	-31.4	-171.6	-25.4	31.5	0	0	0	114.9	Q31 S32 D33	P29-Q31 VanDerWaalsContact C-N 3.31Å; P29-Q31 PolarHBondContact O-N 3.42Å; P29-S32 WeakPolarHBondContact O-CB 3.13Å; P29-S32 PolarHBondContact O-N 3.46Å; P29-D33 PolarHBondContact O-N 3.46Å
30	A	40.7	Very low	39.3	Very low	81 Å²	81	90.3 Å²	90.3	67%	0.669	49%	0.494	S	S	*	.	H	α-helix	trans	-67.4	-30.1	179	0	0	0	0	0	113.1	E28	E28-A30 PolarHBondContact O-N 3.4Å
31	Q	35.3	Very low	39.1	Very low	110 Å²	110	100.7 Å²	100.7	51%	0.514	53%	0.532	S	S	.	.	H	α-helix	trans	-79.2	-28.3	175.7	-68.3	-175	-6.4	0	0	111.5	V27 E28 P29 M34 L35	V27-Q31 HydrophobicContact CG1-CB 3.45Å; V27-Q31 VanDerWaalsContact CG1-CB 3.45Å; V27-Q31 HydrophobicContact CG1-CG 4.47Å; E28-Q31 PolarHBondContact O-N 3.45Å; P29-Q31 VanDerWaalsContact C-N 3.31Å; P29-Q31 PolarHBondContact O-N 3.42Å; Q31-M34 PolarHBondContact O-N 2.8Å; Q31-L35 VanDerWaalsContact O-CB 3.3Å; Q31-L35 WeakPolarHBondContact O-CB 3.27Å; Q31-L35 VanDerWaalsContact O-CG 3.27Å; Q31-L35 WeakPolarHBondContact O-CG 3.29Å; Q31-L35 PolarHBondContact O-N 3.16Å
32	S	38.4	Very low	39.1	Very low	39 Å²	39	99 Å²	99	27%	0.273	52%	0.523	S	S	.	.	H	α-helix	trans	-61	-46.1	174.6	-176.2	0	0	0	0	112.3	E28 P29 M34 L35 C36	E28-S32 PolarHBondContact O-N 2.84Å; P29-S32 WeakPolarHBondContact O-CB 3.13Å; P29-S32 PolarHBondContact O-N 3.46Å; S32-M34 PolarHBondContact O-N 3.49Å; S32-L35 PolarHBondContact O-N 3.48Å; S32-C36 WeakPolarHBondContact O-CB 3.39Å; S32-C36 PolarHBondContact O-N 2.84Å
33	D	43.2	Very low	39.2	Very low	84 Å²	84	96.3 Å²	96.3	45%	0.449	51%	0.512	S	S	.	.	H	α-helix	trans	-64	-40.5	179.2	-171.6	45.5	0	0	0	111.9	P29 C36 R37	P29-D33 PolarHBondContact O-N 3.46Å; D33-C36 PolarHBondContact O-N 3.45Å; D33-R37 WeakPolarHBondContact O-CG 3.36Å; D33-R37 PolarHBondContact O-N 2.72Å; D33-R37 IonicContact OD1-NE 3.51Å; D33-R37 IonicContact OD1-NH2 3.8Å; D33-R37 IonicContact OD2-CZ 3.31Å; D33-R37 VanDerWaalsContact OD2-CZ 3.31Å; D33-R37 IonicContact OD2-NE 3.2Å; D33-R37 PolarHBondContact OD2-NE 3.41Å; D33-R37 IonicContact OD2-NH2 2.83Å; D33-R37 PolarHBondContact OD2-NH2 2.73Å
34	M	37.1	Very low	39.4	Very low	147 Å²	147	100.2 Å²	100.2	72%	0.724	53%	0.525	S	S	*	.	H	α-helix	trans	-68.4	-40.2	177.1	-170	176.1	-96	0	0	111.8	Q31 S32 R37 A38	Q31-M34 PolarHBondContact O-N 2.8Å; S32-M34 PolarHBondContact O-N 3.49Å; M34-R37 PolarHBondContact O-N 2.94Å; M34-A38 VanDerWaalsContact O-CB 3.32Å; M34-A38 WeakPolarHBondContact O-CB 3.11Å; M34-A38 PolarHBondContact O-N 3.17Å
35	L	39.2	Very low	39.7	Very low	71 Å²	71	102.9 Å²	102.9	37%	0.372	54%	0.537	S	S	.	.	H	α-helix	trans	-65.6	-40.7	175.1	-78.4	167.6	0	0	0	111.9	V27 Q31 S32 A38 A39	V27-L35 HydrophobicContact CG1-CD1 4.23Å; Q31-L35 VanDerWaalsContact O-CB 3.3Å; Q31-L35 WeakPolarHBondContact O-CB 3.27Å; Q31-L35 VanDerWaalsContact O-CG 3.27Å; Q31-L35 WeakPolarHBondContact O-CG 3.29Å; Q31-L35 PolarHBondContact O-N 3.16Å; S32-L35 PolarHBondContact O-N 3.48Å; L35-A38 PolarHBondContact O-N 3.29Å; L35-A39 WeakPolarHBondContact O-CA 3.5Å; L35-A39 WeakPolarHBondContact O-CB 3.39Å; L35-A39 PolarHBondContact O-N 3.48Å
36	C	42.4	Very low	39.8	Very low	60 Å²	60	98.3 Å²	98.3	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-61.3	-44.2	174.5	-96.5	0	0	0	0	111.4	S32 D33 A39 C40	S32-C36 WeakPolarHBondContact O-CB 3.39Å; S32-C36 PolarHBondContact O-N 2.84Å; D33-C36 PolarHBondContact O-N 3.45Å; C36-A39 PolarHBondContact O-N 2.81Å; C36-C40 VanDerWaalsContact O-CB 3.29Å; C36-C40 WeakPolarHBondContact O-CB 3.17Å; C36-C40 PolarHBondContact O-N 2.81Å
37	R	37.3	Very low	40.2	Very low	163 Å²	163	92 Å²	92	62%	0.615	48%	0.483	S	S	*	.	H	α-helix	trans	-67.1	-42	177.1	-69.1	179.7	-164.4	-159.2	8.4	112.6	D33 M34 C40 W41	D33-R37 WeakPolarHBondContact O-CG 3.36Å; D33-R37 PolarHBondContact O-N 2.72Å; D33-R37 IonicContact OD1-NE 3.51Å; D33-R37 IonicContact OD1-NH2 3.8Å; D33-R37 IonicContact OD2-CZ 3.31Å; D33-R37 VanDerWaalsContact OD2-CZ 3.31Å; D33-R37 IonicContact OD2-NE 3.2Å; D33-R37 PolarHBondContact OD2-NE 3.41Å; D33-R37 IonicContact OD2-NH2 2.83Å; D33-R37 PolarHBondContact OD2-NH2 2.73Å; M34-R37 PolarHBondContact O-N 2.94Å; R37-C40 PolarHBondContact O-N 3.48Å; R37-W41 PolarHBondContact O-N 3.06Å
38	A	36.8	Very low	40.7	Very low	50 Å²	50	95.2 Å²	95.2	41%	0.413	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-41	176.2	0	0	0	0	0	111.7	M34 L35 C40 W41 D42	M34-A38 VanDerWaalsContact O-CB 3.32Å; M34-A38 WeakPolarHBondContact O-CB 3.11Å; M34-A38 PolarHBondContact O-N 3.17Å; L35-A38 PolarHBondContact O-N 3.29Å; A38-C40 VanDerWaalsContact C-N 3.3Å; A38-C40 PolarHBondContact O-N 3.45Å; A38-W41 PolarHBondContact O-N 3.47Å; A38-D42 PolarHBondContact O-N 2.87Å
39	A	38.9	Very low	41	Very low	12 Å²	12	91.6 Å²	91.6	10%	0.099	48%	0.48	C	S	.	.	H	α-helix	trans	-60.1	-42.7	171.7	0	0	0	0	0	110.2	L35 C36 W41 D42 Q43 T46	L35-A39 WeakPolarHBondContact O-CA 3.5Å; L35-A39 WeakPolarHBondContact O-CB 3.39Å; L35-A39 PolarHBondContact O-N 3.48Å; C36-A39 PolarHBondContact O-N 2.81Å; A39-W41 PolarHBondContact O-N 3.25Å; A39-D42 CarbonylContact O-C 3.6Å; A39-Q43 WeakPolarHBondContact O-CA 3.14Å; A39-Q43 WeakPolarHBondContact O-CB 3.39Å; A39-Q43 WeakPolarHBondContact O-CG 3.4Å; A39-Q43 PolarHBondContact O-N 2.74Å; A39-T46 HydrophobicContact CB-CG2 4.2Å
40	C	39.8	Very low	41.3	Very low	87 Å²	87	88.3 Å²	88.3	59%	0.588	46%	0.456	S	S	*	.	H	α-helix	trans	-68.3	-35	-177.9	-145.5	0	0	0	0	113.3	C36 R37 A38	C36-C40 VanDerWaalsContact O-CB 3.29Å; C36-C40 WeakPolarHBondContact O-CB 3.17Å; C36-C40 PolarHBondContact O-N 2.81Å; R37-C40 PolarHBondContact O-N 3.48Å; A38-C40 VanDerWaalsContact C-N 3.3Å; A38-C40 PolarHBondContact O-N 3.45Å
41	W	36.3	Very low	41.8	Very low	241 Å²	241	85.7 Å²	85.7	91%	0.913	43%	0.43	S	S	*	.	H	α-helix	trans	-84.1	-25	179.2	-89.3	63	0	0	0	114.2	R37 A38 A39	R37-W41 PolarHBondContact O-N 3.06Å; A38-W41 PolarHBondContact O-N 3.47Å; A39-W41 PolarHBondContact O-N 3.25Å
42	D	39	Very low	42.4	Very low	84 Å²	84	85.5 Å²	85.5	45%	0.449	43%	0.432	S	S	.	.	S	Bend	trans	-137	42	-175	-141.6	-7.5	0	0	0	111.7	A38 A39 K44 I45 T46	A38-D42 PolarHBondContact O-N 2.87Å; A39-D42 CarbonylContact O-C 3.6Å; D42-K44 PolarHBondContact O-N 3.02Å; D42-I45 PolarHBondContact O-N 3.46Å; D42-I45 WeakPolarHBondContact OD2-CD1 3.4Å; D42-T46 PolarHBondContact O-N 3.18Å
43	Q	41.4	Very low	42.9	Very low	100 Å²	100	90.9 Å²	90.9	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-44	-26.8	-173.6	-80.8	-175.3	-28.6	0	0	114.3	A39 V47	A39-Q43 WeakPolarHBondContact O-CA 3.14Å; A39-Q43 WeakPolarHBondContact O-CB 3.39Å; A39-Q43 WeakPolarHBondContact O-CG 3.4Å; A39-Q43 PolarHBondContact O-N 2.74Å; Q43-V47 WeakPolarHBondContact O-CG2 3.26Å
44	K	44.9	Very low	43.1	Very low	131 Å²	131	92.6 Å²	92.6	57%	0.57	46%	0.455	S	S	*	.	H	α-helix	trans	-75.8	-48.4	179.1	-65.4	174.8	-178.9	168.2	0	111.6	D42 Y48 F75	D42-K44 PolarHBondContact O-N 3.02Å; K44-Y48 VanDerWaalsContact O-CD2 3.25Å; K44-Y48 WeakPolarHBondContact O-CD2 3.25Å; K44-F75 HydrophobicContact CD-CE2 4.42Å
45	I	40.5	Very low	43.5	Very low	94 Å²	94	86.5 Å²	86.5	48%	0.482	43%	0.428	S	S	.	.	H	α-helix	trans	-70.4	-39.8	-173.7	-58	-172.2	0	0	0	110.7	D42 V47 Y48 V49	D42-I45 PolarHBondContact O-N 3.46Å; D42-I45 WeakPolarHBondContact OD2-CD1 3.4Å; I45-V47 PolarHBondContact O-N 3.47Å; I45-Y48 PolarHBondContact O-N 2.91Å; I45-V49 HydrophobicContact CG2-CG2 4.02Å; I45-V49 WeakPolarHBondContact O-CG2 3.37Å; I45-V49 PolarHBondContact O-N 3.48Å
46	T	45.7	Very low	43.7	Very low	32 Å²	32	91.6 Å²	91.6	20%	0.196	45%	0.447	C	S	.	.	H	α-helix	trans	-64.4	-40.4	-175.8	-53.7	0	0	0	0	112.3	A39 D42 Y48 V49 L50	A39-T46 HydrophobicContact CB-CG2 4.2Å; D42-T46 PolarHBondContact O-N 3.18Å; T46-Y48 PolarHBondContact O-N 2.89Å; T46-V49 PolarHBondContact O-N 2.98Å; T46-L50 HydrophobicContact CG2-CD1 3.9Å; T46-L50 HydrophobicContact CG2-CG 4.26Å; T46-L50 WeakPolarHBondContact O-CB 3.49Å; T46-L50 VanDerWaalsContact O-CG 3.27Å; T46-L50 WeakPolarHBondContact O-CG 3.46Å; T46-L50 PolarHBondContact O-N 3.21Å
47	V	48.7	Very low	44	Very low	53 Å²	53	92.6 Å²	92.6	32%	0.321	46%	0.459	S	S	.	.	H	α-helix	trans	-61.8	-44.9	175	175.2	0	0	0	0	110.6	Q43 I45 V49 L50 L51	Q43-V47 WeakPolarHBondContact O-CG2 3.26Å; I45-V47 PolarHBondContact O-N 3.47Å; V47-V49 PolarHBondContact O-N 3.48Å; V47-L50 PolarHBondContact O-N 3.42Å; V47-L51 HydrophobicContact CG1-CD1 3.73Å; V47-L51 HydrophobicContact CG1-CG 4.35Å; V47-L51 WeakPolarHBondContact O-CB 3.27Å; V47-L51 WeakPolarHBondContact O-CD1 3.36Å; V47-L51 WeakPolarHBondContact O-CG 3.26Å; V47-L51 PolarHBondContact O-N 3.42Å
48	Y	46.4	Very low	44.4	Very low	103 Å²	103	86.9 Å²	86.9	40%	0.404	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-44.4	176.5	-84.2	-76.4	0	0	0	112.6	K44 I45 T46 L51 L52 A68	K44-Y48 VanDerWaalsContact O-CD2 3.25Å; K44-Y48 WeakPolarHBondContact O-CD2 3.25Å; I45-Y48 PolarHBondContact O-N 2.91Å; T46-Y48 PolarHBondContact O-N 2.89Å; Y48-L51 PolarHBondContact O-N 3.35Å; Y48-L52 WeakPolarHBondContact O-CB 3.39Å; Y48-L52 VanDerWaalsContact O-CG 3.27Å; Y48-L52 WeakPolarHBondContact O-CG 3.34Å; Y48-L52 PolarHBondContact O-N 3.32Å; Y48-A68 HydrophobicContact CE1-CB 4.36Å
49	V	45.4	Very low	45	Very low	68 Å²	68	94.4 Å²	94.4	41%	0.412	46%	0.463	S	S	.	.	H	α-helix	trans	-67.3	-41.5	-179.6	174.4	0	0	0	0	111.5	I45 T46 V47 L52 K53	I45-V49 HydrophobicContact CG2-CG2 4.02Å; I45-V49 WeakPolarHBondContact O-CG2 3.37Å; I45-V49 PolarHBondContact O-N 3.48Å; T46-V49 PolarHBondContact O-N 2.98Å; V47-V49 PolarHBondContact O-N 3.48Å; V49-L52 PolarHBondContact O-N 3.4Å; V49-K53 PolarHBondContact O-N 2.99Å
50	L	50.2	Low	45.3	Very low	44 Å²	44	96.1 Å²	96.1	23%	0.23	47%	0.473	C	S	.	.	H	α-helix	trans	-62.2	-45.8	176	-74.8	171.3	0	0	0	111	T46 V47 L52 K53 F54	T46-L50 HydrophobicContact CG2-CD1 3.9Å; T46-L50 HydrophobicContact CG2-CG 4.26Å; T46-L50 WeakPolarHBondContact O-CB 3.49Å; T46-L50 VanDerWaalsContact O-CG 3.27Å; T46-L50 WeakPolarHBondContact O-CG 3.46Å; T46-L50 PolarHBondContact O-N 3.21Å; V47-L50 PolarHBondContact O-N 3.42Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 3.31Å; L50-K53 PolarHBondContact O-N 3.49Å; L50-F54 WeakPolarHBondContact O-CB 3.32Å; L50-F54 PolarHBondContact O-N 3.48Å
51	L	50.4	Low	45.4	Very low	27 Å²	27	97.3 Å²	97.3	14%	0.141	47%	0.472	C	S	.	.	H	α-helix	trans	-61	-43	176.6	-70	168	0	0	0	112	V47 Y48 F54 A55 I64 I67	V47-L51 HydrophobicContact CG1-CD1 3.73Å; V47-L51 HydrophobicContact CG1-CG 4.35Å; V47-L51 WeakPolarHBondContact O-CB 3.27Å; V47-L51 WeakPolarHBondContact O-CD1 3.36Å; V47-L51 WeakPolarHBondContact O-CG 3.26Å; V47-L51 PolarHBondContact O-N 3.42Å; Y48-L51 PolarHBondContact O-N 3.35Å; L51-F54 PolarHBondContact O-N 3.49Å; L51-A55 PolarHBondContact O-N 3.04Å; L51-I64 WeakPolarHBondContact O-CG1 3.38Å; L51-I67 HydrophobicContact CD1-CB 4.13Å; L51-I67 HydrophobicContact CD1-CG2 3.37Å; L51-I67 HydrophobicContact CD2-CB 3.99Å; L51-I67 HydrophobicContact CD2-CD1 3.53Å; L51-I67 HydrophobicContact CD2-CG1 4.33Å; L51-I67 HydrophobicContact CD2-CG2 3.6Å; L51-I67 HydrophobicContact CG-CG2 4.13Å
52	L	48.9	Very low	45.8	Very low	106 Å²	106	90.1 Å²	90.1	56%	0.555	46%	0.456	S	S	*	.	H	α-helix	trans	-65	-40.3	177.7	-76.1	167	0	0	0	112.5	Y48 V49 L50 F54 A55 K56	Y48-L52 WeakPolarHBondContact O-CB 3.39Å; Y48-L52 VanDerWaalsContact O-CG 3.27Å; Y48-L52 WeakPolarHBondContact O-CG 3.34Å; Y48-L52 PolarHBondContact O-N 3.32Å; V49-L52 PolarHBondContact O-N 3.4Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 3.31Å; L52-F54 VanDerWaalsContact C-N 3.34Å; L52-A55 VanDerWaalsContact O-CB 3.28Å; L52-A55 WeakPolarHBondContact O-CB 3.37Å; L52-A55 PolarHBondContact O-N 3.4Å; L52-K56 PolarHBondContact O-N 3.32Å; L52-K56 VanDerWaalsContact O-N 3.15Å
53	K	48.8	Very low	45.8	Very low	151 Å²	151	91.6 Å²	91.6	66%	0.657	46%	0.46	S	S	*	.	H	α-helix	trans	-63.8	-42	173.3	-78.4	-173.1	177.1	-177.9	0	111	V49 L50 A55 K56 A57	V49-K53 PolarHBondContact O-N 2.99Å; L50-K53 PolarHBondContact O-N 3.49Å; K53-A55 VanDerWaalsContact C-N 3.33Å; K53-A55 PolarHBondContact O-N 3.47Å; K53-K56 PolarHBondContact O-N 2.81Å; K53-A57 WeakPolarHBondContact O-CB 3.45Å; K53-A57 PolarHBondContact O-N 2.83Å
54	F	47.7	Very low	46	Very low	121 Å²	121	87.9 Å²	87.9	53%	0.531	44%	0.444	S	S	.	.	H	α-helix	trans	-64.7	-36.4	176.9	-151.7	-90.6	0	0	0	112.1	L50 L51 L52 K56 A57 S58	L50-F54 WeakPolarHBondContact O-CB 3.32Å; L50-F54 PolarHBondContact O-N 3.48Å; L51-F54 PolarHBondContact O-N 3.49Å; L52-F54 VanDerWaalsContact C-N 3.34Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 3.2Å; F54-A57 PolarHBondContact O-N 2.75Å; F54-S58 WeakPolarHBondContact O-CB 3.27Å; F54-S58 PolarHBondContact O-N 2.72Å; F54-S58 PolarHBondContact O-OG 3.26Å
55	A	44.9	Very low	45.8	Very low	19 Å²	19	88.8 Å²	88.8	16%	0.157	45%	0.448	C	S	.	.	H	α-helix	trans	-54.9	-48.9	171.2	0	0	0	0	0	112.1	L51 L52 K53 A57 Y59 I64	L51-A55 PolarHBondContact O-N 3.04Å; L52-A55 VanDerWaalsContact O-CB 3.28Å; L52-A55 WeakPolarHBondContact O-CB 3.37Å; L52-A55 PolarHBondContact O-N 3.4Å; K53-A55 VanDerWaalsContact C-N 3.33Å; K53-A55 PolarHBondContact O-N 3.47Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-Y59 PolarHBondContact O-N 3.17Å; A55-I64 HydrophobicContact CB-CB 4.3Å; A55-I64 HydrophobicContact CB-CD1 3.16Å; A55-I64 HydrophobicContact CB-CG1 3.54Å
56	K	43.5	Very low	46.1	Very low	178 Å²	178	89.3 Å²	89.3	77%	0.774	45%	0.451	S	S	*	.	H	α-helix	trans	-68.9	-38.2	-176.9	-165.8	177.4	179.6	-178.4	0	110.9	L52 K53 F54	L52-K56 PolarHBondContact O-N 3.32Å; L52-K56 VanDerWaalsContact O-N 3.15Å; K53-K56 PolarHBondContact O-N 2.81Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 3.2Å
57	A	49	Very low	46.3	Very low	81 Å²	81	91.3 Å²	91.3	67%	0.669	46%	0.46	S	S	*	.	H	α-helix	trans	-71.4	-38.2	179.4	0	0	0	0	0	112.8	K53 F54 A55	K53-A57 WeakPolarHBondContact O-CB 3.45Å; K53-A57 PolarHBondContact O-N 2.83Å; F54-A57 PolarHBondContact O-N 2.75Å; A55-A57 VanDerWaalsContact C-N 3.34Å
58	S	45.5	Very low	46.4	Very low	43 Å²	43	90.1 Å²	90.1	30%	0.301	46%	0.455	S	S	.	.	H	α-helix	trans	-99.4	-6.7	-170.6	64.8	0	0	0	0	114.4	F54 T60	F54-S58 WeakPolarHBondContact O-CB 3.27Å; F54-S58 PolarHBondContact O-N 2.72Å; F54-S58 PolarHBondContact O-OG 3.26Å; S58-T60 WeakPolarHBondContact CB-OG1 3.34Å; S58-T60 PolarHBondContact O-N 3.2Å; S58-T60 PolarHBondContact O-OG1 3.41Å; S58-T60 PolarHBondContact OG-OG1 2.9Å
59	Y	49.6	Very low	46.3	Very low	208 Å²	208	90.2 Å²	90.2	82%	0.816	46%	0.46	S	S	*	.			trans	53.5	7.5	-169	-73.3	-91.4	0	0	0	114.3	A55 I61	A55-Y59 PolarHBondContact O-N 3.17Å; Y59-I61 VanDerWaalsContact C-N 3.3Å; Y59-I61 PolarHBondContact O-N 3.45Å
60	T	44.4	Very low	46.5	Very low	48 Å²	48	91.6 Å²	91.6	29%	0.294	47%	0.468	S	S	.	.			trans	-90.2	67.2	-174.4	-5	0	0	0	0	110.5	S58 H63 I64	S58-T60 WeakPolarHBondContact CB-OG1 3.34Å; S58-T60 PolarHBondContact O-N 3.2Å; S58-T60 PolarHBondContact O-OG1 3.41Å; S58-T60 PolarHBondContact OG-OG1 2.9Å; T60-H63 WeakPolarHBondContact CG2-CD2 3.25Å; T60-H63 PolarHBondContact O-N 3.43Å; T60-I64 VanDerWaalsContact O-CD1 3.25Å; T60-I64 WeakPolarHBondContact O-CD1 3.28Å
61	I	42.7	Very low	46.5	Very low	112 Å²	112	91.1 Å²	91.1	57%	0.574	47%	0.47	S	S	*	.	H	α-helix	trans	-46.6	-38.9	173.5	-60.4	171.8	0	0	0	113.4	Y59 H63 I64 F65	Y59-I61 VanDerWaalsContact C-N 3.3Å; Y59-I61 PolarHBondContact O-N 3.45Å; I61-H63 VanDerWaalsContact C-N 3.32Å; I61-H63 PolarHBondContact O-N 2.88Å; I61-I64 PolarHBondContact O-N 3.02Å; I61-F65 HydrophobicContact CG2-CD2 3.88Å; I61-F65 HydrophobicContact CG2-CE2 3.89Å; I61-F65 PolarHBondContact O-N 3.37Å
62	P	43.5	Very low	46	Very low	90 Å²	90	96.3 Å²	96.3	58%	0.584	49%	0.492	S	S	*	.	H	α-helix	trans	-62.9	-35.3	-177	-21.8	32.5	0	0	0	113.7	I64 F65 L66	P62-I64 VanDerWaalsContact C-N 3.34Å; P62-I64 PolarHBondContact O-N 3.29Å; P62-F65 PolarHBondContact O-N 2.91Å; P62-L66 PolarHBondContact O-N 3.15Å; P62-L66 VanDerWaalsContact O-N 3.16Å
63	H	40	Very low	45.8	Very low	114 Å²	114	96.5 Å²	96.5	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-71.6	-31.4	-176.7	-67.8	-53.1	0	0	0	112	T60 I61 L66 I67	T60-H63 WeakPolarHBondContact CG2-CD2 3.25Å; T60-H63 PolarHBondContact O-N 3.43Å; I61-H63 VanDerWaalsContact C-N 3.32Å; I61-H63 PolarHBondContact O-N 2.88Å; H63-L66 PolarHBondContact O-N 3.33Å; H63-I67 WeakPolarHBondContact O-CD1 3.42Å; H63-I67 WeakPolarHBondContact O-CG1 3.27Å; H63-I67 PolarHBondContact O-N 2.94Å
64	I	44.8	Very low	45.7	Very low	23 Å²	23	91 Å²	91	12%	0.118	48%	0.478	C	S	.	.	H	α-helix	trans	-74.6	-37.5	177.9	-71.1	93.7	0	0	0	111.6	L51 A55 T60 I61 P62 L66 I67 A68	L51-I64 WeakPolarHBondContact O-CG1 3.38Å; A55-I64 HydrophobicContact CB-CB 4.3Å; A55-I64 HydrophobicContact CB-CD1 3.16Å; A55-I64 HydrophobicContact CB-CG1 3.54Å; T60-I64 VanDerWaalsContact O-CD1 3.25Å; T60-I64 WeakPolarHBondContact O-CD1 3.28Å; I61-I64 PolarHBondContact O-N 3.02Å; P62-I64 VanDerWaalsContact C-N 3.34Å; P62-I64 PolarHBondContact O-N 3.29Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.36Å; I64-I67 PolarHBondContact O-N 3.45Å; I64-A68 WeakPolarHBondContact O-CB 3.26Å; I64-A68 PolarHBondContact O-N 2.75Å
65	F	42	Very low	45.1	Very low	149 Å²	149	89.5 Å²	89.5	65%	0.654	47%	0.471	S	S	*	.	H	α-helix	trans	-60.1	-46	172.3	-90.7	-82.5	0	0	0	111.1	I61 P62 I67 A68 E69	I61-F65 HydrophobicContact CG2-CD2 3.88Å; I61-F65 HydrophobicContact CG2-CE2 3.89Å; I61-F65 PolarHBondContact O-N 3.37Å; P62-F65 PolarHBondContact O-N 2.91Å; F65-I67 PolarHBondContact O-N 3.31Å; F65-A68 PolarHBondContact O-N 2.83Å; F65-E69 WeakPolarHBondContact O-CB 3.49Å; F65-E69 PolarHBondContact O-N 3.46Å
66	L	46.6	Very low	44.7	Very low	106 Å²	106	91.8 Å²	91.8	56%	0.555	48%	0.483	S	S	*	.	H	α-helix	trans	-61.2	-45.9	178.4	-162.1	83.7	0	0	0	111.6	P62 H63 I64 E69 V70	P62-L66 PolarHBondContact O-N 3.15Å; P62-L66 VanDerWaalsContact O-N 3.16Å; H63-L66 PolarHBondContact O-N 3.33Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.36Å; L66-E69 PolarHBondContact O-N 2.96Å; L66-V70 WeakPolarHBondContact O-CB 3.34Å; L66-V70 VanDerWaalsContact O-CG2 3.23Å; L66-V70 WeakPolarHBondContact O-CG2 3.34Å; L66-V70 PolarHBondContact O-N 3.32Å
67	I	49.6	Very low	44.5	Very low	73 Å²	73	89 Å²	89	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-70.8	-41.4	-178.1	-60.1	161.8	0	0	0	111.2	L51 H63 I64 F65 E69 V70 A71	L51-I67 HydrophobicContact CD1-CB 4.13Å; L51-I67 HydrophobicContact CD1-CG2 3.37Å; L51-I67 HydrophobicContact CD2-CB 3.99Å; L51-I67 HydrophobicContact CD2-CD1 3.53Å; L51-I67 HydrophobicContact CD2-CG1 4.33Å; L51-I67 HydrophobicContact CD2-CG2 3.6Å; L51-I67 HydrophobicContact CG-CG2 4.13Å; H63-I67 WeakPolarHBondContact O-CD1 3.42Å; H63-I67 WeakPolarHBondContact O-CG1 3.27Å; H63-I67 PolarHBondContact O-N 2.94Å; I64-I67 PolarHBondContact O-N 3.45Å; F65-I67 PolarHBondContact O-N 3.31Å; I67-E69 VanDerWaalsContact C-N 3.3Å; I67-E69 PolarHBondContact O-N 3.3Å; I67-V70 PolarHBondContact O-N 2.77Å; I67-A71 WeakPolarHBondContact O-CB 3.1Å; I67-A71 PolarHBondContact O-N 3.41Å
68	A	50.8	Low	43.6	Very low	28 Å²	28	91.1 Å²	91.1	23%	0.231	47%	0.472	C	S	.	.	H	α-helix	trans	-64.2	-37.2	175.8	0	0	0	0	0	111.6	Y48 I64 F65 A71 K72	Y48-A68 HydrophobicContact CE1-CB 4.36Å; I64-A68 WeakPolarHBondContact O-CB 3.26Å; I64-A68 PolarHBondContact O-N 2.75Å; F65-A68 PolarHBondContact O-N 2.83Å; A68-A71 PolarHBondContact O-N 3.44Å; A68-K72 VanDerWaalsContact O-CB 3.23Å; A68-K72 WeakPolarHBondContact O-CB 3.41Å; A68-K72 PolarHBondContact O-N 3.28Å
69	E	44.9	Very low	42.8	Very low	106 Å²	106	94.6 Å²	94.6	50%	0.495	49%	0.487	S	S	.	.	H	α-helix	trans	-67.3	-44.1	175.4	-168.8	175.1	-166.1	0	0	111.3	F65 L66 I67 A71 K72 M73	F65-E69 WeakPolarHBondContact O-CB 3.49Å; F65-E69 PolarHBondContact O-N 3.46Å; L66-E69 PolarHBondContact O-N 2.96Å; I67-E69 VanDerWaalsContact C-N 3.3Å; I67-E69 PolarHBondContact O-N 3.3Å; E69-A71 PolarHBondContact O-N 3.44Å; E69-K72 PolarHBondContact O-N 3.27Å; E69-M73 HydrophobicContact CG-CE 4.01Å; E69-M73 WeakPolarHBondContact O-CB 3.27Å; E69-M73 WeakPolarHBondContact O-CG 3.3Å; E69-M73 PolarHBondContact O-N 3.45Å
70	V	48.7	Very low	42.4	Very low	96 Å²	96	91.9 Å²	91.9	58%	0.582	49%	0.486	S	S	*	.	H	α-helix	trans	-61.2	-43.6	173.6	170.7	0	0	0	0	111.1	L66 I67 K72 M73 G74	L66-V70 WeakPolarHBondContact O-CB 3.34Å; L66-V70 VanDerWaalsContact O-CG2 3.23Å; L66-V70 WeakPolarHBondContact O-CG2 3.34Å; L66-V70 PolarHBondContact O-N 3.32Å; I67-V70 PolarHBondContact O-N 2.77Å; V70-K72 PolarHBondContact O-N 2.82Å; V70-M73 PolarHBondContact O-N 2.88Å; V70-G74 PolarHBondContact O-N 2.9Å
71	A	50	Low	42.2	Very low	34 Å²	34	97 Å²	97	28%	0.281	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-40.9	176.3	0	0	0	0	0	111.8	I67 A68 E69 F75	I67-A71 WeakPolarHBondContact O-CB 3.1Å; I67-A71 PolarHBondContact O-N 3.41Å; A68-A71 PolarHBondContact O-N 3.44Å; E69-A71 PolarHBondContact O-N 3.44Å; A71-F75 WeakPolarHBondContact O-CB 3.05Å; A71-F75 PolarHBondContact O-N 3.31Å
72	K	41.3	Very low	42.2	Very low	137 Å²	137	96.3 Å²	96.3	60%	0.596	52%	0.521	S	S	*	.	H	α-helix	trans	-68.2	-40.7	177.1	-172.4	-176.7	177.9	-174.6	0	112.4	A68 E69 V70 F75 T76	A68-K72 VanDerWaalsContact O-CB 3.23Å; A68-K72 WeakPolarHBondContact O-CB 3.41Å; A68-K72 PolarHBondContact O-N 3.28Å; E69-K72 PolarHBondContact O-N 3.27Å; V70-K72 PolarHBondContact O-N 2.82Å; K72-F75 PolarHBondContact O-N 3.43Å; K72-T76 PolarHBondContact O-N 3.25Å; K72-T76 PolarHBondContact O-OG1 2.89Å
73	M	43.9	Very low	42.1	Very low	109 Å²	109	96.6 Å²	96.6	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-64.3	-47.6	175.9	-76.1	-174.5	-179.3	0	0	110.7	E69 V70 F75 T76 E77	E69-M73 HydrophobicContact CG-CE 4.01Å; E69-M73 WeakPolarHBondContact O-CB 3.27Å; E69-M73 WeakPolarHBondContact O-CG 3.3Å; E69-M73 PolarHBondContact O-N 3.45Å; V70-M73 PolarHBondContact O-N 2.88Å; M73-F75 PolarHBondContact O-N 2.99Å; M73-T76 PolarHBondContact O-N 2.78Å; M73-T76 VanDerWaalsContact O-N 3.16Å; M73-E77 PolarHBondContact O-N 2.7Å
74	G	45.7	Very low	42.2	Very low	37 Å²	37	95.6 Å²	95.6	38%	0.381	52%	0.517	S	S	.	.	H	α-helix	trans	-57.7	-38.3	174.5	0	0	0	0	0	112.4	V70 L78	V70-G74 PolarHBondContact O-N 2.9Å; G74-L78 WeakPolarHBondContact O-CB 3.5Å; G74-L78 PolarHBondContact O-N 3.07Å
75	F	35.5	Very low	42.1	Very low	88 Å²	88	99.9 Å²	99.9	39%	0.386	54%	0.54	S	S	.	.	H	α-helix	trans	-68.4	-40.3	176.6	-173.5	-104.3	0	0	0	113.4	K44 A71 K72 M73 L78 L79	K44-F75 HydrophobicContact CD-CE2 4.42Å; A71-F75 WeakPolarHBondContact O-CB 3.05Å; A71-F75 PolarHBondContact O-N 3.31Å; K72-F75 PolarHBondContact O-N 3.43Å; M73-F75 PolarHBondContact O-N 2.99Å; F75-L78 PolarHBondContact O-N 2.94Å; F75-L79 HydrophobicContact CD1-CD1 3.86Å; F75-L79 HydrophobicContact CD1-CG 4.41Å; F75-L79 HydrophobicContact CE1-CD1 3.25Å; F75-L79 HydrophobicContact CE1-CG 4.02Å; F75-L79 HydrophobicContact CE2-CD1 4.47Å; F75-L79 HydrophobicContact CE2-CG 4.46Å; F75-L79 HydrophobicContact CZ-CD1 3.62Å; F75-L79 HydrophobicContact CZ-CD2 4.36Å; F75-L79 HydrophobicContact CZ-CG 4.05Å; F75-L79 PolarHBondContact O-N 3.2Å
76	T	37.4	Very low	42.1	Very low	67 Å²	67	96.8 Å²	96.8	41%	0.411	53%	0.533	S	S	.	.	H	α-helix	trans	-69.1	-40.3	179.7	-49.9	0	0	0	0	110.8	K72 M73 L78 L79 L80	K72-T76 PolarHBondContact O-N 3.25Å; K72-T76 PolarHBondContact O-OG1 2.89Å; M73-T76 PolarHBondContact O-N 2.78Å; M73-T76 VanDerWaalsContact O-N 3.16Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L79 PolarHBondContact O-N 2.91Å; T76-L80 HydrophobicContact CG2-CD1 4.14Å; T76-L80 VanDerWaalsContact O-CG 3.31Å; T76-L80 WeakPolarHBondContact O-CG 3.37Å; T76-L80 PolarHBondContact O-N 3.11Å
77	E	38.3	Very low	41.8	Very low	120 Å²	120	96.2 Å²	96.2	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-64.4	-38.3	173.5	-72.5	-170.3	171.5	0	0	112	M73 L80 S81	M73-E77 PolarHBondContact O-N 2.7Å; E77-L80 PolarHBondContact O-N 3.44Å; E77-S81 PolarHBondContact O-N 2.91Å; E77-S81 PolarHBondContact O-OG 2.99Å
78	L	31.5	Very low	41.3	Very low	125 Å²	125	97.9 Å²	97.9	65%	0.654	54%	0.543	S	S	*	.	H	α-helix	trans	-70.6	-32.2	179.1	-158.5	104.8	0	0	0	113.1	G74 F75 T76 L80	G74-L78 WeakPolarHBondContact O-CB 3.5Å; G74-L78 PolarHBondContact O-N 3.07Å; F75-L78 PolarHBondContact O-N 2.94Å; T76-L78 VanDerWaalsContact C-N 3.34Å; L78-L80 VanDerWaalsContact C-N 3.35Å
79	L	27.6	Very low	40.5	Very low	117 Å²	117	103.2 Å²	103.2	61%	0.613	57%	0.567	S	S	*	*	H	α-helix	trans	-76.2	-22.8	175.4	-76.8	-179.7	0	0	0	113.4	F75 T76	F75-L79 HydrophobicContact CD1-CD1 3.86Å; F75-L79 HydrophobicContact CD1-CG 4.41Å; F75-L79 HydrophobicContact CE1-CD1 3.25Å; F75-L79 HydrophobicContact CE1-CG 4.02Å; F75-L79 HydrophobicContact CE2-CD1 4.47Å; F75-L79 HydrophobicContact CE2-CG 4.46Å; F75-L79 HydrophobicContact CZ-CD1 3.62Å; F75-L79 HydrophobicContact CZ-CD2 4.36Å; F75-L79 HydrophobicContact CZ-CG 4.05Å; F75-L79 PolarHBondContact O-N 3.2Å; T76-L79 PolarHBondContact O-N 2.91Å
80	L	40.6	Very low	40.2	Very low	150 Å²	150	103 Å²	103	79%	0.785	57%	0.573	S	S	*	*	H	α-helix	trans	-93	-6.2	179.7	-68.4	174.2	0	0	0	113.5	T76 E77 L78	T76-L80 HydrophobicContact CG2-CD1 4.14Å; T76-L80 VanDerWaalsContact O-CG 3.31Å; T76-L80 WeakPolarHBondContact O-CG 3.37Å; T76-L80 PolarHBondContact O-N 3.11Å; E77-L80 PolarHBondContact O-N 3.44Å; L78-L80 VanDerWaalsContact C-N 3.35Å
81	S	41.5	Very low	39.4	Very low	156 Å²	156	103.6 Å²	103.6	100%	1.091	57%	0.572	S	S	*	*			trans	-99.2	0	176	-57.2	0	0	0	0	111.1	E77	E77-S81 PolarHBondContact O-N 2.91Å; E77-S81 PolarHBondContact O-OG 2.99Å

Retrieved 81 of 81 residues in 19.1 ms (Link to these results)

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