G4LZH7_SCHMA Loading...

THAP-type domain-containing protein

AlphaFold DB , UniProt , Accession G4LZH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 104 aa.

						>G4LZH7_SCHMA|G4LZH7
MDSSVTDISVVQSKHRHASIILCSFPVLRAFFKKKYEYLRSLFQLAYGYIRNRWIARKSMWASCCQRHVLSLSNHTNNRVESARKHLKECLKRSGPLPLTFWKI
					

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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	34.9	Very low	48.7	Very low	233 Å²	233	88.1 Å²	88.1	100%	1.148	51%	0.508	S	S	*	.				0	125.1	0	-81.9	177.6	170	0	0	107.8	S3	M1-S3 PolarHBondContact O-N 3.17Å
2	D	37.8	Very low	49.1	Very low	120 Å²	120	88 Å²	88	64%	0.642	50%	0.499	S	S	*	.			trans	-70.5	108.7	-176.4	-147.1	-5	0	0	0	108	S4 V5	D2-S4 PolarHBondContact O-N 3.14Å; D2-S4 PolarHBondContact OD1-OG 2.89Å; D2-V5 HydrophobicContact CB-CG2 4.13Å; D2-V5 PolarHBondContact O-N 3.45Å
3	S	46	Very low	50	Low	84 Å²	84	88.7 Å²	88.7	59%	0.587	51%	0.513	S	S	*	.	H	α-helix	trans	-55	-28.3	-171.2	77.3	0	0	0	0	112.4	M1 V5 T6 D7	M1-S3 PolarHBondContact O-N 3.17Å; S3-V5 VanDerWaalsContact C-N 3.32Å; S3-V5 PolarHBondContact O-N 2.93Å; S3-T6 PolarHBondContact O-N 3.43Å; S3-D7 PolarHBondContact O-N 3.43Å; S3-D7 VanDerWaalsContact O-N 3.11Å
4	S	48.5	Very low	50.7	Low	38 Å²	38	93.5 Å²	93.5	27%	0.266	53%	0.525	S	S	.	.	H	α-helix	trans	-55.4	-40	174.9	56	0	0	0	0	113.4	D2 I8	D2-S4 PolarHBondContact O-N 3.14Å; D2-S4 PolarHBondContact OD1-OG 2.89Å; S4-I8 VanDerWaalsContact O-CB 3.26Å; S4-I8 WeakPolarHBondContact O-CB 3.29Å; S4-I8 VanDerWaalsContact O-CD1 3.22Å; S4-I8 WeakPolarHBondContact O-CD1 3.42Å; S4-I8 WeakPolarHBondContact O-CG1 3.42Å; S4-I8 PolarHBondContact O-N 3.36Å
5	V	49.4	Very low	50.9	Low	86 Å²	86	93 Å²	93	52%	0.521	52%	0.517	S	S	.	.	H	α-helix	trans	-72.8	-40.5	-174.1	178.3	0	0	0	0	111.1	D2 S3 S9	D2-V5 HydrophobicContact CB-CG2 4.13Å; D2-V5 PolarHBondContact O-N 3.45Å; S3-V5 VanDerWaalsContact C-N 3.32Å; S3-V5 PolarHBondContact O-N 2.93Å; V5-S9 WeakPolarHBondContact O-CB 3.26Å; V5-S9 PolarHBondContact O-N 2.78Å; V5-S9 VanDerWaalsContact O-N 3.09Å; V5-S9 PolarHBondContact O-OG 3.2Å
6	T	54.7	Low	51.1	Low	81 Å²	81	101.8 Å²	101.8	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-65.4	-45.9	175.4	-46	0	0	0	0	110.4	S3 I8 S9 V10	S3-T6 PolarHBondContact O-N 3.43Å; T6-I8 PolarHBondContact O-N 3.33Å; T6-S9 PolarHBondContact O-N 2.99Å; T6-V10 WeakPolarHBondContact O-CG2 3.38Å; T6-V10 PolarHBondContact O-N 2.94Å
7	D	49.8	Very low	50.8	Low	97 Å²	97	105.2 Å²	105.2	52%	0.519	55%	0.551	S	S	.	*	H	α-helix	trans	-64.3	-40.8	179.6	-67	-24.2	0	0	0	112.1	S3 S9 V10 V11	S3-D7 PolarHBondContact O-N 3.43Å; S3-D7 VanDerWaalsContact O-N 3.11Å; D7-S9 PolarHBondContact O-N 2.8Å; D7-V10 PolarHBondContact O-N 3.38Å; D7-V11 WeakPolarHBondContact O-CB 3.39Å; D7-V11 VanDerWaalsContact O-CG2 3.24Å; D7-V11 WeakPolarHBondContact O-CG2 3.39Å; D7-V11 PolarHBondContact O-N 2.87Å
8	I	50.9	Low	50.7	Low	50 Å²	50	99.5 Å²	99.5	26%	0.256	52%	0.522	S	S	.	.	H	α-helix	trans	-60.2	-44.9	174.8	-75.6	163.5	0	0	0	110.8	S4 T6 V11 Q12 L22	S4-I8 VanDerWaalsContact O-CB 3.26Å; S4-I8 WeakPolarHBondContact O-CB 3.29Å; S4-I8 VanDerWaalsContact O-CD1 3.22Å; S4-I8 WeakPolarHBondContact O-CD1 3.42Å; S4-I8 WeakPolarHBondContact O-CG1 3.42Å; S4-I8 PolarHBondContact O-N 3.36Å; T6-I8 PolarHBondContact O-N 3.33Å; I8-V11 PolarHBondContact O-N 3.44Å; I8-Q12 HydrophobicContact CG2-CG 4.32Å; I8-Q12 WeakPolarHBondContact O-CB 3.45Å; I8-Q12 VanDerWaalsContact O-CG 3.27Å; I8-Q12 WeakPolarHBondContact O-CG 3.48Å; I8-Q12 PolarHBondContact O-N 2.88Å; I8-L22 HydrophobicContact CB-CD1 4.2Å; I8-L22 HydrophobicContact CG1-CD1 4.04Å; I8-L22 HydrophobicContact CG1-CD2 4.01Å; I8-L22 HydrophobicContact CG1-CG 4.49Å; I8-L22 HydrophobicContact CG2-CD1 4Å
9	S	57.4	Low	50.3	Low	65 Å²	65	97.2 Å²	97.2	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-67.4	-38.4	-178.3	-59.2	0	0	0	0	112.1	V5 T6 D7 S13	V5-S9 WeakPolarHBondContact O-CB 3.26Å; V5-S9 PolarHBondContact O-N 2.78Å; V5-S9 VanDerWaalsContact O-N 3.09Å; V5-S9 PolarHBondContact O-OG 3.2Å; T6-S9 PolarHBondContact O-N 2.99Å; D7-S9 PolarHBondContact O-N 2.8Å; S9-S13 WeakPolarHBondContact O-CB 3.06Å; S9-S13 PolarHBondContact O-N 3.39Å; S9-S13 PolarHBondContact O-OG 3.34Å
10	V	59.5	Low	50	Low	69 Å²	69	94.7 Å²	94.7	42%	0.418	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-41.4	174.2	172.8	0	0	0	0	111.3	T6 D7 S13 K14	T6-V10 WeakPolarHBondContact O-CG2 3.38Å; T6-V10 PolarHBondContact O-N 2.94Å; D7-V10 PolarHBondContact O-N 3.38Å; V10-S13 WeakPolarHBondContact CA-OG 3.4Å; V10-S13 PolarHBondContact O-OG 3.44Å; V10-K14 PolarHBondContact O-N 2.84Å
11	V	47.1	Very low	49.8	Very low	46 Å²	46	93.4 Å²	93.4	28%	0.279	49%	0.494	S	S	.	.	H	α-helix	trans	-70.7	-38.5	178.9	169.2	0	0	0	0	111.5	D7 I8 H15 A18 L22	D7-V11 WeakPolarHBondContact O-CB 3.39Å; D7-V11 VanDerWaalsContact O-CG2 3.24Å; D7-V11 WeakPolarHBondContact O-CG2 3.39Å; D7-V11 PolarHBondContact O-N 2.87Å; I8-V11 PolarHBondContact O-N 3.44Å; V11-H15 WeakPolarHBondContact O-CB 3.14Å; V11-H15 PolarHBondContact O-N 3.31Å; V11-A18 HydrophobicContact CG1-CB 3.37Å; V11-L22 HydrophobicContact CB-CD1 4.14Å; V11-L22 HydrophobicContact CG1-CD1 3.8Å; V11-L22 HydrophobicContact CG1-CG 4.36Å
12	Q	53.5	Low	50.5	Low	87 Å²	87	84.3 Å²	84.3	41%	0.407	45%	0.45	S	S	.	.	H	α-helix	trans	-69.6	-36.1	176.8	-75.7	179	-12.4	0	0	112.9	I8 H15 L22	I8-Q12 HydrophobicContact CG2-CG 4.32Å; I8-Q12 WeakPolarHBondContact O-CB 3.45Å; I8-Q12 VanDerWaalsContact O-CG 3.27Å; I8-Q12 WeakPolarHBondContact O-CG 3.48Å; I8-Q12 PolarHBondContact O-N 2.88Å; Q12-H15 CarbonylContact O-C 3.45Å; Q12-L22 HydrophobicContact CG-CD1 4.16Å
13	S	60.8	Low	51.1	Low	97 Å²	97	81.3 Å²	81.3	68%	0.678	44%	0.437	S	S	*	.	H	α-helix	trans	-69.4	-34.4	176.8	56.2	0	0	0	0	112.8	S9 V10	S9-S13 WeakPolarHBondContact O-CB 3.06Å; S9-S13 PolarHBondContact O-N 3.39Å; S9-S13 PolarHBondContact O-OG 3.34Å; V10-S13 WeakPolarHBondContact CA-OG 3.4Å; V10-S13 PolarHBondContact O-OG 3.44Å
14	K	59.6	Low	51.4	Low	156 Å²	156	78.9 Å²	78.9	68%	0.678	42%	0.421	S	S	*	.	H	α-helix	trans	-82.4	-28	175.7	-70.9	-175.1	177.6	-177.4	0	113.6	V10	V10-K14 PolarHBondContact O-N 2.84Å
15	H	53.4	Low	51.7	Low	86 Å²	86	83.1 Å²	83.1	40%	0.398	44%	0.435	S	S	.	.			trans	-138.6	97.6	-175.4	-56.3	-71.5	0	0	0	110.2	V11 Q12 H17 A18	V11-H15 WeakPolarHBondContact O-CB 3.14Å; V11-H15 PolarHBondContact O-N 3.31Å; Q12-H15 CarbonylContact O-C 3.45Å; H15-H17 PolarHBondContact O-N 3.41Å; H15-A18 HydrophobicContact CB-CB 3.62Å; H15-A18 WeakPolarHBondContact O-CB 3.38Å; H15-A18 PolarHBondContact O-N 3.22Å
16	R	53.7	Low	52	Low	234 Å²	234	80.6 Å²	80.6	88%	0.883	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-23.9	174.7	-102.2	-178.5	174.6	175	-1.2	113.8
17	H	47.6	Very low	52	Low	159 Å²	159	78.5 Å²	78.5	74%	0.736	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-2.9	-179.4	-58.3	-67.8	0	0	0	114.9	H15 S19	H15-H17 PolarHBondContact O-N 3.41Å; H17-S19 VanDerWaalsContact C-N 3.26Å; H17-S19 PolarHBondContact O-N 3.07Å
18	A	47.6	Very low	52.3	Low	3 Å²	3	75.1 Å²	75.1	3%	0.025	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.2	-177.8	0	0	0	0	0	114.2	V11 H15 I20 I21 L22	V11-A18 HydrophobicContact CG1-CB 3.37Å; H15-A18 HydrophobicContact CB-CB 3.62Å; H15-A18 WeakPolarHBondContact O-CB 3.38Å; H15-A18 PolarHBondContact O-N 3.22Å; A18-I20 PolarHBondContact O-N 3.24Å; A18-I21 PolarHBondContact O-N 3.37Å; A18-L22 WeakPolarHBondContact O-CG 3.48Å; A18-L22 PolarHBondContact O-N 3.44Å; A18-L22 VanDerWaalsContact O-N 3.08Å
19	S	43.6	Very low	52.6	Low	56 Å²	56	80.2 Å²	80.2	39%	0.392	40%	0.404	S	S	.	.	H	α-helix	trans	-59.3	-33.2	176.9	71.6	0	0	0	0	112.9	H17 C23	H17-S19 VanDerWaalsContact C-N 3.26Å; H17-S19 PolarHBondContact O-N 3.07Å; S19-C23 PolarHBondContact O-N 3.35Å
20	I	43.9	Very low	52.5	Low	46 Å²	46	78.4 Å²	78.4	24%	0.236	39%	0.393	C	S	.	.	H	α-helix	trans	-73.5	-36.5	-177.2	-54.3	179.8	0	0	0	111	A18 C23 S24 N77 V80	A18-I20 PolarHBondContact O-N 3.24Å; I20-C23 WeakPolarHBondContact O-CB 3.27Å; I20-C23 PolarHBondContact O-N 3.47Å; I20-S24 PolarHBondContact O-N 3.42Å; I20-S24 PolarHBondContact O-OG 3.38Å; I20-N77 VanDerWaalsContact CD1-OD1 3.3Å; I20-N77 WeakPolarHBondContact CD1-OD1 3.5Å; I20-V80 HydrophobicContact CG2-CB 4.34Å; I20-V80 HydrophobicContact CG2-CG1 3.46Å; I20-V80 VanDerWaalsContact CG2-CG1 3.46Å
21	I	47.1	Very low	52.2	Low	68 Å²	68	75.4 Å²	75.4	35%	0.349	38%	0.375	S	S	.	.	H	α-helix	trans	-73	-40.6	178.8	-64.2	167.9	0	0	0	109.7	A18 C23 S24 F25 L70	A18-I21 PolarHBondContact O-N 3.37Å; I21-C23 PolarHBondContact O-N 3.45Å; I21-S24 PolarHBondContact O-N 3Å; I21-S24 VanDerWaalsContact O-N 3.16Å; I21-F25 PolarHBondContact O-N 2.91Å; I21-L70 HydrophobicContact CD1-CD1 3.37Å; I21-L70 HydrophobicContact CD1-CD2 3.63Å; I21-L70 HydrophobicContact CD1-CG 4.1Å
22	L	48.8	Very low	52.6	Low	43 Å²	43	77.1 Å²	77.1	23%	0.225	38%	0.379	C	S	.	.	H	α-helix	trans	-67.5	-18.4	171.4	-68.6	169.7	0	0	0	113.5	I8 V11 Q12 A18 P26	I8-L22 HydrophobicContact CB-CD1 4.2Å; I8-L22 HydrophobicContact CG1-CD1 4.04Å; I8-L22 HydrophobicContact CG1-CD2 4.01Å; I8-L22 HydrophobicContact CG1-CG 4.49Å; I8-L22 HydrophobicContact CG2-CD1 4Å; V11-L22 HydrophobicContact CB-CD1 4.14Å; V11-L22 HydrophobicContact CG1-CD1 3.8Å; V11-L22 HydrophobicContact CG1-CG 4.36Å; Q12-L22 HydrophobicContact CG-CD1 4.16Å; A18-L22 WeakPolarHBondContact O-CG 3.48Å; A18-L22 PolarHBondContact O-N 3.44Å; A18-L22 VanDerWaalsContact O-N 3.08Å; L22-P26 WeakPolarHBondContact O-CD 2.72Å; L22-P26 WeakPolarHBondContact O-CG 3.35Å
23	C	50.7	Low	52.9	Low	56 Å²	56	80.9 Å²	80.9	38%	0.378	39%	0.394	S	S	.	.	H	α-helix	trans	-77.2	-30.3	171.7	-175.6	0	0	0	0	111.6	S19 I20 I21 V27	S19-C23 PolarHBondContact O-N 3.35Å; I20-C23 WeakPolarHBondContact O-CB 3.27Å; I20-C23 PolarHBondContact O-N 3.47Å; I21-C23 PolarHBondContact O-N 3.45Å; C23-V27 WeakPolarHBondContact O-CG2 3.22Å
24	S	53	Low	52.6	Low	34 Å²	34	84.9 Å²	84.9	24%	0.238	40%	0.399	C	S	.	.	H	α-helix	trans	-82	-34.6	-176.9	-52.8	0	0	0	0	112.2	I20 I21 L28	I20-S24 PolarHBondContact O-N 3.42Å; I20-S24 PolarHBondContact O-OG 3.38Å; I21-S24 PolarHBondContact O-N 3Å; I21-S24 VanDerWaalsContact O-N 3.16Å; S24-L28 WeakPolarHBondContact O-CB 3.09Å; S24-L28 WeakPolarHBondContact O-CG 3.19Å; S24-L28 PolarHBondContact O-N 3.36Å
25	F	53.5	Low	52.5	Low	127 Å²	127	82.5 Å²	82.5	56%	0.557	39%	0.388	S	S	*	.	H	α-helix	trans	-69.8	-43.4	-173.8	-160.5	-93.8	0	0	0	114.4	I21 L28 R29	I21-F25 PolarHBondContact O-N 2.91Å; F25-L28 PolarHBondContact O-N 3.24Å; F25-R29 WeakPolarHBondContact O-CB 3.26Å; F25-R29 PolarHBondContact O-N 2.93Å
26	P	56.2	Low	52.5	Low	32 Å²	32	82.1 Å²	82.1	21%	0.208	38%	0.384	C	S	.	.	H	α-helix	trans	-70	-36.2	174.8	-17.9	32.5	0	0	0	111.8	L22 R29 A30 I104	L22-P26 WeakPolarHBondContact O-CD 2.72Å; L22-P26 WeakPolarHBondContact O-CG 3.35Å; P26-R29 PolarHBondContact O-N 2.96Å; P26-A30 WeakPolarHBondContact O-CB 3.35Å; P26-A30 PolarHBondContact O-N 3.49Å; P26-I104 HydrophobicContact CB-CB 4.2Å; P26-I104 HydrophobicContact CB-CG2 3.24Å
27	V	54.5	Low	52.7	Low	38 Å²	38	76.8 Å²	76.8	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-47.4	172.2	173.5	0	0	0	0	110.2	C23 A30 F31	C23-V27 WeakPolarHBondContact O-CG2 3.22Å; V27-A30 PolarHBondContact O-N 2.77Å; V27-F31 WeakPolarHBondContact O-CB 3.1Å; V27-F31 PolarHBondContact O-N 2.88Å
28	L	56.5	Low	53.1	Low	25 Å²	25	75 Å²	75	13%	0.131	36%	0.357	C	S	.	.	H	α-helix	trans	-67.1	-44.4	175.8	-72	168.8	0	0	0	111.6	S24 F25 A30 F31 F32 I50 W54	S24-L28 WeakPolarHBondContact O-CB 3.09Å; S24-L28 WeakPolarHBondContact O-CG 3.19Å; S24-L28 PolarHBondContact O-N 3.36Å; F25-L28 PolarHBondContact O-N 3.24Å; L28-A30 VanDerWaalsContact C-N 3.29Å; L28-A30 PolarHBondContact O-N 3.38Å; L28-F31 CarbonylContact O-C 3.5Å; L28-F31 WeakPolarHBondContact O-CA 3.49Å; L28-F31 VanDerWaalsContact O-CB 3.27Å; L28-F31 WeakPolarHBondContact O-CB 3.3Å; L28-F31 PolarHBondContact O-N 3.47Å; L28-F32 HydrophobicContact CB-CD2 4.35Å; L28-F32 HydrophobicContact CB-CE2 4.38Å; L28-F32 HydrophobicContact CD2-CE2 4.26Å; L28-F32 WeakPolarHBondContact O-CD2 3.05Å; L28-F32 PolarHBondContact O-N 3.37Å; L28-I50 HydrophobicContact CD2-CD1 4.21Å; L28-I50 HydrophobicContact CD2-CG1 4.38Å; L28-W54 HydrophobicContact CD1-CD2 4.25Å; L28-W54 HydrophobicContact CD1-CE3 3.72Å; L28-W54 HydrophobicContact CD1-CH2 4.28Å; L28-W54 HydrophobicContact CD1-CZ3 3.75Å
29	R	57.3	Low	53.4	Low	157 Å²	157	75.3 Å²	75.3	59%	0.592	36%	0.358	S	S	*	.	H	α-helix	trans	-59.5	-41.4	177	-171.5	-179.4	-174.2	-160	3.8	110.9	F25 P26 F32 K33	F25-R29 WeakPolarHBondContact O-CB 3.26Å; F25-R29 PolarHBondContact O-N 2.93Å; P26-R29 PolarHBondContact O-N 2.96Å; R29-F32 PolarHBondContact O-N 2.94Å; R29-K33 WeakPolarHBondContact O-CB 3.19Å; R29-K33 PolarHBondContact O-N 3.09Å
30	A	54.9	Low	54.2	Low	27 Å²	27	78.6 Å²	78.6	22%	0.223	36%	0.362	C	S	.	.	H	α-helix	trans	-69.2	-36.7	173.2	0	0	0	0	0	112.4	P26 V27 L28 F32 K34 I104	P26-A30 WeakPolarHBondContact O-CB 3.35Å; P26-A30 PolarHBondContact O-N 3.49Å; V27-A30 PolarHBondContact O-N 2.77Å; L28-A30 VanDerWaalsContact C-N 3.29Å; L28-A30 PolarHBondContact O-N 3.38Å; A30-F32 VanDerWaalsContact C-N 3.32Å; A30-F32 PolarHBondContact O-N 3.47Å; A30-K34 PolarHBondContact O-N 3.49Å; A30-I104 HydrophobicContact CB-CD1 3.07Å; A30-I104 HydrophobicContact CB-CG1 3.63Å
31	F	53.7	Low	55	Low	6 Å²	6	80.2 Å²	80.2	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-59.3	-43	173.3	-163.8	-76.6	0	0	0	111.6	V27 L28 L39 A46 I50 L91 F101	V27-F31 WeakPolarHBondContact O-CB 3.1Å; V27-F31 PolarHBondContact O-N 2.88Å; L28-F31 CarbonylContact O-C 3.5Å; L28-F31 WeakPolarHBondContact O-CA 3.49Å; L28-F31 VanDerWaalsContact O-CB 3.27Å; L28-F31 WeakPolarHBondContact O-CB 3.3Å; L28-F31 PolarHBondContact O-N 3.47Å; F31-L39 HydrophobicContact CD1-CD1 3.62Å; F31-L39 HydrophobicContact CD2-CD1 4.15Å; F31-L39 HydrophobicContact CE1-CB 4.11Å; F31-L39 HydrophobicContact CE1-CD1 3.49Å; F31-L39 VanDerWaalsContact CE1-CD1 3.49Å; F31-L39 HydrophobicContact CE1-CG 4.38Å; F31-L39 HydrophobicContact CE2-CD1 3.99Å; F31-L39 HydrophobicContact CG-CD1 3.92Å; F31-L39 HydrophobicContact CZ-CB 4.13Å; F31-L39 HydrophobicContact CZ-CD1 3.66Å; F31-L39 HydrophobicContact CZ-CG 4.32Å; F31-L39 WeakPolarHBondContact O-CD1 2.98Å; F31-A46 HydrophobicContact CZ-CB 4.46Å; F31-I50 HydrophobicContact CD1-CD1 3.89Å; F31-I50 HydrophobicContact CD2-CD1 4.35Å; F31-I50 HydrophobicContact CE1-CD1 3.5Å; F31-I50 VanDerWaalsContact CE1-CD1 3.5Å; F31-I50 HydrophobicContact CE2-CD1 4.08Å; F31-I50 HydrophobicContact CG-CD1 4.34Å; F31-I50 HydrophobicContact CZ-CD1 3.64Å; F31-L91 HydrophobicContact CE2-CD2 4.34Å; F31-F101 VanDerWaalsContact CA-CZ 3.43Å; F31-F101 HydrophobicContact CB-CE1 3.73Å; F31-F101 HydrophobicContact CB-CZ 3.6Å; F31-F101 AromaticContact CD2-CE1 3.36Å; F31-F101 HydrophobicContact CD2-CE1 3.36Å; F31-F101 HydrophobicContact CD2-CE2 4.32Å; F31-F101 AromaticContact CD2-CZ 3.14Å; F31-F101 HydrophobicContact CD2-CZ 3.14Å; F31-F101 HydrophobicContact CE2-CE1 4.31Å; F31-F101 AromaticContact CE2-CZ 3.91Å; F31-F101 HydrophobicContact CE2-CZ 3.91Å; F31-F101 AromaticContact CG-CE1 3.95Å; F31-F101 HydrophobicContact CG-CE1 3.95Å; F31-F101 AromaticContact CG-CZ 3.57Å; F31-F101 HydrophobicContact CG-CZ 3.57Å
32	F	55.9	Low	55.5	Low	83 Å²	83	80.7 Å²	80.7	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-81.4	-37.7	179.5	-76.1	-74.4	0	0	0	113.7	L28 R29 A30 K34 Y36 I50	L28-F32 HydrophobicContact CB-CD2 4.35Å; L28-F32 HydrophobicContact CB-CE2 4.38Å; L28-F32 HydrophobicContact CD2-CE2 4.26Å; L28-F32 WeakPolarHBondContact O-CD2 3.05Å; L28-F32 PolarHBondContact O-N 3.37Å; R29-F32 PolarHBondContact O-N 2.94Å; A30-F32 VanDerWaalsContact C-N 3.32Å; A30-F32 PolarHBondContact O-N 3.47Å; F32-K34 VanDerWaalsContact C-N 3.31Å; F32-K34 PolarHBondContact O-N 2.91Å; F32-Y36 AromaticContact CD1-CD2 3.54Å; F32-Y36 HydrophobicContact CD1-CD2 3.54Å; F32-Y36 AromaticContact CD1-CE2 3.96Å; F32-Y36 HydrophobicContact CD1-CE2 3.96Å; F32-Y36 AromaticContact CE1-CD2 3.56Å; F32-Y36 HydrophobicContact CE1-CD2 3.56Å; F32-Y36 AromaticContact CE1-CE2 3.47Å; F32-Y36 HydrophobicContact CE1-CE2 3.47Å; F32-Y36 VanDerWaalsContact CE1-CE2 3.47Å; F32-I50 HydrophobicContact CE2-CG2 4.25Å; F32-I50 HydrophobicContact CZ-CG2 3.73Å
33	K	59.8	Low	56	Low	166 Å²	166	79 Å²	79	72%	0.722	37%	0.371	S	S	*	.	H	α-helix	trans	-69.6	-25.2	-172.7	-167.8	175.4	-175.5	-175.4	0	113.2	R29	R29-K33 WeakPolarHBondContact O-CB 3.19Å; R29-K33 PolarHBondContact O-N 3.09Å
34	K	53.7	Low	56.6	Low	181 Å²	181	83.4 Å²	83.4	79%	0.787	39%	0.386	S	S	*	.	H	α-helix	trans	-102.4	-35.3	-174.7	-77.2	-165.1	172.4	-176.4	0	115.6	A30 F32	A30-K34 PolarHBondContact O-N 3.49Å; F32-K34 VanDerWaalsContact C-N 3.31Å; F32-K34 PolarHBondContact O-N 2.91Å
35	K	57.1	Low	57	Low	105 Å²	105	86.6 Å²	86.6	46%	0.457	40%	0.4	S	S	.	.	H	α-helix	trans	-161.9	47.3	-163.2	-80.1	-153.1	-174.1	-174.5	0	115.2	E37 Y38 L39	K35-E37 VanDerWaalsContact C-N 3.32Å; K35-E37 PolarHBondContact O-N 3.45Å; K35-Y38 HydrophobicContact CB-CD1 4.24Å; K35-Y38 HydrophobicContact CD-CD1 3.18Å; K35-Y38 HydrophobicContact CD-CD2 4.43Å; K35-Y38 HydrophobicContact CD-CE1 3.72Å; K35-Y38 HydrophobicContact CD-CG 3.58Å; K35-Y38 HydrophobicContact CG-CD1 4.22Å; K35-Y38 HydrophobicContact CG-CG 4.44Å; K35-Y38 PolarHBondContact O-N 3.2Å; K35-Y38 VanDerWaalsContact O-N 3.17Å; K35-L39 HydrophobicContact CB-CD1 4.4Å; K35-L39 HydrophobicContact CB-CG 4.18Å; K35-L39 WeakPolarHBondContact O-CB 3.37Å; K35-L39 VanDerWaalsContact O-CG 3.27Å; K35-L39 WeakPolarHBondContact O-CG 3.24Å; K35-L39 PolarHBondContact O-N 2.99Å
36	Y	54.5	Low	57.2	Low	79 Å²	79	80.6 Å²	80.6	31%	0.31	37%	0.373	S	S	.	.	H	α-helix	trans	-52.5	-46.1	-178.5	-173.6	-106.6	0	0	0	113.5	F32 R40 Y47	F32-Y36 AromaticContact CD1-CD2 3.54Å; F32-Y36 HydrophobicContact CD1-CD2 3.54Å; F32-Y36 AromaticContact CD1-CE2 3.96Å; F32-Y36 HydrophobicContact CD1-CE2 3.96Å; F32-Y36 AromaticContact CE1-CD2 3.56Å; F32-Y36 HydrophobicContact CE1-CD2 3.56Å; F32-Y36 AromaticContact CE1-CE2 3.47Å; F32-Y36 HydrophobicContact CE1-CE2 3.47Å; F32-Y36 VanDerWaalsContact CE1-CE2 3.47Å; Y36-R40 PolarHBondContact O-N 3.28Å; Y36-Y47 HydrophobicContact CE1-CE2 4.37Å; Y36-Y47 AromaticContact CE2-CE2 3.87Å; Y36-Y47 HydrophobicContact CE2-CE2 3.87Å; Y36-Y47 AromaticContact CZ-CE2 3.7Å; Y36-Y47 PolarHBondContact OH-OH 3.25Å
37	E	56.7	Low	57.5	Low	122 Å²	122	80.6 Å²	80.6	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-73	-35.9	178.6	-67.5	-56.8	143.9	0	0	113.4	K35 R40	K35-E37 VanDerWaalsContact C-N 3.32Å; K35-E37 PolarHBondContact O-N 3.45Å; E37-R40 WeakPolarHBondContact O-CB 3.35Å; E37-R40 PolarHBondContact O-N 2.84Å
38	Y	56.2	Low	57.9	Low	121 Å²	121	79.8 Å²	79.8	48%	0.475	37%	0.369	S	S	.	.	H	α-helix	trans	-77	-24.8	-179.4	178.2	-92.2	0	0	0	112.9	K35 S41 L42	K35-Y38 HydrophobicContact CB-CD1 4.24Å; K35-Y38 HydrophobicContact CD-CD1 3.18Å; K35-Y38 HydrophobicContact CD-CD2 4.43Å; K35-Y38 HydrophobicContact CD-CE1 3.72Å; K35-Y38 HydrophobicContact CD-CG 3.58Å; K35-Y38 HydrophobicContact CG-CD1 4.22Å; K35-Y38 HydrophobicContact CG-CG 4.44Å; K35-Y38 PolarHBondContact O-N 3.2Å; K35-Y38 VanDerWaalsContact O-N 3.17Å; Y38-S41 PolarHBondContact O-OG 2.87Å; Y38-L42 HydrophobicContact CD1-CD1 3.61Å; Y38-L42 HydrophobicContact CD1-CG 4.48Å; Y38-L42 HydrophobicContact CE1-CD1 3.08Å; Y38-L42 HydrophobicContact CE1-CG 4.25Å; Y38-L42 HydrophobicContact CE2-CD1 4.17Å; Y38-L42 HydrophobicContact CG-CD1 4.38Å; Y38-L42 PolarHBondContact O-N 2.91Å
39	L	54.3	Low	58.2	Low	9 Å²	9	79.6 Å²	79.6	5%	0.047	37%	0.367	C	S	.	.	H	α-helix	trans	-80.2	-24.4	172.9	-65.9	171	0	0	0	111.9	F31 K35 S41 F43 F101	F31-L39 HydrophobicContact CD1-CD1 3.62Å; F31-L39 HydrophobicContact CD2-CD1 4.15Å; F31-L39 HydrophobicContact CE1-CB 4.11Å; F31-L39 HydrophobicContact CE1-CD1 3.49Å; F31-L39 VanDerWaalsContact CE1-CD1 3.49Å; F31-L39 HydrophobicContact CE1-CG 4.38Å; F31-L39 HydrophobicContact CE2-CD1 3.99Å; F31-L39 HydrophobicContact CG-CD1 3.92Å; F31-L39 HydrophobicContact CZ-CB 4.13Å; F31-L39 HydrophobicContact CZ-CD1 3.66Å; F31-L39 HydrophobicContact CZ-CG 4.32Å; F31-L39 WeakPolarHBondContact O-CD1 2.98Å; K35-L39 HydrophobicContact CB-CD1 4.4Å; K35-L39 HydrophobicContact CB-CG 4.18Å; K35-L39 WeakPolarHBondContact O-CB 3.37Å; K35-L39 VanDerWaalsContact O-CG 3.27Å; K35-L39 WeakPolarHBondContact O-CG 3.24Å; K35-L39 PolarHBondContact O-N 2.99Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-S41 PolarHBondContact O-N 2.83Å; L39-F43 HydrophobicContact CD2-CD2 3.4Å; L39-F43 HydrophobicContact CD2-CE2 3.69Å; L39-F43 HydrophobicContact CD2-CG 4.41Å; L39-F43 CarbonylContact O-C 3.57Å; L39-F43 WeakPolarHBondContact O-CA 3.33Å; L39-F43 WeakPolarHBondContact O-CB 3.43Å; L39-F43 PolarHBondContact O-N 3.11Å; L39-F101 HydrophobicContact CD1-CE2 4.3Å; L39-F101 HydrophobicContact CD1-CZ 4.22Å
40	R	59.4	Low	58.4	Low	125 Å²	125	72.5 Å²	72.5	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-38.8	172.3	-173.5	179.9	178.1	178.4	-1.5	111.7	Y36 E37 Q44 Y47	Y36-R40 PolarHBondContact O-N 3.28Å; E37-R40 WeakPolarHBondContact O-CB 3.35Å; E37-R40 PolarHBondContact O-N 2.84Å; R40-Q44 WeakPolarHBondContact O-CG 3.46Å; R40-Y47 HydrophobicContact CB-CD2 4.24Å; R40-Y47 HydrophobicContact CB-CE2 4.36Å; R40-Y47 HydrophobicContact CG-CD1 4.32Å; R40-Y47 HydrophobicContact CG-CD2 4.37Å; R40-Y47 HydrophobicContact CG-CE1 4.22Å; R40-Y47 HydrophobicContact CG-CE2 4.27Å; R40-Y47 HydrophobicContact CG-CG 4.4Å
41	S	60.8	Low	58.8	Low	80 Å²	80	77.7 Å²	77.7	56%	0.559	35%	0.354	S	S	*	.	H	α-helix	trans	-79.2	-40.8	178	57.2	0	0	0	0	113.1	Y38 L39	Y38-S41 PolarHBondContact O-OG 2.87Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-S41 PolarHBondContact O-N 2.83Å
42	L	57.3	Low	59.3	Low	78 Å²	78	83 Å²	83	41%	0.408	38%	0.382	S	S	.	.	H	α-helix	trans	-84.3	-30.5	-176	-71.1	-179.9	0	0	0	114.9	Y38 S94	Y38-L42 HydrophobicContact CD1-CD1 3.61Å; Y38-L42 HydrophobicContact CD1-CG 4.48Å; Y38-L42 HydrophobicContact CE1-CD1 3.08Å; Y38-L42 HydrophobicContact CE1-CG 4.25Å; Y38-L42 HydrophobicContact CE2-CD1 4.17Å; Y38-L42 HydrophobicContact CG-CD1 4.38Å; Y38-L42 PolarHBondContact O-N 2.91Å; L42-S94 PolarHBondContact O-OG 3.1Å
43	F	60.3	Low	59.5	Low	9 Å²	9	85.9 Å²	85.9	4%	0.039	39%	0.391	C	S	.	.			trans	-131	54.3	-169.3	-61.4	-90.4	0	0	0	111.1	L39 L45 A46 Y47 L91 S94 L97	L39-F43 HydrophobicContact CD2-CD2 3.4Å; L39-F43 HydrophobicContact CD2-CE2 3.69Å; L39-F43 HydrophobicContact CD2-CG 4.41Å; L39-F43 CarbonylContact O-C 3.57Å; L39-F43 WeakPolarHBondContact O-CA 3.33Å; L39-F43 WeakPolarHBondContact O-CB 3.43Å; L39-F43 PolarHBondContact O-N 3.11Å; F43-L45 PolarHBondContact O-N 2.81Å; F43-L45 VanDerWaalsContact O-N 3.11Å; F43-A46 HydrophobicContact CB-CB 3.95Å; F43-A46 PolarHBondContact O-N 2.91Å; F43-Y47 WeakPolarHBondContact O-CB 3.41Å; F43-Y47 PolarHBondContact O-N 2.9Å; F43-L91 HydrophobicContact CD1-CD2 3.75Å; F43-L91 HydrophobicContact CE1-CD2 4.03Å; F43-L91 HydrophobicContact CG-CD2 4.43Å; F43-S94 WeakPolarHBondContact CD1-OG 3.5Å; F43-L97 HydrophobicContact CD1-CD2 4.46Å; F43-L97 HydrophobicContact CE1-CD2 3.57Å; F43-L97 HydrophobicContact CE1-CG 4.19Å; F43-L97 HydrophobicContact CE2-CD2 4.02Å; F43-L97 HydrophobicContact CZ-CD2 3.34Å; F43-L97 HydrophobicContact CZ-CG 4.21Å
44	Q	63.3	Low	59.5	Low	148 Å²	148	80.7 Å²	80.7	69%	0.692	37%	0.367	S	S	*	.	H	α-helix	trans	-50.9	-38.1	-179.2	-70	-175.2	-8.4	0	0	113.3	R40 G48	R40-Q44 WeakPolarHBondContact O-CG 3.46Å; Q44-G48 PolarHBondContact O-N 2.9Å
45	L	60.7	Low	59.9	Low	101 Å²	101	75.2 Å²	75.2	53%	0.529	35%	0.346	S	S	.	.	H	α-helix	trans	-68.9	-46.2	177.5	-68.7	174.2	0	0	0	112.5	F43 Y47 G48 Y49 C90	F43-L45 PolarHBondContact O-N 2.81Å; F43-L45 VanDerWaalsContact O-N 3.11Å; L45-Y47 VanDerWaalsContact C-N 3.33Å; L45-G48 PolarHBondContact O-N 3.23Å; L45-Y49 WeakPolarHBondContact O-CB 3.42Å; L45-Y49 PolarHBondContact O-N 3.35Å; L45-C90 HydrophobicContact CB-CB 4.32Å
46	A	57.6	Low	60.1	Low	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-67.2	-38.5	177.1	0	0	0	0	0	110.9	F31 F43 Y49 I50 L87 C90 L91	F31-A46 HydrophobicContact CZ-CB 4.46Å; F43-A46 HydrophobicContact CB-CB 3.95Å; F43-A46 PolarHBondContact O-N 2.91Å; A46-Y49 PolarHBondContact O-N 3.4Å; A46-I50 WeakPolarHBondContact O-CB 3.35Å; A46-I50 WeakPolarHBondContact O-CD1 3.49Å; A46-I50 WeakPolarHBondContact O-CG1 3.43Å; A46-I50 PolarHBondContact O-N 2.8Å; A46-L87 HydrophobicContact CB-CD1 4.18Å; A46-C90 HydrophobicContact CB-CB 4.28Å; A46-L91 HydrophobicContact CB-CD2 4.18Å
47	Y	62.3	Low	60.4	Low	32 Å²	32	74.3 Å²	74.3	13%	0.125	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-48.8	173.2	178.8	-96.5	0	0	0	111.5	Y36 R40 F43 L45 Y49 I50 R51	Y36-Y47 HydrophobicContact CE1-CE2 4.37Å; Y36-Y47 AromaticContact CE2-CE2 3.87Å; Y36-Y47 HydrophobicContact CE2-CE2 3.87Å; Y36-Y47 AromaticContact CZ-CE2 3.7Å; Y36-Y47 PolarHBondContact OH-OH 3.25Å; R40-Y47 HydrophobicContact CB-CD2 4.24Å; R40-Y47 HydrophobicContact CB-CE2 4.36Å; R40-Y47 HydrophobicContact CG-CD1 4.32Å; R40-Y47 HydrophobicContact CG-CD2 4.37Å; R40-Y47 HydrophobicContact CG-CE1 4.22Å; R40-Y47 HydrophobicContact CG-CE2 4.27Å; R40-Y47 HydrophobicContact CG-CG 4.4Å; F43-Y47 WeakPolarHBondContact O-CB 3.41Å; F43-Y47 PolarHBondContact O-N 2.9Å; L45-Y47 VanDerWaalsContact C-N 3.33Å; Y47-Y49 VanDerWaalsContact C-N 3.34Å; Y47-Y49 PolarHBondContact O-N 3.28Å; Y47-I50 PolarHBondContact O-N 3.05Å; Y47-R51 VanDerWaalsContact O-CB 3.23Å; Y47-R51 WeakPolarHBondContact O-CB 3.39Å; Y47-R51 PolarHBondContact O-N 2.86Å
48	G	63.5	Low	60.5	Low	21 Å²	21	75.4 Å²	75.4	22%	0.216	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-41.5	176.9	0	0	0	0	0	112.3	Q44 L45 R51 N52	Q44-G48 PolarHBondContact O-N 2.9Å; L45-G48 PolarHBondContact O-N 3.23Å; G48-R51 PolarHBondContact O-N 2.89Å; G48-N52 VanDerWaalsContact O-CB 3.22Å; G48-N52 WeakPolarHBondContact O-CB 3.4Å; G48-N52 PolarHBondContact O-N 3.25Å; G48-N52 PolarHBondContact O-ND2 2.95Å
49	Y	63	Low	60.4	Low	22 Å²	22	74 Å²	74	9%	0.086	37%	0.365	C	S	.	.	H	α-helix	trans	-60.4	-49.7	174.8	177.2	-95.1	0	0	0	112.1	L45 A46 Y47 R53 W54 A83 H86	L45-Y49 WeakPolarHBondContact O-CB 3.42Å; L45-Y49 PolarHBondContact O-N 3.35Å; A46-Y49 PolarHBondContact O-N 3.4Å; Y47-Y49 VanDerWaalsContact C-N 3.34Å; Y47-Y49 PolarHBondContact O-N 3.28Å; Y49-R53 WeakPolarHBondContact O-CB 3.35Å; Y49-R53 PolarHBondContact O-N 3.19Å; Y49-W54 AromaticContact CD1-NE1 3.92Å; Y49-W54 AromaticContact CE1-CD1 3.73Å; Y49-W54 AromaticContact CE1-NE1 3.13Å; Y49-W54 AromaticContact CZ-NE1 3.71Å; Y49-A83 WeakPolarHBondContact OH-CA 3.41Å; Y49-A83 WeakPolarHBondContact OH-CB 3.29Å; Y49-H86 AromaticContact CD2-CD2 3.43Å; Y49-H86 VanDerWaalsContact CD2-CD2 3.43Å; Y49-H86 WeakPolarHBondContact CD2-CD2 3.26Å; Y49-H86 AromaticContact CE2-CD2 3.63Å
50	I	61.2	Low	60.6	Low	7 Å²	7	77.2 Å²	77.2	4%	0.036	38%	0.381	C	S	.	.	I	π-helix	trans	-64.1	-46.5	178.7	-67.7	167	0	0	0	110.1	L28 F31 F32 A46 Y47 W54 I55	L28-I50 HydrophobicContact CD2-CD1 4.21Å; L28-I50 HydrophobicContact CD2-CG1 4.38Å; F31-I50 HydrophobicContact CD1-CD1 3.89Å; F31-I50 HydrophobicContact CD2-CD1 4.35Å; F31-I50 HydrophobicContact CE1-CD1 3.5Å; F31-I50 VanDerWaalsContact CE1-CD1 3.5Å; F31-I50 HydrophobicContact CE2-CD1 4.08Å; F31-I50 HydrophobicContact CG-CD1 4.34Å; F31-I50 HydrophobicContact CZ-CD1 3.64Å; F32-I50 HydrophobicContact CE2-CG2 4.25Å; F32-I50 HydrophobicContact CZ-CG2 3.73Å; A46-I50 WeakPolarHBondContact O-CB 3.35Å; A46-I50 WeakPolarHBondContact O-CD1 3.49Å; A46-I50 WeakPolarHBondContact O-CG1 3.43Å; A46-I50 PolarHBondContact O-N 2.8Å; Y47-I50 PolarHBondContact O-N 3.05Å; I50-W54 HydrophobicContact CG2-CB 4.29Å; I50-W54 CarbonylContact O-C 3.41Å; I50-W54 VanDerWaalsContact O-CA 3.3Å; I50-W54 WeakPolarHBondContact O-CA 3.27Å; I50-W54 WeakPolarHBondContact O-CB 3.42Å; I50-W54 PolarHBondContact O-N 3.08Å; I50-I55 PolarHBondContact O-N 3.11Å
51	R	63.7	Low	60.5	Low	137 Å²	137	74.6 Å²	74.6	52%	0.517	37%	0.371	S	S	.	.	I	π-helix	trans	-60.1	-51.1	179	-174.3	179.4	-178.2	-166.8	0.8	112	Y47 G48 I55 A56	Y47-R51 VanDerWaalsContact O-CB 3.23Å; Y47-R51 WeakPolarHBondContact O-CB 3.39Å; Y47-R51 PolarHBondContact O-N 2.86Å; G48-R51 PolarHBondContact O-N 2.89Å; R51-I55 HydrophobicContact CB-CD1 4.32Å; R51-I55 HydrophobicContact CG-CD1 4.35Å; R51-I55 WeakPolarHBondContact O-CB 3.48Å; R51-A56 PolarHBondContact O-N 3.16Å
52	N	64.1	Low	60.1	Low	116 Å²	116	73 Å²	73	62%	0.62	36%	0.362	S	S	*	.	I	π-helix	trans	-79.8	-30.9	-170.7	-64.9	-16.7	0	0	0	113	G48 A56	G48-N52 VanDerWaalsContact O-CB 3.22Å; G48-N52 WeakPolarHBondContact O-CB 3.4Å; G48-N52 PolarHBondContact O-N 3.25Å; G48-N52 PolarHBondContact O-ND2 2.95Å; N52-A56 VanDerWaalsContact O-CB 3.26Å; N52-A56 WeakPolarHBondContact O-CB 3.22Å
53	R	60.3	Low	59.9	Low	144 Å²	144	71.9 Å²	71.9	54%	0.543	36%	0.361	S	S	.	.	I	π-helix	trans	-103.9	-32.3	-176.8	-64.5	-177.1	179.5	-122.5	1	113.9	Y49 R57	Y49-R53 WeakPolarHBondContact O-CB 3.35Å; Y49-R53 PolarHBondContact O-N 3.19Å; R53-R57 VanDerWaalsContact O-CD 3.3Å; R53-R57 WeakPolarHBondContact O-CD 3.19Å; R53-R57 WeakPolarHBondContact O-CG 3.4Å
54	W	60.5	Low	59.4	Low	57 Å²	57	72.8 Å²	72.8	22%	0.216	37%	0.368	C	S	.	.	I	π-helix	trans	-100.7	-49	-174.1	-65	77.5	0	0	0	112.4	L28 Y49 I50 A56 R57 K58 W61	L28-W54 HydrophobicContact CD1-CD2 4.25Å; L28-W54 HydrophobicContact CD1-CE3 3.72Å; L28-W54 HydrophobicContact CD1-CH2 4.28Å; L28-W54 HydrophobicContact CD1-CZ3 3.75Å; Y49-W54 AromaticContact CD1-NE1 3.92Å; Y49-W54 AromaticContact CE1-CD1 3.73Å; Y49-W54 AromaticContact CE1-NE1 3.13Å; Y49-W54 AromaticContact CZ-NE1 3.71Å; I50-W54 HydrophobicContact CG2-CB 4.29Å; I50-W54 CarbonylContact O-C 3.41Å; I50-W54 VanDerWaalsContact O-CA 3.3Å; I50-W54 WeakPolarHBondContact O-CA 3.27Å; I50-W54 WeakPolarHBondContact O-CB 3.42Å; I50-W54 PolarHBondContact O-N 3.08Å; W54-A56 VanDerWaalsContact C-N 3.34Å; W54-A56 PolarHBondContact O-N 3.2Å; W54-R57 CarbonylContact O-C 3.51Å; W54-R57 PolarHBondContact O-N 2.89Å; W54-K58 PolarHBondContact O-N 3.27Å; W54-W61 AromaticContact CE3-CZ2 3.83Å; W54-W61 HydrophobicContact CE3-CZ2 3.83Å; W54-W61 HydrophobicContact CZ3-CH2 4.11Å; W54-W61 AromaticContact CZ3-CZ2 3.75Å; W54-W61 HydrophobicContact CZ3-CZ2 3.75Å; W54-W61 PolarHBondContact O-NE1 2.98Å
55	I	61.1	Low	58.7	Low	67 Å²	67	69.8 Å²	69.8	34%	0.344	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-65.9	-39	177.6	-56.2	-178.7	0	0	0	110.7	I50 R51 R57 K58	I50-I55 PolarHBondContact O-N 3.11Å; R51-I55 HydrophobicContact CB-CD1 4.32Å; R51-I55 HydrophobicContact CG-CD1 4.35Å; R51-I55 WeakPolarHBondContact O-CB 3.48Å; I55-R57 PolarHBondContact O-N 3.43Å; I55-R57 VanDerWaalsContact O-N 3.1Å; I55-K58 WeakPolarHBondContact O-CB 3.27Å; I55-K58 PolarHBondContact O-N 3.47Å
56	A	60.3	Low	58.2	Low	72 Å²	72	72.6 Å²	72.6	60%	0.595	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-57.9	-24	173	0	0	0	0	0	113.4	R51 N52 W54	R51-A56 PolarHBondContact O-N 3.16Å; N52-A56 VanDerWaalsContact O-CB 3.26Å; N52-A56 WeakPolarHBondContact O-CB 3.22Å; W54-A56 VanDerWaalsContact C-N 3.34Å; W54-A56 PolarHBondContact O-N 3.2Å
57	R	61	Low	58	Low	92 Å²	92	81.6 Å²	81.6	35%	0.347	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-102.4	9	177.6	-63.5	-178.1	-177.1	-147	-6.5	112.7	R53 W54 I55 S59 M60 W61	R53-R57 VanDerWaalsContact O-CD 3.3Å; R53-R57 WeakPolarHBondContact O-CD 3.19Å; R53-R57 WeakPolarHBondContact O-CG 3.4Å; W54-R57 CarbonylContact O-C 3.51Å; W54-R57 PolarHBondContact O-N 2.89Å; I55-R57 PolarHBondContact O-N 3.43Å; I55-R57 VanDerWaalsContact O-N 3.1Å; R57-S59 VanDerWaalsContact C-N 3.26Å; R57-S59 PolarHBondContact O-N 3.31Å; R57-M60 WeakPolarHBondContact O-CA 3.43Å; R57-M60 VanDerWaalsContact O-CB 3.29Å; R57-M60 WeakPolarHBondContact O-CB 3.24Å; R57-M60 PolarHBondContact O-N 3.37Å; R57-W61 PolarHBondContact O-N 2.89Å
58	K	59.5	Low	57.5	Low	146 Å²	146	87.5 Å²	87.5	64%	0.635	44%	0.436	S	S	*	.	H	α-helix	trans	-52.9	-39.8	-177.1	-175.6	-179.6	178.5	-173.4	0	113	W54 I55 W61 A62	W54-K58 PolarHBondContact O-N 3.27Å; I55-K58 WeakPolarHBondContact O-CB 3.27Å; I55-K58 PolarHBondContact O-N 3.47Å; K58-W61 PolarHBondContact O-N 2.85Å; K58-A62 WeakPolarHBondContact O-CB 3.2Å; K58-A62 PolarHBondContact O-N 3.3Å
59	S	54.4	Low	56.7	Low	92 Å²	92	91 Å²	91	64%	0.643	45%	0.452	S	S	*	.	H	α-helix	trans	-65.6	-41.2	176.5	51.9	0	0	0	0	112.3	R57 W61 A62 S63	R57-S59 VanDerWaalsContact C-N 3.26Å; R57-S59 PolarHBondContact O-N 3.31Å; S59-W61 VanDerWaalsContact C-N 3.32Å; S59-W61 PolarHBondContact O-N 3.31Å; S59-A62 PolarHBondContact O-N 2.99Å; S59-S63 VanDerWaalsContact O-CB 3.3Å; S59-S63 WeakPolarHBondContact O-CB 3.07Å; S59-S63 PolarHBondContact O-N 3.21Å
60	M	57.7	Low	56.1	Low	76 Å²	76	93 Å²	93	37%	0.374	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-39.8	174.8	-159.6	-176.1	89.5	0	0	111.1	R57 C64 L72	R57-M60 WeakPolarHBondContact O-CA 3.43Å; R57-M60 VanDerWaalsContact O-CB 3.29Å; R57-M60 WeakPolarHBondContact O-CB 3.24Å; R57-M60 PolarHBondContact O-N 3.37Å; M60-C64 VanDerWaalsContact O-CB 3.25Å; M60-C64 WeakPolarHBondContact O-CB 3.06Å; M60-C64 PolarHBondContact O-N 3.43Å; M60-L72 HydrophobicContact CE-CD1 3.83Å; M60-L72 HydrophobicContact CE-CD2 3.63Å; M60-L72 HydrophobicContact CE-CG 3.77Å
61	W	58	Low	55.2	Low	70 Å²	70	97 Å²	97	27%	0.265	49%	0.493	S	S	.	.	H	α-helix	trans	-67.6	-43.6	174.7	-58.7	124	0	0	0	112.3	W54 R57 K58 S59 C64 C65 L72	W54-W61 AromaticContact CE3-CZ2 3.83Å; W54-W61 HydrophobicContact CE3-CZ2 3.83Å; W54-W61 HydrophobicContact CZ3-CH2 4.11Å; W54-W61 AromaticContact CZ3-CZ2 3.75Å; W54-W61 HydrophobicContact CZ3-CZ2 3.75Å; W54-W61 PolarHBondContact O-NE1 2.98Å; R57-W61 PolarHBondContact O-N 2.89Å; K58-W61 PolarHBondContact O-N 2.85Å; S59-W61 VanDerWaalsContact C-N 3.32Å; S59-W61 PolarHBondContact O-N 3.31Å; W61-C64 WeakPolarHBondContact O-CB 3.38Å; W61-C64 PolarHBondContact O-N 3.03Å; W61-C65 PolarHBondContact O-N 2.74Å; W61-C65 PolarHBondContact O-SG 3.03Å; W61-L72 HydrophobicContact CZ3-CD1 4.33Å
62	A	53.1	Low	54.4	Low	45 Å²	45	93 Å²	93	37%	0.372	48%	0.482	S	S	.	.	H	α-helix	trans	-63.3	-42.1	176.5	0	0	0	0	0	111.6	K58 S59 C64 C65 Q66	K58-A62 WeakPolarHBondContact O-CB 3.2Å; K58-A62 PolarHBondContact O-N 3.3Å; S59-A62 PolarHBondContact O-N 2.99Å; A62-C64 VanDerWaalsContact C-N 3.35Å; A62-C65 PolarHBondContact O-N 3.47Å; A62-Q66 WeakPolarHBondContact O-CB 3.36Å; A62-Q66 WeakPolarHBondContact O-CG 3.39Å; A62-Q66 PolarHBondContact O-N 2.82Å
63	S	51.5	Low	53.2	Low	56 Å²	56	91.7 Å²	91.7	39%	0.392	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-40.8	174.8	-169.1	0	0	0	0	111.6	S59 C65 Q66 R67	S59-S63 VanDerWaalsContact O-CB 3.3Å; S59-S63 WeakPolarHBondContact O-CB 3.07Å; S59-S63 PolarHBondContact O-N 3.21Å; S63-C65 PolarHBondContact O-N 2.78Å; S63-Q66 PolarHBondContact O-N 3.36Å; S63-R67 WeakPolarHBondContact O-CB 3.18Å; S63-R67 PolarHBondContact O-N 3.48Å
64	C	51.5	Low	52.6	Low	27 Å²	27	92 Å²	92	18%	0.182	49%	0.494	C	S	.	.	H	α-helix	trans	-61.2	-42.9	173.3	-178	0	0	0	0	112.3	M60 W61 A62 Q66 H68 L70	M60-C64 VanDerWaalsContact O-CB 3.25Å; M60-C64 WeakPolarHBondContact O-CB 3.06Å; M60-C64 PolarHBondContact O-N 3.43Å; W61-C64 WeakPolarHBondContact O-CB 3.38Å; W61-C64 PolarHBondContact O-N 3.03Å; A62-C64 VanDerWaalsContact C-N 3.35Å; C64-Q66 VanDerWaalsContact C-N 3.32Å; C64-H68 PolarHBondContact O-N 2.8Å; C64-H68 VanDerWaalsContact O-N 3.16Å; C64-L70 WeakPolarHBondContact SG-CD2 3.23Å; C64-L70 WeakPolarHBondContact SG-CG 3.34Å
65	C	48.4	Very low	52.2	Low	85 Å²	85	92.3 Å²	92.3	57%	0.574	50%	0.498	S	S	*	.	H	α-helix	trans	-65.3	-35	175.7	-68.8	0	0	0	0	112.4	W61 A62 S63	W61-C65 PolarHBondContact O-N 2.74Å; W61-C65 PolarHBondContact O-SG 3.03Å; A62-C65 PolarHBondContact O-N 3.47Å; S63-C65 PolarHBondContact O-N 2.78Å
66	Q	49.5	Very low	51.7	Low	160 Å²	160	93.4 Å²	93.4	75%	0.748	51%	0.507	S	S	*	.	H	α-helix	trans	-79.3	-27.9	-179.7	-75.9	177.4	-5	0	0	113.7	A62 S63 C64	A62-Q66 WeakPolarHBondContact O-CB 3.36Å; A62-Q66 WeakPolarHBondContact O-CG 3.39Å; A62-Q66 PolarHBondContact O-N 2.82Å; S63-Q66 PolarHBondContact O-N 3.36Å; C64-Q66 VanDerWaalsContact C-N 3.32Å
67	R	52.9	Low	51.4	Low	190 Å²	190	94.4 Å²	94.4	72%	0.717	50%	0.503	S	S	*	.	H	α-helix	trans	-112.6	1.4	-170.8	-69.6	-171.8	139	-178.8	-5.6	115.2	S63 V69	S63-R67 WeakPolarHBondContact O-CB 3.18Å; S63-R67 PolarHBondContact O-N 3.48Å; R67-V69 WeakPolarHBondContact O-CG2 3.21Å; R67-V69 PolarHBondContact O-N 2.88Å
68	H	51.9	Low	51.5	Low	156 Å²	156	95.7 Å²	95.7	72%	0.722	52%	0.516	S	S	*	.			trans	51.6	12	-178.3	-70.7	-74.6	0	0	0	115.6	C64	C64-H68 PolarHBondContact O-N 2.8Å; C64-H68 VanDerWaalsContact O-N 3.16Å
69	V	47.6	Very low	51.5	Low	94 Å²	94	94.5 Å²	94.5	57%	0.57	51%	0.508	S	S	*	.			trans	-112.8	101.6	-177.8	174.6	0	0	0	0	108.3	R67 S71	R67-V69 WeakPolarHBondContact O-CG2 3.21Å; R67-V69 PolarHBondContact O-N 2.88Å; V69-S71 PolarHBondContact O-N 3.17Å
70	L	49.9	Very low	51.5	Low	65 Å²	65	92.4 Å²	92.4	34%	0.34	49%	0.491	S	S	.	.			trans	-77	65.2	167.3	-83.8	159.3	0	0	0	109.7	I21 C64 L72	I21-L70 HydrophobicContact CD1-CD1 3.37Å; I21-L70 HydrophobicContact CD1-CD2 3.63Å; I21-L70 HydrophobicContact CD1-CG 4.1Å; C64-L70 WeakPolarHBondContact SG-CD2 3.23Å; C64-L70 WeakPolarHBondContact SG-CG 3.34Å; L70-L72 HydrophobicContact CD2-CD1 4.07Å; L70-L72 PolarHBondContact O-N 3.27Å
71	S	43.1	Very low	51.6	Low	91 Å²	91	92.5 Å²	92.5	64%	0.636	49%	0.491	S	S	*	.			trans	-81.3	65.7	165.9	73.2	0	0	0	0	109.5	V69 S73	V69-S71 PolarHBondContact O-N 3.17Å; S71-S73 PolarHBondContact O-N 3.46Å
72	L	45.8	Very low	51.9	Low	53 Å²	53	92.8 Å²	92.8	28%	0.277	50%	0.504	S	S	.	.			trans	-82.9	75.4	151	-82.6	111.5	0	0	0	107.2	M60 W61 L70 N74 H75	M60-L72 HydrophobicContact CE-CD1 3.83Å; M60-L72 HydrophobicContact CE-CD2 3.63Å; M60-L72 HydrophobicContact CE-CG 3.77Å; W61-L72 HydrophobicContact CZ3-CD1 4.33Å; L70-L72 HydrophobicContact CD2-CD1 4.07Å; L70-L72 PolarHBondContact O-N 3.27Å; L72-N74 PolarHBondContact O-N 3.11Å; L72-N74 VanDerWaalsContact O-N 3.12Å; L72-H75 HydrophobicContact CD2-CB 4.25Å; L72-H75 WeakPolarHBondContact CD2-CD2 3.42Å
73	S	39.2	Very low	52.3	Low	88 Å²	88	91.6 Å²	91.6	62%	0.615	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	120	160.3	47.6	0	0	0	0	108.1	S71	S71-S73 PolarHBondContact O-N 3.46Å
74	N	48.3	Very low	52.9	Low	150 Å²	150	93.6 Å²	93.6	80%	0.802	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	24.8	165.7	-46.3	-21.2	0	0	0	117.8	L72	L72-N74 PolarHBondContact O-N 3.11Å; L72-N74 VanDerWaalsContact O-N 3.12Å
75	H	50.8	Low	53.8	Low	64 Å²	64	98.5 Å²	98.5	30%	0.296	51%	0.511	S	S	.	.			trans	-110.5	84.2	167.9	-67.8	-4.2	0	0	0	110.7	L72 R79	L72-H75 HydrophobicContact CD2-CB 4.25Å; L72-H75 WeakPolarHBondContact CD2-CD2 3.42Å; H75-R79 PolarHBondContact CE1-NH1 2.91Å; H75-R79 PolarHBondContact ND1-NH1 3.32Å
76	T	51.6	Low	54.7	Low	90 Å²	90	98.4 Å²	98.4	55%	0.552	50%	0.502	S	S	*	.			trans	-48.8	148.9	173.6	44.2	0	0	0	0	111.7	N78 R79	T76-N78 PolarHBondContact O-N 3.34Å; T76-R79 PolarHBondContact O-N 3.48Å
77	N	54	Low	55.4	Low	92 Å²	92	92.2 Å²	92.2	49%	0.492	47%	0.474	S	S	.	.	H	α-helix	trans	-36.7	-37.1	171.5	-167.1	18.1	0	0	0	113	I20 R79 V80 E81	I20-N77 VanDerWaalsContact CD1-OD1 3.3Å; I20-N77 WeakPolarHBondContact CD1-OD1 3.5Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R79 PolarHBondContact O-N 2.79Å; N77-V80 PolarHBondContact O-N 3.46Å; N77-V80 VanDerWaalsContact O-N 3.11Å; N77-E81 PolarHBondContact O-N 3.4Å
78	N	62.5	Low	56	Low	119 Å²	119	87.1 Å²	87.1	64%	0.636	46%	0.457	S	S	*	.	H	α-helix	trans	-54.5	-38.5	176.5	-60.8	-5.5	0	0	0	114.6	T76 S82	T76-N78 PolarHBondContact O-N 3.34Å; N78-S82 WeakPolarHBondContact O-CB 3.26Å; N78-S82 PolarHBondContact O-N 2.97Å
79	R	59.6	Low	56.7	Low	121 Å²	121	83.9 Å²	83.9	46%	0.457	44%	0.442	S	S	.	.	H	α-helix	trans	-72.2	-34	178.4	-77.1	-175.4	74.1	152.2	3	112	H75 T76 N77 A83	H75-R79 PolarHBondContact CE1-NH1 2.91Å; H75-R79 PolarHBondContact ND1-NH1 3.32Å; T76-R79 PolarHBondContact O-N 3.48Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R79 PolarHBondContact O-N 2.79Å; R79-A83 VanDerWaalsContact O-CB 3.24Å; R79-A83 WeakPolarHBondContact O-CB 3.32Å; R79-A83 PolarHBondContact O-N 2.88Å
80	V	55.2	Low	57.4	Low	49 Å²	49	79.8 Å²	79.8	30%	0.297	42%	0.417	S	S	.	.	H	α-helix	trans	-74.7	-42.5	178.1	-177.8	0	0	0	0	110.2	I20 N77 A83 R84	I20-V80 HydrophobicContact CG2-CB 4.34Å; I20-V80 HydrophobicContact CG2-CG1 3.46Å; I20-V80 VanDerWaalsContact CG2-CG1 3.46Å; N77-V80 PolarHBondContact O-N 3.46Å; N77-V80 VanDerWaalsContact O-N 3.11Å; V80-A83 WeakPolarHBondContact O-CB 3.22Å; V80-A83 PolarHBondContact O-N 3.39Å; V80-R84 WeakPolarHBondContact O-CB 3.35Å; V80-R84 PolarHBondContact O-N 2.83Å
81	E	59.5	Low	57.9	Low	77 Å²	77	77.4 Å²	77.4	36%	0.36	41%	0.405	S	S	.	.	H	α-helix	trans	-66.2	-37.3	173.3	-73.1	-56.6	136.5	0	0	112.1	N77 R84 K85	N77-E81 PolarHBondContact O-N 3.4Å; E81-R84 PolarHBondContact O-N 2.91Å; E81-R84 IonicContact OE1-NH1 3.98Å; E81-K85 VanDerWaalsContact O-CB 3.26Å; E81-K85 WeakPolarHBondContact O-CB 3.3Å; E81-K85 PolarHBondContact O-N 3.38Å
82	S	64.3	Low	58.8	Low	77 Å²	77	81.3 Å²	81.3	54%	0.538	41%	0.41	S	S	.	.	H	α-helix	trans	-62	-43.5	170.7	178	0	0	0	0	111.7	N78 K85 H86	N78-S82 WeakPolarHBondContact O-CB 3.26Å; N78-S82 PolarHBondContact O-N 2.97Å; S82-K85 PolarHBondContact O-N 3.12Å; S82-H86 WeakPolarHBondContact O-CB 3.45Å; S82-H86 PolarHBondContact O-N 3.01Å
83	A	61.3	Low	59.5	Low	19 Å²	19	88.8 Å²	88.8	16%	0.157	44%	0.435	C	S	.	.	H	α-helix	trans	-60.9	-45.4	174.3	0	0	0	0	0	112.2	Y49 R79 V80 H86 L87	Y49-A83 WeakPolarHBondContact OH-CA 3.41Å; Y49-A83 WeakPolarHBondContact OH-CB 3.29Å; R79-A83 VanDerWaalsContact O-CB 3.24Å; R79-A83 WeakPolarHBondContact O-CB 3.32Å; R79-A83 PolarHBondContact O-N 2.88Å; V80-A83 WeakPolarHBondContact O-CB 3.22Å; V80-A83 PolarHBondContact O-N 3.39Å; A83-H86 PolarHBondContact O-N 3.01Å; A83-L87 WeakPolarHBondContact O-CB 3.3Å; A83-L87 PolarHBondContact O-N 3.49Å
84	R	63.4	Low	60.1	Low	99 Å²	99	86.3 Å²	86.3	37%	0.374	42%	0.417	S	S	.	.	H	α-helix	trans	-63.6	-43.5	177	-174.1	-179	-176.6	178.2	1.5	111.5	V80 E81 L87 K88	V80-R84 WeakPolarHBondContact O-CB 3.35Å; V80-R84 PolarHBondContact O-N 2.83Å; E81-R84 PolarHBondContact O-N 2.91Å; E81-R84 IonicContact OE1-NH1 3.98Å; R84-L87 PolarHBondContact O-N 3.07Å; R84-K88 WeakPolarHBondContact O-CG 3.25Å; R84-K88 PolarHBondContact O-N 3.38Å
85	K	70.6	Confident	60.5	Low	130 Å²	130	80.6 Å²	80.6	57%	0.565	39%	0.394	S	S	*	.	H	α-helix	trans	-60.7	-48.2	175.3	-178.9	177.7	175	-179.5	0	110.6	E81 S82 L87 K88 E89	E81-K85 VanDerWaalsContact O-CB 3.26Å; E81-K85 WeakPolarHBondContact O-CB 3.3Å; E81-K85 PolarHBondContact O-N 3.38Å; S82-K85 PolarHBondContact O-N 3.12Å; K85-L87 VanDerWaalsContact C-N 3.35Å; K85-L87 PolarHBondContact O-N 3.2Å; K85-K88 WeakPolarHBondContact O-CB 3.41Å; K85-K88 PolarHBondContact O-N 2.87Å; K85-E89 WeakPolarHBondContact CE-OE1 3.46Å; K85-E89 WeakPolarHBondContact O-CG 3.29Å; K85-E89 PolarHBondContact O-N 3.35Å
86	H	67.4	Low	60.6	Low	82 Å²	82	83.9 Å²	83.9	38%	0.38	42%	0.421	S	S	.	.	H	α-helix	trans	-62.9	-41.9	179.2	-166.5	71.5	0	0	0	111.9	Y49 S82 A83 E89 C90	Y49-H86 AromaticContact CD2-CD2 3.43Å; Y49-H86 VanDerWaalsContact CD2-CD2 3.43Å; Y49-H86 WeakPolarHBondContact CD2-CD2 3.26Å; Y49-H86 AromaticContact CE2-CD2 3.63Å; S82-H86 WeakPolarHBondContact O-CB 3.45Å; S82-H86 PolarHBondContact O-N 3.01Å; A83-H86 PolarHBondContact O-N 3.01Å; H86-E89 PolarHBondContact O-N 2.84Å; H86-C90 PolarHBondContact O-N 3.43Å; H86-C90 PolarHBondContact O-SG 3.19Å
87	L	64.6	Low	60.6	Low	31 Å²	31	81 Å²	81	16%	0.162	40%	0.402	C	S	.	.	H	α-helix	trans	-61.5	-46.3	174.5	-176.9	63.8	0	0	0	111.1	A46 A83 R84 K85 E89 C90 L91	A46-L87 HydrophobicContact CB-CD1 4.18Å; A83-L87 WeakPolarHBondContact O-CB 3.3Å; A83-L87 PolarHBondContact O-N 3.49Å; R84-L87 PolarHBondContact O-N 3.07Å; K85-L87 VanDerWaalsContact C-N 3.35Å; K85-L87 PolarHBondContact O-N 3.2Å; L87-E89 VanDerWaalsContact C-N 3.29Å; L87-E89 PolarHBondContact O-N 3.49Å; L87-C90 PolarHBondContact O-N 2.98Å; L87-L91 HydrophobicContact CD1-CD1 4.05Å; L87-L91 HydrophobicContact CD1-CG 4.29Å; L87-L91 HydrophobicContact CD2-CD1 4.46Å; L87-L91 HydrophobicContact CG-CD1 3.75Å; L87-L91 HydrophobicContact CG-CG 4.41Å; L87-L91 WeakPolarHBondContact O-CB 3.4Å; L87-L91 WeakPolarHBondContact O-CD1 3.36Å; L87-L91 WeakPolarHBondContact O-CG 3.3Å; L87-L91 PolarHBondContact O-N 3.32Å
88	K	65.1	Low	60.1	Low	82 Å²	82	80.4 Å²	80.4	36%	0.357	40%	0.404	S	S	.	.	H	α-helix	trans	-57.7	-41.2	174.3	-76.7	177.7	174.7	-180	0	111.8	R84 K85 L91 K92 W102	R84-K88 WeakPolarHBondContact O-CG 3.25Å; R84-K88 PolarHBondContact O-N 3.38Å; K85-K88 WeakPolarHBondContact O-CB 3.41Å; K85-K88 PolarHBondContact O-N 2.87Å; K88-L91 PolarHBondContact O-N 2.96Å; K88-K92 WeakPolarHBondContact O-CB 3.06Å; K88-K92 VanDerWaalsContact O-CG 3.29Å; K88-K92 WeakPolarHBondContact O-CG 3.41Å; K88-K92 PolarHBondContact O-N 3.16Å; K88-W102 HydrophobicContact CG-CH2 4.23Å
89	E	68	Low	59	Low	88 Å²	88	82.1 Å²	82.1	41%	0.411	41%	0.412	S	S	.	.	H	α-helix	trans	-66.7	-44.9	177.3	-73.9	169.5	178.9	0	0	112.4	K85 H86 L87 L91 K92 R93	K85-E89 WeakPolarHBondContact CE-OE1 3.46Å; K85-E89 WeakPolarHBondContact O-CG 3.29Å; K85-E89 PolarHBondContact O-N 3.35Å; H86-E89 PolarHBondContact O-N 2.84Å; L87-E89 VanDerWaalsContact C-N 3.29Å; L87-E89 PolarHBondContact O-N 3.49Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 3.36Å; E89-K92 PolarHBondContact O-N 3.24Å; E89-R93 WeakPolarHBondContact O-CG 3.38Å; E89-R93 PolarHBondContact O-N 2.97Å; E89-R93 VanDerWaalsContact O-N 3.07Å
90	C	61.6	Low	58.3	Low	8 Å²	8	81.3 Å²	81.3	5%	0.054	42%	0.421	C	S	.	.	H	α-helix	trans	-58.5	-42.4	173.8	-69.1	0	0	0	0	111.3	L45 A46 H86 L87 R93 S94	L45-C90 HydrophobicContact CB-CB 4.32Å; A46-C90 HydrophobicContact CB-CB 4.28Å; H86-C90 PolarHBondContact O-N 3.43Å; H86-C90 PolarHBondContact O-SG 3.19Å; L87-C90 PolarHBondContact O-N 2.98Å; C90-R93 PolarHBondContact O-N 3.27Å; C90-S94 PolarHBondContact O-N 3.27Å; C90-S94 PolarHBondContact O-OG 3.21Å
91	L	59.6	Low	57.5	Low	15 Å²	15	80.5 Å²	80.5	8%	0.079	41%	0.413	C	S	.	.	H	α-helix	trans	-71.3	-39.7	-179.6	-67.8	165.7	0	0	0	112.2	F31 F43 A46 L87 K88 E89 R93 S94 L97	F31-L91 HydrophobicContact CE2-CD2 4.34Å; F43-L91 HydrophobicContact CD1-CD2 3.75Å; F43-L91 HydrophobicContact CE1-CD2 4.03Å; F43-L91 HydrophobicContact CG-CD2 4.43Å; A46-L91 HydrophobicContact CB-CD2 4.18Å; L87-L91 HydrophobicContact CD1-CD1 4.05Å; L87-L91 HydrophobicContact CD1-CG 4.29Å; L87-L91 HydrophobicContact CD2-CD1 4.46Å; L87-L91 HydrophobicContact CG-CD1 3.75Å; L87-L91 HydrophobicContact CG-CG 4.41Å; L87-L91 WeakPolarHBondContact O-CB 3.4Å; L87-L91 WeakPolarHBondContact O-CD1 3.36Å; L87-L91 WeakPolarHBondContact O-CG 3.3Å; L87-L91 PolarHBondContact O-N 3.32Å; K88-L91 PolarHBondContact O-N 2.96Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 3.36Å; L91-R93 VanDerWaalsContact C-N 3.3Å; L91-R93 PolarHBondContact O-N 2.9Å; L91-S94 PolarHBondContact O-N 3.49Å; L91-L97 HydrophobicContact CB-CD1 3.53Å; L91-L97 HydrophobicContact CB-CG 4.18Å; L91-L97 HydrophobicContact CD1-CD1 3.79Å; L91-L97 HydrophobicContact CD2-CD1 3.88Å; L91-L97 HydrophobicContact CD2-CD2 3.84Å; L91-L97 HydrophobicContact CD2-CG 4.28Å; L91-L97 HydrophobicContact CG-CD1 3.88Å
92	K	63.1	Low	56.6	Low	173 Å²	173	83.9 Å²	83.9	75%	0.752	42%	0.423	S	S	*	.	H	α-helix	trans	-59.6	-39.7	173.7	-80.3	-179.6	177.9	-169	0	112.2	K88 E89 S94	K88-K92 WeakPolarHBondContact O-CB 3.06Å; K88-K92 VanDerWaalsContact O-CG 3.29Å; K88-K92 WeakPolarHBondContact O-CG 3.41Å; K88-K92 PolarHBondContact O-N 3.16Å; E89-K92 PolarHBondContact O-N 3.24Å; K92-S94 VanDerWaalsContact C-N 3.28Å; K92-S94 PolarHBondContact O-N 2.95Å
93	R	59.2	Low	55	Low	210 Å²	210	89.7 Å²	89.7	79%	0.792	44%	0.438	S	S	*	.	H	α-helix	trans	-70.4	-22.6	179.6	-77.8	-177.9	168.4	-180	-2.7	113.8	E89 C90 L91	E89-R93 WeakPolarHBondContact O-CG 3.38Å; E89-R93 PolarHBondContact O-N 2.97Å; E89-R93 VanDerWaalsContact O-N 3.07Å; C90-R93 PolarHBondContact O-N 3.27Å; L91-R93 VanDerWaalsContact C-N 3.3Å; L91-R93 PolarHBondContact O-N 2.9Å
94	S	53.5	Low	53.7	Low	36 Å²	36	94.8 Å²	94.8	25%	0.252	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	14.8	-177.3	-73.8	0	0	0	0	113.9	L42 F43 C90 L91 K92	L42-S94 PolarHBondContact O-OG 3.1Å; F43-S94 WeakPolarHBondContact CD1-OG 3.5Å; C90-S94 PolarHBondContact O-N 3.27Å; C90-S94 PolarHBondContact O-OG 3.21Å; L91-S94 PolarHBondContact O-N 3.49Å; K92-S94 VanDerWaalsContact C-N 3.28Å; K92-S94 PolarHBondContact O-N 2.95Å
95	G	56.2	Low	53.2	Low	31 Å²	31	94.6 Å²	94.6	32%	0.32	47%	0.466	S	S	.	.			trans	95.7	175.2	175.4	0	0	0	0	0	114.1	L97	G95-L97 PolarHBondContact O-N 3.05Å
96	P	52.1	Low	52.3	Low	132 Å²	132	92.7 Å²	92.7	86%	0.857	46%	0.461	S	S	*	.			trans	-62	106.3	-178.2	24.2	-31.5	0	0	0	109.7
97	L	51.6	Low	51.5	Low	30 Å²	30	93.3 Å²	93.3	16%	0.157	47%	0.465	C	S	.	.			trans	-58.4	130.1	167.6	-78.3	172.1	0	0	0	108.5	F43 L91 G95 L99	F43-L97 HydrophobicContact CD1-CD2 4.46Å; F43-L97 HydrophobicContact CE1-CD2 3.57Å; F43-L97 HydrophobicContact CE1-CG 4.19Å; F43-L97 HydrophobicContact CE2-CD2 4.02Å; F43-L97 HydrophobicContact CZ-CD2 3.34Å; F43-L97 HydrophobicContact CZ-CG 4.21Å; L91-L97 HydrophobicContact CB-CD1 3.53Å; L91-L97 HydrophobicContact CB-CG 4.18Å; L91-L97 HydrophobicContact CD1-CD1 3.79Å; L91-L97 HydrophobicContact CD2-CD1 3.88Å; L91-L97 HydrophobicContact CD2-CD2 3.84Å; L91-L97 HydrophobicContact CD2-CG 4.28Å; L91-L97 HydrophobicContact CG-CD1 3.88Å; G95-L97 PolarHBondContact O-N 3.05Å; L97-L99 PolarHBondContact O-N 3.35Å; L97-L99 VanDerWaalsContact O-N 3.14Å
98	P	44.3	Very low	50.7	Low	80 Å²	80	97 Å²	97	52%	0.519	48%	0.483	S	S	.	.			trans	-56.6	126.6	170.9	21.6	-29	0	0	0	108.3	T100 F101	P98-T100 PolarHBondContact O-N 2.92Å; P98-T100 PolarHBondContact O-OG1 3.28Å; P98-F101 PolarHBondContact O-N 2.85Å
99	L	39.7	Very low	49.8	Very low	155 Å²	155	97.9 Å²	97.9	81%	0.812	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-46.5	-16.1	179.8	-88.4	144.8	0	0	0	114.4	L97 F101 W102	L97-L99 PolarHBondContact O-N 3.35Å; L97-L99 VanDerWaalsContact O-N 3.14Å; L99-F101 PolarHBondContact O-N 2.83Å; L99-F101 VanDerWaalsContact O-N 3.17Å; L99-W102 PolarHBondContact O-N 2.94Å
100	T	44.2	Very low	48.6	Very low	104 Å²	104	98.6 Å²	98.6	64%	0.638	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-61.4	-14.5	172.5	53.8	0	0	0	0	114.3	P98	P98-T100 PolarHBondContact O-N 2.92Å; P98-T100 PolarHBondContact O-OG1 3.28Å
101	F	39.5	Very low	47.7	Very low	32 Å²	32	105.1 Å²	105.1	14%	0.14	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-78.7	-20.2	177.9	-125.3	-81.7	0	0	0	115	F31 L39 P98 L99 I104	F31-F101 VanDerWaalsContact CA-CZ 3.43Å; F31-F101 HydrophobicContact CB-CE1 3.73Å; F31-F101 HydrophobicContact CB-CZ 3.6Å; F31-F101 AromaticContact CD2-CE1 3.36Å; F31-F101 HydrophobicContact CD2-CE1 3.36Å; F31-F101 HydrophobicContact CD2-CE2 4.32Å; F31-F101 AromaticContact CD2-CZ 3.14Å; F31-F101 HydrophobicContact CD2-CZ 3.14Å; F31-F101 HydrophobicContact CE2-CE1 4.31Å; F31-F101 AromaticContact CE2-CZ 3.91Å; F31-F101 HydrophobicContact CE2-CZ 3.91Å; F31-F101 AromaticContact CG-CE1 3.95Å; F31-F101 HydrophobicContact CG-CE1 3.95Å; F31-F101 AromaticContact CG-CZ 3.57Å; F31-F101 HydrophobicContact CG-CZ 3.57Å; L39-F101 HydrophobicContact CD1-CE2 4.3Å; L39-F101 HydrophobicContact CD1-CZ 4.22Å; P98-F101 PolarHBondContact O-N 2.85Å; L99-F101 PolarHBondContact O-N 2.83Å; L99-F101 VanDerWaalsContact O-N 3.17Å; F101-I104 WeakPolarHBondContact O-CD1 3.37Å
102	W	39	Very low	46.8	Very low	148 Å²	148	112 Å²	112	56%	0.561	56%	0.562	S	S	*	*	S	Bend	trans	-99.9	-1.3	-174.5	-69.5	98.5	0	0	0	114	K88 L99 I104	K88-W102 HydrophobicContact CG-CH2 4.23Å; L99-W102 PolarHBondContact O-N 2.94Å; W102-I104 PolarHBondContact O-N 2.93Å
103	K	31.4	Very low	45.4	Very low	199 Å²	199	106.9 Å²	106.9	87%	0.865	55%	0.547	S	S	*	.			trans	-95.8	46.2	-179.4	-96.9	-170.6	174.9	-177	0	113.1
104	I	34.5	Very low	44.2	Very low	126 Å²	126	97.5 Å²	97.5	65%	0.646	52%	0.524	S	S	*	.			trans	-122.4	0	169.5	-46.3	117.8	0	0	0	109.4	P26 A30 F101 W102	P26-I104 HydrophobicContact CB-CB 4.2Å; P26-I104 HydrophobicContact CB-CG2 3.24Å; A30-I104 HydrophobicContact CB-CD1 3.07Å; A30-I104 HydrophobicContact CB-CG1 3.63Å; F101-I104 WeakPolarHBondContact O-CD1 3.37Å; W102-I104 PolarHBondContact O-N 2.93Å

Retrieved 104 of 104 residues in 74.7 ms (Link to these results)

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