A0A3Q0KU47_SCHMA Loading...

Succinyl-CoA synthetase beta chain, putative

AlphaFold DB , UniProt , Accession A0A3Q0KU47, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 74 aa.

						>A0A3Q0KU47_SCHMA|A0A3Q0KU47
MRISKTSKVYLETKSLCFTLMHFISIFPRMNQSPEVNRDSINTYVFLMYTKRKSKVFFYIFSFRFNFGIQNFKT
					

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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	53.7	Low	71.8	Confident	239 Å²	239	133.7 Å²	133.7	100%	1.177	65%	0.648	S	S	*	*				0	110.7	0	-142.3	176.4	-165.7	0	0	108.1	I3	M1-I3 PolarHBondContact O-N 3.14Å
2	R	70.6	Confident	71.8	Confident	253 Å²	253	131.6 Å²	131.6	96%	0.955	64%	0.636	S	S	*	*			trans	-79.9	107.7	180	-168	177.6	-169.4	173.6	3.2	108	S4	R2-S4 PolarHBondContact O-N 3.02Å
3	I	64.6	Low	71.9	Confident	104 Å²	104	126.7 Å²	126.7	53%	0.533	62%	0.62	S	S	.	*			trans	-72	125.8	175.9	-57.4	176	0	0	0	107.2	M1 S7 K8 L11	M1-I3 PolarHBondContact O-N 3.14Å; I3-S7 VanDerWaalsContact CG2-CB 3.44Å; I3-K8 HydrophobicContact CG2-CB 4.35Å; I3-L11 HydrophobicContact CD1-CD1 4.42Å; I3-L11 HydrophobicContact CG2-CD1 4.44Å
4	S	76.2	Confident	72	Confident	60 Å²	60	126.1 Å²	126.1	42%	0.42	61%	0.612	S	S	.	*			trans	-62.8	151.7	175.4	70.9	0	0	0	0	110	R2 T6 S7 K8	R2-S4 PolarHBondContact O-N 3.02Å; S4-T6 PolarHBondContact O-N 3.42Å; S4-S7 PolarHBondContact O-N 3.45Å; S4-S7 WeakPolarHBondContact OG-CB 3.35Å; S4-S7 PolarHBondContact OG-N 3.33Å; S4-S7 VanDerWaalsContact OG-N 3.14Å; S4-S7 PolarHBondContact OG-OG 3.37Å; S4-K8 PolarHBondContact O-N 2.87Å
5	K	77.5	Confident	71.8	Confident	192 Å²	192	120.5 Å²	120.5	84%	0.835	59%	0.591	S	S	*	*	H	α-helix	trans	-53.5	-40.4	178.8	-72	-177.2	179.2	179.3	0	111.3	K8 V9	K5-K8 WeakPolarHBondContact O-CB 3.33Å; K5-K8 PolarHBondContact O-N 2.99Å; K5-V9 WeakPolarHBondContact O-CG2 3.48Å; K5-V9 PolarHBondContact O-N 3.34Å; K5-V9 VanDerWaalsContact O-N 3.09Å
6	T	77.6	Confident	71.7	Confident	112 Å²	112	118.6 Å²	118.6	69%	0.687	58%	0.583	S	S	*	*	H	α-helix	trans	-63.7	-43.1	176.5	-43.4	0	0	0	0	112.4	S4 K8 V9 Y10	S4-T6 PolarHBondContact O-N 3.42Å; T6-K8 VanDerWaalsContact C-N 3.3Å; T6-K8 PolarHBondContact O-N 3.19Å; T6-V9 PolarHBondContact O-N 2.89Å; T6-Y10 WeakPolarHBondContact O-CB 3.5Å; T6-Y10 PolarHBondContact O-N 2.98Å
7	S	74.7	Confident	71.5	Confident	54 Å²	54	115.1 Å²	115.1	38%	0.378	57%	0.572	S	S	.	*	H	α-helix	trans	-64.7	-33.9	175.4	-64.6	0	0	0	0	112.2	I3 S4 L11	I3-S7 VanDerWaalsContact CG2-CB 3.44Å; S4-S7 PolarHBondContact O-N 3.45Å; S4-S7 WeakPolarHBondContact OG-CB 3.35Å; S4-S7 PolarHBondContact OG-N 3.33Å; S4-S7 VanDerWaalsContact OG-N 3.14Å; S4-S7 PolarHBondContact OG-OG 3.37Å; S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 WeakPolarHBondContact O-CG 3.19Å; S7-L11 PolarHBondContact O-N 2.85Å
8	K	75.9	Confident	71.2	Confident	125 Å²	125	111.2 Å²	111.2	54%	0.543	55%	0.552	S	S	.	*	H	α-helix	trans	-63.9	-50.7	174.5	-173.6	-176.1	175.3	-171.9	0	111.1	I3 S4 K5 T6 Y10 L11 E12	I3-K8 HydrophobicContact CG2-CB 4.35Å; S4-K8 PolarHBondContact O-N 2.87Å; K5-K8 WeakPolarHBondContact O-CB 3.33Å; K5-K8 PolarHBondContact O-N 2.99Å; T6-K8 VanDerWaalsContact C-N 3.3Å; T6-K8 PolarHBondContact O-N 3.19Å; K8-Y10 VanDerWaalsContact C-N 3.32Å; K8-Y10 PolarHBondContact O-N 3.2Å; K8-L11 PolarHBondContact O-N 2.8Å; K8-E12 VanDerWaalsContact CE-OE1 3.23Å; K8-E12 WeakPolarHBondContact CE-OE1 3.21Å; K8-E12 WeakPolarHBondContact O-CG 3.48Å; K8-E12 PolarHBondContact O-N 3.14Å
9	V	73	Confident	70.9	Confident	83 Å²	83	105.7 Å²	105.7	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-59.8	-44.8	177.1	176.5	0	0	0	0	110.3	K5 T6 L11 E12 T13	K5-V9 WeakPolarHBondContact O-CG2 3.48Å; K5-V9 PolarHBondContact O-N 3.34Å; K5-V9 VanDerWaalsContact O-N 3.09Å; T6-V9 PolarHBondContact O-N 2.89Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 3.43Å; V9-E12 PolarHBondContact O-N 3.09Å; V9-E12 VanDerWaalsContact O-N 3.14Å; V9-T13 WeakPolarHBondContact O-CB 3.44Å; V9-T13 PolarHBondContact O-N 2.99Å; V9-T13 PolarHBondContact O-OG1 3.12Å
10	Y	74.3	Confident	70.6	Confident	154 Å²	154	104.2 Å²	104.2	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-58.6	-41.8	177.2	-178.3	-101.3	0	0	0	112.8	T6 K8 K14	T6-Y10 WeakPolarHBondContact O-CB 3.5Å; T6-Y10 PolarHBondContact O-N 2.98Å; K8-Y10 VanDerWaalsContact C-N 3.32Å; K8-Y10 PolarHBondContact O-N 3.2Å; Y10-K14 HydrophobicContact CE1-CD 4.32Å; Y10-K14 WeakPolarHBondContact O-CB 3.23Å; Y10-K14 PolarHBondContact O-N 3.25Å
11	L	71.4	Confident	70.3	Confident	95 Å²	95	105 Å²	105	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-40.6	176	-73.5	168.5	0	0	0	112	I3 S7 K8 V9 S15	I3-L11 HydrophobicContact CD1-CD1 4.42Å; I3-L11 HydrophobicContact CG2-CD1 4.44Å; S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 WeakPolarHBondContact O-CG 3.19Å; S7-L11 PolarHBondContact O-N 2.85Å; K8-L11 PolarHBondContact O-N 2.8Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 3.43Å; L11-S15 WeakPolarHBondContact O-CB 3.45Å; L11-S15 PolarHBondContact O-N 3.35Å
12	E	72.2	Confident	70.6	Confident	108 Å²	108	96 Å²	96	51%	0.505	48%	0.477	S	S	.	.	H	α-helix	trans	-65.7	-46.3	176	-72.5	175.3	167.5	0	0	111.4	K8 V9 S15 L16	K8-E12 VanDerWaalsContact CE-OE1 3.23Å; K8-E12 WeakPolarHBondContact CE-OE1 3.21Å; K8-E12 WeakPolarHBondContact O-CG 3.48Å; K8-E12 PolarHBondContact O-N 3.14Å; V9-E12 PolarHBondContact O-N 3.09Å; V9-E12 VanDerWaalsContact O-N 3.14Å; E12-S15 WeakPolarHBondContact O-CB 3.48Å; E12-S15 PolarHBondContact O-N 3.36Å; E12-L16 PolarHBondContact O-N 3.37Å
13	T	72.6	Confident	70.1	Confident	68 Å²	68	86.7 Å²	86.7	42%	0.417	44%	0.444	S	S	.	.	H	α-helix	trans	-62.7	-44.4	175.7	-53.5	0	0	0	0	111.3	V9 S15 L16 C17	V9-T13 WeakPolarHBondContact O-CB 3.44Å; V9-T13 PolarHBondContact O-N 2.99Å; V9-T13 PolarHBondContact O-OG1 3.12Å; T13-S15 VanDerWaalsContact C-N 3.28Å; T13-S15 PolarHBondContact O-N 2.97Å; T13-L16 PolarHBondContact O-N 3.34Å; T13-L16 VanDerWaalsContact O-N 3.17Å; T13-C17 WeakPolarHBondContact O-CB 3.25Å; T13-C17 PolarHBondContact O-N 2.86Å; T13-C17 PolarHBondContact O-SG 3.37Å; T13-C17 VanDerWaalsContact O-SG 3.34Å
14	K	72.9	Confident	70.1	Confident	119 Å²	119	87.3 Å²	87.3	52%	0.517	45%	0.447	S	S	.	.	H	α-helix	trans	-61.3	-38.2	175.7	-174.3	175.2	-178.1	177.4	0	111.7	Y10 F18	Y10-K14 HydrophobicContact CE1-CD 4.32Å; Y10-K14 WeakPolarHBondContact O-CB 3.23Å; Y10-K14 PolarHBondContact O-N 3.25Å; K14-F18 VanDerWaalsContact O-CB 3.25Å; K14-F18 WeakPolarHBondContact O-CB 3.46Å; K14-F18 PolarHBondContact O-N 2.91Å; K14-F18 VanDerWaalsContact O-N 3.12Å
15	S	70.2	Confident	69.3	Low	42 Å²	42	87.9 Å²	87.9	29%	0.294	45%	0.451	S	S	.	.	H	α-helix	trans	-63.1	-47.4	173.8	-169.6	0	0	0	0	111.1	L11 E12 T13 F18 T19	L11-S15 WeakPolarHBondContact O-CB 3.45Å; L11-S15 PolarHBondContact O-N 3.35Å; E12-S15 WeakPolarHBondContact O-CB 3.48Å; E12-S15 PolarHBondContact O-N 3.36Å; T13-S15 VanDerWaalsContact C-N 3.28Å; T13-S15 PolarHBondContact O-N 2.97Å; S15-F18 PolarHBondContact O-N 3.22Å; S15-T19 PolarHBondContact O-N 2.84Å; S15-T19 PolarHBondContact O-OG1 3.13Å
16	L	68.9	Low	68.3	Low	89 Å²	89	79.8 Å²	79.8	47%	0.466	42%	0.416	S	S	.	.	H	α-helix	trans	-63.6	-48.6	179.4	-174.1	70.6	0	0	0	112.7	E12 T13 F18 T19 L20	E12-L16 PolarHBondContact O-N 3.37Å; T13-L16 PolarHBondContact O-N 3.34Å; T13-L16 VanDerWaalsContact O-N 3.17Å; L16-F18 VanDerWaalsContact C-N 3.25Å; L16-F18 PolarHBondContact O-N 2.95Å; L16-T19 WeakPolarHBondContact O-CB 3.49Å; L16-T19 PolarHBondContact O-N 3.47Å; L16-T19 VanDerWaalsContact O-N 3.12Å; L16-L20 HydrophobicContact CG-CD1 4.24Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 3.26Å
17	C	68.8	Low	67.2	Low	59 Å²	59	77.1 Å²	77.1	40%	0.399	40%	0.395	S	S	.	.	H	α-helix	trans	-59.2	-39.1	177.3	-69.7	0	0	0	0	111.4	T13 L20 M21	T13-C17 WeakPolarHBondContact O-CB 3.25Å; T13-C17 PolarHBondContact O-N 2.86Å; T13-C17 PolarHBondContact O-SG 3.37Å; T13-C17 VanDerWaalsContact O-SG 3.34Å; C17-L20 PolarHBondContact O-N 2.84Å; C17-M21 WeakPolarHBondContact O-CB 3.35Å; C17-M21 WeakPolarHBondContact O-CG 3.46Å; C17-M21 PolarHBondContact O-N 3.17Å
18	F	66.5	Low	66.3	Low	45 Å²	45	78.6 Å²	78.6	20%	0.197	40%	0.403	C	S	.	.	H	α-helix	trans	-65.8	-45.5	174.4	-175.2	-93.9	0	0	0	111.3	K14 S15 L16 L20 M21 H22 M48 F57	K14-F18 VanDerWaalsContact O-CB 3.25Å; K14-F18 WeakPolarHBondContact O-CB 3.46Å; K14-F18 PolarHBondContact O-N 2.91Å; K14-F18 VanDerWaalsContact O-N 3.12Å; S15-F18 PolarHBondContact O-N 3.22Å; L16-F18 VanDerWaalsContact C-N 3.25Å; L16-F18 PolarHBondContact O-N 2.95Å; F18-L20 VanDerWaalsContact C-N 3.27Å; F18-L20 PolarHBondContact O-N 2.88Å; F18-M21 PolarHBondContact O-N 3.12Å; F18-H22 AromaticContact CD1-CD2 3.52Å; F18-H22 AromaticContact CD2-CD2 3.64Å; F18-H22 AromaticContact CD2-NE2 3.59Å; F18-H22 AromaticContact CE1-CD2 3.34Å; F18-H22 WeakPolarHBondContact CE1-CD2 3.31Å; F18-H22 AromaticContact CE1-NE2 3.53Å; F18-H22 AromaticContact CE2-CD2 3.49Å; F18-H22 VanDerWaalsContact CE2-CD2 3.49Å; F18-H22 WeakPolarHBondContact CE2-CD2 3.37Å; F18-H22 AromaticContact CE2-NE2 2.99Å; F18-H22 WeakPolarHBondContact CE2-NE2 2.99Å; F18-H22 AromaticContact CG-CD2 3.68Å; F18-H22 AromaticContact CZ-CD2 3.35Å; F18-H22 WeakPolarHBondContact CZ-CD2 3.36Å; F18-H22 AromaticContact CZ-NE2 2.97Å; F18-H22 WeakPolarHBondContact CZ-NE2 2.97Å; F18-H22 WeakPolarHBondContact O-CB 2.96Å; F18-H22 PolarHBondContact O-CD2 3.14Å; F18-H22 PolarHBondContact O-N 2.93Å; F18-M48 HydrophobicContact CE1-CE 3.67Å; F18-M48 HydrophobicContact CE1-SD 3.61Å; F18-M48 HydrophobicContact CZ-CE 3.55Å; F18-M48 HydrophobicContact CZ-SD 4.01Å; F18-F57 HydrophobicContact CD1-CE1 4.41Å; F18-F57 AromaticContact CD1-CE2 3.79Å; F18-F57 HydrophobicContact CD1-CE2 3.79Å; F18-F57 AromaticContact CD1-CZ 3.49Å; F18-F57 HydrophobicContact CD1-CZ 3.49Å; F18-F57 VanDerWaalsContact CD1-CZ 3.49Å; F18-F57 HydrophobicContact CE1-CE1 4.31Å; F18-F57 HydrophobicContact CE1-CE2 4.43Å; F18-F57 AromaticContact CE1-CZ 3.81Å; F18-F57 HydrophobicContact CE1-CZ 3.81Å
19	T	66.2	Low	65.2	Low	8 Å²	8	81 Å²	81	5%	0.049	41%	0.409	C	S	.	.	H	α-helix	trans	-55	-43.9	172.8	-51.2	0	0	0	0	111.6	S15 L16 F23 F57	S15-T19 PolarHBondContact O-N 2.84Å; S15-T19 PolarHBondContact O-OG1 3.13Å; L16-T19 WeakPolarHBondContact O-CB 3.49Å; L16-T19 PolarHBondContact O-N 3.47Å; L16-T19 VanDerWaalsContact O-N 3.12Å; T19-F23 WeakPolarHBondContact O-CB 3.45Å; T19-F23 PolarHBondContact O-N 2.94Å; T19-F57 WeakPolarHBondContact OG1-CE2 3.3Å
20	L	63.1	Low	64.2	Low	74 Å²	74	78 Å²	78	39%	0.387	39%	0.39	S	S	.	.	H	α-helix	trans	-68.4	-50.5	-179.3	-73.7	170.4	0	0	0	112.6	L16 C17 F18 H22 F23 I24	L16-L20 HydrophobicContact CG-CD1 4.24Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 3.26Å; C17-L20 PolarHBondContact O-N 2.84Å; F18-L20 VanDerWaalsContact C-N 3.27Å; F18-L20 PolarHBondContact O-N 2.88Å; L20-H22 PolarHBondContact O-N 3.33Å; L20-F23 WeakPolarHBondContact O-CB 3.44Å; L20-F23 PolarHBondContact O-N 3Å; L20-F23 VanDerWaalsContact O-N 3.13Å; L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.34Å; L20-I24 PolarHBondContact O-N 2.89Å
21	M	65.8	Low	63.3	Low	123 Å²	123	75.5 Å²	75.5	61%	0.606	39%	0.387	S	S	*	.	H	α-helix	trans	-55.6	-40.4	175.9	-78.6	-165.5	-87.2	0	0	111	C17 F18 I24 S25	C17-M21 WeakPolarHBondContact O-CB 3.35Å; C17-M21 WeakPolarHBondContact O-CG 3.46Å; C17-M21 PolarHBondContact O-N 3.17Å; F18-M21 PolarHBondContact O-N 3.12Å; M21-I24 PolarHBondContact O-N 2.95Å; M21-S25 PolarHBondContact O-N 2.99Å; M21-S25 VanDerWaalsContact O-N 3.09Å; M21-S25 PolarHBondContact O-OG 3.18Å
22	H	58.7	Low	62.6	Low	48 Å²	48	78.9 Å²	78.9	22%	0.222	40%	0.4	C	S	.	.	H	α-helix	trans	-73	-35.8	178.2	-80.6	-69.9	0	0	0	113.8	F18 L20 I24 S25 I26 Y44	F18-H22 AromaticContact CD1-CD2 3.52Å; F18-H22 AromaticContact CD2-CD2 3.64Å; F18-H22 AromaticContact CD2-NE2 3.59Å; F18-H22 AromaticContact CE1-CD2 3.34Å; F18-H22 WeakPolarHBondContact CE1-CD2 3.31Å; F18-H22 AromaticContact CE1-NE2 3.53Å; F18-H22 AromaticContact CE2-CD2 3.49Å; F18-H22 VanDerWaalsContact CE2-CD2 3.49Å; F18-H22 WeakPolarHBondContact CE2-CD2 3.37Å; F18-H22 AromaticContact CE2-NE2 2.99Å; F18-H22 WeakPolarHBondContact CE2-NE2 2.99Å; F18-H22 AromaticContact CG-CD2 3.68Å; F18-H22 AromaticContact CZ-CD2 3.35Å; F18-H22 WeakPolarHBondContact CZ-CD2 3.36Å; F18-H22 AromaticContact CZ-NE2 2.97Å; F18-H22 WeakPolarHBondContact CZ-NE2 2.97Å; F18-H22 WeakPolarHBondContact O-CB 2.96Å; F18-H22 PolarHBondContact O-CD2 3.14Å; F18-H22 PolarHBondContact O-N 2.93Å; L20-H22 PolarHBondContact O-N 3.33Å; H22-I24 VanDerWaalsContact C-N 3.33Å; H22-S25 PolarHBondContact O-N 3.12Å; H22-I26 WeakPolarHBondContact O-CB 3.35Å; H22-I26 VanDerWaalsContact O-CG1 3.27Å; H22-I26 WeakPolarHBondContact O-CG1 3.39Å; H22-I26 PolarHBondContact O-N 3.24Å; H22-Y44 VanDerWaalsContact CB-OH 3.31Å; H22-Y44 WeakPolarHBondContact CB-OH 3.32Å; H22-Y44 PolarHBondContact CD2-OH 3.34Å; H22-Y44 PolarHBondContact CE1-OH 3.09Å; H22-Y44 AromaticContact CG-CZ 3.99Å; H22-Y44 AromaticContact ND1-CE2 3.93Å; H22-Y44 AromaticContact ND1-CZ 3.75Å; H22-Y44 PolarHBondContact ND1-OH 3.22Å
23	F	61.4	Low	62	Low	59 Å²	59	76.2 Å²	76.2	26%	0.259	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-45.1	172.3	-170.1	-91.9	0	0	0	110.8	T19 L20 S25 I26 F27 R64	T19-F23 WeakPolarHBondContact O-CB 3.45Å; T19-F23 PolarHBondContact O-N 2.94Å; L20-F23 WeakPolarHBondContact O-CB 3.44Å; L20-F23 PolarHBondContact O-N 3Å; L20-F23 VanDerWaalsContact O-N 3.13Å; F23-S25 VanDerWaalsContact C-N 3.26Å; F23-S25 PolarHBondContact O-N 3.37Å; F23-I26 PolarHBondContact O-N 3.24Å; F23-I26 VanDerWaalsContact O-N 3.16Å; F23-F27 AromaticContact CD1-CD2 3.56Å; F23-F27 HydrophobicContact CD1-CD2 3.56Å; F23-F27 AromaticContact CD1-CE2 3.93Å; F23-F27 HydrophobicContact CD1-CE2 3.93Å; F23-F27 HydrophobicContact CD1-CG 4.03Å; F23-F27 AromaticContact CD2-CD2 3.73Å; F23-F27 HydrophobicContact CD2-CD2 3.73Å; F23-F27 AromaticContact CD2-CE2 3.53Å; F23-F27 HydrophobicContact CD2-CE2 3.53Å; F23-F27 HydrophobicContact CD2-CZ 4.48Å; F23-F27 HydrophobicContact CE1-CD1 4.04Å; F23-F27 AromaticContact CE1-CD2 3.37Å; F23-F27 HydrophobicContact CE1-CD2 3.37Å; F23-F27 AromaticContact CE1-CE1 3.97Å; F23-F27 HydrophobicContact CE1-CE1 3.97Å; F23-F27 AromaticContact CE1-CE2 3.38Å; F23-F27 HydrophobicContact CE1-CE2 3.38Å; F23-F27 AromaticContact CE1-CG 3.73Å; F23-F27 HydrophobicContact CE1-CG 3.73Å; F23-F27 AromaticContact CE1-CZ 3.63Å; F23-F27 HydrophobicContact CE1-CZ 3.63Å; F23-F27 AromaticContact CE2-CD2 3.59Å; F23-F27 HydrophobicContact CE2-CD2 3.59Å; F23-F27 AromaticContact CE2-CE2 2.94Å; F23-F27 HydrophobicContact CE2-CE2 2.94Å; F23-F27 AromaticContact CE2-CZ 3.53Å; F23-F27 HydrophobicContact CE2-CZ 3.53Å; F23-F27 AromaticContact CG-CD2 3.76Å; F23-F27 HydrophobicContact CG-CD2 3.76Å; F23-F27 HydrophobicContact CG-CE2 4.02Å; F23-F27 HydrophobicContact CZ-CD1 4.29Å; F23-F27 AromaticContact CZ-CD2 3.44Å; F23-F27 HydrophobicContact CZ-CD2 3.44Å; F23-F27 VanDerWaalsContact CZ-CD2 3.44Å; F23-F27 AromaticContact CZ-CE1 3.8Å; F23-F27 HydrophobicContact CZ-CE1 3.8Å; F23-F27 AromaticContact CZ-CE2 2.88Å; F23-F27 HydrophobicContact CZ-CE2 2.88Å; F23-F27 HydrophobicContact CZ-CG 4.12Å; F23-F27 AromaticContact CZ-CZ 3.03Å; F23-F27 HydrophobicContact CZ-CZ 3.03Å; F23-F27 WeakPolarHBondContact O-CB 3.44Å; F23-F27 PolarHBondContact O-N 3.43Å; F23-R64 HydrophobicContact CE2-CB 4.34Å
24	I	63.5	Low	61.3	Low	117 Å²	117	77.7 Å²	77.7	60%	0.6	41%	0.405	S	S	*	.	H	α-helix	trans	-63	-31.6	176.3	-63	162.8	0	0	0	111.5	L20 M21 H22 P28	L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.34Å; L20-I24 PolarHBondContact O-N 2.89Å; M21-I24 PolarHBondContact O-N 2.95Å; H22-I24 VanDerWaalsContact C-N 3.33Å; I24-P28 WeakPolarHBondContact O-CD 3.4Å; I24-P28 WeakPolarHBondContact O-CG 3.16Å
25	S	61	Low	60.6	Low	72 Å²	72	79.5 Å²	79.5	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-78.3	-25.5	175.6	-61.6	0	0	0	0	114.2	M21 H22 F23	M21-S25 PolarHBondContact O-N 2.99Å; M21-S25 VanDerWaalsContact O-N 3.09Å; M21-S25 PolarHBondContact O-OG 3.18Å; H22-S25 PolarHBondContact O-N 3.12Å; F23-S25 VanDerWaalsContact C-N 3.26Å; F23-S25 PolarHBondContact O-N 3.37Å
26	I	56.2	Low	59.7	Low	21 Å²	21	81.9 Å²	81.9	11%	0.108	43%	0.427	C	S	.	.	H	α-helix	trans	-95.9	-36.8	-175.6	-65	169.4	0	0	0	111.6	H22 F23 R29 M30 I41 Y44 F61 F65	H22-I26 WeakPolarHBondContact O-CB 3.35Å; H22-I26 VanDerWaalsContact O-CG1 3.27Å; H22-I26 WeakPolarHBondContact O-CG1 3.39Å; H22-I26 PolarHBondContact O-N 3.24Å; F23-I26 PolarHBondContact O-N 3.24Å; F23-I26 VanDerWaalsContact O-N 3.16Å; I26-R29 WeakPolarHBondContact O-CB 3.01Å; I26-R29 PolarHBondContact O-N 3.02Å; I26-R29 VanDerWaalsContact O-N 3.13Å; I26-M30 HydrophobicContact CG2-CG 4.39Å; I26-M30 PolarHBondContact O-N 3.4Å; I26-I41 HydrophobicContact CG2-CD1 3.87Å; I26-I41 HydrophobicContact CG2-CG1 3.82Å; I26-Y44 HydrophobicContact CD1-CD1 3.81Å; I26-Y44 HydrophobicContact CD1-CD2 4.49Å; I26-Y44 HydrophobicContact CD1-CE1 3.76Å; I26-Y44 HydrophobicContact CD1-CE2 4.44Å; I26-Y44 HydrophobicContact CD1-CG 4.18Å; I26-F61 HydrophobicContact CD1-CE2 3.86Å; I26-F61 HydrophobicContact CD1-CZ 3.45Å; I26-F61 VanDerWaalsContact CD1-CZ 3.45Å; I26-F65 HydrophobicContact CG2-CD2 4.43Å; I26-F65 HydrophobicContact CG2-CE2 3.94Å
27	F	54.4	Low	59.3	Low	57 Å²	57	78.2 Å²	78.2	25%	0.25	41%	0.408	C	S	.	.	H	α-helix	trans	-56.8	-48.3	179.1	-103.6	-108.2	0	0	0	115.4	F23 R29 M30 N31	F23-F27 AromaticContact CD1-CD2 3.56Å; F23-F27 HydrophobicContact CD1-CD2 3.56Å; F23-F27 AromaticContact CD1-CE2 3.93Å; F23-F27 HydrophobicContact CD1-CE2 3.93Å; F23-F27 HydrophobicContact CD1-CG 4.03Å; F23-F27 AromaticContact CD2-CD2 3.73Å; F23-F27 HydrophobicContact CD2-CD2 3.73Å; F23-F27 AromaticContact CD2-CE2 3.53Å; F23-F27 HydrophobicContact CD2-CE2 3.53Å; F23-F27 HydrophobicContact CD2-CZ 4.48Å; F23-F27 HydrophobicContact CE1-CD1 4.04Å; F23-F27 AromaticContact CE1-CD2 3.37Å; F23-F27 HydrophobicContact CE1-CD2 3.37Å; F23-F27 AromaticContact CE1-CE1 3.97Å; F23-F27 HydrophobicContact CE1-CE1 3.97Å; F23-F27 AromaticContact CE1-CE2 3.38Å; F23-F27 HydrophobicContact CE1-CE2 3.38Å; F23-F27 AromaticContact CE1-CG 3.73Å; F23-F27 HydrophobicContact CE1-CG 3.73Å; F23-F27 AromaticContact CE1-CZ 3.63Å; F23-F27 HydrophobicContact CE1-CZ 3.63Å; F23-F27 AromaticContact CE2-CD2 3.59Å; F23-F27 HydrophobicContact CE2-CD2 3.59Å; F23-F27 AromaticContact CE2-CE2 2.94Å; F23-F27 HydrophobicContact CE2-CE2 2.94Å; F23-F27 AromaticContact CE2-CZ 3.53Å; F23-F27 HydrophobicContact CE2-CZ 3.53Å; F23-F27 AromaticContact CG-CD2 3.76Å; F23-F27 HydrophobicContact CG-CD2 3.76Å; F23-F27 HydrophobicContact CG-CE2 4.02Å; F23-F27 HydrophobicContact CZ-CD1 4.29Å; F23-F27 AromaticContact CZ-CD2 3.44Å; F23-F27 HydrophobicContact CZ-CD2 3.44Å; F23-F27 VanDerWaalsContact CZ-CD2 3.44Å; F23-F27 AromaticContact CZ-CE1 3.8Å; F23-F27 HydrophobicContact CZ-CE1 3.8Å; F23-F27 AromaticContact CZ-CE2 2.88Å; F23-F27 HydrophobicContact CZ-CE2 2.88Å; F23-F27 HydrophobicContact CZ-CG 4.12Å; F23-F27 AromaticContact CZ-CZ 3.03Å; F23-F27 HydrophobicContact CZ-CZ 3.03Å; F23-F27 WeakPolarHBondContact O-CB 3.44Å; F23-F27 PolarHBondContact O-N 3.43Å; F27-R29 PolarHBondContact O-N 3.46Å; F27-M30 HydrophobicContact CD1-CE 4.1Å; F27-M30 HydrophobicContact CD2-CE 3.47Å; F27-M30 VanDerWaalsContact CD2-CE 3.47Å; F27-M30 HydrophobicContact CE1-CE 3.93Å; F27-M30 HydrophobicContact CE2-CE 3.17Å; F27-M30 HydrophobicContact CG-CE 3.92Å; F27-M30 HydrophobicContact CZ-CE 3.49Å; F27-M30 VanDerWaalsContact CZ-CE 3.49Å; F27-M30 WeakPolarHBondContact O-CB 3.35Å; F27-M30 PolarHBondContact O-N 2.82Å; F27-N31 PolarHBondContact O-OD1 2.93Å
28	P	54.5	Low	58.9	Low	84 Å²	84	83.4 Å²	83.4	55%	0.545	42%	0.419	S	S	.	.	H	α-helix	trans	-65.6	-26.5	177.9	23.5	-31	0	0	0	112.1	I24	I24-P28 WeakPolarHBondContact O-CD 3.4Å; I24-P28 WeakPolarHBondContact O-CG 3.16Å
29	R	53.3	Low	58.8	Low	175 Å²	175	86.5 Å²	86.5	66%	0.66	44%	0.438	S	S	*	.	H	α-helix	trans	-72.8	-31.2	173	-86	176.9	162.4	169.5	-5.1	112.5	I26 F27 N31 Q32 N37	I26-R29 WeakPolarHBondContact O-CB 3.01Å; I26-R29 PolarHBondContact O-N 3.02Å; I26-R29 VanDerWaalsContact O-N 3.13Å; F27-R29 PolarHBondContact O-N 3.46Å; R29-N31 PolarHBondContact O-N 3.01Å; R29-Q32 PolarHBondContact O-N 3.46Å; R29-Q32 VanDerWaalsContact O-N 3.14Å; R29-N37 PolarHBondContact O-ND2 3.13Å; R29-N37 PolarHBondContact O-OD1 3.16Å; R29-N37 VanDerWaalsContact O-OD1 3.04Å
30	M	52.7	Low	58.7	Low	21 Å²	21	89.2 Å²	89.2	10%	0.103	46%	0.458	C	S	.	.	H	α-helix	trans	-56.8	-33.2	175.3	-75.2	-147.8	-81.7	0	0	114.1	I26 F27 Q32 N37 I41 F65 I69	I26-M30 HydrophobicContact CG2-CG 4.39Å; I26-M30 PolarHBondContact O-N 3.4Å; F27-M30 HydrophobicContact CD1-CE 4.1Å; F27-M30 HydrophobicContact CD2-CE 3.47Å; F27-M30 VanDerWaalsContact CD2-CE 3.47Å; F27-M30 HydrophobicContact CE1-CE 3.93Å; F27-M30 HydrophobicContact CE2-CE 3.17Å; F27-M30 HydrophobicContact CG-CE 3.92Å; F27-M30 HydrophobicContact CZ-CE 3.49Å; F27-M30 VanDerWaalsContact CZ-CE 3.49Å; F27-M30 WeakPolarHBondContact O-CB 3.35Å; F27-M30 PolarHBondContact O-N 2.82Å; M30-Q32 VanDerWaalsContact C-N 3.25Å; M30-Q32 PolarHBondContact O-N 2.89Å; M30-N37 VanDerWaalsContact CA-CG 3.43Å; M30-N37 WeakPolarHBondContact CA-ND2 3.35Å; M30-N37 HydrophobicContact CG-CB 4.42Å; M30-N37 PolarHBondContact N-OD1 2.93Å; M30-N37 PolarHBondContact O-ND2 2.97Å; M30-N37 VanDerWaalsContact O-ND2 3.1Å; M30-I41 HydrophobicContact CG-CD1 4.27Å; M30-F65 HydrophobicContact CE-CD2 4.03Å; M30-F65 HydrophobicContact CE-CE2 3.54Å; M30-F65 HydrophobicContact CE-CZ 4.21Å; M30-F65 HydrophobicContact CG-CE2 3.87Å; M30-F65 HydrophobicContact CG-CZ 4.14Å; M30-F65 HydrophobicContact SD-CD2 4.05Å; M30-F65 HydrophobicContact SD-CE1 4.29Å; M30-F65 HydrophobicContact SD-CE2 3.05Å; M30-F65 WeakPolarHBondContact SD-CE2 3.31Å; M30-F65 HydrophobicContact SD-CZ 3.17Å; M30-F65 WeakPolarHBondContact SD-CZ 3.4Å; M30-I69 HydrophobicContact CE-CG1 4.39Å; M30-I69 HydrophobicContact SD-CD1 4.07Å; M30-I69 HydrophobicContact SD-CG1 3.57Å; M30-I69 VanDerWaalsContact SD-CG1 3.57Å
31	N	56	Low	58.8	Low	102 Å²	102	86.1 Å²	86.1	55%	0.545	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.5	-179	-73.8	40.2	0	0	0	114	F27 R29	F27-N31 PolarHBondContact O-OD1 2.93Å; R29-N31 PolarHBondContact O-N 3.01Å
32	Q	56.5	Low	58.8	Low	165 Å²	165	85 Å²	85	77%	0.771	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-30.2	-171.6	-73.1	-177.2	-26.4	0	0	114.4	R29 M30	R29-Q32 PolarHBondContact O-N 3.46Å; R29-Q32 VanDerWaalsContact O-N 3.14Å; M30-Q32 VanDerWaalsContact C-N 3.25Å; M30-Q32 PolarHBondContact O-N 2.89Å
33	S	59.6	Low	59.2	Low	52 Å²	52	86.8 Å²	86.8	36%	0.364	45%	0.452	S	S	.	.			trans	-172.9	106.7	176.8	-150.4	0	0	0	0	112.5	E35 V36 N37	S33-E35 VanDerWaalsContact C-N 3.26Å; S33-E35 PolarHBondContact O-N 3.5Å; S33-E35 VanDerWaalsContact O-N 3.14Å; S33-V36 PolarHBondContact O-N 3.08Å; S33-N37 VanDerWaalsContact C-ND2 3.31Å; S33-N37 PolarHBondContact O-N 3.05Å; S33-N37 VanDerWaalsContact O-N 3.12Å; S33-N37 PolarHBondContact O-ND2 2.85Å
34	P	57.8	Low	59.2	Low	100 Å²	100	85.9 Å²	85.9	65%	0.649	45%	0.447	S	S	*	.	H	α-helix	trans	-60.8	-28.9	-169.2	22.5	-33.1	0	0	0	114.6	R38	P34-R38 PolarHBondContact O-N 3.01Å
35	E	56.7	Low	59.2	Low	156 Å²	156	80.9 Å²	80.9	73%	0.729	42%	0.422	S	S	*	.	H	α-helix	trans	-72.5	-49.9	179	-72.6	179.7	108.8	0	0	112.3	S33 N37 R38	S33-E35 VanDerWaalsContact C-N 3.26Å; S33-E35 PolarHBondContact O-N 3.5Å; S33-E35 VanDerWaalsContact O-N 3.14Å; E35-N37 PolarHBondContact O-N 3.37Å; E35-R38 PolarHBondContact O-N 3.39Å; E35-R38 VanDerWaalsContact O-N 3.09Å
36	V	52.6	Low	59.4	Low	92 Å²	92	83.9 Å²	83.9	56%	0.558	43%	0.426	S	S	*	.	H	α-helix	trans	-61.2	-30.7	175.6	-178.1	0	0	0	0	111.1	S33 S40	S33-V36 PolarHBondContact O-N 3.08Å; V36-S40 VanDerWaalsContact O-CB 3.31Å; V36-S40 WeakPolarHBondContact O-CB 3.42Å; V36-S40 PolarHBondContact O-N 3.07Å; V36-S40 VanDerWaalsContact O-N 3.14Å; V36-S40 PolarHBondContact O-OG 3.28Å
37	N	59.9	Low	59.7	Low	13 Å²	13	86 Å²	86	7%	0.07	44%	0.438	C	S	.	.	H	α-helix	trans	-66.5	-44.7	175.5	-76.7	-58.2	0	0	0	111.9	R29 M30 S33 E35 D39 S40 I41	R29-N37 PolarHBondContact O-ND2 3.13Å; R29-N37 PolarHBondContact O-OD1 3.16Å; R29-N37 VanDerWaalsContact O-OD1 3.04Å; M30-N37 VanDerWaalsContact CA-CG 3.43Å; M30-N37 WeakPolarHBondContact CA-ND2 3.35Å; M30-N37 HydrophobicContact CG-CB 4.42Å; M30-N37 PolarHBondContact N-OD1 2.93Å; M30-N37 PolarHBondContact O-ND2 2.97Å; M30-N37 VanDerWaalsContact O-ND2 3.1Å; S33-N37 VanDerWaalsContact C-ND2 3.31Å; S33-N37 PolarHBondContact O-N 3.05Å; S33-N37 VanDerWaalsContact O-N 3.12Å; S33-N37 PolarHBondContact O-ND2 2.85Å; E35-N37 PolarHBondContact O-N 3.37Å; N37-D39 PolarHBondContact O-N 3.45Å; N37-S40 PolarHBondContact O-N 3.26Å; N37-I41 VanDerWaalsContact C-CD1 3.45Å; N37-I41 HydrophobicContact CB-CD1 3.81Å; N37-I41 WeakPolarHBondContact O-CB 3.31Å; N37-I41 WeakPolarHBondContact O-CD1 3.49Å; N37-I41 WeakPolarHBondContact O-CG1 3.14Å; N37-I41 PolarHBondContact O-N 2.98Å
38	R	61.6	Low	60	Low	167 Å²	167	84.2 Å²	84.2	63%	0.63	43%	0.43	S	S	*	.	H	α-helix	trans	-56.7	-47.3	179.9	-78.5	-177.3	175.6	-178.5	-0.6	113	P34 E35 I41 N42	P34-R38 PolarHBondContact O-N 3.01Å; E35-R38 PolarHBondContact O-N 3.39Å; E35-R38 VanDerWaalsContact O-N 3.09Å; R38-I41 PolarHBondContact O-N 3.49Å; R38-N42 WeakPolarHBondContact O-CB 3.27Å; R38-N42 VanDerWaalsContact O-CG 3.23Å; R38-N42 PolarHBondContact O-N 3.42Å; R38-N42 PolarHBondContact O-ND2 2.97Å
39	D	63.1	Low	60.3	Low	110 Å²	110	84.9 Å²	84.9	59%	0.588	42%	0.423	S	S	*	.	H	α-helix	trans	-66.1	-46.2	179	-71	-35.1	0	0	0	111.8	N37 I41 N42 T43	N37-D39 PolarHBondContact O-N 3.45Å; D39-I41 PolarHBondContact O-N 2.76Å; D39-N42 PolarHBondContact O-N 3.02Å; D39-T43 WeakPolarHBondContact O-CB 3.25Å; D39-T43 PolarHBondContact O-N 3.28Å; D39-T43 PolarHBondContact O-OG1 2.87Å; D39-T43 VanDerWaalsContact O-OG1 3.05Å
40	S	64.1	Low	60.9	Low	66 Å²	66	79.6 Å²	79.6	46%	0.462	41%	0.41	S	S	.	.	H	α-helix	trans	-56.9	-39.5	176.3	-61.1	0	0	0	0	111.7	V36 N37 Y44	V36-S40 VanDerWaalsContact O-CB 3.31Å; V36-S40 WeakPolarHBondContact O-CB 3.42Å; V36-S40 PolarHBondContact O-N 3.07Å; V36-S40 VanDerWaalsContact O-N 3.14Å; V36-S40 PolarHBondContact O-OG 3.28Å; N37-S40 PolarHBondContact O-N 3.26Å; S40-Y44 WeakPolarHBondContact O-CB 3.43Å; S40-Y44 PolarHBondContact O-N 2.92Å
41	I	65.8	Low	61.4	Low	9 Å²	9	86.3 Å²	86.3	5%	0.046	44%	0.439	C	S	.	.	H	α-helix	trans	-73.3	-43.7	177.2	-76.9	114	0	0	0	112	I26 M30 N37 R38 D39 T43 Y44 V45 F61 F65	I26-I41 HydrophobicContact CG2-CD1 3.87Å; I26-I41 HydrophobicContact CG2-CG1 3.82Å; M30-I41 HydrophobicContact CG-CD1 4.27Å; N37-I41 VanDerWaalsContact C-CD1 3.45Å; N37-I41 HydrophobicContact CB-CD1 3.81Å; N37-I41 WeakPolarHBondContact O-CB 3.31Å; N37-I41 WeakPolarHBondContact O-CD1 3.49Å; N37-I41 WeakPolarHBondContact O-CG1 3.14Å; N37-I41 PolarHBondContact O-N 2.98Å; R38-I41 PolarHBondContact O-N 3.49Å; D39-I41 PolarHBondContact O-N 2.76Å; I41-T43 PolarHBondContact O-N 3.41Å; I41-Y44 WeakPolarHBondContact O-CB 3.37Å; I41-Y44 PolarHBondContact O-N 3.13Å; I41-Y44 VanDerWaalsContact O-N 3.13Å; I41-V45 HydrophobicContact CG2-CG2 3.89Å; I41-V45 WeakPolarHBondContact O-CB 2.83Å; I41-V45 WeakPolarHBondContact O-CG2 3.49Å; I41-V45 PolarHBondContact O-N 2.9Å; I41-F61 HydrophobicContact CG2-CE1 4.32Å; I41-F65 HydrophobicContact CB-CE1 4.05Å; I41-F65 HydrophobicContact CB-CE2 4.28Å; I41-F65 HydrophobicContact CB-CZ 3.91Å; I41-F65 HydrophobicContact CD1-CD2 4.38Å; I41-F65 HydrophobicContact CD1-CE1 3.96Å; I41-F65 HydrophobicContact CD1-CE2 3.24Å; I41-F65 HydrophobicContact CD1-CZ 2.99Å; I41-F65 HydrophobicContact CG1-CD2 4.06Å; I41-F65 HydrophobicContact CG1-CE1 3.98Å; I41-F65 HydrophobicContact CG1-CE2 3.34Å; I41-F65 HydrophobicContact CG1-CZ 3.33Å; I41-F65 HydrophobicContact CG2-CD1 3.74Å; I41-F65 HydrophobicContact CG2-CD2 4.27Å; I41-F65 HydrophobicContact CG2-CE1 3.6Å; I41-F65 HydrophobicContact CG2-CE2 4.17Å; I41-F65 HydrophobicContact CG2-CG 4.09Å; I41-F65 HydrophobicContact CG2-CZ 3.88Å
42	N	65.4	Low	61.7	Low	100 Å²	100	85.9 Å²	85.9	54%	0.535	43%	0.429	S	S	.	.	H	α-helix	trans	-59.6	-47.2	176.3	-75.3	-30.2	0	0	0	111.1	R38 D39 Y44 V45 F46	R38-N42 WeakPolarHBondContact O-CB 3.27Å; R38-N42 VanDerWaalsContact O-CG 3.23Å; R38-N42 PolarHBondContact O-N 3.42Å; R38-N42 PolarHBondContact O-ND2 2.97Å; D39-N42 PolarHBondContact O-N 3.02Å; N42-Y44 VanDerWaalsContact C-N 3.28Å; N42-Y44 PolarHBondContact O-N 3.49Å; N42-V45 PolarHBondContact O-N 2.9Å; N42-F46 WeakPolarHBondContact O-CB 3.17Å; N42-F46 PolarHBondContact O-N 3.4Å
43	T	66.5	Low	61.7	Low	85 Å²	85	86.7 Å²	86.7	52%	0.521	43%	0.43	S	S	.	.	H	α-helix	trans	-58.8	-41.7	174	-59.7	0	0	0	0	111.2	D39 I41 F46 L47	D39-T43 WeakPolarHBondContact O-CB 3.25Å; D39-T43 PolarHBondContact O-N 3.28Å; D39-T43 PolarHBondContact O-OG1 2.87Å; D39-T43 VanDerWaalsContact O-OG1 3.05Å; I41-T43 PolarHBondContact O-N 3.41Å; T43-F46 PolarHBondContact O-N 3.01Å; T43-L47 HydrophobicContact CG2-CD1 4.2Å; T43-L47 WeakPolarHBondContact O-CB 3.49Å; T43-L47 PolarHBondContact O-N 3.4Å
44	Y	61.2	Low	61.7	Low	39 Å²	39	86.4 Å²	86.4	15%	0.153	43%	0.428	C	S	.	.	H	α-helix	trans	-69.3	-44.6	179.8	179.7	-94.9	0	0	0	113.1	H22 I26 S40 I41 N42 F46 L47 M48 F61	H22-Y44 VanDerWaalsContact CB-OH 3.31Å; H22-Y44 WeakPolarHBondContact CB-OH 3.32Å; H22-Y44 PolarHBondContact CD2-OH 3.34Å; H22-Y44 PolarHBondContact CE1-OH 3.09Å; H22-Y44 AromaticContact CG-CZ 3.99Å; H22-Y44 AromaticContact ND1-CE2 3.93Å; H22-Y44 AromaticContact ND1-CZ 3.75Å; H22-Y44 PolarHBondContact ND1-OH 3.22Å; I26-Y44 HydrophobicContact CD1-CD1 3.81Å; I26-Y44 HydrophobicContact CD1-CD2 4.49Å; I26-Y44 HydrophobicContact CD1-CE1 3.76Å; I26-Y44 HydrophobicContact CD1-CE2 4.44Å; I26-Y44 HydrophobicContact CD1-CG 4.18Å; S40-Y44 WeakPolarHBondContact O-CB 3.43Å; S40-Y44 PolarHBondContact O-N 2.92Å; I41-Y44 WeakPolarHBondContact O-CB 3.37Å; I41-Y44 PolarHBondContact O-N 3.13Å; I41-Y44 VanDerWaalsContact O-N 3.13Å; N42-Y44 VanDerWaalsContact C-N 3.28Å; N42-Y44 PolarHBondContact O-N 3.49Å; Y44-F46 VanDerWaalsContact C-N 3.27Å; Y44-F46 PolarHBondContact O-N 2.93Å; Y44-L47 CarbonylContact O-C 3.59Å; Y44-L47 WeakPolarHBondContact O-CB 3.07Å; Y44-L47 PolarHBondContact O-N 3.33Å; Y44-L47 VanDerWaalsContact O-N 3.13Å; Y44-M48 HydrophobicContact CD1-CG 4.13Å; Y44-M48 HydrophobicContact CD2-CE 4.49Å; Y44-M48 HydrophobicContact CE1-CE 4.28Å; Y44-M48 HydrophobicContact CE1-CG 3.6Å; Y44-M48 HydrophobicContact CE2-CE 3.49Å; Y44-M48 VanDerWaalsContact CE2-CE 3.49Å; Y44-M48 HydrophobicContact CE2-CG 4.26Å; Y44-M48 WeakPolarHBondContact O-CG 3.49Å; Y44-M48 PolarHBondContact O-N 2.99Å; Y44-M48 WeakPolarHBondContact OH-CE 3.41Å; Y44-F61 AromaticContact CD1-CE1 3.82Å; Y44-F61 HydrophobicContact CD1-CE1 3.82Å; Y44-F61 HydrophobicContact CD1-CE2 4.24Å; Y44-F61 AromaticContact CD1-CZ 3.66Å; Y44-F61 HydrophobicContact CD1-CZ 3.66Å; Y44-F61 HydrophobicContact CE1-CD2 4.23Å; Y44-F61 HydrophobicContact CE1-CE1 4.05Å; Y44-F61 AromaticContact CE1-CE2 3.68Å; Y44-F61 HydrophobicContact CE1-CE2 3.68Å; Y44-F61 AromaticContact CE1-CZ 3.59Å; Y44-F61 HydrophobicContact CE1-CZ 3.59Å
45	V	64.7	Low	61.8	Low	13 Å²	13	87.8 Å²	87.8	8%	0.079	42%	0.424	C	S	.	.	H	α-helix	trans	-57.9	-43	175.2	164.1	0	0	0	0	109.8	I41 N42 M48 Y49 F58 F61	I41-V45 HydrophobicContact CG2-CG2 3.89Å; I41-V45 WeakPolarHBondContact O-CB 2.83Å; I41-V45 WeakPolarHBondContact O-CG2 3.49Å; I41-V45 PolarHBondContact O-N 2.9Å; N42-V45 PolarHBondContact O-N 2.9Å; V45-M48 PolarHBondContact O-N 3.36Å; V45-Y49 PolarHBondContact O-N 3.41Å; V45-F58 HydrophobicContact CB-CE2 4.19Å; V45-F58 HydrophobicContact CG1-CD2 3.5Å; V45-F58 VanDerWaalsContact CG1-CD2 3.5Å; V45-F58 HydrophobicContact CG1-CE1 4.16Å; V45-F58 HydrophobicContact CG1-CE2 2.94Å; V45-F58 HydrophobicContact CG1-CG 4.36Å; V45-F58 HydrophobicContact CG1-CZ 3.29Å; V45-F58 WeakPolarHBondContact O-CD2 3.05Å; V45-F58 WeakPolarHBondContact O-CE2 3.43Å; V45-F61 HydrophobicContact CG2-CD1 3.56Å; V45-F61 HydrophobicContact CG2-CE1 3.57Å
46	F	65	Low	61.9	Low	134 Å²	134	85 Å²	85	59%	0.588	42%	0.418	S	S	*	.	H	α-helix	trans	-64.3	-44.9	171.4	-177.6	-98.5	0	0	0	113.3	N42 T43 Y44 M48 Y49 T50	N42-F46 WeakPolarHBondContact O-CB 3.17Å; N42-F46 PolarHBondContact O-N 3.4Å; T43-F46 PolarHBondContact O-N 3.01Å; Y44-F46 VanDerWaalsContact C-N 3.27Å; Y44-F46 PolarHBondContact O-N 2.93Å; F46-M48 VanDerWaalsContact C-N 3.31Å; F46-M48 PolarHBondContact O-N 2.89Å; F46-Y49 WeakPolarHBondContact O-CB 3.4Å; F46-Y49 PolarHBondContact O-N 3.43Å; F46-T50 HydrophobicContact CD1-CG2 4.28Å; F46-T50 HydrophobicContact CE1-CG2 3.87Å; F46-T50 HydrophobicContact CE2-CG2 4.27Å; F46-T50 HydrophobicContact CZ-CG2 3.87Å; F46-T50 WeakPolarHBondContact O-CG2 3.34Å; F46-T50 PolarHBondContact O-N 3.47Å; F46-T50 PolarHBondContact O-OG1 3.23Å
47	L	61.8	Low	62.3	Low	66 Å²	66	81 Å²	81	35%	0.346	39%	0.393	S	S	.	.	H	α-helix	trans	-60.4	-38.5	175.6	-105.8	152.8	0	0	0	112.6	T43 Y44 T50 K51	T43-L47 HydrophobicContact CG2-CD1 4.2Å; T43-L47 WeakPolarHBondContact O-CB 3.49Å; T43-L47 PolarHBondContact O-N 3.4Å; Y44-L47 CarbonylContact O-C 3.59Å; Y44-L47 WeakPolarHBondContact O-CB 3.07Å; Y44-L47 PolarHBondContact O-N 3.33Å; Y44-L47 VanDerWaalsContact O-N 3.13Å; L47-T50 WeakPolarHBondContact CA-OG1 3.33Å; L47-T50 PolarHBondContact O-OG1 3.05Å; L47-K51 HydrophobicContact CD2-CD 4.07Å; L47-K51 HydrophobicContact CD2-CG 4.35Å; L47-K51 VanDerWaalsContact O-CB 3.3Å; L47-K51 WeakPolarHBondContact O-CB 3.46Å; L47-K51 WeakPolarHBondContact O-CG 3.28Å; L47-K51 PolarHBondContact O-N 3Å
48	M	60.7	Low	62.4	Low	19 Å²	19	83.3 Å²	83.3	9%	0.094	40%	0.402	C	S	.	.	H	α-helix	trans	-69.7	-41.6	176.8	-76	-64.2	149.7	0	0	111.8	F18 Y44 V45 F46 T50 R52 F57	F18-M48 HydrophobicContact CE1-CE 3.67Å; F18-M48 HydrophobicContact CE1-SD 3.61Å; F18-M48 HydrophobicContact CZ-CE 3.55Å; F18-M48 HydrophobicContact CZ-SD 4.01Å; Y44-M48 HydrophobicContact CD1-CG 4.13Å; Y44-M48 HydrophobicContact CD2-CE 4.49Å; Y44-M48 HydrophobicContact CE1-CE 4.28Å; Y44-M48 HydrophobicContact CE1-CG 3.6Å; Y44-M48 HydrophobicContact CE2-CE 3.49Å; Y44-M48 VanDerWaalsContact CE2-CE 3.49Å; Y44-M48 HydrophobicContact CE2-CG 4.26Å; Y44-M48 WeakPolarHBondContact O-CG 3.49Å; Y44-M48 PolarHBondContact O-N 2.99Å; Y44-M48 WeakPolarHBondContact OH-CE 3.41Å; V45-M48 PolarHBondContact O-N 3.36Å; F46-M48 VanDerWaalsContact C-N 3.31Å; F46-M48 PolarHBondContact O-N 2.89Å; M48-T50 VanDerWaalsContact C-N 3.35Å; M48-R52 PolarHBondContact O-N 3.39Å; M48-F57 HydrophobicContact CB-CD1 4.35Å; M48-F57 HydrophobicContact CB-CE1 4.41Å; M48-F57 HydrophobicContact CG-CE1 4.11Å; M48-F57 HydrophobicContact SD-CE1 3.98Å
49	Y	61.7	Low	62.4	Low	99 Å²	99	83 Å²	83	39%	0.388	40%	0.402	S	S	.	.	H	α-helix	trans	-58.9	-46.7	173.2	-175.7	-106.9	0	0	0	111.6	V45 F46 K53 K55 F58	V45-Y49 PolarHBondContact O-N 3.41Å; F46-Y49 WeakPolarHBondContact O-CB 3.4Å; F46-Y49 PolarHBondContact O-N 3.43Å; Y49-K53 WeakPolarHBondContact O-CA 3.34Å; Y49-K53 PolarHBondContact O-N 2.86Å; Y49-K55 HydrophobicContact CE2-CG 3.89Å; Y49-F58 HydrophobicContact CD2-CD2 4.28Å; Y49-F58 HydrophobicContact CG-CD2 4.38Å
50	T	65.8	Low	62.5	Low	63 Å²	63	81.7 Å²	81.7	39%	0.387	39%	0.394	S	S	.	.	H	α-helix	trans	-70.8	-45.7	-178.5	51.8	0	0	0	0	112.8	F46 L47 M48	F46-T50 HydrophobicContact CD1-CG2 4.28Å; F46-T50 HydrophobicContact CE1-CG2 3.87Å; F46-T50 HydrophobicContact CE2-CG2 4.27Å; F46-T50 HydrophobicContact CZ-CG2 3.87Å; F46-T50 WeakPolarHBondContact O-CG2 3.34Å; F46-T50 PolarHBondContact O-N 3.47Å; F46-T50 PolarHBondContact O-OG1 3.23Å; L47-T50 WeakPolarHBondContact CA-OG1 3.33Å; L47-T50 PolarHBondContact O-OG1 3.05Å; M48-T50 VanDerWaalsContact C-N 3.35Å
51	K	62.1	Low	62.6	Low	163 Å²	163	79 Å²	79	71%	0.709	37%	0.374	S	S	*	.	H	α-helix	trans	-73.1	-37.3	-177.7	-75.3	-172.1	173.9	-178.3	0	114.2	L47	L47-K51 HydrophobicContact CD2-CD 4.07Å; L47-K51 HydrophobicContact CD2-CG 4.35Å; L47-K51 VanDerWaalsContact O-CB 3.3Å; L47-K51 WeakPolarHBondContact O-CB 3.46Å; L47-K51 WeakPolarHBondContact O-CG 3.28Å; L47-K51 PolarHBondContact O-N 3Å
52	R	62.5	Low	62.4	Low	92 Å²	92	79.8 Å²	79.8	35%	0.347	38%	0.381	S	S	.	.	H	α-helix	trans	-104.6	-12.9	-176.7	-73	-168.9	174.4	-169	0.2	114.4	M48 S54	M48-R52 PolarHBondContact O-N 3.39Å; R52-S54 PolarHBondContact O-N 3.42Å
53	K	57.1	Low	62.5	Low	182 Å²	182	82.2 Å²	82.2	79%	0.791	39%	0.387	S	S	*	.			trans	46.5	20.5	-173.6	-64.8	-174.7	178	-179.9	0	114	Y49	Y49-K53 WeakPolarHBondContact O-CA 3.34Å; Y49-K53 PolarHBondContact O-N 2.86Å
54	S	59.8	Low	62.2	Low	47 Å²	47	83.1 Å²	83.1	33%	0.329	38%	0.38	S	S	.	.			trans	-101.3	97.3	-175.6	-177.3	0	0	0	0	108.7	R52 V56 F57 F58	R52-S54 PolarHBondContact O-N 3.42Å; S54-V56 PolarHBondContact O-N 3.04Å; S54-F57 PolarHBondContact O-N 3.14Å; S54-F58 PolarHBondContact O-N 3.04Å
55	K	59.3	Low	62.4	Low	128 Å²	128	81.8 Å²	81.8	56%	0.557	38%	0.376	S	S	*	.	H	α-helix	trans	-52.8	-37.3	174.1	-76.1	-179	178.3	-176.2	0	111.5	Y49 F57 F58 Y59	Y49-K55 HydrophobicContact CE2-CG 3.89Å; K55-F57 PolarHBondContact O-N 2.81Å; K55-F58 WeakPolarHBondContact O-CB 3.42Å; K55-F58 PolarHBondContact O-N 3.25Å; K55-Y59 HydrophobicContact CB-CD2 4.42Å; K55-Y59 HydrophobicContact CB-CE2 4.29Å; K55-Y59 WeakPolarHBondContact O-CD2 3.16Å; K55-Y59 PolarHBondContact O-N 3.27Å
56	V	60.3	Low	62.3	Low	98 Å²	98	86 Å²	86	59%	0.594	40%	0.397	S	S	*	.	H	α-helix	trans	-63.3	-44.8	-179.1	-179.1	0	0	0	0	111.3	S54 F58 Y59 I60	S54-V56 PolarHBondContact O-N 3.04Å; V56-F58 VanDerWaalsContact C-N 3.31Å; V56-F58 PolarHBondContact O-N 2.82Å; V56-Y59 PolarHBondContact O-N 2.7Å; V56-I60 HydrophobicContact CG1-CD1 3.75Å; V56-I60 HydrophobicContact CG1-CG1 4.46Å; V56-I60 VanDerWaalsContact O-CG1 3.31Å; V56-I60 WeakPolarHBondContact O-CG1 2.81Å; V56-I60 PolarHBondContact O-N 3.47Å
57	F	59.4	Low	62.2	Low	8 Å²	8	85.2 Å²	85.2	4%	0.035	39%	0.394	C	S	.	.	H	α-helix	trans	-62.6	-42.5	177.6	-170.7	-86.2	0	0	0	111.3	F18 T19 M48 S54 K55 I60 F61	F18-F57 HydrophobicContact CD1-CE1 4.41Å; F18-F57 AromaticContact CD1-CE2 3.79Å; F18-F57 HydrophobicContact CD1-CE2 3.79Å; F18-F57 AromaticContact CD1-CZ 3.49Å; F18-F57 HydrophobicContact CD1-CZ 3.49Å; F18-F57 VanDerWaalsContact CD1-CZ 3.49Å; F18-F57 HydrophobicContact CE1-CE1 4.31Å; F18-F57 HydrophobicContact CE1-CE2 4.43Å; F18-F57 AromaticContact CE1-CZ 3.81Å; F18-F57 HydrophobicContact CE1-CZ 3.81Å; T19-F57 WeakPolarHBondContact OG1-CE2 3.3Å; M48-F57 HydrophobicContact CB-CD1 4.35Å; M48-F57 HydrophobicContact CB-CE1 4.41Å; M48-F57 HydrophobicContact CG-CE1 4.11Å; M48-F57 HydrophobicContact SD-CE1 3.98Å; S54-F57 PolarHBondContact O-N 3.14Å; K55-F57 PolarHBondContact O-N 2.81Å; F57-I60 PolarHBondContact O-N 3.13Å; F57-F61 HydrophobicContact CE1-CB 4.5Å; F57-F61 VanDerWaalsContact O-CB 3.25Å; F57-F61 WeakPolarHBondContact O-CB 3.48Å; F57-F61 PolarHBondContact O-N 3.14Å
58	F	62.1	Low	62.3	Low	61 Å²	61	82.6 Å²	82.6	27%	0.268	38%	0.383	S	S	.	.	H	α-helix	trans	-57.7	-50.7	176.2	-179.2	-84.6	0	0	0	112	V45 Y49 S54 K55 V56 F61 S62	V45-F58 HydrophobicContact CB-CE2 4.19Å; V45-F58 HydrophobicContact CG1-CD2 3.5Å; V45-F58 VanDerWaalsContact CG1-CD2 3.5Å; V45-F58 HydrophobicContact CG1-CE1 4.16Å; V45-F58 HydrophobicContact CG1-CE2 2.94Å; V45-F58 HydrophobicContact CG1-CG 4.36Å; V45-F58 HydrophobicContact CG1-CZ 3.29Å; V45-F58 WeakPolarHBondContact O-CD2 3.05Å; V45-F58 WeakPolarHBondContact O-CE2 3.43Å; Y49-F58 HydrophobicContact CD2-CD2 4.28Å; Y49-F58 HydrophobicContact CG-CD2 4.38Å; S54-F58 PolarHBondContact O-N 3.04Å; K55-F58 WeakPolarHBondContact O-CB 3.42Å; K55-F58 PolarHBondContact O-N 3.25Å; V56-F58 VanDerWaalsContact C-N 3.31Å; V56-F58 PolarHBondContact O-N 2.82Å; F58-F61 PolarHBondContact O-N 3.05Å; F58-S62 WeakPolarHBondContact O-CB 3.17Å; F58-S62 PolarHBondContact O-N 3.34Å; F58-S62 PolarHBondContact O-OG 3.33Å; F58-S62 VanDerWaalsContact O-OG 3.07Å
59	Y	62.7	Low	62.3	Low	162 Å²	162	84.5 Å²	84.5	64%	0.635	39%	0.393	S	S	*	.	H	α-helix	trans	-63.6	-45.4	-179.7	-78.2	-66.7	0	0	0	112.8	K55 V56 F61 S62 F63	K55-Y59 HydrophobicContact CB-CD2 4.42Å; K55-Y59 HydrophobicContact CB-CE2 4.29Å; K55-Y59 WeakPolarHBondContact O-CD2 3.16Å; K55-Y59 PolarHBondContact O-N 3.27Å; V56-Y59 PolarHBondContact O-N 2.7Å; Y59-F61 VanDerWaalsContact C-N 3.3Å; Y59-F61 PolarHBondContact O-N 3.18Å; Y59-S62 PolarHBondContact O-N 2.81Å; Y59-F63 VanDerWaalsContact O-CB 3.28Å; Y59-F63 WeakPolarHBondContact O-CB 3.33Å; Y59-F63 PolarHBondContact O-N 2.85Å
60	I	64.5	Low	62.4	Low	82 Å²	82	86.5 Å²	86.5	42%	0.421	41%	0.406	S	S	.	.	H	α-helix	trans	-62	-42.6	179.3	-67	169.2	0	0	0	110.5	V56 F57 R64	V56-I60 HydrophobicContact CG1-CD1 3.75Å; V56-I60 HydrophobicContact CG1-CG1 4.46Å; V56-I60 VanDerWaalsContact O-CG1 3.31Å; V56-I60 WeakPolarHBondContact O-CG1 2.81Å; V56-I60 PolarHBondContact O-N 3.47Å; F57-I60 PolarHBondContact O-N 3.13Å; I60-R64 WeakPolarHBondContact O-CB 3.16Å; I60-R64 PolarHBondContact O-N 2.79Å; I60-R64 VanDerWaalsContact O-N 3.08Å
61	F	66.3	Low	61.8	Low	8 Å²	8	87.8 Å²	87.8	4%	0.035	41%	0.41	C	S	.	.	H	α-helix	trans	-63.9	-52	178.1	-176.2	-87	0	0	0	111.1	I26 I41 Y44 V45 F57 F58 Y59 F63 R64 F65	I26-F61 HydrophobicContact CD1-CE2 3.86Å; I26-F61 HydrophobicContact CD1-CZ 3.45Å; I26-F61 VanDerWaalsContact CD1-CZ 3.45Å; I41-F61 HydrophobicContact CG2-CE1 4.32Å; Y44-F61 AromaticContact CD1-CE1 3.82Å; Y44-F61 HydrophobicContact CD1-CE1 3.82Å; Y44-F61 HydrophobicContact CD1-CE2 4.24Å; Y44-F61 AromaticContact CD1-CZ 3.66Å; Y44-F61 HydrophobicContact CD1-CZ 3.66Å; Y44-F61 HydrophobicContact CE1-CD2 4.23Å; Y44-F61 HydrophobicContact CE1-CE1 4.05Å; Y44-F61 AromaticContact CE1-CE2 3.68Å; Y44-F61 HydrophobicContact CE1-CE2 3.68Å; Y44-F61 AromaticContact CE1-CZ 3.59Å; Y44-F61 HydrophobicContact CE1-CZ 3.59Å; V45-F61 HydrophobicContact CG2-CD1 3.56Å; V45-F61 HydrophobicContact CG2-CE1 3.57Å; F57-F61 HydrophobicContact CE1-CB 4.5Å; F57-F61 VanDerWaalsContact O-CB 3.25Å; F57-F61 WeakPolarHBondContact O-CB 3.48Å; F57-F61 PolarHBondContact O-N 3.14Å; F58-F61 PolarHBondContact O-N 3.05Å; Y59-F61 VanDerWaalsContact C-N 3.3Å; Y59-F61 PolarHBondContact O-N 3.18Å; F61-F63 VanDerWaalsContact C-N 3.34Å; F61-F63 PolarHBondContact O-N 3.16Å; F61-R64 PolarHBondContact O-N 3.49Å; F61-F65 HydrophobicContact CE1-CB 4.47Å; F61-F65 WeakPolarHBondContact O-CB 3.18Å; F61-F65 PolarHBondContact O-N 2.9Å
62	S	61.5	Low	61.4	Low	26 Å²	26	86.6 Å²	86.6	18%	0.182	41%	0.405	C	S	.	.	H	α-helix	trans	-62	-38.4	-180	-62.1	0	0	0	0	113	F58 Y59 N66	F58-S62 WeakPolarHBondContact O-CB 3.17Å; F58-S62 PolarHBondContact O-N 3.34Å; F58-S62 PolarHBondContact O-OG 3.33Å; F58-S62 VanDerWaalsContact O-OG 3.07Å; Y59-S62 PolarHBondContact O-N 2.81Å; S62-N66 PolarHBondContact O-N 2.86Å; S62-N66 PolarHBondContact O-ND2 3.23Å
63	F	67.7	Low	60.8	Low	152 Å²	152	91.5 Å²	91.5	67%	0.667	43%	0.429	S	S	*	.	H	α-helix	trans	-65.6	-51.5	177.1	-179.2	-97.5	0	0	0	111.7	Y59 F61 F65 N66 F67	Y59-F63 VanDerWaalsContact O-CB 3.28Å; Y59-F63 WeakPolarHBondContact O-CB 3.33Å; Y59-F63 PolarHBondContact O-N 2.85Å; F61-F63 VanDerWaalsContact C-N 3.34Å; F61-F63 PolarHBondContact O-N 3.16Å; F63-F65 PolarHBondContact O-N 2.98Å; F63-N66 PolarHBondContact O-N 3.17Å; F63-F67 WeakPolarHBondContact O-CB 3.14Å; F63-F67 PolarHBondContact O-N 3.03Å
64	R	60	Low	60.4	Low	103 Å²	103	91.3 Å²	91.3	39%	0.389	44%	0.443	S	S	.	.	H	α-helix	trans	-62.5	-34.8	178.3	-79.4	-177.5	161.6	-154.9	-4.5	112.3	F23 I60 F61 G68	F23-R64 HydrophobicContact CE2-CB 4.34Å; I60-R64 WeakPolarHBondContact O-CB 3.16Å; I60-R64 PolarHBondContact O-N 2.79Å; I60-R64 VanDerWaalsContact O-N 3.08Å; F61-R64 PolarHBondContact O-N 3.49Å; R64-G68 PolarHBondContact O-N 3.38Å
65	F	66.6	Low	60.4	Low	12 Å²	12	93.5 Å²	93.5	5%	0.053	45%	0.449	C	S	.	.	H	α-helix	trans	-66.4	-49.8	177.9	-175	-96.2	0	0	0	112.2	I26 M30 I41 F61 F63 F67 G68 I69	I26-F65 HydrophobicContact CG2-CD2 4.43Å; I26-F65 HydrophobicContact CG2-CE2 3.94Å; M30-F65 HydrophobicContact CE-CD2 4.03Å; M30-F65 HydrophobicContact CE-CE2 3.54Å; M30-F65 HydrophobicContact CE-CZ 4.21Å; M30-F65 HydrophobicContact CG-CE2 3.87Å; M30-F65 HydrophobicContact CG-CZ 4.14Å; M30-F65 HydrophobicContact SD-CD2 4.05Å; M30-F65 HydrophobicContact SD-CE1 4.29Å; M30-F65 HydrophobicContact SD-CE2 3.05Å; M30-F65 WeakPolarHBondContact SD-CE2 3.31Å; M30-F65 HydrophobicContact SD-CZ 3.17Å; M30-F65 WeakPolarHBondContact SD-CZ 3.4Å; I41-F65 HydrophobicContact CB-CE1 4.05Å; I41-F65 HydrophobicContact CB-CE2 4.28Å; I41-F65 HydrophobicContact CB-CZ 3.91Å; I41-F65 HydrophobicContact CD1-CD2 4.38Å; I41-F65 HydrophobicContact CD1-CE1 3.96Å; I41-F65 HydrophobicContact CD1-CE2 3.24Å; I41-F65 HydrophobicContact CD1-CZ 2.99Å; I41-F65 HydrophobicContact CG1-CD2 4.06Å; I41-F65 HydrophobicContact CG1-CE1 3.98Å; I41-F65 HydrophobicContact CG1-CE2 3.34Å; I41-F65 HydrophobicContact CG1-CZ 3.33Å; I41-F65 HydrophobicContact CG2-CD1 3.74Å; I41-F65 HydrophobicContact CG2-CD2 4.27Å; I41-F65 HydrophobicContact CG2-CE1 3.6Å; I41-F65 HydrophobicContact CG2-CE2 4.17Å; I41-F65 HydrophobicContact CG2-CG 4.09Å; I41-F65 HydrophobicContact CG2-CZ 3.88Å; F61-F65 HydrophobicContact CE1-CB 4.47Å; F61-F65 WeakPolarHBondContact O-CB 3.18Å; F61-F65 PolarHBondContact O-N 2.9Å; F63-F65 PolarHBondContact O-N 2.98Å; F65-F67 VanDerWaalsContact C-N 3.31Å; F65-F67 PolarHBondContact O-N 3.37Å; F65-G68 WeakPolarHBondContact O-CA 3Å; F65-G68 PolarHBondContact O-N 3.14Å; F65-G68 VanDerWaalsContact O-N 3.14Å; F65-I69 HydrophobicContact CD1-CD1 3.98Å; F65-I69 HydrophobicContact CD1-CG1 4.5Å; F65-I69 HydrophobicContact CE1-CD1 3.14Å; F65-I69 HydrophobicContact CE1-CG1 3.93Å; F65-I69 HydrophobicContact CZ-CD1 3.44Å; F65-I69 VanDerWaalsContact CZ-CD1 3.44Å; F65-I69 HydrophobicContact CZ-CG1 3.96Å; F65-I69 PolarHBondContact O-N 3.42Å
66	N	62.6	Low	60.5	Low	100 Å²	100	91.7 Å²	91.7	54%	0.535	44%	0.443	S	S	.	.	H	α-helix	trans	-61.1	-40.4	175.3	-80.4	-66.1	0	0	0	111.8	S62 F63 G68 I69 Q70	S62-N66 PolarHBondContact O-N 2.86Å; S62-N66 PolarHBondContact O-ND2 3.23Å; F63-N66 PolarHBondContact O-N 3.17Å; N66-G68 VanDerWaalsContact C-N 3.32Å; N66-G68 PolarHBondContact O-N 3.47Å; N66-I69 PolarHBondContact O-N 3.1Å; N66-Q70 WeakPolarHBondContact O-CB 3.19Å; N66-Q70 PolarHBondContact O-N 3.31Å
67	F	63	Low	60.5	Low	119 Å²	119	91.3 Å²	91.3	52%	0.522	44%	0.435	S	S	.	.	H	α-helix	trans	-62.9	-39.4	174.7	-169.1	-102.2	0	0	0	112.2	F63 F65 Q70 N71	F63-F67 WeakPolarHBondContact O-CB 3.14Å; F63-F67 PolarHBondContact O-N 3.03Å; F65-F67 VanDerWaalsContact C-N 3.31Å; F65-F67 PolarHBondContact O-N 3.37Å; F67-Q70 PolarHBondContact O-N 3.12Å; F67-N71 WeakPolarHBondContact CD1-ND2 3.23Å; F67-N71 WeakPolarHBondContact CE1-ND2 3.48Å; F67-N71 WeakPolarHBondContact CZ-ND2 3.33Å; F67-N71 PolarHBondContact O-N 3.2Å; F67-N71 PolarHBondContact O-ND2 3.35Å
68	G	61.9	Low	60.6	Low	10 Å²	10	96.2 Å²	96.2	10%	0.103	46%	0.459	C	S	.	.	H	α-helix	trans	-57.8	-50.9	172.9	0	0	0	0	0	113.7	R64 F65 N66 Q70 F72	R64-G68 PolarHBondContact O-N 3.38Å; F65-G68 WeakPolarHBondContact O-CA 3Å; F65-G68 PolarHBondContact O-N 3.14Å; F65-G68 VanDerWaalsContact O-N 3.14Å; N66-G68 VanDerWaalsContact C-N 3.32Å; N66-G68 PolarHBondContact O-N 3.47Å; G68-Q70 VanDerWaalsContact C-N 3.34Å; G68-F72 PolarHBondContact O-N 3.21Å
69	I	61.8	Low	60.5	Low	59 Å²	59	98.4 Å²	98.4	30%	0.303	47%	0.471	S	S	.	.	H	α-helix	trans	-62.2	-42.7	176	-69	-175.4	0	0	0	111	M30 F65 N66 N71 F72 K73	M30-I69 HydrophobicContact CE-CG1 4.39Å; M30-I69 HydrophobicContact SD-CD1 4.07Å; M30-I69 HydrophobicContact SD-CG1 3.57Å; M30-I69 VanDerWaalsContact SD-CG1 3.57Å; F65-I69 HydrophobicContact CD1-CD1 3.98Å; F65-I69 HydrophobicContact CD1-CG1 4.5Å; F65-I69 HydrophobicContact CE1-CD1 3.14Å; F65-I69 HydrophobicContact CE1-CG1 3.93Å; F65-I69 HydrophobicContact CZ-CD1 3.44Å; F65-I69 VanDerWaalsContact CZ-CD1 3.44Å; F65-I69 HydrophobicContact CZ-CG1 3.96Å; F65-I69 PolarHBondContact O-N 3.42Å; N66-I69 PolarHBondContact O-N 3.1Å; I69-N71 PolarHBondContact O-N 3.14Å; I69-F72 PolarHBondContact O-N 3.09Å; I69-F72 VanDerWaalsContact O-N 3.16Å; I69-K73 PolarHBondContact O-N 3.47Å
70	Q	62.7	Low	60.3	Low	142 Å²	142	94.2 Å²	94.2	66%	0.664	46%	0.46	S	S	*	.	H	α-helix	trans	-65.6	-39.1	-176.4	-166.2	163.5	41.6	0	0	112.1	N66 F67 G68 F72 K73	N66-Q70 WeakPolarHBondContact O-CB 3.19Å; N66-Q70 PolarHBondContact O-N 3.31Å; F67-Q70 PolarHBondContact O-N 3.12Å; G68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-F72 VanDerWaalsContact C-N 3.31Å; Q70-K73 PolarHBondContact O-N 3.36Å
71	N	54.7	Low	60	Low	90 Å²	90	95.1 Å²	95.1	48%	0.481	46%	0.462	S	S	.	.	H	α-helix	trans	-75.3	-16.1	174	-73.5	-71.5	0	0	0	113.8	F67 I69	F67-N71 WeakPolarHBondContact CD1-ND2 3.23Å; F67-N71 WeakPolarHBondContact CE1-ND2 3.48Å; F67-N71 WeakPolarHBondContact CZ-ND2 3.33Å; F67-N71 PolarHBondContact O-N 3.2Å; F67-N71 PolarHBondContact O-ND2 3.35Å; I69-N71 PolarHBondContact O-N 3.14Å
72	F	53.7	Low	59.5	Low	137 Å²	137	101.8 Å²	101.8	60%	0.601	50%	0.495	S	S	*	.	H	α-helix	trans	-81.5	-18.6	175.4	-172.6	-101.2	0	0	0	112.7	G68 I69 Q70	G68-F72 PolarHBondContact O-N 3.21Å; I69-F72 PolarHBondContact O-N 3.09Å; I69-F72 VanDerWaalsContact O-N 3.16Å; Q70-F72 VanDerWaalsContact C-N 3.31Å
73	K	48.9	Very low	59.4	Low	195 Å²	195	108.1 Å²	108.1	85%	0.848	52%	0.521	S	S	*	.			trans	-86.8	-4.5	-179.2	-146.3	-176.2	-178.9	-171	0	113.6	I69 Q70	I69-K73 PolarHBondContact O-N 3.47Å; Q70-K73 PolarHBondContact O-N 3.36Å
74	T	48.9	Very low	58.6	Low	178 Å²	178	104.1 Å²	104.1	100%	1.092	51%	0.508	S	S	*	.			trans	-107.8	0	173.4	-56	0	0	0	0	108.6

Retrieved 74 of 74 residues in 22.9 ms (Link to these results)

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