A0A5K4F9D8_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F9D8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 104 aa.

						>A0A5K4F9D8_SCHMA|A0A5K4F9D8
MSILIGIPIGISILDLYVYLKVAAIAITLIYFTCSIFIGGAIQTQLADHFVLILIYFVIISIAFVAAATVFYVLEHRAALITLEVAAELILFLTYHLQTIRAVC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	40.2	Very low	240 Å²	240	126.6 Å²	126.6	100%	1.182	74%	0.739	S	S	*	*				0	80.2	0	-81.3	171.3	140.1	0	0	107.9
2	S	32.5	Very low	40.8	Very low	120 Å²	120	120.8 Å²	120.8	84%	0.839	71%	0.71	S	S	*	*			trans	-93.7	105.4	175.7	-50.3	0	0	0	0	105.7	L4	S2-L4 PolarHBondContact O-N 3.47Å
3	I	39.3	Very low	41.9	Very low	150 Å²	150	123 Å²	123	77%	0.769	72%	0.715	S	S	*	*			trans	-63.4	99.4	170.6	-58.5	165.1	0	0	0	103.7	I5	I3-I5 HydrophobicContact CG2-CG1 4.27Å; I3-I5 PolarHBondContact O-N 3.35Å
4	L	34	Very low	42.5	Very low	168 Å²	168	120.1 Å²	120.1	88%	0.88	70%	0.695	S	S	*	*			trans	-63.9	89.6	169.7	-160.8	85.3	0	0	0	103.9	S2 G6	S2-L4 PolarHBondContact O-N 3.47Å; L4-G6 PolarHBondContact O-N 3.03Å
5	I	47.6	Very low	43.4	Very low	117 Å²	117	115.9 Å²	115.9	60%	0.6	67%	0.668	S	S	*	*			trans	-60.4	97.9	174.2	-68	165.5	0	0	0	104.1	I3 I7	I3-I5 HydrophobicContact CG2-CG1 4.27Å; I3-I5 PolarHBondContact O-N 3.35Å; I5-I7 HydrophobicContact CB-CD1 4.31Å; I5-I7 HydrophobicContact CG2-CB 3.99Å; I5-I7 HydrophobicContact CG2-CD1 3.26Å; I5-I7 HydrophobicContact CG2-CG1 3.24Å; I5-I7 PolarHBondContact O-N 3.46Å
6	G	36.8	Very low	44.2	Very low	72 Å²	72	116.6 Å²	116.6	74%	0.742	67%	0.668	S	S	*	*			trans	-67	55.6	161.8	0	0	0	0	0	109.2	L4 P8	L4-G6 PolarHBondContact O-N 3.03Å; G6-P8 WeakPolarHBondContact O-CD 3.29Å
7	I	41.6	Very low	45.1	Very low	114 Å²	114	117.2 Å²	117.2	59%	0.585	66%	0.658	S	S	*	*			trans	-54.7	121.6	157.1	-81.5	147.1	0	0	0	103	I5 I9	I5-I7 HydrophobicContact CB-CD1 4.31Å; I5-I7 HydrophobicContact CG2-CB 3.99Å; I5-I7 HydrophobicContact CG2-CD1 3.26Å; I5-I7 HydrophobicContact CG2-CG1 3.24Å; I5-I7 PolarHBondContact O-N 3.46Å; I7-I9 WeakPolarHBondContact O-CG1 3.4Å; I7-I9 PolarHBondContact O-N 2.85Å
8	P	42.4	Very low	45.8	Very low	81 Å²	81	114.6 Å²	114.6	53%	0.526	65%	0.645	S	S	.	*			trans	-66	88.2	179.3	28.8	-34.1	0	0	0	107.8	G6 G10 I11	G6-P8 WeakPolarHBondContact O-CD 3.29Å; P8-G10 PolarHBondContact O-N 3.48Å; P8-I11 HydrophobicContact CB-CD1 4.45Å; P8-I11 HydrophobicContact CB-CG1 4.13Å; P8-I11 HydrophobicContact CG-CD1 3.71Å; P8-I11 HydrophobicContact CG-CG1 3.93Å; P8-I11 WeakPolarHBondContact O-CG1 3.48Å; P8-I11 PolarHBondContact O-N 3.22Å; P8-I11 VanDerWaalsContact O-N 3.08Å
9	I	47.8	Very low	46.6	Very low	155 Å²	155	114.7 Å²	114.7	80%	0.795	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-4.7	172	-28.1	-178.8	0	0	0	110.4	I7	I7-I9 WeakPolarHBondContact O-CG1 3.4Å; I7-I9 PolarHBondContact O-N 2.85Å
10	G	40.9	Very low	47.4	Very low	59 Å²	59	115.1 Å²	115.1	61%	0.608	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-3.3	172.2	0	0	0	0	0	115.1	P8 S12	P8-G10 PolarHBondContact O-N 3.48Å; G10-S12 WeakPolarHBondContact O-CA 3.18Å; G10-S12 PolarHBondContact O-N 3.24Å; G10-S12 PolarHBondContact O-OG 2.81Å
11	I	47.9	Very low	48	Very low	117 Å²	117	114.8 Å²	114.8	60%	0.6	63%	0.628	S	S	*	*	S	Bend	trans	-67.3	96.9	156.5	-46.3	169.7	0	0	0	103.7	P8 D15	P8-I11 HydrophobicContact CB-CD1 4.45Å; P8-I11 HydrophobicContact CB-CG1 4.13Å; P8-I11 HydrophobicContact CG-CD1 3.71Å; P8-I11 HydrophobicContact CG-CG1 3.93Å; P8-I11 WeakPolarHBondContact O-CG1 3.48Å; P8-I11 PolarHBondContact O-N 3.22Å; P8-I11 VanDerWaalsContact O-N 3.08Å; I11-D15 HydrophobicContact CG2-CB 4.12Å; I11-D15 WeakPolarHBondContact CG2-OD2 3.38Å
12	S	47.9	Very low	49.5	Very low	57 Å²	57	104.9 Å²	104.9	40%	0.399	58%	0.581	S	S	.	*			trans	-67.8	150.6	-143.5	-79.1	0	0	0	0	109	G10 L14 D15 L16	G10-S12 WeakPolarHBondContact O-CA 3.18Å; G10-S12 PolarHBondContact O-N 3.24Å; G10-S12 PolarHBondContact O-OG 2.81Å; S12-L14 CarbonylContact O-C 3.49Å; S12-L14 PolarHBondContact O-N 3.39Å; S12-D15 PolarHBondContact N-OD2 3.36Å; S12-D15 WeakPolarHBondContact O-CA 3.5Å; S12-D15 WeakPolarHBondContact O-CB 3.48Å; S12-D15 PolarHBondContact O-N 3.03Å; S12-L16 PolarHBondContact O-N 3.2Å
13	I	54.3	Low	51.1	Low	149 Å²	149	101.4 Å²	101.4	76%	0.764	56%	0.559	S	S	*	*	H	α-helix	trans	-45.3	-27.2	166.9	-63.5	154.2	0	0	0	111	Y17	I13-Y17 VanDerWaalsContact O-CB 3.25Å; I13-Y17 WeakPolarHBondContact O-CB 3.25Å; I13-Y17 PolarHBondContact O-N 3.39Å
14	L	51.2	Low	52.5	Low	83 Å²	83	96.8 Å²	96.8	44%	0.435	54%	0.543	S	S	.	.	H	α-helix	trans	-59.7	-49.3	169.2	-162.5	68.1	0	0	0	114.6	S12 L16 Y17 V18 E75	S12-L14 CarbonylContact O-C 3.49Å; S12-L14 PolarHBondContact O-N 3.39Å; L14-L16 PolarHBondContact O-N 3.02Å; L14-Y17 PolarHBondContact O-N 2.9Å; L14-V18 VanDerWaalsContact O-CG2 3.28Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 2.93Å; L14-E75 WeakPolarHBondContact CD2-OE1 3.16Å
15	D	55.1	Low	54	Low	56 Å²	56	91.3 Å²	91.3	30%	0.299	52%	0.515	S	S	.	.	H	α-helix	trans	-59	-49.6	175.8	-68.7	-49	0	0	0	109.8	I11 S12 Y17 V18 Y19	I11-D15 HydrophobicContact CG2-CB 4.12Å; I11-D15 WeakPolarHBondContact CG2-OD2 3.38Å; S12-D15 PolarHBondContact N-OD2 3.36Å; S12-D15 WeakPolarHBondContact O-CA 3.5Å; S12-D15 WeakPolarHBondContact O-CB 3.48Å; S12-D15 PolarHBondContact O-N 3.03Å; D15-Y17 VanDerWaalsContact C-N 3.27Å; D15-Y17 PolarHBondContact O-N 3.02Å; D15-V18 PolarHBondContact O-N 3.21Å; D15-V18 VanDerWaalsContact O-N 3.17Å; D15-Y19 WeakPolarHBondContact O-CB 3.25Å; D15-Y19 VanDerWaalsContact O-CD2 3.23Å; D15-Y19 WeakPolarHBondContact O-CD2 3.45Å; D15-Y19 PolarHBondContact O-N 3.37Å
16	L	55.9	Low	55	Low	128 Å²	128	87.8 Å²	87.8	67%	0.67	50%	0.503	S	S	*	.	H	α-helix	trans	-59.5	-40.3	178.8	-170.2	70.7	0	0	0	111.5	S12 L14 Y19 L20	S12-L16 PolarHBondContact O-N 3.2Å; L14-L16 PolarHBondContact O-N 3.02Å; L16-Y19 PolarHBondContact O-N 2.88Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 PolarHBondContact O-N 2.95Å
17	Y	59.6	Low	56.6	Low	127 Å²	127	88.6 Å²	88.6	50%	0.498	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-41.6	177.1	-175.8	-101.1	0	0	0	112.5	I13 L14 D15 L20 K21	I13-Y17 VanDerWaalsContact O-CB 3.25Å; I13-Y17 WeakPolarHBondContact O-CB 3.25Å; I13-Y17 PolarHBondContact O-N 3.39Å; L14-Y17 PolarHBondContact O-N 2.9Å; D15-Y17 VanDerWaalsContact C-N 3.27Å; D15-Y17 PolarHBondContact O-N 3.02Å; Y17-L20 PolarHBondContact O-N 3.3Å; Y17-K21 HydrophobicContact CD1-CD 4.34Å; Y17-K21 HydrophobicContact CE1-CD 3.7Å; Y17-K21 HydrophobicContact CE1-CG 4.36Å; Y17-K21 VanDerWaalsContact CZ-CE 3.49Å; Y17-K21 PolarHBondContact O-N 3.49Å; Y17-K21 WeakPolarHBondContact OH-CE 3.5Å; Y17-K21 PolarHBondContact OH-NZ 3.41Å; Y17-K21 VanDerWaalsContact OH-NZ 3.1Å
18	V	57.5	Low	58	Low	69 Å²	69	87.1 Å²	87.1	42%	0.418	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-47.3	175.1	172.1	0	0	0	0	110.1	L14 D15 L20 K21 V22	L14-V18 VanDerWaalsContact O-CG2 3.28Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 2.93Å; D15-V18 PolarHBondContact O-N 3.21Å; D15-V18 VanDerWaalsContact O-N 3.17Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-L20 PolarHBondContact O-N 3.23Å; V18-K21 PolarHBondContact O-N 2.9Å; V18-V22 HydrophobicContact CG1-CG2 4.25Å; V18-V22 VanDerWaalsContact O-CG2 3.26Å; V18-V22 WeakPolarHBondContact O-CG2 3.29Å; V18-V22 PolarHBondContact O-N 2.87Å
19	Y	61.1	Low	59.1	Low	117 Å²	117	84.6 Å²	84.6	46%	0.459	47%	0.467	S	S	.	.	H	α-helix	trans	-58.2	-43.9	175.3	-90.4	-77.1	0	0	0	112.4	D15 L16 K21 V22 A23 I81	D15-Y19 WeakPolarHBondContact O-CB 3.25Å; D15-Y19 VanDerWaalsContact O-CD2 3.23Å; D15-Y19 WeakPolarHBondContact O-CD2 3.45Å; D15-Y19 PolarHBondContact O-N 3.37Å; L16-Y19 PolarHBondContact O-N 2.88Å; Y19-K21 VanDerWaalsContact C-N 3.32Å; Y19-K21 PolarHBondContact O-N 3.32Å; Y19-V22 PolarHBondContact O-N 2.81Å; Y19-A23 VanDerWaalsContact O-CB 3.29Å; Y19-A23 WeakPolarHBondContact O-CB 3.48Å; Y19-A23 PolarHBondContact O-N 3.24Å; Y19-I81 HydrophobicContact CE1-CD1 4.15Å; Y19-I81 HydrophobicContact CE1-CG1 4.04Å; Y19-I81 HydrophobicContact CE1-CG2 3.85Å; Y19-I81 HydrophobicContact CE2-CD1 4.01Å; Y19-I81 VanDerWaalsContact CZ-CD1 3.42Å; Y19-I81 WeakPolarHBondContact OH-CD1 3.46Å; Y19-I81 WeakPolarHBondContact OH-CG1 3.22Å
20	L	62.8	Low	60.2	Low	122 Å²	122	81.7 Å²	81.7	64%	0.639	45%	0.453	S	S	*	.	H	α-helix	trans	-64.5	-39.2	178.4	-161.4	78.7	0	0	0	111.3	L16 Y17 V18 A23 A24	L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 PolarHBondContact O-N 2.95Å; Y17-L20 PolarHBondContact O-N 3.3Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-L20 PolarHBondContact O-N 3.23Å; L20-A23 PolarHBondContact O-N 3.29Å; L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.27Å
21	K	61.4	Low	61.4	Low	109 Å²	109	86.8 Å²	86.8	47%	0.474	46%	0.455	S	S	.	.	H	α-helix	trans	-66.2	-45.4	174.3	-87	-170	163.5	176.1	0	112.3	Y17 V18 Y19 A23 A24 I25	Y17-K21 HydrophobicContact CD1-CD 4.34Å; Y17-K21 HydrophobicContact CE1-CD 3.7Å; Y17-K21 HydrophobicContact CE1-CG 4.36Å; Y17-K21 VanDerWaalsContact CZ-CE 3.49Å; Y17-K21 PolarHBondContact O-N 3.49Å; Y17-K21 WeakPolarHBondContact OH-CE 3.5Å; Y17-K21 PolarHBondContact OH-NZ 3.41Å; Y17-K21 VanDerWaalsContact OH-NZ 3.1Å; V18-K21 PolarHBondContact O-N 2.9Å; Y19-K21 VanDerWaalsContact C-N 3.32Å; Y19-K21 PolarHBondContact O-N 3.32Å; K21-A23 VanDerWaalsContact C-N 3.29Å; K21-A23 PolarHBondContact O-N 2.9Å; K21-A24 PolarHBondContact O-N 3.23Å; K21-I25 WeakPolarHBondContact O-CB 3.46Å; K21-I25 WeakPolarHBondContact O-CD1 3.49Å; K21-I25 WeakPolarHBondContact O-CG1 3.47Å; K21-I25 PolarHBondContact O-N 2.92Å
22	V	62.8	Low	62.3	Low	33 Å²	33	85.6 Å²	85.6	20%	0.2	45%	0.445	C	S	.	.	H	α-helix	trans	-59.9	-43.6	176.1	173.5	0	0	0	0	110	V18 Y19 I25 A26 F64 V85	V18-V22 HydrophobicContact CG1-CG2 4.25Å; V18-V22 VanDerWaalsContact O-CG2 3.26Å; V18-V22 WeakPolarHBondContact O-CG2 3.29Å; V18-V22 PolarHBondContact O-N 2.87Å; Y19-V22 PolarHBondContact O-N 2.81Å; V22-I25 PolarHBondContact O-N 3.33Å; V22-A26 WeakPolarHBondContact O-CB 3.2Å; V22-A26 PolarHBondContact O-N 3.43Å; V22-F64 HydrophobicContact CG2-CZ 4.1Å; V22-V85 HydrophobicContact CG1-CG2 4.13Å
23	A	65.4	Low	63.3	Low	46 Å²	46	83.4 Å²	83.4	38%	0.38	43%	0.43	S	S	.	.	H	α-helix	trans	-63.2	-45.1	176.2	0	0	0	0	0	112.1	Y19 L20 K21 I25 A26 I27	Y19-A23 VanDerWaalsContact O-CB 3.29Å; Y19-A23 WeakPolarHBondContact O-CB 3.48Å; Y19-A23 PolarHBondContact O-N 3.24Å; L20-A23 PolarHBondContact O-N 3.29Å; K21-A23 VanDerWaalsContact C-N 3.29Å; K21-A23 PolarHBondContact O-N 2.9Å; A23-I25 VanDerWaalsContact C-N 3.27Å; A23-I25 PolarHBondContact O-N 3.25Å; A23-A26 PolarHBondContact O-N 3.37Å; A23-I27 WeakPolarHBondContact O-CB 3.38Å; A23-I27 WeakPolarHBondContact O-CD1 3.29Å; A23-I27 VanDerWaalsContact O-CG1 3.23Å; A23-I27 WeakPolarHBondContact O-CG1 3.43Å; A23-I27 PolarHBondContact O-N 2.94Å
24	A	68.3	Low	64	Low	53 Å²	53	79.5 Å²	79.5	44%	0.438	42%	0.415	S	S	.	.	H	α-helix	trans	-60.7	-38.6	176.3	0	0	0	0	0	111.9	L20 K21 I27 T28	L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.27Å; K21-A24 PolarHBondContact O-N 3.23Å; A24-I27 PolarHBondContact O-N 3.09Å; A24-T28 WeakPolarHBondContact O-CG2 3.29Å; A24-T28 PolarHBondContact O-N 2.94Å; A24-T28 PolarHBondContact O-OG1 2.9Å
25	I	66.2	Low	64.7	Low	54 Å²	54	79.2 Å²	79.2	28%	0.277	42%	0.42	S	S	.	.	H	α-helix	trans	-69.6	-43	176.9	-68.5	167.7	0	0	0	110.9	K21 V22 A23 I27 T28 L29 F64	K21-I25 WeakPolarHBondContact O-CB 3.46Å; K21-I25 WeakPolarHBondContact O-CD1 3.49Å; K21-I25 WeakPolarHBondContact O-CG1 3.47Å; K21-I25 PolarHBondContact O-N 2.92Å; V22-I25 PolarHBondContact O-N 3.33Å; A23-I25 VanDerWaalsContact C-N 3.27Å; A23-I25 PolarHBondContact O-N 3.25Å; I25-I27 VanDerWaalsContact C-N 3.3Å; I25-I27 PolarHBondContact O-N 3.23Å; I25-T28 WeakPolarHBondContact CA-OG1 3.5Å; I25-T28 PolarHBondContact O-N 3.4Å; I25-T28 PolarHBondContact O-OG1 2.96Å; I25-L29 HydrophobicContact CG2-CD1 3.83Å; I25-L29 HydrophobicContact CG2-CG 4.29Å; I25-L29 WeakPolarHBondContact O-CB 3.41Å; I25-L29 WeakPolarHBondContact O-CD1 3.38Å; I25-L29 WeakPolarHBondContact O-CG 3.24Å; I25-L29 PolarHBondContact O-N 3.25Å; I25-F64 HydrophobicContact CD1-CD2 3.82Å; I25-F64 HydrophobicContact CD1-CE2 3.14Å; I25-F64 HydrophobicContact CD1-CZ 3.66Å; I25-F64 HydrophobicContact CG1-CE2 4.43Å; I25-F64 HydrophobicContact CG2-CD2 4.49Å; I25-F64 HydrophobicContact CG2-CE1 4.49Å; I25-F64 HydrophobicContact CG2-CE2 4.4Å; I25-F64 HydrophobicContact CG2-CZ 4.38Å
26	A	68.2	Low	65	Low	43 Å²	43	77.4 Å²	77.4	36%	0.355	41%	0.41	S	S	.	.	H	α-helix	trans	-58.9	-44	174.4	0	0	0	0	0	111.3	V22 A23 L29 I30	V22-A26 WeakPolarHBondContact O-CB 3.2Å; V22-A26 PolarHBondContact O-N 3.43Å; A23-A26 PolarHBondContact O-N 3.37Å; A26-L29 PolarHBondContact O-N 2.9Å; A26-I30 VanDerWaalsContact O-CG1 3.24Å; A26-I30 WeakPolarHBondContact O-CG1 3.36Å; A26-I30 PolarHBondContact O-N 3.32Å
27	I	71.6	Confident	65.4	Low	88 Å²	88	75.3 Å²	75.3	45%	0.451	40%	0.396	S	S	.	.	H	α-helix	trans	-63.2	-45.2	177.8	-67.8	163.9	0	0	0	111.1	A23 A24 I25 L29 I30 Y31	A23-I27 WeakPolarHBondContact O-CB 3.38Å; A23-I27 WeakPolarHBondContact O-CD1 3.29Å; A23-I27 VanDerWaalsContact O-CG1 3.23Å; A23-I27 WeakPolarHBondContact O-CG1 3.43Å; A23-I27 PolarHBondContact O-N 2.94Å; A24-I27 PolarHBondContact O-N 3.09Å; I25-I27 VanDerWaalsContact C-N 3.3Å; I25-I27 PolarHBondContact O-N 3.23Å; I27-L29 PolarHBondContact O-N 3.4Å; I27-I30 PolarHBondContact O-N 2.92Å; I27-Y31 HydrophobicContact CG2-CD2 3.59Å; I27-Y31 HydrophobicContact CG2-CE2 3.46Å; I27-Y31 VanDerWaalsContact CG2-CE2 3.46Å; I27-Y31 VanDerWaalsContact O-CD2 3.25Å; I27-Y31 WeakPolarHBondContact O-CD2 3.32Å; I27-Y31 PolarHBondContact O-N 3.45Å
28	T	70.3	Confident	65.8	Low	84 Å²	84	74.6 Å²	74.6	52%	0.515	40%	0.399	S	S	.	.	H	α-helix	trans	-66.1	-37.3	177.7	50.8	0	0	0	0	112.2	A24 I25 I30 Y31 F32	A24-T28 WeakPolarHBondContact O-CG2 3.29Å; A24-T28 PolarHBondContact O-N 2.94Å; A24-T28 PolarHBondContact O-OG1 2.9Å; I25-T28 WeakPolarHBondContact CA-OG1 3.5Å; I25-T28 PolarHBondContact O-N 3.4Å; I25-T28 PolarHBondContact O-OG1 2.96Å; T28-I30 VanDerWaalsContact C-N 3.34Å; T28-Y31 PolarHBondContact O-N 3.01Å; T28-F32 WeakPolarHBondContact O-CB 3.49Å; T28-F32 PolarHBondContact O-N 3.42Å
29	L	65.2	Low	65.9	Low	27 Å²	27	72.7 Å²	72.7	14%	0.141	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-41.8	173	-68.8	164.7	0	0	0	111.5	I25 A26 I27 F32 T33 F57 L89	I25-L29 HydrophobicContact CG2-CD1 3.83Å; I25-L29 HydrophobicContact CG2-CG 4.29Å; I25-L29 WeakPolarHBondContact O-CB 3.41Å; I25-L29 WeakPolarHBondContact O-CD1 3.38Å; I25-L29 WeakPolarHBondContact O-CG 3.24Å; I25-L29 PolarHBondContact O-N 3.25Å; A26-L29 PolarHBondContact O-N 2.9Å; I27-L29 PolarHBondContact O-N 3.4Å; L29-F32 PolarHBondContact O-N 3.37Å; L29-T33 WeakPolarHBondContact O-CB 3.44Å; L29-T33 PolarHBondContact O-N 2.91Å; L29-T33 PolarHBondContact O-OG1 3.27Å; L29-F57 HydrophobicContact CB-CE2 3.95Å; L29-F57 HydrophobicContact CB-CZ 3.96Å; L29-F57 HydrophobicContact CD2-CD2 3.8Å; L29-F57 HydrophobicContact CD2-CE1 4.32Å; L29-F57 HydrophobicContact CD2-CE2 3.08Å; L29-F57 HydrophobicContact CD2-CZ 3.39Å; L29-F57 HydrophobicContact CG-CE2 4.07Å; L29-F57 HydrophobicContact CG-CZ 4.19Å; L29-L89 HydrophobicContact CD1-CD1 3.77Å
30	I	70	Confident	65.8	Low	95 Å²	95	68.4 Å²	68.4	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-51.8	175.7	-68.8	162.7	0	0	0	110.4	A26 I27 T28 F32 T33 C34	A26-I30 VanDerWaalsContact O-CG1 3.24Å; A26-I30 WeakPolarHBondContact O-CG1 3.36Å; A26-I30 PolarHBondContact O-N 3.32Å; I27-I30 PolarHBondContact O-N 2.92Å; T28-I30 VanDerWaalsContact C-N 3.34Å; I30-F32 VanDerWaalsContact C-N 3.3Å; I30-F32 PolarHBondContact O-N 3.25Å; I30-T33 PolarHBondContact O-N 3.47Å; I30-T33 VanDerWaalsContact O-N 3.14Å; I30-C34 PolarHBondContact O-N 3.12Å; I30-C34 PolarHBondContact O-SG 3.29Å
31	Y	66.5	Low	65.7	Low	165 Å²	165	66.9 Å²	66.9	65%	0.647	39%	0.39	S	S	*	.	H	α-helix	trans	-58.7	-44.3	178.8	-84.8	-65.2	0	0	0	111.8	I27 T28 T33 C34 S35	I27-Y31 HydrophobicContact CG2-CD2 3.59Å; I27-Y31 HydrophobicContact CG2-CE2 3.46Å; I27-Y31 VanDerWaalsContact CG2-CE2 3.46Å; I27-Y31 VanDerWaalsContact O-CD2 3.25Å; I27-Y31 WeakPolarHBondContact O-CD2 3.32Å; I27-Y31 PolarHBondContact O-N 3.45Å; T28-Y31 PolarHBondContact O-N 3.01Å; Y31-T33 VanDerWaalsContact C-N 3.29Å; Y31-T33 PolarHBondContact O-N 2.88Å; Y31-C34 PolarHBondContact O-N 3.49Å; Y31-S35 PolarHBondContact O-N 2.93Å; Y31-S35 PolarHBondContact O-OG 3.02Å; Y31-S35 VanDerWaalsContact O-OG 3.12Å
32	F	68.1	Low	65.5	Low	92 Å²	92	67.6 Å²	67.6	40%	0.404	40%	0.398	S	S	.	.	H	α-helix	trans	-60.4	-42.4	177.8	-169.9	-109.9	0	0	0	111.3	T28 L29 I30 S35 I36 I53 F57	T28-F32 WeakPolarHBondContact O-CB 3.49Å; T28-F32 PolarHBondContact O-N 3.42Å; L29-F32 PolarHBondContact O-N 3.37Å; I30-F32 VanDerWaalsContact C-N 3.3Å; I30-F32 PolarHBondContact O-N 3.25Å; F32-S35 PolarHBondContact O-N 3.35Å; F32-I36 HydrophobicContact CD1-CD1 3.46Å; F32-I36 VanDerWaalsContact CD1-CD1 3.46Å; F32-I36 HydrophobicContact CD1-CG1 4.32Å; F32-I36 HydrophobicContact CE1-CD1 3.41Å; F32-I36 VanDerWaalsContact CE1-CD1 3.41Å; F32-I36 HydrophobicContact CE1-CG1 4.27Å; F32-I36 HydrophobicContact CG-CD1 4.31Å; F32-I36 HydrophobicContact CZ-CD1 4.16Å; F32-I36 WeakPolarHBondContact O-CB 3.27Å; F32-I36 VanDerWaalsContact O-CG1 3.25Å; F32-I36 WeakPolarHBondContact O-CG1 3Å; F32-I36 PolarHBondContact O-N 2.9Å; F32-I53 HydrophobicContact CE1-CG2 3.65Å; F32-I53 HydrophobicContact CZ-CG2 3.54Å; F32-F57 AromaticContact CD1-CD2 3.53Å; F32-F57 HydrophobicContact CD1-CD2 3.53Å; F32-F57 AromaticContact CD1-CE2 3.95Å; F32-F57 HydrophobicContact CD1-CE2 3.95Å; F32-F57 HydrophobicContact CE1-CB 4.36Å; F32-F57 AromaticContact CE1-CD2 3.87Å; F32-F57 HydrophobicContact CE1-CD2 3.87Å
33	T	68.2	Low	65	Low	11 Å²	11	71.4 Å²	71.4	7%	0.067	41%	0.413	C	S	.	.	H	α-helix	trans	-67.9	-39.4	178	-49.6	0	0	0	0	112.3	L29 I30 Y31 S35 I36 F37 F92 H96	L29-T33 WeakPolarHBondContact O-CB 3.44Å; L29-T33 PolarHBondContact O-N 2.91Å; L29-T33 PolarHBondContact O-OG1 3.27Å; I30-T33 PolarHBondContact O-N 3.47Å; I30-T33 VanDerWaalsContact O-N 3.14Å; Y31-T33 VanDerWaalsContact C-N 3.29Å; Y31-T33 PolarHBondContact O-N 2.88Å; T33-S35 VanDerWaalsContact C-N 3.34Å; T33-S35 PolarHBondContact O-N 2.86Å; T33-I36 WeakPolarHBondContact O-CB 3.42Å; T33-I36 PolarHBondContact O-N 3.34Å; T33-F37 HydrophobicContact CG2-CD2 4.07Å; T33-F37 HydrophobicContact CG2-CE2 4.19Å; T33-F37 WeakPolarHBondContact O-CD2 3.38Å; T33-F37 PolarHBondContact O-N 3.26Å; T33-F92 HydrophobicContact CG2-CE1 3.78Å; T33-F92 HydrophobicContact CG2-CE2 4.4Å; T33-F92 HydrophobicContact CG2-CZ 3.36Å; T33-F92 VanDerWaalsContact OG1-CE1 3.29Å; T33-F92 WeakPolarHBondContact OG1-CE1 3.11Å; T33-F92 VanDerWaalsContact OG1-CZ 3.28Å; T33-F92 WeakPolarHBondContact OG1-CZ 3.3Å; T33-H96 WeakPolarHBondContact CG2-NE2 3.25Å
34	C	69.4	Low	64.7	Low	67 Å²	67	75.9 Å²	75.9	45%	0.453	44%	0.436	S	S	.	.	H	α-helix	trans	-59.9	-44.5	171.7	-71.7	0	0	0	0	111.6	I30 Y31 I36 F37 I38	I30-C34 PolarHBondContact O-N 3.12Å; I30-C34 PolarHBondContact O-SG 3.29Å; Y31-C34 PolarHBondContact O-N 3.49Å; C34-I36 VanDerWaalsContact C-N 3.31Å; C34-I36 PolarHBondContact O-N 3.44Å; C34-F37 PolarHBondContact O-N 2.97Å; C34-I38 WeakPolarHBondContact O-CG1 3.41Å; C34-I38 PolarHBondContact O-N 2.73Å; C34-I38 VanDerWaalsContact O-N 3.12Å
35	S	65.1	Low	64.1	Low	78 Å²	78	81.9 Å²	81.9	55%	0.545	46%	0.455	S	S	.	.	H	α-helix	trans	-61.8	-40	176.4	-61.9	0	0	0	0	112	Y31 F32 T33 I38 G39	Y31-S35 PolarHBondContact O-N 2.93Å; Y31-S35 PolarHBondContact O-OG 3.02Å; Y31-S35 VanDerWaalsContact O-OG 3.12Å; F32-S35 PolarHBondContact O-N 3.35Å; T33-S35 VanDerWaalsContact C-N 3.34Å; T33-S35 PolarHBondContact O-N 2.86Å; S35-I38 PolarHBondContact O-N 3.44Å; S35-G39 PolarHBondContact O-N 3.27Å
36	I	62.2	Low	63.7	Low	18 Å²	18	82.3 Å²	82.3	9%	0.092	46%	0.458	C	S	.	.	H	α-helix	trans	-59.6	-52.4	174.1	-75.3	169.4	0	0	0	110	F32 T33 C34 I38 G39 G40 F50 I53	F32-I36 HydrophobicContact CD1-CD1 3.46Å; F32-I36 VanDerWaalsContact CD1-CD1 3.46Å; F32-I36 HydrophobicContact CD1-CG1 4.32Å; F32-I36 HydrophobicContact CE1-CD1 3.41Å; F32-I36 VanDerWaalsContact CE1-CD1 3.41Å; F32-I36 HydrophobicContact CE1-CG1 4.27Å; F32-I36 HydrophobicContact CG-CD1 4.31Å; F32-I36 HydrophobicContact CZ-CD1 4.16Å; F32-I36 WeakPolarHBondContact O-CB 3.27Å; F32-I36 VanDerWaalsContact O-CG1 3.25Å; F32-I36 WeakPolarHBondContact O-CG1 3Å; F32-I36 PolarHBondContact O-N 2.9Å; T33-I36 WeakPolarHBondContact O-CB 3.42Å; T33-I36 PolarHBondContact O-N 3.34Å; C34-I36 VanDerWaalsContact C-N 3.31Å; C34-I36 PolarHBondContact O-N 3.44Å; I36-I38 VanDerWaalsContact C-N 3.29Å; I36-I38 PolarHBondContact O-N 2.85Å; I36-G39 PolarHBondContact O-N 3.12Å; I36-G40 PolarHBondContact O-N 3.32Å; I36-F50 HydrophobicContact CB-CE2 4.27Å; I36-F50 HydrophobicContact CB-CZ 4.47Å; I36-F50 HydrophobicContact CG2-CD1 4.4Å; I36-F50 HydrophobicContact CG2-CD2 3.82Å; I36-F50 HydrophobicContact CG2-CE1 3.73Å; I36-F50 HydrophobicContact CG2-CE2 3.09Å; I36-F50 HydrophobicContact CG2-CG 4.44Å; I36-F50 HydrophobicContact CG2-CZ 3.04Å; I36-F50 WeakPolarHBondContact O-CE2 3.35Å; I36-I53 HydrophobicContact CD1-CG2 3.5Å; I36-I53 VanDerWaalsContact CD1-CG2 3.5Å; I36-I53 HydrophobicContact CG1-CG2 3.82Å
37	F	64.3	Low	63.4	Low	83 Å²	83	82.8 Å²	82.8	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-55.4	-44.1	-179.6	-96.9	-103	0	0	0	113	T33 C34 A41 H96 T99	T33-F37 HydrophobicContact CG2-CD2 4.07Å; T33-F37 HydrophobicContact CG2-CE2 4.19Å; T33-F37 WeakPolarHBondContact O-CD2 3.38Å; T33-F37 PolarHBondContact O-N 3.26Å; C34-F37 PolarHBondContact O-N 2.97Å; F37-A41 WeakPolarHBondContact O-CB 2.96Å; F37-A41 PolarHBondContact O-N 3.49Å; F37-A41 VanDerWaalsContact O-N 3.09Å; F37-H96 AromaticContact CD2-CE1 3.91Å; F37-H96 AromaticContact CE2-CE1 3Å; F37-H96 WeakPolarHBondContact CE2-CE1 3.25Å; F37-H96 AromaticContact CE2-ND1 2.96Å; F37-H96 WeakPolarHBondContact CE2-ND1 3.4Å; F37-H96 AromaticContact CZ-CE1 3.36Å; F37-H96 WeakPolarHBondContact CZ-CE1 3.23Å; F37-H96 AromaticContact CZ-ND1 3.15Å; F37-H96 WeakPolarHBondContact CZ-ND1 3.47Å; F37-T99 HydrophobicContact CE1-CG2 4.22Å; F37-T99 HydrophobicContact CZ-CG2 4.25Å
38	I	66.3	Low	62.9	Low	112 Å²	112	85 Å²	85	57%	0.574	48%	0.475	S	S	*	.	H	α-helix	trans	-65.5	-42.3	177.8	-63.5	165.3	0	0	0	110.2	C34 S35 I36 I42	C34-I38 WeakPolarHBondContact O-CG1 3.41Å; C34-I38 PolarHBondContact O-N 2.73Å; C34-I38 VanDerWaalsContact O-N 3.12Å; S35-I38 PolarHBondContact O-N 3.44Å; I36-I38 VanDerWaalsContact C-N 3.29Å; I36-I38 PolarHBondContact O-N 2.85Å; I38-I42 HydrophobicContact CG2-CD1 4.2Å; I38-I42 WeakPolarHBondContact O-CD1 3.39Å; I38-I42 WeakPolarHBondContact O-CG1 3.47Å
39	G	61.5	Low	62.6	Low	29 Å²	29	87 Å²	87	30%	0.299	48%	0.478	S	S	.	.	H	α-helix	trans	-66.3	-43.8	178.3	0	0	0	0	0	113.8	S35 I36 I42	S35-G39 PolarHBondContact O-N 3.27Å; I36-G39 PolarHBondContact O-N 3.12Å; G39-I42 PolarHBondContact O-N 3.34Å
40	G	57.4	Low	62.7	Low	28 Å²	28	87 Å²	87	29%	0.289	48%	0.477	S	S	.	.	H	α-helix	trans	-68.5	-33.4	179.6	0	0	0	0	0	113.4	I36 I42	I36-G40 PolarHBondContact O-N 3.32Å; G40-I42 PolarHBondContact O-N 2.92Å
41	A	60.8	Low	62.6	Low	89 Å²	89	86.1 Å²	86.1	74%	0.736	48%	0.475	S	S	*	.	H	α-helix	trans	-63.8	-24.8	175.9	0	0	0	0	0	113	F37	F37-A41 WeakPolarHBondContact O-CB 2.96Å; F37-A41 PolarHBondContact O-N 3.49Å; F37-A41 VanDerWaalsContact O-N 3.09Å
42	I	58.1	Low	62.6	Low	124 Å²	124	82.6 Å²	82.6	64%	0.636	47%	0.467	S	S	*	.	H	α-helix	trans	-92.2	-24.6	-169.5	-64.1	170.6	0	0	0	112.9	I38 G39 G40	I38-I42 HydrophobicContact CG2-CD1 4.2Å; I38-I42 WeakPolarHBondContact O-CD1 3.39Å; I38-I42 WeakPolarHBondContact O-CG1 3.47Å; G39-I42 PolarHBondContact O-N 3.34Å; G40-I42 PolarHBondContact O-N 2.92Å
43	Q	51.7	Low	62.8	Low	113 Å²	113	81.2 Å²	81.2	53%	0.528	46%	0.464	S	S	.	.			trans	-145.2	117.3	-175.9	-83.1	175.5	1.4	0	0	114.5	Q45 L46	Q43-Q45 VanDerWaalsContact C-N 3.27Å; Q43-Q45 PolarHBondContact O-N 3.17Å; Q43-L46 HydrophobicContact CB-CB 3.95Å; Q43-L46 HydrophobicContact CB-CD1 4.34Å; Q43-L46 VanDerWaalsContact O-CB 3.25Å; Q43-L46 WeakPolarHBondContact O-CB 3.37Å; Q43-L46 PolarHBondContact O-N 3Å
44	T	59.6	Low	62.9	Low	141 Å²	141	81.9 Å²	81.9	87%	0.865	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-66.7	-22.6	175.4	49.5	0	0	0	0	113.9	L46	T44-L46 VanDerWaalsContact C-N 3.32Å
45	Q	55.6	Low	63.1	Low	178 Å²	178	82.9 Å²	82.9	83%	0.832	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-78.8	-15.4	170.9	-75.4	-178.8	-27.1	0	0	113.2	Q43 A47	Q43-Q45 VanDerWaalsContact C-N 3.27Å; Q43-Q45 PolarHBondContact O-N 3.17Å; Q45-A47 PolarHBondContact O-N 3.35Å
46	L	56.6	Low	63.4	Low	63 Å²	63	85.7 Å²	85.7	33%	0.33	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-79.5	-4.6	179.1	-128.6	78.1	0	0	0	113	Q43 T44 D48 H49 F50	Q43-L46 HydrophobicContact CB-CB 3.95Å; Q43-L46 HydrophobicContact CB-CD1 4.34Å; Q43-L46 VanDerWaalsContact O-CB 3.25Å; Q43-L46 WeakPolarHBondContact O-CB 3.37Å; Q43-L46 PolarHBondContact O-N 3Å; T44-L46 VanDerWaalsContact C-N 3.32Å; L46-D48 VanDerWaalsContact C-N 3.26Å; L46-D48 PolarHBondContact O-N 2.71Å; L46-H49 HydrophobicContact CG-CB 4.35Å; L46-H49 PolarHBondContact O-N 2.94Å; L46-F50 WeakPolarHBondContact O-CB 3.36Å; L46-F50 PolarHBondContact O-N 2.92Å
47	A	62.4	Low	64	Low	54 Å²	54	85.5 Å²	85.5	45%	0.446	47%	0.465	S	S	.	.	H	α-helix	trans	-53.3	-41.4	-176.8	0	0	0	0	0	112.5	Q45 F50 V51	Q45-A47 PolarHBondContact O-N 3.35Å; A47-F50 WeakPolarHBondContact O-CB 3.38Å; A47-F50 PolarHBondContact O-N 3.47Å; A47-V51 VanDerWaalsContact O-CG2 3.29Å; A47-V51 WeakPolarHBondContact O-CG2 3.43Å; A47-V51 PolarHBondContact O-N 3.46Å
48	D	62.1	Low	64.5	Low	135 Å²	135	83.3 Å²	83.3	72%	0.722	46%	0.458	S	S	*	.	H	α-helix	trans	-64.7	-43	177.2	-89.7	-7.4	0	0	0	112.5	L46 F50 V51 L52	L46-D48 VanDerWaalsContact C-N 3.26Å; L46-D48 PolarHBondContact O-N 2.71Å; D48-F50 VanDerWaalsContact C-N 3.29Å; D48-F50 PolarHBondContact O-N 2.89Å; D48-V51 PolarHBondContact O-N 3.45Å; D48-L52 WeakPolarHBondContact O-CB 3.32Å; D48-L52 PolarHBondContact O-N 3.41Å
49	H	63.4	Low	64.9	Low	124 Å²	124	82.5 Å²	82.5	57%	0.574	45%	0.454	S	S	*	.	H	α-helix	trans	-66.9	-36.1	175.4	-83.1	53.8	0	0	0	111.4	L46 L52 I53	L46-H49 HydrophobicContact CG-CB 4.35Å; L46-H49 PolarHBondContact O-N 2.94Å; H49-L52 WeakPolarHBondContact O-CB 3.29Å; H49-L52 PolarHBondContact O-N 3.29Å; H49-I53 WeakPolarHBondContact O-CB 3.43Å; H49-I53 WeakPolarHBondContact O-CD1 3.44Å; H49-I53 VanDerWaalsContact O-CG1 3.25Å; H49-I53 WeakPolarHBondContact O-CG1 3.2Å; H49-I53 PolarHBondContact O-N 3.37Å
50	F	66.8	Low	65.6	Low	29 Å²	29	86 Å²	86	13%	0.127	47%	0.465	C	S	.	.	H	α-helix	trans	-64.7	-45.7	177.7	-165.8	-78.8	0	0	0	111.3	I36 L46 A47 D48 L52 I53 L54 I100	I36-F50 HydrophobicContact CB-CE2 4.27Å; I36-F50 HydrophobicContact CB-CZ 4.47Å; I36-F50 HydrophobicContact CG2-CD1 4.4Å; I36-F50 HydrophobicContact CG2-CD2 3.82Å; I36-F50 HydrophobicContact CG2-CE1 3.73Å; I36-F50 HydrophobicContact CG2-CE2 3.09Å; I36-F50 HydrophobicContact CG2-CG 4.44Å; I36-F50 HydrophobicContact CG2-CZ 3.04Å; I36-F50 WeakPolarHBondContact O-CE2 3.35Å; L46-F50 WeakPolarHBondContact O-CB 3.36Å; L46-F50 PolarHBondContact O-N 2.92Å; A47-F50 WeakPolarHBondContact O-CB 3.38Å; A47-F50 PolarHBondContact O-N 3.47Å; D48-F50 VanDerWaalsContact C-N 3.29Å; D48-F50 PolarHBondContact O-N 2.89Å; F50-L52 VanDerWaalsContact C-N 3.32Å; F50-L52 PolarHBondContact O-N 2.92Å; F50-I53 PolarHBondContact O-N 2.72Å; F50-L54 HydrophobicContact CD1-CD1 4.45Å; F50-L54 HydrophobicContact CE1-CD1 3.99Å; F50-L54 WeakPolarHBondContact O-CB 3.37Å; F50-L54 PolarHBondContact O-N 2.85Å; F50-I100 HydrophobicContact CD1-CD1 4.5Å; F50-I100 HydrophobicContact CE1-CD1 3.83Å; F50-I100 HydrophobicContact CE1-CG1 4.15Å
51	V	68.3	Low	66.4	Low	75 Å²	75	85.4 Å²	85.4	46%	0.455	46%	0.456	S	S	.	.	H	α-helix	trans	-60.7	-44.1	174.9	171.6	0	0	0	0	110.3	A47 D48 I53 L54 I55	A47-V51 VanDerWaalsContact O-CG2 3.29Å; A47-V51 WeakPolarHBondContact O-CG2 3.43Å; A47-V51 PolarHBondContact O-N 3.46Å; D48-V51 PolarHBondContact O-N 3.45Å; V51-I53 PolarHBondContact O-N 2.84Å; V51-L54 PolarHBondContact O-N 3.4Å; V51-I55 HydrophobicContact CG1-CD1 3.85Å; V51-I55 HydrophobicContact CG1-CG1 4.45Å; V51-I55 VanDerWaalsContact O-CG1 3.29Å; V51-I55 WeakPolarHBondContact O-CG1 3.28Å; V51-I55 PolarHBondContact O-N 2.71Å
52	L	67.5	Low	67.1	Low	91 Å²	91	86.3 Å²	86.3	48%	0.476	45%	0.447	S	S	.	.	H	α-helix	trans	-59.8	-47.8	177.2	-164.8	91.4	0	0	0	111.7	D48 H49 F50 L54 I55 Y56	D48-L52 WeakPolarHBondContact O-CB 3.32Å; D48-L52 PolarHBondContact O-N 3.41Å; H49-L52 WeakPolarHBondContact O-CB 3.29Å; H49-L52 PolarHBondContact O-N 3.29Å; F50-L52 VanDerWaalsContact C-N 3.32Å; F50-L52 PolarHBondContact O-N 2.92Å; L52-L54 VanDerWaalsContact C-N 3.28Å; L52-L54 PolarHBondContact O-N 3.28Å; L52-I55 WeakPolarHBondContact O-CB 3.42Å; L52-I55 PolarHBondContact O-N 3.48Å; L52-Y56 HydrophobicContact CD1-CE2 4.48Å; L52-Y56 HydrophobicContact CD2-CD2 4.27Å; L52-Y56 HydrophobicContact CD2-CE2 3.69Å; L52-Y56 HydrophobicContact CG-CD2 4.05Å; L52-Y56 HydrophobicContact CG-CE2 3.73Å; L52-Y56 WeakPolarHBondContact O-CD2 3.32Å; L52-Y56 PolarHBondContact O-N 3.48Å
53	I	70.8	Confident	67.7	Low	63 Å²	63	83.1 Å²	83.1	32%	0.323	44%	0.439	S	S	.	.	H	α-helix	trans	-59.8	-41.9	177.1	-73.5	164.3	0	0	0	110.7	F32 I36 H49 F50 V51 I55 Y56 F57	F32-I53 HydrophobicContact CE1-CG2 3.65Å; F32-I53 HydrophobicContact CZ-CG2 3.54Å; I36-I53 HydrophobicContact CD1-CG2 3.5Å; I36-I53 VanDerWaalsContact CD1-CG2 3.5Å; I36-I53 HydrophobicContact CG1-CG2 3.82Å; H49-I53 WeakPolarHBondContact O-CB 3.43Å; H49-I53 WeakPolarHBondContact O-CD1 3.44Å; H49-I53 VanDerWaalsContact O-CG1 3.25Å; H49-I53 WeakPolarHBondContact O-CG1 3.2Å; H49-I53 PolarHBondContact O-N 3.37Å; F50-I53 PolarHBondContact O-N 2.72Å; V51-I53 PolarHBondContact O-N 2.84Å; I53-I55 VanDerWaalsContact C-N 3.35Å; I53-Y56 WeakPolarHBondContact O-CB 3.29Å; I53-Y56 PolarHBondContact O-N 3.26Å; I53-F57 WeakPolarHBondContact O-CB 3.27Å; I53-F57 PolarHBondContact O-N 3.12Å
54	L	71.2	Confident	68.8	Low	26 Å²	26	80.5 Å²	80.5	14%	0.136	43%	0.427	C	S	.	.	H	α-helix	trans	-66.8	-38.3	179.2	-158.8	137	0	0	0	111.6	F50 V51 L52 F57 V58 L97 I100	F50-L54 HydrophobicContact CD1-CD1 4.45Å; F50-L54 HydrophobicContact CE1-CD1 3.99Å; F50-L54 WeakPolarHBondContact O-CB 3.37Å; F50-L54 PolarHBondContact O-N 2.85Å; V51-L54 PolarHBondContact O-N 3.4Å; L52-L54 VanDerWaalsContact C-N 3.28Å; L52-L54 PolarHBondContact O-N 3.28Å; L54-F57 WeakPolarHBondContact O-CB 3.46Å; L54-F57 PolarHBondContact O-N 2.87Å; L54-V58 HydrophobicContact CD2-CG2 4.43Å; L54-V58 VanDerWaalsContact O-CG2 3.29Å; L54-V58 WeakPolarHBondContact O-CG2 3.44Å; L54-V58 PolarHBondContact O-N 2.83Å; L54-L97 HydrophobicContact CD2-CD2 4.18Å; L54-I100 HydrophobicContact CD1-CD1 3.3Å
55	I	72.5	Confident	69.4	Low	87 Å²	87	76.4 Å²	76.4	45%	0.446	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-45.8	171.2	-68.5	165	0	0	0	110.4	V51 L52 I53 F57 V58 I59	V51-I55 HydrophobicContact CG1-CD1 3.85Å; V51-I55 HydrophobicContact CG1-CG1 4.45Å; V51-I55 VanDerWaalsContact O-CG1 3.29Å; V51-I55 WeakPolarHBondContact O-CG1 3.28Å; V51-I55 PolarHBondContact O-N 2.71Å; L52-I55 WeakPolarHBondContact O-CB 3.42Å; L52-I55 PolarHBondContact O-N 3.48Å; I53-I55 VanDerWaalsContact C-N 3.35Å; I55-F57 VanDerWaalsContact C-N 3.28Å; I55-F57 PolarHBondContact O-N 2.94Å; I55-V58 WeakPolarHBondContact O-CB 2.78Å; I55-V58 PolarHBondContact O-N 3.26Å; I55-I59 HydrophobicContact CG2-CD1 3.83Å; I55-I59 HydrophobicContact CG2-CG1 4.44Å; I55-I59 VanDerWaalsContact O-CG1 3.31Å; I55-I59 WeakPolarHBondContact O-CG1 3.18Å; I55-I59 PolarHBondContact O-N 2.89Å
56	Y	72.8	Confident	70	Confident	137 Å²	137	70.3 Å²	70.3	54%	0.537	38%	0.381	S	S	.	.	H	α-helix	trans	-59.1	-41.3	175.6	-83.2	-66.8	0	0	0	112.1	L52 I53 I59 I60	L52-Y56 HydrophobicContact CD1-CE2 4.48Å; L52-Y56 HydrophobicContact CD2-CD2 4.27Å; L52-Y56 HydrophobicContact CD2-CE2 3.69Å; L52-Y56 HydrophobicContact CG-CD2 4.05Å; L52-Y56 HydrophobicContact CG-CE2 3.73Å; L52-Y56 WeakPolarHBondContact O-CD2 3.32Å; L52-Y56 PolarHBondContact O-N 3.48Å; I53-Y56 WeakPolarHBondContact O-CB 3.29Å; I53-Y56 PolarHBondContact O-N 3.26Å; Y56-I59 PolarHBondContact O-N 3.43Å; Y56-I60 VanDerWaalsContact O-CG1 3.29Å; Y56-I60 WeakPolarHBondContact O-CG1 3.45Å; Y56-I60 PolarHBondContact O-N 3.41Å
57	F	74.2	Confident	70.5	Confident	14 Å²	14	69.3 Å²	69.3	6%	0.061	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-44.8	176.3	-174.6	-93.5	0	0	0	112	L29 F32 I53 L54 I55 I59 I60 S61 F92 L93	L29-F57 HydrophobicContact CB-CE2 3.95Å; L29-F57 HydrophobicContact CB-CZ 3.96Å; L29-F57 HydrophobicContact CD2-CD2 3.8Å; L29-F57 HydrophobicContact CD2-CE1 4.32Å; L29-F57 HydrophobicContact CD2-CE2 3.08Å; L29-F57 HydrophobicContact CD2-CZ 3.39Å; L29-F57 HydrophobicContact CG-CE2 4.07Å; L29-F57 HydrophobicContact CG-CZ 4.19Å; F32-F57 AromaticContact CD1-CD2 3.53Å; F32-F57 HydrophobicContact CD1-CD2 3.53Å; F32-F57 AromaticContact CD1-CE2 3.95Å; F32-F57 HydrophobicContact CD1-CE2 3.95Å; F32-F57 HydrophobicContact CE1-CB 4.36Å; F32-F57 AromaticContact CE1-CD2 3.87Å; F32-F57 HydrophobicContact CE1-CD2 3.87Å; I53-F57 WeakPolarHBondContact O-CB 3.27Å; I53-F57 PolarHBondContact O-N 3.12Å; L54-F57 WeakPolarHBondContact O-CB 3.46Å; L54-F57 PolarHBondContact O-N 2.87Å; I55-F57 VanDerWaalsContact C-N 3.28Å; I55-F57 PolarHBondContact O-N 2.94Å; F57-I59 VanDerWaalsContact C-N 3.32Å; F57-I59 PolarHBondContact O-N 2.93Å; F57-I60 PolarHBondContact O-N 3.17Å; F57-S61 VanDerWaalsContact O-CB 3.28Å; F57-S61 WeakPolarHBondContact O-CB 3.36Å; F57-S61 PolarHBondContact O-N 3.34Å; F57-F92 HydrophobicContact CE1-CD1 4.44Å; F57-F92 HydrophobicContact CE1-CE1 4.28Å; F57-F92 HydrophobicContact CZ-CE1 4.09Å; F57-L93 HydrophobicContact CD1-CD1 4.19Å; F57-L93 HydrophobicContact CE1-CD1 4.33Å
58	V	74.7	Confident	70.7	Confident	37 Å²	37	68.1 Å²	68.1	22%	0.224	37%	0.372	C	S	.	.	H	α-helix	trans	-58.1	-45.7	173.9	172	0	0	0	0	110.8	L54 I55 S61 I62 L93	L54-V58 HydrophobicContact CD2-CG2 4.43Å; L54-V58 VanDerWaalsContact O-CG2 3.29Å; L54-V58 WeakPolarHBondContact O-CG2 3.44Å; L54-V58 PolarHBondContact O-N 2.83Å; I55-V58 WeakPolarHBondContact O-CB 2.78Å; I55-V58 PolarHBondContact O-N 3.26Å; V58-S61 WeakPolarHBondContact O-CB 3.03Å; V58-S61 PolarHBondContact O-N 3.14Å; V58-I62 HydrophobicContact CG1-CD1 3.69Å; V58-I62 HydrophobicContact CG1-CG1 4.41Å; V58-I62 VanDerWaalsContact O-CG1 3.27Å; V58-I62 WeakPolarHBondContact O-CG1 3.47Å; V58-I62 PolarHBondContact O-N 3.42Å; V58-L93 HydrophobicContact CG2-CD1 3.61Å; V58-L93 HydrophobicContact CG2-CD2 3.84Å; V58-L93 HydrophobicContact CG2-CG 4.2Å
59	I	75.1	Confident	70.7	Confident	95 Å²	95	64.8 Å²	64.8	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-46.3	179.4	-67.2	166.1	0	0	0	111	I55 Y56 F57 S61 I62 A63	I55-I59 HydrophobicContact CG2-CD1 3.83Å; I55-I59 HydrophobicContact CG2-CG1 4.44Å; I55-I59 VanDerWaalsContact O-CG1 3.31Å; I55-I59 WeakPolarHBondContact O-CG1 3.18Å; I55-I59 PolarHBondContact O-N 2.89Å; Y56-I59 PolarHBondContact O-N 3.43Å; F57-I59 VanDerWaalsContact C-N 3.32Å; F57-I59 PolarHBondContact O-N 2.93Å; I59-S61 VanDerWaalsContact C-N 3.32Å; I59-S61 PolarHBondContact O-N 2.9Å; I59-I62 PolarHBondContact O-N 2.9Å; I59-A63 WeakPolarHBondContact O-CB 3.28Å; I59-A63 PolarHBondContact O-N 3.28Å
60	I	76.4	Confident	70.6	Confident	104 Å²	104	63.2 Å²	63.2	53%	0.533	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-42.4	178.7	-68.6	165.2	0	0	0	110.6	Y56 F57 A63 F64	Y56-I60 VanDerWaalsContact O-CG1 3.29Å; Y56-I60 WeakPolarHBondContact O-CG1 3.45Å; Y56-I60 PolarHBondContact O-N 3.41Å; F57-I60 PolarHBondContact O-N 3.17Å; I60-A63 PolarHBondContact O-N 2.88Å; I60-F64 WeakPolarHBondContact O-CB 3.22Å; I60-F64 PolarHBondContact O-N 3.5Å
61	S	74.6	Confident	70.2	Confident	15 Å²	15	68.6 Å²	68.6	11%	0.105	38%	0.38	C	S	.	.	H	α-helix	trans	-57.4	-51.7	174.4	151.1	0	0	0	0	111.8	F57 V58 I59 A63 F64 V65 L89	F57-S61 VanDerWaalsContact O-CB 3.28Å; F57-S61 WeakPolarHBondContact O-CB 3.36Å; F57-S61 PolarHBondContact O-N 3.34Å; V58-S61 WeakPolarHBondContact O-CB 3.03Å; V58-S61 PolarHBondContact O-N 3.14Å; I59-S61 VanDerWaalsContact C-N 3.32Å; I59-S61 PolarHBondContact O-N 2.9Å; S61-A63 VanDerWaalsContact C-N 3.31Å; S61-A63 PolarHBondContact O-N 2.85Å; S61-F64 WeakPolarHBondContact O-CB 3.15Å; S61-F64 PolarHBondContact O-N 2.87Å; S61-F64 VanDerWaalsContact O-N 3.12Å; S61-V65 WeakPolarHBondContact O-CG2 3.45Å; S61-V65 PolarHBondContact O-N 2.86Å; S61-L89 WeakPolarHBondContact OG-CD2 3.5Å
62	I	75.2	Confident	69.8	Low	107 Å²	107	68.6 Å²	68.6	55%	0.549	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-43.4	179.5	-67.6	166	0	0	0	110.2	V58 I59 F64 V65 A66	V58-I62 HydrophobicContact CG1-CD1 3.69Å; V58-I62 HydrophobicContact CG1-CG1 4.41Å; V58-I62 VanDerWaalsContact O-CG1 3.27Å; V58-I62 WeakPolarHBondContact O-CG1 3.47Å; V58-I62 PolarHBondContact O-N 3.42Å; I59-I62 PolarHBondContact O-N 2.9Å; I62-F64 VanDerWaalsContact C-N 3.29Å; I62-F64 PolarHBondContact O-N 3.38Å; I62-V65 PolarHBondContact O-N 2.94Å; I62-A66 WeakPolarHBondContact O-CB 3.16Å; I62-A66 PolarHBondContact O-N 3.38Å
63	A	71.3	Confident	69.3	Low	57 Å²	57	68.9 Å²	68.9	47%	0.471	38%	0.377	S	S	.	.	H	α-helix	trans	-61.3	-38.5	176.6	0	0	0	0	0	111.9	I59 I60 S61 A66 A67	I59-A63 WeakPolarHBondContact O-CB 3.28Å; I59-A63 PolarHBondContact O-N 3.28Å; I60-A63 PolarHBondContact O-N 2.88Å; S61-A63 VanDerWaalsContact C-N 3.31Å; S61-A63 PolarHBondContact O-N 2.85Å; A63-A66 PolarHBondContact O-N 2.83Å; A63-A67 WeakPolarHBondContact O-CB 3.44Å; A63-A67 PolarHBondContact O-N 3.31Å
64	F	73.9	Confident	68.8	Low	59 Å²	59	72.3 Å²	72.3	26%	0.259	40%	0.395	S	S	.	.	H	α-helix	trans	-66.1	-45.4	175.7	-174.9	-105	0	0	0	111.9	V22 I25 I60 S61 I62 A66 A67 A68	V22-F64 HydrophobicContact CG2-CZ 4.1Å; I25-F64 HydrophobicContact CD1-CD2 3.82Å; I25-F64 HydrophobicContact CD1-CE2 3.14Å; I25-F64 HydrophobicContact CD1-CZ 3.66Å; I25-F64 HydrophobicContact CG1-CE2 4.43Å; I25-F64 HydrophobicContact CG2-CD2 4.49Å; I25-F64 HydrophobicContact CG2-CE1 4.49Å; I25-F64 HydrophobicContact CG2-CE2 4.4Å; I25-F64 HydrophobicContact CG2-CZ 4.38Å; I60-F64 WeakPolarHBondContact O-CB 3.22Å; I60-F64 PolarHBondContact O-N 3.5Å; S61-F64 WeakPolarHBondContact O-CB 3.15Å; S61-F64 PolarHBondContact O-N 2.87Å; S61-F64 VanDerWaalsContact O-N 3.12Å; I62-F64 VanDerWaalsContact C-N 3.29Å; I62-F64 PolarHBondContact O-N 3.38Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 3.36Å; F64-A67 PolarHBondContact O-N 3.44Å; F64-A68 WeakPolarHBondContact O-CB 3.37Å; F64-A68 PolarHBondContact O-N 3.31Å
65	V	71.7	Confident	67.9	Low	55 Å²	55	75.8 Å²	75.8	33%	0.333	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-41.4	175.6	174.8	0	0	0	0	110.9	S61 I62 A68 T69	S61-V65 WeakPolarHBondContact O-CG2 3.45Å; S61-V65 PolarHBondContact O-N 2.86Å; I62-V65 PolarHBondContact O-N 2.94Å; V65-A68 PolarHBondContact O-N 3.25Å; V65-T69 WeakPolarHBondContact O-CB 3.33Å; V65-T69 PolarHBondContact O-N 2.87Å; V65-T69 PolarHBondContact O-OG1 2.94Å
66	A	69.5	Low	67	Low	49 Å²	49	79.1 Å²	79.1	41%	0.405	42%	0.424	S	S	.	.	H	α-helix	trans	-62.6	-45.8	175.2	0	0	0	0	0	111.6	I62 A63 F64 T69 V70	I62-A66 WeakPolarHBondContact O-CB 3.16Å; I62-A66 PolarHBondContact O-N 3.38Å; A63-A66 PolarHBondContact O-N 2.83Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 3.36Å; A66-T69 VanDerWaalsContact CA-OG1 3.27Å; A66-T69 WeakPolarHBondContact CA-OG1 3.21Å; A66-T69 PolarHBondContact O-N 2.89Å; A66-T69 PolarHBondContact O-OG1 3.4Å; A66-V70 VanDerWaalsContact O-CG2 3.29Å; A66-V70 WeakPolarHBondContact O-CG2 3.2Å; A66-V70 PolarHBondContact O-N 3.21Å
67	A	66.6	Low	66.1	Low	43 Å²	43	84.2 Å²	84.2	36%	0.355	44%	0.442	S	S	.	.	H	α-helix	trans	-61.7	-46.3	175.6	0	0	0	0	0	111.2	A63 F64 T69 V70 F71	A63-A67 WeakPolarHBondContact O-CB 3.44Å; A63-A67 PolarHBondContact O-N 3.31Å; F64-A67 PolarHBondContact O-N 3.44Å; A67-T69 VanDerWaalsContact C-N 3.34Å; A67-T69 PolarHBondContact O-N 2.85Å; A67-V70 PolarHBondContact O-N 3.32Å; A67-F71 VanDerWaalsContact O-CD2 3.22Å; A67-F71 WeakPolarHBondContact O-CD2 3.42Å; A67-F71 PolarHBondContact O-N 3.36Å
68	A	65.3	Low	65	Low	29 Å²	29	85.3 Å²	85.3	24%	0.24	45%	0.454	C	S	.	.	H	α-helix	trans	-61.5	-41.4	178.1	0	0	0	0	0	111.9	F64 V65 F71 Y72	F64-A68 WeakPolarHBondContact O-CB 3.37Å; F64-A68 PolarHBondContact O-N 3.31Å; V65-A68 PolarHBondContact O-N 3.25Å; A68-F71 PolarHBondContact O-N 3.35Å; A68-Y72 WeakPolarHBondContact O-CB 3.47Å; A68-Y72 PolarHBondContact O-N 2.87Å
69	T	63.7	Low	64.1	Low	64 Å²	64	86.2 Å²	86.2	39%	0.393	47%	0.465	S	S	.	.	H	α-helix	trans	-66.5	-37.1	175.4	38.9	0	0	0	0	112.4	V65 A66 A67 Y72 V73	V65-T69 WeakPolarHBondContact O-CB 3.33Å; V65-T69 PolarHBondContact O-N 2.87Å; V65-T69 PolarHBondContact O-OG1 2.94Å; A66-T69 VanDerWaalsContact CA-OG1 3.27Å; A66-T69 WeakPolarHBondContact CA-OG1 3.21Å; A66-T69 PolarHBondContact O-N 2.89Å; A66-T69 PolarHBondContact O-OG1 3.4Å; A67-T69 VanDerWaalsContact C-N 3.34Å; A67-T69 PolarHBondContact O-N 2.85Å; T69-Y72 WeakPolarHBondContact O-CB 3.4Å; T69-Y72 PolarHBondContact O-N 3.44Å; T69-V73 WeakPolarHBondContact O-CG2 3.39Å; T69-V73 PolarHBondContact O-N 2.94Å
70	V	61.4	Low	63.1	Low	92 Å²	92	88.3 Å²	88.3	56%	0.558	48%	0.477	S	S	*	.	H	α-helix	trans	-65	-48	174	171.1	0	0	0	0	111.4	A66 A67 Y72 V73 L74	A66-V70 VanDerWaalsContact O-CG2 3.29Å; A66-V70 WeakPolarHBondContact O-CG2 3.2Å; A66-V70 PolarHBondContact O-N 3.21Å; A67-V70 PolarHBondContact O-N 3.32Å; V70-Y72 PolarHBondContact O-N 3.48Å; V70-V73 PolarHBondContact O-N 3.28Å; V70-L74 PolarHBondContact O-N 3.45Å
71	F	57.1	Low	62.1	Low	142 Å²	142	85.6 Å²	85.6	62%	0.623	46%	0.463	S	S	*	.	H	α-helix	trans	-59.9	-36.8	173.8	-81.3	-72.6	0	0	0	111.5	A67 A68 L74 E75	A67-F71 VanDerWaalsContact O-CD2 3.22Å; A67-F71 WeakPolarHBondContact O-CD2 3.42Å; A67-F71 PolarHBondContact O-N 3.36Å; A68-F71 PolarHBondContact O-N 3.35Å; F71-L74 WeakPolarHBondContact O-CB 3.47Å; F71-L74 PolarHBondContact O-N 2.92Å; F71-E75 PolarHBondContact O-N 2.84Å
72	Y	61.2	Low	61.4	Low	75 Å²	75	87.3 Å²	87.3	29%	0.294	47%	0.473	S	S	.	.	H	α-helix	trans	-69.7	-38.6	178.8	170.5	-98.4	0	0	0	114.6	A68 T69 V70 L74 E75 A78 A79	A68-Y72 WeakPolarHBondContact O-CB 3.47Å; A68-Y72 PolarHBondContact O-N 2.87Å; T69-Y72 WeakPolarHBondContact O-CB 3.4Å; T69-Y72 PolarHBondContact O-N 3.44Å; V70-Y72 PolarHBondContact O-N 3.48Å; Y72-L74 PolarHBondContact O-N 2.93Å; Y72-E75 CarbonylContact O-C 3.18Å; Y72-E75 PolarHBondContact O-N 3.27Å; Y72-A78 HydrophobicContact CD2-CB 4.47Å; Y72-A79 HydrophobicContact CE2-CB 4.15Å; Y72-A79 VanDerWaalsContact OH-CB 3.3Å; Y72-A79 WeakPolarHBondContact OH-CB 3.28Å
73	V	55.3	Low	60.4	Low	96 Å²	96	88.4 Å²	88.4	58%	0.582	48%	0.479	S	S	*	.	H	α-helix	trans	-63.6	-31.7	174.1	170.9	0	0	0	0	110.5	T69 V70	T69-V73 WeakPolarHBondContact O-CG2 3.39Å; T69-V73 PolarHBondContact O-N 2.94Å; V70-V73 PolarHBondContact O-N 3.28Å
74	L	61.1	Low	59.9	Low	136 Å²	136	91.4 Å²	91.4	71%	0.712	48%	0.483	S	S	*	.	H	α-helix	trans	-74.8	-35.4	174.1	-65.9	169.9	0	0	0	112.3	V70 F71 Y72	V70-L74 PolarHBondContact O-N 3.45Å; F71-L74 WeakPolarHBondContact O-CB 3.47Å; F71-L74 PolarHBondContact O-N 2.92Å; Y72-L74 PolarHBondContact O-N 2.93Å
75	E	53.3	Low	59.3	Low	99 Å²	99	90.9 Å²	90.9	46%	0.463	49%	0.485	S	S	.	.	S	Bend	trans	-115.7	78.7	-177.3	-68.4	-176.7	161.1	0	0	111.4	L14 F71 Y72 R77	L14-E75 WeakPolarHBondContact CD2-OE1 3.16Å; F71-E75 PolarHBondContact O-N 2.84Å; Y72-E75 CarbonylContact O-C 3.18Å; Y72-E75 PolarHBondContact O-N 3.27Å; E75-R77 PolarHBondContact O-N 3.27Å
76	H	53.6	Low	58.8	Low	157 Å²	157	89.4 Å²	89.4	73%	0.727	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	17.4	-173	-86.6	-24.4	0	0	0	120.7
77	R	52.6	Low	58.5	Low	243 Å²	243	89.6 Å²	89.6	92%	0.917	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.7	-4.9	-171.4	-72.4	-163.9	173	-131.4	-0	119.4	E75	E75-R77 PolarHBondContact O-N 3.27Å
78	A	51.6	Low	58.4	Low	38 Å²	38	93.7 Å²	93.7	31%	0.314	49%	0.492	S	S	.	.			trans	-105.3	43.6	-172.1	0	0	0	0	0	116	Y72 L80 I81	Y72-A78 HydrophobicContact CD2-CB 4.47Å; A78-L80 VanDerWaalsContact C-N 3.32Å; A78-L80 PolarHBondContact O-N 3.3Å; A78-I81 HydrophobicContact CB-CD1 4.43Å
79	A	54.7	Low	58.3	Low	55 Å²	55	93.7 Å²	93.7	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-65.8	-23.6	-166.7	0	0	0	0	0	116.2	Y72	Y72-A79 HydrophobicContact CE2-CB 4.15Å; Y72-A79 VanDerWaalsContact OH-CB 3.3Å; Y72-A79 WeakPolarHBondContact OH-CB 3.28Å
80	L	55.1	Low	58.4	Low	140 Å²	140	95.9 Å²	95.9	73%	0.733	50%	0.496	S	S	*	.	H	α-helix	trans	-86.7	-36.5	-167.9	-131	127.6	0	0	0	112.9	A78 E84	A78-L80 VanDerWaalsContact C-N 3.32Å; A78-L80 PolarHBondContact O-N 3.3Å; L80-E84 PolarHBondContact O-N 3.29Å
81	I	55.6	Low	58.8	Low	47 Å²	47	97.2 Å²	97.2	24%	0.241	50%	0.499	C	S	.	.	H	α-helix	trans	-77.6	-38.1	-170.3	-54.5	128.4	0	0	0	111.2	Y19 A78 E84 V85	Y19-I81 HydrophobicContact CE1-CD1 4.15Å; Y19-I81 HydrophobicContact CE1-CG1 4.04Å; Y19-I81 HydrophobicContact CE1-CG2 3.85Å; Y19-I81 HydrophobicContact CE2-CD1 4.01Å; Y19-I81 VanDerWaalsContact CZ-CD1 3.42Å; Y19-I81 WeakPolarHBondContact OH-CD1 3.46Å; Y19-I81 WeakPolarHBondContact OH-CG1 3.22Å; A78-I81 HydrophobicContact CB-CD1 4.43Å; I81-E84 PolarHBondContact O-N 3.37Å; I81-V85 HydrophobicContact CG2-CG2 4.33Å; I81-V85 WeakPolarHBondContact O-CB 3.46Å; I81-V85 VanDerWaalsContact O-CG2 3.27Å; I81-V85 WeakPolarHBondContact O-CG2 3.24Å; I81-V85 PolarHBondContact O-N 2.99Å
82	T	58.6	Low	59.4	Low	51 Å²	51	93.6 Å²	93.6	31%	0.313	48%	0.483	S	S	.	.	H	α-helix	trans	-70.7	-36.3	-178.6	54.3	0	0	0	0	112	E84 A86	T82-E84 VanDerWaalsContact C-N 3.35Å; T82-A86 WeakPolarHBondContact O-CB 3.49Å; T82-A86 PolarHBondContact O-N 3.48Å
83	L	55.6	Low	59.5	Low	130 Å²	130	91.8 Å²	91.8	68%	0.681	48%	0.479	S	S	*	.	H	α-helix	trans	-66.1	-40.5	174.8	-171.1	69.4	0	0	0	110.9	A86 A87	L83-A86 PolarHBondContact O-N 3.41Å; L83-A87 VanDerWaalsContact O-CB 3.22Å; L83-A87 WeakPolarHBondContact O-CB 3.22Å; L83-A87 PolarHBondContact O-N 3.29Å
84	E	59.6	Low	60.2	Low	119 Å²	119	90.3 Å²	90.3	56%	0.556	47%	0.47	S	S	*	.	H	α-helix	trans	-64.8	-48.1	176.2	-166.8	170.4	-168.8	0	0	111.2	L80 I81 T82 A86 A87 E88	L80-E84 PolarHBondContact O-N 3.29Å; I81-E84 PolarHBondContact O-N 3.37Å; T82-E84 VanDerWaalsContact C-N 3.35Å; E84-A86 PolarHBondContact O-N 2.92Å; E84-A87 PolarHBondContact O-N 3.4Å; E84-E88 WeakPolarHBondContact O-CB 3.45Å; E84-E88 VanDerWaalsContact O-CG 3.3Å; E84-E88 WeakPolarHBondContact O-CG 3.46Å; E84-E88 PolarHBondContact O-N 3.36Å
85	V	61.7	Low	60.4	Low	49 Å²	49	90.6 Å²	90.6	30%	0.297	46%	0.463	S	S	.	.	H	α-helix	trans	-62.9	-41.7	176.2	173.8	0	0	0	0	111.6	V22 I81 L89	V22-V85 HydrophobicContact CG1-CG2 4.13Å; I81-V85 HydrophobicContact CG2-CG2 4.33Å; I81-V85 WeakPolarHBondContact O-CB 3.46Å; I81-V85 VanDerWaalsContact O-CG2 3.27Å; I81-V85 WeakPolarHBondContact O-CG2 3.24Å; I81-V85 PolarHBondContact O-N 2.99Å; V85-L89 WeakPolarHBondContact O-CB 3.25Å; V85-L89 PolarHBondContact O-N 2.91Å
86	A	62	Low	60.7	Low	23 Å²	23	86.9 Å²	86.9	19%	0.19	45%	0.445	C	S	.	.	H	α-helix	trans	-64.8	-40.8	176.8	0	0	0	0	0	111.6	T82 L83 E84 L89 I90	T82-A86 WeakPolarHBondContact O-CB 3.49Å; T82-A86 PolarHBondContact O-N 3.48Å; L83-A86 PolarHBondContact O-N 3.41Å; E84-A86 PolarHBondContact O-N 2.92Å; A86-L89 PolarHBondContact O-N 3.1Å; A86-I90 WeakPolarHBondContact O-CB 3.11Å; A86-I90 WeakPolarHBondContact O-CD1 3.3Å; A86-I90 WeakPolarHBondContact O-CG1 3.37Å; A86-I90 PolarHBondContact O-N 2.98Å
87	A	62.9	Low	61.2	Low	54 Å²	54	83.1 Å²	83.1	45%	0.446	43%	0.43	S	S	.	.	H	α-helix	trans	-66	-48	177.2	0	0	0	0	0	111.8	L83 E84 L89 I90 L91	L83-A87 VanDerWaalsContact O-CB 3.22Å; L83-A87 WeakPolarHBondContact O-CB 3.22Å; L83-A87 PolarHBondContact O-N 3.29Å; E84-A87 PolarHBondContact O-N 3.4Å; A87-L89 PolarHBondContact O-N 3.49Å; A87-I90 PolarHBondContact O-N 3.17Å; A87-L91 VanDerWaalsContact O-CB 3.28Å; A87-L91 WeakPolarHBondContact O-CB 3.21Å; A87-L91 PolarHBondContact O-N 3.19Å
88	E	65.2	Low	61.9	Low	128 Å²	128	77.5 Å²	77.5	60%	0.598	41%	0.414	S	S	*	.	H	α-helix	trans	-54.7	-42.8	173.8	-76.6	-70.7	151.6	0	0	110.6	E84 L91 F92	E84-E88 WeakPolarHBondContact O-CB 3.45Å; E84-E88 VanDerWaalsContact O-CG 3.3Å; E84-E88 WeakPolarHBondContact O-CG 3.46Å; E84-E88 PolarHBondContact O-N 3.36Å; E88-L91 PolarHBondContact O-N 2.85Å; E88-F92 VanDerWaalsContact O-CB 3.22Å; E88-F92 WeakPolarHBondContact O-CB 3.22Å; E88-F92 PolarHBondContact O-N 3.35Å
89	L	61.8	Low	62.3	Low	29 Å²	29	77.6 Å²	77.6	15%	0.152	41%	0.411	C	S	.	.	H	α-helix	trans	-75.4	-35.3	-176.8	-156.6	131.8	0	0	0	112.9	L29 S61 V85 A86 A87 L91 L93	L29-L89 HydrophobicContact CD1-CD1 3.77Å; S61-L89 WeakPolarHBondContact OG-CD2 3.5Å; V85-L89 WeakPolarHBondContact O-CB 3.25Å; V85-L89 PolarHBondContact O-N 2.91Å; A86-L89 PolarHBondContact O-N 3.1Å; A87-L89 PolarHBondContact O-N 3.49Å; L89-L91 VanDerWaalsContact C-N 3.35Å; L89-L93 WeakPolarHBondContact O-CB 3.39Å; L89-L93 PolarHBondContact O-N 2.97Å
90	I	66.8	Low	62.3	Low	110 Å²	110	77.3 Å²	77.3	56%	0.564	40%	0.401	S	S	*	.	H	α-helix	trans	-64.7	-41.9	170.1	-71.1	164.2	0	0	0	110.5	A86 A87 L93 T94	A86-I90 WeakPolarHBondContact O-CB 3.11Å; A86-I90 WeakPolarHBondContact O-CD1 3.3Å; A86-I90 WeakPolarHBondContact O-CG1 3.37Å; A86-I90 PolarHBondContact O-N 2.98Å; A87-I90 PolarHBondContact O-N 3.17Å; I90-L93 PolarHBondContact O-N 3.4Å; I90-T94 WeakPolarHBondContact O-CB 3.26Å; I90-T94 PolarHBondContact O-N 2.84Å; I90-T94 PolarHBondContact O-OG1 2.89Å
91	L	69.2	Low	62.3	Low	120 Å²	120	80.5 Å²	80.5	63%	0.628	40%	0.403	S	S	*	.	H	α-helix	trans	-66.8	-43.4	-179.7	-162.8	144.9	0	0	0	110.5	A87 E88 L89 L93 T94 Y95	A87-L91 VanDerWaalsContact O-CB 3.28Å; A87-L91 WeakPolarHBondContact O-CB 3.21Å; A87-L91 PolarHBondContact O-N 3.19Å; E88-L91 PolarHBondContact O-N 2.85Å; L89-L91 VanDerWaalsContact C-N 3.35Å; L91-L93 PolarHBondContact O-N 2.89Å; L91-T94 PolarHBondContact O-N 3.49Å; L91-Y95 WeakPolarHBondContact O-CB 3.1Å; L91-Y95 PolarHBondContact O-N 3.49Å
92	F	69.4	Low	62.3	Low	66 Å²	66	82.3 Å²	82.3	29%	0.289	43%	0.426	S	S	.	.	H	α-helix	trans	-57.7	-47	171.5	-173.4	-101.8	0	0	0	112	T33 F57 E88 T94 Y95 H96	T33-F92 HydrophobicContact CG2-CE1 3.78Å; T33-F92 HydrophobicContact CG2-CE2 4.4Å; T33-F92 HydrophobicContact CG2-CZ 3.36Å; T33-F92 VanDerWaalsContact OG1-CE1 3.29Å; T33-F92 WeakPolarHBondContact OG1-CE1 3.11Å; T33-F92 VanDerWaalsContact OG1-CZ 3.28Å; T33-F92 WeakPolarHBondContact OG1-CZ 3.3Å; F57-F92 HydrophobicContact CE1-CD1 4.44Å; F57-F92 HydrophobicContact CE1-CE1 4.28Å; F57-F92 HydrophobicContact CZ-CE1 4.09Å; E88-F92 VanDerWaalsContact O-CB 3.22Å; E88-F92 WeakPolarHBondContact O-CB 3.22Å; E88-F92 PolarHBondContact O-N 3.35Å; F92-T94 VanDerWaalsContact C-N 3.33Å; F92-T94 PolarHBondContact O-N 2.83Å; F92-Y95 PolarHBondContact O-N 2.83Å; F92-H96 AromaticContact CD1-CD2 3.54Å; F92-H96 AromaticContact CD1-NE2 3.99Å; F92-H96 AromaticContact CD2-CD2 3.97Å; F92-H96 AromaticContact CD2-NE2 3.76Å; F92-H96 AromaticContact CE1-CD2 3.32Å; F92-H96 WeakPolarHBondContact CE1-CD2 3.27Å; F92-H96 AromaticContact CE1-NE2 3.45Å; F92-H96 WeakPolarHBondContact CE1-NE2 3.5Å; F92-H96 AromaticContact CE2-CD2 3.78Å; F92-H96 AromaticContact CE2-NE2 3.18Å; F92-H96 WeakPolarHBondContact CE2-NE2 3.34Å; F92-H96 AromaticContact CG-CD2 3.88Å; F92-H96 AromaticContact CZ-CD2 3.47Å; F92-H96 VanDerWaalsContact CZ-CD2 3.47Å; F92-H96 WeakPolarHBondContact CZ-CD2 3.29Å; F92-H96 AromaticContact CZ-NE2 3.03Å; F92-H96 WeakPolarHBondContact CZ-NE2 3.15Å; F92-H96 PolarHBondContact O-CD2 3.18Å; F92-H96 PolarHBondContact O-N 3.46Å
93	L	64.1	Low	62	Low	37 Å²	37	85.9 Å²	85.9	19%	0.194	45%	0.447	C	S	.	.	H	α-helix	trans	-62.5	-42.3	177.9	-150.6	93.6	0	0	0	111.9	F57 V58 L89 I90 L91 H96 L97	F57-L93 HydrophobicContact CD1-CD1 4.19Å; F57-L93 HydrophobicContact CE1-CD1 4.33Å; V58-L93 HydrophobicContact CG2-CD1 3.61Å; V58-L93 HydrophobicContact CG2-CD2 3.84Å; V58-L93 HydrophobicContact CG2-CG 4.2Å; L89-L93 WeakPolarHBondContact O-CB 3.39Å; L89-L93 PolarHBondContact O-N 2.97Å; I90-L93 PolarHBondContact O-N 3.4Å; L91-L93 PolarHBondContact O-N 2.89Å; L93-H96 PolarHBondContact O-N 3.42Å; L93-L97 HydrophobicContact CD2-CD1 4.05Å; L93-L97 HydrophobicContact CG-CD1 4.42Å; L93-L97 WeakPolarHBondContact O-CB 2.88Å; L93-L97 WeakPolarHBondContact O-CG 3.34Å; L93-L97 PolarHBondContact O-N 3.31Å
94	T	68.8	Low	61.4	Low	65 Å²	65	87.4 Å²	87.4	40%	0.399	47%	0.467	S	S	.	.	H	α-helix	trans	-64.3	-43.8	179.2	-55.9	0	0	0	0	110.6	I90 L91 F92 H96 L97 Q98	I90-T94 WeakPolarHBondContact O-CB 3.26Å; I90-T94 PolarHBondContact O-N 2.84Å; I90-T94 PolarHBondContact O-OG1 2.89Å; L91-T94 PolarHBondContact O-N 3.49Å; F92-T94 VanDerWaalsContact C-N 3.33Å; F92-T94 PolarHBondContact O-N 2.83Å; T94-H96 VanDerWaalsContact C-N 3.34Å; T94-H96 PolarHBondContact O-N 3.22Å; T94-L97 PolarHBondContact O-N 3.31Å; T94-Q98 WeakPolarHBondContact O-CB 3.23Å; T94-Q98 WeakPolarHBondContact O-CG 3.48Å; T94-Q98 PolarHBondContact O-N 3.23Å
95	Y	66.4	Low	61.5	Low	143 Å²	143	85.9 Å²	85.9	56%	0.561	46%	0.463	S	S	*	.	H	α-helix	trans	-60.1	-44.5	175.9	-178.8	-101.6	0	0	0	111.4	L91 F92 Q98 T99	L91-Y95 WeakPolarHBondContact O-CB 3.1Å; L91-Y95 PolarHBondContact O-N 3.49Å; F92-Y95 PolarHBondContact O-N 2.83Å; Y95-Q98 PolarHBondContact O-N 2.84Å; Y95-T99 WeakPolarHBondContact O-CB 3.43Å; Y95-T99 PolarHBondContact O-N 3.08Å; Y95-T99 PolarHBondContact O-OG1 2.7Å
96	H	59.6	Low	61.5	Low	21 Å²	21	87.8 Å²	87.8	10%	0.097	47%	0.471	C	S	.	.	H	α-helix	trans	-68	-42.4	178.4	-77.6	-51	0	0	0	113.5	T33 F37 F92 L93 T94 Q98 T99 I100	T33-H96 WeakPolarHBondContact CG2-NE2 3.25Å; F37-H96 AromaticContact CD2-CE1 3.91Å; F37-H96 AromaticContact CE2-CE1 3Å; F37-H96 WeakPolarHBondContact CE2-CE1 3.25Å; F37-H96 AromaticContact CE2-ND1 2.96Å; F37-H96 WeakPolarHBondContact CE2-ND1 3.4Å; F37-H96 AromaticContact CZ-CE1 3.36Å; F37-H96 WeakPolarHBondContact CZ-CE1 3.23Å; F37-H96 AromaticContact CZ-ND1 3.15Å; F37-H96 WeakPolarHBondContact CZ-ND1 3.47Å; F92-H96 AromaticContact CD1-CD2 3.54Å; F92-H96 AromaticContact CD1-NE2 3.99Å; F92-H96 AromaticContact CD2-CD2 3.97Å; F92-H96 AromaticContact CD2-NE2 3.76Å; F92-H96 AromaticContact CE1-CD2 3.32Å; F92-H96 WeakPolarHBondContact CE1-CD2 3.27Å; F92-H96 AromaticContact CE1-NE2 3.45Å; F92-H96 WeakPolarHBondContact CE1-NE2 3.5Å; F92-H96 AromaticContact CE2-CD2 3.78Å; F92-H96 AromaticContact CE2-NE2 3.18Å; F92-H96 WeakPolarHBondContact CE2-NE2 3.34Å; F92-H96 AromaticContact CG-CD2 3.88Å; F92-H96 AromaticContact CZ-CD2 3.47Å; F92-H96 VanDerWaalsContact CZ-CD2 3.47Å; F92-H96 WeakPolarHBondContact CZ-CD2 3.29Å; F92-H96 AromaticContact CZ-NE2 3.03Å; F92-H96 WeakPolarHBondContact CZ-NE2 3.15Å; F92-H96 PolarHBondContact O-CD2 3.18Å; F92-H96 PolarHBondContact O-N 3.46Å; L93-H96 PolarHBondContact O-N 3.42Å; T94-H96 VanDerWaalsContact C-N 3.34Å; T94-H96 PolarHBondContact O-N 3.22Å; H96-Q98 VanDerWaalsContact C-N 3.31Å; H96-Q98 PolarHBondContact O-N 2.94Å; H96-T99 PolarHBondContact O-N 3.06Å; H96-I100 WeakPolarHBondContact O-CD1 3.28Å; H96-I100 VanDerWaalsContact O-CG1 3.24Å; H96-I100 WeakPolarHBondContact O-CG1 3.44Å; H96-I100 PolarHBondContact O-N 3.49Å
97	L	64	Low	61.5	Low	78 Å²	78	91.4 Å²	91.4	41%	0.408	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-39.2	174.2	-77.4	167.7	0	0	0	112.1	L54 L93 T94 R101	L54-L97 HydrophobicContact CD2-CD2 4.18Å; L93-L97 HydrophobicContact CD2-CD1 4.05Å; L93-L97 HydrophobicContact CG-CD1 4.42Å; L93-L97 WeakPolarHBondContact O-CB 2.88Å; L93-L97 WeakPolarHBondContact O-CG 3.34Å; L93-L97 PolarHBondContact O-N 3.31Å; T94-L97 PolarHBondContact O-N 3.31Å; L97-R101 WeakPolarHBondContact O-CB 3.44Å; L97-R101 WeakPolarHBondContact O-CG 3.13Å; L97-R101 PolarHBondContact O-N 2.73Å
98	Q	68.2	Low	61.4	Low	124 Å²	124	93.6 Å²	93.6	58%	0.579	49%	0.489	S	S	*	.	H	α-helix	trans	-65.9	-43.6	174.5	-76.6	-179.2	-11.5	0	0	112	T94 Y95 H96 I100 R101 A102	T94-Q98 WeakPolarHBondContact O-CB 3.23Å; T94-Q98 WeakPolarHBondContact O-CG 3.48Å; T94-Q98 PolarHBondContact O-N 3.23Å; Y95-Q98 PolarHBondContact O-N 2.84Å; H96-Q98 VanDerWaalsContact C-N 3.31Å; H96-Q98 PolarHBondContact O-N 2.94Å; Q98-I100 VanDerWaalsContact C-N 3.29Å; Q98-I100 PolarHBondContact O-N 3Å; Q98-R101 PolarHBondContact O-N 2.89Å; Q98-A102 WeakPolarHBondContact O-CB 3.43Å; Q98-A102 PolarHBondContact O-N 3.05Å
99	T	59.7	Low	61.1	Low	41 Å²	41	91.4 Å²	91.4	25%	0.252	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-40.9	179	-48.9	0	0	0	0	110.8	F37 Y95 H96 A102 V103	F37-T99 HydrophobicContact CE1-CG2 4.22Å; F37-T99 HydrophobicContact CZ-CG2 4.25Å; Y95-T99 WeakPolarHBondContact O-CB 3.43Å; Y95-T99 PolarHBondContact O-N 3.08Å; Y95-T99 PolarHBondContact O-OG1 2.7Å; H96-T99 PolarHBondContact O-N 3.06Å; T99-A102 PolarHBondContact O-N 2.71Å; T99-V103 WeakPolarHBondContact O-CG2 3.48Å; T99-V103 PolarHBondContact O-N 2.78Å
100	I	54.8	Low	61.1	Low	48 Å²	48	95.6 Å²	95.6	25%	0.246	51%	0.505	C	S	.	.	H	α-helix	trans	-66.4	-45.4	176.3	-64.8	159.8	0	0	0	110.9	F50 L54 H96 Q98 A102 V103 C104	F50-I100 HydrophobicContact CD1-CD1 4.5Å; F50-I100 HydrophobicContact CE1-CD1 3.83Å; F50-I100 HydrophobicContact CE1-CG1 4.15Å; L54-I100 HydrophobicContact CD1-CD1 3.3Å; H96-I100 WeakPolarHBondContact O-CD1 3.28Å; H96-I100 VanDerWaalsContact O-CG1 3.24Å; H96-I100 WeakPolarHBondContact O-CG1 3.44Å; H96-I100 PolarHBondContact O-N 3.49Å; Q98-I100 VanDerWaalsContact C-N 3.29Å; Q98-I100 PolarHBondContact O-N 3Å; I100-A102 PolarHBondContact O-N 2.8Å; I100-V103 PolarHBondContact O-N 2.77Å; I100-C104 PolarHBondContact O-N 2.86Å
101	R	54.5	Low	60.7	Low	207 Å²	207	94.6 Å²	94.6	78%	0.781	50%	0.5	S	S	*	.	H	α-helix	trans	-62.1	-26.3	176.6	-79.7	-174.7	178.2	-179.5	1.1	113.6	L97 Q98 V103	L97-R101 WeakPolarHBondContact O-CB 3.44Å; L97-R101 WeakPolarHBondContact O-CG 3.13Å; L97-R101 PolarHBondContact O-N 2.73Å; Q98-R101 PolarHBondContact O-N 2.89Å; R101-V103 VanDerWaalsContact C-N 3.31Å
102	A	55.2	Low	60	Low	86 Å²	86	92.6 Å²	92.6	71%	0.711	49%	0.49	S	S	*	.	H	α-helix	trans	-78.7	-16.8	175.7	0	0	0	0	0	113.1	Q98 T99 I100	Q98-A102 WeakPolarHBondContact O-CB 3.43Å; Q98-A102 PolarHBondContact O-N 3.05Å; T99-A102 PolarHBondContact O-N 2.71Å; I100-A102 PolarHBondContact O-N 2.8Å
103	V	52.1	Low	59.3	Low	126 Å²	126	94.8 Å²	94.8	76%	0.764	51%	0.507	S	S	*	.	H	α-helix	trans	-95.8	-26.1	-179.3	174.8	0	0	0	0	112.3	T99 I100 R101	T99-V103 WeakPolarHBondContact O-CG2 3.48Å; T99-V103 PolarHBondContact O-N 2.78Å; I100-V103 PolarHBondContact O-N 2.77Å; R101-V103 VanDerWaalsContact C-N 3.31Å
104	C	43.8	Very low	58.8	Low	162 Å²	162	100.1 Å²	100.1	100%	1.095	54%	0.536	S	S	*	.			trans	-81.2	0	170.5	-72.2	0	0	0	0	112.1	I100	I100-C104 PolarHBondContact O-N 2.86Å

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