A0A5K4EFV2_SCHMA Loading...

V-type proton ATPase proteolipid subunit

Proton-conducting pore forming of the V0 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment.

AlphaFold DB , UniProt , Accession A0A5K4EFV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 103 aa.

						>A0A5K4EFV2_SCHMA|A0A5K4EFV2
MKTIIPVVMAGIIAIYGLVVSVLIAQRIDDNYTLFMSINDLGAGLSVGFSGLAAGYAIGKVGDAGVRATSKQPRMFVGMVLILIFAEVLGLYGLIVALIMSTK
					

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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	65	Low	85.8	Confident	208 Å²	208	81.1 Å²	81.1	100%	1.025	46%	0.457	S	S	*	.				0	-43.7	0	-64.8	-173.3	-167.5	0	0	113.4	T3 I4	M1-T3 PolarHBondContact O-N 3.43Å; M1-T3 VanDerWaalsContact O-N 3.14Å; M1-I4 PolarHBondContact O-N 3.03Å
2	K	75.4	Confident	86.4	Confident	146 Å²	146	78.7 Å²	78.7	64%	0.635	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-57	-29.6	-177.7	-64.9	-174.2	-179.4	-177.6	0	115.2	I4 F76	K2-I4 VanDerWaalsContact C-N 3.26Å; K2-I4 PolarHBondContact O-N 3.2Å; K2-F76 HydrophobicContact CB-CD2 4.33Å; K2-F76 HydrophobicContact CB-CE2 3.75Å; K2-F76 HydrophobicContact CB-CZ 3.98Å; K2-F76 HydrophobicContact CG-CZ 4.33Å; K2-F76 WeakPolarHBondContact O-CE2 3.48Å
3	T	77.5	Confident	86.8	Confident	79 Å²	79	73.9 Å²	73.9	49%	0.485	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-77.9	-1.4	-176.1	49.5	0	0	0	0	115.2	M1 P6 V66	M1-T3 PolarHBondContact O-N 3.43Å; M1-T3 VanDerWaalsContact O-N 3.14Å; T3-P6 WeakPolarHBondContact O-CD 3.37Å; T3-V66 HydrophobicContact CG2-CB 4.39Å; T3-V66 HydrophobicContact CG2-CG1 4.25Å
4	I	90.2	Very high	87.3	Confident	94 Å²	94	73.6 Å²	73.6	48%	0.482	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-83.2	-15.7	-178	-64	169.7	0	0	0	111.9	M1 K2 V7 V8	M1-I4 PolarHBondContact O-N 3.03Å; K2-I4 VanDerWaalsContact C-N 3.26Å; K2-I4 PolarHBondContact O-N 3.2Å; I4-V7 WeakPolarHBondContact O-CB 3.39Å; I4-V7 PolarHBondContact O-N 3.07Å; I4-V8 HydrophobicContact CG2-CG2 3.82Å; I4-V8 PolarHBondContact O-N 3.45Å; I4-V8 VanDerWaalsContact O-N 3.11Å
5	I	89.3	Confident	87.8	Confident	55 Å²	55	75 Å²	75	28%	0.282	43%	0.429	S	S	.	.	H	α-helix	trans	-54.4	-47.1	-175.2	-64.6	-176.5	0	0	0	113.8	V7 V8 M9 F76 V80 L83	I5-V7 PolarHBondContact O-N 3.03Å; I5-V8 PolarHBondContact O-N 3.35Å; I5-M9 HydrophobicContact CG2-CE 4.3Å; I5-M9 HydrophobicContact CG2-CG 4.25Å; I5-M9 HydrophobicContact CG2-SD 3.72Å; I5-M9 WeakPolarHBondContact O-CG 3.33Å; I5-M9 PolarHBondContact O-N 3.25Å; I5-F76 HydrophobicContact CD1-CE1 4.42Å; I5-F76 HydrophobicContact CD1-CE2 3.95Å; I5-F76 HydrophobicContact CD1-CZ 3.42Å; I5-F76 VanDerWaalsContact CD1-CZ 3.42Å; I5-V80 HydrophobicContact CD1-CG2 4.25Å; I5-L83 HydrophobicContact CG2-CD1 4.42Å
6	P	89.4	Confident	88.1	Confident	12 Å²	12	72.4 Å²	72.4	8%	0.078	41%	0.411	C	S	.	.	H	α-helix	trans	-59.8	-34	178.8	-21.2	31.6	0	0	0	113	T3 A10 V66 L83	T3-P6 WeakPolarHBondContact O-CD 3.37Å; P6-A10 PolarHBondContact O-N 3.44Å; P6-V66 HydrophobicContact CG-CG1 4.22Å; P6-L83 HydrophobicContact CB-CD1 4.34Å; P6-L83 HydrophobicContact CG-CD1 3.95Å
7	V	92	Very high	88.4	Confident	106 Å²	106	69.9 Å²	69.9	64%	0.642	41%	0.405	S	S	*	.	H	α-helix	trans	-70.6	-42.3	178.9	-176.8	0	0	0	0	110.7	I4 I5 A10 G11	I4-V7 WeakPolarHBondContact O-CB 3.39Å; I4-V7 PolarHBondContact O-N 3.07Å; I5-V7 PolarHBondContact O-N 3.03Å; V7-A10 PolarHBondContact O-N 3.37Å; V7-G11 PolarHBondContact O-N 3.38Å
8	V	92.5	Very high	88.8	Confident	86 Å²	86	71.9 Å²	71.9	52%	0.521	41%	0.413	S	S	.	.	H	α-helix	trans	-64.3	-43	176.4	175.5	0	0	0	0	110.7	I4 I5 A10 G11 I12	I4-V8 HydrophobicContact CG2-CG2 3.82Å; I4-V8 PolarHBondContact O-N 3.45Å; I4-V8 VanDerWaalsContact O-N 3.11Å; I5-V8 PolarHBondContact O-N 3.35Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 3.07Å; V8-G11 WeakPolarHBondContact O-CA 3.39Å; V8-G11 PolarHBondContact O-N 3.36Å; V8-I12 PolarHBondContact O-N 2.97Å
9	M	89.1	Confident	89	Confident	22 Å²	22	71.5 Å²	71.5	11%	0.108	41%	0.412	C	S	.	.	H	α-helix	trans	-64.4	-36.1	177.9	-72.7	177.2	146.4	0	0	112.8	I5 G11 I12 I58 L83 I84	I5-M9 HydrophobicContact CG2-CE 4.3Å; I5-M9 HydrophobicContact CG2-CG 4.25Å; I5-M9 HydrophobicContact CG2-SD 3.72Å; I5-M9 WeakPolarHBondContact O-CG 3.33Å; I5-M9 PolarHBondContact O-N 3.25Å; M9-G11 VanDerWaalsContact C-N 3.25Å; M9-G11 PolarHBondContact O-N 3.06Å; M9-I12 PolarHBondContact O-N 3.34Å; M9-I58 HydrophobicContact CB-CD1 4.2Å; M9-L83 HydrophobicContact CE-CB 4.37Å; M9-L83 HydrophobicContact SD-CB 3.55Å; M9-L83 VanDerWaalsContact SD-CB 3.55Å; M9-L83 HydrophobicContact SD-CD1 4.01Å; M9-L83 HydrophobicContact SD-CG 4.31Å; M9-I84 HydrophobicContact CE-CG1 4.1Å
10	A	91	Very high	89.2	Confident	47 Å²	47	68.3 Å²	68.3	39%	0.388	39%	0.394	S	S	.	.	H	α-helix	trans	-62.1	-34.7	170.9	0	0	0	0	0	112.2	P6 V7 V8 I13 I58	P6-A10 PolarHBondContact O-N 3.44Å; V7-A10 PolarHBondContact O-N 3.37Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 3.07Å; A10-I13 PolarHBondContact O-N 2.86Å; A10-I58 HydrophobicContact CB-CG2 4.41Å
11	G	92.5	Very high	89.4	Confident	37 Å²	37	68.1 Å²	68.1	38%	0.381	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-34.8	175	0	0	0	0	0	113.7	V7 V8 M9 I13 A14 I15	V7-G11 PolarHBondContact O-N 3.38Å; V8-G11 WeakPolarHBondContact O-CA 3.39Å; V8-G11 PolarHBondContact O-N 3.36Å; M9-G11 VanDerWaalsContact C-N 3.25Å; M9-G11 PolarHBondContact O-N 3.06Å; G11-I13 VanDerWaalsContact C-N 3.32Å; G11-I13 PolarHBondContact O-N 2.73Å; G11-A14 WeakPolarHBondContact O-CB 3.31Å; G11-A14 PolarHBondContact O-N 3.49Å; G11-I15 PolarHBondContact O-N 3.13Å
12	I	92.8	Very high	90.8	Very high	52 Å²	52	61.5 Å²	61.5	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-39	178.8	-61.4	172.3	0	0	0	111	V8 M9 A14 I15 Y16	V8-I12 PolarHBondContact O-N 2.97Å; M9-I12 PolarHBondContact O-N 3.34Å; I12-A14 VanDerWaalsContact C-N 3.28Å; I12-A14 PolarHBondContact O-N 3.16Å; I12-I15 WeakPolarHBondContact O-CB 3.31Å; I12-I15 PolarHBondContact O-N 3.47Å; I12-Y16 HydrophobicContact CG2-CE1 3.83Å; I12-Y16 HydrophobicContact CG2-CE2 4.04Å; I12-Y16 VanDerWaalsContact CG2-CZ 3.44Å; I12-Y16 WeakPolarHBondContact CG2-OH 3.39Å; I12-Y16 PolarHBondContact O-N 2.9Å
13	I	92	Very high	91.5	Very high	17 Å²	17	57.3 Å²	57.3	9%	0.087	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-38.5	177.2	-63.2	174.5	0	0	0	111.5	A10 G11 I15 Y16 G17 A54 I58	A10-I13 PolarHBondContact O-N 2.86Å; G11-I13 VanDerWaalsContact C-N 3.32Å; G11-I13 PolarHBondContact O-N 2.73Å; I13-I15 VanDerWaalsContact C-N 3.25Å; I13-I15 PolarHBondContact O-N 3.28Å; I13-Y16 WeakPolarHBondContact O-CB 3.39Å; I13-Y16 PolarHBondContact O-N 3.01Å; I13-G17 PolarHBondContact O-N 3.35Å; I13-A54 HydrophobicContact CD1-CB 3.63Å; I13-I58 HydrophobicContact CD1-CD1 3.51Å; I13-I58 HydrophobicContact CG1-CD1 4.41Å
14	A	93.5	Very high	92.1	Very high	69 Å²	69	54.9 Å²	54.9	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-63.6	-33.8	176.8	0	0	0	0	0	112	G11 I12 Y16 G17 L18	G11-A14 WeakPolarHBondContact O-CB 3.31Å; G11-A14 PolarHBondContact O-N 3.49Å; I12-A14 VanDerWaalsContact C-N 3.28Å; I12-A14 PolarHBondContact O-N 3.16Å; A14-Y16 VanDerWaalsContact C-N 3.34Å; A14-G17 PolarHBondContact O-N 3.23Å; A14-L18 PolarHBondContact O-N 3.12Å
15	I	94.6	Very high	92.1	Very high	95 Å²	95	53.4 Å²	53.4	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-65.7	-38	175.7	-60.2	171.4	0	0	0	110.6	G11 I12 I13 G17 L18 V19	G11-I15 PolarHBondContact O-N 3.13Å; I12-I15 WeakPolarHBondContact O-CB 3.31Å; I12-I15 PolarHBondContact O-N 3.47Å; I13-I15 VanDerWaalsContact C-N 3.25Å; I13-I15 PolarHBondContact O-N 3.28Å; I15-G17 VanDerWaalsContact C-N 3.34Å; I15-G17 PolarHBondContact O-N 3.14Å; I15-L18 PolarHBondContact O-N 3.3Å; I15-V19 HydrophobicContact CG2-CG2 4.17Å; I15-V19 VanDerWaalsContact O-CG2 3.29Å; I15-V19 WeakPolarHBondContact O-CG2 3.36Å; I15-V19 PolarHBondContact O-N 2.99Å
16	Y	93.3	Very high	92.1	Very high	33 Å²	33	58 Å²	58	13%	0.129	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-44.2	175.9	-57.4	-27.4	0	0	0	112.1	I12 I13 A14 V19 V20 E87 L91 L94	I12-Y16 HydrophobicContact CG2-CE1 3.83Å; I12-Y16 HydrophobicContact CG2-CE2 4.04Å; I12-Y16 VanDerWaalsContact CG2-CZ 3.44Å; I12-Y16 WeakPolarHBondContact CG2-OH 3.39Å; I12-Y16 PolarHBondContact O-N 2.9Å; I13-Y16 WeakPolarHBondContact O-CB 3.39Å; I13-Y16 PolarHBondContact O-N 3.01Å; A14-Y16 VanDerWaalsContact C-N 3.34Å; Y16-V19 PolarHBondContact O-N 3.31Å; Y16-V20 PolarHBondContact O-N 3.47Å; Y16-E87 PolarHBondContact OH-OE1 2.89Å; Y16-L91 HydrophobicContact CE1-CD2 3.84Å; Y16-L91 HydrophobicContact CE2-CD2 3.76Å; Y16-L91 HydrophobicContact CE2-CG 3.9Å; Y16-L91 VanDerWaalsContact OH-CD2 3.24Å; Y16-L91 WeakPolarHBondContact OH-CD2 3.44Å; Y16-L94 HydrophobicContact CD1-CD2 3.58Å; Y16-L94 HydrophobicContact CE1-CD2 4.09Å; Y16-L94 HydrophobicContact CG-CD2 3.94Å
17	G	93.2	Very high	91.8	Very high	31 Å²	31	60.6 Å²	60.6	32%	0.32	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-41.8	174.6	0	0	0	0	0	112.6	I13 A14 I15 V20 S21	I13-G17 PolarHBondContact O-N 3.35Å; A14-G17 PolarHBondContact O-N 3.23Å; I15-G17 VanDerWaalsContact C-N 3.34Å; I15-G17 PolarHBondContact O-N 3.14Å; G17-V20 PolarHBondContact O-N 2.95Å; G17-S21 WeakPolarHBondContact O-CB 3.33Å; G17-S21 PolarHBondContact O-N 3.4Å; G17-S21 PolarHBondContact O-OG 3.33Å
18	L	95	Very high	91.5	Very high	105 Å²	105	60.7 Å²	60.7	55%	0.55	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-42.6	176.9	-179.3	64.8	0	0	0	112.4	A14 I15 V20 S21 V22	A14-L18 PolarHBondContact O-N 3.12Å; I15-L18 PolarHBondContact O-N 3.3Å; L18-V20 VanDerWaalsContact C-N 3.35Å; L18-V20 PolarHBondContact O-N 3.44Å; L18-S21 WeakPolarHBondContact CA-OG 3.2Å; L18-S21 PolarHBondContact O-N 3.49Å; L18-S21 PolarHBondContact O-OG 2.77Å; L18-V22 HydrophobicContact CD1-CG2 4.13Å; L18-V22 HydrophobicContact CG-CG2 4.44Å; L18-V22 WeakPolarHBondContact O-CB 3.42Å; L18-V22 VanDerWaalsContact O-CG2 3.27Å; L18-V22 WeakPolarHBondContact O-CG2 3.49Å; L18-V22 PolarHBondContact O-N 2.93Å
19	V	93.7	Very high	91.2	Very high	65 Å²	65	61.7 Å²	61.7	39%	0.394	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-46.1	179	169	0	0	0	0	110.3	I15 Y16 V22 L23	I15-V19 HydrophobicContact CG2-CG2 4.17Å; I15-V19 VanDerWaalsContact O-CG2 3.29Å; I15-V19 WeakPolarHBondContact O-CG2 3.36Å; I15-V19 PolarHBondContact O-N 2.99Å; Y16-V19 PolarHBondContact O-N 3.31Å; V19-V22 PolarHBondContact O-N 3.37Å; V19-L23 HydrophobicContact CG1-CD1 4.03Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 3.5Å
20	V	92.2	Very high	90.7	Very high	7 Å²	7	68.4 Å²	68.4	4%	0.042	40%	0.401	C	S	.	.	H	α-helix	trans	-68.7	-38.7	179	175.1	0	0	0	0	112.2	Y16 G17 L18 V22 L23 I24 V47 L94 A97	Y16-V20 PolarHBondContact O-N 3.47Å; G17-V20 PolarHBondContact O-N 2.95Å; L18-V20 VanDerWaalsContact C-N 3.35Å; L18-V20 PolarHBondContact O-N 3.44Å; V20-V22 VanDerWaalsContact C-N 3.35Å; V20-V22 PolarHBondContact O-N 3.44Å; V20-L23 PolarHBondContact O-N 3.06Å; V20-I24 HydrophobicContact CG1-CD1 3.75Å; V20-I24 HydrophobicContact CG1-CG1 4.33Å; V20-I24 WeakPolarHBondContact O-CG1 3.28Å; V20-I24 PolarHBondContact O-N 3.11Å; V20-V47 HydrophobicContact CB-CG2 4.2Å; V20-V47 HydrophobicContact CG1-CG2 4.19Å; V20-V47 HydrophobicContact CG2-CG2 3.72Å; V20-L94 HydrophobicContact CG2-CD1 3.44Å; V20-L94 VanDerWaalsContact CG2-CD1 3.44Å; V20-A97 HydrophobicContact CG1-CB 4.12Å; V20-A97 HydrophobicContact CG2-CB 4.04Å
21	S	92.7	Very high	90.3	Very high	64 Å²	64	73 Å²	73	45%	0.448	42%	0.419	S	S	.	.	H	α-helix	trans	-65	-39.2	177.5	69.2	0	0	0	0	112.3	G17 L18 A25	G17-S21 WeakPolarHBondContact O-CB 3.33Å; G17-S21 PolarHBondContact O-N 3.4Å; G17-S21 PolarHBondContact O-OG 3.33Å; L18-S21 WeakPolarHBondContact CA-OG 3.2Å; L18-S21 PolarHBondContact O-N 3.49Å; L18-S21 PolarHBondContact O-OG 2.77Å; S21-A25 WeakPolarHBondContact O-CB 3.34Å; S21-A25 PolarHBondContact O-N 3.04Å
22	V	94.1	Very high	89.8	Confident	69 Å²	69	74.8 Å²	74.8	42%	0.418	41%	0.414	S	S	.	.	H	α-helix	trans	-66.2	-42.3	174.7	172.2	0	0	0	0	111.2	L18 V19 V20 A25 Q26	L18-V22 HydrophobicContact CD1-CG2 4.13Å; L18-V22 HydrophobicContact CG-CG2 4.44Å; L18-V22 WeakPolarHBondContact O-CB 3.42Å; L18-V22 VanDerWaalsContact O-CG2 3.27Å; L18-V22 WeakPolarHBondContact O-CG2 3.49Å; L18-V22 PolarHBondContact O-N 2.93Å; V19-V22 PolarHBondContact O-N 3.37Å; V20-V22 VanDerWaalsContact C-N 3.35Å; V20-V22 PolarHBondContact O-N 3.44Å; V22-A25 PolarHBondContact O-N 3.28Å; V22-Q26 WeakPolarHBondContact O-CG 3.45Å; V22-Q26 PolarHBondContact O-N 3.3Å; V22-Q26 VanDerWaalsContact O-N 3.09Å
23	L	91.3	Very high	89.6	Confident	59 Å²	59	76.2 Å²	76.2	31%	0.309	43%	0.426	S	S	.	.	H	α-helix	trans	-61.7	-44.1	176.7	-74.4	171.2	0	0	0	112	V19 V20 Q26 R27 L98	V19-L23 HydrophobicContact CG1-CD1 4.03Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 3.5Å; V20-L23 PolarHBondContact O-N 3.06Å; L23-Q26 PolarHBondContact O-N 3.34Å; L23-R27 WeakPolarHBondContact O-CG 3.48Å; L23-R27 PolarHBondContact O-N 3.19Å; L23-L98 HydrophobicContact CD1-CD2 3.42Å; L23-L98 VanDerWaalsContact CD1-CD2 3.42Å
24	I	90.1	Very high	89.4	Confident	27 Å²	27	81.9 Å²	81.9	14%	0.138	46%	0.456	C	S	.	.	H	α-helix	trans	-64.7	-44.8	176.4	-66.6	167.7	0	0	0	110.2	V20 Q26 R27 I28 D40	V20-I24 HydrophobicContact CG1-CD1 3.75Å; V20-I24 HydrophobicContact CG1-CG1 4.33Å; V20-I24 WeakPolarHBondContact O-CG1 3.28Å; V20-I24 PolarHBondContact O-N 3.11Å; I24-Q26 PolarHBondContact O-N 2.95Å; I24-R27 PolarHBondContact O-N 3.01Å; I24-I28 HydrophobicContact CG2-CD1 4.49Å; I24-I28 WeakPolarHBondContact O-CG1 3.29Å; I24-I28 PolarHBondContact O-N 3.18Å; I24-D40 HydrophobicContact CD1-CB 4.38Å; I24-D40 WeakPolarHBondContact CD1-O 3.45Å; I24-D40 HydrophobicContact CG1-CB 4.23Å; I24-D40 HydrophobicContact CG2-CB 3.98Å
25	A	90.5	Very high	89.1	Confident	64 Å²	64	86.1 Å²	86.1	53%	0.529	46%	0.461	S	S	.	.	H	α-helix	trans	-59.5	-33.1	-179.9	0	0	0	0	0	113.2	S21 V22 R27	S21-A25 WeakPolarHBondContact O-CB 3.34Å; S21-A25 PolarHBondContact O-N 3.04Å; V22-A25 PolarHBondContact O-N 3.28Å; A25-R27 VanDerWaalsContact C-N 3.3Å
26	Q	89.2	Confident	88.7	Confident	150 Å²	150	83.7 Å²	83.7	70%	0.701	45%	0.449	S	S	*	.	H	α-helix	trans	-74.5	-17.4	176.2	-72	178.1	-22	0	0	113.9	V22 L23 I24	V22-Q26 WeakPolarHBondContact O-CG 3.45Å; V22-Q26 PolarHBondContact O-N 3.3Å; V22-Q26 VanDerWaalsContact O-N 3.09Å; L23-Q26 PolarHBondContact O-N 3.34Å; I24-Q26 PolarHBondContact O-N 2.95Å
27	R	83.7	Confident	88.5	Confident	67 Å²	67	83.8 Å²	83.8	25%	0.253	45%	0.454	S	S	.	.	H	α-helix	trans	-93.4	-11.3	-179.1	-69.7	-178.4	81.6	-168.8	16.6	113.8	L23 I24 A25 D29 M36 D40 S101 K103	L23-R27 WeakPolarHBondContact O-CG 3.48Å; L23-R27 PolarHBondContact O-N 3.19Å; I24-R27 PolarHBondContact O-N 3.01Å; A25-R27 VanDerWaalsContact C-N 3.3Å; R27-D29 PolarHBondContact O-N 3.45Å; R27-M36 HydrophobicContact CB-CE 3.67Å; R27-M36 HydrophobicContact CG-CE 4.4Å; R27-M36 WeakPolarHBondContact O-CE 3.44Å; R27-D40 IonicContact CZ-OD1 3.87Å; R27-D40 IonicContact NH1-OD1 2.82Å; R27-D40 PolarHBondContact NH1-OD1 3.35Å; R27-S101 VanDerWaalsContact NH1-CA 3.26Å; R27-S101 PolarHBondContact NH1-O 3.03Å; R27-S101 PolarHBondContact NH1-OG 3.49Å; R27-S101 PolarHBondContact NH2-O 3.14Å; R27-K103 PolarHBondContact NH2-OXT 3.09Å
28	I	85.8	Confident	88.4	Confident	108 Å²	108	87.2 Å²	87.2	55%	0.554	46%	0.464	S	S	*	.			trans	-75.9	111	-179.4	-62.4	169.3	0	0	0	108.3	I24	I24-I28 HydrophobicContact CG2-CD1 4.49Å; I24-I28 WeakPolarHBondContact O-CG1 3.29Å; I24-I28 PolarHBondContact O-N 3.18Å
29	D	84.5	Confident	88.2	Confident	107 Å²	107	83.4 Å²	83.4	57%	0.572	44%	0.444	S	S	*	.			trans	-128.7	165.9	176.1	-164.4	-1.6	0	0	0	109.2	R27 N31 Y32	R27-D29 PolarHBondContact O-N 3.45Å; D29-N31 PolarHBondContact O-N 3.24Å; D29-N31 VanDerWaalsContact O-N 3.09Å; D29-Y32 WeakPolarHBondContact O-CB 3.46Å; D29-Y32 PolarHBondContact O-N 2.88Å
30	D	79.3	Confident	88.1	Confident	164 Å²	164	80.4 Å²	80.4	88%	0.877	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.8	-176	-70.8	-28.9	0	0	0	112.7	Y32	D30-Y32 VanDerWaalsContact C-N 3.33Å; D30-Y32 PolarHBondContact O-N 3.2Å
31	N	81.5	Confident	88	Confident	143 Å²	143	85.4 Å²	85.4	77%	0.765	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	36.3	176.6	-66.6	-58.3	0	0	0	113.5	D29 T33	D29-N31 PolarHBondContact O-N 3.24Å; D29-N31 VanDerWaalsContact O-N 3.09Å; N31-T33 PolarHBondContact O-N 3.04Å
32	Y	82.5	Confident	88	Confident	74 Å²	74	83.5 Å²	83.5	29%	0.29	44%	0.442	S	S	.	.			trans	-73.2	110.1	-177.6	-156	-128.8	0	0	0	112.2	D29 D30 M36 S37 D40	D29-Y32 WeakPolarHBondContact O-CB 3.46Å; D29-Y32 PolarHBondContact O-N 2.88Å; D30-Y32 VanDerWaalsContact C-N 3.33Å; D30-Y32 PolarHBondContact O-N 3.2Å; Y32-M36 HydrophobicContact CD2-CB 4.14Å; Y32-M36 HydrophobicContact CD2-CE 4.1Å; Y32-M36 HydrophobicContact CD2-CG 3.92Å; Y32-M36 HydrophobicContact CD2-SD 3.73Å; Y32-M36 HydrophobicContact CE2-CB 3.89Å; Y32-M36 HydrophobicContact CE2-CE 3.75Å; Y32-M36 HydrophobicContact CE2-CG 3.41Å; Y32-M36 VanDerWaalsContact CE2-CG 3.41Å; Y32-M36 HydrophobicContact CE2-SD 3.69Å; Y32-M36 PolarHBondContact OH-O 3.12Å; Y32-S37 VanDerWaalsContact CZ-CA 3.42Å; Y32-S37 WeakPolarHBondContact OH-CA 3.32Å; Y32-D40 WeakPolarHBondContact CE2-OD2 3.41Å; Y32-D40 VanDerWaalsContact OH-CB 3.26Å; Y32-D40 WeakPolarHBondContact OH-CB 3.37Å; Y32-D40 VanDerWaalsContact OH-CG 3.31Å; Y32-D40 PolarHBondContact OH-OD2 3.22Å
33	T	88.3	Confident	87.9	Confident	83 Å²	83	80.2 Å²	80.2	51%	0.509	42%	0.422	S	S	.	.			trans	-72.9	148.6	176.4	65	0	0	0	0	111.2	N31 F35 M36 S37	N31-T33 PolarHBondContact O-N 3.04Å; T33-F35 PolarHBondContact O-N 3.47Å; T33-F35 VanDerWaalsContact O-N 3.14Å; T33-M36 PolarHBondContact O-N 2.75Å; T33-M36 WeakPolarHBondContact OG1-CB 3.26Å; T33-M36 PolarHBondContact OG1-N 3.06Å; T33-S37 PolarHBondContact O-N 3.2Å
34	L	88	Confident	88	Confident	136 Å²	136	78.9 Å²	78.9	71%	0.712	42%	0.423	S	S	*	.	H	α-helix	trans	-56.8	-30.2	175.7	-171.3	75.2	0	0	0	112.4	S37 I38	L34-S37 PolarHBondContact O-OG 3.5Å; L34-I38 HydrophobicContact CG-CD1 4.1Å; L34-I38 WeakPolarHBondContact O-CG1 3.39Å; L34-I38 PolarHBondContact O-N 3.29Å
35	F	87.7	Confident	88.2	Confident	157 Å²	157	81.7 Å²	81.7	69%	0.689	44%	0.438	S	S	*	.	H	α-helix	trans	-68.2	-44	176	-179	-100.1	0	0	0	111.8	T33 S37 I38 N39	T33-F35 PolarHBondContact O-N 3.47Å; T33-F35 VanDerWaalsContact O-N 3.14Å; F35-S37 VanDerWaalsContact C-N 3.34Å; F35-S37 PolarHBondContact O-N 3.41Å; F35-I38 PolarHBondContact O-N 2.99Å; F35-N39 WeakPolarHBondContact O-CB 3.36Å; F35-N39 PolarHBondContact O-N 3.34Å
36	M	86.9	Confident	88.4	Confident	45 Å²	45	80.1 Å²	80.1	22%	0.222	42%	0.423	C	S	.	.	H	α-helix	trans	-64.8	-39.1	178.2	-166.6	172.7	166.3	0	0	111.5	R27 Y32 T33 N39 D40	R27-M36 HydrophobicContact CB-CE 3.67Å; R27-M36 HydrophobicContact CG-CE 4.4Å; R27-M36 WeakPolarHBondContact O-CE 3.44Å; Y32-M36 HydrophobicContact CD2-CB 4.14Å; Y32-M36 HydrophobicContact CD2-CE 4.1Å; Y32-M36 HydrophobicContact CD2-CG 3.92Å; Y32-M36 HydrophobicContact CD2-SD 3.73Å; Y32-M36 HydrophobicContact CE2-CB 3.89Å; Y32-M36 HydrophobicContact CE2-CE 3.75Å; Y32-M36 HydrophobicContact CE2-CG 3.41Å; Y32-M36 VanDerWaalsContact CE2-CG 3.41Å; Y32-M36 HydrophobicContact CE2-SD 3.69Å; Y32-M36 PolarHBondContact OH-O 3.12Å; T33-M36 PolarHBondContact O-N 2.75Å; T33-M36 WeakPolarHBondContact OG1-CB 3.26Å; T33-M36 PolarHBondContact OG1-N 3.06Å; M36-N39 PolarHBondContact O-N 3.08Å; M36-D40 PolarHBondContact O-N 2.91Å
37	S	88	Confident	88.6	Confident	35 Å²	35	73.4 Å²	73.4	25%	0.245	39%	0.392	C	S	.	.	H	α-helix	trans	-62.3	-45.6	177.3	73.1	0	0	0	0	114	Y32 T33 L34 F35 N39 L41	Y32-S37 VanDerWaalsContact CZ-CA 3.42Å; Y32-S37 WeakPolarHBondContact OH-CA 3.32Å; T33-S37 PolarHBondContact O-N 3.2Å; L34-S37 PolarHBondContact O-OG 3.5Å; F35-S37 VanDerWaalsContact C-N 3.34Å; F35-S37 PolarHBondContact O-N 3.41Å; S37-N39 VanDerWaalsContact C-N 3.34Å; S37-L41 VanDerWaalsContact O-CB 3.31Å; S37-L41 WeakPolarHBondContact O-CB 3.28Å; S37-L41 PolarHBondContact O-N 3.43Å
38	I	90.7	Very high	89.1	Confident	103 Å²	103	72.3 Å²	72.3	53%	0.528	40%	0.401	S	S	.	.	H	α-helix	trans	-69.1	-36.4	177.7	-65.7	169.6	0	0	0	110.5	L34 F35 G42	L34-I38 HydrophobicContact CG-CD1 4.1Å; L34-I38 WeakPolarHBondContact O-CG1 3.39Å; L34-I38 PolarHBondContact O-N 3.29Å; F35-I38 PolarHBondContact O-N 2.99Å; I38-G42 PolarHBondContact O-N 3.26Å
39	N	90.9	Very high	89.6	Confident	24 Å²	24	74 Å²	74	13%	0.128	41%	0.405	C	S	.	.	H	α-helix	trans	-66.4	-46.8	177.7	-171.6	38.7	0	0	0	111.9	F35 M36 S37 L41 G42 A43 M100	F35-N39 WeakPolarHBondContact O-CB 3.36Å; F35-N39 PolarHBondContact O-N 3.34Å; M36-N39 PolarHBondContact O-N 3.08Å; S37-N39 VanDerWaalsContact C-N 3.34Å; N39-L41 VanDerWaalsContact C-N 3.34Å; N39-L41 PolarHBondContact O-N 3.47Å; N39-G42 PolarHBondContact O-N 3.06Å; N39-A43 PolarHBondContact O-N 3.24Å; N39-M100 PolarHBondContact ND2-O 3.29Å; N39-M100 WeakPolarHBondContact O-CE 3.31Å; N39-M100 VanDerWaalsContact OD1-CE 3.25Å; N39-M100 WeakPolarHBondContact OD1-CE 3.33Å
40	D	91.5	Very high	90.1	Very high	3 Å²	3	70 Å²	70	2%	0.016	39%	0.385	C	S	.	.	H	α-helix	trans	-68	-34.2	177.2	-69.5	-30.5	0	0	0	111.8	I24 R27 Y32 M36 G42 A43 G44	I24-D40 HydrophobicContact CD1-CB 4.38Å; I24-D40 WeakPolarHBondContact CD1-O 3.45Å; I24-D40 HydrophobicContact CG1-CB 4.23Å; I24-D40 HydrophobicContact CG2-CB 3.98Å; R27-D40 IonicContact CZ-OD1 3.87Å; R27-D40 IonicContact NH1-OD1 2.82Å; R27-D40 PolarHBondContact NH1-OD1 3.35Å; Y32-D40 WeakPolarHBondContact CE2-OD2 3.41Å; Y32-D40 VanDerWaalsContact OH-CB 3.26Å; Y32-D40 WeakPolarHBondContact OH-CB 3.37Å; Y32-D40 VanDerWaalsContact OH-CG 3.31Å; Y32-D40 PolarHBondContact OH-OD2 3.22Å; M36-D40 PolarHBondContact O-N 2.91Å; D40-G42 VanDerWaalsContact C-N 3.35Å; D40-A43 WeakPolarHBondContact O-CB 3.24Å; D40-A43 PolarHBondContact O-N 3.21Å; D40-G44 PolarHBondContact O-N 3.46Å
41	L	91.6	Very high	90.8	Very high	111 Å²	111	62.7 Å²	62.7	58%	0.581	35%	0.349	S	S	*	.	H	α-helix	trans	-60.9	-44.6	170.3	-179.9	65.1	0	0	0	111.1	S37 N39 A43 G44 L45	S37-L41 VanDerWaalsContact O-CB 3.31Å; S37-L41 WeakPolarHBondContact O-CB 3.28Å; S37-L41 PolarHBondContact O-N 3.43Å; N39-L41 VanDerWaalsContact C-N 3.34Å; N39-L41 PolarHBondContact O-N 3.47Å; L41-A43 VanDerWaalsContact C-N 3.35Å; L41-G44 PolarHBondContact O-N 3.39Å; L41-L45 HydrophobicContact CD1-CD1 4.43Å; L41-L45 HydrophobicContact CD1-CG 4.42Å; L41-L45 HydrophobicContact CG-CD1 4.18Å; L41-L45 WeakPolarHBondContact O-CB 3.2Å; L41-L45 VanDerWaalsContact O-CG 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.32Å; L41-L45 PolarHBondContact O-N 3.22Å
42	G	92.8	Very high	91.4	Very high	24 Å²	24	61.8 Å²	61.8	25%	0.247	34%	0.344	C	S	.	.	H	α-helix	trans	-61.4	-41.5	174.6	0	0	0	0	0	112.7	I38 N39 D40 L45 S46	I38-G42 PolarHBondContact O-N 3.26Å; N39-G42 PolarHBondContact O-N 3.06Å; D40-G42 VanDerWaalsContact C-N 3.35Å; G42-L45 PolarHBondContact O-N 3.34Å; G42-S46 WeakPolarHBondContact O-CB 3.49Å; G42-S46 PolarHBondContact O-N 3.27Å
43	A	92.3	Very high	92	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.8	-48.1	175	0	0	0	0	0	111.2	N39 D40 L41 S46 V47 A97 M100	N39-A43 PolarHBondContact O-N 3.24Å; D40-A43 WeakPolarHBondContact O-CB 3.24Å; D40-A43 PolarHBondContact O-N 3.21Å; L41-A43 VanDerWaalsContact C-N 3.35Å; A43-S46 PolarHBondContact O-N 3.39Å; A43-S46 PolarHBondContact O-OG 3.2Å; A43-V47 PolarHBondContact O-N 3.39Å; A43-A97 HydrophobicContact CB-CB 4.07Å; A43-A97 WeakPolarHBondContact O-CB 3.3Å; A43-M100 HydrophobicContact CB-CB 3.96Å
44	G	93.4	Very high	92.3	Very high	32 Å²	32	56.8 Å²	56.8	33%	0.33	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.9	0	0	0	0	0	113.3	D40 L41 S46 V47 G48	D40-G44 PolarHBondContact O-N 3.46Å; L41-G44 PolarHBondContact O-N 3.39Å; G44-S46 VanDerWaalsContact C-N 3.33Å; G44-S46 PolarHBondContact O-N 2.96Å; G44-V47 PolarHBondContact O-N 3.28Å; G44-G48 PolarHBondContact O-N 3.46Å
45	L	94.2	Very high	92.6	Very high	86 Å²	86	51.6 Å²	51.6	45%	0.45	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-37.3	177.7	-71.3	175.3	0	0	0	112.3	L41 G42 G48 F49	L41-L45 HydrophobicContact CD1-CD1 4.43Å; L41-L45 HydrophobicContact CD1-CG 4.42Å; L41-L45 HydrophobicContact CG-CD1 4.18Å; L41-L45 WeakPolarHBondContact O-CB 3.2Å; L41-L45 VanDerWaalsContact O-CG 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.32Å; L41-L45 PolarHBondContact O-N 3.22Å; G42-L45 PolarHBondContact O-N 3.34Å; L45-G48 PolarHBondContact O-N 3.13Å; L45-F49 HydrophobicContact CB-CD2 4.38Å; L45-F49 HydrophobicContact CB-CE2 4.43Å; L45-F49 HydrophobicContact CD2-CE2 3.91Å; L45-F49 WeakPolarHBondContact O-CD2 3.28Å; L45-F49 PolarHBondContact O-N 2.83Å
46	S	93.3	Very high	92.9	Very high	31 Å²	31	51.4 Å²	51.4	22%	0.217	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-43.6	179.4	74.7	0	0	0	0	112.3	G42 A43 G44 S50	G42-S46 WeakPolarHBondContact O-CB 3.49Å; G42-S46 PolarHBondContact O-N 3.27Å; A43-S46 PolarHBondContact O-N 3.39Å; A43-S46 PolarHBondContact O-OG 3.2Å; G44-S46 VanDerWaalsContact C-N 3.33Å; G44-S46 PolarHBondContact O-N 2.96Å; S46-S50 VanDerWaalsContact O-CB 3.26Å; S46-S50 WeakPolarHBondContact O-CB 3.5Å; S46-S50 PolarHBondContact O-N 3.09Å; S46-S50 PolarHBondContact O-OG 3.27Å
47	V	94.4	Very high	93.3	Very high	9 Å²	9	50.6 Å²	50.6	6%	0.055	30%	0.302	C	S	.	.	H	α-helix	trans	-72.6	-39.1	174.6	-175.8	0	0	0	0	111.5	V20 A43 G44 S50 G51 A97	V20-V47 HydrophobicContact CB-CG2 4.2Å; V20-V47 HydrophobicContact CG1-CG2 4.19Å; V20-V47 HydrophobicContact CG2-CG2 3.72Å; A43-V47 PolarHBondContact O-N 3.39Å; G44-V47 PolarHBondContact O-N 3.28Å; V47-S50 WeakPolarHBondContact CA-OG 3.33Å; V47-S50 PolarHBondContact O-OG 3.45Å; V47-S50 VanDerWaalsContact O-OG 3.08Å; V47-G51 WeakPolarHBondContact O-CA 3.49Å; V47-G51 PolarHBondContact O-N 2.95Å; V47-A97 HydrophobicContact CG2-CB 3.18Å
48	G	94.3	Very high	93.6	Very high	43 Å²	43	49 Å²	49	44%	0.443	29%	0.291	S	S	.	.	H	α-helix	trans	-60.3	-53.2	-179	0	0	0	0	0	112.5	G44 L45 L52	G44-G48 PolarHBondContact O-N 3.46Å; L45-G48 PolarHBondContact O-N 3.13Å; G48-L52 WeakPolarHBondContact O-CB 3.38Å; G48-L52 PolarHBondContact O-N 3.36Å
49	F	95	Very high	93.7	Very high	143 Å²	143	46.2 Å²	46.2	63%	0.627	29%	0.287	S	S	*	.	H	α-helix	trans	-72.3	-38.4	-177.9	-73.5	-55.3	0	0	0	113.3	L45 L52 A53	L45-F49 HydrophobicContact CB-CD2 4.38Å; L45-F49 HydrophobicContact CB-CE2 4.43Å; L45-F49 HydrophobicContact CD2-CE2 3.91Å; L45-F49 WeakPolarHBondContact O-CD2 3.28Å; L45-F49 PolarHBondContact O-N 2.83Å; F49-L52 PolarHBondContact O-N 3.43Å; F49-A53 WeakPolarHBondContact O-CB 3.29Å; F49-A53 PolarHBondContact O-N 3.08Å
50	S	94.5	Very high	93.9	Very high	23 Å²	23	51.1 Å²	51.1	16%	0.161	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-41.8	174.9	58	0	0	0	0	111.9	S46 V47 A53 A54 G93	S46-S50 VanDerWaalsContact O-CB 3.26Å; S46-S50 WeakPolarHBondContact O-CB 3.5Å; S46-S50 PolarHBondContact O-N 3.09Å; S46-S50 PolarHBondContact O-OG 3.27Å; V47-S50 WeakPolarHBondContact CA-OG 3.33Å; V47-S50 PolarHBondContact O-OG 3.45Å; V47-S50 VanDerWaalsContact O-OG 3.08Å; S50-A53 PolarHBondContact O-N 3.39Å; S50-A54 VanDerWaalsContact O-CB 3.28Å; S50-A54 WeakPolarHBondContact O-CB 3.45Å; S50-A54 PolarHBondContact O-N 3.38Å; S50-G93 VanDerWaalsContact OG-CA 3.32Å; S50-G93 WeakPolarHBondContact OG-CA 3.48Å
51	G	94.3	Very high	94	Very high	12 Å²	12	52.7 Å²	52.7	12%	0.124	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-41.1	175.5	0	0	0	0	0	112.4	V47 A54 G55	V47-G51 WeakPolarHBondContact O-CA 3.49Å; V47-G51 PolarHBondContact O-N 2.95Å; G51-A54 PolarHBondContact O-N 2.89Å; G51-G55 PolarHBondContact O-N 2.86Å
52	L	94.5	Very high	94	Very high	123 Å²	123	47.7 Å²	47.7	64%	0.644	29%	0.292	S	S	*	.	H	α-helix	trans	-62.8	-46.1	174.3	-172.8	155.2	0	0	0	111.4	G48 F49 G55 Y56	G48-L52 WeakPolarHBondContact O-CB 3.38Å; G48-L52 PolarHBondContact O-N 3.36Å; F49-L52 PolarHBondContact O-N 3.43Å; L52-G55 PolarHBondContact O-N 3.37Å; L52-Y56 WeakPolarHBondContact O-CB 3.21Å; L52-Y56 PolarHBondContact O-N 3.5Å
53	A	94.6	Very high	94	Very high	52 Å²	52	50.5 Å²	50.5	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-44	177.7	0	0	0	0	0	112.1	F49 S50 Y56 A57	F49-A53 WeakPolarHBondContact O-CB 3.29Å; F49-A53 PolarHBondContact O-N 3.08Å; S50-A53 PolarHBondContact O-N 3.39Å; A53-Y56 PolarHBondContact O-N 2.97Å; A53-A57 PolarHBondContact O-N 3.4Å
54	A	94.7	Very high	94	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-44.3	175.9	0	0	0	0	0	111.6	I13 S50 G51 Y56 A57 I58 L89	I13-A54 HydrophobicContact CD1-CB 3.63Å; S50-A54 VanDerWaalsContact O-CB 3.28Å; S50-A54 WeakPolarHBondContact O-CB 3.45Å; S50-A54 PolarHBondContact O-N 3.38Å; G51-A54 PolarHBondContact O-N 2.89Å; A54-Y56 VanDerWaalsContact C-N 3.34Å; A54-Y56 PolarHBondContact O-N 3.43Å; A54-A57 PolarHBondContact O-N 2.88Å; A54-I58 WeakPolarHBondContact O-CG1 3.43Å; A54-I58 PolarHBondContact O-N 3.23Å; A54-L89 HydrophobicContact CB-CB 4.03Å
55	G	94.7	Very high	93.9	Very high	28 Å²	28	52.3 Å²	52.3	29%	0.289	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-39.7	176.2	0	0	0	0	0	112.6	G51 L52 I58 G59	G51-G55 PolarHBondContact O-N 2.86Å; L52-G55 PolarHBondContact O-N 3.37Å; G55-I58 PolarHBondContact O-N 3.03Å; G55-G59 PolarHBondContact O-N 3.21Å
56	Y	94.9	Very high	93.8	Very high	153 Å²	153	50.1 Å²	50.1	60%	0.6	31%	0.305	S	S	*	.	H	α-helix	trans	-64.1	-44	174.5	-172.1	-96.1	0	0	0	112	L52 A53 A54 G59 K60	L52-Y56 WeakPolarHBondContact O-CB 3.21Å; L52-Y56 PolarHBondContact O-N 3.5Å; A53-Y56 PolarHBondContact O-N 2.97Å; A54-Y56 VanDerWaalsContact C-N 3.34Å; A54-Y56 PolarHBondContact O-N 3.43Å; Y56-G59 PolarHBondContact O-N 3.44Å; Y56-K60 HydrophobicContact CD1-CG 4.31Å; Y56-K60 HydrophobicContact CE1-CG 3.91Å; Y56-K60 WeakPolarHBondContact O-CG 3.47Å; Y56-K60 PolarHBondContact O-N 3.03Å; Y56-K60 WeakPolarHBondContact OH-CE 3.29Å
57	A	94.2	Very high	93.6	Very high	28 Å²	28	56 Å²	56	23%	0.231	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-47.4	176.5	0	0	0	0	0	111.7	A53 A54 G59 K60 V61 A86	A53-A57 PolarHBondContact O-N 3.4Å; A54-A57 PolarHBondContact O-N 2.88Å; A57-G59 VanDerWaalsContact C-N 3.32Å; A57-G59 PolarHBondContact O-N 3.37Å; A57-K60 PolarHBondContact O-N 3.42Å; A57-V61 WeakPolarHBondContact O-CB 3.34Å; A57-V61 VanDerWaalsContact O-CG2 3.28Å; A57-V61 WeakPolarHBondContact O-CG2 3.32Å; A57-V61 PolarHBondContact O-N 2.86Å; A57-A86 HydrophobicContact CB-CB 3.95Å
58	I	94.7	Very high	93.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-41.2	176	-70.2	179.5	0	0	0	111.1	M9 A10 I13 A54 G55 G62 L83 A86 E87	M9-I58 HydrophobicContact CB-CD1 4.2Å; A10-I58 HydrophobicContact CB-CG2 4.41Å; I13-I58 HydrophobicContact CD1-CD1 3.51Å; I13-I58 HydrophobicContact CG1-CD1 4.41Å; A54-I58 WeakPolarHBondContact O-CG1 3.43Å; A54-I58 PolarHBondContact O-N 3.23Å; G55-I58 PolarHBondContact O-N 3.03Å; I58-G62 VanDerWaalsContact O-CA 3.29Å; I58-G62 WeakPolarHBondContact O-CA 3.31Å; I58-G62 PolarHBondContact O-N 3.21Å; I58-L83 HydrophobicContact CB-CD2 4.34Å; I58-L83 HydrophobicContact CG1-CD2 4.31Å; I58-L83 HydrophobicContact CG2-CD2 4Å; I58-A86 HydrophobicContact CG1-CB 3.82Å; I58-E87 HydrophobicContact CD1-CB 4.46Å
59	G	93.6	Very high	93.2	Very high	44 Å²	44	56.3 Å²	56.3	45%	0.454	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-45.7	177.7	0	0	0	0	0	112.7	G55 Y56 A57 D63	G55-G59 PolarHBondContact O-N 3.21Å; Y56-G59 PolarHBondContact O-N 3.44Å; A57-G59 VanDerWaalsContact C-N 3.32Å; A57-G59 PolarHBondContact O-N 3.37Å; G59-D63 PolarHBondContact O-N 3.18Å
60	K	94.7	Very high	92.8	Very high	126 Å²	126	54.2 Å²	54.2	55%	0.548	32%	0.322	S	S	.	.	H	α-helix	trans	-69.5	-46.9	179.1	-71.7	-65.3	-173.7	-179.5	0	112.8	Y56 A57 G62 A64	Y56-K60 HydrophobicContact CD1-CG 4.31Å; Y56-K60 HydrophobicContact CE1-CG 3.91Å; Y56-K60 WeakPolarHBondContact O-CG 3.47Å; Y56-K60 PolarHBondContact O-N 3.03Å; Y56-K60 WeakPolarHBondContact OH-CE 3.29Å; A57-K60 PolarHBondContact O-N 3.42Å; K60-G62 VanDerWaalsContact C-N 3.29Å; K60-G62 PolarHBondContact O-N 3.33Å; K60-A64 PolarHBondContact O-N 3.01Å
61	V	93	Very high	92.6	Very high	37 Å²	37	62.2 Å²	62.2	22%	0.224	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-37.5	176.7	173.1	0	0	0	0	110.5	A57 G65 I82 L83	A57-V61 WeakPolarHBondContact O-CB 3.34Å; A57-V61 VanDerWaalsContact O-CG2 3.28Å; A57-V61 WeakPolarHBondContact O-CG2 3.32Å; A57-V61 PolarHBondContact O-N 2.86Å; V61-G65 WeakPolarHBondContact O-CA 3.44Å; V61-G65 PolarHBondContact O-N 2.77Å; V61-I82 HydrophobicContact CB-CG2 4.3Å; V61-I82 HydrophobicContact CG1-CB 3.97Å; V61-I82 HydrophobicContact CG1-CG2 3.53Å; V61-I82 HydrophobicContact CG2-CG2 3.75Å; V61-L83 HydrophobicContact CB-CD2 4.15Å; V61-L83 HydrophobicContact CG1-CD2 3.84Å; V61-L83 HydrophobicContact CG1-CG 4.05Å
62	G	92.7	Very high	92.4	Very high	5 Å²	5	66.5 Å²	66.5	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-60.5	-53.5	176.6	0	0	0	0	0	112.4	I58 K60 G65 V66	I58-G62 VanDerWaalsContact O-CA 3.29Å; I58-G62 WeakPolarHBondContact O-CA 3.31Å; I58-G62 PolarHBondContact O-N 3.21Å; K60-G62 VanDerWaalsContact C-N 3.29Å; K60-G62 PolarHBondContact O-N 3.33Å; G62-G65 PolarHBondContact O-N 3.26Å; G62-V66 WeakPolarHBondContact O-CG1 3.49Å; G62-V66 WeakPolarHBondContact O-CG2 3.26Å; G62-V66 PolarHBondContact O-N 2.91Å
63	D	92.6	Very high	92	Very high	84 Å²	84	65.4 Å²	65.4	45%	0.449	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-45.9	179.7	178.2	68.6	0	0	0	112.1	G59 V66 R67	G59-D63 PolarHBondContact O-N 3.18Å; D63-V66 WeakPolarHBondContact O-CG2 3.38Å; D63-R67 WeakPolarHBondContact O-CD 3.27Å; D63-R67 VanDerWaalsContact O-CG 3.26Å; D63-R67 WeakPolarHBondContact O-CG 3.47Å; D63-R67 PolarHBondContact O-N 3.31Å; D63-R67 IonicContact OD1-CZ 3.51Å; D63-R67 IonicContact OD1-NE 2.99Å; D63-R67 PolarHBondContact OD1-NE 3.46Å; D63-R67 IonicContact OD1-NH2 3.12Å; D63-R67 PolarHBondContact OD1-NH2 3.38Å; D63-R67 VanDerWaalsContact OD1-NH2 3.12Å; D63-R67 IonicContact OD2-CZ 3.79Å; D63-R67 IonicContact OD2-NE 3.29Å; D63-R67 PolarHBondContact OD2-NE 3.32Å; D63-R67 IonicContact OD2-NH2 3.71Å
64	A	92.3	Very high	91.8	Very high	59 Å²	59	73 Å²	73	49%	0.488	39%	0.389	S	S	.	.	H	α-helix	trans	-66.2	-41.1	177	0	0	0	0	0	112	K60 R67 A68	K60-A64 PolarHBondContact O-N 3.01Å; A64-R67 PolarHBondContact O-N 2.92Å; A64-A68 WeakPolarHBondContact O-CB 3.49Å; A64-A68 PolarHBondContact O-N 3.27Å
65	G	91.3	Very high	91.5	Very high	10 Å²	10	77.4 Å²	77.4	10%	0.103	41%	0.41	C	S	.	.	H	α-helix	trans	-67.2	-41.7	-176.9	0	0	0	0	0	113.2	V61 G62 A68 T69 M79	V61-G65 WeakPolarHBondContact O-CA 3.44Å; V61-G65 PolarHBondContact O-N 2.77Å; G62-G65 PolarHBondContact O-N 3.26Å; G65-A68 PolarHBondContact O-N 2.97Å; G65-T69 VanDerWaalsContact O-CB 3.31Å; G65-T69 WeakPolarHBondContact O-CB 3.27Å; G65-T69 PolarHBondContact O-N 3.44Å; G65-T69 PolarHBondContact O-OG1 3.08Å; G65-M79 VanDerWaalsContact CA-SD 3.58Å
66	V	90.7	Very high	91.2	Very high	41 Å²	41	78 Å²	78	25%	0.248	41%	0.405	C	S	.	.	H	α-helix	trans	-68.5	-36.9	177.2	-62.5	0	0	0	0	111.7	T3 P6 G62 D63 T69 S70 M79	T3-V66 HydrophobicContact CG2-CB 4.39Å; T3-V66 HydrophobicContact CG2-CG1 4.25Å; P6-V66 HydrophobicContact CG-CG1 4.22Å; G62-V66 WeakPolarHBondContact O-CG1 3.49Å; G62-V66 WeakPolarHBondContact O-CG2 3.26Å; G62-V66 PolarHBondContact O-N 2.91Å; D63-V66 WeakPolarHBondContact O-CG2 3.38Å; V66-T69 PolarHBondContact O-N 2.84Å; V66-S70 PolarHBondContact O-N 3.48Å; V66-S70 VanDerWaalsContact O-N 3.16Å; V66-M79 HydrophobicContact CG1-SD 4.32Å
67	R	90.8	Very high	91	Very high	155 Å²	155	76 Å²	76	59%	0.585	41%	0.409	S	S	*	.	H	α-helix	trans	-69.6	-34.9	175.1	-67.8	173.3	-171.2	-121	4.1	112.8	D63 A64 S70	D63-R67 WeakPolarHBondContact O-CD 3.27Å; D63-R67 VanDerWaalsContact O-CG 3.26Å; D63-R67 WeakPolarHBondContact O-CG 3.47Å; D63-R67 PolarHBondContact O-N 3.31Å; D63-R67 IonicContact OD1-CZ 3.51Å; D63-R67 IonicContact OD1-NE 2.99Å; D63-R67 PolarHBondContact OD1-NE 3.46Å; D63-R67 IonicContact OD1-NH2 3.12Å; D63-R67 PolarHBondContact OD1-NH2 3.38Å; D63-R67 VanDerWaalsContact OD1-NH2 3.12Å; D63-R67 IonicContact OD2-CZ 3.79Å; D63-R67 IonicContact OD2-NE 3.29Å; D63-R67 PolarHBondContact OD2-NE 3.32Å; D63-R67 IonicContact OD2-NH2 3.71Å; A64-R67 PolarHBondContact O-N 2.92Å; R67-S70 PolarHBondContact O-OG 3.47Å
68	A	90.2	Very high	90.8	Very high	37 Å²	37	76.4 Å²	76.4	31%	0.306	42%	0.415	S	S	.	.	H	α-helix	trans	-71.9	-39.8	174.4	0	0	0	0	0	111.5	A64 G65 S70 K71 Q72	A64-A68 WeakPolarHBondContact O-CB 3.49Å; A64-A68 PolarHBondContact O-N 3.27Å; G65-A68 PolarHBondContact O-N 2.97Å; A68-S70 VanDerWaalsContact C-N 3.26Å; A68-S70 PolarHBondContact O-N 2.96Å; A68-K71 PolarHBondContact O-N 3.48Å; A68-K71 VanDerWaalsContact O-N 3.13Å; A68-Q72 PolarHBondContact O-N 2.92Å
69	T	89	Confident	90.7	Very high	21 Å²	21	76.7 Å²	76.7	13%	0.129	42%	0.416	C	S	.	.	H	α-helix	trans	-64.7	-29.9	178.8	-58.4	0	0	0	0	112.3	G65 V66 K71 Q72 F76	G65-T69 VanDerWaalsContact O-CB 3.31Å; G65-T69 WeakPolarHBondContact O-CB 3.27Å; G65-T69 PolarHBondContact O-N 3.44Å; G65-T69 PolarHBondContact O-OG1 3.08Å; V66-T69 PolarHBondContact O-N 2.84Å; T69-K71 VanDerWaalsContact C-N 3.31Å; T69-K71 PolarHBondContact O-N 2.97Å; T69-Q72 CarbonylContact O-C 3.39Å; T69-F76 HydrophobicContact CG2-CB 3.96Å; T69-F76 HydrophobicContact CG2-CD2 4.23Å
70	S	86.6	Confident	90.6	Very high	99 Å²	99	76.2 Å²	76.2	69%	0.692	41%	0.405	S	S	*	.	H	α-helix	trans	-67.9	-30.5	175	72.6	0	0	0	0	113	V66 R67 A68	V66-S70 PolarHBondContact O-N 3.48Å; V66-S70 VanDerWaalsContact O-N 3.16Å; R67-S70 PolarHBondContact O-OG 3.47Å; A68-S70 VanDerWaalsContact C-N 3.26Å; A68-S70 PolarHBondContact O-N 2.96Å
71	K	90.4	Very high	90.5	Very high	190 Å²	190	74.9 Å²	74.9	83%	0.826	40%	0.403	S	S	*	.	H	α-helix	trans	-81.2	-40.2	175.7	-64.6	-175.3	178.3	-177.4	0	112.4	A68 T69	A68-K71 PolarHBondContact O-N 3.48Å; A68-K71 VanDerWaalsContact O-N 3.13Å; T69-K71 VanDerWaalsContact C-N 3.31Å; T69-K71 PolarHBondContact O-N 2.97Å
72	Q	89.8	Confident	90.5	Very high	102 Å²	102	77.6 Å²	77.6	48%	0.477	42%	0.415	S	S	.	.			trans	-140.7	109.3	-179.2	-170.4	175.4	5.8	0	0	110.7	A68 T69 R74 M75	A68-Q72 PolarHBondContact O-N 2.92Å; T69-Q72 CarbonylContact O-C 3.39Å; Q72-R74 HydrophobicContact CG-CB 4.34Å; Q72-R74 PolarHBondContact O-N 2.62Å; Q72-M75 HydrophobicContact CB-CG 4.04Å; Q72-M75 HydrophobicContact CG-CG 4.4Å; Q72-M75 WeakPolarHBondContact O-CB 3.42Å; Q72-M75 PolarHBondContact O-N 3.34Å
73	P	87.6	Confident	90.6	Very high	101 Å²	101	77.3 Å²	77.3	66%	0.656	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-18	-174	24.7	-34.3	0	0	0	113.8	M75 F76	P73-M75 VanDerWaalsContact C-N 3.26Å; P73-M75 PolarHBondContact O-N 3.01Å; P73-F76 WeakPolarHBondContact O-CB 3.33Å; P73-F76 PolarHBondContact O-N 3.3Å
74	R	89.6	Confident	90.6	Very high	211 Å²	211	77.1 Å²	77.1	80%	0.796	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.3	174.8	-66.5	-175.2	177.1	175.5	-1.3	113.2	Q72 F76	Q72-R74 HydrophobicContact CG-CB 4.34Å; Q72-R74 PolarHBondContact O-N 2.62Å; R74-F76 PolarHBondContact O-N 3.29Å
75	M	88.3	Confident	90.7	Very high	92 Å²	92	81 Å²	81	45%	0.453	42%	0.417	S	S	.	.	H	α-helix	trans	-68.5	-12.8	178.1	-66.9	-62.1	-70.1	0	0	113.3	Q72 P73 V77 G78 M79	Q72-M75 HydrophobicContact CB-CG 4.04Å; Q72-M75 HydrophobicContact CG-CG 4.4Å; Q72-M75 WeakPolarHBondContact O-CB 3.42Å; Q72-M75 PolarHBondContact O-N 3.34Å; P73-M75 VanDerWaalsContact C-N 3.26Å; P73-M75 PolarHBondContact O-N 3.01Å; M75-V77 VanDerWaalsContact C-N 3.34Å; M75-V77 PolarHBondContact O-N 3.32Å; M75-G78 PolarHBondContact O-N 3.09Å; M75-M79 PolarHBondContact O-N 2.98Å
76	F	88.8	Confident	90.8	Very high	41 Å²	41	81 Å²	81	18%	0.18	42%	0.416	C	S	.	.	H	α-helix	trans	-58.1	-42.5	179.8	-179.1	-107.7	0	0	0	113.1	K2 I5 T69 P73 R74 M79 V80	K2-F76 HydrophobicContact CB-CD2 4.33Å; K2-F76 HydrophobicContact CB-CE2 3.75Å; K2-F76 HydrophobicContact CB-CZ 3.98Å; K2-F76 HydrophobicContact CG-CZ 4.33Å; K2-F76 WeakPolarHBondContact O-CE2 3.48Å; I5-F76 HydrophobicContact CD1-CE1 4.42Å; I5-F76 HydrophobicContact CD1-CE2 3.95Å; I5-F76 HydrophobicContact CD1-CZ 3.42Å; I5-F76 VanDerWaalsContact CD1-CZ 3.42Å; T69-F76 HydrophobicContact CG2-CB 3.96Å; T69-F76 HydrophobicContact CG2-CD2 4.23Å; P73-F76 WeakPolarHBondContact O-CB 3.33Å; P73-F76 PolarHBondContact O-N 3.3Å; R74-F76 PolarHBondContact O-N 3.29Å; F76-M79 HydrophobicContact CD2-CE 3.65Å; F76-M79 HydrophobicContact CE2-CE 3.77Å; F76-M79 PolarHBondContact O-N 3.48Å; F76-V80 HydrophobicContact CE1-CG2 4.26Å; F76-V80 HydrophobicContact CE2-CG2 4.33Å; F76-V80 HydrophobicContact CZ-CG2 4.16Å; F76-V80 WeakPolarHBondContact O-CG2 3.39Å; F76-V80 PolarHBondContact O-N 2.94Å
77	V	89.9	Confident	90.9	Very high	112 Å²	112	80.3 Å²	80.3	68%	0.679	41%	0.41	S	S	*	.	H	α-helix	trans	-66.1	-40.6	-179.7	-178.2	0	0	0	0	110.8	M75 V80 L81	M75-V77 VanDerWaalsContact C-N 3.34Å; M75-V77 PolarHBondContact O-N 3.32Å; V77-V80 PolarHBondContact O-N 3Å; V77-L81 PolarHBondContact O-N 2.95Å; V77-L81 VanDerWaalsContact O-N 3.07Å
78	G	91	Very high	91.1	Very high	35 Å²	35	74.8 Å²	74.8	36%	0.361	39%	0.393	S	S	.	.	H	α-helix	trans	-65.1	-41.1	176.2	0	0	0	0	0	112.5	M75 V80 L81 I82	M75-G78 PolarHBondContact O-N 3.09Å; G78-V80 PolarHBondContact O-N 3.37Å; G78-L81 PolarHBondContact O-N 2.98Å; G78-I82 VanDerWaalsContact O-CG1 3.31Å; G78-I82 WeakPolarHBondContact O-CG1 3.36Å; G78-I82 PolarHBondContact O-N 3.33Å; G78-I82 VanDerWaalsContact O-N 3.12Å
79	M	91	Very high	91.2	Very high	8 Å²	8	76.9 Å²	76.9	4%	0.039	40%	0.399	C	S	.	.	H	α-helix	trans	-58.6	-47.3	174	178.6	-170.6	74.7	0	0	111.5	G65 V66 M75 F76 L81 I82 L83	G65-M79 VanDerWaalsContact CA-SD 3.58Å; V66-M79 HydrophobicContact CG1-SD 4.32Å; M75-M79 PolarHBondContact O-N 2.98Å; F76-M79 HydrophobicContact CD2-CE 3.65Å; F76-M79 HydrophobicContact CE2-CE 3.77Å; F76-M79 PolarHBondContact O-N 3.48Å; M79-L81 VanDerWaalsContact C-N 3.34Å; M79-L81 PolarHBondContact O-N 3.47Å; M79-I82 PolarHBondContact O-N 3.47Å; M79-L83 HydrophobicContact CE-CD1 4.42Å; M79-L83 HydrophobicContact CG-CD1 3.95Å; M79-L83 HydrophobicContact CG-CG 4.45Å; M79-L83 VanDerWaalsContact O-CG 3.28Å; M79-L83 WeakPolarHBondContact O-CG 3.49Å; M79-L83 PolarHBondContact O-N 2.96Å
80	V	92	Very high	91.4	Very high	34 Å²	34	76 Å²	76	21%	0.206	39%	0.393	C	S	.	.	H	α-helix	trans	-61.5	-42.7	179.4	172.5	0	0	0	0	111.3	I5 F76 V77 G78 I82 L83 I84	I5-V80 HydrophobicContact CD1-CG2 4.25Å; F76-V80 HydrophobicContact CE1-CG2 4.26Å; F76-V80 HydrophobicContact CE2-CG2 4.33Å; F76-V80 HydrophobicContact CZ-CG2 4.16Å; F76-V80 WeakPolarHBondContact O-CG2 3.39Å; F76-V80 PolarHBondContact O-N 2.94Å; V77-V80 PolarHBondContact O-N 3Å; G78-V80 PolarHBondContact O-N 3.37Å; V80-I82 PolarHBondContact O-N 3.38Å; V80-L83 PolarHBondContact O-N 3.47Å; V80-I84 HydrophobicContact CG1-CD1 4.05Å; V80-I84 WeakPolarHBondContact O-CG1 3.39Å; V80-I84 PolarHBondContact O-N 3.18Å
81	L	93.3	Very high	91.7	Very high	99 Å²	99	73.9 Å²	73.9	52%	0.518	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-44.5	177.6	-176.4	65.7	0	0	0	112	V77 G78 M79 L83 I84 F85	V77-L81 PolarHBondContact O-N 2.95Å; V77-L81 VanDerWaalsContact O-N 3.07Å; G78-L81 PolarHBondContact O-N 2.98Å; M79-L81 VanDerWaalsContact C-N 3.34Å; M79-L81 PolarHBondContact O-N 3.47Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 3.35Å; L81-I84 PolarHBondContact O-N 2.97Å; L81-F85 HydrophobicContact CD1-CD2 4.47Å; L81-F85 HydrophobicContact CD1-CE2 3.86Å; L81-F85 HydrophobicContact CG-CD2 4.31Å; L81-F85 HydrophobicContact CG-CE2 3.92Å; L81-F85 WeakPolarHBondContact O-CD2 3.45Å; L81-F85 PolarHBondContact O-N 3.47Å
82	I	93.5	Very high	91.9	Very high	93 Å²	93	71.7 Å²	71.7	48%	0.477	36%	0.362	S	S	.	.	H	α-helix	trans	-65.4	-39.6	178	-60.6	164.7	0	0	0	110.6	V61 G78 M79 V80 I84 F85 A86	V61-I82 HydrophobicContact CB-CG2 4.3Å; V61-I82 HydrophobicContact CG1-CB 3.97Å; V61-I82 HydrophobicContact CG1-CG2 3.53Å; V61-I82 HydrophobicContact CG2-CG2 3.75Å; G78-I82 VanDerWaalsContact O-CG1 3.31Å; G78-I82 WeakPolarHBondContact O-CG1 3.36Å; G78-I82 PolarHBondContact O-N 3.33Å; G78-I82 VanDerWaalsContact O-N 3.12Å; M79-I82 PolarHBondContact O-N 3.47Å; V80-I82 PolarHBondContact O-N 3.38Å; I82-I84 VanDerWaalsContact C-N 3.34Å; I82-I84 PolarHBondContact O-N 2.9Å; I82-F85 PolarHBondContact O-N 3.45Å; I82-A86 PolarHBondContact O-N 2.96Å
83	L	93	Very high	92.1	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-39	177.2	-71	169.1	0	0	0	112.3	I5 P6 M9 I58 V61 M79 V80 L81 F85 A86 E87	I5-L83 HydrophobicContact CG2-CD1 4.42Å; P6-L83 HydrophobicContact CB-CD1 4.34Å; P6-L83 HydrophobicContact CG-CD1 3.95Å; M9-L83 HydrophobicContact CE-CB 4.37Å; M9-L83 HydrophobicContact SD-CB 3.55Å; M9-L83 VanDerWaalsContact SD-CB 3.55Å; M9-L83 HydrophobicContact SD-CD1 4.01Å; M9-L83 HydrophobicContact SD-CG 4.31Å; I58-L83 HydrophobicContact CB-CD2 4.34Å; I58-L83 HydrophobicContact CG1-CD2 4.31Å; I58-L83 HydrophobicContact CG2-CD2 4Å; V61-L83 HydrophobicContact CB-CD2 4.15Å; V61-L83 HydrophobicContact CG1-CD2 3.84Å; V61-L83 HydrophobicContact CG1-CG 4.05Å; M79-L83 HydrophobicContact CE-CD1 4.42Å; M79-L83 HydrophobicContact CG-CD1 3.95Å; M79-L83 HydrophobicContact CG-CG 4.45Å; M79-L83 VanDerWaalsContact O-CG 3.28Å; M79-L83 WeakPolarHBondContact O-CG 3.49Å; M79-L83 PolarHBondContact O-N 2.96Å; V80-L83 PolarHBondContact O-N 3.47Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 3.35Å; L83-F85 VanDerWaalsContact C-N 3.35Å; L83-F85 PolarHBondContact O-N 3.45Å; L83-A86 PolarHBondContact O-N 3.44Å; L83-E87 WeakPolarHBondContact O-CB 3.25Å; L83-E87 PolarHBondContact O-N 3.45Å
84	I	94.1	Very high	92.3	Very high	79 Å²	79	63.3 Å²	63.3	41%	0.405	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-44.3	175.4	-67.7	165	0	0	0	110.7	M9 V80 L81 I82 A86 E87 V88	M9-I84 HydrophobicContact CE-CG1 4.1Å; V80-I84 HydrophobicContact CG1-CD1 4.05Å; V80-I84 WeakPolarHBondContact O-CG1 3.39Å; V80-I84 PolarHBondContact O-N 3.18Å; L81-I84 PolarHBondContact O-N 2.97Å; I82-I84 VanDerWaalsContact C-N 3.34Å; I82-I84 PolarHBondContact O-N 2.9Å; I84-A86 VanDerWaalsContact C-N 3.31Å; I84-A86 PolarHBondContact O-N 2.84Å; I84-E87 WeakPolarHBondContact O-CB 3.41Å; I84-E87 PolarHBondContact O-N 3.36Å; I84-V88 VanDerWaalsContact O-CG2 3.32Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.32Å; I84-V88 VanDerWaalsContact O-N 3.08Å
85	F	93.8	Very high	92.6	Very high	142 Å²	142	57.5 Å²	57.5	62%	0.623	30%	0.3	S	S	*	.	H	α-helix	trans	-64.1	-35.8	176.5	-76.4	-66.8	0	0	0	112.9	L81 I82 L83	L81-F85 HydrophobicContact CD1-CD2 4.47Å; L81-F85 HydrophobicContact CD1-CE2 3.86Å; L81-F85 HydrophobicContact CG-CD2 4.31Å; L81-F85 HydrophobicContact CG-CE2 3.92Å; L81-F85 WeakPolarHBondContact O-CD2 3.45Å; L81-F85 PolarHBondContact O-N 3.47Å; I82-F85 PolarHBondContact O-N 3.45Å; L83-F85 VanDerWaalsContact C-N 3.35Å; L83-F85 PolarHBondContact O-N 3.45Å
86	A	93.1	Very high	92.8	Very high	9 Å²	9	56.6 Å²	56.6	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-68.2	-36.6	174.1	0	0	0	0	0	112.1	A57 I58 I82 L83 I84 L89	A57-A86 HydrophobicContact CB-CB 3.95Å; I58-A86 HydrophobicContact CG1-CB 3.82Å; I82-A86 PolarHBondContact O-N 2.96Å; L83-A86 PolarHBondContact O-N 3.44Å; I84-A86 VanDerWaalsContact C-N 3.31Å; I84-A86 PolarHBondContact O-N 2.84Å; A86-L89 WeakPolarHBondContact O-CB 3.32Å; A86-L89 PolarHBondContact O-N 3.32Å
87	E	93.2	Very high	92.9	Very high	27 Å²	27	54.7 Å²	54.7	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-38.5	178.2	-171.9	-179.6	167.1	0	0	112.4	Y16 I58 L83 I84 L89 G90 L91	Y16-E87 PolarHBondContact OH-OE1 2.89Å; I58-E87 HydrophobicContact CD1-CB 4.46Å; L83-E87 WeakPolarHBondContact O-CB 3.25Å; L83-E87 PolarHBondContact O-N 3.45Å; I84-E87 WeakPolarHBondContact O-CB 3.41Å; I84-E87 PolarHBondContact O-N 3.36Å; E87-L89 PolarHBondContact O-N 2.94Å; E87-L89 VanDerWaalsContact O-N 3.13Å; E87-G90 PolarHBondContact O-N 3.36Å; E87-L91 PolarHBondContact O-N 3.44Å
88	V	94.6	Very high	93	Very high	39 Å²	39	52.3 Å²	52.3	24%	0.236	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-27.2	178.8	172.6	0	0	0	0	112.3	I84 G90 L91 Y92	I84-V88 VanDerWaalsContact O-CG2 3.32Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.32Å; I84-V88 VanDerWaalsContact O-N 3.08Å; V88-G90 VanDerWaalsContact C-N 3.3Å; V88-G90 PolarHBondContact O-N 2.71Å; V88-L91 WeakPolarHBondContact O-CB 3.39Å; V88-L91 PolarHBondContact O-N 2.98Å; V88-Y92 HydrophobicContact CG1-CD1 4.15Å; V88-Y92 HydrophobicContact CG1-CD2 4.23Å; V88-Y92 HydrophobicContact CG1-CE1 3.55Å; V88-Y92 HydrophobicContact CG1-CE2 3.65Å; V88-Y92 HydrophobicContact CG1-CG 4.46Å; V88-Y92 WeakPolarHBondContact CG1-OH 3.38Å; V88-Y92 PolarHBondContact O-N 3.23Å
89	L	92.7	Very high	93.1	Very high	81 Å²	81	55 Å²	55	42%	0.424	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-39	173.5	-61.6	174.5	0	0	0	112.3	A54 A86 E87	A54-L89 HydrophobicContact CB-CB 4.03Å; A86-L89 WeakPolarHBondContact O-CB 3.32Å; A86-L89 PolarHBondContact O-N 3.32Å; E87-L89 PolarHBondContact O-N 2.94Å; E87-L89 VanDerWaalsContact O-N 3.13Å
90	G	92.8	Very high	93	Very high	1 Å²	1	57 Å²	57	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-72	-37.4	175.7	0	0	0	0	0	112.2	E87 V88 Y92 G93 L94	E87-G90 PolarHBondContact O-N 3.36Å; V88-G90 VanDerWaalsContact C-N 3.3Å; V88-G90 PolarHBondContact O-N 2.71Å; G90-Y92 VanDerWaalsContact C-N 3.33Å; G90-Y92 PolarHBondContact O-N 3.36Å; G90-G93 PolarHBondContact O-N 2.8Å; G90-L94 PolarHBondContact O-N 2.97Å; G90-L94 VanDerWaalsContact O-N 3.09Å
91	L	94.1	Very high	92.5	Very high	55 Å²	55	56.2 Å²	56.2	29%	0.288	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-38.2	174.9	-77.6	172.9	0	0	0	112.5	Y16 E87 V88 G93 L94 I95	Y16-L91 HydrophobicContact CE1-CD2 3.84Å; Y16-L91 HydrophobicContact CE2-CD2 3.76Å; Y16-L91 HydrophobicContact CE2-CG 3.9Å; Y16-L91 VanDerWaalsContact OH-CD2 3.24Å; Y16-L91 WeakPolarHBondContact OH-CD2 3.44Å; E87-L91 PolarHBondContact O-N 3.44Å; V88-L91 WeakPolarHBondContact O-CB 3.39Å; V88-L91 PolarHBondContact O-N 2.98Å; L91-G93 VanDerWaalsContact C-N 3.34Å; L91-G93 PolarHBondContact O-N 2.97Å; L91-L94 HydrophobicContact CD2-CD2 4.39Å; L91-L94 WeakPolarHBondContact O-CB 3.5Å; L91-L94 PolarHBondContact O-N 3.48Å; L91-I95 VanDerWaalsContact O-CG1 3.32Å; L91-I95 WeakPolarHBondContact O-CG1 3.26Å; L91-I95 PolarHBondContact O-N 2.57Å
92	Y	94.4	Very high	91.9	Very high	145 Å²	145	57.5 Å²	57.5	57%	0.569	30%	0.297	S	S	*	.	H	α-helix	trans	-61.7	-42	175.7	-67.2	-26.1	0	0	0	112.4	V88 G90 I95 V96	V88-Y92 HydrophobicContact CG1-CD1 4.15Å; V88-Y92 HydrophobicContact CG1-CD2 4.23Å; V88-Y92 HydrophobicContact CG1-CE1 3.55Å; V88-Y92 HydrophobicContact CG1-CE2 3.65Å; V88-Y92 HydrophobicContact CG1-CG 4.46Å; V88-Y92 WeakPolarHBondContact CG1-OH 3.38Å; V88-Y92 PolarHBondContact O-N 3.23Å; G90-Y92 VanDerWaalsContact C-N 3.33Å; G90-Y92 PolarHBondContact O-N 3.36Å; Y92-I95 PolarHBondContact O-N 2.82Å; Y92-V96 WeakPolarHBondContact O-CG2 3.49Å; Y92-V96 PolarHBondContact O-N 3.43Å; Y92-V96 VanDerWaalsContact O-N 3.08Å
93	G	92.7	Very high	90.7	Very high	6 Å²	6	61.7 Å²	61.7	6%	0.062	31%	0.312	C	S	.	.	H	α-helix	trans	-61.8	-44.3	174.3	0	0	0	0	0	112.9	S50 G90 L91 I95 V96 A97	S50-G93 VanDerWaalsContact OG-CA 3.32Å; S50-G93 WeakPolarHBondContact OG-CA 3.48Å; G90-G93 PolarHBondContact O-N 2.8Å; L91-G93 VanDerWaalsContact C-N 3.34Å; L91-G93 PolarHBondContact O-N 2.97Å; G93-I95 PolarHBondContact O-N 2.99Å; G93-V96 PolarHBondContact O-N 3.49Å; G93-A97 PolarHBondContact O-N 2.9Å
94	L	93.3	Very high	90.5	Very high	21 Å²	21	64.8 Å²	64.8	11%	0.11	33%	0.328	C	S	.	.	H	α-helix	trans	-57.7	-47.7	175.9	177	64.4	0	0	0	111.9	Y16 V20 G90 L91 V96 A97 L98	Y16-L94 HydrophobicContact CD1-CD2 3.58Å; Y16-L94 HydrophobicContact CE1-CD2 4.09Å; Y16-L94 HydrophobicContact CG-CD2 3.94Å; V20-L94 HydrophobicContact CG2-CD1 3.44Å; V20-L94 VanDerWaalsContact CG2-CD1 3.44Å; G90-L94 PolarHBondContact O-N 2.97Å; G90-L94 VanDerWaalsContact O-N 3.09Å; L91-L94 HydrophobicContact CD2-CD2 4.39Å; L91-L94 WeakPolarHBondContact O-CB 3.5Å; L91-L94 PolarHBondContact O-N 3.48Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-V96 PolarHBondContact O-N 2.95Å; L94-A97 PolarHBondContact O-N 3.44Å; L94-L98 HydrophobicContact CD1-CD1 4.16Å; L94-L98 HydrophobicContact CD1-CG 4.19Å; L94-L98 HydrophobicContact CG-CD1 4.02Å; L94-L98 HydrophobicContact CG-CG 4.44Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 2.94Å
95	I	94.1	Very high	90.4	Very high	89 Å²	89	64 Å²	64	46%	0.456	32%	0.324	S	S	.	.	H	α-helix	trans	-61	-44.3	179.7	-67.8	165	0	0	0	110.6	L91 Y92 G93 A97 L98 I99	L91-I95 VanDerWaalsContact O-CG1 3.32Å; L91-I95 WeakPolarHBondContact O-CG1 3.26Å; L91-I95 PolarHBondContact O-N 2.57Å; Y92-I95 PolarHBondContact O-N 2.82Å; G93-I95 PolarHBondContact O-N 2.99Å; I95-A97 PolarHBondContact O-N 2.87Å; I95-L98 PolarHBondContact O-N 3.01Å; I95-I99 HydrophobicContact CG2-CD1 3.82Å; I95-I99 HydrophobicContact CG2-CG1 4.47Å; I95-I99 VanDerWaalsContact O-CG1 3.29Å; I95-I99 WeakPolarHBondContact O-CG1 3.43Å; I95-I99 PolarHBondContact O-N 3.06Å
96	V	93.6	Very high	90.2	Very high	72 Å²	72	59.7 Å²	59.7	44%	0.436	31%	0.307	S	S	.	.	H	α-helix	trans	-60.5	-46.1	177.5	171.9	0	0	0	0	110.9	Y92 G93 L94 L98 I99 M100	Y92-V96 WeakPolarHBondContact O-CG2 3.49Å; Y92-V96 PolarHBondContact O-N 3.43Å; Y92-V96 VanDerWaalsContact O-N 3.08Å; G93-V96 PolarHBondContact O-N 3.49Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-V96 PolarHBondContact O-N 2.95Å; V96-L98 PolarHBondContact O-N 2.93Å; V96-I99 PolarHBondContact O-N 3.49Å; V96-M100 HydrophobicContact CG1-SD 4.15Å; V96-M100 WeakPolarHBondContact O-CG 3.33Å; V96-M100 PolarHBondContact O-N 3.29Å
97	A	91.7	Very high	90	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-38.2	178	0	0	0	0	0	113.3	V20 A43 V47 G93 L94 I95 M100 S101	V20-A97 HydrophobicContact CG1-CB 4.12Å; V20-A97 HydrophobicContact CG2-CB 4.04Å; A43-A97 HydrophobicContact CB-CB 4.07Å; A43-A97 WeakPolarHBondContact O-CB 3.3Å; V47-A97 HydrophobicContact CG2-CB 3.18Å; G93-A97 PolarHBondContact O-N 2.9Å; L94-A97 PolarHBondContact O-N 3.44Å; I95-A97 PolarHBondContact O-N 2.87Å; A97-M100 PolarHBondContact O-N 3.19Å; A97-S101 WeakPolarHBondContact O-CB 3.35Å; A97-S101 PolarHBondContact O-N 3.38Å
98	L	91.7	Very high	89.8	Confident	62 Å²	62	64.9 Å²	64.9	33%	0.325	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-39.5	175.2	-71.2	173.6	0	0	0	111.9	L23 L94 I95 V96 S101 T102	L23-L98 HydrophobicContact CD1-CD2 3.42Å; L23-L98 VanDerWaalsContact CD1-CD2 3.42Å; L94-L98 HydrophobicContact CD1-CD1 4.16Å; L94-L98 HydrophobicContact CD1-CG 4.19Å; L94-L98 HydrophobicContact CG-CD1 4.02Å; L94-L98 HydrophobicContact CG-CG 4.44Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 2.94Å; I95-L98 PolarHBondContact O-N 3.01Å; V96-L98 PolarHBondContact O-N 2.93Å; L98-S101 PolarHBondContact O-N 3.25Å; L98-T102 WeakPolarHBondContact O-CB 3.44Å; L98-T102 PolarHBondContact O-N 3.31Å; L98-T102 PolarHBondContact O-OG1 2.9Å
99	I	92	Very high	89.5	Confident	92 Å²	92	66.6 Å²	66.6	47%	0.472	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-41.6	175.1	-67.7	166.9	0	0	0	110.6	I95 V96 S101 T102 K103	I95-I99 HydrophobicContact CG2-CD1 3.82Å; I95-I99 HydrophobicContact CG2-CG1 4.47Å; I95-I99 VanDerWaalsContact O-CG1 3.29Å; I95-I99 WeakPolarHBondContact O-CG1 3.43Å; I95-I99 PolarHBondContact O-N 3.06Å; V96-I99 PolarHBondContact O-N 3.49Å; I99-S101 VanDerWaalsContact C-N 3.32Å; I99-T102 PolarHBondContact O-N 3.25Å; I99-K103 PolarHBondContact O-N 3.39Å
100	M	88.3	Confident	89.2	Confident	49 Å²	49	65.6 Å²	65.6	24%	0.241	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-39.3	174.8	-70.6	-178.1	73.3	0	0	111.3	N39 A43 V96 A97 K103	N39-M100 PolarHBondContact ND2-O 3.29Å; N39-M100 WeakPolarHBondContact O-CE 3.31Å; N39-M100 VanDerWaalsContact OD1-CE 3.25Å; N39-M100 WeakPolarHBondContact OD1-CE 3.33Å; A43-M100 HydrophobicContact CB-CB 3.96Å; V96-M100 HydrophobicContact CG1-SD 4.15Å; V96-M100 WeakPolarHBondContact O-CG 3.33Å; V96-M100 PolarHBondContact O-N 3.29Å; A97-M100 PolarHBondContact O-N 3.19Å; M100-K103 PolarHBondContact O-N 3.22Å
101	S	82.6	Confident	89	Confident	19 Å²	19	70.5 Å²	70.5	13%	0.133	36%	0.358	C	S	.	.	H	α-helix	trans	-75.4	-25.7	179.9	-172.8	0	0	0	0	113.8	R27 A97 L98 I99 K103	R27-S101 VanDerWaalsContact NH1-CA 3.26Å; R27-S101 PolarHBondContact NH1-O 3.03Å; R27-S101 PolarHBondContact NH1-OG 3.49Å; R27-S101 PolarHBondContact NH2-O 3.14Å; A97-S101 WeakPolarHBondContact O-CB 3.35Å; A97-S101 PolarHBondContact O-N 3.38Å; L98-S101 PolarHBondContact O-N 3.25Å; I99-S101 VanDerWaalsContact C-N 3.32Å; S101-K103 PolarHBondContact O-N 3.2Å
102	T	81.3	Confident	88.5	Confident	125 Å²	125	71.8 Å²	71.8	77%	0.767	36%	0.364	S	S	*	.	H	α-helix	trans	-75.2	-16.4	175.1	-53.4	0	0	0	0	112	L98 I99	L98-T102 WeakPolarHBondContact O-CB 3.44Å; L98-T102 PolarHBondContact O-N 3.31Å; L98-T102 PolarHBondContact O-OG1 2.9Å; I99-T102 PolarHBondContact O-N 3.25Å
103	K	66.8	Low	88	Confident	181 Å²	181	65.2 Å²	65.2	79%	0.787	35%	0.345	S	S	*	.			trans	-92.5	0	172.3	-66.1	-175.1	-175.6	-177.1	0	111.4	R27 I99 M100 S101	R27-K103 PolarHBondContact NH2-OXT 3.09Å; I99-K103 PolarHBondContact O-N 3.39Å; M100-K103 PolarHBondContact O-N 3.22Å; S101-K103 PolarHBondContact O-N 3.2Å

Retrieved 103 of 103 residues in 70.3 ms (Link to these results)

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