A0A5K4F9I8_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F9I8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 80 aa.

						>A0A5K4F9I8_SCHMA|A0A5K4F9I8
MLTWSSVSCSCTPVITQSNTINNEAKLFFKKFILIHRFINVLRKFIVLELIRFFKHKGEVNNNKKLHAMSISLYLNICVM
					

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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	47.3	Very low	46.7	Very low	242 Å²	242	138.3 Å²	138.3	100%	1.192	80%	0.804	S	S	*	*				0	91.4	0	-159.7	165.4	169.7	0	0	106.5	T3	M1-T3 PolarHBondContact O-N 3.49Å
2	L	45.6	Very low	47.1	Very low	165 Å²	165	137.3 Å²	137.3	86%	0.864	80%	0.801	S	S	*	*			trans	-75.5	124	-172.5	-76.7	162.9	0	0	0	109.4	W4	L2-W4 PolarHBondContact O-N 3.37Å
3	T	47.5	Very low	47.3	Very low	127 Å²	127	133.9 Å²	133.9	78%	0.779	79%	0.786	S	S	*	*			trans	-76.3	106.5	179.9	47.1	0	0	0	0	109.9	M1	M1-T3 PolarHBondContact O-N 3.49Å
4	W	48.1	Very low	47.9	Very low	226 Å²	226	132.5 Å²	132.5	86%	0.856	78%	0.78	S	S	*	*			trans	-99.4	81.1	165.2	-79.1	5.3	0	0	0	108.9	L2 S6	L2-W4 PolarHBondContact O-N 3.37Å; W4-S6 PolarHBondContact O-N 3.35Å
5	S	45.8	Very low	48.2	Very low	125 Å²	125	132.6 Å²	132.6	87%	0.874	77%	0.773	S	S	*	*			trans	-93.7	72.8	158.8	-61.4	0	0	0	0	107.3
6	S	47.1	Very low	48.5	Very low	81 Å²	81	130.4 Å²	130.4	57%	0.566	76%	0.762	S	S	*	*			trans	-81.7	142.7	171.3	-40.7	0	0	0	0	108.7	W4	W4-S6 PolarHBondContact O-N 3.35Å
7	V	45.2	Very low	48.7	Very low	136 Å²	136	130.7 Å²	130.7	82%	0.824	76%	0.755	S	S	*	*			trans	80.8	99.6	155.7	-161.6	0	0	0	0	117.2
8	S	46.8	Very low	49.1	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	73%	0.733	S	S	*	*				-147.2	75.4	126.7	61.4	0	0	0	0	109	S10	S8-S10 VanDerWaalsContact C-N 3.25Å; S8-S10 PolarHBondContact O-N 3.11Å; S8-S10 VanDerWaalsContact O-N 3.11Å
9	C	45.1	Very low	49.5	Very low	108 Å²	108	124.4 Å²	124.4	73%	0.73	72%	0.72	S	S	*	*			trans	-78.1	86.4	162.5	-143.4	0	0	0	0	106.3	C11	C9-C11 PolarHBondContact O-N 3.39Å; C9-C11 PolarHBondContact SG-SG 2.84Å
10	S	48.8	Very low	50.1	Low	111 Å²	111	121.8 Å²	121.8	78%	0.776	71%	0.706	S	S	*	*			trans	-71.9	66.3	172.5	39.6	0	0	0	0	109.8	S8 T12	S8-S10 VanDerWaalsContact C-N 3.25Å; S8-S10 PolarHBondContact O-N 3.11Å; S8-S10 VanDerWaalsContact O-N 3.11Å; S10-T12 PolarHBondContact O-N 3.42Å
11	C	46.7	Very low	50.8	Low	92 Å²	92	120.7 Å²	120.7	62%	0.622	70%	0.696	S	S	*	*			trans	-94.5	63.1	172.6	-64	0	0	0	0	109.9	C9	C9-C11 PolarHBondContact O-N 3.39Å; C9-C11 PolarHBondContact SG-SG 2.84Å
12	T	51.4	Low	51.9	Low	126 Å²	126	113.2 Å²	113.2	77%	0.773	66%	0.661	S	S	*	*			trans	-138.2	72.6	164.5	54.3	0	0	0	0	112.4	S10	S10-T12 PolarHBondContact O-N 3.42Å
13	P	50	Low	53.3	Low	94 Å²	94	110 Å²	110	61%	0.61	65%	0.645	S	S	*	*			trans	-99.7	53.8	157.3	38.3	-30.4	0	0	0	109.8
14	V	55	Low	54.8	Low	114 Å²	114	109.2 Å²	109.2	69%	0.691	63%	0.632	S	S	*	*			trans	-101.4	-16.2	179.6	-175.8	0	0	0	0	112.6
15	I	52.4	Low	56.4	Low	134 Å²	134	101.1 Å²	101.1	69%	0.687	61%	0.614	S	S	*	*	H	α-helix	trans	-91.2	-27.8	-175.9	-56.5	177.4	0	0	0	112.3	S18	I15-S18 PolarHBondContact O-OG 3.07Å
16	T	52.9	Low	58	Low	97 Å²	97	101.5 Å²	101.5	60%	0.595	60%	0.6	S	S	*	*	H	α-helix	trans	-72.3	-36.5	-179.3	4.7	0	0	0	0	113	N19 T20	T16-N19 PolarHBondContact O-N 2.97Å; T16-T20 PolarHBondContact O-N 3.41Å; T16-T20 VanDerWaalsContact O-N 3.15Å; T16-T20 PolarHBondContact O-OG1 3.47Å
17	Q	52.3	Low	59.7	Low	136 Å²	136	102.1 Å²	102.1	64%	0.636	60%	0.596	S	S	*	*	H	α-helix	trans	-69.6	-39.3	-173.6	-147.7	175.3	25.6	0	0	112.6	N19 T20 I21	Q17-N19 PolarHBondContact O-N 3.38Å; Q17-T20 PolarHBondContact O-N 3.48Å; Q17-I21 HydrophobicContact CG-CD1 4.32Å; Q17-I21 WeakPolarHBondContact O-CD1 3.49Å; Q17-I21 VanDerWaalsContact O-CG1 3.26Å; Q17-I21 WeakPolarHBondContact O-CG1 3.33Å; Q17-I21 PolarHBondContact O-N 3.41Å
18	S	55.3	Low	61.5	Low	53 Å²	53	102.5 Å²	102.5	37%	0.371	59%	0.587	S	S	.	*	H	α-helix	trans	-63.8	-40.1	177	68.3	0	0	0	0	112.2	I15 I21 N22	I15-S18 PolarHBondContact O-OG 3.07Å; S18-I21 PolarHBondContact O-N 3.28Å; S18-N22 VanDerWaalsContact O-CB 3.24Å; S18-N22 WeakPolarHBondContact O-CB 3.26Å; S18-N22 PolarHBondContact O-N 2.97Å; S18-N22 PolarHBondContact O-ND2 3.28Å; S18-N22 VanDerWaalsContact O-ND2 3.07Å
19	N	58.3	Low	63.3	Low	89 Å²	89	103.7 Å²	103.7	48%	0.476	58%	0.579	S	S	.	*	H	α-helix	trans	-65.2	-39.9	176.1	-75.1	-17.8	0	0	0	111.7	T16 Q17 N23	T16-N19 PolarHBondContact O-N 2.97Å; Q17-N19 PolarHBondContact O-N 3.38Å; N19-N23 WeakPolarHBondContact O-CB 3.44Å; N19-N23 PolarHBondContact O-N 3.15Å; N19-N23 PolarHBondContact O-ND2 3.1Å; N19-N23 PolarHBondContact O-OD1 2.93Å
20	T	61.6	Low	65.2	Low	71 Å²	71	105.1 Å²	105.1	44%	0.436	57%	0.573	S	S	.	*	H	α-helix	trans	-65.6	-47.3	176.5	-45.9	0	0	0	0	111.6	T16 Q17 N22 N23 E24	T16-T20 PolarHBondContact O-N 3.41Å; T16-T20 VanDerWaalsContact O-N 3.15Å; T16-T20 PolarHBondContact O-OG1 3.47Å; Q17-T20 PolarHBondContact O-N 3.48Å; T20-N22 VanDerWaalsContact C-N 3.33Å; T20-N22 PolarHBondContact O-N 2.97Å; T20-N23 PolarHBondContact O-N 3.04Å; T20-N23 VanDerWaalsContact O-N 3.1Å; T20-E24 WeakPolarHBondContact O-CG 3.24Å; T20-E24 PolarHBondContact O-N 3.19Å
21	I	64	Low	67.1	Low	99 Å²	99	105.4 Å²	105.4	51%	0.508	56%	0.56	S	S	.	*	H	α-helix	trans	-61.2	-43.6	178.2	-63.6	162.7	0	0	0	110.6	Q17 S18 N23 E24 A25	Q17-I21 HydrophobicContact CG-CD1 4.32Å; Q17-I21 WeakPolarHBondContact O-CD1 3.49Å; Q17-I21 VanDerWaalsContact O-CG1 3.26Å; Q17-I21 WeakPolarHBondContact O-CG1 3.33Å; Q17-I21 PolarHBondContact O-N 3.41Å; S18-I21 PolarHBondContact O-N 3.28Å; I21-N23 VanDerWaalsContact C-N 3.28Å; I21-N23 PolarHBondContact O-N 3.35Å; I21-E24 PolarHBondContact O-N 3.48Å; I21-A25 WeakPolarHBondContact O-CB 3.43Å; I21-A25 PolarHBondContact O-N 2.9Å
22	N	70.8	Confident	69	Low	85 Å²	85	107.1 Å²	107.1	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-62.5	-36.5	176.7	-72.7	-25.2	0	0	0	111.9	S18 T20 K26	S18-N22 VanDerWaalsContact O-CB 3.24Å; S18-N22 WeakPolarHBondContact O-CB 3.26Å; S18-N22 PolarHBondContact O-N 2.97Å; S18-N22 PolarHBondContact O-ND2 3.28Å; S18-N22 VanDerWaalsContact O-ND2 3.07Å; T20-N22 VanDerWaalsContact C-N 3.33Å; T20-N22 PolarHBondContact O-N 2.97Å; N22-K26 VanDerWaalsContact O-CB 3.3Å; N22-K26 WeakPolarHBondContact O-CB 3.14Å; N22-K26 WeakPolarHBondContact O-CD 3.31Å; N22-K26 WeakPolarHBondContact O-CG 3.5Å; N22-K26 PolarHBondContact O-N 3.33Å
23	N	75.1	Confident	70.8	Confident	98 Å²	98	104.2 Å²	104.2	52%	0.524	54%	0.536	S	S	.	.	H	α-helix	trans	-72.5	-40.4	177.7	-71.2	-17.9	0	0	0	111.9	N19 T20 I21 K26 L27	N19-N23 WeakPolarHBondContact O-CB 3.44Å; N19-N23 PolarHBondContact O-N 3.15Å; N19-N23 PolarHBondContact O-ND2 3.1Å; N19-N23 PolarHBondContact O-OD1 2.93Å; T20-N23 PolarHBondContact O-N 3.04Å; T20-N23 VanDerWaalsContact O-N 3.1Å; I21-N23 VanDerWaalsContact C-N 3.28Å; I21-N23 PolarHBondContact O-N 3.35Å; N23-K26 PolarHBondContact O-N 2.87Å; N23-L27 WeakPolarHBondContact O-CB 3.42Å; N23-L27 PolarHBondContact O-N 2.97Å
24	E	77.9	Confident	72.6	Confident	110 Å²	110	105.5 Å²	105.5	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-63.3	-49.5	174.7	-73.1	-176.5	-176	0	0	111.1	T20 I21 K26 L27 F28	T20-E24 WeakPolarHBondContact O-CG 3.24Å; T20-E24 PolarHBondContact O-N 3.19Å; I21-E24 PolarHBondContact O-N 3.48Å; E24-K26 VanDerWaalsContact C-N 3.31Å; E24-K26 PolarHBondContact O-N 3.02Å; E24-L27 WeakPolarHBondContact O-CA 3.4Å; E24-L27 WeakPolarHBondContact O-CB 3.48Å; E24-L27 PolarHBondContact O-N 2.85Å; E24-F28 WeakPolarHBondContact O-CD2 3.32Å; E24-F28 PolarHBondContact O-N 3.43Å
25	A	81.4	Confident	74.1	Confident	57 Å²	57	104.7 Å²	104.7	47%	0.471	53%	0.528	S	S	.	.	H	α-helix	trans	-58.8	-41.9	176.8	0	0	0	0	0	111.9	I21 L27 F28 F29	I21-A25 WeakPolarHBondContact O-CB 3.43Å; I21-A25 PolarHBondContact O-N 2.9Å; A25-L27 VanDerWaalsContact C-N 3.33Å; A25-L27 PolarHBondContact O-N 3.37Å; A25-F28 PolarHBondContact O-N 3.46Å; A25-F29 WeakPolarHBondContact O-CB 3.39Å; A25-F29 PolarHBondContact O-N 2.9Å
26	K	81	Confident	75.6	Confident	132 Å²	132	102.8 Å²	102.8	57%	0.574	52%	0.516	S	S	*	.	H	α-helix	trans	-62.2	-39.1	173.5	-78.3	172.2	-176.4	175.7	0	112.2	N22 N23 E24 K30	N22-K26 VanDerWaalsContact O-CB 3.3Å; N22-K26 WeakPolarHBondContact O-CB 3.14Å; N22-K26 WeakPolarHBondContact O-CD 3.31Å; N22-K26 WeakPolarHBondContact O-CG 3.5Å; N22-K26 PolarHBondContact O-N 3.33Å; N23-K26 PolarHBondContact O-N 2.87Å; E24-K26 VanDerWaalsContact C-N 3.31Å; E24-K26 PolarHBondContact O-N 3.02Å; K26-K30 WeakPolarHBondContact O-CB 3.3Å; K26-K30 VanDerWaalsContact O-CG 3.31Å; K26-K30 WeakPolarHBondContact O-CG 3.42Å; K26-K30 PolarHBondContact O-N 2.91Å
27	L	81.9	Confident	77.2	Confident	94 Å²	94	106.5 Å²	106.5	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-43.2	177.3	-169.3	72.5	0	0	0	111.2	N23 E24 A25 K30 K31	N23-L27 WeakPolarHBondContact O-CB 3.42Å; N23-L27 PolarHBondContact O-N 2.97Å; E24-L27 WeakPolarHBondContact O-CA 3.4Å; E24-L27 WeakPolarHBondContact O-CB 3.48Å; E24-L27 PolarHBondContact O-N 2.85Å; A25-L27 VanDerWaalsContact C-N 3.33Å; A25-L27 PolarHBondContact O-N 3.37Å; L27-K30 PolarHBondContact O-N 3.22Å; L27-K31 WeakPolarHBondContact O-CG 3.44Å; L27-K31 PolarHBondContact O-N 3.46Å
28	F	83.6	Confident	78.8	Confident	144 Å²	144	106.3 Å²	106.3	63%	0.632	52%	0.516	S	S	*	.	H	α-helix	trans	-59.8	-46.6	173.7	-81.7	-72.3	0	0	0	111.5	E24 A25 K30 K31 F32	E24-F28 WeakPolarHBondContact O-CD2 3.32Å; E24-F28 PolarHBondContact O-N 3.43Å; A25-F28 PolarHBondContact O-N 3.46Å; F28-K30 PolarHBondContact O-N 2.95Å; F28-K31 PolarHBondContact O-N 3.4Å; F28-F32 WeakPolarHBondContact O-CB 3.16Å; F28-F32 PolarHBondContact O-N 3.41Å
29	F	83.4	Confident	80.2	Confident	134 Å²	134	108 Å²	108	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-63.9	-40.9	179.1	-162.2	-105.3	0	0	0	112.2	A25 F32 I33	A25-F29 WeakPolarHBondContact O-CB 3.39Å; A25-F29 PolarHBondContact O-N 2.9Å; F29-F32 PolarHBondContact O-N 2.94Å; F29-I33 HydrophobicContact CD1-CD1 3.51Å; F29-I33 HydrophobicContact CD1-CG1 4.29Å; F29-I33 HydrophobicContact CE1-CD1 3.43Å; F29-I33 VanDerWaalsContact CE1-CD1 3.43Å; F29-I33 HydrophobicContact CE1-CG1 4.18Å; F29-I33 HydrophobicContact CG-CD1 4.46Å; F29-I33 HydrophobicContact CZ-CD1 4.3Å; F29-I33 WeakPolarHBondContact O-CG1 3.33Å; F29-I33 PolarHBondContact O-N 3.44Å
30	K	86	Confident	81.4	Confident	138 Å²	138	106.5 Å²	106.5	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-60.9	-45.2	173.2	-77.6	178.2	179.5	-177.1	0	112	K26 L27 F28 I33 L34	K26-K30 WeakPolarHBondContact O-CB 3.3Å; K26-K30 VanDerWaalsContact O-CG 3.31Å; K26-K30 WeakPolarHBondContact O-CG 3.42Å; K26-K30 PolarHBondContact O-N 2.91Å; L27-K30 PolarHBondContact O-N 3.22Å; F28-K30 PolarHBondContact O-N 2.95Å; K30-I33 PolarHBondContact O-N 3.35Å; K30-L34 PolarHBondContact O-N 3.06Å
31	K	87.3	Confident	82.5	Confident	116 Å²	116	107.7 Å²	107.7	50%	0.504	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-42.7	176	-74.8	179.9	178.2	-179.4	0	111.5	L27 F28 L34 I35	L27-K31 WeakPolarHBondContact O-CG 3.44Å; L27-K31 PolarHBondContact O-N 3.46Å; F28-K31 PolarHBondContact O-N 3.4Å; K31-L34 WeakPolarHBondContact O-CB 3.38Å; K31-L34 PolarHBondContact O-N 3.32Å; K31-I35 WeakPolarHBondContact O-CG1 3.3Å; K31-I35 PolarHBondContact O-N 2.83Å
32	F	87.7	Confident	83.4	Confident	129 Å²	129	106.7 Å²	106.7	57%	0.566	52%	0.515	S	S	*	.	H	α-helix	trans	-61.1	-45.8	177	-177.8	-98.3	0	0	0	111.9	F28 F29 L34 I35 H36	F28-F32 WeakPolarHBondContact O-CB 3.16Å; F28-F32 PolarHBondContact O-N 3.41Å; F29-F32 PolarHBondContact O-N 2.94Å; F32-L34 VanDerWaalsContact C-N 3.32Å; F32-L34 PolarHBondContact O-N 3.28Å; F32-I35 PolarHBondContact O-N 2.91Å; F32-H36 VanDerWaalsContact O-CB 3.3Å; F32-H36 WeakPolarHBondContact O-CB 3.38Å; F32-H36 PolarHBondContact O-N 3.44Å
33	I	88.4	Confident	84	Confident	65 Å²	65	106.3 Å²	106.3	33%	0.333	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-41.9	175.8	-69.2	165	0	0	0	111.4	F29 K30 H36 R37	F29-I33 HydrophobicContact CD1-CD1 3.51Å; F29-I33 HydrophobicContact CD1-CG1 4.29Å; F29-I33 HydrophobicContact CE1-CD1 3.43Å; F29-I33 VanDerWaalsContact CE1-CD1 3.43Å; F29-I33 HydrophobicContact CE1-CG1 4.18Å; F29-I33 HydrophobicContact CG-CD1 4.46Å; F29-I33 HydrophobicContact CZ-CD1 4.3Å; F29-I33 WeakPolarHBondContact O-CG1 3.33Å; F29-I33 PolarHBondContact O-N 3.44Å; K30-I33 PolarHBondContact O-N 3.35Å; I33-H36 PolarHBondContact O-N 2.84Å; I33-R37 WeakPolarHBondContact O-CB 3.39Å; I33-R37 WeakPolarHBondContact O-CG 3.45Å; I33-R37 PolarHBondContact O-N 2.96Å
34	L	87.4	Confident	84.3	Confident	120 Å²	120	107.9 Å²	107.9	63%	0.628	51%	0.509	S	S	*	.	H	α-helix	trans	-62.3	-47.4	177.7	-81.5	158.1	0	0	0	111.5	K30 K31 F32 R37 F38	K30-L34 PolarHBondContact O-N 3.06Å; K31-L34 WeakPolarHBondContact O-CB 3.38Å; K31-L34 PolarHBondContact O-N 3.32Å; F32-L34 VanDerWaalsContact C-N 3.32Å; F32-L34 PolarHBondContact O-N 3.28Å; L34-R37 PolarHBondContact O-N 3.25Å; L34-F38 WeakPolarHBondContact O-CB 3.49Å; L34-F38 PolarHBondContact O-N 3.27Å
35	I	87.1	Confident	84.6	Confident	98 Å²	98	108.7 Å²	108.7	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-62.6	-44.5	177.3	-67.2	165.1	0	0	0	110.4	K31 F32 R37 F38 I39	K31-I35 WeakPolarHBondContact O-CG1 3.3Å; K31-I35 PolarHBondContact O-N 2.83Å; F32-I35 PolarHBondContact O-N 2.91Å; I35-R37 PolarHBondContact O-N 2.93Å; I35-F38 WeakPolarHBondContact O-CB 3.22Å; I35-F38 PolarHBondContact O-N 3.02Å; I35-F38 VanDerWaalsContact O-N 3.16Å; I35-I39 HydrophobicContact CG2-CD1 3.71Å; I35-I39 HydrophobicContact CG2-CG1 4.3Å; I35-I39 VanDerWaalsContact O-CG1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.32Å; I35-I39 PolarHBondContact O-N 3.39Å
36	H	84.4	Confident	84.6	Confident	94 Å²	94	110.7 Å²	110.7	44%	0.435	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-42.3	178.4	-173.5	-97.2	0	0	0	112	F32 I33 I39 N40	F32-H36 VanDerWaalsContact O-CB 3.3Å; F32-H36 WeakPolarHBondContact O-CB 3.38Å; F32-H36 PolarHBondContact O-N 3.44Å; I33-H36 PolarHBondContact O-N 2.84Å; H36-I39 PolarHBondContact O-N 3.3Å; H36-N40 PolarHBondContact CE1-ND2 3.29Å; H36-N40 VanDerWaalsContact CE1-ND2 3.28Å; H36-N40 WeakPolarHBondContact O-CB 3.43Å; H36-N40 PolarHBondContact O-N 3.4Å
37	R	85.4	Confident	84.5	Confident	174 Å²	174	104.7 Å²	104.7	66%	0.657	49%	0.487	S	S	*	.	H	α-helix	trans	-62.4	-43.2	173	-77.5	-178.5	176.9	-175	-0.2	111.8	I33 L34 I35 N40 V41	I33-R37 WeakPolarHBondContact O-CB 3.39Å; I33-R37 WeakPolarHBondContact O-CG 3.45Å; I33-R37 PolarHBondContact O-N 2.96Å; L34-R37 PolarHBondContact O-N 3.25Å; I35-R37 PolarHBondContact O-N 2.93Å; R37-N40 PolarHBondContact O-N 3.16Å; R37-V41 WeakPolarHBondContact O-CG2 3.45Å; R37-V41 PolarHBondContact O-N 2.96Å
38	F	86.4	Confident	84.3	Confident	132 Å²	132	104.4 Å²	104.4	58%	0.579	49%	0.486	S	S	*	.	H	α-helix	trans	-62.6	-46.1	178.4	-178.2	-104.4	0	0	0	111.8	L34 I35 N40 V41 L42	L34-F38 WeakPolarHBondContact O-CB 3.49Å; L34-F38 PolarHBondContact O-N 3.27Å; I35-F38 WeakPolarHBondContact O-CB 3.22Å; I35-F38 PolarHBondContact O-N 3.02Å; I35-F38 VanDerWaalsContact O-N 3.16Å; F38-N40 VanDerWaalsContact C-N 3.3Å; F38-N40 PolarHBondContact O-N 3.48Å; F38-V41 PolarHBondContact O-N 2.94Å; F38-L42 HydrophobicContact CD1-CD1 3.82Å; F38-L42 HydrophobicContact CD1-CG 4.39Å; F38-L42 HydrophobicContact CE1-CD1 3.33Å; F38-L42 HydrophobicContact CE1-CG 4.05Å; F38-L42 HydrophobicContact CZ-CD1 3.8Å; F38-L42 HydrophobicContact CZ-CD2 4.35Å; F38-L42 HydrophobicContact CZ-CG 4.14Å; F38-L42 PolarHBondContact O-N 3.19Å
39	I	85.6	Confident	83.9	Confident	89 Å²	89	101.3 Å²	101.3	46%	0.456	47%	0.473	S	S	.	.	H	α-helix	trans	-58.2	-43.8	174.3	-68.7	168.9	0	0	0	110.4	I35 H36 V41 L42 R43	I35-I39 HydrophobicContact CG2-CD1 3.71Å; I35-I39 HydrophobicContact CG2-CG1 4.3Å; I35-I39 VanDerWaalsContact O-CG1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.32Å; I35-I39 PolarHBondContact O-N 3.39Å; H36-I39 PolarHBondContact O-N 3.3Å; I39-V41 VanDerWaalsContact C-N 3.35Å; I39-V41 PolarHBondContact O-N 3.23Å; I39-L42 PolarHBondContact O-N 3.11Å; I39-R43 VanDerWaalsContact O-CB 3.29Å; I39-R43 WeakPolarHBondContact O-CB 3.34Å; I39-R43 PolarHBondContact O-N 2.63Å
40	N	82.9	Confident	83.5	Confident	57 Å²	57	98 Å²	98	31%	0.305	46%	0.461	S	S	.	.	H	α-helix	trans	-65.9	-34.9	178.6	-77.1	-7.1	0	0	0	113.3	H36 R37 F38 K44	H36-N40 PolarHBondContact CE1-ND2 3.29Å; H36-N40 VanDerWaalsContact CE1-ND2 3.28Å; H36-N40 WeakPolarHBondContact O-CB 3.43Å; H36-N40 PolarHBondContact O-N 3.4Å; R37-N40 PolarHBondContact O-N 3.16Å; F38-N40 VanDerWaalsContact C-N 3.3Å; F38-N40 PolarHBondContact O-N 3.48Å; N40-K44 WeakPolarHBondContact O-CG 3.48Å; N40-K44 PolarHBondContact O-N 2.97Å; N40-K44 VanDerWaalsContact O-N 3.11Å
41	V	84.9	Confident	82.8	Confident	96 Å²	96	94.1 Å²	94.1	58%	0.582	45%	0.446	S	S	*	.	H	α-helix	trans	-67.6	-46	173.2	174.8	0	0	0	0	110.6	R37 F38 I39 R43 K44 F45	R37-V41 WeakPolarHBondContact O-CG2 3.45Å; R37-V41 PolarHBondContact O-N 2.96Å; F38-V41 PolarHBondContact O-N 2.94Å; I39-V41 VanDerWaalsContact C-N 3.35Å; I39-V41 PolarHBondContact O-N 3.23Å; V41-R43 VanDerWaalsContact C-N 3.3Å; V41-R43 PolarHBondContact O-N 3.4Å; V41-K44 PolarHBondContact O-N 2.94Å; V41-F45 PolarHBondContact O-N 3.44Å
42	L	82.7	Confident	82.1	Confident	78 Å²	78	95.6 Å²	95.6	41%	0.408	45%	0.449	S	S	.	.	H	α-helix	trans	-59.7	-42.2	176.2	-74.2	179.3	0	0	0	111.9	F38 I39 K44 F45 I46	F38-L42 HydrophobicContact CD1-CD1 3.82Å; F38-L42 HydrophobicContact CD1-CG 4.39Å; F38-L42 HydrophobicContact CE1-CD1 3.33Å; F38-L42 HydrophobicContact CE1-CG 4.05Å; F38-L42 HydrophobicContact CZ-CD1 3.8Å; F38-L42 HydrophobicContact CZ-CD2 4.35Å; F38-L42 HydrophobicContact CZ-CG 4.14Å; F38-L42 PolarHBondContact O-N 3.19Å; I39-L42 PolarHBondContact O-N 3.11Å; L42-K44 VanDerWaalsContact C-N 3.34Å; L42-K44 PolarHBondContact O-N 3.31Å; L42-F45 WeakPolarHBondContact O-CB 3.31Å; L42-F45 PolarHBondContact O-N 3.39Å; L42-F45 VanDerWaalsContact O-N 3.13Å; L42-I46 WeakPolarHBondContact O-CG1 3.37Å; L42-I46 PolarHBondContact O-N 2.83Å
43	R	83.5	Confident	81.2	Confident	77 Å²	77	94.8 Å²	94.8	29%	0.291	45%	0.445	S	S	.	.	H	α-helix	trans	-60.4	-44.6	177.4	-166.6	175.6	-172.2	-156.9	-10.8	111.4	I39 V41 F45 I46 V47 I77 M80	I39-R43 VanDerWaalsContact O-CB 3.29Å; I39-R43 WeakPolarHBondContact O-CB 3.34Å; I39-R43 PolarHBondContact O-N 2.63Å; V41-R43 VanDerWaalsContact C-N 3.3Å; V41-R43 PolarHBondContact O-N 3.4Å; R43-F45 VanDerWaalsContact C-N 3.33Å; R43-F45 PolarHBondContact O-N 2.85Å; R43-I46 PolarHBondContact O-N 3Å; R43-V47 VanDerWaalsContact O-CG2 3.28Å; R43-V47 WeakPolarHBondContact O-CG2 3.44Å; R43-V47 PolarHBondContact O-N 3.47Å; R43-V47 VanDerWaalsContact O-N 3.08Å; R43-I77 HydrophobicContact CG-CG2 3.47Å; R43-I77 VanDerWaalsContact CG-CG2 3.47Å; R43-I77 PolarHBondContact NE-O 3.28Å; R43-I77 PolarHBondContact NH1-O 3.15Å; R43-I77 PolarHBondContact NH2-O 3.35Å; R43-M80 PolarHBondContact NH1-OXT 3.31Å; R43-M80 PolarHBondContact NH2-OXT 3.34Å
44	K	81.7	Confident	80.1	Confident	132 Å²	132	95.3 Å²	95.3	57%	0.574	45%	0.445	S	S	*	.	H	α-helix	trans	-61.8	-40.8	173.6	-73.6	178.1	179.5	-173.2	0	112.1	N40 V41 L42 V47 L48	N40-K44 WeakPolarHBondContact O-CG 3.48Å; N40-K44 PolarHBondContact O-N 2.97Å; N40-K44 VanDerWaalsContact O-N 3.11Å; V41-K44 PolarHBondContact O-N 2.94Å; L42-K44 VanDerWaalsContact C-N 3.34Å; L42-K44 PolarHBondContact O-N 3.31Å; K44-V47 PolarHBondContact O-N 3Å; K44-L48 WeakPolarHBondContact O-CB 3.29Å; K44-L48 PolarHBondContact O-N 3.32Å
45	F	83.2	Confident	79.1	Confident	126 Å²	126	96.7 Å²	96.7	55%	0.553	45%	0.446	S	S	*	.	H	α-helix	trans	-62.8	-47.1	178.3	-173.2	-96.1	0	0	0	112	V41 L42 R43 V47 L48 E49	V41-F45 PolarHBondContact O-N 3.44Å; L42-F45 WeakPolarHBondContact O-CB 3.31Å; L42-F45 PolarHBondContact O-N 3.39Å; L42-F45 VanDerWaalsContact O-N 3.13Å; R43-F45 VanDerWaalsContact C-N 3.33Å; R43-F45 PolarHBondContact O-N 2.85Å; F45-V47 VanDerWaalsContact C-N 3.32Å; F45-V47 PolarHBondContact O-N 3.36Å; F45-L48 PolarHBondContact O-N 3.45Å; F45-E49 HydrophobicContact CD1-CG 4.43Å; F45-E49 HydrophobicContact CE1-CG 3.94Å; F45-E49 HydrophobicContact CZ-CG 4.13Å; F45-E49 PolarHBondContact O-N 2.9Å
46	I	81.8	Confident	77.9	Confident	99 Å²	99	98.5 Å²	98.5	51%	0.508	45%	0.452	S	S	.	.	H	α-helix	trans	-60.4	-43.6	177.7	-67.7	165.3	0	0	0	110.9	L42 R43 L48 E49 L50	L42-I46 WeakPolarHBondContact O-CG1 3.37Å; L42-I46 PolarHBondContact O-N 2.83Å; R43-I46 PolarHBondContact O-N 3Å; I46-L48 VanDerWaalsContact C-N 3.33Å; I46-L48 PolarHBondContact O-N 2.92Å; I46-E49 PolarHBondContact O-N 2.83Å; I46-L50 HydrophobicContact CG2-CD1 3.99Å; I46-L50 HydrophobicContact CG2-CG 4.46Å; I46-L50 WeakPolarHBondContact O-CB 3.47Å; I46-L50 WeakPolarHBondContact O-CG 3.4Å; I46-L50 PolarHBondContact O-N 3.19Å
47	V	78.6	Confident	76.6	Confident	7 Å²	7	99.9 Å²	99.9	4%	0.042	46%	0.457	C	S	.	.	H	α-helix	trans	-63.2	-41.7	177.5	174.5	0	0	0	0	111.3	R43 K44 F45 L50 I51 Y74 I77	R43-V47 VanDerWaalsContact O-CG2 3.28Å; R43-V47 WeakPolarHBondContact O-CG2 3.44Å; R43-V47 PolarHBondContact O-N 3.47Å; R43-V47 VanDerWaalsContact O-N 3.08Å; K44-V47 PolarHBondContact O-N 3Å; F45-V47 VanDerWaalsContact C-N 3.32Å; F45-V47 PolarHBondContact O-N 3.36Å; V47-L50 PolarHBondContact O-N 3.43Å; V47-I51 HydrophobicContact CG1-CD1 3.85Å; V47-I51 HydrophobicContact CG1-CG1 4.45Å; V47-I51 VanDerWaalsContact O-CG1 3.25Å; V47-I51 WeakPolarHBondContact O-CG1 3.34Å; V47-I51 PolarHBondContact O-N 2.99Å; V47-Y74 HydrophobicContact CG1-CD2 3.49Å; V47-Y74 VanDerWaalsContact CG1-CD2 3.49Å; V47-Y74 HydrophobicContact CG1-CE2 4.21Å; V47-Y74 HydrophobicContact CG1-CG 4.36Å; V47-I77 HydrophobicContact CG2-CB 4.07Å; V47-I77 HydrophobicContact CG2-CD1 3.69Å; V47-I77 HydrophobicContact CG2-CG1 4.49Å; V47-I77 HydrophobicContact CG2-CG2 3.57Å
48	L	77.7	Confident	75.1	Confident	88 Å²	88	92 Å²	92	46%	0.461	43%	0.43	S	S	.	.	H	α-helix	trans	-63.9	-42.8	178.6	-155.4	103.3	0	0	0	111.6	K44 F45 I46 I51 R52	K44-L48 WeakPolarHBondContact O-CB 3.29Å; K44-L48 PolarHBondContact O-N 3.32Å; F45-L48 PolarHBondContact O-N 3.45Å; I46-L48 VanDerWaalsContact C-N 3.33Å; I46-L48 PolarHBondContact O-N 2.92Å; L48-I51 PolarHBondContact O-N 3.47Å; L48-R52 WeakPolarHBondContact O-CG 3.31Å; L48-R52 PolarHBondContact O-N 2.89Å
49	E	75.8	Confident	73.4	Confident	79 Å²	79	92.8 Å²	92.8	37%	0.369	44%	0.436	S	S	.	.	H	α-helix	trans	-66	-39.6	175.5	-82.2	-60	124.5	0	0	112.2	F45 I46 I51 R52 F53	F45-E49 HydrophobicContact CD1-CG 4.43Å; F45-E49 HydrophobicContact CE1-CG 3.94Å; F45-E49 HydrophobicContact CZ-CG 4.13Å; F45-E49 PolarHBondContact O-N 2.9Å; I46-E49 PolarHBondContact O-N 2.83Å; E49-I51 PolarHBondContact O-N 3.08Å; E49-R52 PolarHBondContact O-N 3.13Å; E49-R52 WeakPolarHBondContact OE1-CD 3.4Å; E49-R52 IonicContact OE1-CZ 3.83Å; E49-R52 IonicContact OE1-NH1 2.87Å; E49-R52 PolarHBondContact OE1-NH1 2.96Å; E49-F53 WeakPolarHBondContact O-CB 3.28Å; E49-F53 PolarHBondContact O-N 3.44Å
50	L	74.3	Confident	72	Confident	63 Å²	63	94.2 Å²	94.2	33%	0.33	45%	0.448	S	S	.	.	H	α-helix	trans	-60.7	-45.1	172.5	-77.8	168.6	0	0	0	111.4	I46 V47 R52 F53 F54 L73	I46-L50 HydrophobicContact CG2-CD1 3.99Å; I46-L50 HydrophobicContact CG2-CG 4.46Å; I46-L50 WeakPolarHBondContact O-CB 3.47Å; I46-L50 WeakPolarHBondContact O-CG 3.4Å; I46-L50 PolarHBondContact O-N 3.19Å; V47-L50 PolarHBondContact O-N 3.43Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 3.18Å; L50-F53 PolarHBondContact O-N 3.4Å; L50-F54 HydrophobicContact CB-CD2 4.46Å; L50-F54 HydrophobicContact CD2-CE2 4.25Å; L50-F54 WeakPolarHBondContact O-CB 3.2Å; L50-F54 WeakPolarHBondContact O-CD2 3.14Å; L50-F54 PolarHBondContact O-N 3.4Å; L50-L73 HydrophobicContact CD1-CD2 4.11Å
51	I	72.7	Confident	70.5	Confident	57 Å²	57	97 Å²	97	29%	0.292	46%	0.463	S	S	.	.	H	α-helix	trans	-60.3	-43.4	176.5	-68.8	164.9	0	0	0	110.5	V47 L48 E49 F54 K55 Y74	V47-I51 HydrophobicContact CG1-CD1 3.85Å; V47-I51 HydrophobicContact CG1-CG1 4.45Å; V47-I51 VanDerWaalsContact O-CG1 3.25Å; V47-I51 WeakPolarHBondContact O-CG1 3.34Å; V47-I51 PolarHBondContact O-N 2.99Å; L48-I51 PolarHBondContact O-N 3.47Å; E49-I51 PolarHBondContact O-N 3.08Å; I51-F54 PolarHBondContact O-N 3.24Å; I51-K55 VanDerWaalsContact O-CB 3.26Å; I51-K55 WeakPolarHBondContact O-CB 3.43Å; I51-K55 PolarHBondContact O-N 2.91Å; I51-Y74 HydrophobicContact CD1-CD2 4.11Å
52	R	72.6	Confident	69	Low	147 Å²	147	99.3 Å²	99.3	56%	0.555	47%	0.472	S	S	*	.	H	α-helix	trans	-61.8	-46.1	175	-77.5	175.1	172	176.5	-4.6	112	L48 E49 L50 F54 K55 H56	L48-R52 WeakPolarHBondContact O-CG 3.31Å; L48-R52 PolarHBondContact O-N 2.89Å; E49-R52 PolarHBondContact O-N 3.13Å; E49-R52 WeakPolarHBondContact OE1-CD 3.4Å; E49-R52 IonicContact OE1-CZ 3.83Å; E49-R52 IonicContact OE1-NH1 2.87Å; E49-R52 PolarHBondContact OE1-NH1 2.96Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 3.18Å; R52-F54 PolarHBondContact O-N 3.07Å; R52-K55 PolarHBondContact O-N 3.44Å; R52-H56 WeakPolarHBondContact O-CB 3.41Å; R52-H56 PolarHBondContact O-N 2.92Å
53	F	69.4	Low	67.7	Low	112 Å²	112	102.2 Å²	102.2	49%	0.491	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-43.7	178.7	-171.9	-97.2	0	0	0	111.8	E49 L50 H56 K57	E49-F53 WeakPolarHBondContact O-CB 3.28Å; E49-F53 PolarHBondContact O-N 3.44Å; L50-F53 PolarHBondContact O-N 3.4Å; F53-H56 PolarHBondContact O-N 3.41Å; F53-K57 HydrophobicContact CD1-CD 4.36Å; F53-K57 HydrophobicContact CE1-CD 3.65Å; F53-K57 HydrophobicContact CE1-CG 4.29Å; F53-K57 HydrophobicContact CZ-CD 3.94Å; F53-K57 VanDerWaalsContact CZ-CE 3.4Å; F53-K57 HydrophobicContact CZ-CG 4.48Å; F53-K57 WeakPolarHBondContact O-CB 3.34Å; F53-K57 PolarHBondContact O-N 3.01Å
54	F	65.3	Low	66.4	Low	76 Å²	76	107.6 Å²	107.6	33%	0.333	51%	0.514	S	S	.	.	H	α-helix	trans	-70.3	-35.5	175.9	-79.9	-64.5	0	0	0	112.9	L50 I51 R52 G58 L66	L50-F54 HydrophobicContact CB-CD2 4.46Å; L50-F54 HydrophobicContact CD2-CE2 4.25Å; L50-F54 WeakPolarHBondContact O-CB 3.2Å; L50-F54 WeakPolarHBondContact O-CD2 3.14Å; L50-F54 PolarHBondContact O-N 3.4Å; I51-F54 PolarHBondContact O-N 3.24Å; R52-F54 PolarHBondContact O-N 3.07Å; F54-G58 WeakPolarHBondContact O-CA 3.49Å; F54-G58 PolarHBondContact O-N 3.21Å; F54-L66 HydrophobicContact CD1-CD2 3.94Å; F54-L66 HydrophobicContact CE1-CD2 4.31Å
55	K	65.6	Low	65.2	Low	149 Å²	149	110.2 Å²	110.2	65%	0.648	53%	0.525	S	S	*	.	H	α-helix	trans	-62.6	-48.4	172.7	-173.4	178.7	177.8	-175.7	0	109.8	I51 R52 K57 G58 E59	I51-K55 VanDerWaalsContact O-CB 3.26Å; I51-K55 WeakPolarHBondContact O-CB 3.43Å; I51-K55 PolarHBondContact O-N 2.91Å; R52-K55 PolarHBondContact O-N 3.44Å; K55-K57 PolarHBondContact O-N 2.92Å; K55-G58 PolarHBondContact O-N 3.29Å; K55-E59 WeakPolarHBondContact O-CB 3.25Å; K55-E59 PolarHBondContact O-N 3.35Å
56	H	62.1	Low	63.9	Low	136 Å²	136	107.2 Å²	107.2	63%	0.63	52%	0.515	S	S	*	.	H	α-helix	trans	-64.7	-40.5	179.4	-168	-69.2	0	0	0	112.6	R52 F53	R52-H56 WeakPolarHBondContact O-CB 3.41Å; R52-H56 PolarHBondContact O-N 2.92Å; F53-H56 PolarHBondContact O-N 3.41Å
57	K	56.4	Low	62.6	Low	124 Å²	124	108.8 Å²	108.8	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-74.5	-31.6	174	-82.6	-161.9	172.5	-176.8	0	113.5	F53 K55 V60 N61	F53-K57 HydrophobicContact CD1-CD 4.36Å; F53-K57 HydrophobicContact CE1-CD 3.65Å; F53-K57 HydrophobicContact CE1-CG 4.29Å; F53-K57 HydrophobicContact CZ-CD 3.94Å; F53-K57 VanDerWaalsContact CZ-CE 3.4Å; F53-K57 HydrophobicContact CZ-CG 4.48Å; F53-K57 WeakPolarHBondContact O-CB 3.34Å; F53-K57 PolarHBondContact O-N 3.01Å; K55-K57 PolarHBondContact O-N 2.92Å; K57-V60 WeakPolarHBondContact O-CB 3.46Å; K57-V60 PolarHBondContact O-N 2.88Å; K57-N61 PolarHBondContact O-N 3.37Å
58	G	53.2	Low	61.7	Low	9 Å²	9	111.6 Å²	111.6	9%	0.093	54%	0.543	C	S	.	.	H	α-helix	trans	-78	-25.9	-180	0	0	0	0	0	113.5	F54 K55 V60 N61	F54-G58 WeakPolarHBondContact O-CA 3.49Å; F54-G58 PolarHBondContact O-N 3.21Å; K55-G58 PolarHBondContact O-N 3.29Å; G58-V60 PolarHBondContact O-N 3.47Å; G58-N61 CarbonylContact O-C 3.2Å; G58-N61 PolarHBondContact O-N 2.95Å; G58-N61 VanDerWaalsContact O-N 3.15Å
59	E	52.5	Low	60.9	Low	148 Å²	148	113.9 Å²	113.9	69%	0.692	55%	0.553	S	S	*	*	H	α-helix	trans	-66	-29.2	168.4	-158.7	161.7	-153.9	0	0	111	K55	K55-E59 WeakPolarHBondContact O-CB 3.25Å; K55-E59 PolarHBondContact O-N 3.35Å
60	V	55.3	Low	60.1	Low	119 Å²	119	110.8 Å²	110.8	72%	0.721	54%	0.541	S	S	*	.	H	α-helix	trans	-78	-22.6	172	-179.3	0	0	0	0	112.3	K57 G58	K57-V60 WeakPolarHBondContact O-CB 3.46Å; K57-V60 PolarHBondContact O-N 2.88Å; G58-V60 PolarHBondContact O-N 3.47Å
61	N	52.3	Low	59.6	Low	115 Å²	115	112 Å²	112	62%	0.615	55%	0.546	S	S	*	.	S	Bend	trans	-144.8	89.1	-176	-145.9	3.6	0	0	0	112.6	K57 G58	K57-N61 PolarHBondContact O-N 3.37Å; G58-N61 CarbonylContact O-C 3.2Å; G58-N61 PolarHBondContact O-N 2.95Å; G58-N61 VanDerWaalsContact O-N 3.15Å
62	N	53.4	Low	59.3	Low	144 Å²	144	112.3 Å²	112.3	77%	0.77	55%	0.554	S	S	*	*			trans	49	82.8	158.8	-69.4	-21.7	0	0	0	117.2	K64	N62-K64 PolarHBondContact O-N 3.44Å
63	N	54.6	Low	58.9	Low	140 Å²	140	108.8 Å²	108.8	75%	0.749	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-1	102.3	139.3	-76.1	-22.9	0	0	0	116
64	K	55.5	Low	58.4	Low	190 Å²	190	108.6 Å²	108.6	83%	0.826	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	156	-34.8	137.6	-84	166.6	-175.4	-176.1	0	112.7	N62	N62-K64 PolarHBondContact O-N 3.44Å
65	K	58.1	Low	58.2	Low	187 Å²	187	109.8 Å²	109.8	81%	0.813	55%	0.552	S	S	*	*	H	α-helix	trans	-78.6	-38.3	-176.4	-92	-177.3	175.8	177.8	0	114.5	H67 A68 M69	K65-H67 VanDerWaalsContact C-N 3.3Å; K65-H67 PolarHBondContact O-N 3.25Å; K65-A68 PolarHBondContact O-N 3.47Å; K65-M69 PolarHBondContact O-N 2.87Å
66	L	54.2	Low	58	Low	63 Å²	63	107.9 Å²	107.9	33%	0.33	55%	0.548	S	S	.	.	H	α-helix	trans	-67.4	-30	-175	-73	171.1	0	0	0	113.3	F54 A68 M69 S70	F54-L66 HydrophobicContact CD1-CD2 3.94Å; F54-L66 HydrophobicContact CE1-CD2 4.31Å; L66-A68 PolarHBondContact O-N 2.82Å; L66-M69 PolarHBondContact O-N 2.96Å; L66-S70 PolarHBondContact O-N 3.43Å; L66-S70 PolarHBondContact O-OG 3.34Å
67	H	54.5	Low	57.7	Low	132 Å²	132	103.3 Å²	103.3	61%	0.611	53%	0.528	S	S	*	.	H	α-helix	trans	-69	-34	-179.6	-142	-65.8	0	0	0	112.5	K65 S70 I71	K65-H67 VanDerWaalsContact C-N 3.3Å; K65-H67 PolarHBondContact O-N 3.25Å; H67-S70 PolarHBondContact O-OG 3.34Å; H67-S70 VanDerWaalsContact O-OG 3.07Å; H67-I71 WeakPolarHBondContact O-CD1 3.47Å; H67-I71 WeakPolarHBondContact O-CG1 3.37Å; H67-I71 PolarHBondContact O-N 3.38Å
68	A	60.1	Low	57.5	Low	66 Å²	66	100.5 Å²	100.5	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-70.8	-39	175.1	0	0	0	0	0	111.6	K65 L66 S72	K65-A68 PolarHBondContact O-N 3.47Å; L66-A68 PolarHBondContact O-N 2.82Å; A68-S72 WeakPolarHBondContact O-CB 3.37Å; A68-S72 PolarHBondContact O-N 3.49Å
69	M	60.7	Low	57.6	Low	135 Å²	135	105.9 Å²	105.9	67%	0.665	55%	0.554	S	S	*	*	H	α-helix	trans	-70.3	-38	179.5	-162.6	176.3	-80.1	0	0	111.8	K65 L66 S72 L73	K65-M69 PolarHBondContact O-N 2.87Å; L66-M69 PolarHBondContact O-N 2.96Å; M69-S72 PolarHBondContact O-N 3.35Å; M69-L73 WeakPolarHBondContact O-CB 3.37Å; M69-L73 PolarHBondContact O-N 3.29Å
70	S	60.1	Low	57.4	Low	15 Å²	15	107.5 Å²	107.5	11%	0.105	56%	0.564	C	S	.	*	H	α-helix	trans	-68.3	-37.9	176.5	66	0	0	0	0	112.8	L66 H67 L73 Y74	L66-S70 PolarHBondContact O-N 3.43Å; L66-S70 PolarHBondContact O-OG 3.34Å; H67-S70 PolarHBondContact O-OG 3.34Å; H67-S70 VanDerWaalsContact O-OG 3.07Å; S70-L73 PolarHBondContact O-N 3.5Å; S70-Y74 WeakPolarHBondContact O-CB 3.32Å; S70-Y74 PolarHBondContact O-N 2.75Å
71	I	64.1	Low	57.5	Low	87 Å²	87	107 Å²	107	45%	0.446	56%	0.556	S	S	.	*	H	α-helix	trans	-66.3	-42	173.5	-67.1	167	0	0	0	110.9	H67 L73 Y74 L75	H67-I71 WeakPolarHBondContact O-CD1 3.47Å; H67-I71 WeakPolarHBondContact O-CG1 3.37Å; H67-I71 PolarHBondContact O-N 3.38Å; I71-L73 VanDerWaalsContact C-N 3.35Å; I71-Y74 WeakPolarHBondContact O-CB 3.26Å; I71-Y74 PolarHBondContact O-N 3.46Å; I71-L75 HydrophobicContact CG2-CD1 4.07Å; I71-L75 PolarHBondContact O-N 3.29Å
72	S	65.5	Low	57.7	Low	64 Å²	64	106.5 Å²	106.5	45%	0.448	55%	0.553	S	S	.	*	H	α-helix	trans	-63.3	-40.6	176.1	-176.8	0	0	0	0	112	A68 M69 L75 N76	A68-S72 WeakPolarHBondContact O-CB 3.37Å; A68-S72 PolarHBondContact O-N 3.49Å; M69-S72 PolarHBondContact O-N 3.35Å; S72-L75 PolarHBondContact O-N 2.86Å; S72-N76 PolarHBondContact O-N 3.47Å
73	L	63.9	Low	58	Low	73 Å²	73	104.4 Å²	104.4	38%	0.382	54%	0.541	S	S	.	.	H	α-helix	trans	-63.7	-41.3	173.3	-155.2	88.1	0	0	0	111.2	L50 M69 S70 I71 N76 I77	L50-L73 HydrophobicContact CD1-CD2 4.11Å; M69-L73 WeakPolarHBondContact O-CB 3.37Å; M69-L73 PolarHBondContact O-N 3.29Å; S70-L73 PolarHBondContact O-N 3.5Å; I71-L73 VanDerWaalsContact C-N 3.35Å; L73-N76 PolarHBondContact O-N 2.84Å; L73-I77 HydrophobicContact CD2-CD1 3.88Å; L73-I77 HydrophobicContact CG-CD1 3.72Å; L73-I77 VanDerWaalsContact O-CB 3.31Å; L73-I77 WeakPolarHBondContact O-CB 3.34Å; L73-I77 WeakPolarHBondContact O-CD1 3.45Å; L73-I77 WeakPolarHBondContact O-CG1 3.12Å; L73-I77 PolarHBondContact O-N 2.88Å
74	Y	59.9	Low	58.2	Low	109 Å²	109	102.4 Å²	102.4	43%	0.427	53%	0.529	S	S	.	.	H	α-helix	trans	-59.9	-47.1	175.6	-174	-87.1	0	0	0	111.6	V47 I51 S70 I71 I77 C78	V47-Y74 HydrophobicContact CG1-CD2 3.49Å; V47-Y74 VanDerWaalsContact CG1-CD2 3.49Å; V47-Y74 HydrophobicContact CG1-CE2 4.21Å; V47-Y74 HydrophobicContact CG1-CG 4.36Å; I51-Y74 HydrophobicContact CD1-CD2 4.11Å; S70-Y74 WeakPolarHBondContact O-CB 3.32Å; S70-Y74 PolarHBondContact O-N 2.75Å; I71-Y74 WeakPolarHBondContact O-CB 3.26Å; I71-Y74 PolarHBondContact O-N 3.46Å; Y74-I77 PolarHBondContact O-N 3.25Å; Y74-C78 HydrophobicContact CE1-CB 4.3Å; Y74-C78 WeakPolarHBondContact O-CB 3.46Å; Y74-C78 PolarHBondContact O-N 2.85Å
75	L	60.8	Low	58.4	Low	101 Å²	101	96.9 Å²	96.9	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-47	178.2	-83.7	157	0	0	0	112	I71 S72 I77 C78 V79	I71-L75 HydrophobicContact CG2-CD1 4.07Å; I71-L75 PolarHBondContact O-N 3.29Å; S72-L75 PolarHBondContact O-N 2.86Å; L75-I77 VanDerWaalsContact C-N 3.25Å; L75-I77 PolarHBondContact O-N 2.81Å; L75-C78 PolarHBondContact O-N 3.48Å; L75-V79 WeakPolarHBondContact O-CB 3.36Å; L75-V79 WeakPolarHBondContact O-CG2 3.46Å; L75-V79 PolarHBondContact O-N 3.47Å
76	N	60.3	Low	58.4	Low	108 Å²	108	90.9 Å²	90.9	58%	0.578	49%	0.49	S	S	*	.	H	α-helix	trans	-62.7	-33.5	177.7	-89.7	-44.5	0	0	0	112.8	S72 L73	S72-N76 PolarHBondContact O-N 3.47Å; L73-N76 PolarHBondContact O-N 2.84Å
77	I	56	Low	58.7	Low	41 Å²	41	92.9 Å²	92.9	21%	0.21	50%	0.501	C	S	.	.	H	α-helix	trans	-84.6	-28.8	-179	-63.2	173.5	0	0	0	111.9	R43 V47 L73 Y74 L75	R43-I77 HydrophobicContact CG-CG2 3.47Å; R43-I77 VanDerWaalsContact CG-CG2 3.47Å; R43-I77 PolarHBondContact NE-O 3.28Å; R43-I77 PolarHBondContact NH1-O 3.15Å; R43-I77 PolarHBondContact NH2-O 3.35Å; V47-I77 HydrophobicContact CG2-CB 4.07Å; V47-I77 HydrophobicContact CG2-CD1 3.69Å; V47-I77 HydrophobicContact CG2-CG1 4.49Å; V47-I77 HydrophobicContact CG2-CG2 3.57Å; L73-I77 HydrophobicContact CD2-CD1 3.88Å; L73-I77 HydrophobicContact CG-CD1 3.72Å; L73-I77 VanDerWaalsContact O-CB 3.31Å; L73-I77 WeakPolarHBondContact O-CB 3.34Å; L73-I77 WeakPolarHBondContact O-CD1 3.45Å; L73-I77 WeakPolarHBondContact O-CG1 3.12Å; L73-I77 PolarHBondContact O-N 2.88Å; Y74-I77 PolarHBondContact O-N 3.25Å; L75-I77 VanDerWaalsContact C-N 3.25Å; L75-I77 PolarHBondContact O-N 2.81Å
78	C	52.6	Low	59	Low	65 Å²	65	89.8 Å²	89.8	44%	0.439	49%	0.493	S	S	.	.	H	α-helix	trans	-83.1	-25.5	177.1	-102.4	0	0	0	0	114.1	Y74 L75	Y74-C78 HydrophobicContact CE1-CB 4.3Å; Y74-C78 WeakPolarHBondContact O-CB 3.46Å; Y74-C78 PolarHBondContact O-N 2.85Å; L75-C78 PolarHBondContact O-N 3.48Å
79	V	54.8	Low	58.9	Low	121 Å²	121	91.8 Å²	91.8	73%	0.733	49%	0.489	S	S	*	.	H	α-helix	trans	-86.9	-32.7	-176.6	174.4	0	0	0	0	113	L75	L75-V79 WeakPolarHBondContact O-CB 3.36Å; L75-V79 WeakPolarHBondContact O-CG2 3.46Å; L75-V79 PolarHBondContact O-N 3.47Å
80	M	48.2	Very low	58.7	Low	183 Å²	183	87.9 Å²	87.9	90%	0.901	47%	0.473	S	S	*	.			trans	-77.7	0	171.2	-65.7	-165.2	88	0	0	111.3	R43	R43-M80 PolarHBondContact NH1-OXT 3.31Å; R43-M80 PolarHBondContact NH2-OXT 3.34Å

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