A0A087Y391_POEFO Loading...

Hypocretin neuropeptide precursor

Binds to orexin receptor HCRTR2/OX2R only. Stimulates food intake. Modulates pituitary luteinizing hormone secretion in an ovarian steroid-dependent manner. Binds to orexin receptors HCRTR1/OX1R and HCRTR2/OX2R with a high affinity. Stimulates food intake. Modulates pituitary luteinizing hormone secretion in an ovarian steroid-dependent manner.

AlphaFold DB , UniProt , Accession A0A087Y391, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 127 aa.

						>A0A087Y391_POEFO|A0A087Y391
HTRVKMTWYTTNFHNTAGMDKPNRKTLAFMLILLLAQLGCSAQSVSECCRQPARSCRLQVLLCRSGNKSTGGTIAGDAAAGILTLGKRNEDELHLQSRLHQLLHGRKNQAAGILTMGKRTAERDREQ
					

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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	H	45.1	Very low	54.3	Low	252 Å²	252	166.2 Å²	166.2	100%	1.167	80%	0.8	S	S	*	*				0	91.5	0	-98.5	-108.1	0	0	0	109.4
2	T	44.6	Very low	54.1	Low	138 Å²	138	163.1 Å²	163.1	85%	0.847	79%	0.79	S	S	*	*			trans	-86.3	113.4	176.3	34.2	0	0	0	0	109.1	V4	T2-V4 PolarHBondContact O-N 3.32Å
3	R	52.9	Low	54.2	Low	234 Å²	234	163.6 Å²	163.6	88%	0.883	79%	0.787	S	S	*	*			trans	-82.8	95.6	-179.7	-165.2	-170.4	-65.1	-146.3	3.1	108.8	K5	R3-K5 PolarHBondContact O-N 2.83Å; R3-K5 VanDerWaalsContact O-N 3.16Å
4	V	61.8	Low	54.3	Low	119 Å²	119	164.3 Å²	164.3	72%	0.721	79%	0.788	S	S	*	*			trans	-65.1	109.7	170.8	176.7	0	0	0	0	108.2	T2 M6	T2-V4 PolarHBondContact O-N 3.32Å; V4-M6 HydrophobicContact CG1-CG 4.25Å; V4-M6 PolarHBondContact O-N 2.76Å
5	K	60.1	Low	54.5	Low	185 Å²	185	163.1 Å²	163.1	80%	0.804	79%	0.788	S	S	*	*			trans	-79.2	97.7	166.1	-81.4	-179.4	175.8	177.4	0	107.3	R3 T7	R3-K5 PolarHBondContact O-N 2.83Å; R3-K5 VanDerWaalsContact O-N 3.16Å; K5-T7 PolarHBondContact O-N 2.8Å
6	M	52.6	Low	54.1	Low	146 Å²	146	160.6 Å²	160.6	72%	0.719	79%	0.785	S	S	*	*			trans	-68.6	109.1	162.8	-73	-158.2	-135.1	0	0	107.9	V4 W8	V4-M6 HydrophobicContact CG1-CG 4.25Å; V4-M6 PolarHBondContact O-N 2.76Å; M6-W8 PolarHBondContact O-N 3.03Å; M6-W8 VanDerWaalsContact O-N 3.14Å
7	T	57.2	Low	54.1	Low	107 Å²	107	156.5 Å²	156.5	66%	0.656	78%	0.784	S	S	*	*			trans	-72.1	99.7	164.4	47.2	0	0	0	0	107.1	K5 Y9	K5-T7 PolarHBondContact O-N 2.8Å; T7-Y9 WeakPolarHBondContact O-CD2 3.15Å; T7-Y9 PolarHBondContact O-N 3.27Å
8	W	49.9	Very low	53.8	Low	227 Å²	227	151.8 Å²	151.8	86%	0.86	78%	0.782	S	S	*	*			trans	-63.5	105.4	169.4	-69	82.1	0	0	0	107.7	M6 T10	M6-W8 PolarHBondContact O-N 3.03Å; M6-W8 VanDerWaalsContact O-N 3.14Å; W8-T10 PolarHBondContact O-N 3.5Å
9	Y	58.3	Low	53.9	Low	198 Å²	198	152.9 Å²	152.9	78%	0.776	79%	0.785	S	S	*	*			trans	-68.8	109.2	169.1	-81.4	-92.7	0	0	0	107.6	T7 T11	T7-Y9 WeakPolarHBondContact O-CD2 3.15Å; T7-Y9 PolarHBondContact O-N 3.27Å; Y9-T11 VanDerWaalsContact C-N 3.28Å; Y9-T11 PolarHBondContact O-N 3.17Å
10	T	58.4	Low	54	Low	118 Å²	118	152.5 Å²	152.5	72%	0.724	79%	0.785	S	S	*	*			trans	-75.8	87.3	167.4	50.1	0	0	0	0	107.7	W8 N12	W8-T10 PolarHBondContact O-N 3.5Å; T10-N12 VanDerWaalsContact C-N 3.33Å; T10-N12 PolarHBondContact O-N 3.29Å
11	T	56.8	Low	54.2	Low	104 Å²	104	154.6 Å²	154.6	64%	0.638	79%	0.788	S	S	*	*			trans	-65.1	100.1	165	43.5	0	0	0	0	107.6	Y9 F13	Y9-T11 VanDerWaalsContact C-N 3.28Å; Y9-T11 PolarHBondContact O-N 3.17Å; T11-F13 VanDerWaalsContact C-N 3.27Å; T11-F13 PolarHBondContact O-N 3.36Å
12	N	51.9	Low	54.9	Low	129 Å²	129	145.9 Å²	145.9	69%	0.69	75%	0.753	S	S	*	*			trans	-64.2	94.8	164.8	-72	-68.9	0	0	0	107.2	T10 H14	T10-N12 VanDerWaalsContact C-N 3.33Å; T10-N12 PolarHBondContact O-N 3.29Å; N12-H14 PolarHBondContact O-N 3.2Å
13	F	54.8	Low	56.1	Low	170 Å²	170	144.8 Å²	144.8	75%	0.746	74%	0.743	S	S	*	*			trans	-68.4	91.3	162.2	-85.9	-89.3	0	0	0	106.9	T11 N15	T11-F13 VanDerWaalsContact C-N 3.27Å; T11-F13 PolarHBondContact O-N 3.36Å; F13-N15 PolarHBondContact O-N 3.16Å; F13-N15 VanDerWaalsContact O-N 3.11Å
14	H	55.2	Low	57.1	Low	173 Å²	173	144.5 Å²	144.5	80%	0.801	74%	0.742	S	S	*	*			trans	-62.7	112.6	160.1	-83	-85.1	0	0	0	106.9	N12 T16	N12-H14 PolarHBondContact O-N 3.2Å; H14-T16 PolarHBondContact O-N 3.11Å; H14-T16 VanDerWaalsContact O-N 3.1Å
15	N	57.7	Low	57.6	Low	147 Å²	147	146.7 Å²	146.7	79%	0.786	74%	0.741	S	S	*	*			trans	-55.9	117.3	176.2	-74.8	-36.4	0	0	0	109.5	F13	F13-N15 PolarHBondContact O-N 3.16Å; F13-N15 VanDerWaalsContact O-N 3.11Å
16	T	47.8	Very low	58.4	Low	122 Å²	122	141.2 Å²	141.2	75%	0.748	72%	0.724	S	S	*	*	S	Bend	trans	13.4	123.1	143.9	52.5	0	0	0	0	117.1	H14	H14-T16 PolarHBondContact O-N 3.11Å; H14-T16 VanDerWaalsContact O-N 3.1Å
17	A	54.9	Low	59.7	Low	92 Å²	92	138.8 Å²	138.8	76%	0.76	71%	0.713	S	S	*	*			trans	39.8	91.9	146.2	0	0	0	0	0	114.1	M19	A17-M19 PolarHBondContact O-N 3.36Å
18	G	47.5	Very low	60.8	Low	72 Å²	72	135.7 Å²	135.7	74%	0.742	70%	0.698	S	S	*	*			trans	-55.1	92.3	155.1	0	0	0	0	0	108	D20	G18-D20 PolarHBondContact O-N 2.89Å
19	M	56.1	Low	62.3	Low	172 Å²	172	131.8 Å²	131.8	85%	0.847	69%	0.687	S	S	*	*			trans	-69.4	99.4	162	-162.8	143.3	62.5	0	0	103.3	A17 K21	A17-M19 PolarHBondContact O-N 3.36Å; M19-K21 PolarHBondContact O-N 3.38Å
20	D	56.1	Low	63.4	Low	145 Å²	145	128 Å²	128	78%	0.775	68%	0.678	S	S	*	*			trans	-42.1	111.4	178.8	-65.9	-64	0	0	0	107.3	G18 P22	G18-D20 PolarHBondContact O-N 2.89Å; D20-P22 VanDerWaalsContact C-N 3.33Å; D20-P22 WeakPolarHBondContact O-CD 3.46Å; D20-P22 WeakPolarHBondContact O-CG 3.09Å
21	K	58.8	Low	64.5	Low	197 Å²	197	127.2 Å²	127.2	86%	0.857	67%	0.669	S	S	*	*			trans	-59.8	101.3	-175.2	-161.2	166.6	-174.2	170.9	0	104.5	M19 N23	M19-K21 PolarHBondContact O-N 3.38Å; K21-N23 PolarHBondContact O-N 3.43Å
22	P	59.2	Low	65.6	Low	68 Å²	68	127.2 Å²	127.2	44%	0.442	66%	0.664	S	S	.	*			trans	-67.9	127.1	-166.1	-0.6	13.1	0	0	0	103.9	D20 R24 L27	D20-P22 VanDerWaalsContact C-N 3.33Å; D20-P22 WeakPolarHBondContact O-CD 3.46Å; D20-P22 WeakPolarHBondContact O-CG 3.09Å; P22-R24 PolarHBondContact O-N 3.22Å; P22-L27 HydrophobicContact CB-CD1 4.05Å; P22-L27 HydrophobicContact CB-CD2 4.11Å; P22-L27 HydrophobicContact CB-CG 3.84Å; P22-L27 HydrophobicContact CG-CD1 3.85Å; P22-L27 HydrophobicContact CG-CD2 4.1Å; P22-L27 HydrophobicContact CG-CG 4.06Å
23	N	69.8	Low	66.7	Low	116 Å²	116	125.8 Å²	125.8	62%	0.62	66%	0.656	S	S	*	*			trans	-42.5	122.6	-170.7	-65.3	-74.1	0	0	0	108.1	K21 K25 T26 L27	K21-N23 PolarHBondContact O-N 3.43Å; N23-K25 CarbonylContact O-C 3.43Å; N23-K25 PolarHBondContact O-N 3.22Å; N23-T26 WeakPolarHBondContact CB-OG1 3.17Å; N23-T26 WeakPolarHBondContact O-CA 3.24Å; N23-T26 WeakPolarHBondContact O-CB 3.07Å; N23-T26 PolarHBondContact O-N 3.31Å; N23-L27 PolarHBondContact O-N 3.38Å
24	R	73.6	Confident	67.6	Low	228 Å²	228	122.7 Å²	122.7	86%	0.86	65%	0.647	S	S	*	*	H	α-helix	trans	-50.3	-30.8	-174.5	-176.5	-179.8	175.9	-156.5	-0.4	111.5	P22 A28	P22-R24 PolarHBondContact O-N 3.22Å; R24-A28 VanDerWaalsContact O-CB 3.25Å; R24-A28 WeakPolarHBondContact O-CB 3.33Å; R24-A28 PolarHBondContact O-N 3.43Å
25	K	72.5	Confident	68.3	Low	164 Å²	164	119.4 Å²	119.4	71%	0.713	63%	0.634	S	S	*	*	H	α-helix	trans	-62.7	-51.1	170.8	-59.7	179.8	179.7	176.5	0	112.3	N23 A28 F29	N23-K25 CarbonylContact O-C 3.43Å; N23-K25 PolarHBondContact O-N 3.22Å; K25-A28 PolarHBondContact O-N 3.16Å; K25-F29 HydrophobicContact CB-CD2 4.47Å; K25-F29 HydrophobicContact CB-CE2 4.46Å; K25-F29 WeakPolarHBondContact O-CB 3.38Å; K25-F29 WeakPolarHBondContact O-CD2 3.36Å; K25-F29 PolarHBondContact O-N 2.91Å
26	T	78.3	Confident	68.7	Low	71 Å²	71	115.1 Å²	115.1	44%	0.436	62%	0.62	S	S	.	*	H	α-helix	trans	-60.6	-43.4	175.7	-51.6	0	0	0	0	112.2	N23 A28 F29 M30	N23-T26 WeakPolarHBondContact CB-OG1 3.17Å; N23-T26 WeakPolarHBondContact O-CA 3.24Å; N23-T26 WeakPolarHBondContact O-CB 3.07Å; N23-T26 PolarHBondContact O-N 3.31Å; T26-A28 PolarHBondContact O-N 3.21Å; T26-F29 PolarHBondContact O-N 3.49Å; T26-M30 HydrophobicContact CG2-CG 4.49Å; T26-M30 WeakPolarHBondContact O-CB 3.37Å; T26-M30 VanDerWaalsContact O-CG 3.24Å; T26-M30 WeakPolarHBondContact O-CG 3.29Å; T26-M30 PolarHBondContact O-N 2.91Å
27	L	78.1	Confident	69.1	Low	94 Å²	94	115.1 Å²	115.1	49%	0.492	61%	0.611	S	S	.	*	H	α-helix	trans	-62.8	-42	173.6	-75.7	172.2	0	0	0	112	P22 N23 M30 L31	P22-L27 HydrophobicContact CB-CD1 4.05Å; P22-L27 HydrophobicContact CB-CD2 4.11Å; P22-L27 HydrophobicContact CB-CG 3.84Å; P22-L27 HydrophobicContact CG-CD1 3.85Å; P22-L27 HydrophobicContact CG-CD2 4.1Å; P22-L27 HydrophobicContact CG-CG 4.06Å; N23-L27 PolarHBondContact O-N 3.38Å; L27-M30 PolarHBondContact O-N 3.31Å; L27-L31 VanDerWaalsContact O-CB 3.27Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 PolarHBondContact O-N 2.95Å
28	A	81.7	Confident	69.2	Low	42 Å²	42	115.7 Å²	115.7	35%	0.347	60%	0.601	S	S	.	*	H	α-helix	trans	-64.6	-41.8	176.2	0	0	0	0	0	111.8	R24 K25 T26 L31 I32	R24-A28 VanDerWaalsContact O-CB 3.25Å; R24-A28 WeakPolarHBondContact O-CB 3.33Å; R24-A28 PolarHBondContact O-N 3.43Å; K25-A28 PolarHBondContact O-N 3.16Å; T26-A28 PolarHBondContact O-N 3.21Å; A28-L31 PolarHBondContact O-N 3.02Å; A28-I32 WeakPolarHBondContact O-CB 3.31Å; A28-I32 WeakPolarHBondContact O-CD1 3.49Å; A28-I32 WeakPolarHBondContact O-CG1 3.47Å; A28-I32 PolarHBondContact O-N 3.15Å
29	F	81.2	Confident	69.4	Low	145 Å²	145	114.4 Å²	114.4	64%	0.636	59%	0.588	S	S	*	*	H	α-helix	trans	-64.5	-43.2	175.1	-81	-64.3	0	0	0	111.9	K25 T26 L31 I32 L33	K25-F29 HydrophobicContact CB-CD2 4.47Å; K25-F29 HydrophobicContact CB-CE2 4.46Å; K25-F29 WeakPolarHBondContact O-CB 3.38Å; K25-F29 WeakPolarHBondContact O-CD2 3.36Å; K25-F29 PolarHBondContact O-N 2.91Å; T26-F29 PolarHBondContact O-N 3.49Å; F29-L31 VanDerWaalsContact C-N 3.33Å; F29-L31 PolarHBondContact O-N 2.04Å; F29-I32 PolarHBondContact O-N 2.9Å; F29-L33 VanDerWaalsContact O-CB 3.23Å; F29-L33 WeakPolarHBondContact O-CB 3.17Å; F29-L33 PolarHBondContact O-N 3.35Å
30	M	80.3	Confident	68.8	Low	119 Å²	119	109.8 Å²	109.8	59%	0.586	57%	0.571	S	S	*	*	H	α-helix	trans	-63.5	-39.2	175.1	-71.1	-64.2	-74.1	0	0	111.6	T26 L27 L33 L34	T26-M30 HydrophobicContact CG2-CG 4.49Å; T26-M30 WeakPolarHBondContact O-CB 3.37Å; T26-M30 VanDerWaalsContact O-CG 3.24Å; T26-M30 WeakPolarHBondContact O-CG 3.29Å; T26-M30 PolarHBondContact O-N 2.91Å; L27-M30 PolarHBondContact O-N 3.31Å; M30-L33 PolarHBondContact O-N 2.95Å; M30-L34 VanDerWaalsContact O-CB 3.23Å; M30-L34 WeakPolarHBondContact O-CB 3.06Å; M30-L34 PolarHBondContact O-N 2.87Å
31	L	82.1	Confident	68.2	Low	101 Å²	101	106.7 Å²	106.7	53%	0.529	56%	0.561	S	S	.	*	H	α-helix	trans	-67.2	-44.5	175.6	-175.8	67.8	0	0	0	111.7	L27 A28 F29 L33 L34 L35	L27-L31 VanDerWaalsContact O-CB 3.27Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 PolarHBondContact O-N 2.95Å; A28-L31 PolarHBondContact O-N 3.02Å; F29-L31 VanDerWaalsContact C-N 3.33Å; F29-L31 PolarHBondContact O-N 2.04Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L34 PolarHBondContact O-N 2.91Å; L31-L35 HydrophobicContact CG-CD1 4.08Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 WeakPolarHBondContact O-CG 3.45Å; L31-L35 PolarHBondContact O-N 3.42Å
32	I	80.2	Confident	67.5	Low	105 Å²	105	100 Å²	100	54%	0.538	54%	0.543	S	S	.	.	H	α-helix	trans	-63.1	-42.8	176	-69.9	165.2	0	0	0	110.3	A28 F29 L35 A36	A28-I32 WeakPolarHBondContact O-CB 3.31Å; A28-I32 WeakPolarHBondContact O-CD1 3.49Å; A28-I32 WeakPolarHBondContact O-CG1 3.47Å; A28-I32 PolarHBondContact O-N 3.15Å; F29-I32 PolarHBondContact O-N 2.9Å; I32-L35 PolarHBondContact O-N 3.48Å; I32-A36 WeakPolarHBondContact O-CB 3.41Å; I32-A36 PolarHBondContact O-N 2.94Å
33	L	75.4	Confident	66.6	Low	99 Å²	99	99.7 Å²	99.7	52%	0.518	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-43.5	177.2	-168.7	69.5	0	0	0	110.7	F29 M30 L31 A36 Q37	F29-L33 VanDerWaalsContact O-CB 3.23Å; F29-L33 WeakPolarHBondContact O-CB 3.17Å; F29-L33 PolarHBondContact O-N 3.35Å; M30-L33 PolarHBondContact O-N 2.95Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L33-A36 PolarHBondContact O-N 3.43Å; L33-Q37 VanDerWaalsContact O-CG 3.27Å; L33-Q37 WeakPolarHBondContact O-CG 3.47Å; L33-Q37 PolarHBondContact O-N 3.3Å
34	L	72.8	Confident	65.2	Low	104 Å²	104	99.1 Å²	99.1	55%	0.545	54%	0.541	S	S	.	.	H	α-helix	trans	-61.7	-46	175.3	-172.8	64.4	0	0	0	111.2	M30 L31 A36 Q37 L38	M30-L34 VanDerWaalsContact O-CB 3.23Å; M30-L34 WeakPolarHBondContact O-CB 3.06Å; M30-L34 PolarHBondContact O-N 2.87Å; L31-L34 PolarHBondContact O-N 2.91Å; L34-A36 VanDerWaalsContact C-N 3.32Å; L34-A36 PolarHBondContact O-N 3.17Å; L34-Q37 PolarHBondContact O-N 3.31Å; L34-L38 HydrophobicContact CD1-CD1 3.9Å; L34-L38 HydrophobicContact CG-CD1 3.92Å; L34-L38 WeakPolarHBondContact O-CD1 3.27Å; L34-L38 PolarHBondContact O-N 3.41Å
35	L	70.3	Confident	63.7	Low	104 Å²	104	94.3 Å²	94.3	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-64.7	-34	176.6	-70.2	170.2	0	0	0	112.6	L31 I32 L38 G39	L31-L35 HydrophobicContact CG-CD1 4.08Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 WeakPolarHBondContact O-CG 3.45Å; L31-L35 PolarHBondContact O-N 3.42Å; I32-L35 PolarHBondContact O-N 3.48Å; L35-L38 PolarHBondContact O-N 3.5Å; L35-G39 PolarHBondContact O-N 2.91Å
36	A	65.6	Low	62.3	Low	58 Å²	58	89.6 Å²	89.6	48%	0.479	52%	0.524	S	S	.	.	H	α-helix	trans	-67.1	-37.8	173.7	0	0	0	0	0	111.9	I32 L33 L34 G39 C40	I32-A36 WeakPolarHBondContact O-CB 3.41Å; I32-A36 PolarHBondContact O-N 2.94Å; L33-A36 PolarHBondContact O-N 3.43Å; L34-A36 VanDerWaalsContact C-N 3.32Å; L34-A36 PolarHBondContact O-N 3.17Å; A36-G39 PolarHBondContact O-N 2.96Å; A36-C40 WeakPolarHBondContact O-CB 3.21Å; A36-C40 PolarHBondContact O-N 3.46Å
37	Q	57.8	Low	60.7	Low	122 Å²	122	92.9 Å²	92.9	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-70.2	-37	173.9	-63.7	-67.7	-16.9	0	0	112	L33 L34 C40 S41	L33-Q37 VanDerWaalsContact O-CG 3.27Å; L33-Q37 WeakPolarHBondContact O-CG 3.47Å; L33-Q37 PolarHBondContact O-N 3.3Å; L34-Q37 PolarHBondContact O-N 3.31Å; Q37-C40 PolarHBondContact O-N 2.78Å; Q37-S41 PolarHBondContact O-N 3.23Å; Q37-S41 PolarHBondContact O-OG 3.24Å
38	L	56.7	Low	59.3	Low	104 Å²	104	89.7 Å²	89.7	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-68.7	-34.5	172.8	-89.3	78.8	0	0	0	112.2	L34 L35 C40 S41	L34-L38 HydrophobicContact CD1-CD1 3.9Å; L34-L38 HydrophobicContact CG-CD1 3.92Å; L34-L38 WeakPolarHBondContact O-CD1 3.27Å; L34-L38 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 3.5Å; L38-C40 VanDerWaalsContact C-N 3.33Å; L38-S41 WeakPolarHBondContact CA-OG 3.39Å; L38-S41 PolarHBondContact O-OG 3.1Å
39	G	52.1	Low	57.6	Low	45 Å²	45	91.2 Å²	91.2	46%	0.464	53%	0.527	S	S	.	.	H	α-helix	trans	-71.8	-26.6	173.6	0	0	0	0	0	113.5	L35 A36	L35-G39 PolarHBondContact O-N 2.91Å; A36-G39 PolarHBondContact O-N 2.96Å
40	C	43.3	Very low	55.9	Low	74 Å²	74	94.1 Å²	94.1	50%	0.5	53%	0.534	S	S	.	.	H	α-helix	trans	-87.5	-23.5	178.7	-152.2	0	0	0	0	113.3	A36 Q37 L38 A42 Q43	A36-C40 WeakPolarHBondContact O-CB 3.21Å; A36-C40 PolarHBondContact O-N 3.46Å; Q37-C40 PolarHBondContact O-N 2.78Å; L38-C40 VanDerWaalsContact C-N 3.33Å; C40-A42 VanDerWaalsContact C-N 3.29Å; C40-A42 PolarHBondContact O-N 3.1Å; C40-Q43 WeakPolarHBondContact O-CA 3.35Å; C40-Q43 WeakPolarHBondContact O-CB 3.34Å; C40-Q43 PolarHBondContact O-N 2.7Å
41	S	43	Very low	54.2	Low	80 Å²	80	96.9 Å²	96.9	56%	0.559	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.8	173.1	41.3	0	0	0	0	113.9	Q37 L38	Q37-S41 PolarHBondContact O-N 3.23Å; Q37-S41 PolarHBondContact O-OG 3.24Å; L38-S41 WeakPolarHBondContact CA-OG 3.39Å; L38-S41 PolarHBondContact O-OG 3.1Å
42	A	43.4	Very low	52.5	Low	57 Å²	57	97.2 Å²	97.2	47%	0.471	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.4	-8.5	159.5	0	0	0	0	0	112.7	C40 S46	C40-A42 VanDerWaalsContact C-N 3.29Å; C40-A42 PolarHBondContact O-N 3.1Å; A42-S46 PolarHBondContact O-OG 3.48Å
43	Q	41.3	Very low	50.8	Low	61 Å²	61	95.1 Å²	95.1	29%	0.285	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85	-19.3	-177.1	-153.9	93.5	86.4	0	0	112.2	C40 V45 S46 E47	C40-Q43 WeakPolarHBondContact O-CA 3.35Å; C40-Q43 WeakPolarHBondContact O-CB 3.34Å; C40-Q43 PolarHBondContact O-N 2.7Å; Q43-V45 PolarHBondContact O-N 3.41Å; Q43-S46 PolarHBondContact O-N 3.3Å; Q43-E47 HydrophobicContact CG-CG 4.33Å; Q43-E47 PolarHBondContact O-N 3.45Å
44	S	40.1	Very low	49.5	Very low	105 Å²	105	103.2 Å²	103.2	73%	0.734	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-15.4	175.3	60.2	0	0	0	0	113.8
45	V	42.5	Very low	48.4	Very low	127 Å²	127	103.1 Å²	103.1	77%	0.77	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-0.5	176	-89.9	0	0	0	0	113.9	Q43	Q43-V45 PolarHBondContact O-N 3.41Å
46	S	43	Very low	47.3	Very low	65 Å²	65	100.6 Å²	100.6	46%	0.455	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-136.7	22.6	-177.2	85	0	0	0	0	115.7	A42 Q43 C48	A42-S46 PolarHBondContact O-OG 3.48Å; Q43-S46 PolarHBondContact O-N 3.3Å; S46-C48 PolarHBondContact O-N 3.25Å
47	E	43.5	Very low	46.6	Very low	140 Å²	140	108.7 Å²	108.7	65%	0.654	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	8.8	161.5	-82.8	-162.5	161.9	0	0	113.2	Q43	Q43-E47 HydrophobicContact CG-CG 4.33Å; Q43-E47 PolarHBondContact O-N 3.45Å
48	C	48.5	Very low	46.2	Very low	27 Å²	27	105.9 Å²	105.9	18%	0.182	58%	0.581	C	S	.	*	T	Hydrogen-bonded Turn	trans	-71.6	-26.8	176.9	-168.5	0	0	0	0	113.1	S46 C63	S46-C48 PolarHBondContact O-N 3.25Å; C48-C63 HydrophobicContact CB-CB 3.97Å; C48-C63 WeakPolarHBondContact CB-SG 3.18Å; C48-C63 WeakPolarHBondContact SG-CB 3.27Å; C48-C63 CovalentContact SG-SG 2.04Å; C48-C63 PolarHBondContact SG-SG 3.44Å
49	C	47.4	Very low	45.9	Very low	73 Å²	73	104 Å²	104	49%	0.493	57%	0.569	S	S	.	*			trans	-154.5	63.4	-172.4	-64.6	0	0	0	0	114.5	Q51	C49-Q51 VanDerWaalsContact C-N 3.29Å
50	R	45.5	Very low	45.9	Very low	207 Å²	207	105.8 Å²	105.8	78%	0.781	57%	0.57	S	S	*	*	S	Bend	trans	-78.7	-13	168.1	-134.1	-173.6	-178.7	125.4	0.8	113.8
51	Q	44.7	Very low	46.2	Very low	177 Å²	177	108.7 Å²	108.7	83%	0.827	58%	0.58	S	S	*	*	S	Bend	trans	-155.3	113.5	165.7	-102.9	159.3	-1.1	0	0	108.5	C49 A53	C49-Q51 VanDerWaalsContact C-N 3.29Å; Q51-A53 PolarHBondContact O-N 3.37Å; Q51-A53 VanDerWaalsContact O-N 3.08Å
52	P	45.5	Very low	46.7	Very low	107 Å²	107	109 Å²	109	70%	0.695	58%	0.575	S	S	*	*			trans	-69.2	109.4	172.4	26.3	-29.7	0	0	0	108.5	R54	P52-R54 PolarHBondContact O-N 3.47Å
53	A	43.8	Very low	46.8	Very low	62 Å²	62	109.7 Å²	109.7	51%	0.512	58%	0.576	S	S	.	*			trans	-57.8	131.9	158.4	0	0	0	0	0	107.2	Q51 S55 C56	Q51-A53 PolarHBondContact O-N 3.37Å; Q51-A53 VanDerWaalsContact O-N 3.08Å; A53-S55 PolarHBondContact O-N 3.42Å; A53-C56 PolarHBondContact O-N 2.91Å; A53-C56 VanDerWaalsContact O-N 3.1Å
54	R	49.2	Very low	46.9	Very low	269 Å²	269	115.8 Å²	115.8	100%	1.015	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	5.4	-170.7	-64.8	-174.5	-178.1	175.2	0.8	115.7	P52	P52-R54 PolarHBondContact O-N 3.47Å
55	S	48.8	Very low	47.3	Very low	102 Å²	102	116.3 Å²	116.3	71%	0.713	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-0.8	-178.9	57.3	0	0	0	0	115	A53 R57	A53-S55 PolarHBondContact O-N 3.42Å; S55-R57 VanDerWaalsContact C-N 3.33Å; S55-R57 PolarHBondContact O-N 3.45Å
56	C	47.4	Very low	47.5	Very low	51 Å²	51	114 Å²	114	35%	0.345	60%	0.602	S	S	.	*			trans	-82.4	63.3	-175.3	-87.7	0	0	0	0	114.5	A53 L58 Q59	A53-C56 PolarHBondContact O-N 2.91Å; A53-C56 VanDerWaalsContact O-N 3.1Å; C56-L58 VanDerWaalsContact C-N 3.3Å; C56-Q59 HydrophobicContact CB-CB 4.07Å; C56-Q59 PolarHBondContact SG-OE1 2.83Å
57	R	51	Low	47.4	Very low	228 Å²	228	117 Å²	117	86%	0.86	61%	0.613	S	S	*	*	H	α-helix	trans	-68.9	-28.2	167.7	-89.7	-175.5	168.6	-169.9	-2.8	113	S55	S55-R57 VanDerWaalsContact C-N 3.33Å; S55-R57 PolarHBondContact O-N 3.45Å
58	L	50.3	Low	47.6	Very low	63 Å²	63	120.7 Å²	120.7	33%	0.33	63%	0.627	S	S	.	*	H	α-helix	trans	-82.4	-31.7	-173.6	-154.3	150	0	0	0	112.4	C56 V60 L61 L62 L95 L99	C56-L58 VanDerWaalsContact C-N 3.3Å; L58-V60 VanDerWaalsContact C-N 3.31Å; L58-V60 PolarHBondContact O-N 3.03Å; L58-L61 WeakPolarHBondContact O-CB 3.23Å; L58-L61 PolarHBondContact O-N 2.7Å; L58-L61 VanDerWaalsContact O-N 3.16Å; L58-L62 HydrophobicContact CD2-CD1 3.8Å; L58-L62 HydrophobicContact CD2-CG 4.25Å; L58-L62 PolarHBondContact O-N 3.38Å; L58-L95 HydrophobicContact CD1-CD2 4.43Å; L58-L99 HydrophobicContact CD2-CD1 4.4Å
59	Q	49.3	Very low	47.1	Very low	64 Å²	64	124 Å²	124	30%	0.299	65%	0.651	S	S	.	*	H	α-helix	trans	-70.2	-28.2	-179.6	-127.4	167.6	17.3	0	0	113.1	C56 L61 L62 C63	C56-Q59 HydrophobicContact CB-CB 4.07Å; C56-Q59 PolarHBondContact SG-OE1 2.83Å; Q59-L61 VanDerWaalsContact C-N 3.27Å; Q59-L61 PolarHBondContact O-N 3.08Å; Q59-L62 PolarHBondContact O-N 3Å; Q59-C63 VanDerWaalsContact O-CB 3.31Å; Q59-C63 WeakPolarHBondContact O-CB 3.49Å; Q59-C63 PolarHBondContact O-N 3.35Å
60	V	51.8	Low	46.8	Very low	82 Å²	82	127.5 Å²	127.5	50%	0.497	67%	0.67	S	S	.	*	H	α-helix	trans	-64.5	-32.6	172.7	175.5	0	0	0	0	111.5	L58 R64	L58-V60 VanDerWaalsContact C-N 3.31Å; L58-V60 PolarHBondContact O-N 3.03Å; V60-R64 WeakPolarHBondContact O-CB 3.39Å; V60-R64 PolarHBondContact O-N 2.83Å
61	L	50.5	Low	46.2	Very low	135 Å²	135	121.5 Å²	121.5	71%	0.707	67%	0.672	S	S	*	*	H	α-helix	trans	-73	-36.6	176.8	-67.5	166.7	0	0	0	111.8	L58 Q59	L58-L61 WeakPolarHBondContact O-CB 3.23Å; L58-L61 PolarHBondContact O-N 2.7Å; L58-L61 VanDerWaalsContact O-N 3.16Å; Q59-L61 VanDerWaalsContact C-N 3.27Å; Q59-L61 PolarHBondContact O-N 3.08Å
62	L	52.7	Low	45.5	Very low	86 Å²	86	116.5 Å²	116.5	45%	0.45	67%	0.668	S	S	.	*	H	α-helix	trans	-79.8	-30.9	-179.2	-61.8	176.3	0	0	0	113	L58 Q59 L83	L58-L62 HydrophobicContact CD2-CD1 3.8Å; L58-L62 HydrophobicContact CD2-CG 4.25Å; L58-L62 PolarHBondContact O-N 3.38Å; Q59-L62 PolarHBondContact O-N 3Å; L62-L83 HydrophobicContact CD2-CD1 3.68Å
63	C	46.1	Very low	45.2	Very low	72 Å²	72	118.4 Å²	118.4	49%	0.486	68%	0.678	S	S	.	*	H	α-helix	trans	-96.9	-2.5	-177.2	-66.8	0	0	0	0	113.9	C48 Q59	C48-C63 HydrophobicContact CB-CB 3.97Å; C48-C63 WeakPolarHBondContact CB-SG 3.18Å; C48-C63 WeakPolarHBondContact SG-CB 3.27Å; C48-C63 CovalentContact SG-SG 2.04Å; C48-C63 PolarHBondContact SG-SG 3.44Å; Q59-C63 VanDerWaalsContact O-CB 3.31Å; Q59-C63 WeakPolarHBondContact O-CB 3.49Å; Q59-C63 PolarHBondContact O-N 3.35Å
64	R	44	Very low	44.9	Very low	190 Å²	190	123.1 Å²	123.1	72%	0.717	69%	0.693	S	S	*	*			trans	-101.9	29.1	174	-157.3	-174.1	-167.6	172.2	4.9	113.4	V60	V60-R64 WeakPolarHBondContact O-CB 3.39Å; V60-R64 PolarHBondContact O-N 2.83Å
65	S	47.4	Very low	44.4	Very low	116 Å²	116	114.8 Å²	114.8	81%	0.811	68%	0.681	S	S	*	*			trans	-98.7	87.8	163.4	-166.3	0	0	0	0	108.5
66	G	46.3	Very low	44.1	Very low	79 Å²	79	113.1 Å²	113.1	81%	0.814	68%	0.68	S	S	*	*			trans	157.8	39.3	-178	0	0	0	0	0	115
67	N	41.7	Very low	44.2	Very low	127 Å²	127	117.2 Å²	117.2	68%	0.679	70%	0.699	S	S	*	*			trans	-106.9	131.7	156.1	85.5	-6.7	0	0	0	109.3	S69	N67-S69 PolarHBondContact O-N 3.21Å
68	K	47.1	Very low	44	Very low	217 Å²	217	110.3 Å²	110.3	94%	0.943	69%	0.69	S	S	*	*			trans	-60.7	120.2	-175.7	-74	169.1	170.1	-179.8	0	110.6
69	S	39.2	Very low	44.1	Very low	98 Å²	98	111.8 Å²	111.8	69%	0.685	71%	0.712	S	S	*	*			trans	-141.8	118	134	53.4	0	0	0	0	107.4	N67	N67-S69 PolarHBondContact O-N 3.21Å
70	T	40.1	Very low	44.3	Very low	146 Å²	146	112.7 Å²	112.7	90%	0.896	73%	0.73	S	S	*	*	S	Bend	trans	66	97.6	166.7	61.3	0	0	0	0	118.1
71	G	33	Very low	44.3	Very low	80 Å²	80	111.7 Å²	111.7	83%	0.825	74%	0.736	S	S	*	*			trans	108.4	112.6	144.1	0	0	0	0	0	116.9
72	G	30.7	Very low	44.4	Very low	72 Å²	72	112.7 Å²	112.7	74%	0.742	74%	0.74	S	S	*	*			trans	80.8	114.9	149.9	0	0	0	0	0	117.1	I74	G72-I74 PolarHBondContact O-N 2.99Å
73	T	39.1	Very low	44.3	Very low	148 Å²	148	114.1 Å²	114.1	91%	0.908	75%	0.748	S	S	*	*			trans	-56.4	112.3	158.3	43.7	0	0	0	0	110.1
74	I	38	Very low	44.7	Very low	161 Å²	161	116.8 Å²	116.8	83%	0.826	76%	0.762	S	S	*	*			trans	-108.3	103.1	160.5	-56.5	-177.7	0	0	0	106.8	G72	G72-I74 PolarHBondContact O-N 2.99Å
75	A	37.5	Very low	45.2	Very low	94 Å²	94	112.6 Å²	112.6	78%	0.777	75%	0.753	S	S	*	*			trans	-64.9	146.4	165.9	0	0	0	0	0	109.9
76	G	42.9	Very low	45.4	Very low	66 Å²	66	110 Å²	110	68%	0.68	75%	0.745	S	S	*	*	S	Bend	trans	87.3	116.9	157.7	0	0	0	0	0	114.7
77	D	49.6	Very low	45.7	Very low	138 Å²	138	114.6 Å²	114.6	74%	0.738	74%	0.743	S	S	*	*			trans	33.9	91.6	146	-70.2	-31.6	0	0	0	117.4
78	A	47.8	Very low	46.2	Very low	83 Å²	83	118.4 Å²	118.4	69%	0.686	75%	0.747	S	S	*	*			trans	167.2	95.5	132.1	0	0	0	0	0	109.2	A80	A78-A80 HydrophobicContact CB-CB 3.98Å; A78-A80 PolarHBondContact O-N 2.84Å
79	A	52.2	Low	46.5	Very low	94 Å²	94	114.5 Å²	114.5	78%	0.777	74%	0.737	S	S	*	*			trans	-72.2	63	148.7	0	0	0	0	0	108.4	G81	A79-G81 VanDerWaalsContact C-N 3.27Å; A79-G81 PolarHBondContact O-N 3.03Å
80	A	53.3	Low	47.1	Very low	83 Å²	83	117.3 Å²	117.3	69%	0.686	74%	0.739	S	S	*	*			trans	-92.9	65	169.3	0	0	0	0	0	108.1	A78	A78-A80 HydrophobicContact CB-CB 3.98Å; A78-A80 PolarHBondContact O-N 2.84Å
81	G	50.2	Low	47.8	Very low	60 Å²	60	117.1 Å²	117.1	62%	0.619	73%	0.733	S	S	*	*			trans	-83.1	130.3	164	0	0	0	0	0	108.7	A79 L83	A79-G81 VanDerWaalsContact C-N 3.27Å; A79-G81 PolarHBondContact O-N 3.03Å; G81-L83 PolarHBondContact O-N 2.9Å; G81-L83 VanDerWaalsContact O-N 3.11Å
82	I	52.8	Low	48.7	Very low	156 Å²	156	115.1 Å²	115.1	80%	0.8	70%	0.702	S	S	*	*			trans	-69	108.3	172.2	-57.6	174.5	0	0	0	107.5	T84	I82-T84 HydrophobicContact CG2-CG2 4.01Å
83	L	51.2	Low	49.7	Very low	117 Å²	117	116.9 Å²	116.9	61%	0.613	69%	0.694	S	S	*	*			trans	-89.4	103	172.9	-70.2	164.3	0	0	0	109	L62 G81	L62-L83 HydrophobicContact CD2-CD1 3.68Å; G81-L83 PolarHBondContact O-N 2.9Å; G81-L83 VanDerWaalsContact O-N 3.11Å
84	T	55.6	Low	50.3	Low	127 Å²	127	116 Å²	116	78%	0.779	68%	0.679	S	S	*	*			trans	-86.7	107.3	172.6	50.8	0	0	0	0	109.4	I82 G86	I82-T84 HydrophobicContact CG2-CG2 4.01Å; T84-G86 PolarHBondContact O-N 3.34Å
85	L	54.6	Low	51.1	Low	103 Å²	103	112.5 Å²	112.5	54%	0.539	66%	0.662	S	S	.	*			trans	-75.3	118	174.1	-65.2	175.9	0	0	0	109.6
86	G	50.4	Low	52	Low	62 Å²	62	110.8 Å²	110.8	64%	0.639	64%	0.638	S	S	*	*			trans	-81.1	118.2	170.7	0	0	0	0	0	110.7	T84 R88	T84-G86 PolarHBondContact O-N 3.34Å; G86-R88 PolarHBondContact O-N 2.85Å
87	K	51.8	Low	52.8	Low	174 Å²	174	111.3 Å²	111.3	76%	0.757	63%	0.631	S	S	*	*			trans	-34.1	109.3	178.9	-176.7	-173.6	-179.3	-174.1	0	113.9
88	R	54.1	Low	53.1	Low	207 Å²	207	112.3 Å²	112.3	78%	0.781	62%	0.624	S	S	*	*			trans	-142.4	101	165.3	-69.4	-172.3	73.5	109.6	-0.8	113	G86 E92	G86-R88 PolarHBondContact O-N 2.85Å; R88-E92 PolarHBondContact N-OE2 2.88Å; R88-E92 VanDerWaalsContact N-OE2 3.16Å
89	N	51.7	Low	53.7	Low	135 Å²	135	110 Å²	110	72%	0.722	60%	0.6	S	S	*	*			trans	52.5	151.3	163.6	-89.6	4.7	0	0	0	118.7	D91 E92	N89-D91 PolarHBondContact O-N 3.43Å; N89-E92 WeakPolarHBondContact O-CB 2.97Å; N89-E92 PolarHBondContact O-N 3.29Å
90	E	53.3	Low	54.2	Low	157 Å²	157	110 Å²	110	73%	0.734	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-17.4	-166.7	-54.6	-68.1	128	0	0	115.3	E92 L93	E90-E92 PolarHBondContact O-N 3.42Å; E90-L93 PolarHBondContact O-N 2.83Å
91	D	53.5	Low	54.6	Low	143 Å²	143	112.6 Å²	112.6	77%	0.765	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-14.4	173.8	-59.9	-52.2	0	0	0	113.4	N89	N89-D91 PolarHBondContact O-N 3.43Å
92	E	51.9	Low	54.9	Low	37 Å²	37	115.2 Å²	115.2	17%	0.173	58%	0.581	C	S	.	*	H	α-helix	trans	-77.8	-21.1	-177.5	-163.1	165.7	-168.3	0	0	113.3	R88 N89 E90 H94 L95 Q96	R88-E92 PolarHBondContact N-OE2 2.88Å; R88-E92 VanDerWaalsContact N-OE2 3.16Å; N89-E92 WeakPolarHBondContact O-CB 2.97Å; N89-E92 PolarHBondContact O-N 3.29Å; E90-E92 PolarHBondContact O-N 3.42Å; E92-H94 VanDerWaalsContact C-N 3.26Å; E92-H94 PolarHBondContact O-N 3.34Å; E92-L95 WeakPolarHBondContact O-CB 3.45Å; E92-L95 PolarHBondContact O-N 3.01Å; E92-L95 VanDerWaalsContact O-N 3.15Å; E92-Q96 VanDerWaalsContact O-CG 3.24Å; E92-Q96 WeakPolarHBondContact O-CG 3.24Å; E92-Q96 PolarHBondContact O-N 3.49Å
93	L	52.3	Low	55.2	Low	110 Å²	110	111.1 Å²	111.1	58%	0.576	56%	0.56	S	S	*	*	H	α-helix	trans	-59.7	-36.7	175.3	-81.3	158.8	0	0	0	112.2	E90 Q96 S97	E90-L93 PolarHBondContact O-N 2.83Å; L93-Q96 PolarHBondContact O-N 3.38Å; L93-S97 PolarHBondContact O-N 2.8Å
94	H	51.8	Low	55.4	Low	130 Å²	130	112 Å²	112	60%	0.602	56%	0.561	S	S	*	*	H	α-helix	trans	-77.8	-28	179.8	-149.8	-71.1	0	0	0	112.3	E92 R98	E92-H94 VanDerWaalsContact C-N 3.26Å; E92-H94 PolarHBondContact O-N 3.34Å; H94-R98 PolarHBondContact O-N 3.2Å
95	L	53.7	Low	55.2	Low	87 Å²	87	109 Å²	109	46%	0.455	56%	0.556	S	S	.	*	H	α-helix	trans	-72.3	-36.9	172.4	-173.7	66.4	0	0	0	111	L58 E92 R98 L99	L58-L95 HydrophobicContact CD1-CD2 4.43Å; E92-L95 WeakPolarHBondContact O-CB 3.45Å; E92-L95 PolarHBondContact O-N 3.01Å; E92-L95 VanDerWaalsContact O-N 3.15Å; L95-R98 PolarHBondContact O-N 2.82Å; L95-L99 WeakPolarHBondContact O-CB 3.4Å; L95-L99 PolarHBondContact O-N 3.5Å
96	Q	57.1	Low	54.9	Low	58 Å²	58	110.4 Å²	110.4	27%	0.271	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-43.9	177.6	-74.2	171.3	15.8	0	0	112.4	E92 L93 R98 L99 H100 M116	E92-Q96 VanDerWaalsContact O-CG 3.24Å; E92-Q96 WeakPolarHBondContact O-CG 3.24Å; E92-Q96 PolarHBondContact O-N 3.49Å; L93-Q96 PolarHBondContact O-N 3.38Å; Q96-R98 VanDerWaalsContact C-N 3.34Å; Q96-R98 PolarHBondContact O-N 3.35Å; Q96-L99 PolarHBondContact O-N 2.95Å; Q96-H100 WeakPolarHBondContact O-CB 3.23Å; Q96-H100 PolarHBondContact O-N 3.48Å; Q96-M116 VanDerWaalsContact OE1-CE 3.24Å
97	S	59.8	Low	55	Low	76 Å²	76	117.5 Å²	117.5	53%	0.531	57%	0.567	S	S	.	*	H	α-helix	trans	-59.9	-43.7	175	-180	0	0	0	0	111.9	L93 H100 Q101	L93-S97 PolarHBondContact O-N 2.8Å; S97-H100 PolarHBondContact O-N 3.42Å; S97-Q101 WeakPolarHBondContact O-CB 3.25Å; S97-Q101 PolarHBondContact O-N 2.91Å
98	R	56.8	Low	54.9	Low	159 Å²	159	113.7 Å²	113.7	60%	0.6	56%	0.555	S	S	*	*	H	α-helix	trans	-68.3	-38.3	178.4	-71.9	-177.9	178.5	-123.3	3.8	113	H94 L95 Q96 Q101 L102	H94-R98 PolarHBondContact O-N 3.2Å; L95-R98 PolarHBondContact O-N 2.82Å; Q96-R98 VanDerWaalsContact C-N 3.34Å; Q96-R98 PolarHBondContact O-N 3.35Å; R98-Q101 PolarHBondContact O-N 3.34Å; R98-L102 WeakPolarHBondContact O-CB 3.36Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.33Å; R98-L102 PolarHBondContact O-N 3.23Å
99	L	60.4	Low	54.8	Low	35 Å²	35	111.8 Å²	111.8	18%	0.183	56%	0.555	C	S	.	*	H	α-helix	trans	-68.4	-41.7	177.2	-175.2	64.5	0	0	0	111.2	L58 L95 Q96 Q101 L102 L103	L58-L99 HydrophobicContact CD2-CD1 4.4Å; L95-L99 WeakPolarHBondContact O-CB 3.4Å; L95-L99 PolarHBondContact O-N 3.5Å; Q96-L99 PolarHBondContact O-N 2.95Å; L99-Q101 VanDerWaalsContact C-N 3.28Å; L99-Q101 PolarHBondContact O-N 2.99Å; L99-L102 PolarHBondContact O-N 2.86Å; L99-L103 HydrophobicContact CG-CD1 4.24Å; L99-L103 WeakPolarHBondContact O-CG 3.03Å; L99-L103 PolarHBondContact O-N 2.94Å
100	H	62.3	Low	55.1	Low	93 Å²	93	107.9 Å²	107.9	43%	0.431	54%	0.541	S	S	.	.	H	α-helix	trans	-59.7	-41.6	174.9	-163.8	77.6	0	0	0	111.4	Q96 S97 L103 H104	Q96-H100 WeakPolarHBondContact O-CB 3.23Å; Q96-H100 PolarHBondContact O-N 3.48Å; S97-H100 PolarHBondContact O-N 3.42Å; H100-L103 PolarHBondContact O-N 3.11Å; H100-H104 AromaticContact CD2-CE1 3.91Å; H100-H104 AromaticContact CD2-ND1 3.71Å; H100-H104 AromaticContact CE1-CE1 3.24Å; H100-H104 PolarHBondContact CE1-CE1 2.73Å; H100-H104 AromaticContact CE1-ND1 3.69Å; H100-H104 AromaticContact CG-ND1 3.97Å; H100-H104 AromaticContact ND1-CE1 3.88Å; H100-H104 AromaticContact ND1-ND1 3.94Å; H100-H104 AromaticContact NE2-CE1 3.23Å; H100-H104 PolarHBondContact NE2-CE1 2.87Å; H100-H104 AromaticContact NE2-ND1 3.53Å; H100-H104 AromaticContact NE2-NE2 3.91Å; H100-H104 WeakPolarHBondContact O-CB 3.48Å; H100-H104 PolarHBondContact O-N 2.86Å; H100-H104 PolarHBondContact O-ND1 2.83Å; H100-H104 VanDerWaalsContact O-ND1 3.1Å
101	Q	60.6	Low	55	Low	139 Å²	139	104.9 Å²	104.9	65%	0.65	54%	0.544	S	S	*	.	H	α-helix	trans	-68.9	-34.4	174.9	-171.1	167.2	-5.7	0	0	113.2	S97 R98 L99 G105	S97-Q101 WeakPolarHBondContact O-CB 3.25Å; S97-Q101 PolarHBondContact O-N 2.91Å; R98-Q101 PolarHBondContact O-N 3.34Å; L99-Q101 VanDerWaalsContact C-N 3.28Å; L99-Q101 PolarHBondContact O-N 2.99Å; Q101-G105 WeakPolarHBondContact O-CA 3.48Å; Q101-G105 PolarHBondContact O-N 3.1Å
102	L	57.6	Low	54.9	Low	114 Å²	114	100.6 Å²	100.6	60%	0.597	53%	0.533	S	S	*	.	H	α-helix	trans	-67.4	-38.4	173.9	-77	168.2	0	0	0	112.2	R98 L99	R98-L102 WeakPolarHBondContact O-CB 3.36Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.33Å; R98-L102 PolarHBondContact O-N 3.23Å; L99-L102 PolarHBondContact O-N 2.86Å
103	L	59.5	Low	55	Low	71 Å²	71	106 Å²	106	37%	0.372	56%	0.561	S	S	.	*	H	α-helix	trans	-75	-36	177.6	-67.6	173.2	0	0	0	112.2	L99 H100	L99-L103 HydrophobicContact CG-CD1 4.24Å; L99-L103 WeakPolarHBondContact O-CG 3.03Å; L99-L103 PolarHBondContact O-N 2.94Å; H100-L103 PolarHBondContact O-N 3.11Å
104	H	54.6	Low	55.1	Low	135 Å²	135	105.2 Å²	105.2	63%	0.625	56%	0.557	S	S	*	*	H	α-helix	trans	-80	-32.8	176.8	-82.9	73.2	0	0	0	113.7	H100	H100-H104 AromaticContact CD2-CE1 3.91Å; H100-H104 AromaticContact CD2-ND1 3.71Å; H100-H104 AromaticContact CE1-CE1 3.24Å; H100-H104 PolarHBondContact CE1-CE1 2.73Å; H100-H104 AromaticContact CE1-ND1 3.69Å; H100-H104 AromaticContact CG-ND1 3.97Å; H100-H104 AromaticContact ND1-CE1 3.88Å; H100-H104 AromaticContact ND1-ND1 3.94Å; H100-H104 AromaticContact NE2-CE1 3.23Å; H100-H104 PolarHBondContact NE2-CE1 2.87Å; H100-H104 AromaticContact NE2-ND1 3.53Å; H100-H104 AromaticContact NE2-NE2 3.91Å; H100-H104 WeakPolarHBondContact O-CB 3.48Å; H100-H104 PolarHBondContact O-N 2.86Å; H100-H104 PolarHBondContact O-ND1 2.83Å; H100-H104 VanDerWaalsContact O-ND1 3.1Å
105	G	51.3	Low	55.4	Low	65 Å²	65	104.9 Å²	104.9	67%	0.67	56%	0.564	S	S	*	*	H	α-helix	trans	-77.3	-26.5	-175.1	0	0	0	0	0	114	Q101	Q101-G105 WeakPolarHBondContact O-CA 3.48Å; Q101-G105 PolarHBondContact O-N 3.1Å
106	R	48.4	Very low	55.6	Low	131 Å²	131	107.6 Å²	107.6	49%	0.494	58%	0.576	S	S	.	*	S	Bend	trans	-88.9	119.4	166.9	-99.8	176.2	152.8	-168.8	-4.4	107.1	N108	R106-N108 HydrophobicContact CB-CB 4.2Å; R106-N108 PolarHBondContact O-N 3Å
107	K	52.8	Low	55.4	Low	212 Å²	212	108.4 Å²	108.4	92%	0.922	60%	0.601	S	S	*	*			trans	-63.4	39	167.2	-68.6	179.8	174.4	179.6	0	112.3
108	N	50.4	Low	55.2	Low	93 Å²	93	114 Å²	114	50%	0.497	62%	0.615	S	S	.	*			trans	-89.9	127.9	179.9	-74.3	5.6	0	0	0	107.5	R106 A110	R106-N108 HydrophobicContact CB-CB 4.2Å; R106-N108 PolarHBondContact O-N 3Å; N108-A110 PolarHBondContact O-N 3.27Å
109	Q	51.3	Low	55.3	Low	168 Å²	168	115.8 Å²	115.8	79%	0.785	62%	0.622	S	S	*	*	S	Bend	trans	-64.3	14.2	-177.1	-57.1	177.3	18.9	0	0	114.5	A111	Q109-A111 PolarHBondContact O-N 3.22Å
110	A	57.2	Low	54.8	Low	52 Å²	52	119.4 Å²	119.4	43%	0.43	65%	0.646	S	S	.	*			trans	-79.3	72.6	171.8	0	0	0	0	0	109.3	N108 G112	N108-A110 PolarHBondContact O-N 3.27Å; A110-G112 PolarHBondContact O-N 3.18Å
111	A	51.1	Low	54.5	Low	95 Å²	95	119.3 Å²	119.3	79%	0.785	66%	0.661	S	S	*	*			trans	-68.8	79.4	165.4	0	0	0	0	0	108.8	Q109 I113	Q109-A111 PolarHBondContact O-N 3.22Å; A111-I113 PolarHBondContact O-N 3.16Å
112	G	53.2	Low	54.1	Low	52 Å²	52	119.6 Å²	119.6	54%	0.536	66%	0.663	S	S	.	*			trans	-72.8	118.6	169.9	0	0	0	0	0	109.6	A110 L114	A110-G112 PolarHBondContact O-N 3.18Å; G112-L114 PolarHBondContact O-N 3.03Å
113	I	53.7	Low	53.9	Low	151 Å²	151	123.2 Å²	123.2	77%	0.774	67%	0.668	S	S	*	*			trans	-72.8	110.8	174.1	-57.9	175.4	0	0	0	107.9	A111 T115	A111-I113 PolarHBondContact O-N 3.16Å; I113-T115 HydrophobicContact CG2-CG2 3.75Å; I113-T115 PolarHBondContact O-N 3.14Å
114	L	54.5	Low	53.4	Low	94 Å²	94	125 Å²	125	49%	0.492	68%	0.678	S	S	.	*			trans	-85.8	96	172.7	-66.2	170.5	0	0	0	109.2	G112	G112-L114 PolarHBondContact O-N 3.03Å
115	T	56.5	Low	53.3	Low	122 Å²	122	128.4 Å²	128.4	75%	0.748	69%	0.686	S	S	*	*			trans	-92.4	106.5	171.6	58.3	0	0	0	0	110.2	I113	I113-T115 HydrophobicContact CG2-CG2 3.75Å; I113-T115 PolarHBondContact O-N 3.14Å
116	M	58.1	Low	53.2	Low	144 Å²	144	133.3 Å²	133.3	71%	0.709	69%	0.691	S	S	*	*			trans	-92.5	118.2	173.5	-58.3	-174.1	95.6	0	0	109.9	Q96 K118	Q96-M116 VanDerWaalsContact OE1-CE 3.24Å; M116-K118 PolarHBondContact O-N 2.89Å
117	G	53.8	Low	52.7	Low	76 Å²	76	139.8 Å²	139.8	78%	0.784	73%	0.727	S	S	*	*			trans	-80.1	115.3	171.7	0	0	0	0	0	110.9	R119	G117-R119 PolarHBondContact O-N 3.03Å
118	K	56	Low	52.7	Low	193 Å²	193	136.2 Å²	136.2	84%	0.839	72%	0.717	S	S	*	*			trans	-71.7	112.1	170.1	-176.1	-176.5	179.6	-175.8	0	108.4	M116	M116-K118 PolarHBondContact O-N 2.89Å
119	R	58	Low	52.8	Low	197 Å²	197	138.4 Å²	138.4	74%	0.743	73%	0.728	S	S	*	*			trans	-87.5	112.5	161.6	-66.7	-171.9	-172.6	125.7	2.8	106.9	G117 A121	G117-R119 PolarHBondContact O-N 3.03Å; R119-A121 PolarHBondContact O-N 3.05Å
120	T	50.3	Low	52.9	Low	110 Å²	110	136.8 Å²	136.8	68%	0.675	73%	0.725	S	S	*	*			trans	-52.6	113.8	154.4	36.1	0	0	0	0	105.5	E122	T120-E122 PolarHBondContact O-N 3.01Å
121	A	56	Low	52.7	Low	91 Å²	91	141.8 Å²	141.8	75%	0.752	74%	0.743	S	S	*	*			trans	-66.1	89.3	158.7	0	0	0	0	0	104	R119 R123	R119-A121 PolarHBondContact O-N 3.05Å; A121-R123 PolarHBondContact O-N 3.18Å
122	E	51.3	Low	52.8	Low	146 Å²	146	144.7 Å²	144.7	68%	0.682	74%	0.74	S	S	*	*			trans	-59.2	82.8	157	-173.3	175	-165.3	0	0	104.9	T120 D124	T120-E122 PolarHBondContact O-N 3.01Å; E122-D124 WeakPolarHBondContact CG-OD1 3.48Å; E122-D124 PolarHBondContact O-N 2.69Å
123	R	53.2	Low	52.7	Low	190 Å²	190	150.9 Å²	150.9	72%	0.717	75%	0.754	S	S	*	*			trans	-76.1	91.7	145.6	-67.5	-151.5	-157.1	-152.4	10.3	103.3	A121 R125	A121-R123 PolarHBondContact O-N 3.18Å; R123-R125 PolarHBondContact O-N 2.94Å
124	D	50	Low	52.7	Low	109 Å²	109	150.9 Å²	150.9	58%	0.583	75%	0.752	S	S	*	*			trans	-54.8	93.6	148.8	-65.7	-35.1	0	0	0	106.3	E122	E122-D124 WeakPolarHBondContact CG-OD1 3.48Å; E122-D124 PolarHBondContact O-N 2.69Å
125	R	53	Low	52.5	Low	206 Å²	206	155.2 Å²	155.2	78%	0.777	77%	0.772	S	S	*	*			trans	-102.7	75.5	154.7	-82.3	-171.2	172.2	162.1	-4.4	105.5	R123	R123-R125 PolarHBondContact O-N 2.94Å
126	E	47.9	Very low	52.2	Low	168 Å²	168	158 Å²	158	79%	0.785	77%	0.774	S	S	*	*			trans	-115.4	99.2	154.3	-73.2	-179.7	118.3	0	0	104
127	Q	38.8	Very low	51.7	Low	266 Å²	266	159.3 Å²	159.3	100%	1.243	78%	0.78	S	S	*	*				64.5	0	104.8	-80.7	-171.3	53.8	0	0	112.7

Retrieved 127 of 127 residues in 117.1 ms (Link to these results)

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