A0A077ZQT8_TRITR Loading...

Protein CBG01076

AlphaFold DB , UniProt , Accession A0A077ZQT8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 92 aa.

						>A0A077ZQT8_TRITR|A0A077ZQT8
MSNPDLREHIAVSSPGNEAHSTPCAAASPQLCTYAAKLIRMTLLRHFSDSDEPRHLSSLSNYYPFSPWGLLLHVIANSDLVADFETSIIAFP
					

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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	40.1	Very low	45.1	Very low	247 Å²	247	150.5 Å²	150.5	100%	1.217	79%	0.786	S	S	*	*				0	94.4	0	-79.7	157.6	139.1	0	0	106.3
2	S	49.2	Very low	44.4	Very low	119 Å²	119	149.7 Å²	149.7	83%	0.832	79%	0.792	S	S	*	*			trans	-122.2	129.5	-174.5	-55.3	0	0	0	0	108.1
3	N	43	Very low	44	Very low	123 Å²	123	145.9 Å²	145.9	66%	0.658	79%	0.785	S	S	*	*			trans	-62.3	124.1	-162.6	-158.2	-8.8	0	0	0	112.7	D5	N3-D5 PolarHBondContact O-N 3.29Å
4	P	53.1	Low	43.3	Very low	107 Å²	107	144.3 Å²	144.3	70%	0.695	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-71.8	-4.2	179.3	26.2	-32.2	0	0	0	115.3	L6	P4-L6 VanDerWaalsContact C-N 3.33Å; P4-L6 PolarHBondContact O-N 3.28Å
5	D	54.1	Low	42.9	Very low	117 Å²	117	142.1 Å²	142.1	63%	0.626	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-77.6	4.6	-168.4	-113.4	-93.2	0	0	0	117.4	N3	N3-D5 PolarHBondContact O-N 3.29Å
6	L	45.4	Very low	42.3	Very low	156 Å²	156	137.4 Å²	137.4	82%	0.817	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-113.1	3.1	-175.3	-93.5	131.6	0	0	0	115.4	P4	P4-L6 VanDerWaalsContact C-N 3.33Å; P4-L6 PolarHBondContact O-N 3.28Å
7	R	43	Very low	42	Very low	218 Å²	218	139.5 Å²	139.5	82%	0.823	79%	0.789	S	S	*	*	S	Bend	trans	-101.1	-4.7	173.5	-74.4	-177.4	87.4	-152	7.5	114.4
8	E	44.5	Very low	41.8	Very low	168 Å²	168	141.6 Å²	141.6	79%	0.785	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-0.6	-177.7	-58.5	-159.6	152.7	0	0	114.2
9	H	42.7	Very low	41.7	Very low	177 Å²	177	138.4 Å²	138.4	82%	0.819	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	10.7	171	-90.4	-78.4	0	0	0	114.3	A11	H9-A11 PolarHBondContact O-N 3.19Å
10	I	44.4	Very low	41.7	Very low	149 Å²	149	140.6 Å²	140.6	76%	0.764	79%	0.787	S	S	*	*	S	Bend	trans	-76.3	85	158	-58.8	176.5	0	0	0	106.2	V12	I10-V12 PolarHBondContact O-N 2.92Å
11	A	36.5	Very low	41.6	Very low	74 Å²	74	137.6 Å²	137.6	61%	0.612	78%	0.776	S	S	*	*			trans	-19.9	111.1	177.9	0	0	0	0	0	114.9	H9 S13	H9-A11 PolarHBondContact O-N 3.19Å; A11-S13 VanDerWaalsContact C-N 3.33Å; A11-S13 PolarHBondContact O-N 2.94Å
12	V	36.6	Very low	41.9	Very low	141 Å²	141	126.9 Å²	126.9	86%	0.855	72%	0.724	S	S	*	*				-1.9	88.2	119	179.7	0	0	0	0	112.1	I10	I10-V12 PolarHBondContact O-N 2.92Å
13	S	39	Very low	41.8	Very low	101 Å²	101	125.3 Å²	125.3	71%	0.706	71%	0.711	S	S	*	*			trans	-165.3	58.8	162.8	-72.7	0	0	0	0	108.2	A11	A11-S13 VanDerWaalsContact C-N 3.33Å; A11-S13 PolarHBondContact O-N 2.94Å
14	S	34.5	Very low	41.7	Very low	123 Å²	123	120.7 Å²	120.7	86%	0.86	69%	0.688	S	S	*	*			trans	-145.9	96	157.8	-85.3	0	0	0	0	108.5
15	P	37.2	Very low	41.3	Very low	112 Å²	112	119 Å²	119	73%	0.727	68%	0.684	S	S	*	*			trans	-127.1	119.4	139.4	31.8	-17.6	0	0	0	109.3
16	G	34.5	Very low	41	Very low	67 Å²	67	117.3 Å²	117.3	69%	0.691	69%	0.686	S	S	*	*	S	Bend	trans	40.2	117.4	148.9	0	0	0	0	0	120.2	E18	G16-E18 VanDerWaalsContact C-N 3.34Å; G16-E18 PolarHBondContact O-N 3.01Å
17	N	36.3	Very low	41.4	Very low	173 Å²	173	113.3 Å²	113.3	93%	0.925	68%	0.675	S	S	*	*			trans	66.1	19.5	130.9	-152.9	54.5	0	0	0	118.7
18	E	38.6	Very low	41.9	Very low	177 Å²	177	105.5 Å²	105.5	83%	0.827	65%	0.654	S	S	*	*			trans	-89.5	111.7	165.4	-62	-166.1	110.1	0	0	107.8	G16 H20	G16-E18 VanDerWaalsContact C-N 3.34Å; G16-E18 PolarHBondContact O-N 3.01Å; E18-H20 PolarHBondContact O-N 3.09Å
19	A	39.5	Very low	42.4	Very low	80 Å²	80	102 Å²	102	66%	0.661	65%	0.645	S	S	*	*			trans	-40.9	110.9	165.2	0	0	0	0	0	107.6	S21	A19-S21 PolarHBondContact O-N 2.87Å; A19-S21 PolarHBondContact O-OG 2.62Å; A19-S21 VanDerWaalsContact O-OG 3.09Å
20	H	41.1	Very low	42.8	Very low	183 Å²	183	101.3 Å²	101.3	85%	0.847	64%	0.643	S	S	*	*			trans	-60.8	85.2	166.6	-124.2	150	0	0	0	103.9	E18 T22	E18-H20 PolarHBondContact O-N 3.09Å; H20-T22 PolarHBondContact O-N 3.22Å
21	S	41.4	Very low	43	Very low	78 Å²	78	100 Å²	100	55%	0.545	64%	0.636	S	S	.	*			trans	-71.8	90	177.1	-60.2	0	0	0	0	101.1	A19	A19-S21 PolarHBondContact O-N 2.87Å; A19-S21 PolarHBondContact O-OG 2.62Å; A19-S21 VanDerWaalsContact O-OG 3.09Å
22	T	45.7	Very low	43.6	Very low	21 Å²	21	97.4 Å²	97.4	13%	0.129	61%	0.614	C	S	.	*			trans	-43.9	133	175.2	43.8	0	0	0	0	105.6	H20 C24 A25 A26 D79	H20-T22 PolarHBondContact O-N 3.22Å; T22-C24 CarbonylContact O-C 3.49Å; T22-C24 PolarHBondContact O-N 2.8Å; T22-A25 PolarHBondContact O-N 3.4Å; T22-A25 WeakPolarHBondContact OG1-CB 3.27Å; T22-A25 PolarHBondContact OG1-N 3.36Å; T22-A26 PolarHBondContact O-N 3.26Å; T22-D79 HydrophobicContact CG2-CB 4.22Å
23	P	46.2	Very low	44.6	Very low	87 Å²	87	94.5 Å²	94.5	57%	0.565	60%	0.597	S	S	*	*	H	α-helix	trans	-52.5	-20	-179.8	18.7	-30.2	0	0	0	111	A27	P23-A27 WeakPolarHBondContact O-CB 2.99Å; P23-A27 PolarHBondContact O-N 3.33Å
24	C	42.6	Very low	45.3	Very low	26 Å²	26	96.8 Å²	96.8	18%	0.176	59%	0.591	C	S	.	*	H	α-helix	trans	-69.3	-43	169	-108.4	0	0	0	0	117.8	T22 A26 C32	T22-C24 CarbonylContact O-C 3.49Å; T22-C24 PolarHBondContact O-N 2.8Å; C24-A26 VanDerWaalsContact C-N 3.28Å; C24-A26 PolarHBondContact O-N 2.75Å; C24-C32 WeakPolarHBondContact CA-SG 3.15Å; C24-C32 HydrophobicContact CB-CB 3.76Å; C24-C32 WeakPolarHBondContact CB-SG 3.46Å; C24-C32 PolarHBondContact O-SG 2.79Å; C24-C32 VanDerWaalsContact SG-CA 3.54Å; C24-C32 WeakPolarHBondContact SG-CB 3.48Å; C24-C32 CovalentContact SG-SG 2Å; C24-C32 PolarHBondContact SG-SG 3.35Å
25	A	43.3	Very low	46.3	Very low	72 Å²	72	92.6 Å²	92.6	60%	0.595	56%	0.563	S	S	*	*	H	α-helix	trans	-68.4	-27.8	176.3	0	0	0	0	0	112.7	T22	T22-A25 PolarHBondContact O-N 3.4Å; T22-A25 WeakPolarHBondContact OG1-CB 3.27Å; T22-A25 PolarHBondContact OG1-N 3.36Å
26	A	48.3	Very low	47.3	Very low	81 Å²	81	88.5 Å²	88.5	67%	0.669	54%	0.539	S	S	*	.	H	α-helix	trans	-88	-30.1	-178.8	0	0	0	0	0	114.3	T22 C24	T22-A26 PolarHBondContact O-N 3.26Å; C24-A26 VanDerWaalsContact C-N 3.28Å; C24-A26 PolarHBondContact O-N 2.75Å
27	A	52.8	Low	48.6	Very low	71 Å²	71	91.3 Å²	91.3	59%	0.587	53%	0.532	S	S	*	.	H	α-helix	trans	-96.4	-28.4	-167.1	0	0	0	0	0	115.3	P23	P23-A27 WeakPolarHBondContact O-CB 2.99Å; P23-A27 PolarHBondContact O-N 3.33Å
28	S	54	Low	49.9	Very low	54 Å²	54	86.8 Å²	86.8	38%	0.378	51%	0.508	S	S	.	.			trans	160.8	116.1	168	-84.1	0	0	0	0	108	Q30 L31 C32	S28-Q30 PolarHBondContact O-N 3.19Å; S28-L31 WeakPolarHBondContact O-CB 3.28Å; S28-L31 PolarHBondContact O-N 3.47Å; S28-C32 PolarHBondContact O-N 2.84Å
29	P	54.4	Low	51	Low	95 Å²	95	79.5 Å²	79.5	62%	0.617	47%	0.474	S	S	*	.	H	α-helix	trans	-56.6	-30.2	-179.6	20.5	-31.4	0	0	0	112.4	C32 T33	P29-C32 WeakPolarHBondContact O-CB 3.37Å; P29-C32 PolarHBondContact O-N 2.95Å; P29-T33 PolarHBondContact O-N 3.45Å; P29-T33 PolarHBondContact O-OG1 3.37Å; P29-T33 VanDerWaalsContact O-OG1 3.04Å
30	Q	51.8	Low	52.1	Low	162 Å²	162	82.7 Å²	82.7	76%	0.757	47%	0.469	S	S	*	.	H	α-helix	trans	-65.4	-38.9	175.8	-62	-169.8	1	0	0	113.4	S28 C32 T33 Y34	S28-Q30 PolarHBondContact O-N 3.19Å; Q30-C32 PolarHBondContact O-N 2.82Å; Q30-T33 PolarHBondContact O-N 2.78Å; Q30-Y34 VanDerWaalsContact O-CB 3.23Å; Q30-Y34 WeakPolarHBondContact O-CB 3.47Å; Q30-Y34 PolarHBondContact O-N 3.4Å
31	L	49.6	Very low	53.2	Low	121 Å²	121	80 Å²	80	63%	0.634	46%	0.458	S	S	*	.	H	α-helix	trans	-64.9	-34.8	178	-120	108	0	0	0	110.7	S28 Y34 A35	S28-L31 WeakPolarHBondContact O-CB 3.28Å; S28-L31 PolarHBondContact O-N 3.47Å; L31-Y34 PolarHBondContact O-N 3.05Å; L31-A35 VanDerWaalsContact O-CB 3.26Å; L31-A35 WeakPolarHBondContact O-CB 3.18Å; L31-A35 PolarHBondContact O-N 3.04Å
32	C	48.9	Very low	54.1	Low	21 Å²	21	80.4 Å²	80.4	14%	0.142	46%	0.458	C	S	.	.	H	α-helix	trans	-72.7	-45.6	179.9	-63.4	0	0	0	0	112.5	C24 S28 P29 Q30 Y34 A35 A36	C24-C32 WeakPolarHBondContact CA-SG 3.15Å; C24-C32 HydrophobicContact CB-CB 3.76Å; C24-C32 WeakPolarHBondContact CB-SG 3.46Å; C24-C32 PolarHBondContact O-SG 2.79Å; C24-C32 VanDerWaalsContact SG-CA 3.54Å; C24-C32 WeakPolarHBondContact SG-CB 3.48Å; C24-C32 CovalentContact SG-SG 2Å; C24-C32 PolarHBondContact SG-SG 3.35Å; S28-C32 PolarHBondContact O-N 2.84Å; P29-C32 WeakPolarHBondContact O-CB 3.37Å; P29-C32 PolarHBondContact O-N 2.95Å; Q30-C32 PolarHBondContact O-N 2.82Å; C32-Y34 VanDerWaalsContact C-N 3.25Å; C32-Y34 PolarHBondContact O-N 3.4Å; C32-A35 PolarHBondContact O-N 3.04Å; C32-A36 VanDerWaalsContact O-CB 3.27Å; C32-A36 WeakPolarHBondContact O-CB 3.08Å; C32-A36 PolarHBondContact O-N 3.45Å
33	T	57	Low	54.8	Low	80 Å²	80	80.2 Å²	80.2	49%	0.491	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-38.4	171.6	-49.6	0	0	0	0	111.1	P29 Q30 K37	P29-T33 PolarHBondContact O-N 3.45Å; P29-T33 PolarHBondContact O-OG1 3.37Å; P29-T33 VanDerWaalsContact O-OG1 3.04Å; Q30-T33 PolarHBondContact O-N 2.78Å; T33-K37 HydrophobicContact CG2-CD 4.49Å; T33-K37 WeakPolarHBondContact O-CB 3.27Å; T33-K37 VanDerWaalsContact O-CG 3.31Å; T33-K37 WeakPolarHBondContact O-CG 3.46Å; T33-K37 PolarHBondContact O-N 3.33Å
34	Y	53.8	Low	55.5	Low	149 Å²	149	79.8 Å²	79.8	58%	0.584	45%	0.448	S	S	*	.	H	α-helix	trans	-67.7	-46.5	177.6	-176.1	-104.3	0	0	0	112.2	Q30 L31 C32 A36 K37 L38	Q30-Y34 VanDerWaalsContact O-CB 3.23Å; Q30-Y34 WeakPolarHBondContact O-CB 3.47Å; Q30-Y34 PolarHBondContact O-N 3.4Å; L31-Y34 PolarHBondContact O-N 3.05Å; C32-Y34 VanDerWaalsContact C-N 3.25Å; C32-Y34 PolarHBondContact O-N 3.4Å; Y34-A36 PolarHBondContact O-N 2.88Å; Y34-K37 PolarHBondContact O-N 2.93Å; Y34-L38 HydrophobicContact CD1-CD1 3.77Å; Y34-L38 HydrophobicContact CD1-CG 4.41Å; Y34-L38 HydrophobicContact CE1-CD1 3.26Å; Y34-L38 HydrophobicContact CE1-CG 4.02Å; Y34-L38 PolarHBondContact O-N 3.04Å
35	A	55.3	Low	56.4	Low	34 Å²	34	88.4 Å²	88.4	28%	0.281	48%	0.477	S	S	.	.	H	α-helix	trans	-59.5	-46.8	174.8	0	0	0	0	0	111	L31 C32 K37 L38 I39	L31-A35 VanDerWaalsContact O-CB 3.26Å; L31-A35 WeakPolarHBondContact O-CB 3.18Å; L31-A35 PolarHBondContact O-N 3.04Å; C32-A35 PolarHBondContact O-N 3.04Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 3.47Å; A35-L38 PolarHBondContact O-N 3.49Å; A35-I39 WeakPolarHBondContact O-CB 3.15Å; A35-I39 WeakPolarHBondContact O-CG1 3.3Å; A35-I39 PolarHBondContact O-N 2.86Å
36	A	58.8	Low	57	Low	26 Å²	26	89 Å²	89	22%	0.215	47%	0.467	C	S	.	.	H	α-helix	trans	-59.9	-40.5	176.2	0	0	0	0	0	112.8	C32 Y34 I39 R40 L80	C32-A36 VanDerWaalsContact O-CB 3.27Å; C32-A36 WeakPolarHBondContact O-CB 3.08Å; C32-A36 PolarHBondContact O-N 3.45Å; Y34-A36 PolarHBondContact O-N 2.88Å; A36-I39 PolarHBondContact O-N 2.78Å; A36-R40 WeakPolarHBondContact O-CB 3.36Å; A36-R40 PolarHBondContact O-N 3.37Å; A36-L80 HydrophobicContact CB-CD1 4.07Å; A36-L80 HydrophobicContact CB-CD2 3.55Å
37	K	61	Low	57.4	Low	127 Å²	127	88.9 Å²	88.9	55%	0.552	45%	0.452	S	S	*	.	H	α-helix	trans	-64.7	-44.3	174.7	-79.3	177.1	-179.9	178.7	0	112.3	T33 Y34 A35 I39 R40 M41	T33-K37 HydrophobicContact CG2-CD 4.49Å; T33-K37 WeakPolarHBondContact O-CB 3.27Å; T33-K37 VanDerWaalsContact O-CG 3.31Å; T33-K37 WeakPolarHBondContact O-CG 3.46Å; T33-K37 PolarHBondContact O-N 3.33Å; Y34-K37 PolarHBondContact O-N 2.93Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 3.47Å; K37-I39 VanDerWaalsContact C-N 3.33Å; K37-R40 PolarHBondContact O-N 3.32Å; K37-M41 WeakPolarHBondContact O-CG 2.76Å; K37-M41 PolarHBondContact O-N 3.46Å
38	L	63.9	Low	57.4	Low	78 Å²	78	90.6 Å²	90.6	41%	0.408	46%	0.46	S	S	.	.	H	α-helix	trans	-61.8	-43.3	176.3	-80	175.3	0	0	0	111.5	Y34 A35 M41 T42	Y34-L38 HydrophobicContact CD1-CD1 3.77Å; Y34-L38 HydrophobicContact CD1-CG 4.41Å; Y34-L38 HydrophobicContact CE1-CD1 3.26Å; Y34-L38 HydrophobicContact CE1-CG 4.02Å; Y34-L38 PolarHBondContact O-N 3.04Å; A35-L38 PolarHBondContact O-N 3.49Å; L38-M41 PolarHBondContact O-N 2.91Å; L38-T42 WeakPolarHBondContact O-CB 3.42Å; L38-T42 PolarHBondContact O-N 3.47Å; L38-T42 PolarHBondContact O-OG1 3.33Å
39	I	62.2	Low	57.5	Low	23 Å²	23	94.9 Å²	94.9	12%	0.118	48%	0.478	C	S	.	.	H	α-helix	trans	-58.4	-51.1	175.2	-71.2	170	0	0	0	110.1	A35 A36 K37 M41 T42 L43 L71 V74 F84	A35-I39 WeakPolarHBondContact O-CB 3.15Å; A35-I39 WeakPolarHBondContact O-CG1 3.3Å; A35-I39 PolarHBondContact O-N 2.86Å; A36-I39 PolarHBondContact O-N 2.78Å; K37-I39 VanDerWaalsContact C-N 3.33Å; I39-M41 PolarHBondContact O-N 2.66Å; I39-T42 PolarHBondContact O-N 3.04Å; I39-L43 HydrophobicContact CG2-CD1 3.7Å; I39-L43 HydrophobicContact CG2-CG 4.42Å; I39-L43 WeakPolarHBondContact O-CG 2.89Å; I39-L43 PolarHBondContact O-N 2Å; I39-L71 HydrophobicContact CB-CD1 4.02Å; I39-L71 HydrophobicContact CD1-CD1 3.58Å; I39-L71 HydrophobicContact CG1-CD1 3.4Å; I39-L71 VanDerWaalsContact CG1-CD1 3.4Å; I39-L71 HydrophobicContact CG2-CD1 3.54Å; I39-V74 HydrophobicContact CD1-CG1 4.05Å; I39-F84 HydrophobicContact CG2-CE2 4.41Å
40	R	63.1	Low	57.2	Low	148 Å²	148	92.4 Å²	92.4	56%	0.558	46%	0.463	S	S	*	.	H	α-helix	trans	-59.4	-45.6	179	-175.3	178.1	178.4	177.8	1.4	112.2	A36 K37 T42 L43 L44	A36-R40 WeakPolarHBondContact O-CB 3.36Å; A36-R40 PolarHBondContact O-N 3.37Å; K37-R40 PolarHBondContact O-N 3.32Å; R40-T42 VanDerWaalsContact C-N 3.32Å; R40-T42 PolarHBondContact O-N 3.2Å; R40-L43 PolarHBondContact O-N 3.39Å; R40-L44 HydrophobicContact CG-CD1 3.94Å; R40-L44 HydrophobicContact CG-CG 4.41Å; R40-L44 VanDerWaalsContact O-CB 3.31Å; R40-L44 WeakPolarHBondContact O-CB 3.17Å; R40-L44 VanDerWaalsContact O-CG 3.24Å; R40-L44 WeakPolarHBondContact O-CG 3.31Å; R40-L44 PolarHBondContact O-N 2.91Å
41	M	62.5	Low	57.2	Low	127 Å²	127	93 Å²	93	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-63.8	-38.9	177.2	-73.9	-171.3	-165	0	0	112.1	K37 L38 I39 R45	K37-M41 WeakPolarHBondContact O-CG 2.76Å; K37-M41 PolarHBondContact O-N 3.46Å; L38-M41 PolarHBondContact O-N 2.91Å; I39-M41 PolarHBondContact O-N 2.66Å; M41-R45 VanDerWaalsContact O-CB 3.25Å; M41-R45 WeakPolarHBondContact O-CB 3.16Å; M41-R45 PolarHBondContact O-N 2.75Å
42	T	61.7	Low	57	Low	86 Å²	86	93.4 Å²	93.4	53%	0.528	47%	0.47	S	S	.	.	H	α-helix	trans	-66.8	-44.3	179.4	-55.3	0	0	0	0	110.8	L38 I39 R40 R45 H46	L38-T42 WeakPolarHBondContact O-CB 3.42Å; L38-T42 PolarHBondContact O-N 3.47Å; L38-T42 PolarHBondContact O-OG1 3.33Å; I39-T42 PolarHBondContact O-N 3.04Å; R40-T42 VanDerWaalsContact C-N 3.32Å; R40-T42 PolarHBondContact O-N 3.2Å; T42-R45 PolarHBondContact O-N 3.29Å; T42-H46 WeakPolarHBondContact O-CB 3.44Å; T42-H46 PolarHBondContact O-N 2.88Å
43	L	59.6	Low	56.8	Low	16 Å²	16	96.9 Å²	96.9	8%	0.084	49%	0.493	C	S	.	.	H	α-helix	trans	-65	-47.3	175.9	-69.2	165.9	0	0	0	111.7	I39 R40 R45 H46 F47 W68 L71 F84	I39-L43 HydrophobicContact CG2-CD1 3.7Å; I39-L43 HydrophobicContact CG2-CG 4.42Å; I39-L43 WeakPolarHBondContact O-CG 2.89Å; I39-L43 PolarHBondContact O-N 2Å; R40-L43 PolarHBondContact O-N 3.39Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 3.5Å; L43-H46 PolarHBondContact O-N 3.22Å; L43-H46 VanDerWaalsContact O-N 3.16Å; L43-F47 HydrophobicContact CB-CD2 4.22Å; L43-F47 HydrophobicContact CB-CE2 4.33Å; L43-F47 HydrophobicContact CD2-CE2 3.91Å; L43-F47 WeakPolarHBondContact O-CB 3.26Å; L43-F47 WeakPolarHBondContact O-CD2 3.37Å; L43-F47 PolarHBondContact O-N 3.01Å; L43-W68 HydrophobicContact CD2-CZ3 4.22Å; L43-L71 HydrophobicContact CD2-CD2 4.21Å; L43-F84 HydrophobicContact CD1-CE2 3.55Å; L43-F84 HydrophobicContact CD1-CZ 3.36Å
44	L	61.4	Low	56.4	Low	79 Å²	79	102.4 Å²	102.4	41%	0.414	50%	0.504	S	S	.	.	H	α-helix	trans	-57.6	-44.2	176.3	-78.3	170.9	0	0	0	111.4	R40 H46 S48 F91	R40-L44 HydrophobicContact CG-CD1 3.94Å; R40-L44 HydrophobicContact CG-CG 4.41Å; R40-L44 VanDerWaalsContact O-CB 3.31Å; R40-L44 WeakPolarHBondContact O-CB 3.17Å; R40-L44 VanDerWaalsContact O-CG 3.24Å; R40-L44 WeakPolarHBondContact O-CG 3.31Å; R40-L44 PolarHBondContact O-N 2.91Å; L44-H46 VanDerWaalsContact C-N 3.33Å; L44-H46 PolarHBondContact O-N 3.38Å; L44-S48 WeakPolarHBondContact O-CB 3.47Å; L44-S48 PolarHBondContact O-N 3.36Å; L44-F91 HydrophobicContact CD2-CE1 4.3Å; L44-F91 HydrophobicContact CD2-CZ 3.83Å
45	R	61.5	Low	56.1	Low	206 Å²	206	101.2 Å²	101.2	78%	0.777	50%	0.504	S	S	*	.	H	α-helix	trans	-65.9	-37.1	178.2	-171.4	171.8	-176.4	177.1	0.7	112.1	M41 T42 L43 D49	M41-R45 VanDerWaalsContact O-CB 3.25Å; M41-R45 WeakPolarHBondContact O-CB 3.16Å; M41-R45 PolarHBondContact O-N 2.75Å; T42-R45 PolarHBondContact O-N 3.29Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 3.5Å; R45-D49 WeakPolarHBondContact O-CB 3.24Å; R45-D49 PolarHBondContact O-N 3.49Å
46	H	54.9	Low	55.6	Low	86 Å²	86	103.9 Å²	103.9	40%	0.398	51%	0.513	S	S	.	.	H	α-helix	trans	-76.8	-42.8	-179	-163.4	56.8	0	0	0	112.6	T42 L43 L44 S48 D49 S50 W68	T42-H46 WeakPolarHBondContact O-CB 3.44Å; T42-H46 PolarHBondContact O-N 2.88Å; L43-H46 PolarHBondContact O-N 3.22Å; L43-H46 VanDerWaalsContact O-N 3.16Å; L44-H46 VanDerWaalsContact C-N 3.33Å; L44-H46 PolarHBondContact O-N 3.38Å; H46-S48 VanDerWaalsContact C-N 3.35Å; H46-D49 PolarHBondContact O-N 2.87Å; H46-S50 VanDerWaalsContact O-CB 3.26Å; H46-S50 WeakPolarHBondContact O-CB 3.23Å; H46-S50 PolarHBondContact O-N 3.4Å; H46-S50 PolarHBondContact O-OG 2.92Å; H46-W68 AromaticContact CD2-CH2 3.71Å; H46-W68 AromaticContact CD2-CZ2 3.95Å; H46-W68 AromaticContact NE2-CZ2 3.85Å
47	F	56.9	Low	55	Low	77 Å²	77	107.7 Å²	107.7	34%	0.338	54%	0.538	S	S	.	.	H	α-helix	trans	-71.6	-27.4	174.4	-74.5	-63.5	0	0	0	112.9	L43 D49 S50 P53 L56	L43-F47 HydrophobicContact CB-CD2 4.22Å; L43-F47 HydrophobicContact CB-CE2 4.33Å; L43-F47 HydrophobicContact CD2-CE2 3.91Å; L43-F47 WeakPolarHBondContact O-CB 3.26Å; L43-F47 WeakPolarHBondContact O-CD2 3.37Å; L43-F47 PolarHBondContact O-N 3.01Å; F47-D49 VanDerWaalsContact C-N 3.25Å; F47-D49 PolarHBondContact O-N 2.8Å; F47-S50 VanDerWaalsContact O-O 3.11Å; F47-P53 HydrophobicContact CD1-CB 4.18Å; F47-P53 HydrophobicContact CE1-CB 4.33Å; F47-L56 HydrophobicContact CE2-CD1 4.29Å; F47-L56 HydrophobicContact CZ-CD1 3.63Å; F47-L56 HydrophobicContact CZ-CD2 4.23Å; F47-L56 HydrophobicContact CZ-CG 3.95Å
48	S	54	Low	54.1	Low	108 Å²	108	104.9 Å²	104.9	76%	0.755	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-16.9	173.1	-167.7	0	0	0	0	113.1	L44 H46	L44-S48 WeakPolarHBondContact O-CB 3.47Å; L44-S48 PolarHBondContact O-N 3.36Å; H46-S48 VanDerWaalsContact C-N 3.35Å
49	D	55.5	Low	53.2	Low	144 Å²	144	103.9 Å²	103.9	77%	0.77	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-12.4	178	-160.4	53.1	0	0	0	112.3	R45 H46 F47	R45-D49 WeakPolarHBondContact O-CB 3.24Å; R45-D49 PolarHBondContact O-N 3.49Å; H46-D49 PolarHBondContact O-N 2.87Å; F47-D49 VanDerWaalsContact C-N 3.25Å; F47-D49 PolarHBondContact O-N 2.8Å
50	S	47.5	Very low	52.4	Low	42 Å²	42	106.9 Å²	106.9	29%	0.294	55%	0.552	S	S	.	*			trans	-109.6	114.5	-179.7	-55.9	0	0	0	0	110.1	H46 F47 E52	H46-S50 VanDerWaalsContact O-CB 3.26Å; H46-S50 WeakPolarHBondContact O-CB 3.23Å; H46-S50 PolarHBondContact O-N 3.4Å; H46-S50 PolarHBondContact O-OG 2.92Å; F47-S50 VanDerWaalsContact O-O 3.11Å; S50-E52 PolarHBondContact O-N 3.25Å
51	D	51.4	Low	51.6	Low	175 Å²	175	106.8 Å²	106.8	94%	0.936	56%	0.563	S	S	*	*	S	Bend	trans	-64.1	8.2	176.8	-141.9	-102.2	0	0	0	113.9
52	E	46.8	Very low	50.7	Low	129 Å²	129	109.2 Å²	109.2	60%	0.603	57%	0.566	S	S	*	*			trans	-140.7	93.2	-170.1	-155.1	177.5	131.6	0	0	113.3	S50 R54	S50-E52 PolarHBondContact O-N 3.25Å; E52-R54 HydrophobicContact CG-CB 4.27Å; E52-R54 HydrophobicContact CG-CG 4.4Å; E52-R54 PolarHBondContact O-N 2.98Å
53	P	44.9	Very low	49.9	Very low	95 Å²	95	111.4 Å²	111.4	62%	0.617	57%	0.566	S	S	*	*			trans	-88.8	67.4	174	34.8	-32.1	0	0	0	109.8	F47	F47-P53 HydrophobicContact CD1-CB 4.18Å; F47-P53 HydrophobicContact CE1-CB 4.33Å
54	R	48.4	Very low	49.3	Very low	195 Å²	195	115.9 Å²	115.9	74%	0.736	60%	0.596	S	S	*	*			trans	-134	-4	-171.8	-64.5	-169	-167.7	-144.8	3	119.6	E52	E52-R54 HydrophobicContact CG-CB 4.27Å; E52-R54 HydrophobicContact CG-CG 4.4Å; E52-R54 PolarHBondContact O-N 2.98Å
55	H	46.1	Very low	48.6	Very low	124 Å²	124	121.3 Å²	121.3	57%	0.574	62%	0.617	S	S	*	*			trans	-135.5	30.8	-174.7	-79	-72.4	0	0	0	117.3	S57 S58	H55-S57 PolarHBondContact O-N 3.42Å; H55-S58 PolarHBondContact O-N 2.9Å; H55-S58 VanDerWaalsContact O-N 3.16Å
56	L	46.1	Very low	47.8	Very low	90 Å²	90	112.2 Å²	112.2	47%	0.471	59%	0.585	S	S	.	*	H	α-helix	trans	-55.9	-32	169.9	-83.2	163.5	0	0	0	112.9	F47 S58	F47-L56 HydrophobicContact CE2-CD1 4.29Å; F47-L56 HydrophobicContact CZ-CD1 3.63Å; F47-L56 HydrophobicContact CZ-CD2 4.23Å; F47-L56 HydrophobicContact CZ-CG 3.95Å; L56-S58 VanDerWaalsContact C-N 3.27Å; L56-S58 PolarHBondContact O-N 3.41Å
57	S	45.6	Very low	47.5	Very low	107 Å²	107	113.3 Å²	113.3	75%	0.748	60%	0.599	S	S	*	*	H	α-helix	trans	-71.6	-17.3	-178.4	-19	0	0	0	0	114	H55	H55-S57 PolarHBondContact O-N 3.42Å
58	S	42.9	Very low	47.3	Very low	67 Å²	67	113.3 Å²	113.3	47%	0.469	60%	0.597	S	S	.	*	H	α-helix	trans	-90.7	-25.5	-178.8	-174.7	0	0	0	0	112.9	H55 L56 S60	H55-S58 PolarHBondContact O-N 2.9Å; H55-S58 VanDerWaalsContact O-N 3.16Å; L56-S58 VanDerWaalsContact C-N 3.27Å; L56-S58 PolarHBondContact O-N 3.41Å; S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 3.3Å
59	L	45	Very low	47	Very low	58 Å²	58	108.9 Å²	108.9	30%	0.304	57%	0.568	S	S	.	*	H	α-helix	trans	-69.5	-21	179.2	-93	112.7	0	0	0	114	N61 Y62 W68	L59-N61 VanDerWaalsContact C-N 3.25Å; L59-N61 PolarHBondContact O-N 3.5Å; L59-Y62 PolarHBondContact O-N 2.9Å; L59-W68 HydrophobicContact CD2-CB 3.49Å; L59-W68 VanDerWaalsContact CD2-CB 3.49Å; L59-W68 HydrophobicContact CD2-CD2 3.93Å; L59-W68 HydrophobicContact CD2-CG 3.28Å
60	S	44.7	Very low	46.9	Very low	86 Å²	86	107.9 Å²	107.9	60%	0.601	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-26.7	-179.1	-166.4	0	0	0	0	113.4	S58	S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 3.3Å
61	N	45.9	Very low	47.3	Very low	145 Å²	145	107.3 Å²	107.3	78%	0.775	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-8.1	-176	-80.5	-45.3	0	0	0	115.1	L59	L59-N61 VanDerWaalsContact C-N 3.25Å; L59-N61 PolarHBondContact O-N 3.5Å
62	Y	45	Very low	47.6	Very low	178 Å²	178	102 Å²	102	70%	0.698	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-8.3	-165.3	-100.1	-81	0	0	0	117	L59	L59-Y62 PolarHBondContact O-N 2.9Å
63	Y	45	Very low	48	Very low	132 Å²	132	101.4 Å²	101.4	52%	0.518	52%	0.524	S	S	.	.			trans	-147.4	98.4	-167	-85.5	-81.2	0	0	0	115.3	F65 G69	Y63-F65 PolarHBondContact O-N 3.34Å; Y63-G69 VanDerWaalsContact O-CA 3.28Å; Y63-G69 WeakPolarHBondContact O-CA 3.48Å
64	P	46.2	Very low	48.5	Very low	110 Å²	110	99.3 Å²	99.3	71%	0.714	51%	0.509	S	S	*	.	S	Bend	trans	-75.2	-4.5	160.2	25.4	-26.9	0	0	0	113.8
65	F	47.3	Very low	48.8	Very low	194 Å²	194	90.9 Å²	90.9	85%	0.851	48%	0.478	S	S	*	.	S	Bend	trans	-139.8	9.8	-174.2	-67.3	-75.1	0	0	0	116.5	Y63	Y63-F65 PolarHBondContact O-N 3.34Å
66	S	44.7	Very low	49.3	Very low	15 Å²	15	88.4 Å²	88.4	11%	0.105	48%	0.48	C	S	.	.	S	Bend	trans	-85.4	152.5	170.5	158.3	0	0	0	0	110.2	W68 G69 L70	S66-W68 PolarHBondContact O-N 2.8Å; S66-W68 WeakPolarHBondContact OG-CB 3.27Å; S66-W68 PolarHBondContact OG-N 3.25Å; S66-G69 WeakPolarHBondContact O-CA 3.35Å; S66-G69 PolarHBondContact O-N 3.36Å; S66-L70 PolarHBondContact O-N 2.71Å
67	P	48	Very low	49.5	Very low	108 Å²	108	87.6 Å²	87.6	70%	0.701	48%	0.476	S	S	*	.	H	α-helix	trans	-44.9	-30	165.2	-26.5	33.2	0	0	0	113.1	L71	P67-L71 WeakPolarHBondContact O-CB 3.07Å; P67-L71 PolarHBondContact O-N 2.92Å
68	W	51.7	Low	49.9	Very low	78 Å²	78	83 Å²	83	30%	0.295	44%	0.444	S	S	.	.	H	α-helix	trans	-69.9	-40.5	174.6	-60.5	123	0	0	0	114.3	L43 H46 L59 S66 L71 L72	L43-W68 HydrophobicContact CD2-CZ3 4.22Å; H46-W68 AromaticContact CD2-CH2 3.71Å; H46-W68 AromaticContact CD2-CZ2 3.95Å; H46-W68 AromaticContact NE2-CZ2 3.85Å; L59-W68 HydrophobicContact CD2-CB 3.49Å; L59-W68 VanDerWaalsContact CD2-CB 3.49Å; L59-W68 HydrophobicContact CD2-CD2 3.93Å; L59-W68 HydrophobicContact CD2-CG 3.28Å; S66-W68 PolarHBondContact O-N 2.8Å; S66-W68 WeakPolarHBondContact OG-CB 3.27Å; S66-W68 PolarHBondContact OG-N 3.25Å; W68-L71 HydrophobicContact CE3-CD2 3.85Å; W68-L71 HydrophobicContact CZ3-CD2 3.9Å; W68-L71 PolarHBondContact O-N 2.9Å; W68-L72 WeakPolarHBondContact O-CB 3.34Å; W68-L72 WeakPolarHBondContact O-CG 3.3Å; W68-L72 PolarHBondContact O-N 3.49Å
69	G	49.4	Very low	50.4	Low	14 Å²	14	85.5 Å²	85.5	14%	0.144	45%	0.452	C	S	.	.	H	α-helix	trans	-68	-41.3	175.4	0	0	0	0	0	111.5	Y63 S66 L71 L72 H73	Y63-G69 VanDerWaalsContact O-CA 3.28Å; Y63-G69 WeakPolarHBondContact O-CA 3.48Å; S66-G69 WeakPolarHBondContact O-CA 3.35Å; S66-G69 PolarHBondContact O-N 3.36Å; G69-L71 VanDerWaalsContact C-N 3.32Å; G69-L71 PolarHBondContact O-N 3.45Å; G69-L72 PolarHBondContact O-N 2.67Å; G69-H73 WeakPolarHBondContact O-CB 3.32Å; G69-H73 PolarHBondContact O-N 3.4Å
70	L	53.3	Low	50.6	Low	124 Å²	124	84.7 Å²	84.7	65%	0.649	45%	0.447	S	S	*	.	H	α-helix	trans	-62.6	-41.7	172.6	-162.3	85.5	0	0	0	110.9	S66 H73 V74	S66-L70 PolarHBondContact O-N 2.71Å; L70-H73 PolarHBondContact O-N 3.19Å; L70-V74 WeakPolarHBondContact O-CB 3.45Å; L70-V74 VanDerWaalsContact O-CG2 3.27Å; L70-V74 WeakPolarHBondContact O-CG2 3.4Å; L70-V74 PolarHBondContact O-N 3.43Å
71	L	56	Low	50.8	Low	30 Å²	30	83.4 Å²	83.4	16%	0.157	44%	0.436	C	S	.	.	H	α-helix	trans	-63.2	-48.5	177.8	179.8	67	0	0	0	112.3	I39 L43 P67 W68 G69 H73 V74 I75	I39-L71 HydrophobicContact CB-CD1 4.02Å; I39-L71 HydrophobicContact CD1-CD1 3.58Å; I39-L71 HydrophobicContact CG1-CD1 3.4Å; I39-L71 VanDerWaalsContact CG1-CD1 3.4Å; I39-L71 HydrophobicContact CG2-CD1 3.54Å; L43-L71 HydrophobicContact CD2-CD2 4.21Å; P67-L71 WeakPolarHBondContact O-CB 3.07Å; P67-L71 PolarHBondContact O-N 2.92Å; W68-L71 HydrophobicContact CE3-CD2 3.85Å; W68-L71 HydrophobicContact CZ3-CD2 3.9Å; W68-L71 PolarHBondContact O-N 2.9Å; G69-L71 VanDerWaalsContact C-N 3.32Å; G69-L71 PolarHBondContact O-N 3.45Å; L71-H73 VanDerWaalsContact C-N 3.29Å; L71-H73 PolarHBondContact O-N 3.41Å; L71-V74 PolarHBondContact O-N 2.92Å; L71-I75 HydrophobicContact CD1-CD1 4.22Å; L71-I75 HydrophobicContact CG-CD1 3.99Å; L71-I75 WeakPolarHBondContact O-CB 3.23Å; L71-I75 VanDerWaalsContact O-CG1 3.24Å; L71-I75 WeakPolarHBondContact O-CG1 3.48Å; L71-I75 PolarHBondContact O-N 3.16Å
72	L	57.2	Low	50.9	Low	63 Å²	63	79.3 Å²	79.3	33%	0.33	42%	0.422	S	S	.	.	H	α-helix	trans	-65.3	-34.6	175.9	-72.7	171.3	0	0	0	111.7	W68 G69 I75 A76	W68-L72 WeakPolarHBondContact O-CB 3.34Å; W68-L72 WeakPolarHBondContact O-CG 3.3Å; W68-L72 PolarHBondContact O-N 3.49Å; G69-L72 PolarHBondContact O-N 2.67Å; L72-I75 PolarHBondContact O-N 3.19Å; L72-A76 WeakPolarHBondContact O-CB 3.2Å; L72-A76 PolarHBondContact O-N 2.92Å
73	H	54.1	Low	51	Low	117 Å²	117	76 Å²	76	54%	0.542	42%	0.417	S	S	.	.	H	α-helix	trans	-68.1	-42	174.7	-168.6	83.6	0	0	0	111.7	G69 L70 L71 A76 N77	G69-H73 WeakPolarHBondContact O-CB 3.32Å; G69-H73 PolarHBondContact O-N 3.4Å; L70-H73 PolarHBondContact O-N 3.19Å; L71-H73 VanDerWaalsContact C-N 3.29Å; L71-H73 PolarHBondContact O-N 3.41Å; H73-A76 PolarHBondContact O-N 2.92Å; H73-N77 PolarHBondContact CE1-ND2 2.91Å; H73-N77 VanDerWaalsContact CE1-ND2 3.26Å; H73-N77 PolarHBondContact ND1-ND2 3.3Å; H73-N77 PolarHBondContact NE2-ND2 3.48Å; H73-N77 VanDerWaalsContact O-CB 3.27Å; H73-N77 WeakPolarHBondContact O-CB 3.33Å; H73-N77 PolarHBondContact O-N 3.34Å; H73-N77 PolarHBondContact O-ND2 3.48Å
74	V	55.1	Low	51.1	Low	50 Å²	50	72.6 Å²	72.6	30%	0.303	40%	0.404	S	S	.	.	H	α-helix	trans	-64.4	-41.1	173.9	169.2	0	0	0	0	110.8	I39 L70 L71 S78	I39-V74 HydrophobicContact CD1-CG1 4.05Å; L70-V74 WeakPolarHBondContact O-CB 3.45Å; L70-V74 VanDerWaalsContact O-CG2 3.27Å; L70-V74 WeakPolarHBondContact O-CG2 3.4Å; L70-V74 PolarHBondContact O-N 3.43Å; L71-V74 PolarHBondContact O-N 2.92Å; V74-S78 WeakPolarHBondContact O-CB 3.25Å; V74-S78 PolarHBondContact O-N 3.33Å; V74-S78 PolarHBondContact O-OG 2.96Å
75	I	56.3	Low	51	Low	18 Å²	18	73.4 Å²	73.4	9%	0.092	40%	0.399	C	S	.	.	H	α-helix	trans	-63.7	-53.4	175	-68.4	165.3	0	0	0	109.6	L71 L72 N77 S78 V81 F84	L71-I75 HydrophobicContact CD1-CD1 4.22Å; L71-I75 HydrophobicContact CG-CD1 3.99Å; L71-I75 WeakPolarHBondContact O-CB 3.23Å; L71-I75 VanDerWaalsContact O-CG1 3.24Å; L71-I75 WeakPolarHBondContact O-CG1 3.48Å; L71-I75 PolarHBondContact O-N 3.16Å; L72-I75 PolarHBondContact O-N 3.19Å; I75-N77 VanDerWaalsContact C-N 3.3Å; I75-N77 PolarHBondContact O-N 3.37Å; I75-S78 PolarHBondContact O-N 3.2Å; I75-V81 HydrophobicContact CG2-CG2 3.76Å; I75-V81 VanDerWaalsContact O-CG2 3.3Å; I75-V81 WeakPolarHBondContact O-CG2 3.44Å; I75-F84 HydrophobicContact CD1-CE1 4.17Å; I75-F84 HydrophobicContact CD1-CE2 4.43Å; I75-F84 HydrophobicContact CD1-CZ 4.11Å
76	A	55.1	Low	50.9	Low	73 Å²	73	69 Å²	69	60%	0.603	39%	0.388	S	S	*	.	H	α-helix	trans	-64.8	-27.7	-177.1	0	0	0	0	0	114.5	L72 H73	L72-A76 WeakPolarHBondContact O-CB 3.2Å; L72-A76 PolarHBondContact O-N 2.92Å; H73-A76 PolarHBondContact O-N 2.92Å
77	N	51.9	Low	50.9	Low	72 Å²	72	70.1 Å²	70.1	39%	0.385	40%	0.396	S	S	.	.	H	α-helix	trans	-99.4	-0	178.5	-69.4	-91.7	0	0	0	113.5	H73 I75	H73-N77 PolarHBondContact CE1-ND2 2.91Å; H73-N77 VanDerWaalsContact CE1-ND2 3.26Å; H73-N77 PolarHBondContact ND1-ND2 3.3Å; H73-N77 PolarHBondContact NE2-ND2 3.48Å; H73-N77 VanDerWaalsContact O-CB 3.27Å; H73-N77 WeakPolarHBondContact O-CB 3.33Å; H73-N77 PolarHBondContact O-N 3.34Å; H73-N77 PolarHBondContact O-ND2 3.48Å; I75-N77 VanDerWaalsContact C-N 3.3Å; I75-N77 PolarHBondContact O-N 3.37Å
78	S	52.8	Low	50.8	Low	11 Å²	11	69.4 Å²	69.4	8%	0.077	39%	0.385	C	S	.	.	S	Bend	trans	-109.7	147.8	171.9	-56.7	0	0	0	0	109	V74 I75 L80 V81	V74-S78 WeakPolarHBondContact O-CB 3.25Å; V74-S78 PolarHBondContact O-N 3.33Å; V74-S78 PolarHBondContact O-OG 2.96Å; I75-S78 PolarHBondContact O-N 3.2Å; S78-L80 PolarHBondContact O-N 3.48Å; S78-V81 PolarHBondContact O-N 2.89Å
79	D	53.5	Low	50.3	Low	120 Å²	120	72.6 Å²	72.6	64%	0.642	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	2	166.9	-114	-77.7	0	0	0	113.4	T22 V81 A82	T22-D79 HydrophobicContact CG2-CB 4.22Å; D79-V81 PolarHBondContact O-N 3.48Å; D79-A82 PolarHBondContact O-N 3.16Å
80	L	50.4	Low	49.8	Very low	40 Å²	40	75.5 Å²	75.5	21%	0.209	43%	0.429	C	S	.	.	H	α-helix	trans	-64.6	-18.3	173.8	-69.8	164.4	0	0	0	113	A36 S78 A82 D83 F84	A36-L80 HydrophobicContact CB-CD1 4.07Å; A36-L80 HydrophobicContact CB-CD2 3.55Å; S78-L80 PolarHBondContact O-N 3.48Å; L80-A82 VanDerWaalsContact C-N 3.26Å; L80-A82 PolarHBondContact O-N 3.46Å; L80-D83 PolarHBondContact O-N 3.44Å; L80-F84 WeakPolarHBondContact O-CB 3.18Å; L80-F84 PolarHBondContact O-N 3.48Å
81	V	48.7	Very low	48.9	Very low	60 Å²	60	76 Å²	76	36%	0.364	43%	0.426	S	S	.	.	H	α-helix	trans	-57.8	-40.5	173.5	171.8	0	0	0	0	111.3	I75 S78 D79 D83 F84 E85	I75-V81 HydrophobicContact CG2-CG2 3.76Å; I75-V81 VanDerWaalsContact O-CG2 3.3Å; I75-V81 WeakPolarHBondContact O-CG2 3.44Å; S78-V81 PolarHBondContact O-N 2.89Å; D79-V81 PolarHBondContact O-N 3.48Å; V81-D83 PolarHBondContact O-N 2.92Å; V81-F84 PolarHBondContact O-N 3.39Å; V81-E85 HydrophobicContact CG1-CG 4.42Å; V81-E85 PolarHBondContact O-N 2.89Å
82	A	47.4	Very low	47.9	Very low	59 Å²	59	83.8 Å²	83.8	49%	0.488	48%	0.479	S	S	.	.	H	α-helix	trans	-67.4	-37.3	179.6	0	0	0	0	0	112.2	D79 L80 T86	D79-A82 PolarHBondContact O-N 3.16Å; L80-A82 VanDerWaalsContact C-N 3.26Å; L80-A82 PolarHBondContact O-N 3.46Å; A82-T86 PolarHBondContact O-N 2.81Å; A82-T86 PolarHBondContact O-OG1 3.4Å
83	D	48	Very low	47.5	Very low	109 Å²	109	84.8 Å²	84.8	58%	0.583	49%	0.486	S	S	*	.	H	α-helix	trans	-76.9	-31.5	177.7	-140.4	-69.3	0	0	0	111.8	L80 V81 S87	L80-D83 PolarHBondContact O-N 3.44Å; V81-D83 PolarHBondContact O-N 2.92Å; D83-S87 WeakPolarHBondContact O-CB 3.43Å; D83-S87 PolarHBondContact O-N 2.97Å; D83-S87 PolarHBondContact O-OG 3.35Å
84	F	45.1	Very low	47.1	Very low	59 Å²	59	83.1 Å²	83.1	26%	0.259	48%	0.483	S	S	.	.	H	α-helix	trans	-78.5	-40.2	-177.9	-155.3	-104.2	0	0	0	112.1	I39 L43 I75 L80 V81 T86 S87 I88	I39-F84 HydrophobicContact CG2-CE2 4.41Å; L43-F84 HydrophobicContact CD1-CE2 3.55Å; L43-F84 HydrophobicContact CD1-CZ 3.36Å; I75-F84 HydrophobicContact CD1-CE1 4.17Å; I75-F84 HydrophobicContact CD1-CE2 4.43Å; I75-F84 HydrophobicContact CD1-CZ 4.11Å; L80-F84 WeakPolarHBondContact O-CB 3.18Å; L80-F84 PolarHBondContact O-N 3.48Å; V81-F84 PolarHBondContact O-N 3.39Å; F84-T86 VanDerWaalsContact C-N 3.31Å; F84-T86 PolarHBondContact O-N 2.83Å; F84-S87 PolarHBondContact O-N 3.28Å; F84-I88 HydrophobicContact CD1-CD1 3.3Å; F84-I88 HydrophobicContact CD1-CG1 4.14Å; F84-I88 HydrophobicContact CE1-CD1 3.33Å; F84-I88 HydrophobicContact CE1-CG1 4.17Å; F84-I88 HydrophobicContact CG-CD1 4.23Å; F84-I88 HydrophobicContact CZ-CD1 4.27Å; F84-I88 WeakPolarHBondContact O-CB 3.24Å; F84-I88 VanDerWaalsContact O-CG1 3.23Å; F84-I88 WeakPolarHBondContact O-CG1 3.4Å; F84-I88 PolarHBondContact O-N 3.43Å
85	E	45	Very low	46.7	Very low	127 Å²	127	84.9 Å²	84.9	59%	0.593	49%	0.493	S	S	*	.	H	α-helix	trans	-62	-40.7	169.9	-76.1	-160.2	147	0	0	111.2	V81 S87 I88 I89	V81-E85 HydrophobicContact CG1-CG 4.42Å; V81-E85 PolarHBondContact O-N 2.89Å; E85-S87 PolarHBondContact O-N 3.48Å; E85-I88 PolarHBondContact O-N 3.41Å; E85-I89 VanDerWaalsContact O-CD1 3.3Å; E85-I89 WeakPolarHBondContact O-CD1 3.34Å; E85-I89 WeakPolarHBondContact O-CG1 3.31Å; E85-I89 PolarHBondContact O-N 3.5Å
86	T	45.9	Very low	46.1	Very low	101 Å²	101	88.9 Å²	88.9	62%	0.62	52%	0.517	S	S	*	.	H	α-helix	trans	-67.7	-35.7	177	-45.6	0	0	0	0	112.1	A82 F84 A90	A82-T86 PolarHBondContact O-N 2.81Å; A82-T86 PolarHBondContact O-OG1 3.4Å; F84-T86 VanDerWaalsContact C-N 3.31Å; F84-T86 PolarHBondContact O-N 2.83Å; T86-A90 WeakPolarHBondContact O-CB 3.26Å; T86-A90 PolarHBondContact O-N 2.86Å
87	S	44.1	Very low	45.6	Very low	40 Å²	40	89.9 Å²	89.9	28%	0.28	51%	0.511	S	S	.	.	H	α-helix	trans	-75.8	-32.6	176.6	-86.6	0	0	0	0	114.2	D83 F84 E85 A90 F91	D83-S87 WeakPolarHBondContact O-CB 3.43Å; D83-S87 PolarHBondContact O-N 2.97Å; D83-S87 PolarHBondContact O-OG 3.35Å; F84-S87 PolarHBondContact O-N 3.28Å; E85-S87 PolarHBondContact O-N 3.48Å; S87-A90 PolarHBondContact O-N 3.19Å; S87-F91 WeakPolarHBondContact O-CD2 3.02Å
88	I	44.9	Very low	45.1	Very low	93 Å²	93	91.1 Å²	91.1	48%	0.477	52%	0.52	S	S	.	.	H	α-helix	trans	-72.7	-36.5	178.3	-68.3	165.2	0	0	0	110.7	F84 E85 A90 F91	F84-I88 HydrophobicContact CD1-CD1 3.3Å; F84-I88 HydrophobicContact CD1-CG1 4.14Å; F84-I88 HydrophobicContact CE1-CD1 3.33Å; F84-I88 HydrophobicContact CE1-CG1 4.17Å; F84-I88 HydrophobicContact CG-CD1 4.23Å; F84-I88 HydrophobicContact CZ-CD1 4.27Å; F84-I88 WeakPolarHBondContact O-CB 3.24Å; F84-I88 VanDerWaalsContact O-CG1 3.23Å; F84-I88 WeakPolarHBondContact O-CG1 3.4Å; F84-I88 PolarHBondContact O-N 3.43Å; E85-I88 PolarHBondContact O-N 3.41Å; I88-A90 PolarHBondContact O-N 2.87Å; I88-F91 PolarHBondContact O-N 3.38Å
89	I	42.3	Very low	44.6	Very low	144 Å²	144	96.8 Å²	96.8	74%	0.738	55%	0.551	S	S	*	*	H	α-helix	trans	-73	-17.3	177	-59.8	164.7	0	0	0	111.6	E85	E85-I89 VanDerWaalsContact O-CD1 3.3Å; E85-I89 WeakPolarHBondContact O-CD1 3.34Å; E85-I89 WeakPolarHBondContact O-CG1 3.31Å; E85-I89 PolarHBondContact O-N 3.5Å
90	A	39.1	Very low	43.9	Very low	75 Å²	75	95 Å²	95	62%	0.62	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	4.5	178.7	0	0	0	0	0	114.9	T86 S87 I88	T86-A90 WeakPolarHBondContact O-CB 3.26Å; T86-A90 PolarHBondContact O-N 2.86Å; S87-A90 PolarHBondContact O-N 3.19Å; I88-A90 PolarHBondContact O-N 2.87Å
91	F	33.9	Very low	43.4	Very low	135 Å²	135	99.6 Å²	99.6	59%	0.592	57%	0.572	S	S	*	*			trans	-84.9	122.2	167.7	-83.5	-90.1	0	0	0	110	L44 S87 I88	L44-F91 HydrophobicContact CD2-CE1 4.3Å; L44-F91 HydrophobicContact CD2-CZ 3.83Å; S87-F91 WeakPolarHBondContact O-CD2 3.02Å; I88-F91 PolarHBondContact O-N 3.38Å
92	P	36.2	Very low	42.9	Very low	193 Å²	193	103.2 Å²	103.2	100%	1.253	59%	0.591	S	S	*	*			trans	-67.1	0	167.2	30.1	-33.8	0	0	0	112.2

Retrieved 92 of 92 residues in 45.1 ms (Link to these results)

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