A0A077ZK84_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZK84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 105 aa.

						>A0A077ZK84_TRITR|A0A077ZK84
MDGRGIIDQVEAKNKDNEQLEQQWLIGKSLQRPVEEEPPEMDTHKGISGRSGGDGTTITAHNGLRSGEQGRVDLDNNNAGSDVISTTVSFSAYNSDWHTVMSNSN
					

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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	47.8	Very low	53.8	Low	241 Å²	241	121.9 Å²	121.9	100%	1.187	64%	0.64	S	S	*	*				0	104.4	0	-73.8	-176.4	-174.8	0	0	106	G3	M1-G3 PolarHBondContact O-N 2.85Å
2	D	51.5	Low	54	Low	146 Å²	146	116.1 Å²	116.1	78%	0.781	62%	0.623	S	S	*	*			trans	-74	118.1	-171.5	-62.1	-29.7	0	0	0	109.2	R4	D2-R4 PolarHBondContact O-N 3.29Å
3	G	55	Low	54.1	Low	52 Å²	52	118.2 Å²	118.2	54%	0.536	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.2	11.3	-177.5	0	0	0	0	0	115.7	M1	M1-G3 PolarHBondContact O-N 2.85Å
4	R	55.3	Low	54.5	Low	202 Å²	202	116.7 Å²	116.7	76%	0.762	62%	0.616	S	S	*	*	H	α-helix	trans	-71.7	-30.2	175	-65.1	-174.5	-179	-154.6	-0.1	112.4	D2 I6 I7	D2-R4 PolarHBondContact O-N 3.29Å; R4-I6 VanDerWaalsContact C-N 3.29Å; R4-I6 PolarHBondContact O-N 2.86Å; R4-I7 PolarHBondContact O-N 2.86Å
5	G	54.9	Low	54.8	Low	38 Å²	38	117.5 Å²	117.5	39%	0.392	61%	0.612	S	S	.	*	H	α-helix	trans	-72.2	-14.2	-178.3	0	0	0	0	0	116	Q9	G5-Q9 PolarHBondContact O-NE2 3.42Å
6	I	53.4	Low	55.2	Low	120 Å²	120	116.3 Å²	116.3	62%	0.615	61%	0.606	S	S	*	*	H	α-helix	trans	-84.8	-37.7	177.5	-59.3	177.4	0	0	0	110.3	R4 Q9 V10	R4-I6 VanDerWaalsContact C-N 3.29Å; R4-I6 PolarHBondContact O-N 2.86Å; I6-Q9 PolarHBondContact O-N 3.15Å; I6-V10 WeakPolarHBondContact O-CG2 3.45Å; I6-V10 PolarHBondContact O-N 3.19Å
7	I	54.7	Low	55.6	Low	114 Å²	114	114.6 Å²	114.6	59%	0.585	60%	0.598	S	S	*	*	H	α-helix	trans	-66.3	-43.8	-179.2	-61.4	174.1	0	0	0	110.1	R4 Q9 V10 E11	R4-I7 PolarHBondContact O-N 2.86Å; I7-Q9 VanDerWaalsContact C-N 3.27Å; I7-Q9 PolarHBondContact O-N 3.43Å; I7-V10 PolarHBondContact O-N 3.5Å; I7-E11 PolarHBondContact O-N 2.89Å; I7-E11 VanDerWaalsContact O-N 3.07Å
8	D	55.4	Low	56.3	Low	107 Å²	107	115.1 Å²	115.1	57%	0.572	60%	0.597	S	S	*	*	H	α-helix	trans	-62.8	-31.7	178.2	-63.4	-17.7	0	0	0	112.7	A12	D8-A12 WeakPolarHBondContact O-CB 3.46Å; D8-A12 PolarHBondContact O-N 3.34Å
9	Q	52.8	Low	56.9	Low	125 Å²	125	115.4 Å²	115.4	58%	0.584	60%	0.595	S	S	*	*	H	α-helix	trans	-76.4	-32	176.9	-78.6	-178.2	59.3	0	0	113.4	G5 I6 I7 K13	G5-Q9 PolarHBondContact O-NE2 3.42Å; I6-Q9 PolarHBondContact O-N 3.15Å; I7-Q9 VanDerWaalsContact C-N 3.27Å; I7-Q9 PolarHBondContact O-N 3.43Å; Q9-K13 WeakPolarHBondContact O-CG 3.3Å; Q9-K13 PolarHBondContact O-N 3.29Å
10	V	55.8	Low	57.6	Low	81 Å²	81	115 Å²	115	49%	0.491	59%	0.593	S	S	.	*	H	α-helix	trans	-71.5	-39.7	175.9	175.2	0	0	0	0	110	I6 I7 K13 N14	I6-V10 WeakPolarHBondContact O-CG2 3.45Å; I6-V10 PolarHBondContact O-N 3.19Å; I7-V10 PolarHBondContact O-N 3.5Å; V10-K13 PolarHBondContact O-N 3.12Å; V10-N14 PolarHBondContact O-N 2.9Å; V10-N14 VanDerWaalsContact O-N 3.12Å
11	E	55.5	Low	58.3	Low	115 Å²	115	114.7 Å²	114.7	54%	0.537	59%	0.589	S	S	.	*	H	α-helix	trans	-70	-33.5	179.2	-157.1	171.4	-160.6	0	0	112.6	I7 K15	I7-E11 PolarHBondContact O-N 2.89Å; I7-E11 VanDerWaalsContact O-N 3.07Å; E11-K15 PolarHBondContact O-N 3.07Å
12	A	55.7	Low	59.4	Low	52 Å²	52	109.2 Å²	109.2	43%	0.43	56%	0.561	S	S	.	*	H	α-helix	trans	-65.7	-44.3	171.9	0	0	0	0	0	112.4	D8 N14 K15 D16	D8-A12 WeakPolarHBondContact O-CB 3.46Å; D8-A12 PolarHBondContact O-N 3.34Å; A12-N14 VanDerWaalsContact C-N 3.3Å; A12-N14 PolarHBondContact O-N 3.37Å; A12-K15 PolarHBondContact O-N 2.73Å; A12-D16 PolarHBondContact O-N 2.78Å
13	K	55.7	Low	60.3	Low	144 Å²	144	108.4 Å²	108.4	63%	0.626	55%	0.552	S	S	*	*	H	α-helix	trans	-65.3	-31.1	178.3	-74.3	179.8	178.3	-176.8	0	113.2	Q9 V10 N17	Q9-K13 WeakPolarHBondContact O-CG 3.3Å; Q9-K13 PolarHBondContact O-N 3.29Å; V10-K13 PolarHBondContact O-N 3.12Å; K13-N17 PolarHBondContact O-N 2.76Å
14	N	59	Low	61	Low	97 Å²	97	112.5 Å²	112.5	52%	0.519	55%	0.552	S	S	.	*	H	α-helix	trans	-67.1	-36.6	176	-79.2	-7.2	0	0	0	112.3	V10 A12 N17 E18	V10-N14 PolarHBondContact O-N 2.9Å; V10-N14 VanDerWaalsContact O-N 3.12Å; A12-N14 VanDerWaalsContact C-N 3.3Å; A12-N14 PolarHBondContact O-N 3.37Å; N14-N17 PolarHBondContact O-N 3.11Å; N14-E18 PolarHBondContact O-N 3.27Å
15	K	60	Low	61.9	Low	129 Å²	129	107.5 Å²	107.5	56%	0.561	54%	0.54	S	S	*	.	H	α-helix	trans	-68	-36.5	177.6	-71.3	177	-178.8	169	0	112.8	E11 A12 N17 E18 Q19	E11-K15 PolarHBondContact O-N 3.07Å; A12-K15 PolarHBondContact O-N 2.73Å; K15-N17 VanDerWaalsContact C-N 3.3Å; K15-N17 PolarHBondContact O-N 3.32Å; K15-E18 PolarHBondContact O-N 2.87Å; K15-Q19 PolarHBondContact O-N 2.9Å
16	D	60.1	Low	62.7	Low	97 Å²	97	110.4 Å²	110.4	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-65.9	-36.3	177	-66.8	-17.7	0	0	0	111.4	A12 Q19 L20	A12-D16 PolarHBondContact O-N 2.78Å; D16-Q19 PolarHBondContact O-N 3.33Å; D16-L20 WeakPolarHBondContact O-CD1 3.03Å; D16-L20 PolarHBondContact O-N 2.95Å; D16-L20 VanDerWaalsContact O-N 3.08Å
17	N	62.5	Low	63.4	Low	89 Å²	89	106.6 Å²	106.6	48%	0.476	54%	0.535	S	S	.	.	H	α-helix	trans	-70.3	-40.6	179.2	-157	55.7	0	0	0	112.3	K13 N14 K15 Q19 L20 E21	K13-N17 PolarHBondContact O-N 2.76Å; N14-N17 PolarHBondContact O-N 3.11Å; K15-N17 VanDerWaalsContact C-N 3.3Å; K15-N17 PolarHBondContact O-N 3.32Å; N17-Q19 VanDerWaalsContact C-N 3.32Å; N17-Q19 PolarHBondContact O-N 2.96Å; N17-L20 PolarHBondContact O-N 2.85Å; N17-E21 PolarHBondContact ND2-OE1 2.84Å; N17-E21 WeakPolarHBondContact O-CG 3.47Å; N17-E21 PolarHBondContact O-N 2.85Å
18	E	67.8	Low	64	Low	123 Å²	123	106 Å²	106	58%	0.575	53%	0.529	S	S	*	.	H	α-helix	trans	-62.2	-38.4	174.3	-72.3	178.6	-178.2	0	0	112.1	N14 K15 E21 Q22	N14-E18 PolarHBondContact O-N 3.27Å; K15-E18 PolarHBondContact O-N 2.87Å; E18-E21 PolarHBondContact O-N 3.24Å; E18-Q22 WeakPolarHBondContact O-CG 3.44Å; E18-Q22 PolarHBondContact O-N 3.18Å; E18-Q22 VanDerWaalsContact O-N 3.08Å
19	Q	68	Low	64.2	Low	120 Å²	120	105.8 Å²	105.8	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-66.8	-40.3	175.5	-74.4	-172.6	9.4	0	0	112.5	K15 D16 N17 Q22 Q23	K15-Q19 PolarHBondContact O-N 2.9Å; D16-Q19 PolarHBondContact O-N 3.33Å; N17-Q19 VanDerWaalsContact C-N 3.32Å; N17-Q19 PolarHBondContact O-N 2.96Å; Q19-Q22 PolarHBondContact O-N 2.83Å; Q19-Q23 WeakPolarHBondContact O-CG 3.43Å; Q19-Q23 PolarHBondContact O-N 2.89Å
20	L	71.3	Confident	64.6	Low	107 Å²	107	106.1 Å²	106.1	56%	0.56	54%	0.541	S	S	*	.	H	α-helix	trans	-62.8	-42.2	175.6	-86	155.2	0	0	0	111.8	D16 N17 Q23 W24	D16-L20 WeakPolarHBondContact O-CD1 3.03Å; D16-L20 PolarHBondContact O-N 2.95Å; D16-L20 VanDerWaalsContact O-N 3.08Å; N17-L20 PolarHBondContact O-N 2.85Å; L20-Q23 PolarHBondContact O-N 2.97Å; L20-W24 WeakPolarHBondContact O-CB 3.14Å; L20-W24 PolarHBondContact O-N 2.81Å
21	E	71.2	Confident	64.6	Low	109 Å²	109	108.5 Å²	108.5	51%	0.509	55%	0.546	S	S	.	.	H	α-helix	trans	-63.2	-41.8	175.9	-74.4	178.9	-169.1	0	0	112	N17 E18 W24 L25	N17-E21 PolarHBondContact ND2-OE1 2.84Å; N17-E21 WeakPolarHBondContact O-CG 3.47Å; N17-E21 PolarHBondContact O-N 2.85Å; E18-E21 PolarHBondContact O-N 3.24Å; E21-W24 PolarHBondContact O-N 2.95Å; E21-L25 WeakPolarHBondContact O-CB 3.41Å; E21-L25 WeakPolarHBondContact O-CG 3.44Å; E21-L25 PolarHBondContact O-N 3.44Å
22	Q	71.3	Confident	64.6	Low	126 Å²	126	113.2 Å²	113.2	59%	0.589	56%	0.559	S	S	*	*	H	α-helix	trans	-64.1	-42.7	175.2	-72.4	-171.3	12.6	0	0	112.3	E18 Q19 W24 L25 I26	E18-Q22 WeakPolarHBondContact O-CG 3.44Å; E18-Q22 PolarHBondContact O-N 3.18Å; E18-Q22 VanDerWaalsContact O-N 3.08Å; Q19-Q22 PolarHBondContact O-N 2.83Å; Q22-W24 VanDerWaalsContact C-N 3.3Å; Q22-W24 PolarHBondContact O-N 3.25Å; Q22-L25 PolarHBondContact O-N 2.88Å; Q22-I26 WeakPolarHBondContact O-CB 3.22Å; Q22-I26 WeakPolarHBondContact O-CD1 3.37Å; Q22-I26 VanDerWaalsContact O-CG1 3.22Å; Q22-I26 WeakPolarHBondContact O-CG1 3.5Å; Q22-I26 PolarHBondContact O-N 2.91Å
23	Q	70.3	Confident	64.5	Low	129 Å²	129	116.3 Å²	116.3	60%	0.603	58%	0.575	S	S	*	*	H	α-helix	trans	-62.8	-38.5	175.8	-73.1	-176.6	22.8	0	0	111.9	Q19 L20 I26 G27	Q19-Q23 WeakPolarHBondContact O-CG 3.43Å; Q19-Q23 PolarHBondContact O-N 2.89Å; L20-Q23 PolarHBondContact O-N 2.97Å; Q23-I26 PolarHBondContact O-N 2.92Å; Q23-G27 PolarHBondContact O-N 3.35Å
24	W	71.3	Confident	64.4	Low	139 Å²	139	115.8 Å²	115.8	53%	0.527	58%	0.583	S	S	.	*	H	α-helix	trans	-66.1	-44.7	176.2	-176.7	86	0	0	0	112.2	L20 E21 Q22 I26 G27 K28 W97	L20-W24 WeakPolarHBondContact O-CB 3.14Å; L20-W24 PolarHBondContact O-N 2.81Å; E21-W24 PolarHBondContact O-N 2.95Å; Q22-W24 VanDerWaalsContact C-N 3.3Å; Q22-W24 PolarHBondContact O-N 3.25Å; W24-I26 PolarHBondContact O-N 3.48Å; W24-G27 PolarHBondContact O-N 2.91Å; W24-K28 HydrophobicContact CD2-CG 4.1Å; W24-K28 HydrophobicContact CE3-CG 4.28Å; W24-K28 HydrophobicContact CH2-CG 4.12Å; W24-K28 HydrophobicContact CZ2-CD 4.24Å; W24-K28 VanDerWaalsContact CZ2-CE 3.42Å; W24-K28 HydrophobicContact CZ2-CG 3.93Å; W24-K28 HydrophobicContact CZ3-CG 4.29Å; W24-K28 WeakPolarHBondContact O-CG 3.26Å; W24-K28 PolarHBondContact O-N 3.31Å; W24-W97 HydrophobicContact CZ2-CH2 4.28Å
25	L	72.2	Confident	64	Low	97 Å²	97	119.5 Å²	119.5	51%	0.508	60%	0.598	S	S	.	*	H	α-helix	trans	-59.5	-44.8	174.9	-80.4	157.5	0	0	0	111.5	E21 Q22 K28 S29	E21-L25 WeakPolarHBondContact O-CB 3.41Å; E21-L25 WeakPolarHBondContact O-CG 3.44Å; E21-L25 PolarHBondContact O-N 3.44Å; Q22-L25 PolarHBondContact O-N 2.88Å; L25-K28 PolarHBondContact O-N 3.39Å; L25-S29 PolarHBondContact O-N 3.49Å; L25-S29 PolarHBondContact O-OG 3.38Å; L25-S29 VanDerWaalsContact O-OG 3.09Å
26	I	72.5	Confident	63.5	Low	98 Å²	98	122.1 Å²	122.1	50%	0.503	61%	0.612	S	S	.	*	H	α-helix	trans	-61.4	-46	175.5	-68	163	0	0	0	110.6	Q22 Q23 W24 K28 S29 L30	Q22-I26 WeakPolarHBondContact O-CB 3.22Å; Q22-I26 WeakPolarHBondContact O-CD1 3.37Å; Q22-I26 VanDerWaalsContact O-CG1 3.22Å; Q22-I26 WeakPolarHBondContact O-CG1 3.5Å; Q22-I26 PolarHBondContact O-N 2.91Å; Q23-I26 PolarHBondContact O-N 2.92Å; W24-I26 PolarHBondContact O-N 3.48Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 3.31Å; I26-S29 PolarHBondContact O-N 2.99Å; I26-L30 HydrophobicContact CG2-CD1 3.78Å; I26-L30 HydrophobicContact CG2-CG 4.27Å; I26-L30 WeakPolarHBondContact O-CB 3.47Å; I26-L30 VanDerWaalsContact O-CG 3.3Å; I26-L30 WeakPolarHBondContact O-CG 3.49Å; I26-L30 PolarHBondContact O-N 2.94Å
27	G	69.1	Low	62.8	Low	40 Å²	40	124.5 Å²	124.5	41%	0.412	62%	0.62	S	S	.	*	H	α-helix	trans	-59.6	-40.4	177.5	0	0	0	0	0	112.7	Q23 W24 L30 Q31	Q23-G27 PolarHBondContact O-N 3.35Å; W24-G27 PolarHBondContact O-N 2.91Å; G27-L30 PolarHBondContact O-N 3.47Å; G27-Q31 PolarHBondContact O-N 3.36Å
28	K	65.9	Low	62.4	Low	103 Å²	103	125.1 Å²	125.1	45%	0.448	63%	0.629	S	S	.	*	H	α-helix	trans	-67.6	-40.1	174.4	-74.8	-69.5	-176	-176.2	0	112.7	W24 L25 I26 L30 Q31	W24-K28 HydrophobicContact CD2-CG 4.1Å; W24-K28 HydrophobicContact CE3-CG 4.28Å; W24-K28 HydrophobicContact CH2-CG 4.12Å; W24-K28 HydrophobicContact CZ2-CD 4.24Å; W24-K28 VanDerWaalsContact CZ2-CE 3.42Å; W24-K28 HydrophobicContact CZ2-CG 3.93Å; W24-K28 HydrophobicContact CZ3-CG 4.29Å; W24-K28 WeakPolarHBondContact O-CG 3.26Å; W24-K28 PolarHBondContact O-N 3.31Å; L25-K28 PolarHBondContact O-N 3.39Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 3.31Å; K28-L30 VanDerWaalsContact C-N 3.34Å; K28-Q31 VanDerWaalsContact O-CB 3.26Å; K28-Q31 WeakPolarHBondContact O-CB 3.49Å; K28-Q31 PolarHBondContact O-N 3.09Å
29	S	60.7	Low	61.8	Low	102 Å²	102	125.1 Å²	125.1	71%	0.713	64%	0.639	S	S	*	*	H	α-helix	trans	-70.3	-30	176.8	-61.3	0	0	0	0	113.1	L25 I26 Q31	L25-S29 PolarHBondContact O-N 3.49Å; L25-S29 PolarHBondContact O-OG 3.38Å; L25-S29 VanDerWaalsContact O-OG 3.09Å; I26-S29 PolarHBondContact O-N 2.99Å; S29-Q31 VanDerWaalsContact C-N 3.26Å
30	L	61.8	Low	61.1	Low	131 Å²	131	127.1 Å²	127.1	69%	0.686	65%	0.649	S	S	*	*	H	α-helix	trans	-78	-12.8	173.4	-69.7	173.9	0	0	0	113	I26 G27 K28 R32	I26-L30 HydrophobicContact CG2-CD1 3.78Å; I26-L30 HydrophobicContact CG2-CG 4.27Å; I26-L30 WeakPolarHBondContact O-CB 3.47Å; I26-L30 VanDerWaalsContact O-CG 3.3Å; I26-L30 WeakPolarHBondContact O-CG 3.49Å; I26-L30 PolarHBondContact O-N 2.94Å; G27-L30 PolarHBondContact O-N 3.47Å; K28-L30 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 3.2Å
31	Q	54.9	Low	60.1	Low	131 Å²	131	129.9 Å²	129.9	61%	0.612	66%	0.661	S	S	*	*			trans	-72.5	78.8	172.6	-157.6	160.6	28.9	0	0	108.6	G27 K28 S29	G27-Q31 PolarHBondContact O-N 3.36Å; K28-Q31 VanDerWaalsContact O-CB 3.26Å; K28-Q31 WeakPolarHBondContact O-CB 3.49Å; K28-Q31 PolarHBondContact O-N 3.09Å; S29-Q31 VanDerWaalsContact C-N 3.26Å
32	R	55.6	Low	59.1	Low	214 Å²	214	130.8 Å²	130.8	81%	0.808	67%	0.669	S	S	*	*			trans	-52.2	134.7	164.4	-73	-174.8	-79.7	178.9	-3.1	107.4	L30 V34	L30-R32 PolarHBondContact O-N 3.2Å; R32-V34 PolarHBondContact O-N 2.89Å
33	P	53.7	Low	58.1	Low	117 Å²	117	130 Å²	130	76%	0.76	67%	0.673	S	S	*	*			trans	-56.4	116.1	165.9	23.2	-28.7	0	0	0	106	E35	P33-E35 PolarHBondContact O-N 3.27Å
34	V	54.3	Low	57.1	Low	133 Å²	133	132.1 Å²	132.1	81%	0.806	68%	0.683	S	S	*	*			trans	-63.6	102.2	158.3	178.4	0	0	0	0	102.2	R32 E36	R32-V34 PolarHBondContact O-N 2.89Å; V34-E36 PolarHBondContact O-N 3.02Å
35	E	49.3	Very low	55.8	Low	176 Å²	176	135.1 Å²	135.1	82%	0.822	70%	0.7	S	S	*	*			trans	-53.9	105.2	164.2	-75.9	-177.6	158.3	0	0	104.7	P33 E37	P33-E35 PolarHBondContact O-N 3.27Å; E35-E37 PolarHBondContact O-N 3.38Å
36	E	50.4	Low	54.2	Low	184 Å²	184	133.9 Å²	133.9	86%	0.86	71%	0.71	S	S	*	*			trans	-66.8	89.5	175.8	-162.4	175.4	-156.1	0	0	104.7	V34 P38	V34-E36 PolarHBondContact O-N 3.02Å; E36-P38 WeakPolarHBondContact O-CD 3.43Å; E36-P38 VanDerWaalsContact O-N 3.14Å
37	E	45.6	Very low	52.9	Low	147 Å²	147	137.5 Å²	137.5	69%	0.687	73%	0.728	S	S	*	*			trans	-55.5	120.3	172.1	-164.5	174.2	-168.4	0	0	106	E35	E35-E37 PolarHBondContact O-N 3.38Å
38	P	53	Low	51.5	Low	101 Å²	101	141.5 Å²	141.5	66%	0.656	75%	0.75	S	S	*	*			trans	-56.8	139.3	-179.7	22.9	-31.6	0	0	0	107.6	E36 E40	E36-P38 WeakPolarHBondContact O-CD 3.43Å; E36-P38 VanDerWaalsContact O-N 3.14Å; P38-E40 PolarHBondContact O-N 3.38Å
39	P	56.2	Low	50.7	Low	123 Å²	123	140 Å²	140	80%	0.799	76%	0.764	S	S	*	*			trans	-53.1	112.8	-176.4	21	-31.9	0	0	0	108.5	M41	P39-M41 PolarHBondContact O-N 3.25Å
40	E	53.3	Low	49.5	Very low	163 Å²	163	147.1 Å²	147.1	76%	0.762	78%	0.775	S	S	*	*			trans	-54.2	111.3	174.3	-77.6	-169.7	141.5	0	0	106.6	P38 D42	P38-E40 PolarHBondContact O-N 3.38Å; E40-D42 PolarHBondContact O-N 3.24Å
41	M	49.8	Very low	48.7	Very low	165 Å²	165	147.1 Å²	147.1	81%	0.813	79%	0.786	S	S	*	*			trans	-71.6	87.7	176.1	-160.5	-176.4	-165.3	0	0	106.4	P39 T43	P39-M41 PolarHBondContact O-N 3.25Å; M41-T43 HydrophobicContact CG-CG2 4.46Å; M41-T43 PolarHBondContact O-N 3.47Å; M41-T43 PolarHBondContact O-OG1 3.32Å
42	D	51.1	Low	48.1	Very low	127 Å²	127	144.7 Å²	144.7	68%	0.679	80%	0.796	S	S	*	*			trans	-61	98	-178.4	-164.1	-9.7	0	0	0	109.4	E40 H44	E40-D42 PolarHBondContact O-N 3.24Å; D42-H44 WeakPolarHBondContact OD1-CB 3.45Å; D42-H44 IonicContact OD1-CD2 3.07Å; D42-H44 PolarHBondContact OD1-CD2 3.08Å; D42-H44 IonicContact OD1-CG 3.55Å; D42-H44 PolarHBondContact OD1-N 3.38Å
43	T	50.3	Low	47.4	Very low	109 Å²	109	138.1 Å²	138.1	67%	0.669	80%	0.795	S	S	*	*			trans	-110.4	31.2	179.4	43.7	0	0	0	0	110.3	M41 K45	M41-T43 HydrophobicContact CG-CG2 4.46Å; M41-T43 PolarHBondContact O-N 3.47Å; M41-T43 PolarHBondContact O-OG1 3.32Å; T43-K45 PolarHBondContact O-N 3.43Å
44	H	47.5	Very low	47.1	Very low	175 Å²	175	140.6 Å²	140.6	81%	0.81	80%	0.802	S	S	*	*			trans	-73.6	76.1	174	-68.8	-54.3	0	0	0	111.9	D42 G46	D42-H44 WeakPolarHBondContact OD1-CB 3.45Å; D42-H44 IonicContact OD1-CD2 3.07Å; D42-H44 PolarHBondContact OD1-CD2 3.08Å; D42-H44 IonicContact OD1-CG 3.55Å; D42-H44 PolarHBondContact OD1-N 3.38Å; H44-G46 PolarHBondContact O-N 3.27Å; H44-G46 VanDerWaalsContact O-N 3.12Å
45	K	44.1	Very low	46.3	Very low	202 Å²	202	137.6 Å²	137.6	88%	0.878	80%	0.798	S	S	*	*			trans	-56.5	104.2	157.7	-162.7	-177	-171	-175.6	0	108.8	T43	T43-K45 PolarHBondContact O-N 3.43Å
46	G	38.9	Very low	45.8	Very low	70 Å²	70	135.8 Å²	135.8	72%	0.722	80%	0.799	S	S	*	*			trans	54.2	98.1	144.9	0	0	0	0	0	117.7	H44	H44-G46 PolarHBondContact O-N 3.27Å; H44-G46 VanDerWaalsContact O-N 3.12Å
47	I	45.6	Very low	45.5	Very low	174 Å²	174	132.8 Å²	132.8	89%	0.892	79%	0.794	S	S	*	*			trans	-137.1	111.5	147	-14.2	174.4	0	0	0	108.2	G49	I47-G49 PolarHBondContact O-N 3.44Å
48	S	39.1	Very low	45.7	Very low	125 Å²	125	133 Å²	133	87%	0.874	80%	0.798	S	S	*	*			trans	-65.4	121.4	174.7	55.6	0	0	0	0	110.6
49	G	49.2	Very low	45.2	Very low	72 Å²	72	134.5 Å²	134.5	74%	0.742	81%	0.806	S	S	*	*			trans	-141.8	107.6	168.7	0	0	0	0	0	110.1	I47	I47-G49 PolarHBondContact O-N 3.44Å
50	R	35.6	Very low	44.8	Very low	250 Å²	250	132.4 Å²	132.4	94%	0.943	80%	0.798	S	S	*	*			trans	-69.9	158.6	172.4	-88.8	166.9	76.5	-161.5	7.8	111
51	S	45.8	Very low	44.6	Very low	131 Å²	131	133.1 Å²	133.1	92%	0.916	80%	0.802	S	S	*	*			trans	95.2	117.4	177	-63.4	0	0	0	0	112.5
52	G	41.1	Very low	44.3	Very low	80 Å²	80	132.2 Å²	132.2	83%	0.825	80%	0.8	S	S	*	*			cis	142	124.3	11.3	0	0	0	0	0	107.8
53	G	41.4	Very low	43.9	Very low	76 Å²	76	128.9 Å²	128.9	78%	0.784	80%	0.796	S	S	*	*			trans	99.7	80.6	163.6	0	0	0	0	0	116.5
54	D	47.2	Very low	43.5	Very low	169 Å²	169	131 Å²	131	90%	0.904	80%	0.802	S	S	*	*			trans	-17	138.4	153.1	-44.9	-36.2	0	0	0	116.6
55	G	37.9	Very low	43	Very low	71 Å²	71	133.6 Å²	133.6	73%	0.732	81%	0.805	S	S	*	*			cis	-178.3	152.5	4.6	0	0	0	0	0	110.5
56	T	38.1	Very low	43	Very low	137 Å²	137	129.5 Å²	129.5	84%	0.84	80%	0.802	S	S	*	*			trans	-148.7	128.1	165.2	29.4	0	0	0	0	107
57	T	45.2	Very low	43.2	Very low	121 Å²	121	130 Å²	130	74%	0.742	81%	0.807	S	S	*	*				160.1	100.7	119.3	-59.5	0	0	0	0	110.8
58	I	50.2	Low	43.1	Very low	153 Å²	153	130.5 Å²	130.5	79%	0.785	81%	0.805	S	S	*	*			trans	30	118.5	134.1	-45.1	176.2	0	0	0	118.1
59	T	41.2	Very low	43.4	Very low	132 Å²	132	133.5 Å²	133.5	81%	0.81	81%	0.806	S	S	*	*			trans	-107.1	118.5	162.6	-24.9	0	0	0	0	108.9
60	A	48.5	Very low	43.2	Very low	78 Å²	78	133.2 Å²	133.2	65%	0.645	80%	0.803	S	S	*	*			trans	-140.9	80.4	164.4	0	0	0	0	0	109.2	N62	A60-N62 PolarHBondContact O-N 3.2Å; A60-N62 VanDerWaalsContact O-N 3.11Å
61	H	48.3	Very low	43.9	Very low	179 Å²	179	132.7 Å²	132.7	83%	0.829	80%	0.8	S	S	*	*			trans	-69.6	98.4	159.7	-96.3	-85	0	0	0	107.1	G63	H61-G63 PolarHBondContact O-N 3.5Å
62	N	44	Very low	44.2	Very low	145 Å²	145	132.6 Å²	132.6	78%	0.775	79%	0.794	S	S	*	*			trans	-69.4	71.8	165.7	-83.6	-12.9	0	0	0	109.3	A60	A60-N62 PolarHBondContact O-N 3.2Å; A60-N62 VanDerWaalsContact O-N 3.11Å
63	G	42.5	Very low	44.5	Very low	58 Å²	58	135.2 Å²	135.2	60%	0.598	79%	0.789	S	S	*	*			trans	-125.7	63.9	165.7	0	0	0	0	0	107	H61 R65	H61-G63 PolarHBondContact O-N 3.5Å; G63-R65 PolarHBondContact O-N 3.21Å
64	L	42	Very low	45.3	Very low	153 Å²	153	137.8 Å²	137.8	80%	0.801	78%	0.784	S	S	*	*			trans	-69.5	72.2	173.4	-72.3	174.4	0	0	0	109.2
65	R	38.2	Very low	45.4	Very low	230 Å²	230	136.3 Å²	136.3	87%	0.868	78%	0.776	S	S	*	*			trans	-83.4	112.3	159.1	176.5	173.5	153.7	-177.2	-6.8	105.9	G63	G63-R65 PolarHBondContact O-N 3.21Å
66	S	43.1	Very low	46.2	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	78%	0.782	S	S	*	*	S	Bend	trans	53.5	110.5	163.2	-72.5	0	0	0	0	118.1
67	G	42.2	Very low	46.9	Very low	80 Å²	80	141.7 Å²	141.7	83%	0.825	78%	0.783	S	S	*	*	S	Bend		113.3	-8	122.8	0	0	0	0	0	119.6
68	E	43.7	Very low	47.2	Very low	184 Å²	184	143.4 Å²	143.4	86%	0.86	79%	0.788	S	S	*	*			trans	-138.3	84.2	-176.8	-72.2	-178.9	142.1	0	0	112.1	G70	E68-G70 PolarHBondContact O-N 2.99Å
69	Q	45.2	Very low	47.1	Very low	189 Å²	189	139.9 Å²	139.9	88%	0.883	78%	0.782	S	S	*	*			trans	-86.8	87.5	160.2	-79.6	-178.1	-6.3	0	0	108.4
70	G	47	Very low	47.3	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	78%	0.776	S	S	*	*			trans	-64.3	130.8	165.2	0	0	0	0	0	110.3	E68 V72	E68-G70 PolarHBondContact O-N 2.99Å; G70-V72 PolarHBondContact O-N 3.48Å
71	R	48.9	Very low	47.1	Very low	238 Å²	238	138.4 Å²	138.4	90%	0.898	78%	0.783	S	S	*	*			trans	-68.4	123	173.3	-68.8	170.2	73.4	115.7	-3.4	108.6
72	V	51.7	Low	47.1	Very low	130 Å²	130	136.4 Å²	136.4	79%	0.788	78%	0.778	S	S	*	*			trans	-94.9	108.5	165.6	-171.6	0	0	0	0	106.5	G70 L74	G70-V72 PolarHBondContact O-N 3.48Å; V72-L74 PolarHBondContact O-N 3.36Å
73	D	48.4	Very low	47.4	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	78%	0.778	S	S	*	*			trans	-76.6	117.1	170.4	-123.8	-25.4	0	0	0	107.8	D75	D73-D75 PolarHBondContact O-N 3.08Å
74	L	57.4	Low	47.7	Very low	129 Å²	129	138.6 Å²	138.6	68%	0.675	78%	0.779	S	S	*	*			trans	-84.9	91.2	171.1	-75.3	158.2	0	0	0	106.7	V72 N76 I84	V72-L74 PolarHBondContact O-N 3.36Å; L74-N76 PolarHBondContact O-N 3.47Å; L74-I84 HydrophobicContact CD2-CD1 4.27Å
75	D	50.4	Low	47.8	Very low	138 Å²	138	136.2 Å²	136.2	74%	0.738	78%	0.775	S	S	*	*			trans	-60.5	100.2	171.4	-85	-30.6	0	0	0	109.2	D73 N77	D73-D75 PolarHBondContact O-N 3.08Å; D75-N77 PolarHBondContact O-N 2.92Å
76	N	55.1	Low	48.8	Very low	157 Å²	157	130.8 Å²	130.8	84%	0.84	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	21	-168.1	-162.1	40	0	0	0	114.5	L74	L74-N76 PolarHBondContact O-N 3.47Å
77	N	52.2	Low	49.4	Very low	164 Å²	164	131 Å²	131	88%	0.877	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.4	8.5	-168	-105.7	2.2	0	0	0	115.9	D75	D75-N77 PolarHBondContact O-N 2.92Å
78	N	51.6	Low	49.7	Very low	158 Å²	158	133.1 Å²	133.1	85%	0.845	76%	0.761	S	S	*	*	S	Bend	trans	-146.6	11.3	178.8	-156.1	33.1	0	0	0	116.7
79	A	48	Very low	49.9	Very low	79 Å²	79	128.9 Å²	128.9	65%	0.653	75%	0.752	S	S	*	*			trans	-105.8	92.1	178.2	0	0	0	0	0	109.9	S81	A79-S81 PolarHBondContact O-N 2.85Å
80	G	44.1	Very low	50.1	Low	67 Å²	67	128.4 Å²	128.4	69%	0.691	75%	0.747	S	S	*	*			trans	-59.6	117.1	168.4	0	0	0	0	0	109.9	D82	G80-D82 PolarHBondContact O-N 3.4Å
81	S	46	Very low	50	Low	112 Å²	112	130.9 Å²	130.9	78%	0.783	75%	0.754	S	S	*	*	S	Bend	trans	40	38.4	162.4	-169.4	0	0	0	0	117	A79 V83	A79-S81 PolarHBondContact O-N 2.85Å; S81-V83 PolarHBondContact O-N 3.23Å; S81-V83 VanDerWaalsContact O-N 3.15Å
82	D	47.4	Very low	49.9	Very low	137 Å²	137	123.7 Å²	123.7	73%	0.733	75%	0.746	S	S	*	*			trans	-80.8	99	164.6	-87.9	-19.4	0	0	0	107.2	G80 I84	G80-D82 PolarHBondContact O-N 3.4Å; D82-I84 VanDerWaalsContact C-N 3.33Å; D82-I84 PolarHBondContact O-N 3.28Å
83	V	49.7	Very low	49.7	Very low	128 Å²	128	127.5 Å²	127.5	78%	0.776	75%	0.747	S	S	*	*			trans	-60.9	98.5	170	-178.2	0	0	0	0	106.9	S81 S85	S81-V83 PolarHBondContact O-N 3.23Å; S81-V83 VanDerWaalsContact O-N 3.15Å; V83-S85 VanDerWaalsContact C-N 3.3Å; V83-S85 PolarHBondContact O-N 3.33Å
84	I	49.5	Very low	49.6	Very low	121 Å²	121	128.1 Å²	128.1	62%	0.621	75%	0.751	S	S	*	*			trans	-67.7	93.5	170.5	-60.4	169.8	0	0	0	106.7	L74 D82 T86	L74-I84 HydrophobicContact CD2-CD1 4.27Å; D82-I84 VanDerWaalsContact C-N 3.33Å; D82-I84 PolarHBondContact O-N 3.28Å; I84-T86 HydrophobicContact CG2-CG2 4.49Å; I84-T86 PolarHBondContact O-N 3.18Å
85	S	44.3	Very low	49.1	Very low	102 Å²	102	125.2 Å²	125.2	71%	0.713	74%	0.741	S	S	*	*			trans	-83.4	93.9	170.5	-165.5	0	0	0	0	108.5	V83 T87	V83-S85 VanDerWaalsContact C-N 3.3Å; V83-S85 PolarHBondContact O-N 3.33Å; S85-T87 PolarHBondContact O-N 3.28Å
86	T	58.2	Low	48.9	Very low	117 Å²	117	125.8 Å²	125.8	72%	0.718	74%	0.744	S	S	*	*			trans	-78.5	107.4	171	15.2	0	0	0	0	109.8	I84	I84-T86 HydrophobicContact CG2-CG2 4.49Å; I84-T86 PolarHBondContact O-N 3.18Å
87	T	57	Low	48.4	Very low	119 Å²	119	128.1 Å²	128.1	73%	0.73	74%	0.741	S	S	*	*			trans	-80.2	116.3	166.2	-52	0	0	0	0	108.8	S85	S85-T87 PolarHBondContact O-N 3.28Å
88	V	48.5	Very low	48.2	Very low	126 Å²	126	128.3 Å²	128.3	76%	0.764	74%	0.737	S	S	*	*			trans	-90.8	111.2	171.1	-178.6	0	0	0	0	108.3
89	S	47.3	Very low	47.7	Very low	95 Å²	95	126.9 Å²	126.9	66%	0.664	73%	0.734	S	S	*	*			trans	-97.6	121.6	171.5	-56	0	0	0	0	109.4
90	F	49.2	Very low	47.4	Very low	179 Å²	179	129.5 Å²	129.5	79%	0.785	74%	0.741	S	S	*	*			trans	-96.5	122.9	166.7	47.4	-91.6	0	0	0	109.3	A92	F90-A92 PolarHBondContact O-N 3.18Å
91	S	45.2	Very low	47.3	Very low	118 Å²	118	135.3 Å²	135.3	83%	0.825	75%	0.753	S	S	*	*			trans	-77.6	106.7	165.7	-48.4	0	0	0	0	107.2	Y93	S91-Y93 PolarHBondContact O-N 3.07Å
92	A	46.6	Very low	47.2	Very low	87 Å²	87	134.8 Å²	134.8	72%	0.719	75%	0.749	S	S	*	*			trans	-64.5	104.3	170.4	0	0	0	0	0	107.9	F90 N94	F90-A92 PolarHBondContact O-N 3.18Å; A92-N94 VanDerWaalsContact C-N 3.3Å; A92-N94 PolarHBondContact O-N 3.18Å
93	Y	47.4	Very low	46.8	Very low	210 Å²	210	136.5 Å²	136.5	82%	0.824	76%	0.758	S	S	*	*			trans	-68.4	93.7	171.9	-162.5	-101.1	0	0	0	107.2	S91 S95	S91-Y93 PolarHBondContact O-N 3.07Å; Y93-S95 WeakPolarHBondContact CD1-OG 3.48Å; Y93-S95 WeakPolarHBondContact CE1-OG 3.39Å; Y93-S95 PolarHBondContact O-N 3.12Å
94	N	47.1	Very low	46.6	Very low	148 Å²	148	135.9 Å²	135.9	79%	0.791	76%	0.759	S	S	*	*			trans	-73.6	80.9	175.7	-143.1	21.2	0	0	0	107.1	A92 D96	A92-N94 VanDerWaalsContact C-N 3.3Å; A92-N94 PolarHBondContact O-N 3.18Å; N94-D96 PolarHBondContact O-N 2.78Å
95	S	47.2	Very low	46.2	Very low	67 Å²	67	141.8 Å²	141.8	47%	0.469	79%	0.792	S	S	.	*			trans	-72.1	111.4	166.1	-63.5	0	0	0	0	106.6	Y93 W97	Y93-S95 WeakPolarHBondContact CD1-OG 3.48Å; Y93-S95 WeakPolarHBondContact CE1-OG 3.39Å; Y93-S95 PolarHBondContact O-N 3.12Å; S95-W97 PolarHBondContact O-N 3.34Å
96	D	46.5	Very low	46.3	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	80%	0.796	S	S	*	*			trans	-29.3	111.7	171.2	-88.2	-41.5	0	0	0	111.8	N94 H98	N94-D96 PolarHBondContact O-N 2.78Å; D96-H98 PolarHBondContact O-N 3.42Å
97	W	44.4	Very low	45.6	Very low	206 Å²	206	145.2 Å²	145.2	78%	0.78	80%	0.801	S	S	*	*			trans	-68.2	59.9	170.1	-84.2	22.4	0	0	0	110.3	W24 S95	W24-W97 HydrophobicContact CZ2-CH2 4.28Å; S95-W97 PolarHBondContact O-N 3.34Å
98	H	46.7	Very low	45	Very low	168 Å²	168	146.7 Å²	146.7	78%	0.778	80%	0.804	S	S	*	*			trans	-152.4	119.5	172.3	-89.4	-69.9	0	0	0	111.6	D96	D96-H98 PolarHBondContact O-N 3.42Å
99	T	40.9	Very low	44.8	Very low	128 Å²	128	147.9 Å²	147.9	79%	0.785	81%	0.807	S	S	*	*			trans	92.4	80.6	154.2	-37.5	0	0	0	0	117.4
100	V	42.1	Very low	44.7	Very low	134 Å²	134	151.2 Å²	151.2	81%	0.812	82%	0.816	S	S	*	*			trans	-159.4	74.8	140.9	-104.4	0	0	0	0	110.1
101	M	42.8	Very low	44.4	Very low	189 Å²	189	149.3 Å²	149.3	93%	0.931	82%	0.818	S	S	*	*			trans	-118.8	78.4	146.2	-73.7	-165.1	-72.1	0	0	106.5	N103	M101-N103 PolarHBondContact O-N 3.27Å
102	S	44.3	Very low	44.3	Very low	101 Å²	101	151.6 Å²	151.6	71%	0.706	82%	0.817	S	S	*	*			trans	-61.6	115.7	163.5	-62.3	0	0	0	0	107.7	S104	S102-S104 PolarHBondContact O-N 3.06Å
103	N	39.2	Very low	44.1	Very low	172 Å²	172	156.5 Å²	156.5	92%	0.92	83%	0.825	S	S	*	*			trans	-50.7	112.7	162.2	-90.4	-2.2	0	0	0	108.5	M101	M101-N103 PolarHBondContact O-N 3.27Å
104	S	44.2	Very low	43.8	Very low	115 Å²	115	152.1 Å²	152.1	80%	0.804	83%	0.825	S	S	*	*			trans	-101.5	109.8	167.4	50	0	0	0	0	109.1	S102	S102-S104 PolarHBondContact O-N 3.06Å
105	N	40.8	Very low	43.5	Very low	246 Å²	246	152.5 Å²	152.5	100%	1.316	83%	0.828	S	S	*	*			trans	63.3	0	170.3	-85.2	2.2	0	0	0	120.3

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