A0A5K4F7F1_SCHMA Loading...

ATP-dependent DNA ligase

AlphaFold DB , UniProt , Accession A0A5K4F7F1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 65 aa.

						>A0A5K4F7F1_SCHMA|A0A5K4F7F1
MVITITSSAISKLQEKYQPIKFHFFDILINRKDISTQISKTYKKLHKTDQILNGYNNDPTLDEKI
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65	Low	82.9	Confident	213 Å²	213	101.9 Å²	101.9	100%	1.049	60%	0.597	S	S	*	*				0	117.9	0	-173.6	176	84.6	0	0	107.7	I3	M1-I3 HydrophobicContact CE-CD1 3.96Å; M1-I3 HydrophobicContact CE-CG1 4.18Å
2	V	77.9	Confident	83.1	Confident	136 Å²	136	105.1 Å²	105.1	82%	0.824	60%	0.598	S	S	*	*			trans	-105.6	123.4	176.3	178	0	0	0	0	107.5
3	I	82.9	Confident	82.9	Confident	124 Å²	124	103.4 Å²	103.4	64%	0.636	59%	0.586	S	S	*	*			trans	-97.3	123.3	173.5	-61.3	166.5	0	0	0	107.4	M1 I5	M1-I3 HydrophobicContact CE-CD1 3.96Å; M1-I3 HydrophobicContact CE-CG1 4.18Å; I3-I5 HydrophobicContact CG2-CG1 3.99Å
4	T	86.3	Confident	82.3	Confident	126 Å²	126	105.1 Å²	105.1	77%	0.773	59%	0.586	S	S	*	*			trans	-94.3	114.1	170.8	-57.2	0	0	0	0	108.4
5	I	83.2	Confident	81.9	Confident	99 Å²	99	107.7 Å²	107.7	51%	0.508	59%	0.592	S	S	.	*			trans	-96.7	124.5	174.8	-53.9	178.4	0	0	0	107.5	I3 A9 I10	I3-I5 HydrophobicContact CG2-CG1 3.99Å; I5-A9 HydrophobicContact CG2-CB 3.68Å; I5-I10 HydrophobicContact CG2-CG1 3.79Å
6	T	87.9	Confident	81.6	Confident	89 Å²	89	110.9 Å²	110.9	55%	0.546	60%	0.598	S	S	.	*			trans	-71.9	151.9	176.5	64	0	0	0	0	110.6	S8 A9 I10	T6-S8 PolarHBondContact O-N 3.14Å; T6-S8 VanDerWaalsContact O-N 3.14Å; T6-A9 WeakPolarHBondContact O-CB 3.48Å; T6-A9 PolarHBondContact O-N 3.4Å; T6-A9 PolarHBondContact OG1-N 3.19Å; T6-I10 PolarHBondContact O-N 3.08Å; T6-I10 VanDerWaalsContact O-N 3.14Å
7	S	86.5	Confident	81	Confident	96 Å²	96	113.4 Å²	113.4	67%	0.671	60%	0.598	S	S	*	*	H	α-helix	trans	-55.1	-34.7	177.1	-48.6	0	0	0	0	112.5	A9 I10 S11	S7-A9 PolarHBondContact O-N 3.37Å; S7-I10 WeakPolarHBondContact O-CB 3.45Å; S7-I10 PolarHBondContact O-N 3Å; S7-S11 PolarHBondContact O-N 3.14Å; S7-S11 PolarHBondContact O-OG 3.31Å
8	S	88.5	Confident	80	Confident	71 Å²	71	115.7 Å²	115.7	50%	0.497	61%	0.605	S	S	.	*	H	α-helix	trans	-63.6	-39	175	-178.9	0	0	0	0	113	T6 I10 S11 K12	T6-S8 PolarHBondContact O-N 3.14Å; T6-S8 VanDerWaalsContact O-N 3.14Å; S8-I10 VanDerWaalsContact C-N 3.33Å; S8-S11 PolarHBondContact O-N 2.95Å; S8-K12 WeakPolarHBondContact O-CG 3.48Å; S8-K12 PolarHBondContact O-N 3.23Å; S8-K12 VanDerWaalsContact O-N 3.08Å
9	A	87.2	Confident	79.1	Confident	35 Å²	35	115.2 Å²	115.2	29%	0.289	61%	0.61	S	S	.	*	H	α-helix	trans	-67.4	-36.3	175.4	0	0	0	0	0	111.4	I5 T6 S7 K12 L13	I5-A9 HydrophobicContact CG2-CB 3.68Å; T6-A9 WeakPolarHBondContact O-CB 3.48Å; T6-A9 PolarHBondContact O-N 3.4Å; T6-A9 PolarHBondContact OG1-N 3.19Å; S7-A9 PolarHBondContact O-N 3.37Å; A9-K12 PolarHBondContact O-N 3.45Å; A9-L13 VanDerWaalsContact O-CG 3.27Å; A9-L13 WeakPolarHBondContact O-CG 3.45Å; A9-L13 PolarHBondContact O-N 3.38Å
10	I	83.5	Confident	78.4	Confident	79 Å²	79	116 Å²	116	41%	0.405	61%	0.613	S	S	.	*	H	α-helix	trans	-61.5	-47	173.2	-60.3	174	0	0	0	110.4	I5 T6 S7 S8 K12 L13 Q14	I5-I10 HydrophobicContact CG2-CG1 3.79Å; T6-I10 PolarHBondContact O-N 3.08Å; T6-I10 VanDerWaalsContact O-N 3.14Å; S7-I10 WeakPolarHBondContact O-CB 3.45Å; S7-I10 PolarHBondContact O-N 3Å; S8-I10 VanDerWaalsContact C-N 3.33Å; I10-K12 PolarHBondContact O-N 2.91Å; I10-L13 WeakPolarHBondContact O-CB 3.41Å; I10-L13 PolarHBondContact O-N 3.13Å; I10-L13 VanDerWaalsContact O-N 3.13Å; I10-Q14 HydrophobicContact CG2-CG 4.39Å; I10-Q14 WeakPolarHBondContact O-CG 3.46Å; I10-Q14 PolarHBondContact O-N 3.49Å
11	S	83.5	Confident	77.6	Confident	53 Å²	53	119 Å²	119	37%	0.371	62%	0.621	S	S	.	*	H	α-helix	trans	-59.3	-44.7	178	-57.1	0	0	0	0	112.2	S7 S8 L13 Q14 E15	S7-S11 PolarHBondContact O-N 3.14Å; S7-S11 PolarHBondContact O-OG 3.31Å; S8-S11 PolarHBondContact O-N 2.95Å; S11-L13 VanDerWaalsContact C-N 3.3Å; S11-L13 PolarHBondContact O-N 3Å; S11-Q14 PolarHBondContact O-N 2.97Å; S11-Q14 VanDerWaalsContact O-N 3.16Å; S11-E15 WeakPolarHBondContact O-CG 3.2Å; S11-E15 PolarHBondContact O-N 3.16Å
12	K	84.7	Confident	77.3	Confident	140 Å²	140	115.3 Å²	115.3	61%	0.609	60%	0.599	S	S	*	*	H	α-helix	trans	-62.7	-36.1	175.9	-71.9	179.3	-179.9	-177.9	0	112.7	S8 A9 I10 K16	S8-K12 WeakPolarHBondContact O-CG 3.48Å; S8-K12 PolarHBondContact O-N 3.23Å; S8-K12 VanDerWaalsContact O-N 3.08Å; A9-K12 PolarHBondContact O-N 3.45Å; I10-K12 PolarHBondContact O-N 2.91Å; K12-K16 VanDerWaalsContact O-CB 3.27Å; K12-K16 WeakPolarHBondContact O-CB 3.27Å; K12-K16 PolarHBondContact O-N 3.35Å
13	L	80.4	Confident	76.4	Confident	83 Å²	83	115.2 Å²	115.2	44%	0.435	59%	0.589	S	S	.	*	H	α-helix	trans	-68.4	-41.6	174.3	-70.7	169.3	0	0	0	110.9	A9 I10 S11 E15 K16 Y17	A9-L13 VanDerWaalsContact O-CG 3.27Å; A9-L13 WeakPolarHBondContact O-CG 3.45Å; A9-L13 PolarHBondContact O-N 3.38Å; I10-L13 WeakPolarHBondContact O-CB 3.41Å; I10-L13 PolarHBondContact O-N 3.13Å; I10-L13 VanDerWaalsContact O-N 3.13Å; S11-L13 VanDerWaalsContact C-N 3.3Å; S11-L13 PolarHBondContact O-N 3Å; L13-E15 VanDerWaalsContact C-N 3.33Å; L13-E15 PolarHBondContact O-N 2.87Å; L13-K16 PolarHBondContact O-N 2.79Å; L13-Y17 HydrophobicContact CB-CD2 4.4Å; L13-Y17 HydrophobicContact CD2-CD2 4.2Å; L13-Y17 HydrophobicContact CD2-CE2 3.75Å; L13-Y17 WeakPolarHBondContact O-CB 3.27Å; L13-Y17 WeakPolarHBondContact O-CD2 3.37Å; L13-Y17 PolarHBondContact O-N 3.42Å
14	Q	74.8	Confident	75.1	Confident	127 Å²	127	115.3 Å²	115.3	59%	0.593	59%	0.586	S	S	*	*	H	α-helix	trans	-64.3	-35.9	175.9	-71	176.6	-45.4	0	0	112.7	I10 S11 Y17 Q18	I10-Q14 HydrophobicContact CG2-CG 4.39Å; I10-Q14 WeakPolarHBondContact O-CG 3.46Å; I10-Q14 PolarHBondContact O-N 3.49Å; S11-Q14 PolarHBondContact O-N 2.97Å; S11-Q14 VanDerWaalsContact O-N 3.16Å; Q14-Y17 CarbonylContact O-C 3.21Å; Q14-Y17 VanDerWaalsContact O-O 3.08Å; Q14-Q18 PolarHBondContact O-N 3.43Å
15	E	77	Confident	73.8	Confident	144 Å²	144	117.1 Å²	117.1	67%	0.673	58%	0.583	S	S	*	*	H	α-helix	trans	-68.4	-44	173.4	-73.4	172.4	-168.7	0	0	111.8	S11 L13	S11-E15 WeakPolarHBondContact O-CG 3.2Å; S11-E15 PolarHBondContact O-N 3.16Å; L13-E15 VanDerWaalsContact C-N 3.33Å; L13-E15 PolarHBondContact O-N 2.87Å
16	K	77.1	Confident	72.6	Confident	159 Å²	159	116.3 Å²	116.3	69%	0.691	58%	0.58	S	S	*	*	H	α-helix	trans	-68	-38.9	179.5	-173.8	175.6	-177	-178.4	0	112.2	K12 L13	K12-K16 VanDerWaalsContact O-CB 3.27Å; K12-K16 WeakPolarHBondContact O-CB 3.27Å; K12-K16 PolarHBondContact O-N 3.35Å; L13-K16 PolarHBondContact O-N 2.79Å
17	Y	70.2	Confident	71.3	Confident	154 Å²	154	116.9 Å²	116.9	60%	0.604	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	69.5	176	-57.1	-77.5	0	0	0	107.8	L13 Q14	L13-Y17 HydrophobicContact CB-CD2 4.4Å; L13-Y17 HydrophobicContact CD2-CD2 4.2Å; L13-Y17 HydrophobicContact CD2-CE2 3.75Å; L13-Y17 WeakPolarHBondContact O-CB 3.27Å; L13-Y17 WeakPolarHBondContact O-CD2 3.37Å; L13-Y17 PolarHBondContact O-N 3.42Å; Q14-Y17 CarbonylContact O-C 3.21Å; Q14-Y17 VanDerWaalsContact O-O 3.08Å
18	Q	64.3	Low	70.2	Confident	154 Å²	154	117.5 Å²	117.5	72%	0.72	57%	0.574	S	S	*	*			trans	-48.4	137.6	166.5	-70.2	-157.5	9	0	0	108.2	Q14 I20	Q14-Q18 PolarHBondContact O-N 3.43Å; Q18-I20 PolarHBondContact O-N 3Å
19	P	62.8	Low	68.9	Low	106 Å²	106	119.3 Å²	119.3	69%	0.688	58%	0.576	S	S	*	*			trans	-52.4	122.7	177.6	20.4	-30.3	0	0	0	107.4	K21	P19-K21 PolarHBondContact O-N 2.7Å
20	I	64.1	Low	67.9	Low	132 Å²	132	122.3 Å²	122.3	68%	0.677	59%	0.588	S	S	*	*			trans	-58.8	95.1	174.4	-60.7	170.4	0	0	0	105.4	Q18 F22	Q18-I20 PolarHBondContact O-N 3Å; I20-F22 HydrophobicContact CB-CD2 4.32Å; I20-F22 HydrophobicContact CB-CE2 4.1Å; I20-F22 HydrophobicContact CG2-CD1 4.47Å; I20-F22 HydrophobicContact CG2-CD2 3.76Å; I20-F22 HydrophobicContact CG2-CE1 4.37Å; I20-F22 HydrophobicContact CG2-CE2 3.64Å; I20-F22 HydrophobicContact CG2-CG 4.19Å; I20-F22 HydrophobicContact CG2-CZ 3.96Å; I20-F22 WeakPolarHBondContact O-CD2 3.41Å; I20-F22 PolarHBondContact O-N 3.15Å
21	K	60.9	Low	67	Low	178 Å²	178	127.2 Å²	127.2	77%	0.774	60%	0.601	S	S	*	*			trans	-69.6	88.2	167.7	-82.2	-175.3	178.2	178	0	105.2	P19 H23	P19-K21 PolarHBondContact O-N 2.7Å; K21-H23 PolarHBondContact O-N 3.11Å; K21-H23 VanDerWaalsContact O-N 3.11Å; K21-H23 PolarHBondContact O-ND1 2.75Å
22	F	58.8	Low	66.4	Low	137 Å²	137	132.3 Å²	132.3	60%	0.601	62%	0.617	S	S	*	*			trans	-55.4	118.2	164.5	-76.2	-86.9	0	0	0	106.8	I20 F24	I20-F22 HydrophobicContact CB-CD2 4.32Å; I20-F22 HydrophobicContact CB-CE2 4.1Å; I20-F22 HydrophobicContact CG2-CD1 4.47Å; I20-F22 HydrophobicContact CG2-CD2 3.76Å; I20-F22 HydrophobicContact CG2-CE1 4.37Å; I20-F22 HydrophobicContact CG2-CE2 3.64Å; I20-F22 HydrophobicContact CG2-CG 4.19Å; I20-F22 HydrophobicContact CG2-CZ 3.96Å; I20-F22 WeakPolarHBondContact O-CD2 3.41Å; I20-F22 PolarHBondContact O-N 3.15Å; F22-F24 HydrophobicContact CB-CD2 3.33Å; F22-F24 HydrophobicContact CB-CE2 3.15Å; F22-F24 HydrophobicContact CB-CG 4.27Å; F22-F24 HydrophobicContact CB-CZ 3.95Å; F22-F24 HydrophobicContact CD1-CE2 4.4Å; F22-F24 HydrophobicContact CD1-CZ 4.46Å; F22-F24 HydrophobicContact CD2-CE2 4.27Å; F22-F24 HydrophobicContact CG-CD2 4.38Å; F22-F24 AromaticContact CG-CE2 3.73Å; F22-F24 HydrophobicContact CG-CE2 3.73Å; F22-F24 HydrophobicContact CG-CZ 4.21Å; F22-F24 PolarHBondContact O-N 3.33Å
23	H	58.9	Low	65.9	Low	133 Å²	133	129.6 Å²	129.6	62%	0.616	61%	0.608	S	S	*	*			trans	-70.5	59.3	176.5	-76.4	78	0	0	0	110.2	K21 F25 D26	K21-H23 PolarHBondContact O-N 3.11Å; K21-H23 VanDerWaalsContact O-N 3.11Å; K21-H23 PolarHBondContact O-ND1 2.75Å; H23-F25 PolarHBondContact O-N 3.33Å; H23-D26 IonicContact CD2-OD2 3.15Å; H23-D26 PolarHBondContact CD2-OD2 2.95Å; H23-D26 IonicContact CG-OD2 3.69Å; H23-D26 PolarHBondContact O-N 3.08Å
24	F	56.4	Low	65.8	Low	127 Å²	127	130 Å²	130	56%	0.557	61%	0.611	S	S	*	*	H	α-helix	trans	-62.8	-30.1	177.1	-77.8	-71.9	0	0	0	111.6	F22 I27 L28	F22-F24 HydrophobicContact CB-CD2 3.33Å; F22-F24 HydrophobicContact CB-CE2 3.15Å; F22-F24 HydrophobicContact CB-CG 4.27Å; F22-F24 HydrophobicContact CB-CZ 3.95Å; F22-F24 HydrophobicContact CD1-CE2 4.4Å; F22-F24 HydrophobicContact CD1-CZ 4.46Å; F22-F24 HydrophobicContact CD2-CE2 4.27Å; F22-F24 HydrophobicContact CG-CD2 4.38Å; F22-F24 AromaticContact CG-CE2 3.73Å; F22-F24 HydrophobicContact CG-CE2 3.73Å; F22-F24 HydrophobicContact CG-CZ 4.21Å; F22-F24 PolarHBondContact O-N 3.33Å; F24-I27 PolarHBondContact O-N 3.28Å; F24-L28 WeakPolarHBondContact O-CB 3.3Å; F24-L28 PolarHBondContact O-N 2.85Å
25	F	58.6	Low	66	Low	163 Å²	163	127.7 Å²	127.7	72%	0.715	61%	0.608	S	S	*	*	H	α-helix	trans	-64.8	-41.3	-179.7	-73.5	-73.1	0	0	0	112.8	H23 I27 L28 I29	H23-F25 PolarHBondContact O-N 3.33Å; F25-I27 VanDerWaalsContact C-N 3.32Å; F25-I27 PolarHBondContact O-N 3.06Å; F25-L28 PolarHBondContact O-N 3.41Å; F25-I29 VanDerWaalsContact O-CG1 3.3Å; F25-I29 WeakPolarHBondContact O-CG1 3.42Å; F25-I29 PolarHBondContact O-N 3.45Å
26	D	59.3	Low	66.1	Low	82 Å²	82	123.7 Å²	123.7	44%	0.439	59%	0.593	S	S	.	*	H	α-helix	trans	-66	-38.2	-179.5	-62.2	-23.7	0	0	0	111.5	H23 N30	H23-D26 IonicContact CD2-OD2 3.15Å; H23-D26 PolarHBondContact CD2-OD2 2.95Å; H23-D26 IonicContact CG-OD2 3.69Å; H23-D26 PolarHBondContact O-N 3.08Å; D26-N30 WeakPolarHBondContact O-CB 3.43Å; D26-N30 VanDerWaalsContact O-CG 3.25Å; D26-N30 PolarHBondContact O-N 3.12Å; D26-N30 VanDerWaalsContact O-N 3.08Å; D26-N30 PolarHBondContact O-ND2 3.46Å; D26-N30 VanDerWaalsContact O-ND2 3.12Å
27	I	60.4	Low	66.3	Low	102 Å²	102	121.1 Å²	121.1	52%	0.523	58%	0.584	S	S	.	*	H	α-helix	trans	-68.2	-41.1	177.4	-59.7	174.1	0	0	0	110.9	F24 F25 R31	F24-I27 PolarHBondContact O-N 3.28Å; F25-I27 VanDerWaalsContact C-N 3.32Å; F25-I27 PolarHBondContact O-N 3.06Å; I27-R31 WeakPolarHBondContact O-CG 3.49Å; I27-R31 PolarHBondContact O-N 3.33Å; I27-R31 VanDerWaalsContact O-N 3.08Å
28	L	63.1	Low	66.8	Low	109 Å²	109	118 Å²	118	57%	0.571	58%	0.577	S	S	*	*	H	α-helix	trans	-65.7	-42.1	178	-85.3	157.6	0	0	0	112.2	F24 F25 R31 K32	F24-L28 WeakPolarHBondContact O-CB 3.3Å; F24-L28 PolarHBondContact O-N 2.85Å; F25-L28 PolarHBondContact O-N 3.41Å; L28-R31 PolarHBondContact O-N 3.39Å; L28-K32 PolarHBondContact O-N 2.8Å; L28-K32 VanDerWaalsContact O-N 3.17Å
29	I	60.8	Low	67.7	Low	108 Å²	108	113.4 Å²	113.4	55%	0.554	56%	0.562	S	S	*	*	H	α-helix	trans	-62.1	-48.2	176.8	-69.1	169	0	0	0	110	F25 R31 K32 D33	F25-I29 VanDerWaalsContact O-CG1 3.3Å; F25-I29 WeakPolarHBondContact O-CG1 3.42Å; F25-I29 PolarHBondContact O-N 3.45Å; I29-R31 VanDerWaalsContact C-N 3.31Å; I29-R31 PolarHBondContact O-N 3.08Å; I29-K32 PolarHBondContact O-N 3.49Å; I29-D33 PolarHBondContact O-N 3.02Å; I29-D33 VanDerWaalsContact O-N 3.08Å
30	N	66.9	Low	68.8	Low	98 Å²	98	115.1 Å²	115.1	52%	0.524	56%	0.558	S	S	.	*	H	α-helix	trans	-59.7	-39.9	179.2	-74.7	-27.9	0	0	0	112.2	D26 D33 I34	D26-N30 WeakPolarHBondContact O-CB 3.43Å; D26-N30 VanDerWaalsContact O-CG 3.25Å; D26-N30 PolarHBondContact O-N 3.12Å; D26-N30 VanDerWaalsContact O-N 3.08Å; D26-N30 PolarHBondContact O-ND2 3.46Å; D26-N30 VanDerWaalsContact O-ND2 3.12Å; N30-D33 PolarHBondContact O-N 3.22Å; N30-I34 WeakPolarHBondContact O-CB 3.34Å; N30-I34 WeakPolarHBondContact O-CD1 3.44Å; N30-I34 WeakPolarHBondContact O-CG1 3.16Å; N30-I34 PolarHBondContact O-N 3.08Å
31	R	64.5	Low	69.6	Low	183 Å²	183	112.7 Å²	112.7	69%	0.691	55%	0.55	S	S	*	.	H	α-helix	trans	-65.3	-41.7	177.4	-77.5	-175.5	174.4	-134.4	-0.4	113.2	I27 L28 I29 S35	I27-R31 WeakPolarHBondContact O-CG 3.49Å; I27-R31 PolarHBondContact O-N 3.33Å; I27-R31 VanDerWaalsContact O-N 3.08Å; L28-R31 PolarHBondContact O-N 3.39Å; I29-R31 VanDerWaalsContact C-N 3.31Å; I29-R31 PolarHBondContact O-N 3.08Å; R31-S35 WeakPolarHBondContact O-CB 3.42Å; R31-S35 PolarHBondContact O-N 2.81Å
32	K	69.9	Low	70.4	Confident	160 Å²	160	111.9 Å²	111.9	70%	0.696	54%	0.543	S	S	*	.	H	α-helix	trans	-66.6	-39.8	179.7	-172.1	178.5	178.4	-177.9	0	111.5	L28 I29 T36	L28-K32 PolarHBondContact O-N 2.8Å; L28-K32 VanDerWaalsContact O-N 3.17Å; I29-K32 PolarHBondContact O-N 3.49Å; K32-T36 WeakPolarHBondContact O-CB 3.28Å; K32-T36 PolarHBondContact O-N 3.08Å; K32-T36 VanDerWaalsContact O-N 3.08Å; K32-T36 PolarHBondContact O-OG1 3.4Å
33	D	75.6	Confident	71.3	Confident	82 Å²	82	112.1 Å²	112.1	44%	0.439	54%	0.544	S	S	.	.	H	α-helix	trans	-67.3	-47.4	177.7	-170.7	46.4	0	0	0	111.6	I29 N30 S35 T36 Q37	I29-D33 PolarHBondContact O-N 3.02Å; I29-D33 VanDerWaalsContact O-N 3.08Å; N30-D33 PolarHBondContact O-N 3.22Å; D33-S35 VanDerWaalsContact C-N 3.33Å; D33-S35 PolarHBondContact O-N 3.17Å; D33-T36 WeakPolarHBondContact O-CB 3.5Å; D33-T36 PolarHBondContact O-N 3.33Å; D33-Q37 WeakPolarHBondContact O-CG 3.43Å; D33-Q37 PolarHBondContact O-N 3.25Å; D33-Q37 PolarHBondContact OD2-NE2 2.87Å
34	I	77.6	Confident	72.4	Confident	93 Å²	93	113 Å²	113	48%	0.477	55%	0.546	S	S	.	.	H	α-helix	trans	-55.8	-47.1	175.5	-69.5	165	0	0	0	111.3	N30 T36 Q37 I38	N30-I34 WeakPolarHBondContact O-CB 3.34Å; N30-I34 WeakPolarHBondContact O-CD1 3.44Å; N30-I34 WeakPolarHBondContact O-CG1 3.16Å; N30-I34 PolarHBondContact O-N 3.08Å; I34-T36 VanDerWaalsContact C-N 3.3Å; I34-T36 PolarHBondContact O-N 3.02Å; I34-Q37 PolarHBondContact O-N 3.06Å; I34-I38 HydrophobicContact CG2-CD1 3.69Å; I34-I38 HydrophobicContact CG2-CG1 4.38Å; I34-I38 WeakPolarHBondContact O-CB 3.48Å; I34-I38 VanDerWaalsContact O-CG1 3.28Å; I34-I38 WeakPolarHBondContact O-CG1 3.41Å; I34-I38 PolarHBondContact O-N 3.28Å
35	S	79.1	Confident	73.4	Confident	77 Å²	77	112 Å²	112	54%	0.538	55%	0.546	S	S	.	.	H	α-helix	trans	-60	-40.8	177.6	-178	0	0	0	0	112.3	R31 D33 I38 S39	R31-S35 WeakPolarHBondContact O-CB 3.42Å; R31-S35 PolarHBondContact O-N 2.81Å; D33-S35 VanDerWaalsContact C-N 3.33Å; D33-S35 PolarHBondContact O-N 3.17Å; S35-I38 PolarHBondContact O-N 3.06Å; S35-S39 PolarHBondContact O-N 3.38Å
36	T	79	Confident	74.3	Confident	60 Å²	60	109.3 Å²	109.3	37%	0.368	54%	0.535	S	S	.	.	H	α-helix	trans	-66.7	-42.8	178.1	-57.5	0	0	0	0	111.5	K32 D33 I34 S39 K40	K32-T36 WeakPolarHBondContact O-CB 3.28Å; K32-T36 PolarHBondContact O-N 3.08Å; K32-T36 VanDerWaalsContact O-N 3.08Å; K32-T36 PolarHBondContact O-OG1 3.4Å; D33-T36 WeakPolarHBondContact O-CB 3.5Å; D33-T36 PolarHBondContact O-N 3.33Å; I34-T36 VanDerWaalsContact C-N 3.3Å; I34-T36 PolarHBondContact O-N 3.02Å; T36-S39 PolarHBondContact O-N 2.93Å; T36-K40 WeakPolarHBondContact O-CG 3.31Å; T36-K40 PolarHBondContact O-N 3.21Å
37	Q	81.1	Confident	75.1	Confident	105 Å²	105	112 Å²	112	49%	0.491	54%	0.543	S	S	.	.	H	α-helix	trans	-63.8	-44.9	176.8	-69.2	-169.6	51.7	0	0	111.5	D33 I34 S39 K40 T41	D33-Q37 WeakPolarHBondContact O-CG 3.43Å; D33-Q37 PolarHBondContact O-N 3.25Å; D33-Q37 PolarHBondContact OD2-NE2 2.87Å; I34-Q37 PolarHBondContact O-N 3.06Å; Q37-S39 PolarHBondContact O-N 3.03Å; Q37-K40 PolarHBondContact O-N 2.95Å; Q37-T41 PolarHBondContact O-N 2.92Å; Q37-T41 PolarHBondContact O-OG1 3.49Å; Q37-T41 VanDerWaalsContact O-OG1 3.12Å
38	I	79.8	Confident	75.8	Confident	88 Å²	88	110.8 Å²	110.8	45%	0.451	54%	0.54	S	S	.	.	H	α-helix	trans	-58.3	-47.4	175.8	-70.1	169.5	0	0	0	110.6	I34 S35 K40 T41 Y42	I34-I38 HydrophobicContact CG2-CD1 3.69Å; I34-I38 HydrophobicContact CG2-CG1 4.38Å; I34-I38 WeakPolarHBondContact O-CB 3.48Å; I34-I38 VanDerWaalsContact O-CG1 3.28Å; I34-I38 WeakPolarHBondContact O-CG1 3.41Å; I34-I38 PolarHBondContact O-N 3.28Å; S35-I38 PolarHBondContact O-N 3.06Å; I38-K40 PolarHBondContact O-N 2.94Å; I38-T41 PolarHBondContact O-N 3.02Å; I38-Y42 HydrophobicContact CG2-CD2 3.57Å; I38-Y42 HydrophobicContact CG2-CE2 3.51Å; I38-Y42 VanDerWaalsContact O-CD2 3.31Å; I38-Y42 WeakPolarHBondContact O-CD2 3.43Å; I38-Y42 PolarHBondContact O-N 3.42Å
39	S	84.3	Confident	76.2	Confident	58 Å²	58	109.4 Å²	109.4	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-60.6	-41.4	178.2	-173.6	0	0	0	0	112.8	S35 T36 Q37 Y42 K43	S35-S39 PolarHBondContact O-N 3.38Å; T36-S39 PolarHBondContact O-N 2.93Å; Q37-S39 PolarHBondContact O-N 3.03Å; S39-Y42 PolarHBondContact O-N 3.49Å; S39-K43 WeakPolarHBondContact O-CG 3.42Å; S39-K43 PolarHBondContact O-N 3.12Å
40	K	85.5	Confident	76.8	Confident	143 Å²	143	109.4 Å²	109.4	62%	0.622	53%	0.531	S	S	*	.	H	α-helix	trans	-63.1	-43.4	175.2	-74.3	176.7	-179.1	176.1	0	111.7	T36 Q37 I38 K43 K44	T36-K40 WeakPolarHBondContact O-CG 3.31Å; T36-K40 PolarHBondContact O-N 3.21Å; Q37-K40 PolarHBondContact O-N 2.95Å; I38-K40 PolarHBondContact O-N 2.94Å; K40-K43 PolarHBondContact O-N 3.32Å; K40-K44 PolarHBondContact O-N 3.44Å
41	T	80.5	Confident	77.3	Confident	80 Å²	80	110.6 Å²	110.6	49%	0.491	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-45.6	177.9	-61.4	0	0	0	0	111.4	Q37 I38 K43 K44 L45	Q37-T41 PolarHBondContact O-N 2.92Å; Q37-T41 PolarHBondContact O-OG1 3.49Å; Q37-T41 VanDerWaalsContact O-OG1 3.12Å; I38-T41 PolarHBondContact O-N 3.02Å; T41-K43 VanDerWaalsContact C-N 3.35Å; T41-K43 PolarHBondContact O-N 3.37Å; T41-K44 PolarHBondContact O-N 2.92Å; T41-K44 VanDerWaalsContact O-N 3.14Å; T41-L45 HydrophobicContact CG2-CD1 4.08Å; T41-L45 HydrophobicContact CG2-CG 4.41Å; T41-L45 WeakPolarHBondContact O-CG 3.39Å; T41-L45 PolarHBondContact O-N 3.42Å
42	Y	78.4	Confident	77.6	Confident	162 Å²	162	106.8 Å²	106.8	64%	0.635	53%	0.529	S	S	*	.	H	α-helix	trans	-58.9	-43.9	174.1	-87.9	-71.9	0	0	0	112.4	I38 S39 K44 L45 H46	I38-Y42 HydrophobicContact CG2-CD2 3.57Å; I38-Y42 HydrophobicContact CG2-CE2 3.51Å; I38-Y42 VanDerWaalsContact O-CD2 3.31Å; I38-Y42 WeakPolarHBondContact O-CD2 3.43Å; I38-Y42 PolarHBondContact O-N 3.42Å; S39-Y42 PolarHBondContact O-N 3.49Å; Y42-K44 VanDerWaalsContact C-N 3.31Å; Y42-K44 PolarHBondContact O-N 3.24Å; Y42-L45 PolarHBondContact O-N 3.14Å; Y42-H46 WeakPolarHBondContact O-CB 3.34Å; Y42-H46 PolarHBondContact O-N 3.42Å
43	K	77.9	Confident	77.6	Confident	141 Å²	141	102.6 Å²	102.6	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-62.3	-37.9	175.5	-74	179.4	-177.1	-177	0	112.3	S39 K40 T41 K47	S39-K43 WeakPolarHBondContact O-CG 3.42Å; S39-K43 PolarHBondContact O-N 3.12Å; K40-K43 PolarHBondContact O-N 3.32Å; T41-K43 VanDerWaalsContact C-N 3.35Å; T41-K43 PolarHBondContact O-N 3.37Å; K43-K47 WeakPolarHBondContact O-CG 3.25Å; K43-K47 PolarHBondContact O-N 2.85Å; K43-K47 VanDerWaalsContact O-N 3.07Å
44	K	81.5	Confident	77.1	Confident	153 Å²	153	100.8 Å²	100.8	67%	0.665	52%	0.515	S	S	*	.	H	α-helix	trans	-68	-46.5	176.6	-172.5	176.4	179.8	-177.5	0	111.2	K40 T41 Y42 H46 K47 T48	K40-K44 PolarHBondContact O-N 3.44Å; T41-K44 PolarHBondContact O-N 2.92Å; T41-K44 VanDerWaalsContact O-N 3.14Å; Y42-K44 VanDerWaalsContact C-N 3.31Å; Y42-K44 PolarHBondContact O-N 3.24Å; K44-H46 VanDerWaalsContact C-N 3.34Å; K44-H46 PolarHBondContact O-N 3.1Å; K44-K47 PolarHBondContact O-N 3.47Å; K44-T48 PolarHBondContact O-N 3.07Å; K44-T48 PolarHBondContact O-OG1 2.87Å; K44-T48 VanDerWaalsContact O-OG1 3.1Å
45	L	77.5	Confident	76.1	Confident	105 Å²	105	102.9 Å²	102.9	55%	0.55	52%	0.518	S	S	.	.	H	α-helix	trans	-59.7	-44.2	176	-73.1	172	0	0	0	111.6	T41 Y42 K47 T48 D49	T41-L45 HydrophobicContact CG2-CD1 4.08Å; T41-L45 HydrophobicContact CG2-CG 4.41Å; T41-L45 WeakPolarHBondContact O-CG 3.39Å; T41-L45 PolarHBondContact O-N 3.42Å; Y42-L45 PolarHBondContact O-N 3.14Å; L45-K47 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 2.95Å; L45-T48 WeakPolarHBondContact O-CB 3.29Å; L45-T48 PolarHBondContact O-N 3.37Å; L45-D49 WeakPolarHBondContact O-CB 3.46Å; L45-D49 PolarHBondContact O-N 2.91Å
46	H	77.4	Confident	74.9	Confident	107 Å²	107	104.6 Å²	104.6	50%	0.495	52%	0.521	S	S	.	.	H	α-helix	trans	-63.1	-39.3	177.1	-171.7	57.2	0	0	0	112.4	Y42 K44 D49 Q50	Y42-H46 WeakPolarHBondContact O-CB 3.34Å; Y42-H46 PolarHBondContact O-N 3.42Å; K44-H46 VanDerWaalsContact C-N 3.34Å; K44-H46 PolarHBondContact O-N 3.1Å; H46-D49 PolarHBondContact O-N 3.3Å; H46-Q50 PolarHBondContact NE2-NE2 3.49Å; H46-Q50 WeakPolarHBondContact O-CB 3.47Å; H46-Q50 VanDerWaalsContact O-CG 3.29Å; H46-Q50 WeakPolarHBondContact O-CG 3.36Å; H46-Q50 PolarHBondContact O-N 3.44Å
47	K	77.3	Confident	73.7	Confident	137 Å²	137	108.1 Å²	108.1	60%	0.596	54%	0.537	S	S	*	.	H	α-helix	trans	-64.3	-42.1	172.4	-75.9	-178.6	176.6	-167.7	0	112.2	K43 K44 L45 D49 Q50 I51	K43-K47 WeakPolarHBondContact O-CG 3.25Å; K43-K47 PolarHBondContact O-N 2.85Å; K43-K47 VanDerWaalsContact O-N 3.07Å; K44-K47 PolarHBondContact O-N 3.47Å; L45-K47 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 2.95Å; K47-D49 VanDerWaalsContact C-N 3.33Å; K47-Q50 PolarHBondContact O-N 3.41Å; K47-I51 VanDerWaalsContact O-CG1 3.25Å; K47-I51 WeakPolarHBondContact O-CG1 3.43Å; K47-I51 PolarHBondContact O-N 2.92Å
48	T	74.1	Confident	72.5	Confident	78 Å²	78	106.5 Å²	106.5	48%	0.479	53%	0.532	S	S	.	.	H	α-helix	trans	-61.2	-43.6	175.9	-58.6	0	0	0	0	111.1	K44 L45 I51 L52	K44-T48 PolarHBondContact O-N 3.07Å; K44-T48 PolarHBondContact O-OG1 2.87Å; K44-T48 VanDerWaalsContact O-OG1 3.1Å; L45-T48 WeakPolarHBondContact O-CB 3.29Å; L45-T48 PolarHBondContact O-N 3.37Å; T48-I51 PolarHBondContact O-N 3.32Å; T48-L52 WeakPolarHBondContact O-CB 3.44Å; T48-L52 PolarHBondContact O-N 2.86Å
49	D	71.7	Confident	71.3	Confident	80 Å²	80	107.3 Å²	107.3	43%	0.428	54%	0.543	S	S	.	.	H	α-helix	trans	-64.9	-40.5	177.1	-174.1	57.5	0	0	0	112.1	L45 H46 K47 I51 L52 N53	L45-D49 WeakPolarHBondContact O-CB 3.46Å; L45-D49 PolarHBondContact O-N 2.91Å; H46-D49 PolarHBondContact O-N 3.3Å; K47-D49 VanDerWaalsContact C-N 3.33Å; D49-I51 PolarHBondContact O-N 3.29Å; D49-L52 PolarHBondContact O-N 2.87Å; D49-N53 VanDerWaalsContact O-CB 3.3Å; D49-N53 WeakPolarHBondContact O-CB 3.42Å; D49-N53 VanDerWaalsContact O-CG 3.31Å; D49-N53 PolarHBondContact O-N 2.98Å; D49-N53 PolarHBondContact O-ND2 3.28Å; D49-N53 VanDerWaalsContact O-ND2 3.16Å; D49-N53 PolarHBondContact OD1-ND2 3.17Å; D49-N53 PolarHBondContact OD2-ND2 2.89Å
50	Q	73.4	Confident	69.9	Low	107 Å²	107	108.9 Å²	108.9	50%	0.5	55%	0.551	S	S	.	*	H	α-helix	trans	-62.4	-41	172.7	-76.2	177.8	-19.6	0	0	112.8	H46 K47 G54	H46-Q50 PolarHBondContact NE2-NE2 3.49Å; H46-Q50 WeakPolarHBondContact O-CB 3.47Å; H46-Q50 VanDerWaalsContact O-CG 3.29Å; H46-Q50 WeakPolarHBondContact O-CG 3.36Å; H46-Q50 PolarHBondContact O-N 3.44Å; K47-Q50 PolarHBondContact O-N 3.41Å; Q50-G54 PolarHBondContact O-N 3.07Å
51	I	76.6	Confident	68.3	Low	123 Å²	123	106.6 Å²	106.6	63%	0.631	55%	0.545	S	S	*	.	H	α-helix	trans	-65.1	-44.4	176	-68.3	163.3	0	0	0	110	K47 T48 D49 G54 Y55	K47-I51 VanDerWaalsContact O-CG1 3.25Å; K47-I51 WeakPolarHBondContact O-CG1 3.43Å; K47-I51 PolarHBondContact O-N 2.92Å; T48-I51 PolarHBondContact O-N 3.32Å; D49-I51 PolarHBondContact O-N 3.29Å; I51-G54 PolarHBondContact O-N 3.32Å; I51-Y55 WeakPolarHBondContact O-CB 3.3Å; I51-Y55 PolarHBondContact O-N 3.49Å
52	L	72.2	Confident	67.1	Low	104 Å²	104	109.9 Å²	109.9	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-43.4	-178.8	-157.3	75	0	0	0	111.7	T48 D49 G54 Y55 N56	T48-L52 WeakPolarHBondContact O-CB 3.44Å; T48-L52 PolarHBondContact O-N 2.86Å; D49-L52 PolarHBondContact O-N 2.87Å; L52-G54 VanDerWaalsContact C-N 3.33Å; L52-Y55 PolarHBondContact O-N 3.16Å; L52-N56 VanDerWaalsContact O-CG 3.3Å; L52-N56 PolarHBondContact O-N 2.52Å; L52-N56 PolarHBondContact O-ND2 3.46Å
53	N	69.6	Low	65.9	Low	72 Å²	72	110.3 Å²	110.3	39%	0.385	57%	0.567	S	S	.	*	H	α-helix	trans	-69	-31.3	174.9	-71.6	-34.8	0	0	0	112.3	D49 N57	D49-N53 VanDerWaalsContact O-CB 3.3Å; D49-N53 WeakPolarHBondContact O-CB 3.42Å; D49-N53 VanDerWaalsContact O-CG 3.31Å; D49-N53 PolarHBondContact O-N 2.98Å; D49-N53 PolarHBondContact O-ND2 3.28Å; D49-N53 VanDerWaalsContact O-ND2 3.16Å; D49-N53 PolarHBondContact OD1-ND2 3.17Å; D49-N53 PolarHBondContact OD2-ND2 2.89Å; N53-N57 WeakPolarHBondContact O-CB 3.29Å; N53-N57 VanDerWaalsContact O-CG 3.32Å; N53-N57 PolarHBondContact O-N 3.06Å; N53-N57 PolarHBondContact O-ND2 3.04Å
54	G	64.5	Low	64.4	Low	44 Å²	44	112.8 Å²	112.8	45%	0.454	58%	0.578	S	S	.	*	H	α-helix	trans	-66.1	-41.3	170.7	0	0	0	0	0	112.1	Q50 I51 L52 N57 D58	Q50-G54 PolarHBondContact O-N 3.07Å; I51-G54 PolarHBondContact O-N 3.32Å; L52-G54 VanDerWaalsContact C-N 3.33Å; G54-N57 PolarHBondContact O-N 2.84Å; G54-D58 PolarHBondContact O-N 3.4Å
55	Y	55.8	Low	62.8	Low	137 Å²	137	116.2 Å²	116.2	54%	0.537	60%	0.601	S	S	.	*	H	α-helix	trans	-68.5	-35.4	178.2	-153.2	-91.7	0	0	0	112.4	I51 L52 N57 D58 L61	I51-Y55 WeakPolarHBondContact O-CB 3.3Å; I51-Y55 PolarHBondContact O-N 3.49Å; L52-Y55 PolarHBondContact O-N 3.16Å; Y55-N57 VanDerWaalsContact C-N 3.32Å; Y55-D58 PolarHBondContact O-N 3.28Å; Y55-L61 HydrophobicContact CD1-CD2 4.43Å; Y55-L61 HydrophobicContact CE1-CD1 4.05Å; Y55-L61 HydrophobicContact CE1-CD2 3.82Å
56	N	55.6	Low	62.1	Low	113 Å²	113	116.8 Å²	116.8	60%	0.604	60%	0.604	S	S	*	*	H	α-helix	trans	-76.8	-16	177.2	-69.9	-15.5	0	0	0	113.9	L52	L52-N56 VanDerWaalsContact O-CG 3.3Å; L52-N56 PolarHBondContact O-N 2.52Å; L52-N56 PolarHBondContact O-ND2 3.46Å
57	N	53.9	Low	61.3	Low	133 Å²	133	117.3 Å²	117.3	71%	0.711	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	11	175.8	-71.6	-36.3	0	0	0	112.3	N53 G54 Y55 P59	N53-N57 WeakPolarHBondContact O-CB 3.29Å; N53-N57 VanDerWaalsContact O-CG 3.32Å; N53-N57 PolarHBondContact O-N 3.06Å; N53-N57 PolarHBondContact O-ND2 3.04Å; G54-N57 PolarHBondContact O-N 2.84Å; Y55-N57 VanDerWaalsContact C-N 3.32Å; N57-P59 WeakPolarHBondContact O-CD 3.15Å
58	D	54.5	Low	60.4	Low	72 Å²	72	116.2 Å²	116.2	39%	0.385	61%	0.61	S	S	.	*			trans	-86	103.6	173.5	-166.8	-16.2	0	0	0	109.4	G54 Y55 T60 L61	G54-D58 PolarHBondContact O-N 3.4Å; Y55-D58 PolarHBondContact O-N 3.28Å; D58-T60 PolarHBondContact O-N 3.36Å; D58-T60 VanDerWaalsContact OD1-CB 3.29Å; D58-T60 WeakPolarHBondContact OD1-CB 3.46Å; D58-T60 PolarHBondContact OD1-N 2.97Å; D58-T60 PolarHBondContact OD1-OG1 3.25Å; D58-L61 PolarHBondContact O-N 3.48Å
59	P	54.6	Low	59.6	Low	104 Å²	104	118.5 Å²	118.5	68%	0.675	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-7.1	179.4	28.8	-35.3	0	0	0	112.9	N57 L61	N57-P59 WeakPolarHBondContact O-CD 3.15Å; P59-L61 VanDerWaalsContact C-N 3.35Å
60	T	55.4	Low	58.8	Low	92 Å²	92	120.9 Å²	120.9	56%	0.564	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-9	-178.3	-16.2	0	0	0	0	113.9	D58	D58-T60 PolarHBondContact O-N 3.36Å; D58-T60 VanDerWaalsContact OD1-CB 3.29Å; D58-T60 WeakPolarHBondContact OD1-CB 3.46Å; D58-T60 PolarHBondContact OD1-N 2.97Å; D58-T60 PolarHBondContact OD1-OG1 3.25Å
61	L	52.8	Low	57.8	Low	95 Å²	95	121.8 Å²	121.8	50%	0.497	64%	0.639	S	S	.	*	S	Bend	trans	-82	-28.9	178	-149.4	80.7	0	0	0	112.9	Y55 D58 P59 E63	Y55-L61 HydrophobicContact CD1-CD2 4.43Å; Y55-L61 HydrophobicContact CE1-CD1 4.05Å; Y55-L61 HydrophobicContact CE1-CD2 3.82Å; D58-L61 PolarHBondContact O-N 3.48Å; P59-L61 VanDerWaalsContact C-N 3.35Å; L61-E63 VanDerWaalsContact C-N 3.35Å
62	D	54.3	Low	56.5	Low	149 Å²	149	121.7 Å²	121.7	80%	0.797	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-9	-178.7	-79.6	-19.1	0	0	0	113.8
63	E	53	Low	55.3	Low	171 Å²	171	123.1 Å²	123.1	80%	0.799	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	9.9	178.7	-81.6	-169.7	163.4	0	0	114.6	L61	L61-E63 VanDerWaalsContact C-N 3.35Å
64	K	47.5	Very low	54.1	Low	192 Å²	192	127.3 Å²	127.3	84%	0.835	67%	0.668	S	S	*	*			trans	-120.5	13.3	-173.2	-108.1	-174.7	-178.3	-179.2	0	117.3
65	I	46.9	Very low	53.1	Low	226 Å²	226	134.9 Å²	134.9	100%	1.159	69%	0.688	S	S	*	*			trans	-129.9	0	170.3	-54.7	179.2	0	0	0	108.6

Retrieved 65 of 65 residues in 33.6 ms (Link to these results)

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