A0A3Q0KTF8_SCHMA Loading...

DNA primase

AlphaFold DB , UniProt , Accession A0A3Q0KTF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 81 aa.

						>A0A3Q0KTF8_SCHMA|A0A3Q0KTF8
MTQKHAHSFEKPILTDSHALRLYRVWCDKPAGTNFRSFYIYLVRNEYRFGKSTPVLGGQFPPRERGDGYCTDGTTTKTQSH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38.1	Very low	44.8	Very low	243 Å²	243	145.1 Å²	145.1	100%	1.197	74%	0.735	S	S	*	*				0	123.1	0	-70.1	175.4	-178.1	0	0	107.7	Q3	M1-Q3 PolarHBondContact O-N 3.39Å
2	T	40.3	Very low	45.7	Very low	140 Å²	140	138.9 Å²	138.9	86%	0.859	71%	0.712	S	S	*	*			trans	-62.1	116	-167.2	-32.4	0	0	0	0	110.8	K4	T2-K4 PolarHBondContact O-N 3.07Å
3	Q	42.2	Very low	46.9	Very low	167 Å²	167	136 Å²	136	78%	0.78	70%	0.697	S	S	*	*			trans	-61.6	102.5	168.4	-76.4	-175.9	58	0	0	107.2	M1 H5	M1-Q3 PolarHBondContact O-N 3.39Å; Q3-H5 PolarHBondContact O-N 3.16Å
4	K	43.2	Very low	47.9	Very low	197 Å²	197	126.4 Å²	126.4	86%	0.857	65%	0.648	S	S	*	*			trans	-63.7	96.9	163.3	-76.4	-178.9	176	179.7	0	105.3	T2 A6	T2-K4 PolarHBondContact O-N 3.07Å; K4-A6 PolarHBondContact O-N 2.82Å
5	H	42.1	Very low	48.8	Very low	138 Å²	138	122.5 Å²	122.5	64%	0.639	63%	0.633	S	S	*	*			trans	-60.7	81.2	155.9	-74.1	-179.8	0	0	0	105.9	Q3 H7	Q3-H5 PolarHBondContact O-N 3.16Å; H5-H7 PolarHBondContact O-N 3.1Å
6	A	44.9	Very low	49.3	Very low	81 Å²	81	121.7 Å²	121.7	67%	0.669	63%	0.63	S	S	*	*			trans	-60.7	89.1	151.1	0	0	0	0	0	103.5	K4 S8	K4-A6 PolarHBondContact O-N 2.82Å; A6-S8 PolarHBondContact O-N 2.77Å
7	H	41.2	Very low	49.7	Very low	127 Å²	127	119.1 Å²	119.1	59%	0.588	62%	0.624	S	S	*	*			trans	-61.1	68.7	155.8	-82.3	-79.8	0	0	0	105.9	H5 F9	H5-H7 PolarHBondContact O-N 3.1Å; H7-F9 HydrophobicContact CB-CD2 3.7Å; H7-F9 HydrophobicContact CB-CE2 3.71Å; H7-F9 AromaticContact CG-CE2 3.65Å; H7-F9 AromaticContact ND1-CD2 3.94Å; H7-F9 AromaticContact ND1-CE2 3.13Å; H7-F9 WeakPolarHBondContact ND1-CE2 3.48Å; H7-F9 AromaticContact ND1-CZ 3.49Å; H7-F9 WeakPolarHBondContact ND1-CZ 3.43Å; H7-F9 PolarHBondContact O-N 3.25Å
8	S	43.4	Very low	50.5	Low	96 Å²	96	115.6 Å²	115.6	67%	0.671	60%	0.604	S	S	*	*			trans	-64.2	74.3	150.4	-83.4	0	0	0	0	104.4	A6 E10	A6-S8 PolarHBondContact O-N 2.77Å; S8-E10 PolarHBondContact O-N 3.2Å
9	F	48	Very low	51	Low	165 Å²	165	110.6 Å²	110.6	72%	0.724	58%	0.582	S	S	*	*			trans	-63.1	85.8	150.1	-74.5	-75.5	0	0	0	103.8	H7 K11	H7-F9 HydrophobicContact CB-CD2 3.7Å; H7-F9 HydrophobicContact CB-CE2 3.71Å; H7-F9 AromaticContact CG-CE2 3.65Å; H7-F9 AromaticContact ND1-CD2 3.94Å; H7-F9 AromaticContact ND1-CE2 3.13Å; H7-F9 WeakPolarHBondContact ND1-CE2 3.48Å; H7-F9 AromaticContact ND1-CZ 3.49Å; H7-F9 WeakPolarHBondContact ND1-CZ 3.43Å; H7-F9 PolarHBondContact O-N 3.25Å; F9-K11 VanDerWaalsContact C-N 3.28Å; F9-K11 PolarHBondContact O-N 3.18Å
10	E	53.2	Low	51.5	Low	159 Å²	159	111.3 Å²	111.3	74%	0.743	59%	0.585	S	S	*	*			trans	-55.7	104.8	165.7	-70.4	-169.2	90.7	0	0	105.2	S8	S8-E10 PolarHBondContact O-N 3.2Å
11	K	55.8	Low	52	Low	83 Å²	83	114.3 Å²	114.3	36%	0.361	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-46.9	127.2	-179.4	-74.1	-175.5	178	-165.6	0	108.6	F9 I13 E46 R48	F9-K11 VanDerWaalsContact C-N 3.28Å; F9-K11 PolarHBondContact O-N 3.18Å; K11-I13 PolarHBondContact O-N 3.09Å; K11-E46 WeakPolarHBondContact CB-O 3.48Å; K11-E46 HydrophobicContact CD-CB 4.14Å; K11-E46 WeakPolarHBondContact CE-OE1 3.13Å; K11-E46 HydrophobicContact CG-CB 4.26Å; K11-E46 IonicContact NZ-OE1 3.51Å; K11-R48 HydrophobicContact CB-CB 4.23Å; K11-R48 HydrophobicContact CB-CG 3.65Å; K11-R48 HydrophobicContact CD-CG 4.31Å
12	P	56	Low	53.4	Low	71 Å²	71	103.3 Å²	103.3	46%	0.461	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-59.9	130.3	-170.4	22.9	-32.5	0	0	0	109.8	L14 R48	P12-L14 PolarHBondContact O-N 3.23Å; P12-R48 PolarHBondContact O-N 3.18Å
13	I	61.3	Low	54.6	Low	101 Å²	101	98.9 Å²	98.9	52%	0.518	50%	0.503	S	S	.	.	B	Isolated β-bridge	trans	-70.4	130.3	172.9	-61.9	173.6	0	0	0	107.6	K11 T15 H18 R48	K11-I13 PolarHBondContact O-N 3.09Å; I13-T15 PolarHBondContact O-N 2.97Å; I13-H18 PolarHBondContact O-ND1 3.28Å; I13-R48 WeakPolarHBondContact CA-O 3.38Å
14	L	61.8	Low	55.6	Low	2 Å²	2	99.8 Å²	99.8	1%	0.01	50%	0.499	C	S	.	.			trans	-63.8	102.5	172.7	-103.2	147.8	0	0	0	110.2	P12 H18 A19 L22 Y47 R48 F49 T53	P12-L14 PolarHBondContact O-N 3.23Å; L14-H18 HydrophobicContact CB-CB 4.47Å; L14-H18 VanDerWaalsContact CD2-C 3.46Å; L14-H18 HydrophobicContact CD2-CB 3.36Å; L14-H18 HydrophobicContact CG-CB 4.07Å; L14-A19 HydrophobicContact CD2-CB 4.31Å; L14-L22 HydrophobicContact CD1-CD1 3.67Å; L14-L22 HydrophobicContact CD2-CD1 3.26Å; L14-L22 HydrophobicContact CD2-CG 3.93Å; L14-L22 HydrophobicContact CG-CD1 4.01Å; L14-Y47 HydrophobicContact CD1-CD1 4.07Å; L14-Y47 HydrophobicContact CD1-CG 4.1Å; L14-Y47 HydrophobicContact CG-CD1 3.96Å; L14-Y47 HydrophobicContact CG-CG 4.5Å; L14-R48 PolarHBondContact N-O 2.78Å; L14-F49 HydrophobicContact CD1-CD1 3.6Å; L14-F49 HydrophobicContact CD1-CD2 4.45Å; L14-F49 HydrophobicContact CD1-CE1 3.44Å; L14-F49 VanDerWaalsContact CD1-CE1 3.44Å; L14-F49 HydrophobicContact CD1-CE2 4.28Å; L14-F49 HydrophobicContact CD1-CG 4.15Å; L14-F49 HydrophobicContact CD1-CZ 3.8Å; L14-T53 HydrophobicContact CB-CG2 3.53Å; L14-T53 WeakPolarHBondContact O-CB 3.48Å; L14-T53 WeakPolarHBondContact O-CG2 3.27Å; L14-T53 PolarHBondContact O-OG1 2.78Å
15	T	61.2	Low	56.7	Low	68 Å²	68	92.9 Å²	92.9	42%	0.417	47%	0.473	S	S	.	.			trans	-75.2	166.7	166.7	61.1	0	0	0	0	109.6	I13 S17 H18 A19	I13-T15 PolarHBondContact O-N 2.97Å; T15-S17 PolarHBondContact O-N 3.37Å; T15-H18 PolarHBondContact N-ND1 2.65Å; T15-H18 CarbonylContact O-C 3.59Å; T15-H18 WeakPolarHBondContact O-CA 3.43Å; T15-H18 WeakPolarHBondContact O-CB 3Å; T15-H18 PolarHBondContact O-N 2.84Å; T15-H18 PolarHBondContact OG1-N 2.8Å; T15-H18 PolarHBondContact OG1-ND1 2.72Å; T15-A19 PolarHBondContact O-N 2.68Å
16	D	56	Low	58	Low	109 Å²	109	86.9 Å²	86.9	58%	0.583	45%	0.445	S	S	*	.	H	α-helix	trans	-55.6	-38.2	176.5	-63	-28.2	0	0	0	111.9	H18 A19 L20	D16-H18 VanDerWaalsContact C-N 3.31Å; D16-H18 PolarHBondContact O-N 3.04Å; D16-A19 WeakPolarHBondContact O-CB 3.45Å; D16-A19 PolarHBondContact O-N 3.37Å; D16-A19 VanDerWaalsContact O-N 3.11Å; D16-L20 WeakPolarHBondContact O-CG 3.27Å; D16-L20 PolarHBondContact O-N 3.21Å
17	S	57.2	Low	58.9	Low	77 Å²	77	84 Å²	84	54%	0.538	42%	0.419	S	S	.	.	H	α-helix	trans	-60.6	-38.5	173.2	-55.1	0	0	0	0	112.7	T15 R21	T15-S17 PolarHBondContact O-N 3.37Å; S17-R21 WeakPolarHBondContact O-CG 3.4Å; S17-R21 PolarHBondContact O-N 2.91Å
18	H	62.9	Low	60.1	Low	56 Å²	56	83.7 Å²	83.7	26%	0.259	42%	0.422	S	S	.	.	H	α-helix	trans	-68.7	-41.7	172.8	-66.8	146.7	0	0	0	110.8	I13 L14 T15 D16 L20 R21 L22	I13-H18 PolarHBondContact O-ND1 3.28Å; L14-H18 HydrophobicContact CB-CB 4.47Å; L14-H18 VanDerWaalsContact CD2-C 3.46Å; L14-H18 HydrophobicContact CD2-CB 3.36Å; L14-H18 HydrophobicContact CG-CB 4.07Å; T15-H18 PolarHBondContact N-ND1 2.65Å; T15-H18 CarbonylContact O-C 3.59Å; T15-H18 WeakPolarHBondContact O-CA 3.43Å; T15-H18 WeakPolarHBondContact O-CB 3Å; T15-H18 PolarHBondContact O-N 2.84Å; T15-H18 PolarHBondContact OG1-N 2.8Å; T15-H18 PolarHBondContact OG1-ND1 2.72Å; D16-H18 VanDerWaalsContact C-N 3.31Å; D16-H18 PolarHBondContact O-N 3.04Å; H18-L20 VanDerWaalsContact C-N 3.32Å; H18-L20 PolarHBondContact O-N 3.32Å; H18-R21 WeakPolarHBondContact O-CB 3.21Å; H18-R21 PolarHBondContact O-N 2.94Å; H18-R21 VanDerWaalsContact O-N 3.14Å; H18-L22 VanDerWaalsContact O-CG 3.31Å; H18-L22 WeakPolarHBondContact O-CG 3.01Å; H18-L22 PolarHBondContact O-N 3.46Å
19	A	61.3	Low	61.1	Low	22 Å²	22	82.3 Å²	82.3	18%	0.182	40%	0.404	C	S	.	.	H	α-helix	trans	-60.8	-40.7	178.1	0	0	0	0	0	111.8	L14 T15 D16 L22 Y23	L14-A19 HydrophobicContact CD2-CB 4.31Å; T15-A19 PolarHBondContact O-N 2.68Å; D16-A19 WeakPolarHBondContact O-CB 3.45Å; D16-A19 PolarHBondContact O-N 3.37Å; D16-A19 VanDerWaalsContact O-N 3.11Å; A19-L22 CarbonylContact O-C 3.11Å; A19-L22 PolarHBondContact O-N 2.86Å; A19-Y23 WeakPolarHBondContact O-CB 3.48Å; A19-Y23 PolarHBondContact O-N 3.33Å
20	L	60.2	Low	61.8	Low	124 Å²	124	78.9 Å²	78.9	65%	0.649	40%	0.398	S	S	*	.	H	α-helix	trans	-63.8	-40.9	173.5	-71.6	173.8	0	0	0	112.6	D16 H18 L22 Y23 R24	D16-L20 WeakPolarHBondContact O-CG 3.27Å; D16-L20 PolarHBondContact O-N 3.21Å; H18-L20 VanDerWaalsContact C-N 3.32Å; H18-L20 PolarHBondContact O-N 3.32Å; L20-L22 VanDerWaalsContact C-N 3.33Å; L20-Y23 WeakPolarHBondContact O-CB 3.49Å; L20-Y23 PolarHBondContact O-N 2.88Å; L20-R24 PolarHBondContact O-N 3.36Å
21	R	62.4	Low	62.1	Low	175 Å²	175	74.3 Å²	74.3	66%	0.66	39%	0.388	S	S	*	.	H	α-helix	trans	-63.2	-41.5	173.5	-72.2	175.7	-178.3	-175.7	0.9	111.2	S17 H18 Y23 R24 V25	S17-R21 WeakPolarHBondContact O-CG 3.4Å; S17-R21 PolarHBondContact O-N 2.91Å; H18-R21 WeakPolarHBondContact O-CB 3.21Å; H18-R21 PolarHBondContact O-N 2.94Å; H18-R21 VanDerWaalsContact O-N 3.14Å; R21-Y23 VanDerWaalsContact C-N 3.32Å; R21-R24 WeakPolarHBondContact O-CB 3.24Å; R21-R24 PolarHBondContact O-N 3.49Å; R21-V25 WeakPolarHBondContact O-CG2 3.31Å; R21-V25 PolarHBondContact O-N 3.36Å; R21-V25 VanDerWaalsContact O-N 3.09Å
22	L	67.9	Low	62.3	Low	11 Å²	11	74 Å²	74	6%	0.058	41%	0.408	C	S	.	.	H	α-helix	trans	-66.3	-36.3	175.5	-66.8	-171	0	0	0	112.2	L14 H18 A19 L20 R24 V25 W26 F38 L42 Y47	L14-L22 HydrophobicContact CD1-CD1 3.67Å; L14-L22 HydrophobicContact CD2-CD1 3.26Å; L14-L22 HydrophobicContact CD2-CG 3.93Å; L14-L22 HydrophobicContact CG-CD1 4.01Å; H18-L22 VanDerWaalsContact O-CG 3.31Å; H18-L22 WeakPolarHBondContact O-CG 3.01Å; H18-L22 PolarHBondContact O-N 3.46Å; A19-L22 CarbonylContact O-C 3.11Å; A19-L22 PolarHBondContact O-N 2.86Å; L20-L22 VanDerWaalsContact C-N 3.33Å; L22-R24 VanDerWaalsContact C-N 3.3Å; L22-R24 PolarHBondContact O-N 3.31Å; L22-V25 PolarHBondContact O-N 2.89Å; L22-W26 WeakPolarHBondContact O-CB 3.46Å; L22-W26 PolarHBondContact O-N 3.23Å; L22-F38 HydrophobicContact CB-CZ 4.24Å; L22-F38 VanDerWaalsContact O-CZ 3.23Å; L22-F38 WeakPolarHBondContact O-CZ 3.33Å; L22-L42 HydrophobicContact CB-CD2 4.4Å; L22-L42 HydrophobicContact CD1-CD1 3.61Å; L22-L42 HydrophobicContact CD1-CD2 3.48Å; L22-L42 VanDerWaalsContact CD1-CD2 3.48Å; L22-L42 HydrophobicContact CD1-CG 4.07Å; L22-L42 HydrophobicContact CD2-CD2 3.34Å; L22-L42 HydrophobicContact CG-CD2 3.91Å; L22-Y47 HydrophobicContact CD2-CE2 4.26Å
23	Y	65.3	Low	62.6	Low	47 Å²	47	72.3 Å²	72.3	18%	0.184	40%	0.396	C	S	.	.	H	α-helix	trans	-56.9	-46.7	172.1	-177.7	-98.9	0	0	0	111.1	A19 L20 R21 V25 W26 C27 F60 P61 C70 D72	A19-Y23 WeakPolarHBondContact O-CB 3.48Å; A19-Y23 PolarHBondContact O-N 3.33Å; L20-Y23 WeakPolarHBondContact O-CB 3.49Å; L20-Y23 PolarHBondContact O-N 2.88Å; R21-Y23 VanDerWaalsContact C-N 3.32Å; Y23-V25 PolarHBondContact O-N 3.22Å; Y23-W26 WeakPolarHBondContact O-CB 3.33Å; Y23-W26 PolarHBondContact O-N 2.82Å; Y23-W26 VanDerWaalsContact O-N 3.14Å; Y23-C27 VanDerWaalsContact CE1-SG 3.52Å; Y23-C27 PolarHBondContact O-N 2.9Å; Y23-C27 PolarHBondContact O-SG 2.89Å; Y23-F60 AromaticContact CD2-CD1 3.67Å; Y23-F60 HydrophobicContact CD2-CD1 3.67Å; Y23-F60 AromaticContact CD2-CE1 3.66Å; Y23-F60 HydrophobicContact CD2-CE1 3.66Å; Y23-F60 HydrophobicContact CE2-CD1 4.11Å; Y23-F60 HydrophobicContact CG-CE1 4.46Å; Y23-P61 HydrophobicContact CE2-CG 3.37Å; Y23-P61 WeakPolarHBondContact OH-CG 3.45Å; Y23-C70 HydrophobicContact CE1-CB 4.2Å; Y23-C70 HydrophobicContact CE2-CB 4.32Å; Y23-C70 WeakPolarHBondContact OH-CB 3.45Å; Y23-D72 WeakPolarHBondContact OH-CA 3.38Å
24	R	63.3	Low	62.7	Low	186 Å²	186	71.5 Å²	71.5	70%	0.702	39%	0.393	S	S	*	.	H	α-helix	trans	-57.9	-47.7	174.1	-167	172.8	-175.4	168.5	2.9	112.4	L20 R21 L22 W26 C27 D28	L20-R24 PolarHBondContact O-N 3.36Å; R21-R24 WeakPolarHBondContact O-CB 3.24Å; R21-R24 PolarHBondContact O-N 3.49Å; L22-R24 VanDerWaalsContact C-N 3.3Å; L22-R24 PolarHBondContact O-N 3.31Å; R24-W26 VanDerWaalsContact C-N 3.29Å; R24-W26 PolarHBondContact O-N 3.17Å; R24-C27 WeakPolarHBondContact O-CA 3.37Å; R24-C27 WeakPolarHBondContact O-CB 3.44Å; R24-C27 PolarHBondContact O-N 3.36Å; R24-D28 PolarHBondContact O-N 3.39Å; R24-D28 VanDerWaalsContact O-OD2 3.12Å
25	V	66.7	Low	62.7	Low	52 Å²	52	74.9 Å²	74.9	32%	0.315	41%	0.408	S	S	.	.	H	α-helix	trans	-59.7	-40.8	176.4	-179.4	0	0	0	0	111.6	R21 L22 Y23 C27 D28 K29 F38	R21-V25 WeakPolarHBondContact O-CG2 3.31Å; R21-V25 PolarHBondContact O-N 3.36Å; R21-V25 VanDerWaalsContact O-N 3.09Å; L22-V25 PolarHBondContact O-N 2.89Å; Y23-V25 PolarHBondContact O-N 3.22Å; V25-C27 VanDerWaalsContact C-N 3.29Å; V25-C27 PolarHBondContact O-N 3.45Å; V25-D28 PolarHBondContact O-N 2.97Å; V25-K29 WeakPolarHBondContact O-CG 3.44Å; V25-K29 PolarHBondContact O-N 3.45Å; V25-F38 HydrophobicContact CB-CE2 4.26Å; V25-F38 HydrophobicContact CB-CZ 4.44Å; V25-F38 HydrophobicContact CG1-CE2 3.92Å
26	W	67.8	Low	62.7	Low	13 Å²	13	80.8 Å²	80.8	5%	0.049	42%	0.422	C	S	.	.	H	α-helix	trans	-60.5	-40	174.9	167.8	-108.9	0	0	0	111.7	L22 Y23 R24 K29 T33 F35 F38 F60 R63 C70	L22-W26 WeakPolarHBondContact O-CB 3.46Å; L22-W26 PolarHBondContact O-N 3.23Å; Y23-W26 WeakPolarHBondContact O-CB 3.33Å; Y23-W26 PolarHBondContact O-N 2.82Å; Y23-W26 VanDerWaalsContact O-N 3.14Å; R24-W26 VanDerWaalsContact C-N 3.29Å; R24-W26 PolarHBondContact O-N 3.17Å; W26-K29 WeakPolarHBondContact O-CB 3.4Å; W26-K29 PolarHBondContact O-N 3.12Å; W26-T33 WeakPolarHBondContact CH2-O 3.23Å; W26-T33 HydrophobicContact CZ3-CG2 4.04Å; W26-T33 WeakPolarHBondContact CZ3-O 3.43Å; W26-F35 HydrophobicContact CH2-CB 4.18Å; W26-F38 HydrophobicContact CB-CD1 4.11Å; W26-F38 HydrophobicContact CB-CD2 4.45Å; W26-F38 HydrophobicContact CB-CE1 3.68Å; W26-F38 HydrophobicContact CB-CE2 4.07Å; W26-F38 HydrophobicContact CB-CG 4.48Å; W26-F38 HydrophobicContact CB-CZ 3.67Å; W26-F38 HydrophobicContact CD2-CD1 4.2Å; W26-F38 HydrophobicContact CD2-CG 4.3Å; W26-F38 HydrophobicContact CE3-CB 3.41Å; W26-F38 VanDerWaalsContact CE3-CB 3.41Å; W26-F38 AromaticContact CE3-CD1 3.69Å; W26-F38 HydrophobicContact CE3-CD1 3.69Å; W26-F38 AromaticContact CE3-CD2 3.91Å; W26-F38 HydrophobicContact CE3-CD2 3.91Å; W26-F38 HydrophobicContact CE3-CE1 4.43Å; W26-F38 AromaticContact CE3-CG 3.39Å; W26-F38 HydrophobicContact CE3-CG 3.39Å; W26-F38 HydrophobicContact CG-CD1 4.42Å; W26-F38 HydrophobicContact CG-CE1 4.39Å; W26-F38 HydrophobicContact CZ3-CB 3.43Å; W26-F38 VanDerWaalsContact CZ3-CB 3.43Å; W26-F38 HydrophobicContact CZ3-CD1 4.43Å; W26-F38 AromaticContact CZ3-CG 3.98Å; W26-F38 HydrophobicContact CZ3-CG 3.98Å; W26-F60 HydrophobicContact CB-CD1 4.19Å; W26-F60 HydrophobicContact CB-CE1 3.94Å; W26-F60 AromaticContact CD1-CD1 3.22Å; W26-F60 AromaticContact CD1-CE1 3.86Å; W26-F60 AromaticContact CD1-CG 3.99Å; W26-F60 HydrophobicContact CD2-CD1 4.31Å; W26-F60 AromaticContact CG-CD1 3.65Å; W26-F60 HydrophobicContact CG-CD1 3.65Å; W26-F60 AromaticContact CG-CE1 3.91Å; W26-F60 HydrophobicContact CG-CE1 3.91Å; W26-F60 HydrophobicContact CG-CG 4.38Å; W26-F60 HydrophobicContact CZ2-CB 4.39Å; W26-F60 AromaticContact NE1-CD1 3.6Å; W26-F60 AromaticContact NE1-CG 3.92Å; W26-R63 PolarHBondContact O-NH1 2.88Å; W26-C70 VanDerWaalsContact CD1-SG 3.54Å
27	C	64.1	Low	63.1	Low	19 Å²	19	78.4 Å²	78.4	13%	0.128	41%	0.414	C	S	.	.	H	α-helix	trans	-70.3	-34.8	177.5	-57.1	0	0	0	0	113	Y23 R24 V25 K29 R63 C70	Y23-C27 VanDerWaalsContact CE1-SG 3.52Å; Y23-C27 PolarHBondContact O-N 2.9Å; Y23-C27 PolarHBondContact O-SG 2.89Å; R24-C27 WeakPolarHBondContact O-CA 3.37Å; R24-C27 WeakPolarHBondContact O-CB 3.44Å; R24-C27 PolarHBondContact O-N 3.36Å; V25-C27 VanDerWaalsContact C-N 3.29Å; V25-C27 PolarHBondContact O-N 3.45Å; C27-K29 VanDerWaalsContact C-N 3.25Å; C27-K29 PolarHBondContact O-N 2.92Å; C27-R63 PolarHBondContact O-NH1 3.11Å; C27-R63 PolarHBondContact O-NH2 3.41Å; C27-C70 WeakPolarHBondContact CA-SG 3.42Å; C27-C70 HydrophobicContact CB-CB 3.81Å; C27-C70 WeakPolarHBondContact CB-SG 3.48Å; C27-C70 WeakPolarHBondContact SG-CB 3.46Å; C27-C70 CovalentContact SG-SG 2.02Å; C27-C70 PolarHBondContact SG-SG 2.72Å
28	D	66.9	Low	63.6	Low	122 Å²	122	74.9 Å²	74.9	65%	0.652	39%	0.389	S	S	*	.	H	α-helix	trans	-73	-14	175.2	-68.6	-46.1	0	0	0	113.3	R24 V25	R24-D28 PolarHBondContact O-N 3.39Å; R24-D28 VanDerWaalsContact O-OD2 3.12Å; V25-D28 PolarHBondContact O-N 2.97Å
29	K	63.9	Low	63.8	Low	67 Å²	67	76 Å²	76	29%	0.291	39%	0.392	S	S	.	.	S	Bend	trans	-64.8	159.9	174	-71.5	-58.9	-179.9	-173.4	0	111.2	V25 W26 C27 T33 F38 R63	V25-K29 WeakPolarHBondContact O-CG 3.44Å; V25-K29 PolarHBondContact O-N 3.45Å; W26-K29 WeakPolarHBondContact O-CB 3.4Å; W26-K29 PolarHBondContact O-N 3.12Å; C27-K29 VanDerWaalsContact C-N 3.25Å; C27-K29 PolarHBondContact O-N 2.92Å; K29-T33 HydrophobicContact CB-CG2 4.27Å; K29-T33 HydrophobicContact CG-CG2 4.37Å; K29-F38 HydrophobicContact CG-CD2 4.48Å; K29-R63 VanDerWaalsContact C-NH1 3.31Å; K29-R63 PolarHBondContact O-NH1 2.9Å; K29-R63 PolarHBondContact O-NH2 2.78Å
30	P	61.9	Low	64	Low	92 Å²	92	78.3 Å²	78.3	60%	0.597	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-68.2	147	172.6	24.7	-31.7	0	0	0	111.6	G32 T33	P30-G32 PolarHBondContact O-N 3.42Å; P30-T33 WeakPolarHBondContact O-CB 3.47Å; P30-T33 PolarHBondContact O-N 3.23Å; P30-T33 VanDerWaalsContact O-N 3.09Å; P30-T33 PolarHBondContact O-OG1 2.99Å
31	A	60.6	Low	64.3	Low	64 Å²	64	77.1 Å²	77.1	53%	0.529	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	131.3	171.4	0	0	0	0	0	110.1
32	G	59.5	Low	64.6	Low	75 Å²	75	69 Å²	69	77%	0.773	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.3	-8.9	-173.4	0	0	0	0	0	114.7	P30 N34	P30-G32 PolarHBondContact O-N 3.42Å; G32-N34 PolarHBondContact O-N 3.02Å; G32-N34 VanDerWaalsContact O-N 3.07Å
33	T	62	Low	64.4	Low	36 Å²	36	71.6 Å²	71.6	22%	0.221	37%	0.374	C	S	.	.			trans	-60.1	115.7	164.3	-53.9	0	0	0	0	107.7	W26 K29 P30	W26-T33 WeakPolarHBondContact CH2-O 3.23Å; W26-T33 HydrophobicContact CZ3-CG2 4.04Å; W26-T33 WeakPolarHBondContact CZ3-O 3.43Å; K29-T33 HydrophobicContact CB-CG2 4.27Å; K29-T33 HydrophobicContact CG-CG2 4.37Å; P30-T33 WeakPolarHBondContact O-CB 3.47Å; P30-T33 PolarHBondContact O-N 3.23Å; P30-T33 VanDerWaalsContact O-N 3.09Å; P30-T33 PolarHBondContact O-OG1 2.99Å
34	N	63.1	Low	64.4	Low	84 Å²	84	79 Å²	79	45%	0.449	40%	0.401	S	S	.	.			trans	-76.2	150.1	179.8	70.2	68.4	0	0	0	110.3	G32 R36 S37 F38	G32-N34 PolarHBondContact O-N 3.02Å; G32-N34 VanDerWaalsContact O-N 3.07Å; N34-R36 PolarHBondContact O-N 3.23Å; N34-R36 WeakPolarHBondContact OD1-CB 3.48Å; N34-R36 PolarHBondContact OD1-N 3.45Å; N34-S37 PolarHBondContact ND2-OG 3.09Å; N34-S37 VanDerWaalsContact ND2-OG 3.1Å; N34-S37 PolarHBondContact O-N 2.8Å; N34-S37 WeakPolarHBondContact OD1-CB 3.18Å; N34-S37 PolarHBondContact OD1-N 3.04Å; N34-S37 PolarHBondContact OD1-OG 3.05Å; N34-F38 PolarHBondContact O-N 3.19Å
35	F	62.3	Low	64.5	Low	73 Å²	73	73.9 Å²	73.9	32%	0.32	39%	0.388	S	S	.	.	H	α-helix	trans	-57.7	-37.2	-177	174.1	-114.9	0	0	0	112.3	W26 S37 F38 Y39 F60	W26-F35 HydrophobicContact CH2-CB 4.18Å; F35-S37 PolarHBondContact O-N 3.14Å; F35-F38 PolarHBondContact O-N 3.27Å; F35-Y39 WeakPolarHBondContact O-CB 3.41Å; F35-Y39 PolarHBondContact O-N 2.91Å; F35-F60 HydrophobicContact CD2-CB 4.34Å; F35-F60 AromaticContact CD2-CD2 3.45Å; F35-F60 HydrophobicContact CD2-CD2 3.45Å; F35-F60 VanDerWaalsContact CD2-CD2 3.45Å; F35-F60 HydrophobicContact CD2-CE2 4.01Å; F35-F60 HydrophobicContact CD2-CG 4.12Å; F35-F60 AromaticContact CE2-CD2 3.06Å; F35-F60 HydrophobicContact CE2-CD2 3.06Å; F35-F60 AromaticContact CE2-CE2 3.24Å; F35-F60 HydrophobicContact CE2-CE2 3.24Å; F35-F60 HydrophobicContact CE2-CG 4.13Å; F35-F60 HydrophobicContact CE2-CZ 4.39Å; F35-F60 AromaticContact CZ-CD2 3.9Å; F35-F60 HydrophobicContact CZ-CD2 3.9Å; F35-F60 HydrophobicContact CZ-CE2 4.02Å
36	R	61.5	Low	64.2	Low	192 Å²	192	76.7 Å²	76.7	73%	0.725	40%	0.398	S	S	*	.	H	α-helix	trans	-61.9	-43.1	179.5	-175.2	178.5	-178.8	177.8	0.9	112.1	N34 F38 Y39 I40	N34-R36 PolarHBondContact O-N 3.23Å; N34-R36 WeakPolarHBondContact OD1-CB 3.48Å; N34-R36 PolarHBondContact OD1-N 3.45Å; R36-F38 VanDerWaalsContact C-N 3.33Å; R36-Y39 PolarHBondContact O-N 3.35Å; R36-I40 HydrophobicContact CG-CD1 4.07Å; R36-I40 VanDerWaalsContact O-CG1 3.24Å; R36-I40 WeakPolarHBondContact O-CG1 3.12Å; R36-I40 PolarHBondContact O-N 2.98Å
37	S	64.3	Low	63.9	Low	59 Å²	59	79.9 Å²	79.9	41%	0.413	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-39.3	176.6	-68.9	0	0	0	0	111.5	N34 F35 I40 Y41	N34-S37 PolarHBondContact ND2-OG 3.09Å; N34-S37 VanDerWaalsContact ND2-OG 3.1Å; N34-S37 PolarHBondContact O-N 2.8Å; N34-S37 WeakPolarHBondContact OD1-CB 3.18Å; N34-S37 PolarHBondContact OD1-N 3.04Å; N34-S37 PolarHBondContact OD1-OG 3.05Å; F35-S37 PolarHBondContact O-N 3.14Å; S37-I40 PolarHBondContact O-N 2.02Å; S37-Y41 PolarHBondContact O-N 3.41Å
38	F	68	Low	63.7	Low	3 Å²	3	85.8 Å²	85.8	1%	0.013	43%	0.43	C	S	.	.	H	α-helix	trans	-65.9	-46.2	173.8	-179.5	-110.4	0	0	0	111.7	L22 V25 W26 K29 N34 F35 R36 I40 Y41 L42 F60	L22-F38 HydrophobicContact CB-CZ 4.24Å; L22-F38 VanDerWaalsContact O-CZ 3.23Å; L22-F38 WeakPolarHBondContact O-CZ 3.33Å; V25-F38 HydrophobicContact CB-CE2 4.26Å; V25-F38 HydrophobicContact CB-CZ 4.44Å; V25-F38 HydrophobicContact CG1-CE2 3.92Å; W26-F38 HydrophobicContact CB-CD1 4.11Å; W26-F38 HydrophobicContact CB-CD2 4.45Å; W26-F38 HydrophobicContact CB-CE1 3.68Å; W26-F38 HydrophobicContact CB-CE2 4.07Å; W26-F38 HydrophobicContact CB-CG 4.48Å; W26-F38 HydrophobicContact CB-CZ 3.67Å; W26-F38 HydrophobicContact CD2-CD1 4.2Å; W26-F38 HydrophobicContact CD2-CG 4.3Å; W26-F38 HydrophobicContact CE3-CB 3.41Å; W26-F38 VanDerWaalsContact CE3-CB 3.41Å; W26-F38 AromaticContact CE3-CD1 3.69Å; W26-F38 HydrophobicContact CE3-CD1 3.69Å; W26-F38 AromaticContact CE3-CD2 3.91Å; W26-F38 HydrophobicContact CE3-CD2 3.91Å; W26-F38 HydrophobicContact CE3-CE1 4.43Å; W26-F38 AromaticContact CE3-CG 3.39Å; W26-F38 HydrophobicContact CE3-CG 3.39Å; W26-F38 HydrophobicContact CG-CD1 4.42Å; W26-F38 HydrophobicContact CG-CE1 4.39Å; W26-F38 HydrophobicContact CZ3-CB 3.43Å; W26-F38 VanDerWaalsContact CZ3-CB 3.43Å; W26-F38 HydrophobicContact CZ3-CD1 4.43Å; W26-F38 AromaticContact CZ3-CG 3.98Å; W26-F38 HydrophobicContact CZ3-CG 3.98Å; K29-F38 HydrophobicContact CG-CD2 4.48Å; N34-F38 PolarHBondContact O-N 3.19Å; F35-F38 PolarHBondContact O-N 3.27Å; R36-F38 VanDerWaalsContact C-N 3.33Å; F38-I40 VanDerWaalsContact C-N 3.32Å; F38-I40 PolarHBondContact O-N 2.84Å; F38-Y41 HydrophobicContact CD2-CD1 4.48Å; F38-Y41 HydrophobicContact CE2-CD1 4.41Å; F38-Y41 CarbonylContact O-C 3.35Å; F38-Y41 WeakPolarHBondContact O-CA 3.46Å; F38-Y41 VanDerWaalsContact O-CB 3.27Å; F38-Y41 WeakPolarHBondContact O-CB 3.42Å; F38-Y41 PolarHBondContact O-N 3.01Å; F38-L42 HydrophobicContact CD1-CD1 3.94Å; F38-L42 HydrophobicContact CD1-CG 4.31Å; F38-L42 HydrophobicContact CE1-CD1 3.53Å; F38-L42 HydrophobicContact CE1-CD2 4.14Å; F38-L42 HydrophobicContact CE1-CG 3.99Å; F38-L42 HydrophobicContact CE2-CD2 4.12Å; F38-L42 HydrophobicContact CE2-CG 4.49Å; F38-L42 HydrophobicContact CZ-CD1 4.04Å; F38-L42 HydrophobicContact CZ-CD2 3.73Å; F38-L42 HydrophobicContact CZ-CG 4.07Å; F38-L42 WeakPolarHBondContact O-CG 3.38Å; F38-L42 PolarHBondContact O-N 3.45Å; F38-F60 HydrophobicContact CE1-CE1 4.4Å; F38-F60 HydrophobicContact CE1-CZ 4.04Å
39	Y	66.9	Low	63.4	Low	79 Å²	79	82.3 Å²	82.3	31%	0.31	41%	0.409	S	S	.	.	H	α-helix	trans	-56.8	-44.7	174.9	-177.4	-98.4	0	0	0	112.2	F35 R36 Y41 L42 V43 F49 V55	F35-Y39 WeakPolarHBondContact O-CB 3.41Å; F35-Y39 PolarHBondContact O-N 2.91Å; R36-Y39 PolarHBondContact O-N 3.35Å; Y39-Y41 VanDerWaalsContact C-N 3.31Å; Y39-Y41 PolarHBondContact O-N 3.12Å; Y39-L42 WeakPolarHBondContact O-CB 2.97Å; Y39-L42 PolarHBondContact O-N 3.16Å; Y39-L42 VanDerWaalsContact O-N 3.12Å; Y39-V43 HydrophobicContact CD1-CG2 4.14Å; Y39-V43 HydrophobicContact CE1-CG2 3.66Å; Y39-V43 HydrophobicContact CE2-CG2 4.32Å; Y39-V43 WeakPolarHBondContact O-CG2 2.82Å; Y39-V43 PolarHBondContact O-N 2.85Å; Y39-F49 AromaticContact CD2-CE2 3.94Å; Y39-F49 HydrophobicContact CD2-CE2 3.94Å; Y39-F49 AromaticContact CD2-CZ 3.74Å; Y39-F49 HydrophobicContact CD2-CZ 3.74Å; Y39-F49 AromaticContact CE2-CD2 3.81Å; Y39-F49 HydrophobicContact CE2-CD2 3.81Å; Y39-F49 HydrophobicContact CE2-CE1 4.14Å; Y39-F49 AromaticContact CE2-CE2 3.2Å; Y39-F49 HydrophobicContact CE2-CE2 3.2Å; Y39-F49 AromaticContact CE2-CZ 3.39Å; Y39-F49 HydrophobicContact CE2-CZ 3.39Å; Y39-F49 AromaticContact CZ-CE2 3.81Å; Y39-V55 HydrophobicContact CD2-CG1 3.91Å; Y39-V55 HydrophobicContact CE2-CG1 3.32Å
40	I	65.1	Low	62.9	Low	71 Å²	71	80 Å²	80	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-60.8	-41.3	174.5	-69.2	164.9	0	0	0	110.9	R36 S37 F38 L42 V43 R44	R36-I40 HydrophobicContact CG-CD1 4.07Å; R36-I40 VanDerWaalsContact O-CG1 3.24Å; R36-I40 WeakPolarHBondContact O-CG1 3.12Å; R36-I40 PolarHBondContact O-N 2.98Å; S37-I40 PolarHBondContact O-N 2.02Å; F38-I40 VanDerWaalsContact C-N 3.32Å; F38-I40 PolarHBondContact O-N 2.84Å; I40-L42 VanDerWaalsContact C-N 3.31Å; I40-L42 PolarHBondContact O-N 2.83Å; I40-V43 PolarHBondContact O-N 2.78Å; I40-R44 HydrophobicContact CG2-CG 4.29Å; I40-R44 WeakPolarHBondContact O-CB 3.31Å; I40-R44 VanDerWaalsContact O-CG 3.31Å; I40-R44 WeakPolarHBondContact O-CG 3.46Å; I40-R44 PolarHBondContact O-N 3.43Å
41	Y	67.4	Low	62.6	Low	100 Å²	100	86.4 Å²	86.4	39%	0.392	42%	0.422	S	S	.	.	H	α-helix	trans	-59	-42.4	174	171.3	-91.5	0	0	0	111.5	S37 F38 Y39 R44 N45	S37-Y41 PolarHBondContact O-N 3.41Å; F38-Y41 HydrophobicContact CD2-CD1 4.48Å; F38-Y41 HydrophobicContact CE2-CD1 4.41Å; F38-Y41 CarbonylContact O-C 3.35Å; F38-Y41 WeakPolarHBondContact O-CA 3.46Å; F38-Y41 VanDerWaalsContact O-CB 3.27Å; F38-Y41 WeakPolarHBondContact O-CB 3.42Å; F38-Y41 PolarHBondContact O-N 3.01Å; Y39-Y41 VanDerWaalsContact C-N 3.31Å; Y39-Y41 PolarHBondContact O-N 3.12Å; Y41-R44 PolarHBondContact O-N 2.67Å; Y41-N45 WeakPolarHBondContact CD2-ND2 3.36Å; Y41-N45 WeakPolarHBondContact CE2-ND2 3.14Å; Y41-N45 VanDerWaalsContact CZ-ND2 3.32Å; Y41-N45 PolarHBondContact O-N 3.21Å; Y41-N45 PolarHBondContact O-ND2 3.24Å
42	L	67.5	Low	61.9	Low	4 Å²	4	88.5 Å²	88.5	2%	0.021	43%	0.433	C	S	.	.	H	α-helix	trans	-62.8	-49	176.5	-60.7	177	0	0	0	112.1	L22 F38 Y39 I40 R44 N45 E46 Y47 F49	L22-L42 HydrophobicContact CB-CD2 4.4Å; L22-L42 HydrophobicContact CD1-CD1 3.61Å; L22-L42 HydrophobicContact CD1-CD2 3.48Å; L22-L42 VanDerWaalsContact CD1-CD2 3.48Å; L22-L42 HydrophobicContact CD1-CG 4.07Å; L22-L42 HydrophobicContact CD2-CD2 3.34Å; L22-L42 HydrophobicContact CG-CD2 3.91Å; F38-L42 HydrophobicContact CD1-CD1 3.94Å; F38-L42 HydrophobicContact CD1-CG 4.31Å; F38-L42 HydrophobicContact CE1-CD1 3.53Å; F38-L42 HydrophobicContact CE1-CD2 4.14Å; F38-L42 HydrophobicContact CE1-CG 3.99Å; F38-L42 HydrophobicContact CE2-CD2 4.12Å; F38-L42 HydrophobicContact CE2-CG 4.49Å; F38-L42 HydrophobicContact CZ-CD1 4.04Å; F38-L42 HydrophobicContact CZ-CD2 3.73Å; F38-L42 HydrophobicContact CZ-CG 4.07Å; F38-L42 WeakPolarHBondContact O-CG 3.38Å; F38-L42 PolarHBondContact O-N 3.45Å; Y39-L42 WeakPolarHBondContact O-CB 2.97Å; Y39-L42 PolarHBondContact O-N 3.16Å; Y39-L42 VanDerWaalsContact O-N 3.12Å; I40-L42 VanDerWaalsContact C-N 3.31Å; I40-L42 PolarHBondContact O-N 2.83Å; L42-R44 VanDerWaalsContact C-N 3.28Å; L42-R44 PolarHBondContact O-N 2.7Å; L42-N45 CarbonylContact O-C 3.59Å; L42-N45 PolarHBondContact O-N 2.85Å; L42-N45 VanDerWaalsContact O-N 3.16Å; L42-E46 PolarHBondContact O-N 3.5Å; L42-Y47 HydrophobicContact CB-CD2 4.49Å; L42-Y47 HydrophobicContact CD2-CD2 4.42Å; L42-Y47 WeakPolarHBondContact O-CD2 3.18Å; L42-Y47 PolarHBondContact O-N 3.25Å; L42-F49 HydrophobicContact CB-CE2 4.49Å; L42-F49 HydrophobicContact CB-CZ 4.13Å; L42-F49 HydrophobicContact CD1-CE1 4.42Å; L42-F49 HydrophobicContact CD1-CZ 3.79Å
43	V	64.8	Low	61.5	Low	65 Å²	65	85.2 Å²	85.2	39%	0.394	40%	0.398	S	S	.	.	H	α-helix	trans	-63.1	-37.1	179.7	175.8	0	0	0	0	111.3	Y39 I40 E46 F49	Y39-V43 HydrophobicContact CD1-CG2 4.14Å; Y39-V43 HydrophobicContact CE1-CG2 3.66Å; Y39-V43 HydrophobicContact CE2-CG2 4.32Å; Y39-V43 WeakPolarHBondContact O-CG2 2.82Å; Y39-V43 PolarHBondContact O-N 2.85Å; I40-V43 PolarHBondContact O-N 2.78Å; V43-E46 PolarHBondContact O-N 3.28Å; V43-F49 HydrophobicContact CG2-CE2 4.05Å
44	R	65.1	Low	60.8	Low	204 Å²	204	86.9 Å²	86.9	77%	0.77	41%	0.409	S	S	*	.	H	α-helix	trans	-67.9	-33.1	175.5	-77.8	-177.3	173.4	-174.1	-2	113.2	I40 Y41 L42 E46	I40-R44 HydrophobicContact CG2-CG 4.29Å; I40-R44 WeakPolarHBondContact O-CB 3.31Å; I40-R44 VanDerWaalsContact O-CG 3.31Å; I40-R44 WeakPolarHBondContact O-CG 3.46Å; I40-R44 PolarHBondContact O-N 3.43Å; Y41-R44 PolarHBondContact O-N 2.67Å; L42-R44 VanDerWaalsContact C-N 3.28Å; L42-R44 PolarHBondContact O-N 2.7Å; R44-E46 PolarHBondContact O-N 2.81Å
45	N	63.9	Low	60.1	Low	78 Å²	78	85.6 Å²	85.6	42%	0.417	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	25.9	172.4	-72.3	-86.9	0	0	0	112.4	Y41 L42 Y47	Y41-N45 WeakPolarHBondContact CD2-ND2 3.36Å; Y41-N45 WeakPolarHBondContact CE2-ND2 3.14Å; Y41-N45 VanDerWaalsContact CZ-ND2 3.32Å; Y41-N45 PolarHBondContact O-N 3.21Å; Y41-N45 PolarHBondContact O-ND2 3.24Å; L42-N45 CarbonylContact O-C 3.59Å; L42-N45 PolarHBondContact O-N 2.85Å; L42-N45 VanDerWaalsContact O-N 3.16Å; N45-Y47 VanDerWaalsContact C-N 3.29Å; N45-Y47 HydrophobicContact CB-CD2 4.05Å; N45-Y47 HydrophobicContact CB-CE2 3.97Å; N45-Y47 WeakPolarHBondContact O-CD2 3.38Å; N45-Y47 PolarHBondContact O-N 3.45Å
46	E	61.1	Low	59.3	Low	111 Å²	111	85.1 Å²	85.1	52%	0.519	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	22.8	169.3	-51.2	-158.6	93.2	0	0	116.3	K11 L42 V43 R44 R48	K11-E46 WeakPolarHBondContact CB-O 3.48Å; K11-E46 HydrophobicContact CD-CB 4.14Å; K11-E46 WeakPolarHBondContact CE-OE1 3.13Å; K11-E46 HydrophobicContact CG-CB 4.26Å; K11-E46 IonicContact NZ-OE1 3.51Å; L42-E46 PolarHBondContact O-N 3.5Å; V43-E46 PolarHBondContact O-N 3.28Å; R44-E46 PolarHBondContact O-N 2.81Å; E46-R48 PolarHBondContact O-N 3.14Å
47	Y	62.6	Low	58.4	Low	79 Å²	79	79.9 Å²	79.9	31%	0.31	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-77	126.8	172.2	-70	-78.9	0	0	0	111.4	L14 L22 L42 N45	L14-Y47 HydrophobicContact CD1-CD1 4.07Å; L14-Y47 HydrophobicContact CD1-CG 4.1Å; L14-Y47 HydrophobicContact CG-CD1 3.96Å; L14-Y47 HydrophobicContact CG-CG 4.5Å; L22-Y47 HydrophobicContact CD2-CE2 4.26Å; L42-Y47 HydrophobicContact CB-CD2 4.49Å; L42-Y47 HydrophobicContact CD2-CD2 4.42Å; L42-Y47 WeakPolarHBondContact O-CD2 3.18Å; L42-Y47 PolarHBondContact O-N 3.25Å; N45-Y47 VanDerWaalsContact C-N 3.29Å; N45-Y47 HydrophobicContact CB-CD2 4.05Å; N45-Y47 HydrophobicContact CB-CE2 3.97Å; N45-Y47 WeakPolarHBondContact O-CD2 3.38Å; N45-Y47 PolarHBondContact O-N 3.45Å
48	R	58.8	Low	57.2	Low	143 Å²	143	79.6 Å²	79.6	54%	0.54	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-96.1	130.1	167.1	-89.8	-172.7	161.9	174.6	-11.1	109.6	K11 P12 I13 L14 E46	K11-R48 HydrophobicContact CB-CB 4.23Å; K11-R48 HydrophobicContact CB-CG 3.65Å; K11-R48 HydrophobicContact CD-CG 4.31Å; P12-R48 PolarHBondContact O-N 3.18Å; I13-R48 WeakPolarHBondContact CA-O 3.38Å; L14-R48 PolarHBondContact N-O 2.78Å; E46-R48 PolarHBondContact O-N 3.14Å
49	F	60.1	Low	56.2	Low	50 Å²	50	87.2 Å²	87.2	22%	0.219	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-87.8	118.9	170.3	-61.5	-92.4	0	0	0	108.7	L14 Y39 L42 V43 T53 V55	L14-F49 HydrophobicContact CD1-CD1 3.6Å; L14-F49 HydrophobicContact CD1-CD2 4.45Å; L14-F49 HydrophobicContact CD1-CE1 3.44Å; L14-F49 VanDerWaalsContact CD1-CE1 3.44Å; L14-F49 HydrophobicContact CD1-CE2 4.28Å; L14-F49 HydrophobicContact CD1-CG 4.15Å; L14-F49 HydrophobicContact CD1-CZ 3.8Å; Y39-F49 AromaticContact CD2-CE2 3.94Å; Y39-F49 HydrophobicContact CD2-CE2 3.94Å; Y39-F49 AromaticContact CD2-CZ 3.74Å; Y39-F49 HydrophobicContact CD2-CZ 3.74Å; Y39-F49 AromaticContact CE2-CD2 3.81Å; Y39-F49 HydrophobicContact CE2-CD2 3.81Å; Y39-F49 HydrophobicContact CE2-CE1 4.14Å; Y39-F49 AromaticContact CE2-CE2 3.2Å; Y39-F49 HydrophobicContact CE2-CE2 3.2Å; Y39-F49 AromaticContact CE2-CZ 3.39Å; Y39-F49 HydrophobicContact CE2-CZ 3.39Å; Y39-F49 AromaticContact CZ-CE2 3.81Å; L42-F49 HydrophobicContact CB-CE2 4.49Å; L42-F49 HydrophobicContact CB-CZ 4.13Å; L42-F49 HydrophobicContact CD1-CE1 4.42Å; L42-F49 HydrophobicContact CD1-CZ 3.79Å; V43-F49 HydrophobicContact CG2-CE2 4.05Å; F49-T53 HydrophobicContact CD1-CG2 3.94Å; F49-V55 HydrophobicContact CB-CG2 3.28Å; F49-V55 HydrophobicContact CD1-CB 4.05Å; F49-V55 HydrophobicContact CD1-CG1 3.94Å; F49-V55 HydrophobicContact CD1-CG2 3.39Å; F49-V55 HydrophobicContact CD2-CG2 4.28Å; F49-V55 HydrophobicContact CE1-CB 4.48Å; F49-V55 HydrophobicContact CE1-CG1 3.94Å; F49-V55 HydrophobicContact CE1-CG2 4.25Å; F49-V55 HydrophobicContact CG-CB 4.39Å; F49-V55 HydrophobicContact CG-CG1 4.29Å; F49-V55 HydrophobicContact CG-CG2 3.39Å; F49-V55 HydrophobicContact CZ-CG1 4.35Å
50	G	53.9	Low	55.4	Low	17 Å²	17	84.3 Å²	84.3	18%	0.175	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-73.3	165.7	173.5	0	0	0	0	0	110.9	S52 T53	G50-S52 PolarHBondContact O-N 3.14Å; G50-T53 PolarHBondContact N-OG1 3.27Å; G50-T53 WeakPolarHBondContact O-CB 3.49Å; G50-T53 PolarHBondContact O-N 2.69Å
51	K	55.4	Low	54.7	Low	227 Å²	227	82.5 Å²	82.5	99%	0.987	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-33.1	175.6	-70.9	-174.9	178.2	-178.3	0	112.7
52	S	46.6	Very low	53.9	Low	108 Å²	108	82 Å²	82	76%	0.755	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.5	178.4	40.9	0	0	0	0	113.5	G50 P54	G50-S52 PolarHBondContact O-N 3.14Å; S52-P54 WeakPolarHBondContact O-CD 3.37Å
53	T	51.1	Low	53.2	Low	7 Å²	7	84 Å²	84	4%	0.043	45%	0.45	C	S	.	.	S	Bend	trans	-73.9	105.5	162	-42.4	0	0	0	0	104.6	L14 F49 G50 V55	L14-T53 HydrophobicContact CB-CG2 3.53Å; L14-T53 WeakPolarHBondContact O-CB 3.48Å; L14-T53 WeakPolarHBondContact O-CG2 3.27Å; L14-T53 PolarHBondContact O-OG1 2.78Å; F49-T53 HydrophobicContact CD1-CG2 3.94Å; G50-T53 PolarHBondContact N-OG1 3.27Å; G50-T53 WeakPolarHBondContact O-CB 3.49Å; G50-T53 PolarHBondContact O-N 2.69Å; T53-V55 VanDerWaalsContact C-N 3.3Å; T53-V55 PolarHBondContact O-N 2.85Å
54	P	46.8	Very low	52.4	Low	71 Å²	71	85.9 Å²	85.9	46%	0.461	46%	0.455	S	S	.	.			trans	-56	111.3	163.5	25.9	-32	0	0	0	104.3	S52 L56	S52-P54 WeakPolarHBondContact O-CD 3.37Å; P54-L56 PolarHBondContact O-N 3.25Å
55	V	48.8	Very low	51.3	Low	56 Å²	56	88 Å²	88	34%	0.339	46%	0.463	S	S	.	.			trans	-70.7	64.6	161.7	-171.9	0	0	0	0	104.8	Y39 F49 T53 G57	Y39-V55 HydrophobicContact CD2-CG1 3.91Å; Y39-V55 HydrophobicContact CE2-CG1 3.32Å; F49-V55 HydrophobicContact CB-CG2 3.28Å; F49-V55 HydrophobicContact CD1-CB 4.05Å; F49-V55 HydrophobicContact CD1-CG1 3.94Å; F49-V55 HydrophobicContact CD1-CG2 3.39Å; F49-V55 HydrophobicContact CD2-CG2 4.28Å; F49-V55 HydrophobicContact CE1-CB 4.48Å; F49-V55 HydrophobicContact CE1-CG1 3.94Å; F49-V55 HydrophobicContact CE1-CG2 4.25Å; F49-V55 HydrophobicContact CG-CB 4.39Å; F49-V55 HydrophobicContact CG-CG1 4.29Å; F49-V55 HydrophobicContact CG-CG2 3.39Å; F49-V55 HydrophobicContact CZ-CG1 4.35Å; T53-V55 VanDerWaalsContact C-N 3.3Å; T53-V55 PolarHBondContact O-N 2.85Å; V55-G57 PolarHBondContact O-N 2.91Å
56	L	45	Very low	50.5	Low	63 Å²	63	86.9 Å²	86.9	33%	0.33	47%	0.47	S	S	.	.			trans	-4.2	79.9	-162.6	-74.2	161.6	0	0	0	109.9	P54 G58 F60	P54-L56 PolarHBondContact O-N 3.25Å; L56-G58 CarbonylContact C-O 3.47Å; L56-G58 VanDerWaalsContact CB-O 3.27Å; L56-G58 WeakPolarHBondContact CB-O 3.42Å; L56-G58 CarbonylContact O-C 3.57Å; L56-G58 PolarHBondContact O-N 3.29Å; L56-G58 VanDerWaalsContact O-N 3.14Å; L56-F60 HydrophobicContact CB-CD2 4.25Å; L56-F60 HydrophobicContact CB-CE2 4.16Å; L56-F60 HydrophobicContact CD1-CD1 4.39Å; L56-F60 HydrophobicContact CD1-CD2 3.94Å; L56-F60 HydrophobicContact CD1-CE1 3.99Å; L56-F60 HydrophobicContact CD1-CE2 3.47Å; L56-F60 VanDerWaalsContact CD1-CE2 3.47Å; L56-F60 HydrophobicContact CD1-CG 4.41Å; L56-F60 HydrophobicContact CD1-CZ 3.53Å; L56-F60 HydrophobicContact CG-CE2 4.4Å
57	G	42.2	Very low	49.7	Very low	83 Å²	83	86.8 Å²	86.8	86%	0.856	47%	0.473	S	S	*	.	S	Bend	trans	-58.9	-20.4	171.5	0	0	0	0	0	109.6	V55 Q59	V55-G57 PolarHBondContact O-N 2.91Å; G57-Q59 PolarHBondContact O-N 3.48Å
58	G	41.1	Very low	49	Very low	52 Å²	52	85.1 Å²	85.1	54%	0.536	48%	0.48	S	S	.	.	S	Bend	trans	-72.1	98.9	152.6	0	0	0	0	0	109.7	L56 F60	L56-G58 CarbonylContact C-O 3.47Å; L56-G58 VanDerWaalsContact CB-O 3.27Å; L56-G58 WeakPolarHBondContact CB-O 3.42Å; L56-G58 CarbonylContact O-C 3.57Å; L56-G58 PolarHBondContact O-N 3.29Å; L56-G58 VanDerWaalsContact O-N 3.14Å; G58-F60 PolarHBondContact O-N 3.01Å; G58-F60 VanDerWaalsContact O-N 3.12Å
59	Q	45.8	Very low	48.5	Very low	163 Å²	163	87.3 Å²	87.3	76%	0.762	49%	0.49	S	S	*	.			trans	-5.9	109.8	149.7	-175.8	172.4	56.7	0	0	111.9	G57	G57-Q59 PolarHBondContact O-N 3.48Å
60	F	50.3	Low	48	Very low	19 Å²	19	85.5 Å²	85.5	8%	0.083	48%	0.483	C	S	.	.			trans	-44.5	134.5	170.1	-94.2	-102	0	0	0	107.7	Y23 W26 F35 F38 L56 G58	Y23-F60 AromaticContact CD2-CD1 3.67Å; Y23-F60 HydrophobicContact CD2-CD1 3.67Å; Y23-F60 AromaticContact CD2-CE1 3.66Å; Y23-F60 HydrophobicContact CD2-CE1 3.66Å; Y23-F60 HydrophobicContact CE2-CD1 4.11Å; Y23-F60 HydrophobicContact CG-CE1 4.46Å; W26-F60 HydrophobicContact CB-CD1 4.19Å; W26-F60 HydrophobicContact CB-CE1 3.94Å; W26-F60 AromaticContact CD1-CD1 3.22Å; W26-F60 AromaticContact CD1-CE1 3.86Å; W26-F60 AromaticContact CD1-CG 3.99Å; W26-F60 HydrophobicContact CD2-CD1 4.31Å; W26-F60 AromaticContact CG-CD1 3.65Å; W26-F60 HydrophobicContact CG-CD1 3.65Å; W26-F60 AromaticContact CG-CE1 3.91Å; W26-F60 HydrophobicContact CG-CE1 3.91Å; W26-F60 HydrophobicContact CG-CG 4.38Å; W26-F60 HydrophobicContact CZ2-CB 4.39Å; W26-F60 AromaticContact NE1-CD1 3.6Å; W26-F60 AromaticContact NE1-CG 3.92Å; F35-F60 HydrophobicContact CD2-CB 4.34Å; F35-F60 AromaticContact CD2-CD2 3.45Å; F35-F60 HydrophobicContact CD2-CD2 3.45Å; F35-F60 VanDerWaalsContact CD2-CD2 3.45Å; F35-F60 HydrophobicContact CD2-CE2 4.01Å; F35-F60 HydrophobicContact CD2-CG 4.12Å; F35-F60 AromaticContact CE2-CD2 3.06Å; F35-F60 HydrophobicContact CE2-CD2 3.06Å; F35-F60 AromaticContact CE2-CE2 3.24Å; F35-F60 HydrophobicContact CE2-CE2 3.24Å; F35-F60 HydrophobicContact CE2-CG 4.13Å; F35-F60 HydrophobicContact CE2-CZ 4.39Å; F35-F60 AromaticContact CZ-CD2 3.9Å; F35-F60 HydrophobicContact CZ-CD2 3.9Å; F35-F60 HydrophobicContact CZ-CE2 4.02Å; F38-F60 HydrophobicContact CE1-CE1 4.4Å; F38-F60 HydrophobicContact CE1-CZ 4.04Å; L56-F60 HydrophobicContact CB-CD2 4.25Å; L56-F60 HydrophobicContact CB-CE2 4.16Å; L56-F60 HydrophobicContact CD1-CD1 4.39Å; L56-F60 HydrophobicContact CD1-CD2 3.94Å; L56-F60 HydrophobicContact CD1-CE1 3.99Å; L56-F60 HydrophobicContact CD1-CE2 3.47Å; L56-F60 VanDerWaalsContact CD1-CE2 3.47Å; L56-F60 HydrophobicContact CD1-CG 4.41Å; L56-F60 HydrophobicContact CD1-CZ 3.53Å; L56-F60 HydrophobicContact CG-CE2 4.4Å; G58-F60 PolarHBondContact O-N 3.01Å; G58-F60 VanDerWaalsContact O-N 3.12Å
61	P	51	Low	47.8	Very low	33 Å²	33	86.7 Å²	86.7	21%	0.214	49%	0.487	C	S	.	.			trans	-48.4	133.8	-171.4	16.5	-30.5	0	0	0	109.5	Y23 R63	Y23-P61 HydrophobicContact CE2-CG 3.37Å; Y23-P61 WeakPolarHBondContact OH-CG 3.45Å; P61-R63 PolarHBondContact O-N 3.46Å
62	P	51.1	Low	47.3	Very low	89 Å²	89	79.9 Å²	79.9	58%	0.578	46%	0.461	S	S	*	.			trans	-55.7	127.2	-175.5	22.7	-32.4	0	0	0	108.5	E64	P62-E64 PolarHBondContact O-N 3.22Å
63	R	52.5	Low	47.3	Very low	45 Å²	45	78 Å²	78	17%	0.17	46%	0.46	C	S	.	.			trans	-71.8	101.9	168.6	-65.9	-174.6	74.8	152.9	-0.4	106.6	W26 C27 K29 P61 R65 G68	W26-R63 PolarHBondContact O-NH1 2.88Å; C27-R63 PolarHBondContact O-NH1 3.11Å; C27-R63 PolarHBondContact O-NH2 3.41Å; K29-R63 VanDerWaalsContact C-NH1 3.31Å; K29-R63 PolarHBondContact O-NH1 2.9Å; K29-R63 PolarHBondContact O-NH2 2.78Å; P61-R63 PolarHBondContact O-N 3.46Å; R63-R65 PolarHBondContact O-N 3.33Å; R63-G68 PolarHBondContact NH2-O 3.4Å
64	E	47.8	Very low	47	Very low	106 Å²	106	82.9 Å²	82.9	50%	0.495	49%	0.489	S	S	.	.			trans	-56.8	129.9	166.7	-69.6	-160.1	133.1	0	0	107.8	P62 G66 K77	P62-E64 PolarHBondContact O-N 3.22Å; E64-G66 PolarHBondContact O-N 2.88Å; E64-K77 WeakPolarHBondContact OE2-CE 2.93Å; E64-K77 IonicContact OE2-NZ 2.72Å; E64-K77 PolarHBondContact OE2-NZ 3.04Å
65	R	42.4	Very low	46.8	Very low	247 Å²	247	83.2 Å²	83.2	93%	0.932	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	19.2	-174.2	-157.6	-179.8	175.2	174.4	-1.8	113.3	R63	R63-R65 PolarHBondContact O-N 3.33Å
66	G	46	Very low	46.5	Very low	55 Å²	55	86.2 Å²	86.2	57%	0.567	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-51.7	-171	0	0	0	0	0	114.7	E64	E64-G66 PolarHBondContact O-N 2.88Å
67	D	43.7	Very low	46.4	Very low	109 Å²	109	88.7 Å²	88.7	58%	0.583	52%	0.517	S	S	*	.	S	Bend	trans	-130.9	14.2	-156.2	-62.7	-67.5	0	0	0	115.1	Y69	D67-Y69 WeakPolarHBondContact O-CD2 3.36Å; D67-Y69 WeakPolarHBondContact O-CE2 3.39Å; D67-Y69 PolarHBondContact O-N 2.93Å
68	G	47.9	Very low	46.3	Very low	44 Å²	44	90.9 Å²	90.9	45%	0.454	51%	0.514	S	S	.	.	S	Bend	trans	73.4	-21	171.6	0	0	0	0	0	116	R63	R63-G68 PolarHBondContact NH2-O 3.4Å
69	Y	48.1	Very low	46.3	Very low	189 Å²	189	97 Å²	97	74%	0.741	53%	0.529	S	S	*	.	S	Bend	trans	-92.5	146.4	178.1	-59	-76.2	0	0	0	111.9	D67 T71	D67-Y69 WeakPolarHBondContact O-CD2 3.36Å; D67-Y69 WeakPolarHBondContact O-CE2 3.39Å; D67-Y69 PolarHBondContact O-N 2.93Å; Y69-T71 PolarHBondContact O-N 2.89Å
70	C	50.5	Low	45.8	Very low	12 Å²	12	95 Å²	95	8%	0.081	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-69.5	122.1	157.5	-52.1	0	0	0	0	106.9	Y23 W26 C27	Y23-C70 HydrophobicContact CE1-CB 4.2Å; Y23-C70 HydrophobicContact CE2-CB 4.32Å; Y23-C70 WeakPolarHBondContact OH-CB 3.45Å; W26-C70 VanDerWaalsContact CD1-SG 3.54Å; C27-C70 WeakPolarHBondContact CA-SG 3.42Å; C27-C70 HydrophobicContact CB-CB 3.81Å; C27-C70 WeakPolarHBondContact CB-SG 3.48Å; C27-C70 WeakPolarHBondContact SG-CB 3.46Å; C27-C70 CovalentContact SG-SG 2.02Å; C27-C70 PolarHBondContact SG-SG 2.72Å
71	T	49.5	Very low	45.5	Very low	42 Å²	42	106 Å²	106	26%	0.258	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-78.8	122.5	160.9	52.1	0	0	0	0	106.4	Y69 G73	Y69-T71 PolarHBondContact O-N 2.89Å; T71-G73 PolarHBondContact O-N 2.78Å
72	D	44.5	Very low	45.2	Very low	84 Å²	84	109.7 Å²	109.7	45%	0.449	60%	0.602	S	S	.	*			trans	-70.2	35	173.8	43.6	-84.8	0	0	0	112.1	Y23 T74 T75	Y23-D72 WeakPolarHBondContact OH-CA 3.38Å; D72-T74 PolarHBondContact O-N 2.8Å; D72-T74 PolarHBondContact OD2-OG1 2.7Å; D72-T75 PolarHBondContact OD1-OG1 3.26Å
73	G	48	Very low	44.9	Very low	70 Å²	70	110.7 Å²	110.7	72%	0.722	60%	0.603	S	S	*	*	S	Bend	trans	59.9	-15.4	179.7	0	0	0	0	0	116.2	T71	T71-G73 PolarHBondContact O-N 2.78Å
74	T	43.7	Very low	44.5	Very low	108 Å²	108	114.4 Å²	114.4	66%	0.663	63%	0.627	S	S	*	*			trans	-103.8	-12.7	-179.2	72	0	0	0	0	112.4	D72 T76	D72-T74 PolarHBondContact O-N 2.8Å; D72-T74 PolarHBondContact OD2-OG1 2.7Å; T74-T76 PolarHBondContact O-N 3.42Å; T74-T76 PolarHBondContact O-OG1 2.8Å
75	T	42	Very low	44.3	Very low	78 Å²	78	114.9 Å²	114.9	48%	0.479	64%	0.635	S	S	.	*			trans	-73	75.8	167.4	-25.5	0	0	0	0	109	D72 K77	D72-T75 PolarHBondContact OD1-OG1 3.26Å; T75-K77 PolarHBondContact O-N 3.39Å
76	T	43.5	Very low	44.4	Very low	119 Å²	119	106.6 Å²	106.6	73%	0.73	62%	0.616	S	S	*	*			trans	-52.7	113.2	164.2	-38	0	0	0	0	106	T74 T78	T74-T76 PolarHBondContact O-N 3.42Å; T74-T76 PolarHBondContact O-OG1 2.8Å; T76-T78 PolarHBondContact O-N 3.21Å
77	K	43	Very low	44.3	Very low	116 Å²	116	110.1 Å²	110.1	50%	0.504	62%	0.62	S	S	.	*			trans	-51.7	105.4	170.4	-82	174.4	164.5	165.5	0	106.8	E64 T75 Q79	E64-K77 WeakPolarHBondContact OE2-CE 2.93Å; E64-K77 IonicContact OE2-NZ 2.72Å; E64-K77 PolarHBondContact OE2-NZ 3.04Å; T75-K77 PolarHBondContact O-N 3.39Å; K77-Q79 PolarHBondContact O-N 3.28Å
78	T	40.5	Very low	44.4	Very low	129 Å²	129	110.1 Å²	110.1	79%	0.791	62%	0.622	S	S	*	*			trans	-62.9	97.9	165.7	-46.4	0	0	0	0	105	T76 S80	T76-T78 PolarHBondContact O-N 3.21Å; T78-S80 VanDerWaalsContact C-N 3.25Å; T78-S80 PolarHBondContact O-N 2.9Å
79	Q	40	Very low	44.1	Very low	181 Å²	181	115.2 Å²	115.2	85%	0.846	64%	0.635	S	S	*	*			trans	-64.2	95	169.8	-73	-179.4	-6.4	0	0	106	K77 H81	K77-Q79 PolarHBondContact O-N 3.28Å; Q79-H81 PolarHBondContact O-N 2.61Å
80	S	36.8	Very low	43.7	Very low	119 Å²	119	109.1 Å²	109.1	83%	0.832	63%	0.626	S	S	*	*			trans	-65.9	112.3	160.1	-73.6	0	0	0	0	106.7	T78	T78-S80 VanDerWaalsContact C-N 3.25Å; T78-S80 PolarHBondContact O-N 2.9Å
81	H	43.1	Very low	43.1	Very low	251 Å²	251	117.9 Å²	117.9	100%	1.162	68%	0.676	S	S	*	*			trans	-112.2	0	162.1	-165.1	-59.4	0	0	0	108.4	Q79	Q79-H81 PolarHBondContact O-N 2.61Å

Retrieved 81 of 81 residues in 158.6 ms (Link to these results)

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