A0A5K4FAN8_SCHMA Loading...

Microviridin/marinostatin family tricyclic proteinase inhibitor AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FAN8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 105 aa.

						>A0A5K4FAN8_SCHMA|A0A5K4FAN8
MKMSKIPFKNDGSFMELFKQMQAEQERVSIEKPVIPNVVKVENTDEFESKQCKTESETVPYFQLFPMIPRFWWQSNRWSYVFLVCPTVSAKQKQRSLRIAYSIGS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	54.3	Low	73.4	Confident	233 Å²	233	163.4 Å²	163.4	100%	1.148	82%	0.815	S	S	*	*				0	111.9	0	-72.5	168.4	157.1	0	0	108.4	M3	M1-M3 PolarHBondContact O-N 3.39Å
2	K	69.6	Low	74.6	Confident	217 Å²	217	151.7 Å²	151.7	94%	0.943	77%	0.767	S	S	*	*			trans	-83.5	103.7	174.7	-75.6	177.3	179.7	169.2	0	107.6	S4	K2-S4 PolarHBondContact O-N 3.01Å
3	M	72.4	Confident	75.4	Confident	171 Å²	171	144.1 Å²	144.1	84%	0.842	74%	0.736	S	S	*	*			trans	-70	110.4	173	-64.2	-69.1	-85.1	0	0	107.6	M1 K5	M1-M3 PolarHBondContact O-N 3.39Å; M3-K5 PolarHBondContact O-N 3.17Å
4	S	74.8	Confident	76.2	Confident	109 Å²	109	145.9 Å²	145.9	76%	0.762	74%	0.737	S	S	*	*			trans	-58.2	106.3	171	47.9	0	0	0	0	108.3	K2 I6	K2-S4 PolarHBondContact O-N 3.01Å; S4-I6 PolarHBondContact O-N 3.05Å
5	K	77.8	Confident	77.1	Confident	197 Å²	197	143.1 Å²	143.1	86%	0.857	72%	0.722	S	S	*	*			trans	-64	107.8	178.2	-167.8	171.5	-173.7	176	0	107.5	M3	M3-K5 PolarHBondContact O-N 3.17Å
6	I	77.5	Confident	78	Confident	122 Å²	122	142.4 Å²	142.4	63%	0.626	72%	0.715	S	S	*	*			trans	-58.1	126.6	174.8	-59.2	173.1	0	0	0	106.7	S4 F8	S4-I6 PolarHBondContact O-N 3.05Å; I6-F8 HydrophobicContact CG2-CB 4.02Å; I6-F8 HydrophobicContact CG2-CD2 3.56Å; I6-F8 HydrophobicContact CG2-CG 4.26Å; I6-F8 PolarHBondContact O-N 3.29Å
7	P	74.3	Confident	78.6	Confident	113 Å²	113	139.4 Å²	139.4	73%	0.734	70%	0.701	S	S	*	*	S	Bend	trans	-71.7	-8.6	-175	29	-35.2	0	0	0	112.9	K9	P7-K9 PolarHBondContact O-N 2.81Å
8	F	71.5	Confident	79.3	Confident	176 Å²	176	136.9 Å²	136.9	77%	0.772	69%	0.686	S	S	*	*			trans	-77.7	101.8	172.2	-56.7	-69.3	0	0	0	109.4	I6	I6-F8 HydrophobicContact CG2-CB 4.02Å; I6-F8 HydrophobicContact CG2-CD2 3.56Å; I6-F8 HydrophobicContact CG2-CG 4.26Å; I6-F8 PolarHBondContact O-N 3.29Å
9	K	73.6	Confident	80	Confident	176 Å²	176	136.5 Å²	136.5	77%	0.765	68%	0.679	S	S	*	*			trans	-69.9	127.9	161.7	-66.4	177.1	-176.8	174.5	0	106.6	P7 D11	P7-K9 PolarHBondContact O-N 2.81Å; K9-D11 HydrophobicContact CB-CB 4.49Å; K9-D11 PolarHBondContact O-N 2.89Å
10	N	80	Confident	80.5	Confident	165 Å²	165	136.1 Å²	136.1	88%	0.882	68%	0.675	S	S	*	*			trans	-75.8	73.4	166.9	-176	13.5	0	0	0	107.9
11	D	81.5	Confident	80.9	Confident	118 Å²	118	134.9 Å²	134.9	63%	0.631	67%	0.669	S	S	*	*			trans	-83.1	-0.8	-179.9	59.1	-1.2	0	0	0	112.7	K9 S13	K9-D11 HydrophobicContact CB-CB 4.49Å; K9-D11 PolarHBondContact O-N 2.89Å; D11-S13 PolarHBondContact O-N 2.99Å; D11-S13 VanDerWaalsContact OD1-CB 3.28Å; D11-S13 WeakPolarHBondContact OD1-CB 3.07Å; D11-S13 PolarHBondContact OD1-N 3.17Å
12	G	87.7	Confident	82.5	Confident	23 Å²	23	128.1 Å²	128.1	24%	0.237	63%	0.634	C	S	.	*	S	Bend	trans	78.5	1.4	-177.8	0	0	0	0	0	114	F14 M15 E16	G12-F14 PolarHBondContact O-N 3.28Å; G12-M15 WeakPolarHBondContact O-CA 3.33Å; G12-M15 VanDerWaalsContact O-CB 3.32Å; G12-M15 WeakPolarHBondContact O-CB 3.35Å; G12-M15 PolarHBondContact O-N 3.02Å; G12-E16 PolarHBondContact O-N 2.9Å
13	S	84.9	Confident	83.3	Confident	53 Å²	53	119.9 Å²	119.9	37%	0.371	61%	0.607	S	S	.	*	H	α-helix	trans	-56.8	-38.4	-178.9	177.4	0	0	0	0	112.2	D11 M15 E16 L17	D11-S13 PolarHBondContact O-N 2.99Å; D11-S13 VanDerWaalsContact OD1-CB 3.28Å; D11-S13 WeakPolarHBondContact OD1-CB 3.07Å; D11-S13 PolarHBondContact OD1-N 3.17Å; S13-M15 VanDerWaalsContact C-N 3.31Å; S13-M15 PolarHBondContact O-N 3.34Å; S13-E16 PolarHBondContact O-N 3.4Å; S13-L17 PolarHBondContact O-N 2.9Å; S13-L17 VanDerWaalsContact O-N 3.09Å
14	F	87.3	Confident	83.9	Confident	169 Å²	169	117.2 Å²	117.2	74%	0.741	59%	0.592	S	S	*	*	H	α-helix	trans	-63.6	-36.2	175	179.8	-140.9	0	0	0	112.8	G12 F18	G12-F14 PolarHBondContact O-N 3.28Å; F14-F18 WeakPolarHBondContact O-CB 3.47Å; F14-F18 PolarHBondContact O-N 2.91Å
15	M	88.9	Confident	84.1	Confident	105 Å²	105	118.8 Å²	118.8	52%	0.517	59%	0.587	S	S	.	*	H	α-helix	trans	-71.9	-34.2	178.4	-167.4	62.7	61.1	0	0	111.6	G12 S13 F18 K19	G12-M15 WeakPolarHBondContact O-CA 3.33Å; G12-M15 VanDerWaalsContact O-CB 3.32Å; G12-M15 WeakPolarHBondContact O-CB 3.35Å; G12-M15 PolarHBondContact O-N 3.02Å; S13-M15 VanDerWaalsContact C-N 3.31Å; S13-M15 PolarHBondContact O-N 3.34Å; M15-F18 PolarHBondContact O-N 3.33Å; M15-K19 HydrophobicContact CG-CD 4.48Å; M15-K19 WeakPolarHBondContact O-CB 3.22Å; M15-K19 VanDerWaalsContact O-CG 3.24Å; M15-K19 WeakPolarHBondContact O-CG 3.35Å; M15-K19 PolarHBondContact O-N 2.68Å
16	E	91.9	Very high	84	Confident	131 Å²	131	116.2 Å²	116.2	61%	0.612	58%	0.579	S	S	*	*	H	α-helix	trans	-65.5	-47.2	174.5	-68.9	-177	164.4	0	0	111.5	G12 S13 F18 K19 Q20	G12-E16 PolarHBondContact O-N 2.9Å; S13-E16 PolarHBondContact O-N 3.4Å; E16-F18 VanDerWaalsContact C-N 3.32Å; E16-F18 PolarHBondContact O-N 3.29Å; E16-K19 PolarHBondContact O-N 3.04Å; E16-Q20 WeakPolarHBondContact O-CB 3.31Å; E16-Q20 PolarHBondContact O-N 3.32Å
17	L	88.8	Confident	83.6	Confident	92 Å²	92	120.2 Å²	120.2	48%	0.482	59%	0.586	S	S	.	*	H	α-helix	trans	-58.9	-43.6	174	-101	69.1	0	0	0	111.7	S13 Q20 M21	S13-L17 PolarHBondContact O-N 2.9Å; S13-L17 VanDerWaalsContact O-N 3.09Å; L17-Q20 PolarHBondContact O-N 3.22Å; L17-M21 WeakPolarHBondContact O-CG 3.36Å; L17-M21 PolarHBondContact O-N 2.98Å
18	F	90.6	Very high	83	Confident	95 Å²	95	117.1 Å²	117.1	42%	0.417	57%	0.565	S	S	.	*	H	α-helix	trans	-62.8	-44.4	178.6	-176.5	-99.5	0	0	0	112.1	F14 M15 E16 Q20 M21 Q22	F14-F18 WeakPolarHBondContact O-CB 3.47Å; F14-F18 PolarHBondContact O-N 2.91Å; M15-F18 PolarHBondContact O-N 3.33Å; E16-F18 VanDerWaalsContact C-N 3.32Å; E16-F18 PolarHBondContact O-N 3.29Å; F18-Q20 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 2.91Å; F18-M21 PolarHBondContact O-N 3.45Å; F18-Q22 HydrophobicContact CD1-CG 4.34Å; F18-Q22 HydrophobicContact CE1-CG 3.91Å; F18-Q22 HydrophobicContact CZ-CG 4.07Å; F18-Q22 PolarHBondContact O-N 3.37Å
19	K	92	Very high	82.3	Confident	129 Å²	129	113.4 Å²	113.4	56%	0.561	56%	0.561	S	S	*	*	H	α-helix	trans	-62	-41.1	175.4	-75.1	171	179.5	178.8	0	111.9	M15 E16 Q22 A23	M15-K19 HydrophobicContact CG-CD 4.48Å; M15-K19 WeakPolarHBondContact O-CB 3.22Å; M15-K19 VanDerWaalsContact O-CG 3.24Å; M15-K19 WeakPolarHBondContact O-CG 3.35Å; M15-K19 PolarHBondContact O-N 2.68Å; E16-K19 PolarHBondContact O-N 3.04Å; K19-Q22 PolarHBondContact O-N 3.31Å; K19-A23 WeakPolarHBondContact O-CB 3.39Å; K19-A23 PolarHBondContact O-N 3.47Å
20	Q	90.9	Very high	81.5	Confident	128 Å²	128	112.2 Å²	112.2	60%	0.598	56%	0.561	S	S	*	*	H	α-helix	trans	-62.1	-45.5	176.7	-175.3	177	-27.1	0	0	111.1	E16 L17 F18 Q22 A23 E24	E16-Q20 WeakPolarHBondContact O-CB 3.31Å; E16-Q20 PolarHBondContact O-N 3.32Å; L17-Q20 PolarHBondContact O-N 3.22Å; F18-Q20 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 2.91Å; Q20-Q22 PolarHBondContact O-N 2.95Å; Q20-A23 PolarHBondContact O-N 3.34Å; Q20-E24 WeakPolarHBondContact O-CB 3.43Å; Q20-E24 PolarHBondContact O-N 2.93Å
21	M	88	Confident	80.3	Confident	110 Å²	110	111.9 Å²	111.9	54%	0.542	55%	0.554	S	S	.	*	H	α-helix	trans	-62.5	-39.4	176.5	-71.9	178.3	177.1	0	0	112.7	L17 F18 Q25	L17-M21 WeakPolarHBondContact O-CG 3.36Å; L17-M21 PolarHBondContact O-N 2.98Å; F18-M21 PolarHBondContact O-N 3.45Å; M21-Q25 WeakPolarHBondContact O-CB 3.46Å; M21-Q25 VanDerWaalsContact O-CG 3.31Å; M21-Q25 WeakPolarHBondContact O-CG 3.4Å; M21-Q25 PolarHBondContact O-N 3.09Å
22	Q	87.5	Confident	78.8	Confident	91 Å²	91	115.1 Å²	115.1	43%	0.425	56%	0.562	S	S	.	*	H	α-helix	trans	-65.5	-47.6	174.9	-74.3	-168.1	-49.5	0	0	111.9	F18 K19 Q20 E24 Q25 E26	F18-Q22 HydrophobicContact CD1-CG 4.34Å; F18-Q22 HydrophobicContact CE1-CG 3.91Å; F18-Q22 HydrophobicContact CZ-CG 4.07Å; F18-Q22 PolarHBondContact O-N 3.37Å; K19-Q22 PolarHBondContact O-N 3.31Å; Q20-Q22 PolarHBondContact O-N 2.95Å; Q22-E24 PolarHBondContact O-N 3.3Å; Q22-Q25 PolarHBondContact O-N 3.41Å; Q22-E26 WeakPolarHBondContact O-CG 3.36Å; Q22-E26 PolarHBondContact O-N 3.13Å
23	A	87.6	Confident	77.3	Confident	44 Å²	44	118.3 Å²	118.3	36%	0.364	58%	0.579	S	S	.	*	H	α-helix	trans	-62	-34.3	178.6	0	0	0	0	0	112.2	K19 Q20 R27	K19-A23 WeakPolarHBondContact O-CB 3.39Å; K19-A23 PolarHBondContact O-N 3.47Å; Q20-A23 PolarHBondContact O-N 3.34Å; A23-R27 WeakPolarHBondContact O-CG 3.39Å
24	E	85.4	Confident	75.6	Confident	116 Å²	116	121.7 Å²	121.7	54%	0.542	60%	0.597	S	S	.	*	H	α-helix	trans	-70.2	-49	173.6	-167.4	169	-172.3	0	0	110.9	Q20 Q22 E26 R27 V28	Q20-E24 WeakPolarHBondContact O-CB 3.43Å; Q20-E24 PolarHBondContact O-N 2.93Å; Q22-E24 PolarHBondContact O-N 3.3Å; E24-E26 VanDerWaalsContact C-N 3.32Å; E24-E26 PolarHBondContact O-N 3.2Å; E24-R27 WeakPolarHBondContact O-CB 3.45Å; E24-R27 PolarHBondContact O-N 3.48Å; E24-V28 HydrophobicContact CG-CG2 4.43Å; E24-V28 VanDerWaalsContact O-CG2 3.22Å; E24-V28 WeakPolarHBondContact O-CG2 3.42Å; E24-V28 PolarHBondContact O-N 3.02Å
25	Q	79.2	Confident	74	Confident	141 Å²	141	119.7 Å²	119.7	66%	0.659	59%	0.593	S	S	*	*	H	α-helix	trans	-59.8	-37.2	177.8	-77.7	-175.6	7.8	0	0	113.7	M21 Q22 R27 V28 S29	M21-Q25 WeakPolarHBondContact O-CB 3.46Å; M21-Q25 VanDerWaalsContact O-CG 3.31Å; M21-Q25 WeakPolarHBondContact O-CG 3.4Å; M21-Q25 PolarHBondContact O-N 3.09Å; Q22-Q25 PolarHBondContact O-N 3.41Å; Q25-R27 VanDerWaalsContact C-N 3.26Å; Q25-R27 PolarHBondContact O-N 3.29Å; Q25-V28 PolarHBondContact O-N 2.91Å; Q25-S29 WeakPolarHBondContact O-CB 3.38Å; Q25-S29 PolarHBondContact O-N 2.97Å
26	E	75.9	Confident	72.4	Confident	144 Å²	144	120.4 Å²	120.4	67%	0.673	61%	0.606	S	S	*	*	H	α-helix	trans	-61.9	-35.7	175.1	-75.8	177.3	-169.5	0	0	111.8	Q22 E24	Q22-E26 WeakPolarHBondContact O-CG 3.36Å; Q22-E26 PolarHBondContact O-N 3.13Å; E24-E26 VanDerWaalsContact C-N 3.32Å; E24-E26 PolarHBondContact O-N 3.2Å
27	R	67.9	Low	70.4	Confident	205 Å²	205	120.4 Å²	120.4	77%	0.774	61%	0.61	S	S	*	*	H	α-helix	trans	-73	-40.2	175.6	-66.3	173.3	-177.9	-171.4	0.2	111.8	A23 E24 Q25 S29	A23-R27 WeakPolarHBondContact O-CG 3.39Å; E24-R27 WeakPolarHBondContact O-CB 3.45Å; E24-R27 PolarHBondContact O-N 3.48Å; Q25-R27 VanDerWaalsContact C-N 3.26Å; Q25-R27 PolarHBondContact O-N 3.29Å; R27-S29 VanDerWaalsContact C-N 3.35Å
28	V	61	Low	68.7	Low	49 Å²	49	121.9 Å²	121.9	30%	0.297	62%	0.622	S	S	.	*	H	α-helix	trans	-79.7	-15.3	-179.1	-152	0	0	0	0	112.9	E24 Q25 I30 E31 K32 P33	E24-V28 HydrophobicContact CG-CG2 4.43Å; E24-V28 VanDerWaalsContact O-CG2 3.22Å; E24-V28 WeakPolarHBondContact O-CG2 3.42Å; E24-V28 PolarHBondContact O-N 3.02Å; Q25-V28 PolarHBondContact O-N 2.91Å; V28-I30 PolarHBondContact O-N 3.28Å; V28-E31 WeakPolarHBondContact CG1-O 3.24Å; V28-E31 CarbonylContact O-C 3.04Å; V28-E31 PolarHBondContact O-N 3.03Å; V28-E31 VanDerWaalsContact O-O 3.11Å; V28-K32 PolarHBondContact O-N 3.39Å; V28-P33 HydrophobicContact CB-CB 4.31Å; V28-P33 HydrophobicContact CB-CG 4.21Å; V28-P33 HydrophobicContact CG1-CB 3.57Å; V28-P33 HydrophobicContact CG1-CG 3.87Å
29	S	57.5	Low	66.8	Low	98 Å²	98	123.4 Å²	123.4	69%	0.685	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-16.7	176.4	-172.4	0	0	0	0	114	Q25 R27	Q25-S29 WeakPolarHBondContact O-CB 3.38Å; Q25-S29 PolarHBondContact O-N 2.97Å; R27-S29 VanDerWaalsContact C-N 3.35Å
30	I	57.2	Low	64.8	Low	150 Å²	150	126.2 Å²	126.2	77%	0.769	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-24.2	173.1	-63	172.5	0	0	0	110.8	V28	V28-I30 PolarHBondContact O-N 3.28Å
31	E	54	Low	63.1	Low	158 Å²	158	125.9 Å²	125.9	74%	0.738	66%	0.658	S	S	*	*	S	Bend	trans	-133.4	70.7	-177.3	-63.7	-175.6	-179.1	0	0	109.6	V28	V28-E31 WeakPolarHBondContact CG1-O 3.24Å; V28-E31 CarbonylContact O-C 3.04Å; V28-E31 PolarHBondContact O-N 3.03Å; V28-E31 VanDerWaalsContact O-O 3.11Å
32	K	50.6	Low	61.1	Low	186 Å²	186	128.3 Å²	128.3	81%	0.809	67%	0.668	S	S	*	*			trans	8.3	101.4	168.1	-65.9	169.2	-176	169.7	0	114.2	V28 V34	V28-K32 PolarHBondContact O-N 3.39Å; K32-V34 VanDerWaalsContact C-N 3.3Å; K32-V34 PolarHBondContact O-N 2.88Å
33	P	55.8	Low	59.3	Low	91 Å²	91	130.8 Å²	130.8	59%	0.591	68%	0.684	S	S	*	*			trans	-70.8	94.3	171.3	21.8	-20.6	0	0	0	108.3	V28 I35	V28-P33 HydrophobicContact CB-CB 4.31Å; V28-P33 HydrophobicContact CB-CG 4.21Å; V28-P33 HydrophobicContact CG1-CB 3.57Å; V28-P33 HydrophobicContact CG1-CG 3.87Å; P33-I35 PolarHBondContact O-N 3.05Å
34	V	49.4	Very low	57.3	Low	123 Å²	123	134.1 Å²	134.1	75%	0.745	70%	0.7	S	S	*	*			trans	-59.3	107.6	160.2	174.3	0	0	0	0	105.8	K32 P36	K32-V34 VanDerWaalsContact C-N 3.3Å; K32-V34 PolarHBondContact O-N 2.88Å; V34-P36 WeakPolarHBondContact O-CD 3.45Å
35	I	54.6	Low	55.6	Low	127 Å²	127	134.8 Å²	134.8	65%	0.651	71%	0.707	S	S	*	*			trans	-48.9	106.9	171.4	-56.9	161.9	0	0	0	108	P33 N37	P33-I35 PolarHBondContact O-N 3.05Å; I35-N37 VanDerWaalsContact CG2-ND2 3.33Å; I35-N37 WeakPolarHBondContact CG2-ND2 3.42Å; I35-N37 PolarHBondContact O-N 3.42Å
36	P	54.6	Low	54.5	Low	121 Å²	121	136.2 Å²	136.2	79%	0.786	71%	0.714	S	S	*	*			trans	-85.3	78.8	169.5	24.9	-9.7	0	0	0	106.7	V34 V38	V34-P36 WeakPolarHBondContact O-CD 3.45Å; P36-V38 PolarHBondContact O-N 3.08Å
37	N	50.6	Low	53.4	Low	131 Å²	131	138.1 Å²	138.1	70%	0.701	72%	0.72	S	S	*	*			trans	-59.7	125.6	147.6	-69.7	-58.5	0	0	0	105.8	I35	I35-N37 VanDerWaalsContact CG2-ND2 3.33Å; I35-N37 WeakPolarHBondContact CG2-ND2 3.42Å; I35-N37 PolarHBondContact O-N 3.42Å
38	V	52.9	Low	52.4	Low	123 Å²	123	135.5 Å²	135.5	75%	0.745	72%	0.717	S	S	*	*	S	Bend	trans	81	102.2	163.8	-170.7	0	0	0	0	116.1	P36	P36-V38 PolarHBondContact O-N 3.08Å
39	V	50.8	Low	51.9	Low	127 Å²	127	137.7 Å²	137.7	77%	0.77	73%	0.734	S	S	*	*			trans	40.8	102	133.1	-170.2	0	0	0	0	117.3
40	K	49	Very low	51.7	Low	188 Å²	188	142.4 Å²	142.4	82%	0.817	74%	0.742	S	S	*	*			trans	179.9	96.2	145.2	-100.1	159.1	-177.5	-170	0	106.4
41	V	54.7	Low	50.8	Low	121 Å²	121	144.4 Å²	144.4	73%	0.733	75%	0.749	S	S	*	*				32	107.9	92.7	-174.5	0	0	0	0	110.9
42	E	47	Very low	49.7	Very low	161 Å²	161	141.8 Å²	141.8	75%	0.752	75%	0.746	S	S	*	*			trans	172.7	105.4	139.7	-88.9	157.7	-127.9	0	0	109.5
43	N	49.3	Very low	49.2	Very low	143 Å²	143	141.1 Å²	141.1	77%	0.765	74%	0.743	S	S	*	*			trans	31.7	134.1	141.8	-39.7	-59.8	0	0	0	118
44	T	46.8	Very low	48.5	Very low	113 Å²	113	142.4 Å²	142.4	69%	0.693	75%	0.75	S	S	*	*			cis	173.6	131.9	48.3	-22.1	0	0	0	0	101.5
45	D	49.8	Very low	48.4	Very low	130 Å²	130	144.4 Å²	144.4	70%	0.695	75%	0.751	S	S	*	*				-178.9	130.2	79.5	-77.8	-46.2	0	0	0	108.2
46	E	54.5	Low	48.2	Very low	171 Å²	171	144.3 Å²	144.3	80%	0.799	76%	0.762	S	S	*	*			trans	59.9	110.9	136.9	-56.3	-172.2	165.9	0	0	121.4
47	F	53.9	Low	48.2	Very low	184 Å²	184	146.2 Å²	146.2	81%	0.807	76%	0.76	S	S	*	*			trans	71.4	127.7	132.3	-99.5	-117.9	0	0	0	116.7
48	E	45.4	Very low	48.1	Very low	151 Å²	151	146.9 Å²	146.9	71%	0.706	77%	0.769	S	S	*	*			cis	-174.3	128.8	38	-156.3	167.5	-149.3	0	0	108.9
49	S	52.2	Low	48.6	Very low	94 Å²	94	145.9 Å²	145.9	66%	0.657	76%	0.763	S	S	*	*			trans	44.7	124.5	149.8	83.6	0	0	0	0	119.2
50	K	52	Low	48.9	Very low	197 Å²	197	144.1 Å²	144.1	86%	0.857	75%	0.754	S	S	*	*				-160.7	119.4	54.2	-71.6	-174.9	-177.4	-176.5	0	110.7
51	Q	39.1	Very low	49.2	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	75%	0.748	S	S	*	*			trans	-40	133	161.5	179.5	-176.5	-0.4	0	0	114.5
52	C	30.9	Very low	49.5	Very low	102 Å²	102	146.3 Å²	146.3	69%	0.689	75%	0.751	S	S	*	*			trans	-160.2	105.5	138.2	-150.8	0	0	0	0	112.5
53	K	40.5	Very low	50.2	Low	172 Å²	172	146.1 Å²	146.1	75%	0.748	75%	0.75	S	S	*	*			trans	73.1	114	144.5	-65.1	171.7	-172.7	178.1	0	119.1
54	T	39.7	Very low	50.6	Low	119 Å²	119	146 Å²	146	73%	0.73	75%	0.748	S	S	*	*				62.1	112	95.5	-25.4	0	0	0	0	108.9
55	E	49.1	Very low	51.2	Low	165 Å²	165	147.9 Å²	147.9	77%	0.771	75%	0.747	S	S	*	*				-163.1	129.4	63.1	-78.1	157.3	-179.3	0	0	108	E57	E55-E57 PolarHBondContact O-N 2.76Å
56	S	49.4	Very low	51.9	Low	125 Å²	125	146.7 Å²	146.7	87%	0.874	75%	0.747	S	S	*	*			trans	-83.9	90.6	170.3	55.1	0	0	0	0	108.9
57	E	53.7	Low	52.1	Low	161 Å²	161	147.3 Å²	147.3	75%	0.752	75%	0.751	S	S	*	*			trans	-105.3	109	163.7	-73.9	-166.6	156.4	0	0	109.3	E55 V59	E55-E57 PolarHBondContact O-N 2.76Å; E57-V59 VanDerWaalsContact C-N 3.31Å; E57-V59 WeakPolarHBondContact O-CG2 3.28Å; E57-V59 PolarHBondContact O-N 3.19Å
58	T	50.1	Low	52.6	Low	145 Å²	145	145.2 Å²	145.2	89%	0.89	75%	0.747	S	S	*	*			trans	-58.1	87.8	168.7	26.9	0	0	0	0	110.4
59	V	61.9	Low	53.6	Low	102 Å²	102	142.1 Å²	142.1	62%	0.618	74%	0.74	S	S	*	*			trans	-83.7	124.9	166.5	-135.7	0	0	0	0	107.9	E57 Y61	E57-V59 VanDerWaalsContact C-N 3.31Å; E57-V59 WeakPolarHBondContact O-CG2 3.28Å; E57-V59 PolarHBondContact O-N 3.19Å; V59-Y61 PolarHBondContact O-N 2.9Å
60	P	57.2	Low	54.1	Low	89 Å²	89	149.5 Å²	149.5	58%	0.578	75%	0.754	S	S	*	*			trans	-58.6	126.6	177.7	23.9	-32.5	0	0	0	108.9	F62 Q63	P60-F62 PolarHBondContact O-N 3.21Å; P60-Q63 PolarHBondContact O-N 2.76Å
61	Y	56.3	Low	54.2	Low	175 Å²	175	149.1 Å²	149.1	69%	0.686	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	1.3	-174	-168.5	-100.4	0	0	0	116.1	V59	V59-Y61 PolarHBondContact O-N 2.9Å
62	F	61.6	Low	54.7	Low	181 Å²	181	150.6 Å²	150.6	79%	0.794	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-8	-179.7	-70.2	-77.5	0	0	0	115.2	P60	P60-F62 PolarHBondContact O-N 3.21Å
63	Q	60.3	Low	55.5	Low	157 Å²	157	157 Å²	157	73%	0.734	76%	0.76	S	S	*	*	S	Bend	trans	-95.1	-1.5	179.2	-68.5	-172.1	-43.2	0	0	114.7	P60	P60-Q63 PolarHBondContact O-N 2.76Å
64	L	59	Low	56.2	Low	139 Å²	139	157.1 Å²	157.1	73%	0.728	76%	0.763	S	S	*	*			trans	-90.8	10.9	-177.2	-83.6	167	0	0	0	115.2	P66	L64-P66 WeakPolarHBondContact O-CD 3.15Å
65	F	57.6	Low	57.2	Low	153 Å²	153	156.7 Å²	156.7	67%	0.671	77%	0.765	S	S	*	*	S	Bend	trans	-103.1	109	171.3	-67.2	-75.4	0	0	0	109.7	M67	F65-M67 PolarHBondContact O-N 3.04Å; F65-M67 VanDerWaalsContact O-N 3.13Å
66	P	66.4	Low	57.6	Low	106 Å²	106	154.5 Å²	154.5	69%	0.688	76%	0.758	S	S	*	*			trans	-58.4	125	165.6	25.4	-31.2	0	0	0	107	L64 I68	L64-P66 WeakPolarHBondContact O-CD 3.15Å; P66-I68 VanDerWaalsContact C-N 3.26Å; P66-I68 PolarHBondContact O-N 3.04Å
67	M	57.1	Low	57.9	Low	183 Å²	183	159.2 Å²	159.2	90%	0.901	76%	0.757	S	S	*	*			trans	-51.2	93.8	167.3	-177.1	164.2	180	0	0	108.1	F65 P69	F65-M67 PolarHBondContact O-N 3.04Å; F65-M67 VanDerWaalsContact O-N 3.13Å; M67-P69 WeakPolarHBondContact O-CD 3.32Å; M67-P69 VanDerWaalsContact O-N 3.13Å
68	I	65.3	Low	57.9	Low	141 Å²	141	162.7 Å²	162.7	72%	0.723	76%	0.763	S	S	*	*			trans	-63.1	116	176.1	-61.2	173.5	0	0	0	105.6	P66 R70	P66-I68 VanDerWaalsContact C-N 3.26Å; P66-I68 PolarHBondContact O-N 3.04Å; I68-R70 PolarHBondContact O-N 3.41Å; I68-R70 VanDerWaalsContact O-N 3.08Å
69	P	65.5	Low	58.3	Low	86 Å²	86	159.4 Å²	159.4	56%	0.558	75%	0.746	S	S	*	*			trans	-60	121.4	175	-18.6	31.4	0	0	0	107.6	M67 F71	M67-P69 WeakPolarHBondContact O-CD 3.32Å; M67-P69 VanDerWaalsContact O-N 3.13Å; P69-F71 HydrophobicContact CB-CB 4.47Å; P69-F71 PolarHBondContact O-N 3.46Å
70	R	63.4	Low	57.8	Low	249 Å²	249	163.9 Å²	163.9	94%	0.94	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	14.8	174.6	-59.3	-174	-167	-139.4	3.4	113.6	I68	I68-R70 PolarHBondContact O-N 3.41Å; I68-R70 VanDerWaalsContact O-N 3.08Å
71	F	53.1	Low	57.7	Low	189 Å²	189	165.3 Å²	165.3	83%	0.829	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	0.6	-173	-124	-92.7	0	0	0	114	P69	P69-F71 HydrophobicContact CB-CB 4.47Å; P69-F71 PolarHBondContact O-N 3.46Å
72	W	50.7	Low	57.6	Low	224 Å²	224	165.4 Å²	165.4	85%	0.848	76%	0.764	S	S	*	*	S	Bend	trans	-91.2	-0.5	-177.1	-90.2	58.7	0	0	0	115.8
73	W	48.1	Very low	57.5	Low	237 Å²	237	164 Å²	164	90%	0.898	76%	0.764	S	S	*	*	S	Bend	trans	-99.6	-14.1	-170.5	-161.8	40.6	0	0	0	116.3
74	Q	54.4	Low	57.5	Low	174 Å²	174	161.8 Å²	161.8	81%	0.813	76%	0.761	S	S	*	*	S	Bend	trans	-87.1	-22.4	-170.9	-162.9	65	43.1	0	0	114.9
75	S	60.6	Low	56.8	Low	109 Å²	109	159.1 Å²	159.1	76%	0.762	75%	0.753	S	S	*	*	S	Bend	trans	-107.6	-2.1	-163.8	-65.4	0	0	0	0	117.2
76	N	58.4	Low	56.3	Low	119 Å²	119	158 Å²	158	64%	0.636	76%	0.761	S	S	*	*			trans	-126.6	38.1	-172.7	-74.8	-35.5	0	0	0	115.3	W78	N76-W78 PolarHBondContact O-N 3.12Å
77	R	54.6	Low	56	Low	224 Å²	224	158.6 Å²	158.6	85%	0.845	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-10	174.9	-175.6	174	-84.4	-135.4	0.3	113.9
78	W	54.5	Low	56	Low	235 Å²	235	155.6 Å²	155.6	89%	0.89	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-7.4	-171.7	-69.7	37.9	0	0	0	113.9	N76	N76-W78 PolarHBondContact O-N 3.12Å
79	S	57.4	Low	55.2	Low	75 Å²	75	153 Å²	153	52%	0.524	75%	0.749	S	S	.	*	S	Bend	trans	-85.6	-24.7	-175.9	-164.7	0	0	0	0	114	V81 F82	S79-V81 VanDerWaalsContact C-N 3.3Å; S79-V81 PolarHBondContact O-N 2.99Å; S79-F82 PolarHBondContact O-N 3.2Å
80	Y	51.7	Low	54.7	Low	197 Å²	197	154.4 Å²	154.4	77%	0.773	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-15.5	-175.5	-136.4	-93.5	0	0	0	113.8
81	V	55.7	Low	54.3	Low	118 Å²	118	151.3 Å²	151.3	72%	0.715	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-19.1	177.8	-179.2	0	0	0	0	111.9	S79	S79-V81 VanDerWaalsContact C-N 3.3Å; S79-V81 PolarHBondContact O-N 2.99Å
82	F	54.4	Low	54.4	Low	178 Å²	178	150 Å²	150	78%	0.781	76%	0.758	S	S	*	*	S	Bend	trans	-84	-17.2	-175.1	-151.8	-98	0	0	0	114	S79	S79-F82 PolarHBondContact O-N 3.2Å
83	L	58.9	Low	54.5	Low	151 Å²	151	148.7 Å²	148.7	79%	0.791	76%	0.758	S	S	*	*	S	Bend	trans	-92.5	-8.1	-178	-80.6	158.7	0	0	0	114.2
84	V	60.2	Low	54.8	Low	110 Å²	110	145 Å²	145	67%	0.667	75%	0.751	S	S	*	*	S	Bend	trans	-101.6	-13.8	-174.2	-180	0	0	0	0	113.5
85	C	44.6	Very low	54.7	Low	84 Å²	84	145.4 Å²	145.4	57%	0.568	75%	0.745	S	S	*	*			trans	-134.8	100.4	178.3	-98.2	0	0	0	0	111.8	T87	C85-T87 PolarHBondContact O-N 3.39Å; C85-T87 VanDerWaalsContact O-N 3.12Å
86	P	48	Very low	54.3	Low	129 Å²	129	144.8 Å²	144.8	84%	0.838	74%	0.741	S	S	*	*	S	Bend	trans	-80.5	20	-177.7	31.3	-32.2	0	0	0	114.6
87	T	58.7	Low	54	Low	119 Å²	119	144.7 Å²	144.7	73%	0.73	74%	0.739	S	S	*	*			trans	-139.9	48.6	-170.1	47.2	0	0	0	0	113.6	C85	C85-T87 PolarHBondContact O-N 3.39Å; C85-T87 VanDerWaalsContact O-N 3.12Å
88	V	58.1	Low	54	Low	119 Å²	119	142.4 Å²	142.4	72%	0.721	73%	0.731	S	S	*	*	S	Bend	trans	-131.8	89	162.7	-166.5	0	0	0	0	111.1
89	S	48.7	Very low	54.2	Low	86 Å²	86	136.8 Å²	136.8	60%	0.601	72%	0.717	S	S	*	*			trans	66	95.5	135.5	-157.4	0	0	0	0	118	K91	S89-K91 PolarHBondContact O-N 2.79Å
90	A	53.9	Low	54.2	Low	116 Å²	116	136.5 Å²	136.5	96%	0.959	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	32.7	163.4	0	0	0	0	0	115
91	K	55.5	Low	54.4	Low	185 Å²	185	136.2 Å²	136.2	80%	0.804	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	8.5	-175.9	-109.1	179.2	-179	177.2	0	115.9	S89	S89-K91 PolarHBondContact O-N 2.79Å
92	Q	54.5	Low	54.4	Low	161 Å²	161	135.3 Å²	135.3	75%	0.752	72%	0.717	S	S	*	*	S	Bend	trans	-101.1	-1.6	-177.3	-160.9	155.8	-15	0	0	115
93	K	53.2	Low	54.6	Low	196 Å²	196	133.5 Å²	133.5	85%	0.852	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-10.3	-177.1	-160	156.5	-178.1	176.6	0	115
94	Q	54.9	Low	54.5	Low	160 Å²	160	129.7 Å²	129.7	75%	0.748	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-5.6	176.1	-86.3	-169.7	-13.8	0	0	115.3
95	R	52.6	Low	54	Low	182 Å²	182	132.8 Å²	132.8	69%	0.687	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-23	179.8	-81.1	-177.2	166.8	172.2	-4.3	114	L97 R98	R95-L97 PolarHBondContact O-N 3.34Å; R95-R98 PolarHBondContact O-N 3.5Å
96	S	52.2	Low	54.5	Low	96 Å²	96	135.2 Å²	135.2	67%	0.671	75%	0.746	S	S	*	*	H	α-helix	trans	-70.7	-29.5	177.6	-171	0	0	0	0	113.5	R98	S96-R98 VanDerWaalsContact C-N 3.33Å
97	L	52.4	Low	54.8	Low	117 Å²	117	135.5 Å²	135.5	61%	0.613	74%	0.741	S	S	*	*	H	α-helix	trans	-80.3	-12.6	176.9	-78.7	162.7	0	0	0	113	R95 Y101	R95-L97 PolarHBondContact O-N 3.34Å; L97-Y101 WeakPolarHBondContact O-CD2 3.33Å
98	R	53.6	Low	54.6	Low	177 Å²	177	136.4 Å²	136.4	67%	0.668	74%	0.742	S	S	*	*	H	α-helix	trans	-82.1	-20.2	176.8	-105.1	-170.3	-84.1	-178.9	-10.9	114.1	R95 S96	R95-R98 PolarHBondContact O-N 3.5Å; S96-R98 VanDerWaalsContact C-N 3.33Å
99	I	58.9	Low	54.4	Low	117 Å²	117	137.5 Å²	137.5	60%	0.6	74%	0.743	S	S	*	*	H	α-helix	trans	-86.8	-31.7	179.7	-59.3	173.9	0	0	0	110.8	Y101 S102 I103	I99-Y101 PolarHBondContact O-N 3.44Å; I99-S102 PolarHBondContact O-N 3.49Å; I99-I103 HydrophobicContact CG2-CD1 4.31Å
100	A	57.6	Low	54.7	Low	68 Å²	68	140.7 Å²	140.7	56%	0.562	75%	0.752	S	S	*	*	H	α-helix	trans	-71.1	-28.4	178.7	0	0	0	0	0	113.8	S102	A100-S102 VanDerWaalsContact C-N 3.35Å
101	Y	55.9	Low	54.8	Low	192 Å²	192	142.3 Å²	142.3	75%	0.753	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-5.7	178.5	-85	-90.9	0	0	0	114.3	L97 I99	L97-Y101 WeakPolarHBondContact O-CD2 3.33Å; I99-Y101 PolarHBondContact O-N 3.44Å
102	S	56.6	Low	54.7	Low	98 Å²	98	139.3 Å²	139.3	69%	0.685	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-4.2	179.9	-159.6	0	0	0	0	113.8	I99 A100	I99-S102 PolarHBondContact O-N 3.49Å; A100-S102 VanDerWaalsContact C-N 3.35Å
103	I	58.6	Low	54.7	Low	140 Å²	140	137.6 Å²	137.6	72%	0.718	73%	0.732	S	S	*	*	S	Bend	trans	-111.3	-2.4	-178.8	-55.7	166.2	0	0	0	111	I99	I99-I103 HydrophobicContact CG2-CD1 4.31Å
104	G	55.2	Low	54.9	Low	72 Å²	72	132.8 Å²	132.8	74%	0.742	72%	0.722	S	S	*	*			trans	-124.7	21.3	-176.6	0	0	0	0	0	115.1
105	S	50	Low	54.9	Low	174 Å²	174	130.3 Å²	130.3	100%	1.217	72%	0.72	S	S	*	*			trans	-102.7	0	168.4	-160.3	0	0	0	0	109.9

Retrieved 105 of 105 residues in 149.5 ms (Link to these results)

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