A0A077ZDY0_TRITR Loading...

Chymotrypsin-elastase inhibitor ixodidin

AlphaFold DB , UniProt , Accession A0A077ZDY0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 69 aa.

						>A0A077ZDY0_TRITR|A0A077ZDY0
MLSCEILVAYQTCGPNQEYVKCGSACPLTCKDVKHPRPKVCTMQCVSGCFCKSGYALNDSKRCVPKKDC
					

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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	52.2	Low	59.7	Low	239 Å²	239	147.8 Å²	147.8	100%	1.177	79%	0.788	S	S	*	*				0	95.3	0	-72.3	177.6	-83.3	0	0	108.3
2	L	52.3	Low	61.7	Low	171 Å²	171	141.5 Å²	141.5	90%	0.895	76%	0.759	S	S	*	*			trans	-156.4	121.3	154.7	-93.9	137.9	0	0	0	105.1
3	S	62.8	Low	64.2	Low	82 Å²	82	131 Å²	131	57%	0.573	70%	0.704	S	S	*	*			trans	-64.9	136.1	-157.5	36.6	0	0	0	0	114.4	E5	S3-E5 PolarHBondContact O-N 2.86Å
4	C	62.1	Low	66.2	Low	136 Å²	136	123.4 Å²	123.4	92%	0.919	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	39.8	173.9	-163.1	0	0	0	0	113.2
5	E	62.6	Low	68.1	Low	152 Å²	152	122.6 Å²	122.6	71%	0.71	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.7	7.8	-173	-66.8	-149	177.3	0	0	118.1	S3 L7	S3-E5 PolarHBondContact O-N 2.86Å; E5-L7 PolarHBondContact O-N 3.36Å
6	I	60	Low	69.9	Low	136 Å²	136	118.6 Å²	118.6	70%	0.697	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-5	-171.3	-49.3	-172.9	0	0	0	114.9
7	L	55.5	Low	71.5	Confident	169 Å²	169	114.4 Å²	114.4	89%	0.885	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	23.5	177.7	-61.1	-179.1	0	0	0	114.3	E5 A9	E5-L7 PolarHBondContact O-N 3.36Å; L7-A9 VanDerWaalsContact C-N 3.31Å; L7-A9 PolarHBondContact O-N 2.92Å
8	V	60.9	Low	72.8	Confident	114 Å²	114	113 Å²	113	69%	0.691	62%	0.615	S	S	*	*	S	Bend	trans	-59	111.8	151.9	-171.9	0	0	0	0	103.9	Y10	V8-Y10 PolarHBondContact O-N 2.7Å
9	A	60.2	Low	74	Confident	80 Å²	80	113.7 Å²	113.7	66%	0.661	61%	0.609	S	S	*	*			trans	-46.7	109.6	176.9	0	0	0	0	0	106.5	L7 Q11	L7-A9 VanDerWaalsContact C-N 3.31Å; L7-A9 PolarHBondContact O-N 2.92Å; A9-Q11 HydrophobicContact CB-CB 4.19Å; A9-Q11 PolarHBondContact O-N 2.77Å
10	Y	64.4	Low	75	Confident	212 Å²	212	110.2 Å²	110.2	83%	0.831	59%	0.592	S	S	*	*			trans	-72.9	51.2	172.9	-172.3	-100.1	0	0	0	107.8	V8 T12	V8-Y10 PolarHBondContact O-N 2.7Å; Y10-T12 HydrophobicContact CD1-CG2 3.75Å; Y10-T12 HydrophobicContact CD2-CG2 4.37Å; Y10-T12 HydrophobicContact CE1-CG2 3.24Å; Y10-T12 HydrophobicContact CE2-CG2 3.94Å; Y10-T12 HydrophobicContact CG-CG2 4.29Å; Y10-T12 PolarHBondContact O-N 3.05Å; Y10-T12 VanDerWaalsContact O-N 3.09Å
11	Q	63.3	Low	76	Confident	135 Å²	135	113.7 Å²	113.7	63%	0.631	60%	0.601	S	S	*	*			trans	-84.5	80.2	173.6	-170.9	57.6	86.8	0	0	104	A9 C13	A9-Q11 HydrophobicContact CB-CB 4.19Å; A9-Q11 PolarHBondContact O-N 2.77Å; Q11-C13 VanDerWaalsContact CD-O 3.27Å; Q11-C13 WeakPolarHBondContact CG-O 3.14Å; Q11-C13 PolarHBondContact NE2-O 2.79Å; Q11-C13 PolarHBondContact O-N 3.09Å
12	T	84.5	Confident	78.1	Confident	72 Å²	72	106.3 Å²	106.3	44%	0.442	57%	0.573	S	S	.	*			trans	-55.1	-26.2	-178	51.8	0	0	0	0	112.4	Y10 C49	Y10-T12 HydrophobicContact CD1-CG2 3.75Å; Y10-T12 HydrophobicContact CD2-CG2 4.37Å; Y10-T12 HydrophobicContact CE1-CG2 3.24Å; Y10-T12 HydrophobicContact CE2-CG2 3.94Å; Y10-T12 HydrophobicContact CG-CG2 4.29Å; Y10-T12 PolarHBondContact O-N 3.05Å; Y10-T12 VanDerWaalsContact O-N 3.09Å; T12-C49 PolarHBondContact O-SG 2.9Å
13	C	93.2	Very high	80.1	Confident	5 Å²	5	98.7 Å²	98.7	3%	0.034	54%	0.535	C	S	.	.	S	Bend	trans	-135.8	151.4	178.5	-61.7	0	0	0	0	111.6	Q11 Q17 E18 Y19 C49	Q11-C13 VanDerWaalsContact CD-O 3.27Å; Q11-C13 WeakPolarHBondContact CG-O 3.14Å; Q11-C13 PolarHBondContact NE2-O 2.79Å; Q11-C13 PolarHBondContact O-N 3.09Å; C13-Q17 HydrophobicContact CB-CB 3.64Å; C13-E18 VanDerWaalsContact SG-C 3.59Å; C13-Y19 VanDerWaalsContact SG-CA 3.52Å; C13-Y19 VanDerWaalsContact SG-CB 3.52Å; C13-Y19 PolarHBondContact SG-N 2.91Å; C13-C49 WeakPolarHBondContact CA-SG 3.44Å; C13-C49 HydrophobicContact CB-CB 3.64Å; C13-C49 WeakPolarHBondContact CB-SG 3.36Å; C13-C49 VanDerWaalsContact SG-CA 3.53Å; C13-C49 WeakPolarHBondContact SG-CB 3.49Å; C13-C49 CovalentContact SG-SG 2.03Å; C13-C49 PolarHBondContact SG-SG 2.88Å
14	G	92.9	Very high	81.6	Confident	24 Å²	24	97.7 Å²	97.7	25%	0.247	53%	0.528	C	S	.	.			trans	-66.5	-178.1	178.6	0	0	0	0	0	114.4	N16 Q17	G14-N16 PolarHBondContact O-N 3.03Å; G14-Q17 WeakPolarHBondContact O-CB 3.38Å; G14-Q17 PolarHBondContact O-N 3.13Å; G14-Q17 VanDerWaalsContact O-N 3.14Å
15	P	95.3	Very high	83.1	Confident	112 Å²	112	93.2 Å²	93.2	73%	0.727	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	136.8	177.7	-25.7	34.4	0	0	0	112.3	Q17	P15-Q17 PolarHBondContact O-N 2.03Å; P15-Q17 VanDerWaalsContact O-N 3.16Å
16	N	96.5	Very high	84.6	Confident	59 Å²	59	87.8 Å²	87.8	32%	0.316	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	22.4	-179.7	-52	-41.6	0	0	0	114.9	G14 K52 Y55 C63	G14-N16 PolarHBondContact O-N 3.03Å; N16-K52 WeakPolarHBondContact O-CG 3.36Å; N16-K52 PolarHBondContact O-N 2.82Å; N16-Y55 HydrophobicContact CB-CD1 3.51Å; N16-Y55 HydrophobicContact CB-CE1 3.51Å; N16-Y55 HydrophobicContact CB-CG 4.1Å; N16-Y55 WeakPolarHBondContact ND2-CE1 3.45Å; N16-C63 HydrophobicContact CB-CB 3.87Å; N16-C63 PolarHBondContact ND2-O 3.28Å; N16-C63 VanDerWaalsContact ND2-O 3.16Å
17	Q	96.6	Very high	86.2	Confident	46 Å²	46	84 Å²	84	22%	0.215	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	156.5	172.3	-66.3	178.4	-46	0	0	111.4	C13 G14 P15 C49 F50 K52 C63	C13-Q17 HydrophobicContact CB-CB 3.64Å; G14-Q17 WeakPolarHBondContact O-CB 3.38Å; G14-Q17 PolarHBondContact O-N 3.13Å; G14-Q17 VanDerWaalsContact O-N 3.14Å; P15-Q17 PolarHBondContact O-N 2.03Å; P15-Q17 VanDerWaalsContact O-N 3.16Å; Q17-C49 HydrophobicContact CB-CB 4.34Å; Q17-F50 CarbonylContact C-O 3.52Å; Q17-F50 WeakPolarHBondContact CA-O 3.39Å; Q17-F50 WeakPolarHBondContact CB-O 3.3Å; Q17-K52 VanDerWaalsContact O-CE 3.25Å; Q17-K52 WeakPolarHBondContact O-CE 2.99Å; Q17-C63 HydrophobicContact CG-CB 4.26Å; Q17-C63 WeakPolarHBondContact CG-SG 3.46Å
18	E	95.6	Very high	88.1	Confident	90 Å²	90	79 Å²	79	42%	0.421	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.4	171.2	62.2	-172.4	161.1	0	0	109.9	C13 V20 C49 F50 K52	C13-E18 VanDerWaalsContact SG-C 3.59Å; E18-V20 HydrophobicContact CG-CG1 4.24Å; E18-C49 WeakPolarHBondContact O-CA 3.46Å; E18-F50 PolarHBondContact N-O 2.94Å; E18-F50 PolarHBondContact O-N 3.46Å; E18-K52 HydrophobicContact CB-CG 4.15Å; E18-K52 HydrophobicContact CG-CG 4.21Å
19	Y	95	Very high	89.8	Confident	127 Å²	127	75.4 Å²	75.4	50%	0.498	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.2	174.2	-174.3	-92.1	0	0	0	108.6	C13 G48	C13-Y19 VanDerWaalsContact SG-CA 3.52Å; C13-Y19 VanDerWaalsContact SG-CB 3.52Å; C13-Y19 PolarHBondContact SG-N 2.91Å; Y19-G48 WeakPolarHBondContact CA-O 3.26Å
20	V	94.9	Very high	91.6	Very high	43 Å²	43	72.2 Å²	72.2	26%	0.261	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148	170.3	-59.8	0	0	0	0	110.8	E18 C22 S47 G48 F50	E18-V20 HydrophobicContact CG-CG1 4.24Å; V20-C22 VanDerWaalsContact C-N 3.3Å; V20-S47 WeakPolarHBondContact O-CA 3.16Å; V20-G48 PolarHBondContact N-O 3.29Å; V20-G48 PolarHBondContact O-N 2.86Å; V20-F50 HydrophobicContact CG2-CD2 3.29Å; V20-F50 HydrophobicContact CG2-CE2 3.49Å; V20-F50 VanDerWaalsContact CG2-CE2 3.49Å; V20-F50 HydrophobicContact CG2-CG 4.16Å
21	K	95.2	Very high	93.1	Very high	183 Å²	183	69.5 Å²	69.5	80%	0.796	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	-26.1	175.8	-65.2	-177.8	179.8	-179.8	0	112.5	S47	K21-S47 WeakPolarHBondContact O-CA 3.41Å; K21-S47 WeakPolarHBondContact O-CB 3.36Å
22	C	95.4	Very high	94.7	Very high	85 Å²	85	65 Å²	65	57%	0.574	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	88.6	-173.7	-160	0	0	0	0	108.1	V20 C45	V20-C22 VanDerWaalsContact C-N 3.3Å; C22-C45 VanDerWaalsContact CA-SG 3.54Å; C22-C45 HydrophobicContact CB-CB 3.82Å; C22-C45 WeakPolarHBondContact CB-SG 3Å; C22-C45 WeakPolarHBondContact SG-CB 3.24Å; C22-C45 CovalentContact SG-SG 2.03Å; C22-C45 PolarHBondContact SG-SG 2.03Å
23	G	94.5	Very high	95.2	Very high	10 Å²	10	63.7 Å²	63.7	10%	0.103	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	162.3	173.1	0	0	0	0	0	111.6	A25 C45 V46 F50	G23-A25 PolarHBondContact O-N 3.41Å; G23-C45 WeakPolarHBondContact O-CA 3.04Å; G23-V46 PolarHBondContact N-O 3.48Å; G23-V46 PolarHBondContact O-N 3.04Å; G23-F50 VanDerWaalsContact CA-CZ 3.46Å
24	S	94.8	Very high	95.4	Very high	61 Å²	61	69.3 Å²	69.3	43%	0.427	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.4	-178.4	174.8	0	0	0	0	111.9	C26 F50	S24-C26 PolarHBondContact O-N 3.14Å; S24-C26 VanDerWaalsContact O-N 3.08Å; S24-C26 PolarHBondContact OG-N 3.16Å; S24-C26 VanDerWaalsContact OG-N 3.1Å; S24-C26 PolarHBondContact OG-O 3.42Å; S24-F50 VanDerWaalsContact O-CE1 3.26Å; S24-F50 WeakPolarHBondContact O-CE1 3.44Å
25	A	94	Very high	95.6	Very high	42 Å²	42	73.8 Å²	73.8	35%	0.347	39%	0.391	S	S	.	.	S	Bend	trans	-61	-14.5	170.9	0	0	0	0	0	113.7	G23 P27 V46	G23-A25 PolarHBondContact O-N 3.41Å; A25-P27 WeakPolarHBondContact O-CD 3.43Å; A25-V46 HydrophobicContact CB-CG1 4.28Å
26	C	94.4	Very high	95.5	Very high	38 Å²	38	73.6 Å²	73.6	26%	0.257	39%	0.39	S	S	.	.	S	Bend	trans	-115.6	83.2	176.7	-43.5	0	0	0	0	110.6	S24 K39 C41	S24-C26 PolarHBondContact O-N 3.14Å; S24-C26 VanDerWaalsContact O-N 3.08Å; S24-C26 PolarHBondContact OG-N 3.16Å; S24-C26 VanDerWaalsContact OG-N 3.1Å; S24-C26 PolarHBondContact OG-O 3.42Å; C26-K39 PolarHBondContact O-NZ 2.91Å; C26-C41 HydrophobicContact CB-CB 3.78Å; C26-C41 WeakPolarHBondContact CB-SG 3.47Å; C26-C41 VanDerWaalsContact SG-CA 3.57Å; C26-C41 WeakPolarHBondContact SG-CB 3.38Å; C26-C41 CovalentContact SG-SG 2.03Å; C26-C41 PolarHBondContact SG-SG 3.41Å
27	P	93.1	Very high	95.3	Very high	58 Å²	58	80.4 Å²	80.4	38%	0.377	41%	0.411	S	S	.	.			trans	-57.8	152.3	-179.9	25.3	-34.6	0	0	0	111.4	A25 T29 K39	A25-P27 WeakPolarHBondContact O-CD 3.43Å; P27-T29 PolarHBondContact O-N 2.89Å; P27-K39 PolarHBondContact O-NZ 2.03Å
28	L	95.7	Very high	95.1	Very high	63 Å²	63	84.9 Å²	84.9	33%	0.33	44%	0.444	S	S	.	.			trans	-72.3	125.9	173.1	-174.9	73	0	0	0	109.6	D32 V33 A56 L57 K66	L28-D32 HydrophobicContact CD1-CB 3.66Å; L28-V33 HydrophobicContact CD2-CG2 4.11Å; L28-V33 HydrophobicContact CG-CG2 4.23Å; L28-A56 HydrophobicContact CD2-CB 4.16Å; L28-A56 HydrophobicContact CG-CB 4.16Å; L28-A56 WeakPolarHBondContact O-CA 3.5Å; L28-L57 PolarHBondContact O-N 3.29Å; L28-K66 HydrophobicContact CD2-CD 4.29Å
29	T	97	Very high	94.7	Very high	39 Å²	39	85.1 Å²	85.1	24%	0.239	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-108.7	160.3	178.7	65.9	0	0	0	0	111.5	P27 K31 D32 V33 L57	P27-T29 PolarHBondContact O-N 2.89Å; T29-K31 PolarHBondContact O-N 2.04Å; T29-D32 PolarHBondContact N-OD2 3.37Å; T29-D32 WeakPolarHBondContact O-CB 3.25Å; T29-D32 PolarHBondContact O-N 3.16Å; T29-D32 PolarHBondContact OG1-N 3.21Å; T29-D32 PolarHBondContact OG1-OD2 3.08Å; T29-V33 PolarHBondContact O-N 3.45Å; T29-V33 VanDerWaalsContact O-N 3.09Å; T29-L57 CarbonylContact C-O 3.52Å; T29-L57 VanDerWaalsContact CA-O 3.3Å; T29-L57 WeakPolarHBondContact CA-O 3.2Å; T29-L57 HydrophobicContact CG2-CB 4.45Å
30	C	97.8	Very high	94.6	Very high	13 Å²	13	86.2 Å²	86.2	9%	0.088	46%	0.464	C	S	.	.	H	α-helix	trans	-61	-26.4	172.3	-77.3	0	0	0	0	112.6	D32 V33 K34 L57 C69	C30-D32 VanDerWaalsContact C-N 3.34Å; C30-V33 PolarHBondContact O-N 3.5Å; C30-K34 WeakPolarHBondContact O-CB 3.4Å; C30-K34 WeakPolarHBondContact O-CG 3.29Å; C30-K34 PolarHBondContact O-N 3.1Å; C30-L57 PolarHBondContact N-O 2.93Å; C30-C69 WeakPolarHBondContact CA-SG 3.11Å; C30-C69 HydrophobicContact CB-CB 3.63Å; C30-C69 WeakPolarHBondContact CB-SG 2.73Å; C30-C69 WeakPolarHBondContact SG-CB 3.39Å; C30-C69 CovalentContact SG-SG 2.06Å; C30-C69 PolarHBondContact SG-SG 2.93Å
31	K	96.2	Very high	94.6	Very high	154 Å²	154	86 Å²	86	67%	0.67	46%	0.464	S	S	*	.	H	α-helix	trans	-63.6	-41.2	171.5	-173.5	178.9	179.8	178.5	0	111.6	T29 V33 H35	T29-K31 PolarHBondContact O-N 2.04Å; K31-V33 VanDerWaalsContact C-N 3.32Å; K31-H35 PolarHBondContact O-N 2.95Å
32	D	95.8	Very high	94.6	Very high	41 Å²	41	81.5 Å²	81.5	22%	0.219	45%	0.451	C	S	.	.	H	α-helix	trans	-66.4	-35.8	175.7	-57.6	-38.6	0	0	0	111.7	L28 T29 C30 H35 P36 K39	L28-D32 HydrophobicContact CD1-CB 3.66Å; T29-D32 PolarHBondContact N-OD2 3.37Å; T29-D32 WeakPolarHBondContact O-CB 3.25Å; T29-D32 PolarHBondContact O-N 3.16Å; T29-D32 PolarHBondContact OG1-N 3.21Å; T29-D32 PolarHBondContact OG1-OD2 3.08Å; C30-D32 VanDerWaalsContact C-N 3.34Å; D32-H35 CarbonylContact O-C 3.51Å; D32-P36 WeakPolarHBondContact O-CA 2.92Å; D32-K39 IonicContact OD2-NZ 2.86Å; D32-K39 PolarHBondContact OD2-NZ 3.25Å
33	V	96.4	Very high	94.4	Very high	45 Å²	45	86.7 Å²	86.7	27%	0.273	47%	0.47	S	S	.	.	H	α-helix	trans	-68.2	-47.2	177.1	176.7	0	0	0	0	111.2	L28 T29 C30 K31 A56 K66 C69	L28-V33 HydrophobicContact CD2-CG2 4.11Å; L28-V33 HydrophobicContact CG-CG2 4.23Å; T29-V33 PolarHBondContact O-N 3.45Å; T29-V33 VanDerWaalsContact O-N 3.09Å; C30-V33 PolarHBondContact O-N 3.5Å; K31-V33 VanDerWaalsContact C-N 3.32Å; V33-A56 HydrophobicContact CG2-CB 3.82Å; V33-K66 HydrophobicContact CG1-CB 4.48Å; V33-K66 HydrophobicContact CG2-CG 4.14Å; V33-C69 HydrophobicContact CB-CB 4.36Å; V33-C69 HydrophobicContact CG1-CB 4.18Å
34	K	96.9	Very high	94.4	Very high	123 Å²	123	92.1 Å²	92.1	54%	0.535	49%	0.492	S	S	.	.	H	α-helix	trans	-72.7	-34	-178.9	-70.2	-179.7	-178	-173.1	0	113.4	C30 C69	C30-K34 WeakPolarHBondContact O-CB 3.4Å; C30-K34 WeakPolarHBondContact O-CG 3.29Å; C30-K34 PolarHBondContact O-N 3.1Å; K34-C69 WeakPolarHBondContact CE-O 3.2Å; K34-C69 PolarHBondContact NZ-O 3.34Å
35	H	96	Very high	94.4	Very high	117 Å²	117	92.2 Å²	92.2	54%	0.542	49%	0.492	S	S	.	.	S	Bend	trans	-130.1	76.1	-178	-55.5	104.9	0	0	0	110.2	K31 D32 R37	K31-H35 PolarHBondContact O-N 2.95Å; D32-H35 CarbonylContact O-C 3.51Å; H35-R37 PolarHBondContact O-N 2.99Å
36	P	93.7	Very high	94.5	Very high	108 Å²	108	92.6 Å²	92.6	70%	0.701	49%	0.49	S	S	*	.			trans	-60.6	113.7	179.7	-21.4	33.4	0	0	0	110.2	D32	D32-P36 WeakPolarHBondContact O-CA 2.92Å
37	R	92.6	Very high	94.6	Very high	202 Å²	202	94.5 Å²	94.5	76%	0.762	50%	0.504	S	S	*	.			trans	-134	148.9	173.4	-65.2	-172.2	-174	177	2.6	109.4	H35 K39	H35-R37 PolarHBondContact O-N 2.99Å; R37-K39 PolarHBondContact O-N 3.35Å; R37-K39 VanDerWaalsContact O-N 3.11Å
38	P	91.3	Very high	94.7	Very high	141 Å²	141	92.6 Å²	92.6	92%	0.916	50%	0.495	S	S	*	.			trans	-55.8	120.2	168.6	-22.2	33.2	0	0	0	109.3
39	K	89	Confident	94.7	Very high	94 Å²	94	91.8 Å²	91.8	41%	0.409	49%	0.494	S	S	.	.			trans	-109.8	130	171	65.4	-179	-178.6	-179.9	0	108.6	C26 P27 D32 R37 C41	C26-K39 PolarHBondContact O-NZ 2.91Å; P27-K39 PolarHBondContact O-NZ 2.03Å; D32-K39 IonicContact OD2-NZ 2.86Å; D32-K39 PolarHBondContact OD2-NZ 3.25Å; R37-K39 PolarHBondContact O-N 3.35Å; R37-K39 VanDerWaalsContact O-N 3.11Å; K39-C41 PolarHBondContact O-N 2.88Å
40	V	93	Very high	94.7	Very high	151 Å²	151	91.6 Å²	91.6	92%	0.915	49%	0.49	S	S	*	.			trans	-73	119.7	169.7	-179.7	0	0	0	0	106.9
41	C	94.9	Very high	94.7	Very high	38 Å²	38	92.4 Å²	92.4	26%	0.257	50%	0.495	S	S	.	.			trans	-125.9	146.1	171.1	-167.3	0	0	0	0	109.1	C26 K39	C26-C41 HydrophobicContact CB-CB 3.78Å; C26-C41 WeakPolarHBondContact CB-SG 3.47Å; C26-C41 VanDerWaalsContact SG-CA 3.57Å; C26-C41 WeakPolarHBondContact SG-CB 3.38Å; C26-C41 CovalentContact SG-SG 2.03Å; C26-C41 PolarHBondContact SG-SG 3.41Å; K39-C41 PolarHBondContact O-N 2.88Å
42	T	94	Very high	94.7	Very high	88 Å²	88	89.4 Å²	89.4	54%	0.54	48%	0.482	S	S	.	.			trans	-67.2	151.1	170.2	69.1	0	0	0	0	109.8	Q44	T42-Q44 PolarHBondContact O-N 2.98Å; T42-Q44 WeakPolarHBondContact OG1-CB 3.39Å; T42-Q44 PolarHBondContact OG1-N 3.29Å
43	M	91.4	Very high	94.7	Very high	194 Å²	194	92.9 Å²	92.9	96%	0.956	51%	0.51	S	S	*	.	S	Bend	trans	-78.8	13.9	169.7	-64.6	-62.3	175.8	0	0	112.2	C45	M43-C45 PolarHBondContact O-N 2.94Å
44	Q	94.7	Very high	94.8	Very high	125 Å²	125	92.4 Å²	92.4	58%	0.584	51%	0.514	S	S	*	.			trans	-70.6	126.6	177.7	-172.6	-177.5	-67	0	0	109.8	T42	T42-Q44 PolarHBondContact O-N 2.98Å; T42-Q44 WeakPolarHBondContact OG1-CB 3.39Å; T42-Q44 PolarHBondContact OG1-N 3.29Å
45	C	95.6	Very high	94.8	Very high	62 Å²	62	89.6 Å²	89.6	42%	0.419	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	140	166.6	-90.9	0	0	0	0	111.2	C22 G23 M43	C22-C45 VanDerWaalsContact CA-SG 3.54Å; C22-C45 HydrophobicContact CB-CB 3.82Å; C22-C45 WeakPolarHBondContact CB-SG 3Å; C22-C45 WeakPolarHBondContact SG-CB 3.24Å; C22-C45 CovalentContact SG-SG 2.03Å; C22-C45 PolarHBondContact SG-SG 2.03Å; G23-C45 WeakPolarHBondContact O-CA 3.04Å; M43-C45 PolarHBondContact O-N 2.94Å
46	V	95.8	Very high	94.9	Very high	51 Å²	51	84 Å²	84	31%	0.309	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.2	168.5	-57.9	0	0	0	0	109.9	G23 A25 F50	G23-V46 PolarHBondContact N-O 3.48Å; G23-V46 PolarHBondContact O-N 3.04Å; A25-V46 HydrophobicContact CB-CG1 4.28Å; V46-F50 HydrophobicContact CG2-CE1 4.24Å; V46-F50 HydrophobicContact CG2-CZ 3.71Å; V46-F50 VanDerWaalsContact O-CZ 3.29Å; V46-F50 WeakPolarHBondContact O-CZ 3.06Å
47	S	95.8	Very high	95.1	Very high	78 Å²	78	80 Å²	80	55%	0.545	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.7	174.6	56.8	0	0	0	0	110.2	V20 K21	V20-S47 WeakPolarHBondContact O-CA 3.16Å; K21-S47 WeakPolarHBondContact O-CA 3.41Å; K21-S47 WeakPolarHBondContact O-CB 3.36Å
48	G	94.5	Very high	95.4	Very high	18 Å²	18	71.8 Å²	71.8	19%	0.186	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-167.7	-179.5	0	0	0	0	0	113.5	Y19 V20 F50	Y19-G48 WeakPolarHBondContact CA-O 3.26Å; V20-G48 PolarHBondContact N-O 3.29Å; V20-G48 PolarHBondContact O-N 2.86Å; G48-F50 WeakPolarHBondContact O-CD2 3.26Å; G48-F50 VanDerWaalsContact O-CE2 3.26Å; G48-F50 WeakPolarHBondContact O-CE2 3.38Å
49	C	95.9	Very high	95.6	Very high	46 Å²	46	72.5 Å²	72.5	31%	0.311	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.3	177.3	-64.5	0	0	0	0	111.4	T12 C13 Q17 E18	T12-C49 PolarHBondContact O-SG 2.9Å; C13-C49 WeakPolarHBondContact CA-SG 3.44Å; C13-C49 HydrophobicContact CB-CB 3.64Å; C13-C49 WeakPolarHBondContact CB-SG 3.36Å; C13-C49 VanDerWaalsContact SG-CA 3.53Å; C13-C49 WeakPolarHBondContact SG-CB 3.49Å; C13-C49 CovalentContact SG-SG 2.03Å; C13-C49 PolarHBondContact SG-SG 2.88Å; Q17-C49 HydrophobicContact CB-CB 4.34Å; E18-C49 WeakPolarHBondContact O-CA 3.46Å
50	F	96.9	Very high	95.9	Very high	35 Å²	35	71.8 Å²	71.8	15%	0.154	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.1	-178.7	-62.6	-93.5	0	0	0	110.3	Q17 E18 V20 G23 S24 V46 G48 K52	Q17-F50 CarbonylContact C-O 3.52Å; Q17-F50 WeakPolarHBondContact CA-O 3.39Å; Q17-F50 WeakPolarHBondContact CB-O 3.3Å; E18-F50 PolarHBondContact N-O 2.94Å; E18-F50 PolarHBondContact O-N 3.46Å; V20-F50 HydrophobicContact CG2-CD2 3.29Å; V20-F50 HydrophobicContact CG2-CE2 3.49Å; V20-F50 VanDerWaalsContact CG2-CE2 3.49Å; V20-F50 HydrophobicContact CG2-CG 4.16Å; G23-F50 VanDerWaalsContact CA-CZ 3.46Å; S24-F50 VanDerWaalsContact O-CE1 3.26Å; S24-F50 WeakPolarHBondContact O-CE1 3.44Å; V46-F50 HydrophobicContact CG2-CE1 4.24Å; V46-F50 HydrophobicContact CG2-CZ 3.71Å; V46-F50 VanDerWaalsContact O-CZ 3.29Å; V46-F50 WeakPolarHBondContact O-CZ 3.06Å; G48-F50 WeakPolarHBondContact O-CD2 3.26Å; G48-F50 VanDerWaalsContact O-CE2 3.26Å; G48-F50 WeakPolarHBondContact O-CE2 3.38Å; F50-K52 PolarHBondContact O-N 3.39Å
51	C	98	Very high	95.9	Very high	29 Å²	29	71.9 Å²	71.9	20%	0.196	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	131.7	171.8	-62.7	0	0	0	0	109.7	C63	C51-C63 WeakPolarHBondContact CA-SG 3.5Å; C51-C63 HydrophobicContact CB-CB 3.75Å; C51-C63 WeakPolarHBondContact CB-SG 3.44Å; C51-C63 VanDerWaalsContact SG-CA 3.58Å; C51-C63 WeakPolarHBondContact SG-CB 3.31Å; C51-C63 CovalentContact SG-SG 2.04Å; C51-C63 PolarHBondContact SG-SG 3.23Å
52	K	97.3	Very high	96	Very high	91 Å²	91	77.8 Å²	77.8	40%	0.396	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-54.6	157.9	173.8	-69.9	177.6	-177.9	-177.3	0	110.6	N16 Q17 E18 F50 G54 Y55	N16-K52 WeakPolarHBondContact O-CG 3.36Å; N16-K52 PolarHBondContact O-N 2.82Å; Q17-K52 VanDerWaalsContact O-CE 3.25Å; Q17-K52 WeakPolarHBondContact O-CE 2.99Å; E18-K52 HydrophobicContact CB-CG 4.15Å; E18-K52 HydrophobicContact CG-CG 4.21Å; F50-K52 PolarHBondContact O-N 3.39Å; K52-G54 PolarHBondContact O-N 3.05Å; K52-Y55 HydrophobicContact CB-CD2 3.94Å; K52-Y55 HydrophobicContact CB-CE2 4.4Å; K52-Y55 WeakPolarHBondContact O-CB 3.47Å; K52-Y55 PolarHBondContact O-N 2.91Å
53	S	95.7	Very high	96.2	Very high	115 Å²	115	74 Å²	74	80%	0.804	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	135.8	172.3	-171.6	0	0	0	0	111.7	Y55	S53-Y55 VanDerWaalsContact C-N 3.34Å; S53-Y55 WeakPolarHBondContact O-CD2 3Å
54	G	97.3	Very high	96.6	Very high	34 Å²	34	66.1 Å²	66.1	35%	0.351	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-1	-175.2	0	0	0	0	0	115.6	K52 K66	K52-G54 PolarHBondContact O-N 3.05Å; G54-K66 VanDerWaalsContact O-CG 3.31Å; G54-K66 WeakPolarHBondContact O-CG 3.08Å; G54-K66 PolarHBondContact O-N 3.32Å
55	Y	98.5	Very high	96.7	Very high	65 Å²	65	61.6 Å²	61.6	26%	0.255	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	158.9	175.8	-66.3	-105.2	0	0	0	111.9	N16 K52 S53 C63 V64 P65	N16-Y55 HydrophobicContact CB-CD1 3.51Å; N16-Y55 HydrophobicContact CB-CE1 3.51Å; N16-Y55 HydrophobicContact CB-CG 4.1Å; N16-Y55 WeakPolarHBondContact ND2-CE1 3.45Å; K52-Y55 HydrophobicContact CB-CD2 3.94Å; K52-Y55 HydrophobicContact CB-CE2 4.4Å; K52-Y55 WeakPolarHBondContact O-CB 3.47Å; K52-Y55 PolarHBondContact O-N 2.91Å; S53-Y55 VanDerWaalsContact C-N 3.34Å; S53-Y55 WeakPolarHBondContact O-CD2 3Å; Y55-C63 HydrophobicContact CD1-CB 4.5Å; Y55-V64 CarbonylContact C-O 3.47Å; Y55-V64 WeakPolarHBondContact CA-O 3.3Å; Y55-V64 WeakPolarHBondContact CB-O 3.44Å; Y55-V64 WeakPolarHBondContact CD1-O 2.92Å; Y55-P65 HydrophobicContact CD1-CG 4.16Å; Y55-P65 VanDerWaalsContact CD1-N 3.33Å; Y55-P65 HydrophobicContact CE1-CB 4.37Å; Y55-P65 HydrophobicContact CE1-CG 3.61Å
56	A	98.1	Very high	96.8	Very high	0 Å²	0	63 Å²	63	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.5	174	0	0	0	0	0	110.9	L28 V33 C63 V64 K66	L28-A56 HydrophobicContact CD2-CB 4.16Å; L28-A56 HydrophobicContact CG-CB 4.16Å; L28-A56 WeakPolarHBondContact O-CA 3.5Å; V33-A56 HydrophobicContact CG2-CB 3.82Å; A56-C63 WeakPolarHBondContact O-CA 3.45Å; A56-V64 PolarHBondContact N-O 3.39Å; A56-V64 PolarHBondContact O-N 3.09Å; A56-K66 HydrophobicContact CB-CG 4.33Å
57	L	97.8	Very high	96.9	Very high	24 Å²	24	68.8 Å²	68.8	13%	0.126	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122	179.8	-161.5	73.2	0	0	0	110.3	L28 T29 C30 K61	L28-L57 PolarHBondContact O-N 3.29Å; T29-L57 CarbonylContact C-O 3.52Å; T29-L57 VanDerWaalsContact CA-O 3.3Å; T29-L57 WeakPolarHBondContact CA-O 3.2Å; T29-L57 HydrophobicContact CG2-CB 4.45Å; C30-L57 PolarHBondContact N-O 2.93Å; L57-K61 HydrophobicContact CD1-CB 4.4Å; L57-K61 WeakPolarHBondContact CD1-O 3.46Å; L57-K61 HydrophobicContact CD2-CD 3.68Å; L57-K61 HydrophobicContact CG-CD 4.3Å
58	N	97.2	Very high	97	Very high	29 Å²	29	69.8 Å²	69.8	16%	0.155	37%	0.366	C	S	.	.			trans	-82.7	177.6	170.5	71.4	12.3	0	0	0	112.1	S60 K61 R62 V64	N58-S60 PolarHBondContact O-N 3.21Å; N58-S60 WeakPolarHBondContact OD1-CA 3.35Å; N58-S60 WeakPolarHBondContact OD1-CB 3.2Å; N58-S60 PolarHBondContact OD1-N 3.11Å; N58-S60 VanDerWaalsContact OD1-N 3.11Å; N58-K61 PolarHBondContact O-N 3.26Å; N58-K61 PolarHBondContact OD1-N 2.85Å; N58-R62 PolarHBondContact N-O 3.23Å; N58-R62 PolarHBondContact OD1-N 2.99Å; N58-R62 PolarHBondContact OD1-O 3.01Å; N58-V64 HydrophobicContact CB-CG2 4.15Å; N58-V64 WeakPolarHBondContact ND2-CG1 3.41Å
59	D	95.7	Very high	97	Very high	155 Å²	155	71.2 Å²	71.2	83%	0.829	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.8	-178.2	-61.9	-29.4	0	0	0	112.8	K61	D59-K61 PolarHBondContact O-N 2.86Å
60	S	96.1	Very high	97.1	Very high	79 Å²	79	72.5 Å²	72.5	55%	0.552	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	12	172.3	-45.6	0	0	0	0	113.9	N58 R62	N58-S60 PolarHBondContact O-N 3.21Å; N58-S60 WeakPolarHBondContact OD1-CA 3.35Å; N58-S60 WeakPolarHBondContact OD1-CB 3.2Å; N58-S60 PolarHBondContact OD1-N 3.11Å; N58-S60 VanDerWaalsContact OD1-N 3.11Å; S60-R62 PolarHBondContact O-N 2.9Å
61	K	93.4	Very high	97.1	Very high	153 Å²	153	74.4 Å²	74.4	67%	0.665	39%	0.387	S	S	*	.	S	Bend	trans	59.7	29	-179.7	-53.6	-64.2	-178	-178.1	0	114.4	L57 N58 D59	L57-K61 HydrophobicContact CD1-CB 4.4Å; L57-K61 WeakPolarHBondContact CD1-O 3.46Å; L57-K61 HydrophobicContact CD2-CD 3.68Å; L57-K61 HydrophobicContact CG-CD 4.3Å; N58-K61 PolarHBondContact O-N 3.26Å; N58-K61 PolarHBondContact OD1-N 2.85Å; D59-K61 PolarHBondContact O-N 2.86Å
62	R	97.1	Very high	97	Very high	163 Å²	163	76.9 Å²	76.9	62%	0.615	40%	0.398	S	S	*	.			trans	-105.1	144.6	173.7	-62.9	-175.6	-70.4	-163.2	0.8	111	N58 S60 V64	N58-R62 PolarHBondContact N-O 3.23Å; N58-R62 PolarHBondContact OD1-N 2.99Å; N58-R62 PolarHBondContact OD1-O 3.01Å; S60-R62 PolarHBondContact O-N 2.9Å; R62-V64 PolarHBondContact O-N 2.06Å
63	C	98.2	Very high	97	Very high	7 Å²	7	76.1 Å²	76.1	5%	0.047	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	110.8	174.1	-65	0	0	0	0	110.1	N16 Q17 C51 Y55 A56	N16-C63 HydrophobicContact CB-CB 3.87Å; N16-C63 PolarHBondContact ND2-O 3.28Å; N16-C63 VanDerWaalsContact ND2-O 3.16Å; Q17-C63 HydrophobicContact CG-CB 4.26Å; Q17-C63 WeakPolarHBondContact CG-SG 3.46Å; C51-C63 WeakPolarHBondContact CA-SG 3.5Å; C51-C63 HydrophobicContact CB-CB 3.75Å; C51-C63 WeakPolarHBondContact CB-SG 3.44Å; C51-C63 VanDerWaalsContact SG-CA 3.58Å; C51-C63 WeakPolarHBondContact SG-CB 3.31Å; C51-C63 CovalentContact SG-SG 2.04Å; C51-C63 PolarHBondContact SG-SG 3.23Å; Y55-C63 HydrophobicContact CD1-CB 4.5Å; A56-C63 WeakPolarHBondContact O-CA 3.45Å
64	V	98.4	Very high	97.1	Very high	29 Å²	29	73.7 Å²	73.7	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150	177	-61.9	0	0	0	0	110	Y55 A56 N58 R62 K66	Y55-V64 CarbonylContact C-O 3.47Å; Y55-V64 WeakPolarHBondContact CA-O 3.3Å; Y55-V64 WeakPolarHBondContact CB-O 3.44Å; Y55-V64 WeakPolarHBondContact CD1-O 2.92Å; A56-V64 PolarHBondContact N-O 3.39Å; A56-V64 PolarHBondContact O-N 3.09Å; N58-V64 HydrophobicContact CB-CG2 4.15Å; N58-V64 WeakPolarHBondContact ND2-CG1 3.41Å; R62-V64 PolarHBondContact O-N 2.06Å; V64-K66 PolarHBondContact O-N 3.46Å
65	P	98.3	Very high	97.1	Very high	30 Å²	30	76.3 Å²	76.3	20%	0.195	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	139.7	173.4	-26	35.6	0	0	0	110.3	Y55 K67 D68 C69	Y55-P65 HydrophobicContact CD1-CG 4.16Å; Y55-P65 VanDerWaalsContact CD1-N 3.33Å; Y55-P65 HydrophobicContact CE1-CB 4.37Å; Y55-P65 HydrophobicContact CE1-CG 3.61Å; P65-K67 HydrophobicContact CB-CG 3.76Å; P65-K67 PolarHBondContact O-N 3.35Å; P65-D68 HydrophobicContact CB-CB 4.46Å; P65-D68 WeakPolarHBondContact CB-OD2 3.12Å; P65-D68 WeakPolarHBondContact CD-OD2 3.4Å; P65-D68 WeakPolarHBondContact CG-OD2 3.42Å; P65-D68 WeakPolarHBondContact O-CA 3.35Å; P65-D68 PolarHBondContact O-N 3.11Å; P65-C69 PolarHBondContact O-N 2.94Å
66	K	97.9	Very high	97	Very high	91 Å²	91	77.1 Å²	77.1	40%	0.396	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-54.8	-30.1	-179.6	-74.2	172.7	-172	-169.8	0	113.4	L28 V33 G54 A56 V64 D68 C69	L28-K66 HydrophobicContact CD2-CD 4.29Å; V33-K66 HydrophobicContact CG1-CB 4.48Å; V33-K66 HydrophobicContact CG2-CG 4.14Å; G54-K66 VanDerWaalsContact O-CG 3.31Å; G54-K66 WeakPolarHBondContact O-CG 3.08Å; G54-K66 PolarHBondContact O-N 3.32Å; A56-K66 HydrophobicContact CB-CG 4.33Å; V64-K66 PolarHBondContact O-N 3.46Å; K66-D68 PolarHBondContact O-N 2.67Å; K66-C69 WeakPolarHBondContact O-CB 3.5Å; K66-C69 PolarHBondContact O-N 3.04Å
67	K	97.4	Very high	96.9	Very high	174 Å²	174	83.1 Å²	83.1	76%	0.757	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-69.3	-19.2	175.6	59.1	163.4	-168.2	176.7	0	114.3	P65	P65-K67 HydrophobicContact CB-CG 3.76Å; P65-K67 PolarHBondContact O-N 3.35Å
68	D	97.2	Very high	96.8	Very high	99 Å²	99	88 Å²	88	53%	0.529	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-104.7	6.3	-179.8	-54.4	-25.2	0	0	0	111.2	P65 K66	P65-D68 HydrophobicContact CB-CB 4.46Å; P65-D68 WeakPolarHBondContact CB-OD2 3.12Å; P65-D68 WeakPolarHBondContact CD-OD2 3.4Å; P65-D68 WeakPolarHBondContact CG-OD2 3.42Å; P65-D68 WeakPolarHBondContact O-CA 3.35Å; P65-D68 PolarHBondContact O-N 3.11Å; K66-D68 PolarHBondContact O-N 2.67Å
69	C	95.2	Very high	96.8	Very high	47 Å²	47	93.4 Å²	93.4	32%	0.318	46%	0.462	S	S	.	.			trans	-71.2	0	152.8	-62.6	0	0	0	0	106.5	C30 V33 K34 P65 K66	C30-C69 WeakPolarHBondContact CA-SG 3.11Å; C30-C69 HydrophobicContact CB-CB 3.63Å; C30-C69 WeakPolarHBondContact CB-SG 2.73Å; C30-C69 WeakPolarHBondContact SG-CB 3.39Å; C30-C69 CovalentContact SG-SG 2.06Å; C30-C69 PolarHBondContact SG-SG 2.93Å; V33-C69 HydrophobicContact CB-CB 4.36Å; V33-C69 HydrophobicContact CG1-CB 4.18Å; K34-C69 WeakPolarHBondContact CE-O 3.2Å; K34-C69 PolarHBondContact NZ-O 3.34Å; P65-C69 PolarHBondContact O-N 2.94Å; K66-C69 WeakPolarHBondContact O-CB 3.5Å; K66-C69 PolarHBondContact O-N 3.04Å

Retrieved 69 of 69 residues in 142.8 ms (Link to these results)

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