A0A077Z7B4_TRITR Loading...

Chymotrypsin-elastase inhibitor ixodidin

AlphaFold DB , UniProt , Accession A0A077Z7B4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 90 aa.

						>A0A077Z7B4_TRITR|A0A077Z7B4
MHYELISQQMTCGPNQVYLRCGSACPATCEDVVNPKPKICTLQCVKGCFCKRGYVLDDTKNCVSRSSCLKRRKKPRTQLRLKGNPRMITV
					

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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	45.1	Very low	54.7	Low	193 Å²	193	160.1 Å²	160.1	95%	0.951	80%	0.797	S	S	*	*				0	85.8	0	-69.1	-77.7	-104.3	0	0	107.9	Y3	M1-Y3 HydrophobicContact CB-CD2 4Å; M1-Y3 HydrophobicContact CB-CE2 3.64Å; M1-Y3 HydrophobicContact CE-CE2 3.77Å; M1-Y3 WeakPolarHBondContact CE-OH 3.02Å; M1-Y3 HydrophobicContact CG-CE2 4.25Å; M1-Y3 PolarHBondContact O-N 3.35Å; M1-Y3 HydrophobicContact SD-CE2 4.06Å
2	H	51.2	Low	57.5	Low	195 Å²	195	149.3 Å²	149.3	90%	0.903	75%	0.748	S	S	*	*			trans	-78.5	107	176	-80.9	138.2	0	0	0	108.9
3	Y	59.8	Low	59.9	Low	180 Å²	180	140.4 Å²	140.4	71%	0.706	72%	0.717	S	S	*	*			trans	-116.4	41.7	173.6	-65.7	-70.4	0	0	0	112	M1	M1-Y3 HydrophobicContact CB-CD2 4Å; M1-Y3 HydrophobicContact CB-CE2 3.64Å; M1-Y3 HydrophobicContact CE-CE2 3.77Å; M1-Y3 WeakPolarHBondContact CE-OH 3.02Å; M1-Y3 HydrophobicContact CG-CE2 4.25Å; M1-Y3 PolarHBondContact O-N 3.35Å; M1-Y3 HydrophobicContact SD-CE2 4.06Å
4	E	50.2	Low	62.2	Low	189 Å²	189	137.8 Å²	137.8	88%	0.883	71%	0.714	S	S	*	*			trans	-109.3	57.8	176.4	-67.8	-107.7	143.5	0	0	110.2
5	L	53.3	Low	64.3	Low	156 Å²	156	132.3 Å²	132.3	82%	0.817	69%	0.686	S	S	*	*			trans	-146.1	136.9	160.1	-75.5	170.5	0	0	0	105.4
6	I	52.8	Low	66.2	Low	158 Å²	158	126.8 Å²	126.8	81%	0.81	66%	0.656	S	S	*	*			trans	100	74.9	177.6	-43.6	149.3	0	0	0	114.3
7	S	50.9	Low	67.7	Low	116 Å²	116	122.8 Å²	122.8	81%	0.811	64%	0.639	S	S	*	*			trans	-109.8	29.6	151.4	-147	0	0	0	0	112.1	Q9	S7-Q9 PolarHBondContact O-N 3.09Å; S7-Q9 VanDerWaalsContact O-N 3.09Å
8	Q	51.1	Low	69.1	Low	183 Å²	183	120.3 Å²	120.3	86%	0.855	62%	0.62	S	S	*	*			trans	-78.8	50.3	157.3	-78.3	-170	25.7	0	0	110.1	M10	Q8-M10 PolarHBondContact O-N 3.44Å
9	Q	52	Low	70.3	Confident	148 Å²	148	117.6 Å²	117.6	69%	0.692	61%	0.606	S	S	*	*			trans	-62.1	122.8	162.7	-148.8	102	24.9	0	0	105.9	S7 T11	S7-Q9 PolarHBondContact O-N 3.09Å; S7-Q9 VanDerWaalsContact O-N 3.09Å; Q9-T11 PolarHBondContact O-N 3.1Å; Q9-T11 PolarHBondContact O-OG1 3.09Å; Q9-T11 VanDerWaalsContact O-OG1 3.09Å
10	M	59.5	Low	71.4	Confident	122 Å²	122	123 Å²	123	60%	0.601	62%	0.619	S	S	*	*			trans	-55.6	63.2	-172.4	-61.9	163	53.6	0	0	114.2	Q8 Y18	Q8-M10 PolarHBondContact O-N 3.44Å; M10-Y18 HydrophobicContact CB-CD2 4.26Å; M10-Y18 HydrophobicContact CB-CG 4.49Å; M10-Y18 HydrophobicContact CE-CD1 3.11Å; M10-Y18 HydrophobicContact CE-CD2 3.9Å; M10-Y18 HydrophobicContact CE-CE1 3.2Å; M10-Y18 HydrophobicContact CE-CE2 3.96Å; M10-Y18 HydrophobicContact CE-CG 3.47Å; M10-Y18 VanDerWaalsContact CE-CG 3.47Å; M10-Y18 HydrophobicContact CG-CD2 4.43Å; M10-Y18 HydrophobicContact CG-CE2 4.32Å
11	T	76.1	Confident	72.5	Confident	121 Å²	121	121 Å²	121	74%	0.742	62%	0.615	S	S	*	*			trans	-102.3	101.8	179.3	50.9	0	0	0	0	106.5	Q9	Q9-T11 PolarHBondContact O-N 3.1Å; Q9-T11 PolarHBondContact O-OG1 3.09Å; Q9-T11 VanDerWaalsContact O-OG1 3.09Å
12	C	88	Confident	74.7	Confident	31 Å²	31	112.2 Å²	112.2	21%	0.209	57%	0.574	C	S	.	*			trans	-71	155.9	172.3	-61.7	0	0	0	0	110.3	Q16 V17 Y18 C48	C12-Q16 HydrophobicContact CB-CB 3.47Å; C12-Q16 VanDerWaalsContact CB-CB 3.47Å; C12-V17 VanDerWaalsContact SG-C 3.54Å; C12-Y18 WeakPolarHBondContact SG-CA 3.31Å; C12-Y18 VanDerWaalsContact SG-CB 3.56Å; C12-Y18 PolarHBondContact SG-N 2.61Å; C12-C48 WeakPolarHBondContact CA-SG 3.38Å; C12-C48 HydrophobicContact CB-CB 3.68Å; C12-C48 WeakPolarHBondContact CB-SG 3.47Å; C12-C48 VanDerWaalsContact SG-CA 3.51Å; C12-C48 WeakPolarHBondContact SG-CB 3.37Å; C12-C48 CovalentContact SG-SG 2.03Å; C12-C48 PolarHBondContact SG-SG 3.46Å
13	G	89.3	Confident	76.8	Confident	33 Å²	33	105.8 Å²	105.8	34%	0.34	55%	0.551	S	S	.	*			trans	-64.5	-179.7	176.6	0	0	0	0	0	113.2	N15 Q16	G13-N15 PolarHBondContact O-N 3.15Å; G13-Q16 WeakPolarHBondContact O-CB 3.43Å; G13-Q16 PolarHBondContact O-N 3.21Å; G13-Q16 VanDerWaalsContact O-N 3.14Å
14	P	91.4	Very high	78.4	Confident	104 Å²	104	99.1 Å²	99.1	68%	0.675	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	139.2	176	24.2	-33.7	0	0	0	111.2	Q16	P14-Q16 PolarHBondContact O-N 2.71Å; P14-Q16 VanDerWaalsContact O-N 3.16Å
15	N	93.6	Very high	80.5	Confident	55 Å²	55	91.2 Å²	91.2	29%	0.294	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	20.9	-178.6	-52.1	-46.1	0	0	0	115.4	G13 K51 Y54 C62	G13-N15 PolarHBondContact O-N 3.15Å; N15-K51 WeakPolarHBondContact O-CG 3.4Å; N15-K51 PolarHBondContact O-N 3.22Å; N15-Y54 HydrophobicContact CB-CD1 3.5Å; N15-Y54 VanDerWaalsContact CB-CD1 3.5Å; N15-Y54 HydrophobicContact CB-CD2 4.32Å; N15-Y54 HydrophobicContact CB-CE1 3.64Å; N15-Y54 HydrophobicContact CB-CE2 4.42Å; N15-Y54 HydrophobicContact CB-CG 3.88Å; N15-Y54 WeakPolarHBondContact ND2-CE1 3Å; N15-C62 HydrophobicContact CB-CB 3.89Å; N15-C62 PolarHBondContact ND2-O 3.1Å
16	Q	94.2	Very high	82.4	Confident	45 Å²	45	86.3 Å²	86.3	21%	0.21	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	159.6	173	-67.9	174	-16.9	0	0	111.5	C12 G13 P14 C48 F49 K51 C62	C12-Q16 HydrophobicContact CB-CB 3.47Å; C12-Q16 VanDerWaalsContact CB-CB 3.47Å; G13-Q16 WeakPolarHBondContact O-CB 3.43Å; G13-Q16 PolarHBondContact O-N 3.21Å; G13-Q16 VanDerWaalsContact O-N 3.14Å; P14-Q16 PolarHBondContact O-N 2.71Å; P14-Q16 VanDerWaalsContact O-N 3.16Å; Q16-C48 HydrophobicContact CB-CB 4.36Å; Q16-F49 CarbonylContact C-O 3.52Å; Q16-F49 WeakPolarHBondContact CA-O 3.36Å; Q16-K51 VanDerWaalsContact O-CE 3.26Å; Q16-K51 WeakPolarHBondContact O-CE 3.01Å; Q16-C62 HydrophobicContact CG-CB 4.09Å; Q16-C62 WeakPolarHBondContact CG-SG 3.36Å
17	V	92.9	Very high	84.3	Confident	59 Å²	59	80.9 Å²	80.9	36%	0.358	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.9	174	58.8	0	0	0	0	108.6	C12 L19 F49 K51	C12-V17 VanDerWaalsContact SG-C 3.54Å; V17-L19 HydrophobicContact CG1-CD1 4.49Å; V17-L19 HydrophobicContact CG1-CD2 4.24Å; V17-L19 HydrophobicContact CG1-CG 4.21Å; V17-L19 HydrophobicContact CG2-CD2 4.21Å; V17-F49 PolarHBondContact N-O 2.83Å; V17-F49 PolarHBondContact O-N 2.93Å; V17-K51 HydrophobicContact CB-CG 4.33Å; V17-K51 HydrophobicContact CG1-CG 4.37Å
18	Y	92.8	Very high	86.4	Confident	78 Å²	78	77.2 Å²	77.2	31%	0.306	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.2	175	-171	-82.6	0	0	0	109.2	M10 C12 G47	M10-Y18 HydrophobicContact CB-CD2 4.26Å; M10-Y18 HydrophobicContact CB-CG 4.49Å; M10-Y18 HydrophobicContact CE-CD1 3.11Å; M10-Y18 HydrophobicContact CE-CD2 3.9Å; M10-Y18 HydrophobicContact CE-CE1 3.2Å; M10-Y18 HydrophobicContact CE-CE2 3.96Å; M10-Y18 HydrophobicContact CE-CG 3.47Å; M10-Y18 VanDerWaalsContact CE-CG 3.47Å; M10-Y18 HydrophobicContact CG-CD2 4.43Å; M10-Y18 HydrophobicContact CG-CE2 4.32Å; C12-Y18 WeakPolarHBondContact SG-CA 3.31Å; C12-Y18 VanDerWaalsContact SG-CB 3.56Å; C12-Y18 PolarHBondContact SG-N 2.61Å; Y18-G47 CarbonylContact C-O 3.59Å; Y18-G47 WeakPolarHBondContact CA-O 2.87Å
19	L	92.3	Very high	88.4	Confident	68 Å²	68	69.1 Å²	69.1	36%	0.356	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.8	173.4	-55.9	175.1	0	0	0	109.6	V17 C21 K46 G47 F49	V17-L19 HydrophobicContact CG1-CD1 4.49Å; V17-L19 HydrophobicContact CG1-CD2 4.24Å; V17-L19 HydrophobicContact CG1-CG 4.21Å; V17-L19 HydrophobicContact CG2-CD2 4.21Å; L19-C21 PolarHBondContact O-N 3.08Å; L19-K46 WeakPolarHBondContact O-CA 3.23Å; L19-G47 PolarHBondContact N-O 3.26Å; L19-G47 PolarHBondContact O-N 3Å; L19-F49 HydrophobicContact CB-CD2 3.64Å; L19-F49 HydrophobicContact CB-CE2 3.81Å; L19-F49 HydrophobicContact CD1-CB 4.17Å; L19-F49 HydrophobicContact CD1-CD2 3.78Å; L19-F49 HydrophobicContact CD1-CG 4.14Å; L19-F49 HydrophobicContact CG-CD2 3.82Å; L19-F49 HydrophobicContact CG-CE2 4.49Å
20	R	91.8	Very high	90.3	Very high	226 Å²	226	65.5 Å²	65.5	85%	0.853	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	-25.4	168.2	-66.5	-174.9	179.2	-176.3	0	111.6
21	C	93.2	Very high	91.9	Very high	80 Å²	80	61.8 Å²	61.8	54%	0.541	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	101.1	178.1	-167.1	0	0	0	0	110.9	L19 C44	L19-C21 PolarHBondContact O-N 3.08Å; C21-C44 WeakPolarHBondContact CA-SG 3.5Å; C21-C44 HydrophobicContact CB-CB 4.4Å; C21-C44 WeakPolarHBondContact CB-SG 3.41Å; C21-C44 WeakPolarHBondContact SG-CB 3.33Å; C21-C44 CovalentContact SG-SG 2.01Å; C21-C44 PolarHBondContact SG-SG 2.85Å
22	G	92.7	Very high	92.6	Very high	9 Å²	9	57.2 Å²	57.2	9%	0.093	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	165.4	169.1	0	0	0	0	0	111.3	A24 V45 F49	G22-A24 PolarHBondContact O-N 2.91Å; G22-V45 PolarHBondContact N-O 2.63Å; G22-V45 PolarHBondContact O-N 3.49Å; G22-F49 VanDerWaalsContact CA-CZ 3.47Å
23	S	93.9	Very high	92.8	Very high	60 Å²	60	58 Å²	58	42%	0.42	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	131.3	177.7	176.4	0	0	0	0	110.8	C25 F49	S23-C25 PolarHBondContact O-N 3.08Å; S23-C25 VanDerWaalsContact O-N 3.11Å; S23-C25 WeakPolarHBondContact OG-CA 3.22Å; S23-C25 PolarHBondContact OG-N 3.35Å; S23-C25 PolarHBondContact OG-O 2.93Å; S23-F49 WeakPolarHBondContact O-CE1 3.09Å
24	A	94.2	Very high	92.8	Very high	40 Å²	40	59.1 Å²	59.1	33%	0.331	33%	0.331	S	S	.	.	S	Bend	trans	-64.1	-8.8	168	0	0	0	0	0	113.2	G22 P26 Q43 V45	G22-A24 PolarHBondContact O-N 2.91Å; A24-P26 WeakPolarHBondContact O-CD 3.37Å; A24-Q43 HydrophobicContact CB-CB 4.14Å; A24-Q43 HydrophobicContact CB-CG 4.46Å; A24-Q43 PolarHBondContact N-O 2.89Å; A24-V45 HydrophobicContact CB-CG1 4.1Å; A24-V45 HydrophobicContact CB-CG2 4.07Å
25	C	94	Very high	92.7	Very high	24 Å²	24	59.4 Å²	59.4	16%	0.162	33%	0.333	C	S	.	.	S	Bend	trans	-120.4	76	-174.9	-160.7	0	0	0	0	109.6	S23 K38 C40	S23-C25 PolarHBondContact O-N 3.08Å; S23-C25 VanDerWaalsContact O-N 3.11Å; S23-C25 WeakPolarHBondContact OG-CA 3.22Å; S23-C25 PolarHBondContact OG-N 3.35Å; S23-C25 PolarHBondContact OG-O 2.93Å; C25-K38 VanDerWaalsContact SG-CD 3.55Å; C25-K38 WeakPolarHBondContact SG-CE 3.46Å; C25-C40 HydrophobicContact CB-CB 3.39Å; C25-C40 WeakPolarHBondContact CB-SG 3.16Å; C25-C40 WeakPolarHBondContact SG-CB 3.26Å; C25-C40 CovalentContact SG-SG 2.05Å; C25-C40 PolarHBondContact SG-SG 2.81Å
26	P	92.9	Very high	92.5	Very high	53 Å²	53	63.4 Å²	63.4	34%	0.344	35%	0.347	S	S	.	.			trans	-66.4	149.4	-178.5	28.2	-35.2	0	0	0	111.2	A24 K38 L56	A24-P26 WeakPolarHBondContact O-CD 3.37Å; P26-K38 PolarHBondContact O-NZ 2.9Å; P26-L56 HydrophobicContact CB-CD1 3.65Å; P26-L56 HydrophobicContact CB-CG 4.48Å; P26-L56 HydrophobicContact CG-CD1 3.57Å
27	A	93.5	Very high	92.3	Very high	44 Å²	44	67.7 Å²	67.7	36%	0.364	38%	0.379	S	S	.	.			trans	-74.4	135.6	171.7	0	0	0	0	0	110.2	V55 L56	A27-V55 HydrophobicContact CB-CB 4.47Å; A27-V55 HydrophobicContact CB-CG1 3.77Å; A27-V55 WeakPolarHBondContact O-CA 3.35Å; A27-V55 WeakPolarHBondContact O-CB 3.29Å; A27-L56 PolarHBondContact O-N 2.69Å
28	T	94.6	Very high	92.2	Very high	39 Å²	39	69.7 Å²	69.7	24%	0.239	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-115.9	167.7	-177.1	66.7	0	0	0	0	110.9	E30 D31 V32 L56	T28-E30 PolarHBondContact O-N 2.03Å; T28-E30 PolarHBondContact OG1-N 2.88Å; T28-D31 WeakPolarHBondContact CA-OD2 3.18Å; T28-D31 WeakPolarHBondContact CB-OD2 3.26Å; T28-D31 PolarHBondContact N-OD2 2.89Å; T28-D31 WeakPolarHBondContact O-CB 3.49Å; T28-D31 PolarHBondContact O-N 3.06Å; T28-D31 PolarHBondContact OG1-N 3.05Å; T28-D31 PolarHBondContact OG1-OD2 2.9Å; T28-V32 PolarHBondContact O-N 3.19Å; T28-L56 CarbonylContact C-O 3.38Å; T28-L56 WeakPolarHBondContact CA-O 3.48Å; T28-L56 HydrophobicContact CG2-CB 4.4Å
29	C	94.1	Very high	92.2	Very high	13 Å²	13	74.4 Å²	74.4	9%	0.088	41%	0.411	C	S	.	.	H	α-helix	trans	-60	-30.9	171.5	-83.3	0	0	0	0	112.6	D31 V32 V33 L56 V63 C68	C29-D31 VanDerWaalsContact C-N 3.34Å; C29-V32 WeakPolarHBondContact O-CB 3.49Å; C29-V32 PolarHBondContact O-N 2.94Å; C29-V33 VanDerWaalsContact O-CG2 3.31Å; C29-V33 WeakPolarHBondContact O-CG2 3.37Å; C29-V33 PolarHBondContact O-N 3.14Å; C29-L56 PolarHBondContact N-O 3.37Å; C29-V63 VanDerWaalsContact SG-CG2 3.58Å; C29-C68 WeakPolarHBondContact CA-SG 2.99Å; C29-C68 HydrophobicContact CB-CB 3.59Å; C29-C68 WeakPolarHBondContact CB-SG 3.12Å; C29-C68 WeakPolarHBondContact SG-CB 3.47Å; C29-C68 CovalentContact SG-SG 2.04Å; C29-C68 PolarHBondContact SG-SG 3.41Å
30	E	91.6	Very high	92.3	Very high	72 Å²	72	74 Å²	74	34%	0.336	41%	0.413	S	S	.	.	H	α-helix	trans	-65.8	-39.3	175.8	-173.5	62.6	-158.4	0	0	110.8	T28 V32 V33 N34 R72	T28-E30 PolarHBondContact O-N 2.03Å; T28-E30 PolarHBondContact OG1-N 2.88Å; E30-V32 PolarHBondContact O-N 3.26Å; E30-V33 PolarHBondContact O-N 3.27Å; E30-N34 CarbonylContact O-C 3.56Å; E30-N34 WeakPolarHBondContact O-CA 3.05Å; E30-N34 PolarHBondContact O-N 3.41Å; E30-N34 WeakPolarHBondContact OE1-CB 3.45Å; E30-N34 PolarHBondContact OE1-ND2 3.24Å; E30-R72 IonicContact OE2-CZ 3.69Å; E30-R72 IonicContact OE2-NH1 3.83Å; E30-R72 IonicContact OE2-NH2 2.9Å; E30-R72 PolarHBondContact OE2-NH2 3.37Å
31	D	92.6	Very high	92.4	Very high	43 Å²	43	67.4 Å²	67.4	23%	0.23	40%	0.399	C	S	.	.	H	α-helix	trans	-63.5	-24.2	175	-56	-62.5	0	0	0	112.5	T28 C29 K38	T28-D31 WeakPolarHBondContact CA-OD2 3.18Å; T28-D31 WeakPolarHBondContact CB-OD2 3.26Å; T28-D31 PolarHBondContact N-OD2 2.89Å; T28-D31 WeakPolarHBondContact O-CB 3.49Å; T28-D31 PolarHBondContact O-N 3.06Å; T28-D31 PolarHBondContact OG1-N 3.05Å; T28-D31 PolarHBondContact OG1-OD2 2.9Å; C29-D31 VanDerWaalsContact C-N 3.34Å; D31-K38 IonicContact OD2-NZ 3.84Å
32	V	91.6	Very high	92.4	Very high	25 Å²	25	72.5 Å²	72.5	15%	0.152	42%	0.42	C	S	.	.	H	α-helix	trans	-83.6	-43.4	176.2	179.1	0	0	0	0	111.8	T28 C29 E30 V55 R65 C68 L69	T28-V32 PolarHBondContact O-N 3.19Å; C29-V32 WeakPolarHBondContact O-CB 3.49Å; C29-V32 PolarHBondContact O-N 2.94Å; E30-V32 PolarHBondContact O-N 3.26Å; V32-V55 HydrophobicContact CG2-CB 4.4Å; V32-V55 HydrophobicContact CG2-CG1 3.88Å; V32-V55 HydrophobicContact CG2-CG2 3.9Å; V32-R65 HydrophobicContact CG1-CB 4.17Å; V32-R65 HydrophobicContact CG2-CB 4.24Å; V32-R65 HydrophobicContact CG2-CG 3.93Å; V32-C68 HydrophobicContact CB-CB 4.38Å; V32-C68 HydrophobicContact CG1-CB 4.36Å; V32-L69 HydrophobicContact CG1-CD2 4.3Å; V32-L69 HydrophobicContact CG1-CG 4.4Å
33	V	90.8	Very high	92.5	Very high	48 Å²	48	77.6 Å²	77.6	29%	0.291	44%	0.441	S	S	.	.	H	α-helix	trans	-76.7	-35	-176.1	173.8	0	0	0	0	111.2	C29 E30 C68 L69 R72	C29-V33 VanDerWaalsContact O-CG2 3.31Å; C29-V33 WeakPolarHBondContact O-CG2 3.37Å; C29-V33 PolarHBondContact O-N 3.14Å; E30-V33 PolarHBondContact O-N 3.27Å; V33-C68 HydrophobicContact CG2-CB 4.34Å; V33-L69 HydrophobicContact CG2-CD2 4.26Å; V33-R72 HydrophobicContact CG1-CG 4.15Å; V33-R72 HydrophobicContact CG2-CG 4.19Å
34	N	90	Very high	92.6	Very high	57 Å²	57	77.9 Å²	77.9	31%	0.305	44%	0.442	S	S	.	.	S	Bend	trans	-134	77.3	-173.9	-171.7	19.5	0	0	0	109.1	E30 K36	E30-N34 CarbonylContact O-C 3.56Å; E30-N34 WeakPolarHBondContact O-CA 3.05Å; E30-N34 PolarHBondContact O-N 3.41Å; E30-N34 WeakPolarHBondContact OE1-CB 3.45Å; E30-N34 PolarHBondContact OE1-ND2 3.24Å; N34-K36 VanDerWaalsContact ND2-CE 3.3Å; N34-K36 WeakPolarHBondContact ND2-CE 3.29Å; N34-K36 PolarHBondContact ND2-NZ 2.92Å; N34-K36 PolarHBondContact O-N 3.16Å; N34-K36 WeakPolarHBondContact OD1-CE 3.08Å
35	P	90.3	Very high	92.6	Very high	110 Å²	110	78.1 Å²	78.1	71%	0.714	44%	0.44	S	S	*	.			trans	-66.4	96.9	-175.6	27	-34.1	0	0	0	110.1
36	K	89.7	Confident	92.6	Very high	139 Å²	139	85 Å²	85	60%	0.604	47%	0.467	S	S	*	.			trans	-113.4	148.4	174.8	-71.1	179.8	175.1	176.8	0	109.9	N34 K38	N34-K36 VanDerWaalsContact ND2-CE 3.3Å; N34-K36 WeakPolarHBondContact ND2-CE 3.29Å; N34-K36 PolarHBondContact ND2-NZ 2.92Å; N34-K36 PolarHBondContact O-N 3.16Å; N34-K36 WeakPolarHBondContact OD1-CE 3.08Å; K36-K38 PolarHBondContact O-N 2.78Å; K36-K38 VanDerWaalsContact O-N 3.15Å
37	P	89.7	Confident	92.5	Very high	135 Å²	135	83.3 Å²	83.3	88%	0.877	46%	0.459	S	S	*	.			trans	-56.9	121.3	169.4	-21.6	32.7	0	0	0	109.7
38	K	89.8	Confident	92.6	Very high	100 Å²	100	83.9 Å²	83.9	44%	0.435	46%	0.46	S	S	.	.			trans	-106.6	126.4	174.4	-170.4	177.9	-173.8	179.4	0	108.1	C25 P26 D31 K36 C40	C25-K38 VanDerWaalsContact SG-CD 3.55Å; C25-K38 WeakPolarHBondContact SG-CE 3.46Å; P26-K38 PolarHBondContact O-NZ 2.9Å; D31-K38 IonicContact OD2-NZ 3.84Å; K36-K38 PolarHBondContact O-N 2.78Å; K36-K38 VanDerWaalsContact O-N 3.15Å; K38-C40 PolarHBondContact O-N 2.04Å
39	I	92.9	Very high	92.6	Very high	177 Å²	177	83.5 Å²	83.5	91%	0.908	46%	0.455	S	S	*	.			trans	-78	110.1	172.9	-58	171	0	0	0	106.6
40	C	94.1	Very high	92.6	Very high	59 Å²	59	84.4 Å²	84.4	40%	0.399	46%	0.461	S	S	.	.			trans	-115.9	139.5	176.7	-62.3	0	0	0	0	108.9	C25 K38	C25-C40 HydrophobicContact CB-CB 3.39Å; C25-C40 WeakPolarHBondContact CB-SG 3.16Å; C25-C40 WeakPolarHBondContact SG-CB 3.26Å; C25-C40 CovalentContact SG-SG 2.05Å; C25-C40 PolarHBondContact SG-SG 2.81Å; K38-C40 PolarHBondContact O-N 2.04Å
41	T	94.6	Very high	92.8	Very high	89 Å²	89	85.8 Å²	85.8	55%	0.546	47%	0.466	S	S	.	.			trans	-72	155.7	168.9	58.5	0	0	0	0	109.9	Q43	T41-Q43 PolarHBondContact O-N 2.88Å; T41-Q43 VanDerWaalsContact O-N 3.13Å; T41-Q43 WeakPolarHBondContact OG1-CB 3.47Å
42	L	92.8	Very high	92.8	Very high	186 Å²	186	96 Å²	96	97%	0.974	50%	0.501	S	S	*	.			trans	-78.5	19.4	169.7	-62.8	178.4	0	0	0	112.2	C44	L42-C44 PolarHBondContact O-N 3.11Å
43	Q	95.5	Very high	92.9	Very high	116 Å²	116	96.8 Å²	96.8	54%	0.542	51%	0.514	S	S	.	.			trans	-69	127	-178.2	-175.1	-176.1	-13.1	0	0	110.4	A24 T41 V45	A24-Q43 HydrophobicContact CB-CB 4.14Å; A24-Q43 HydrophobicContact CB-CG 4.46Å; A24-Q43 PolarHBondContact N-O 2.89Å; T41-Q43 PolarHBondContact O-N 2.88Å; T41-Q43 VanDerWaalsContact O-N 3.13Å; T41-Q43 WeakPolarHBondContact OG1-CB 3.47Å; Q43-V45 HydrophobicContact CG-CG1 4.28Å
44	C	94.6	Very high	93.2	Very high	67 Å²	67	98.3 Å²	98.3	45%	0.453	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	126.8	173.1	172.8	0	0	0	0	110.3	C21 L42	C21-C44 WeakPolarHBondContact CA-SG 3.5Å; C21-C44 HydrophobicContact CB-CB 4.4Å; C21-C44 WeakPolarHBondContact CB-SG 3.41Å; C21-C44 WeakPolarHBondContact SG-CB 3.33Å; C21-C44 CovalentContact SG-SG 2.01Å; C21-C44 PolarHBondContact SG-SG 2.85Å; L42-C44 PolarHBondContact O-N 3.11Å
45	V	94.7	Very high	93.4	Very high	45 Å²	45	95.6 Å²	95.6	27%	0.273	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.7	175.1	-68.7	0	0	0	0	111	G22 A24 Q43 F49	G22-V45 PolarHBondContact N-O 2.63Å; G22-V45 PolarHBondContact O-N 3.49Å; A24-V45 HydrophobicContact CB-CG1 4.1Å; A24-V45 HydrophobicContact CB-CG2 4.07Å; Q43-V45 HydrophobicContact CG-CG1 4.28Å; V45-F49 HydrophobicContact CG2-CE1 4.08Å; V45-F49 HydrophobicContact CG2-CZ 3.93Å; V45-F49 VanDerWaalsContact O-CZ 3.23Å; V45-F49 WeakPolarHBondContact O-CZ 3.37Å
46	K	93.5	Very high	93.7	Very high	168 Å²	168	92 Å²	92	73%	0.73	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.5	174.7	63.1	-177.4	-179.4	179.4	0	110.3	L19	L19-K46 WeakPolarHBondContact O-CA 3.23Å
47	G	92.6	Very high	93.8	Very high	18 Å²	18	85.9 Å²	85.9	19%	0.186	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158	-164.3	178.8	0	0	0	0	0	114.5	Y18 L19 F49	Y18-G47 CarbonylContact C-O 3.59Å; Y18-G47 WeakPolarHBondContact CA-O 2.87Å; L19-G47 PolarHBondContact N-O 3.26Å; L19-G47 PolarHBondContact O-N 3Å; G47-F49 VanDerWaalsContact C-CE2 3.43Å; G47-F49 WeakPolarHBondContact O-CD2 3.21Å; G47-F49 WeakPolarHBondContact O-CE2 2.99Å
48	C	93.9	Very high	93.8	Very high	55 Å²	55	86.5 Å²	86.5	37%	0.372	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128	176.2	-68.5	0	0	0	0	111.1	C12 Q16	C12-C48 WeakPolarHBondContact CA-SG 3.38Å; C12-C48 HydrophobicContact CB-CB 3.68Å; C12-C48 WeakPolarHBondContact CB-SG 3.47Å; C12-C48 VanDerWaalsContact SG-CA 3.51Å; C12-C48 WeakPolarHBondContact SG-CB 3.37Å; C12-C48 CovalentContact SG-SG 2.03Å; C12-C48 PolarHBondContact SG-SG 3.46Å; Q16-C48 HydrophobicContact CB-CB 4.36Å
49	F	94.6	Very high	93.8	Very high	32 Å²	32	86.1 Å²	86.1	14%	0.14	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.6	-178.6	-57.7	-88	0	0	0	110.4	Q16 V17 L19 G22 S23 V45 G47 K51	Q16-F49 CarbonylContact C-O 3.52Å; Q16-F49 WeakPolarHBondContact CA-O 3.36Å; V17-F49 PolarHBondContact N-O 2.83Å; V17-F49 PolarHBondContact O-N 2.93Å; L19-F49 HydrophobicContact CB-CD2 3.64Å; L19-F49 HydrophobicContact CB-CE2 3.81Å; L19-F49 HydrophobicContact CD1-CB 4.17Å; L19-F49 HydrophobicContact CD1-CD2 3.78Å; L19-F49 HydrophobicContact CD1-CG 4.14Å; L19-F49 HydrophobicContact CG-CD2 3.82Å; L19-F49 HydrophobicContact CG-CE2 4.49Å; G22-F49 VanDerWaalsContact CA-CZ 3.47Å; S23-F49 WeakPolarHBondContact O-CE1 3.09Å; V45-F49 HydrophobicContact CG2-CE1 4.08Å; V45-F49 HydrophobicContact CG2-CZ 3.93Å; V45-F49 VanDerWaalsContact O-CZ 3.23Å; V45-F49 WeakPolarHBondContact O-CZ 3.37Å; G47-F49 VanDerWaalsContact C-CE2 3.43Å; G47-F49 WeakPolarHBondContact O-CD2 3.21Å; G47-F49 WeakPolarHBondContact O-CE2 2.99Å; F49-K51 PolarHBondContact O-N 2.01Å
50	C	95.7	Very high	93.7	Very high	31 Å²	31	85.6 Å²	85.6	21%	0.209	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	135.3	173.7	-62	0	0	0	0	110.7	Y54 C62	C50-Y54 WeakPolarHBondContact CB-O 3.07Å; C50-C62 WeakPolarHBondContact CA-SG 3.4Å; C50-C62 HydrophobicContact CB-CB 3.8Å; C50-C62 WeakPolarHBondContact CB-SG 3.45Å; C50-C62 VanDerWaalsContact SG-CA 3.58Å; C50-C62 WeakPolarHBondContact SG-CB 3.31Å; C50-C62 CovalentContact SG-SG 2.04Å; C50-C62 PolarHBondContact SG-SG 2.86Å
51	K	95.1	Very high	93.6	Very high	102 Å²	102	86.8 Å²	86.8	44%	0.443	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-57	156.9	171.7	-69.1	178.6	-174.8	-178.6	0	110	N15 Q16 V17 F49 G53 Y54	N15-K51 WeakPolarHBondContact O-CG 3.4Å; N15-K51 PolarHBondContact O-N 3.22Å; Q16-K51 VanDerWaalsContact O-CE 3.26Å; Q16-K51 WeakPolarHBondContact O-CE 3.01Å; V17-K51 HydrophobicContact CB-CG 4.33Å; V17-K51 HydrophobicContact CG1-CG 4.37Å; F49-K51 PolarHBondContact O-N 2.01Å; K51-G53 PolarHBondContact O-N 3.35Å; K51-Y54 HydrophobicContact CB-CD2 3.94Å; K51-Y54 HydrophobicContact CB-CE2 4.47Å; K51-Y54 WeakPolarHBondContact O-CB 3.28Å; K51-Y54 PolarHBondContact O-N 3.42Å
52	R	93.3	Very high	93.7	Very high	256 Å²	256	82.9 Å²	82.9	97%	0.966	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	129.9	176	-173.3	178.2	177.9	-178.8	-0.1	110.4
53	G	93.5	Very high	93.8	Very high	42 Å²	42	75.1 Å²	75.1	43%	0.433	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-5.8	-176.5	0	0	0	0	0	115.2	K51 R65	K51-G53 PolarHBondContact O-N 3.35Å; G53-R65 WeakPolarHBondContact O-CG 3.37Å; G53-R65 PolarHBondContact O-N 3.26Å
54	Y	96.1	Very high	93.8	Very high	80 Å²	80	71.5 Å²	71.5	31%	0.314	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	150.4	173.6	-64.7	-99.7	0	0	0	111.1	N15 C50 K51 V63	N15-Y54 HydrophobicContact CB-CD1 3.5Å; N15-Y54 VanDerWaalsContact CB-CD1 3.5Å; N15-Y54 HydrophobicContact CB-CD2 4.32Å; N15-Y54 HydrophobicContact CB-CE1 3.64Å; N15-Y54 HydrophobicContact CB-CE2 4.42Å; N15-Y54 HydrophobicContact CB-CG 3.88Å; N15-Y54 WeakPolarHBondContact ND2-CE1 3Å; C50-Y54 WeakPolarHBondContact CB-O 3.07Å; K51-Y54 HydrophobicContact CB-CD2 3.94Å; K51-Y54 HydrophobicContact CB-CE2 4.47Å; K51-Y54 WeakPolarHBondContact O-CB 3.28Å; K51-Y54 PolarHBondContact O-N 3.42Å; Y54-V63 CarbonylContact C-O 3.44Å; Y54-V63 VanDerWaalsContact CA-O 3.23Å; Y54-V63 WeakPolarHBondContact CA-O 3.38Å; Y54-V63 VanDerWaalsContact CD1-C 3.44Å
55	V	95.4	Very high	93.7	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.8	178.6	-63.6	0	0	0	0	109.7	A27 V32 C62 V63 R65 C68	A27-V55 HydrophobicContact CB-CB 4.47Å; A27-V55 HydrophobicContact CB-CG1 3.77Å; A27-V55 WeakPolarHBondContact O-CA 3.35Å; A27-V55 WeakPolarHBondContact O-CB 3.29Å; V32-V55 HydrophobicContact CG2-CB 4.4Å; V32-V55 HydrophobicContact CG2-CG1 3.88Å; V32-V55 HydrophobicContact CG2-CG2 3.9Å; V55-C62 WeakPolarHBondContact O-CA 3.49Å; V55-V63 HydrophobicContact CG2-CG2 4.47Å; V55-V63 PolarHBondContact N-O 2.96Å; V55-V63 PolarHBondContact O-N 2.9Å; V55-R65 HydrophobicContact CG1-CG 3.86Å; V55-R65 HydrophobicContact CG2-CG 4.41Å; V55-C68 WeakPolarHBondContact CG2-SG 3.14Å
56	L	94.8	Very high	93.6	Very high	36 Å²	36	75.5 Å²	75.5	19%	0.188	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130	177.3	-69.2	171.8	0	0	0	110.7	P26 A27 T28 C29 K60 N61	P26-L56 HydrophobicContact CB-CD1 3.65Å; P26-L56 HydrophobicContact CB-CG 4.48Å; P26-L56 HydrophobicContact CG-CD1 3.57Å; A27-L56 PolarHBondContact O-N 2.69Å; T28-L56 CarbonylContact C-O 3.38Å; T28-L56 WeakPolarHBondContact CA-O 3.48Å; T28-L56 HydrophobicContact CG2-CB 4.4Å; C29-L56 PolarHBondContact N-O 3.37Å; L56-K60 WeakPolarHBondContact CD2-O 3.38Å; L56-N61 WeakPolarHBondContact CA-O 3.29Å
57	D	93.1	Very high	93.5	Very high	10 Å²	10	69.4 Å²	69.4	5%	0.053	36%	0.36	C	S	.	.			trans	-83.1	178.1	163.7	79.9	-3.6	0	0	0	111.7	T59 K60 N61 V63 R71	D57-T59 PolarHBondContact O-N 3.45Å; D57-T59 VanDerWaalsContact O-N 3.08Å; D57-T59 VanDerWaalsContact OD1-CA 3.31Å; D57-T59 WeakPolarHBondContact OD1-CA 3.23Å; D57-T59 WeakPolarHBondContact OD1-CB 3.08Å; D57-T59 PolarHBondContact OD1-N 3.5Å; D57-T59 PolarHBondContact OD1-OG1 3.36Å; D57-T59 PolarHBondContact OD2-OG1 3.37Å; D57-T59 VanDerWaalsContact OD2-OG1 3.08Å; D57-K60 PolarHBondContact O-N 2.78Å; D57-K60 PolarHBondContact OD1-N 3.41Å; D57-N61 PolarHBondContact N-O 3.45Å; D57-N61 PolarHBondContact OD1-N 3.21Å; D57-V63 HydrophobicContact CB-CG1 4.31Å; D57-V63 HydrophobicContact CB-CG2 3.97Å; D57-R71 IonicContact OD2-CZ 3.64Å; D57-R71 IonicContact OD2-NH1 2.89Å; D57-R71 PolarHBondContact OD2-NH1 3.13Å; D57-R71 IonicContact OD2-NH2 3.56Å
58	D	89.7	Confident	93.4	Very high	147 Å²	147	68.7 Å²	68.7	79%	0.786	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.3	-179.3	-52.2	-40.1	0	0	0	112.8
59	T	90.3	Very high	93	Very high	92 Å²	92	70 Å²	70	56%	0.564	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	10.6	177.3	65.2	0	0	0	0	113.2	D57 N61	D57-T59 PolarHBondContact O-N 3.45Å; D57-T59 VanDerWaalsContact O-N 3.08Å; D57-T59 VanDerWaalsContact OD1-CA 3.31Å; D57-T59 WeakPolarHBondContact OD1-CA 3.23Å; D57-T59 WeakPolarHBondContact OD1-CB 3.08Å; D57-T59 PolarHBondContact OD1-N 3.5Å; D57-T59 PolarHBondContact OD1-OG1 3.36Å; D57-T59 PolarHBondContact OD2-OG1 3.37Å; D57-T59 VanDerWaalsContact OD2-OG1 3.08Å; T59-N61 PolarHBondContact O-N 3.29Å; T59-N61 PolarHBondContact OG1-ND2 2.84Å
60	K	89.2	Confident	92.3	Very high	166 Å²	166	76 Å²	76	72%	0.722	38%	0.381	S	S	*	.	S	Bend	trans	63	23.4	-177.5	-54.9	179.2	179.5	177	0	114.3	L56 D57	L56-K60 WeakPolarHBondContact CD2-O 3.38Å; D57-K60 PolarHBondContact O-N 2.78Å; D57-K60 PolarHBondContact OD1-N 3.41Å
61	N	93.5	Very high	91	Very high	85 Å²	85	81.8 Å²	81.8	46%	0.455	40%	0.399	S	S	.	.			trans	-92.1	141.2	173.5	-71	-57.1	0	0	0	110.8	L56 D57 T59 V63	L56-N61 WeakPolarHBondContact CA-O 3.29Å; D57-N61 PolarHBondContact N-O 3.45Å; D57-N61 PolarHBondContact OD1-N 3.21Å; T59-N61 PolarHBondContact O-N 3.29Å; T59-N61 PolarHBondContact OG1-ND2 2.84Å; N61-V63 PolarHBondContact O-N 2.04Å
62	C	95.3	Very high	89.5	Confident	7 Å²	7	84.4 Å²	84.4	5%	0.047	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	105.5	175.6	-69.2	0	0	0	0	110.5	N15 Q16 C50 V55	N15-C62 HydrophobicContact CB-CB 3.89Å; N15-C62 PolarHBondContact ND2-O 3.1Å; Q16-C62 HydrophobicContact CG-CB 4.09Å; Q16-C62 WeakPolarHBondContact CG-SG 3.36Å; C50-C62 WeakPolarHBondContact CA-SG 3.4Å; C50-C62 HydrophobicContact CB-CB 3.8Å; C50-C62 WeakPolarHBondContact CB-SG 3.45Å; C50-C62 VanDerWaalsContact SG-CA 3.58Å; C50-C62 WeakPolarHBondContact SG-CB 3.31Å; C50-C62 CovalentContact SG-SG 2.04Å; C50-C62 PolarHBondContact SG-SG 2.86Å; V55-C62 WeakPolarHBondContact O-CA 3.49Å
63	V	95.5	Very high	87.7	Confident	22 Å²	22	80.4 Å²	80.4	13%	0.133	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	153.6	179.3	-60.3	0	0	0	0	110.5	C29 Y54 V55 D57 N61	C29-V63 VanDerWaalsContact SG-CG2 3.58Å; Y54-V63 CarbonylContact C-O 3.44Å; Y54-V63 VanDerWaalsContact CA-O 3.23Å; Y54-V63 WeakPolarHBondContact CA-O 3.38Å; Y54-V63 VanDerWaalsContact CD1-C 3.44Å; V55-V63 HydrophobicContact CG2-CG2 4.47Å; V55-V63 PolarHBondContact N-O 2.96Å; V55-V63 PolarHBondContact O-N 2.9Å; D57-V63 HydrophobicContact CB-CG1 4.31Å; D57-V63 HydrophobicContact CB-CG2 3.97Å; N61-V63 PolarHBondContact O-N 2.04Å
64	S	95.2	Very high	85.6	Confident	40 Å²	40	86.7 Å²	86.7	28%	0.28	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	144.8	176.1	62	0	0	0	0	110.7	S66 S67	S64-S66 PolarHBondContact O-N 3.17Å; S64-S66 VanDerWaalsContact O-N 3.1Å; S64-S67 WeakPolarHBondContact O-CA 3.4Å; S64-S67 VanDerWaalsContact O-CB 3.29Å; S64-S67 WeakPolarHBondContact O-CB 3.49Å; S64-S67 PolarHBondContact O-N 2.93Å; S64-S67 PolarHBondContact OG-OG 2.71Å
65	R	93.1	Very high	83.3	Confident	118 Å²	118	87 Å²	87	45%	0.445	42%	0.422	S	S	.	.	H	α-helix	trans	-51.1	-38.5	178.6	-67	175.9	87.6	94.8	-2.1	112.4	V32 G53 V55 S67 C68	V32-R65 HydrophobicContact CG1-CB 4.17Å; V32-R65 HydrophobicContact CG2-CB 4.24Å; V32-R65 HydrophobicContact CG2-CG 3.93Å; G53-R65 WeakPolarHBondContact O-CG 3.37Å; G53-R65 PolarHBondContact O-N 3.26Å; V55-R65 HydrophobicContact CG1-CG 3.86Å; V55-R65 HydrophobicContact CG2-CG 4.41Å; R65-S67 VanDerWaalsContact C-N 3.28Å; R65-S67 PolarHBondContact O-N 3.42Å; R65-C68 WeakPolarHBondContact O-CB 3.32Å; R65-C68 PolarHBondContact O-N 3.34Å
66	S	92	Very high	81.3	Confident	78 Å²	78	99.4 Å²	99.4	55%	0.545	47%	0.469	S	S	.	.	H	α-helix	trans	-63.1	-30.5	177	-47.2	0	0	0	0	113.6	S64 C68 L69 K70	S64-S66 PolarHBondContact O-N 3.17Å; S64-S66 VanDerWaalsContact O-N 3.1Å; S66-C68 VanDerWaalsContact C-N 3.34Å; S66-L69 PolarHBondContact O-N 3.34Å; S66-K70 WeakPolarHBondContact O-CG 3.46Å; S66-K70 PolarHBondContact O-N 3.35Å
67	S	91.9	Very high	79	Confident	41 Å²	41	101.9 Å²	101.9	29%	0.287	49%	0.486	S	S	.	.	H	α-helix	trans	-69.3	-32.5	177.6	-60.4	0	0	0	0	112	S64 R65 L69 K70 R71	S64-S67 WeakPolarHBondContact O-CA 3.4Å; S64-S67 VanDerWaalsContact O-CB 3.29Å; S64-S67 WeakPolarHBondContact O-CB 3.49Å; S64-S67 PolarHBondContact O-N 2.93Å; S64-S67 PolarHBondContact OG-OG 2.71Å; R65-S67 VanDerWaalsContact C-N 3.28Å; R65-S67 PolarHBondContact O-N 3.42Å; S67-L69 VanDerWaalsContact C-N 3.33Å; S67-L69 PolarHBondContact O-N 3.17Å; S67-K70 PolarHBondContact O-N 2.66Å; S67-R71 PolarHBondContact O-N 2.05Å
68	C	90.3	Very high	77	Confident	3 Å²	3	107.2 Å²	107.2	2%	0.02	51%	0.511	C	S	.	.	H	α-helix	trans	-60.3	-43.4	175.5	-57.3	0	0	0	0	111.8	C29 V32 V33 V55 R65 S66 K70 R71	C29-C68 WeakPolarHBondContact CA-SG 2.99Å; C29-C68 HydrophobicContact CB-CB 3.59Å; C29-C68 WeakPolarHBondContact CB-SG 3.12Å; C29-C68 WeakPolarHBondContact SG-CB 3.47Å; C29-C68 CovalentContact SG-SG 2.04Å; C29-C68 PolarHBondContact SG-SG 3.41Å; V32-C68 HydrophobicContact CB-CB 4.38Å; V32-C68 HydrophobicContact CG1-CB 4.36Å; V33-C68 HydrophobicContact CG2-CB 4.34Å; V55-C68 WeakPolarHBondContact CG2-SG 3.14Å; R65-C68 WeakPolarHBondContact O-CB 3.32Å; R65-C68 PolarHBondContact O-N 3.34Å; S66-C68 VanDerWaalsContact C-N 3.34Å; C68-K70 VanDerWaalsContact C-N 3.31Å; C68-K70 PolarHBondContact O-N 3.18Å; C68-R71 PolarHBondContact O-N 3.28Å
69	L	84.7	Confident	75.4	Confident	82 Å²	82	108.5 Å²	108.5	43%	0.429	52%	0.517	S	S	.	.	H	α-helix	trans	-67.4	-31.8	-179.8	-60.6	176.5	0	0	0	112.6	V32 V33 S66 S67 K73	V32-L69 HydrophobicContact CG1-CD2 4.3Å; V32-L69 HydrophobicContact CG1-CG 4.4Å; V33-L69 HydrophobicContact CG2-CD2 4.26Å; S66-L69 PolarHBondContact O-N 3.34Å; S67-L69 VanDerWaalsContact C-N 3.33Å; S67-L69 PolarHBondContact O-N 3.17Å; L69-K73 WeakPolarHBondContact O-CG 3.5Å; L69-K73 PolarHBondContact O-N 3.43Å
70	K	81.2	Confident	73.5	Confident	158 Å²	158	113 Å²	113	69%	0.687	52%	0.523	S	S	*	.	H	α-helix	trans	-69	-34.6	178.5	-69.5	178.5	-178.4	-174.9	0	112.4	S66 S67 C68 R72 K73	S66-K70 WeakPolarHBondContact O-CG 3.46Å; S66-K70 PolarHBondContact O-N 3.35Å; S67-K70 PolarHBondContact O-N 2.66Å; C68-K70 VanDerWaalsContact C-N 3.31Å; C68-K70 PolarHBondContact O-N 3.18Å; K70-R72 PolarHBondContact O-N 3.32Å; K70-K73 PolarHBondContact O-N 3.15Å
71	R	66.9	Low	72.1	Confident	152 Å²	152	112.6 Å²	112.6	57%	0.574	53%	0.528	S	S	*	.	H	α-helix	trans	-69.4	-32.2	-178.7	-69.4	-172.7	177.8	-175.6	4	113	D57 S67 C68	D57-R71 IonicContact OD2-CZ 3.64Å; D57-R71 IonicContact OD2-NH1 2.89Å; D57-R71 PolarHBondContact OD2-NH1 3.13Å; D57-R71 IonicContact OD2-NH2 3.56Å; S67-R71 PolarHBondContact O-N 2.05Å; C68-R71 PolarHBondContact O-N 3.28Å
72	R	63.8	Low	70.5	Confident	158 Å²	158	118.6 Å²	118.6	60%	0.596	55%	0.55	S	S	*	*	H	α-helix	trans	-85.2	-17.7	178.4	-72.1	-95.5	176.4	131	8.5	113.9	E30 V33 K70 K74	E30-R72 IonicContact OE2-CZ 3.69Å; E30-R72 IonicContact OE2-NH1 3.83Å; E30-R72 IonicContact OE2-NH2 2.9Å; E30-R72 PolarHBondContact OE2-NH2 3.37Å; V33-R72 HydrophobicContact CG1-CG 4.15Å; V33-R72 HydrophobicContact CG2-CG 4.19Å; K70-R72 PolarHBondContact O-N 3.32Å; R72-K74 PolarHBondContact O-N 3.46Å
73	K	56.5	Low	68.5	Low	172 Å²	172	121.5 Å²	121.5	75%	0.748	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	4	173.9	-77	-170.9	-179.5	-170.8	0	114	L69 K70 P75	L69-K73 WeakPolarHBondContact O-CG 3.5Å; L69-K73 PolarHBondContact O-N 3.43Å; K70-K73 PolarHBondContact O-N 3.15Å; K73-P75 WeakPolarHBondContact O-CD 3.49Å
74	K	48.9	Very low	67	Low	174 Å²	174	126.1 Å²	126.1	76%	0.757	61%	0.605	S	S	*	*			trans	-59.9	111.9	168.3	-158.9	176.4	-173.5	-177.7	0	105.8	R72	R72-K74 PolarHBondContact O-N 3.46Å
75	P	47.8	Very low	65.4	Low	85 Å²	85	130 Å²	130	55%	0.552	63%	0.63	S	S	*	*			trans	-61	152.4	176.4	4.9	8.1	0	0	0	106	K73 T77	K73-P75 WeakPolarHBondContact O-CD 3.49Å; P75-T77 VanDerWaalsContact CB-OG1 3.28Å; P75-T77 WeakPolarHBondContact CB-OG1 3.37Å; P75-T77 WeakPolarHBondContact CG-OG1 3.3Å; P75-T77 PolarHBondContact O-N 3.33Å; P75-T77 PolarHBondContact O-OG1 3.23Å
76	R	53.5	Low	64.3	Low	262 Å²	262	134.5 Å²	134.5	99%	0.989	65%	0.647	S	S	*	*	S	Bend	trans	-67.2	47.1	171	-152.4	-179.5	-168	-176.1	3	110
77	T	46	Very low	62.5	Low	88 Å²	88	139 Å²	139	54%	0.54	66%	0.661	S	S	.	*			trans	-102.6	106.7	178.1	22.6	0	0	0	0	108.4	P75	P75-T77 VanDerWaalsContact CB-OG1 3.28Å; P75-T77 WeakPolarHBondContact CB-OG1 3.37Å; P75-T77 WeakPolarHBondContact CG-OG1 3.3Å; P75-T77 PolarHBondContact O-N 3.33Å; P75-T77 PolarHBondContact O-OG1 3.23Å
78	Q	52.7	Low	61.3	Low	121 Å²	121	144.8 Å²	144.8	57%	0.565	69%	0.687	S	S	*	*			trans	68.9	71.7	152.9	-44.8	-64	11.9	0	0	115.6	R80	Q78-R80 HydrophobicContact CB-CB 4.42Å; Q78-R80 HydrophobicContact CB-CG 3.99Å; Q78-R80 HydrophobicContact CG-CG 4.25Å; Q78-R80 PolarHBondContact O-N 3.27Å; Q78-R80 VanDerWaalsContact OE1-NE 3.16Å
79	L	54.7	Low	59.8	Low	175 Å²	175	150.3 Å²	150.3	92%	0.916	72%	0.721	S	S	*	*				-70.7	67.6	127.8	-166.8	74.7	0	0	0	106.3	L81	L79-L81 PolarHBondContact O-N 3.47Å
80	R	51.5	Low	59	Low	186 Å²	186	156 Å²	156	70%	0.702	76%	0.758	S	S	*	*			trans	-71.3	112.9	159.6	-76.6	-159.4	-174.4	-100	4.8	103.8	Q78 K82	Q78-R80 HydrophobicContact CB-CB 4.42Å; Q78-R80 HydrophobicContact CB-CG 3.99Å; Q78-R80 HydrophobicContact CG-CG 4.25Å; Q78-R80 PolarHBondContact O-N 3.27Å; Q78-R80 VanDerWaalsContact OE1-NE 3.16Å; R80-K82 PolarHBondContact O-N 2.84Å; R80-K82 VanDerWaalsContact O-N 3.15Å
81	L	58.4	Low	57.9	Low	157 Å²	157	155.9 Å²	155.9	82%	0.822	76%	0.762	S	S	*	*			trans	-38.7	125.3	158.7	-68	104.5	0	0	0	107	L79 G83	L79-L81 PolarHBondContact O-N 3.47Å; L81-G83 PolarHBondContact O-N 2.82Å
82	K	60.5	Low	57.4	Low	211 Å²	211	156.1 Å²	156.1	92%	0.917	77%	0.772	S	S	*	*			trans	-60.7	84	163.1	-79.3	-177.3	165.9	-175.2	0	106.4	R80 N84	R80-K82 PolarHBondContact O-N 2.84Å; R80-K82 VanDerWaalsContact O-N 3.15Å; K82-N84 PolarHBondContact O-N 3.2Å; K82-N84 VanDerWaalsContact O-N 3.1Å
83	G	53.4	Low	57	Low	68 Å²	68	156 Å²	156	70%	0.701	78%	0.782	S	S	*	*			trans	-67.1	100.7	162.2	0	0	0	0	0	106	L81 P85	L81-G83 PolarHBondContact O-N 2.82Å; G83-P85 WeakPolarHBondContact O-CD 3.47Å
84	N	64.1	Low	57.1	Low	120 Å²	120	155.1 Å²	155.1	64%	0.642	78%	0.784	S	S	*	*			trans	-76.4	115.1	171.4	-179.7	18.6	0	0	0	107.7	K82 R86	K82-N84 PolarHBondContact O-N 3.2Å; K82-N84 VanDerWaalsContact O-N 3.1Å; N84-R86 PolarHBondContact O-N 3.15Å
85	P	61.1	Low	57.6	Low	121 Å²	121	153.9 Å²	153.9	79%	0.786	79%	0.785	S	S	*	*			trans	-89.7	100.7	168.8	32.7	-21	0	0	0	106.5	G83	G83-P85 WeakPolarHBondContact O-CD 3.47Å
86	R	69.9	Low	58.2	Low	213 Å²	213	158.5 Å²	158.5	80%	0.804	80%	0.801	S	S	*	*			trans	-112	114.3	161.3	-81.7	-168.7	175.8	-167.7	-3	108.7	N84	N84-R86 PolarHBondContact O-N 3.15Å
87	M	55.6	Low	58.6	Low	173 Å²	173	151.1 Å²	151.1	85%	0.852	79%	0.788	S	S	*	*			trans	-15.7	122.4	163.3	-65.7	172.1	-178.6	0	0	113.3
88	I	65.7	Low	59.5	Low	162 Å²	162	155.9 Å²	155.9	83%	0.831	81%	0.807	S	S	*	*			trans	-102.1	99	145.7	-60.5	174.8	0	0	0	104.3	V90	I88-V90 HydrophobicContact CG2-CG2 4.2Å
89	T	59.1	Low	60.1	Low	118 Å²	118	158.8 Å²	158.8	72%	0.724	83%	0.827	S	S	*	*			trans	-87.7	118	158.5	-54.6	0	0	0	0	105.6
90	V	67.1	Low	60.6	Low	202 Å²	202	157.4 Å²	157.4	100%	1.224	82%	0.819	S	S	*	*			trans	-142.1	0	150.4	-168.3	0	0	0	0	106.6	I88	I88-V90 HydrophobicContact CG2-CG2 4.2Å

Retrieved 90 of 90 residues in 22.3 ms (Link to these results)

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