A0A077YZQ3_TRITR Loading...

LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZQ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 98 aa.

						>A0A077YZQ3_TRITR|A0A077YZQ3
MVNPCHRCHRPTYFNDNIGPLKDGVYYHKGCFKCWICGTRLTLKTYCNNRSDIRDTEVYCQSHVPTPAPHDPIPHRSNLLYSPKTKGEYAYSMTRYSS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.7	Low	89.4	Confident	232 Å²	232	87.9 Å²	87.9	100%	1.143	44%	0.442	S	S	*	.				0	133.6	0	-67.1	170.9	-179.6	0	0	107.7
2	V	82	Confident	89.4	Confident	84 Å²	84	81 Å²	81	51%	0.509	41%	0.408	S	S	.	.			trans	-105.1	119.8	-176	-172.3	0	0	0	0	107.8	P11 T12	V2-P11 HydrophobicContact CB-CB 4.34Å; V2-P11 HydrophobicContact CG1-CB 3.24Å; V2-T12 VanDerWaalsContact CG1-O 3.31Å; V2-T12 WeakPolarHBondContact CG1-O 3.45Å
3	N	87.1	Confident	89.2	Confident	52 Å²	52	86.5 Å²	86.5	28%	0.278	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.4	-176.2	-64.1	-51.4	0	0	0	110.8	T12 Y26	N3-T12 WeakPolarHBondContact O-CB 3.16Å; N3-T12 PolarHBondContact O-N 2.71Å; N3-T12 PolarHBondContact O-OG1 2.68Å; N3-Y26 HydrophobicContact CB-CD1 4.2Å; N3-Y26 HydrophobicContact CB-CD2 3.24Å; N3-Y26 HydrophobicContact CB-CE1 4.45Å; N3-Y26 HydrophobicContact CB-CE2 3.58Å; N3-Y26 HydrophobicContact CB-CG 3.57Å; N3-Y26 WeakPolarHBondContact ND2-CE2 3.07Å; N3-Y26 PolarHBondContact ND2-OH 2.98Å
4	P	92.3	Very high	88.9	Confident	85 Å²	85	94.4 Å²	94.4	55%	0.552	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	142.7	177.5	29.3	-33.9	0	0	0	111
5	C	95.2	Very high	88.7	Confident	1 Å²	1	97.3 Å²	97.3	1%	0.007	47%	0.473	C	S	.	.	B	Isolated β-bridge	trans	-73.5	131.6	172.1	174.6	0	0	0	0	110.4	R7 H9 R10 T12 Y26 H28	C5-R7 VanDerWaalsContact C-N 3.26Å; C5-R7 PolarHBondContact O-N 3.14Å; C5-R7 PolarHBondContact SG-N 3.18Å; C5-H9 WeakPolarHBondContact O-CA 3.49Å; C5-H9 PolarHBondContact O-N 3.01Å; C5-R10 WeakPolarHBondContact CB-O 3.3Å; C5-R10 PolarHBondContact N-O 2.97Å; C5-T12 HydrophobicContact CB-CG2 3.62Å; C5-Y26 CarbonylContact C-O 3.45Å; C5-Y26 VanDerWaalsContact CA-O 3.3Å; C5-Y26 WeakPolarHBondContact CA-O 3.46Å; C5-H28 WeakPolarHBondContact CB-CE1 3.49Å; C5-H28 WeakPolarHBondContact CB-ND1 3.36Å; C5-H28 PolarHBondContact SG-ND1 2.83Å; C5-H28 VanDerWaalsContact SG-ND1 3.44Å
6	H	93.5	Very high	88.6	Confident	54 Å²	54	94.9 Å²	94.9	25%	0.25	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.2	177.6	-177.5	75.8	0	0	0	114.3	V25 Y26 Y27 T56 E57	H6-V25 HydrophobicContact CB-CG1 3.55Å; H6-Y26 PolarHBondContact N-O 3.21Å; H6-Y27 HydrophobicContact CB-CD1 4.43Å; H6-Y27 HydrophobicContact CB-CE1 3.86Å; H6-Y27 HydrophobicContact CB-CE2 4.48Å; H6-Y27 AromaticContact CD2-CE1 3.99Å; H6-Y27 AromaticContact CD2-CZ 3.81Å; H6-Y27 PolarHBondContact CD2-OH 3.31Å; H6-T56 PolarHBondContact CE1-OG1 3.48Å; H6-T56 PolarHBondContact NE2-OG1 3.06Å; H6-E57 IonicContact CD2-OE1 3.94Å; H6-E57 IonicContact NE2-OE1 2.71Å; H6-E57 PolarHBondContact NE2-OE1 3.49Å
7	R	93.9	Very high	88.7	Confident	46 Å²	46	91.6 Å²	91.6	17%	0.174	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-47.7	177.8	-69.5	-53.5	-171.1	-177.1	-7.5	114.9	C5 Y27 C31 K33 E57	C5-R7 VanDerWaalsContact C-N 3.26Å; C5-R7 PolarHBondContact O-N 3.14Å; C5-R7 PolarHBondContact SG-N 3.18Å; R7-Y27 HydrophobicContact CG-CD1 3.7Å; R7-Y27 HydrophobicContact CG-CE1 3.63Å; R7-C31 HydrophobicContact CB-CB 3.8Å; R7-C31 HydrophobicContact CG-CB 3.78Å; R7-C31 WeakPolarHBondContact CG-O 3.34Å; R7-K33 PolarHBondContact NH2-O 2.81Å; R7-E57 IonicContact CZ-OE2 3.66Å; R7-E57 IonicContact NE-OE2 3.33Å; R7-E57 IonicContact NH1-OE1 3.6Å; R7-E57 IonicContact NH1-OE2 2.58Å; R7-E57 PolarHBondContact NH1-OE2 3.36Å; R7-E57 IonicContact NH2-OE2 3.58Å; R7-E57 PolarHBondContact NH2-OE2 2.81Å
8	C	94.6	Very high	88.9	Confident	37 Å²	37	88.1 Å²	88.1	25%	0.25	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-1.1	-167.6	71.6	0	0	0	0	113	R10 H28	C8-R10 PolarHBondContact O-N 3.22Å; C8-H28 PolarHBondContact SG-CE1 2.86Å; C8-H28 PolarHBondContact SG-ND1 3.16Å
9	H	93.1	Very high	88.9	Confident	146 Å²	146	84.9 Å²	84.9	68%	0.676	42%	0.424	S	S	*	.			trans	56.9	6.9	-178.5	-52.9	-64.9	0	0	0	115.1	C5	C5-H9 WeakPolarHBondContact O-CA 3.49Å; C5-H9 PolarHBondContact O-N 3.01Å
10	R	93.2	Very high	88.8	Confident	172 Å²	172	85.3 Å²	85.3	65%	0.649	43%	0.432	S	S	*	.	S	Bend	trans	-80.9	150.3	174.1	-64.5	-174.7	-178.9	102.4	0.6	110.8	C5 C8 T12 H28	C5-R10 WeakPolarHBondContact CB-O 3.3Å; C5-R10 PolarHBondContact N-O 2.97Å; C8-R10 PolarHBondContact O-N 3.22Å; R10-T12 PolarHBondContact O-N 3.02Å; R10-H28 PolarHBondContact O-CE1 2.86Å
11	P	92.3	Very high	88.8	Confident	58 Å²	58	82.1 Å²	82.1	38%	0.377	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	133.9	173.8	17	-29.1	0	0	0	112.7	V2 Y13 H28	V2-P11 HydrophobicContact CB-CB 4.34Å; V2-P11 HydrophobicContact CG1-CB 3.24Å; P11-Y13 HydrophobicContact CG-CE2 4.45Å; P11-H28 PolarHBondContact O-NE2 2.58Å
12	T	89.2	Confident	89.6	Confident	5 Å²	5	74.1 Å²	74.1	3%	0.031	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.9	171.2	58.3	0	0	0	0	109.8	V2 N3 C5 R10 N17	V2-T12 VanDerWaalsContact CG1-O 3.31Å; V2-T12 WeakPolarHBondContact CG1-O 3.45Å; N3-T12 WeakPolarHBondContact O-CB 3.16Å; N3-T12 PolarHBondContact O-N 2.71Å; N3-T12 PolarHBondContact O-OG1 2.68Å; C5-T12 HydrophobicContact CB-CG2 3.62Å; R10-T12 PolarHBondContact O-N 3.02Å; T12-N17 WeakPolarHBondContact CB-ND2 3.47Å; T12-N17 PolarHBondContact OG1-ND2 2.99Å
13	Y	87.5	Confident	89.8	Confident	153 Å²	153	75.7 Å²	75.7	60%	0.6	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-86	156	176.2	-63.1	-81.2	0	0	0	110.8	P11 N15 D16 N17	P11-Y13 HydrophobicContact CG-CE2 4.45Å; Y13-N15 PolarHBondContact O-N 2.9Å; Y13-D16 CarbonylContact O-C 3.57Å; Y13-D16 PolarHBondContact O-N 3.24Å; Y13-N17 VanDerWaalsContact O-CB 3.3Å; Y13-N17 WeakPolarHBondContact O-CB 3.37Å; Y13-N17 PolarHBondContact O-N 2.98Å
14	F	84.2	Confident	89.9	Confident	196 Å²	196	75.3 Å²	75.3	86%	0.86	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-46.8	-42.5	-177	-178.2	-100.1	0	0	0	113.7	D16	F14-D16 PolarHBondContact O-N 2.8Å
15	N	86.5	Confident	89.9	Confident	138 Å²	138	72.2 Å²	72.2	74%	0.738	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-72.2	-23.3	-177.3	-71.2	-12.3	0	0	0	114.6	Y13 K29	Y13-N15 PolarHBondContact O-N 2.9Å; N15-K29 WeakPolarHBondContact O-CE 3.31Å
16	D	87.3	Confident	89.8	Confident	60 Å²	60	74.4 Å²	74.4	32%	0.321	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-119.2	8.1	-175.5	-166.5	33.5	0	0	0	113	Y13 F14 H28 K29	Y13-D16 CarbonylContact O-C 3.57Å; Y13-D16 PolarHBondContact O-N 3.24Å; F14-D16 PolarHBondContact O-N 2.8Å; D16-H28 CarbonylContact O-C 3.55Å; D16-H28 VanDerWaalsContact O-CA 3.22Å; D16-H28 WeakPolarHBondContact O-CA 3.34Å; D16-H28 WeakPolarHBondContact OD2-CB 3.06Å; D16-H28 IonicContact OD2-CD2 2.87Å; D16-H28 PolarHBondContact OD2-CD2 3.45Å; D16-H28 IonicContact OD2-CG 2.97Å; D16-K29 PolarHBondContact O-N 3.41Å; D16-K29 WeakPolarHBondContact OD1-CB 3.24Å; D16-K29 WeakPolarHBondContact OD1-CD 3.37Å; D16-K29 WeakPolarHBondContact OD1-CG 3.33Å; D16-K29 PolarHBondContact OD1-N 3.1Å
17	N	89.8	Confident	89.9	Confident	38 Å²	38	71.8 Å²	71.8	20%	0.203	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.9	-177.8	-178.8	-66.4	0	0	0	111.6	T12 Y13 G19 Y26	T12-N17 WeakPolarHBondContact CB-ND2 3.47Å; T12-N17 PolarHBondContact OG1-ND2 2.99Å; Y13-N17 VanDerWaalsContact O-CB 3.3Å; Y13-N17 WeakPolarHBondContact O-CB 3.37Å; Y13-N17 PolarHBondContact O-N 2.98Å; N17-G19 PolarHBondContact OD1-N 2.95Å; N17-Y26 WeakPolarHBondContact ND2-CD1 3.24Å; N17-Y26 WeakPolarHBondContact OD1-CD1 3.41Å
18	I	91.9	Very high	90	Very high	28 Å²	28	70.7 Å²	70.7	14%	0.144	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	108.7	166.3	-61.5	-64.8	0	0	0	106.9	L21 Y27 K29 F32 L43	I18-L21 HydrophobicContact CG2-CD1 4.01Å; I18-Y27 PolarHBondContact N-O 2.88Å; I18-Y27 PolarHBondContact O-N 3.41Å; I18-K29 HydrophobicContact CD1-CG 4.01Å; I18-K29 HydrophobicContact CG1-CB 4.49Å; I18-K29 HydrophobicContact CG1-CG 3.98Å; I18-F32 HydrophobicContact CG1-CB 4.45Å; I18-F32 HydrophobicContact CG2-CD1 4.14Å; I18-F32 HydrophobicContact CG2-CD2 4.02Å; I18-F32 HydrophobicContact CG2-CE1 4.35Å; I18-F32 HydrophobicContact CG2-CE2 4.22Å; I18-F32 HydrophobicContact CG2-CG 3.97Å; I18-F32 HydrophobicContact CG2-CZ 4.37Å; I18-L43 HydrophobicContact CG2-CD2 3.87Å; I18-L43 HydrophobicContact CG2-CG 4.46Å
19	G	88.9	Confident	89.9	Confident	29 Å²	29	74.3 Å²	74.3	30%	0.299	37%	0.374	S	S	.	.			trans	156.1	-177.6	-179.2	0	0	0	0	0	113.6	N17	N17-G19 PolarHBondContact OD1-N 2.95Å
20	P	87.4	Confident	89.9	Confident	91 Å²	91	69.9 Å²	69.9	59%	0.591	37%	0.367	S	S	*	.			cis	-66.3	138.2	-5	26.4	-31.7	0	0	0	111.7	Y26	P20-Y26 HydrophobicContact CB-CE1 4.02Å; P20-Y26 HydrophobicContact CB-CE2 4.28Å
21	L	88.8	Confident	90.1	Very high	20 Å²	20	62.8 Å²	62.8	11%	0.105	34%	0.344	C	S	.	.			trans	-91.6	-166.5	165.9	-90.5	68.9	0	0	0	109.4	I18 G24 V25 Y27 F32 L43 Y46 V58	I18-L21 HydrophobicContact CG2-CD1 4.01Å; L21-G24 PolarHBondContact O-N 3.37Å; L21-V25 HydrophobicContact CB-CB 4.4Å; L21-V25 WeakPolarHBondContact CB-O 3.25Å; L21-V25 PolarHBondContact N-O 3.41Å; L21-Y27 HydrophobicContact CD2-CD2 4.06Å; L21-Y27 HydrophobicContact CD2-CE2 3.98Å; L21-F32 HydrophobicContact CD2-CE2 3.51Å; L21-F32 HydrophobicContact CD2-CZ 4.02Å; L21-L43 HydrophobicContact CD1-CD2 3.98Å; L21-Y46 HydrophobicContact CD2-CD2 4.27Å; L21-Y46 HydrophobicContact CD2-CE2 3.85Å; L21-Y46 HydrophobicContact CG-CE2 4.41Å; L21-V58 HydrophobicContact CD2-CG1 4.09Å
22	K	83.7	Confident	90.3	Very high	63 Å²	63	60.2 Å²	60.2	27%	0.274	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-47.8	140.5	168.6	-164.9	-168.7	166	-170.2	0	111.3	G24 V25 I53	K22-G24 PolarHBondContact O-N 2.9Å; K22-G24 VanDerWaalsContact O-N 3.1Å; K22-V25 WeakPolarHBondContact O-CB 3.41Å; K22-V25 VanDerWaalsContact O-CG2 3.3Å; K22-V25 WeakPolarHBondContact O-CG2 3.43Å; K22-V25 PolarHBondContact O-N 3.33Å; K22-V25 VanDerWaalsContact O-N 3.14Å; K22-I53 VanDerWaalsContact NZ-CG1 3.3Å; K22-I53 PolarHBondContact NZ-O 2.95Å
23	D	86.4	Confident	90.7	Very high	117 Å²	117	64.4 Å²	64.4	63%	0.626	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	56.8	23.5	178.5	-55.6	-54.9	0	0	0	114.7	V25	D23-V25 VanDerWaalsContact C-N 3.28Å; D23-V25 PolarHBondContact O-N 2.81Å
24	G	88.7	Confident	91.2	Very high	45 Å²	45	57.1 Å²	57.1	46%	0.464	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	72	22	179.8	0	0	0	0	0	113.7	L21 K22 Y26	L21-G24 PolarHBondContact O-N 3.37Å; K22-G24 PolarHBondContact O-N 2.9Å; K22-G24 VanDerWaalsContact O-N 3.1Å; G24-Y26 WeakPolarHBondContact O-CD2 3.48Å; G24-Y26 WeakPolarHBondContact O-CE2 3.07Å
25	V	91	Very high	91.7	Very high	20 Å²	20	55 Å²	55	12%	0.121	30%	0.303	C	S	.	.			trans	-75.3	139.7	-179.7	174	0	0	0	0	111.3	H6 L21 K22 D23 Y27 T56	H6-V25 HydrophobicContact CB-CG1 3.55Å; L21-V25 HydrophobicContact CB-CB 4.4Å; L21-V25 WeakPolarHBondContact CB-O 3.25Å; L21-V25 PolarHBondContact N-O 3.41Å; K22-V25 WeakPolarHBondContact O-CB 3.41Å; K22-V25 VanDerWaalsContact O-CG2 3.3Å; K22-V25 WeakPolarHBondContact O-CG2 3.43Å; K22-V25 PolarHBondContact O-N 3.33Å; K22-V25 VanDerWaalsContact O-N 3.14Å; D23-V25 VanDerWaalsContact C-N 3.28Å; D23-V25 PolarHBondContact O-N 2.81Å; V25-Y27 HydrophobicContact CG1-CD2 3.96Å; V25-Y27 HydrophobicContact CG1-CE2 3.31Å; V25-T56 HydrophobicContact CG2-CG2 4.26Å
26	Y	93.8	Very high	92.2	Very high	46 Å²	46	53.4 Å²	53.4	18%	0.18	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-123.4	149.8	176.7	-66.8	-89.7	0	0	0	111.9	N3 C5 H6 N17 P20 G24	N3-Y26 HydrophobicContact CB-CD1 4.2Å; N3-Y26 HydrophobicContact CB-CD2 3.24Å; N3-Y26 HydrophobicContact CB-CE1 4.45Å; N3-Y26 HydrophobicContact CB-CE2 3.58Å; N3-Y26 HydrophobicContact CB-CG 3.57Å; N3-Y26 WeakPolarHBondContact ND2-CE2 3.07Å; N3-Y26 PolarHBondContact ND2-OH 2.98Å; C5-Y26 CarbonylContact C-O 3.45Å; C5-Y26 VanDerWaalsContact CA-O 3.3Å; C5-Y26 WeakPolarHBondContact CA-O 3.46Å; H6-Y26 PolarHBondContact N-O 3.21Å; N17-Y26 WeakPolarHBondContact ND2-CD1 3.24Å; N17-Y26 WeakPolarHBondContact OD1-CD1 3.41Å; P20-Y26 HydrophobicContact CB-CE1 4.02Å; P20-Y26 HydrophobicContact CB-CE2 4.28Å; G24-Y26 WeakPolarHBondContact O-CD2 3.48Å; G24-Y26 WeakPolarHBondContact O-CE2 3.07Å
27	Y	95.5	Very high	92.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.5	177.3	-69	-87.7	0	0	0	111.3	H6 R7 I18 L21 V25 F32 T56 V58	H6-Y27 HydrophobicContact CB-CD1 4.43Å; H6-Y27 HydrophobicContact CB-CE1 3.86Å; H6-Y27 HydrophobicContact CB-CE2 4.48Å; H6-Y27 AromaticContact CD2-CE1 3.99Å; H6-Y27 AromaticContact CD2-CZ 3.81Å; H6-Y27 PolarHBondContact CD2-OH 3.31Å; R7-Y27 HydrophobicContact CG-CD1 3.7Å; R7-Y27 HydrophobicContact CG-CE1 3.63Å; I18-Y27 PolarHBondContact N-O 2.88Å; I18-Y27 PolarHBondContact O-N 3.41Å; L21-Y27 HydrophobicContact CD2-CD2 4.06Å; L21-Y27 HydrophobicContact CD2-CE2 3.98Å; V25-Y27 HydrophobicContact CG1-CD2 3.96Å; V25-Y27 HydrophobicContact CG1-CE2 3.31Å; Y27-F32 HydrophobicContact CD1-CD2 4.38Å; Y27-F32 AromaticContact CD2-CD2 3.74Å; Y27-F32 HydrophobicContact CD2-CD2 3.74Å; Y27-F32 HydrophobicContact CD2-CE2 4.03Å; Y27-F32 HydrophobicContact CE2-CD2 4.36Å; Y27-F32 HydrophobicContact CE2-CE2 4.38Å; Y27-F32 AromaticContact CG-CD2 3.74Å; Y27-F32 HydrophobicContact CG-CD2 3.74Å; Y27-F32 HydrophobicContact CG-CE2 4.48Å; Y27-T56 PolarHBondContact OH-O 2.94Å; Y27-T56 VanDerWaalsContact OH-O 3.06Å; Y27-V58 HydrophobicContact CE2-CG1 4.13Å
28	H	95.6	Very high	93	Very high	22 Å²	22	53.3 Å²	53.3	10%	0.102	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	153.3	159.9	-62.1	104.6	0	0	0	110.3	C5 C8 R10 P11 D16 G30 C31 F32	C5-H28 WeakPolarHBondContact CB-CE1 3.49Å; C5-H28 WeakPolarHBondContact CB-ND1 3.36Å; C5-H28 PolarHBondContact SG-ND1 2.83Å; C5-H28 VanDerWaalsContact SG-ND1 3.44Å; C8-H28 PolarHBondContact SG-CE1 2.86Å; C8-H28 PolarHBondContact SG-ND1 3.16Å; R10-H28 PolarHBondContact O-CE1 2.86Å; P11-H28 PolarHBondContact O-NE2 2.58Å; D16-H28 CarbonylContact O-C 3.55Å; D16-H28 VanDerWaalsContact O-CA 3.22Å; D16-H28 WeakPolarHBondContact O-CA 3.34Å; D16-H28 WeakPolarHBondContact OD2-CB 3.06Å; D16-H28 IonicContact OD2-CD2 2.87Å; D16-H28 PolarHBondContact OD2-CD2 3.45Å; D16-H28 IonicContact OD2-CG 2.97Å; H28-G30 PolarHBondContact O-N 3.28Å; H28-C31 HydrophobicContact CB-CB 3.89Å; H28-C31 CarbonylContact O-C 3.54Å; H28-C31 WeakPolarHBondContact O-CA 3.44Å; H28-C31 PolarHBondContact O-N 2.99Å; H28-F32 PolarHBondContact O-N 3.4Å
29	K	92.6	Very high	93.3	Very high	114 Å²	114	55.8 Å²	55.8	50%	0.496	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-37.9	175.3	-60.7	171	-174.1	-76	0	111.5	N15 D16 I18	N15-K29 WeakPolarHBondContact O-CE 3.31Å; D16-K29 PolarHBondContact O-N 3.41Å; D16-K29 WeakPolarHBondContact OD1-CB 3.24Å; D16-K29 WeakPolarHBondContact OD1-CD 3.37Å; D16-K29 WeakPolarHBondContact OD1-CG 3.33Å; D16-K29 PolarHBondContact OD1-N 3.1Å; I18-K29 HydrophobicContact CD1-CG 4.01Å; I18-K29 HydrophobicContact CG1-CB 4.49Å; I18-K29 HydrophobicContact CG1-CG 3.98Å
30	G	94.1	Very high	93.7	Very high	52 Å²	52	64.3 Å²	64.3	54%	0.536	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-22.6	175.7	0	0	0	0	0	114.7	H28	H28-G30 PolarHBondContact O-N 3.28Å
31	C	96.2	Very high	94.1	Very high	24 Å²	24	60.8 Å²	60.8	16%	0.162	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-16.7	178.2	-73.4	0	0	0	0	112.9	R7 H28 K33	R7-C31 HydrophobicContact CB-CB 3.8Å; R7-C31 HydrophobicContact CG-CB 3.78Å; R7-C31 WeakPolarHBondContact CG-O 3.34Å; H28-C31 HydrophobicContact CB-CB 3.89Å; H28-C31 CarbonylContact O-C 3.54Å; H28-C31 WeakPolarHBondContact O-CA 3.44Å; H28-C31 PolarHBondContact O-N 2.99Å; C31-K33 VanDerWaalsContact C-N 3.32Å; C31-K33 PolarHBondContact O-N 2.95Å
32	F	97.1	Very high	94.4	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.018	34%	0.337	C	S	.	.			trans	-78.3	80.7	-176.7	-164.6	-116.1	0	0	0	111.8	I18 L21 Y27 H28 L41 Y46 V58	I18-F32 HydrophobicContact CG1-CB 4.45Å; I18-F32 HydrophobicContact CG2-CD1 4.14Å; I18-F32 HydrophobicContact CG2-CD2 4.02Å; I18-F32 HydrophobicContact CG2-CE1 4.35Å; I18-F32 HydrophobicContact CG2-CE2 4.22Å; I18-F32 HydrophobicContact CG2-CG 3.97Å; I18-F32 HydrophobicContact CG2-CZ 4.37Å; L21-F32 HydrophobicContact CD2-CE2 3.51Å; L21-F32 HydrophobicContact CD2-CZ 4.02Å; Y27-F32 HydrophobicContact CD1-CD2 4.38Å; Y27-F32 AromaticContact CD2-CD2 3.74Å; Y27-F32 HydrophobicContact CD2-CD2 3.74Å; Y27-F32 HydrophobicContact CD2-CE2 4.03Å; Y27-F32 HydrophobicContact CE2-CD2 4.36Å; Y27-F32 HydrophobicContact CE2-CE2 4.38Å; Y27-F32 AromaticContact CG-CD2 3.74Å; Y27-F32 HydrophobicContact CG-CD2 3.74Å; Y27-F32 HydrophobicContact CG-CE2 4.48Å; H28-F32 PolarHBondContact O-N 3.4Å; F32-L41 HydrophobicContact CD1-CB 3.79Å; F32-L41 VanDerWaalsContact CD1-O 3.31Å; F32-L41 WeakPolarHBondContact CD1-O 3.12Å; F32-L41 HydrophobicContact CE1-CB 3.62Å; F32-L41 HydrophobicContact CZ-CB 4.33Å; F32-L41 PolarHBondContact O-N 3.37Å; F32-Y46 HydrophobicContact CE1-CG 4.35Å; F32-Y46 AromaticContact CZ-CD1 3.96Å; F32-Y46 HydrophobicContact CZ-CD1 3.96Å; F32-Y46 HydrophobicContact CZ-CD2 4.09Å; F32-Y46 AromaticContact CZ-CG 3.6Å; F32-Y46 HydrophobicContact CZ-CG 3.6Å; F32-V58 HydrophobicContact CD2-CG2 4.23Å; F32-V58 HydrophobicContact CE2-CB 4.3Å; F32-V58 HydrophobicContact CE2-CG1 3.97Å; F32-V58 HydrophobicContact CE2-CG2 4.03Å
33	K	97.3	Very high	94.9	Very high	92 Å²	92	65.4 Å²	65.4	40%	0.4	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-139.7	154.3	-174.1	68.5	-170	179	-173.5	0	111.9	R7 C31 W35 T39 V58	R7-K33 PolarHBondContact NH2-O 2.81Å; C31-K33 VanDerWaalsContact C-N 3.32Å; C31-K33 PolarHBondContact O-N 2.95Å; K33-W35 PolarHBondContact O-N 3.33Å; K33-T39 CarbonylContact C-O 3.6Å; K33-T39 VanDerWaalsContact CA-O 3.24Å; K33-T39 WeakPolarHBondContact CA-O 3.44Å; K33-T39 WeakPolarHBondContact CB-O 3.3Å; K33-V58 WeakPolarHBondContact O-CG2 3.36Å
34	C	98.1	Very high	95.2	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.007	36%	0.362	C	S	.	.			trans	-57.6	130.2	175.8	176.6	0	0	0	0	110.2	I36 G38 T39 L41 V58 C60	C34-I36 PolarHBondContact O-N 3.17Å; C34-I36 PolarHBondContact SG-N 2.65Å; C34-G38 VanDerWaalsContact O-CA 3.25Å; C34-G38 WeakPolarHBondContact O-CA 3.29Å; C34-G38 PolarHBondContact O-N 3.39Å; C34-T39 PolarHBondContact N-O 3.34Å; C34-L41 HydrophobicContact CB-CD1 4.23Å; C34-L41 HydrophobicContact CB-CD2 4.4Å; C34-L41 HydrophobicContact CB-CG 4.45Å; C34-V58 WeakPolarHBondContact CA-O 2.88Å; C34-C60 HydrophobicContact CB-CB 4.19Å; C34-C60 PolarHBondContact SG-N 2.99Å; C34-C60 VanDerWaalsContact SG-N 3.41Å
35	W	96.4	Very high	95.5	Very high	152 Å²	152	70.7 Å²	70.7	58%	0.576	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-35.4	179	-178.4	-132.1	0	0	0	113.3	K33 V58 Y59	K33-W35 PolarHBondContact O-N 3.33Å; W35-V58 PolarHBondContact N-O 3.19Å; W35-Y59 HydrophobicContact CB-CD1 4.34Å; W35-Y59 HydrophobicContact CB-CE1 3.98Å; W35-Y59 HydrophobicContact CG-CE1 4.5Å
36	I	96.8	Very high	95.8	Very high	104 Å²	104	72.8 Å²	72.8	53%	0.533	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-52.2	-174.4	-55.4	-56.7	0	0	0	112.4	C34 Y59 H63	C34-I36 PolarHBondContact O-N 3.17Å; C34-I36 PolarHBondContact SG-N 2.65Å; I36-Y59 HydrophobicContact CD1-CE1 4.23Å; I36-Y59 HydrophobicContact CG1-CD1 3.97Å; I36-Y59 HydrophobicContact CG1-CE1 4.02Å; I36-H63 HydrophobicContact CB-CB 4.02Å; I36-H63 HydrophobicContact CG1-CB 4.02Å; I36-H63 HydrophobicContact CG2-CB 4.45Å
37	C	97.5	Very high	95.8	Very high	58 Å²	58	71.6 Å²	71.6	39%	0.392	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-6.1	-172.5	65.1	0	0	0	0	114.7	T39 H63	C37-T39 PolarHBondContact O-N 3.26Å; C37-T39 PolarHBondContact SG-OG1 3.23Å; C37-H63 VanDerWaalsContact CB-CE1 3.45Å; C37-H63 WeakPolarHBondContact CB-CE1 3.19Å; C37-H63 PolarHBondContact SG-ND1 2.89Å; C37-H63 VanDerWaalsContact SG-ND1 3.36Å
38	G	96.5	Very high	95.8	Very high	37 Å²	37	73.4 Å²	73.4	38%	0.381	38%	0.376	S	S	.	.			trans	70.9	5.5	-179	0	0	0	0	0	115.3	C34 R40	C34-G38 VanDerWaalsContact O-CA 3.25Å; C34-G38 WeakPolarHBondContact O-CA 3.29Å; C34-G38 PolarHBondContact O-N 3.39Å; G38-R40 PolarHBondContact O-N 2.8Å
39	T	97.3	Very high	95.6	Very high	80 Å²	80	73.6 Å²	73.6	49%	0.491	38%	0.377	S	S	.	.			trans	-60.1	132.3	174.9	-57.8	0	0	0	0	110.3	K33 C34 C37 L41	K33-T39 CarbonylContact C-O 3.6Å; K33-T39 VanDerWaalsContact CA-O 3.24Å; K33-T39 WeakPolarHBondContact CA-O 3.44Å; K33-T39 WeakPolarHBondContact CB-O 3.3Å; C34-T39 PolarHBondContact N-O 3.34Å; C37-T39 PolarHBondContact O-N 3.26Å; C37-T39 PolarHBondContact SG-OG1 3.23Å; T39-L41 PolarHBondContact O-N 2.97Å
40	R	96.6	Very high	95.4	Very high	209 Å²	209	75.2 Å²	75.2	79%	0.789	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-63.4	130.8	176.4	-64.8	-178.6	-178.3	-179.2	0.3	110.1	G38	G38-R40 PolarHBondContact O-N 2.8Å
41	L	97.1	Very high	95.1	Very high	17 Å²	17	76 Å²	76	9%	0.089	38%	0.377	C	S	.	.			trans	-105.1	168	-178.7	-60.3	175.8	0	0	0	110.4	F32 C34 T39 V58 Y59 C60	F32-L41 HydrophobicContact CD1-CB 3.79Å; F32-L41 VanDerWaalsContact CD1-O 3.31Å; F32-L41 WeakPolarHBondContact CD1-O 3.12Å; F32-L41 HydrophobicContact CE1-CB 3.62Å; F32-L41 HydrophobicContact CZ-CB 4.33Å; F32-L41 PolarHBondContact O-N 3.37Å; C34-L41 HydrophobicContact CB-CD1 4.23Å; C34-L41 HydrophobicContact CB-CD2 4.4Å; C34-L41 HydrophobicContact CB-CG 4.45Å; T39-L41 PolarHBondContact O-N 2.97Å; L41-V58 HydrophobicContact CD1-CB 4.11Å; L41-V58 HydrophobicContact CD1-CG2 4.04Å; L41-Y59 WeakPolarHBondContact CD1-O 3.48Å; L41-C60 HydrophobicContact CD2-CB 3.81Å
42	T	95.1	Very high	94.8	Very high	72 Å²	72	78.3 Å²	78.3	44%	0.442	39%	0.388	S	S	.	.			trans	-129.5	164.4	170.4	71.7	0	0	0	0	109.1	K44 T45 Y46	T42-K44 PolarHBondContact O-N 3.04Å; T42-K44 PolarHBondContact OG1-N 2.89Å; T42-T45 PolarHBondContact N-OG1 3.27Å; T42-T45 PolarHBondContact O-N 3.14Å; T42-T45 PolarHBondContact OG1-N 3.06Å; T42-T45 PolarHBondContact OG1-OG1 3.26Å; T42-Y46 WeakPolarHBondContact O-CD1 3.3Å; T42-Y46 PolarHBondContact O-N 3.33Å
43	L	93.1	Very high	94.4	Very high	107 Å²	107	84.5 Å²	84.5	56%	0.56	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-18.5	176.1	-68.3	176.1	0	0	0	113.6	I18 L21 Y46	I18-L43 HydrophobicContact CG2-CD2 3.87Å; I18-L43 HydrophobicContact CG2-CG 4.46Å; L21-L43 HydrophobicContact CD1-CD2 3.98Å; L43-Y46 HydrophobicContact CD2-CE1 4.43Å; L43-Y46 VanDerWaalsContact O-CD1 3.3Å; L43-Y46 WeakPolarHBondContact O-CD1 3.49Å; L43-Y46 WeakPolarHBondContact O-CE1 3.35Å
44	K	93.5	Very high	94	Very high	201 Å²	201	90.4 Å²	90.4	87%	0.874	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-26.2	176.4	-64.6	-175.9	178	-178.6	0	113.7	T42	T42-K44 PolarHBondContact O-N 3.04Å; T42-K44 PolarHBondContact OG1-N 2.89Å
45	T	95	Very high	93.7	Very high	73 Å²	73	91.7 Å²	91.7	45%	0.448	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-11.1	-169.2	56.7	0	0	0	0	113.8	T42	T42-T45 PolarHBondContact N-OG1 3.27Å; T42-T45 PolarHBondContact O-N 3.14Å; T42-T45 PolarHBondContact OG1-N 3.06Å; T42-T45 PolarHBondContact OG1-OG1 3.26Å
46	Y	96	Very high	93.5	Very high	63 Å²	63	86.3 Å²	86.3	25%	0.247	43%	0.431	C	S	.	.			trans	-72.8	150.2	175.7	87.6	-76.4	0	0	0	111.4	L21 F32 T42 L43 N48 V58	L21-Y46 HydrophobicContact CD2-CD2 4.27Å; L21-Y46 HydrophobicContact CD2-CE2 3.85Å; L21-Y46 HydrophobicContact CG-CE2 4.41Å; F32-Y46 HydrophobicContact CE1-CG 4.35Å; F32-Y46 AromaticContact CZ-CD1 3.96Å; F32-Y46 HydrophobicContact CZ-CD1 3.96Å; F32-Y46 HydrophobicContact CZ-CD2 4.09Å; F32-Y46 AromaticContact CZ-CG 3.6Å; F32-Y46 HydrophobicContact CZ-CG 3.6Å; T42-Y46 WeakPolarHBondContact O-CD1 3.3Å; T42-Y46 PolarHBondContact O-N 3.33Å; L43-Y46 HydrophobicContact CD2-CE1 4.43Å; L43-Y46 VanDerWaalsContact O-CD1 3.3Å; L43-Y46 WeakPolarHBondContact O-CD1 3.49Å; L43-Y46 WeakPolarHBondContact O-CE1 3.35Å; Y46-N48 WeakPolarHBondContact CE2-OD1 3.36Å; Y46-V58 HydrophobicContact CD2-CB 4.43Å; Y46-V58 HydrophobicContact CD2-CG1 3.93Å
47	C	95.1	Very high	93.4	Very high	22 Å²	22	82.7 Å²	82.7	15%	0.149	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.6	172.2	-68.6	0	0	0	0	108.6	Y59 V64	C47-Y59 PolarHBondContact N-O 2.86Å; C47-Y59 PolarHBondContact O-N 2.63Å; C47-V64 HydrophobicContact CB-CB 3.69Å; C47-V64 HydrophobicContact CB-CG1 4.32Å; C47-V64 HydrophobicContact CB-CG2 3.61Å
48	N	94	Very high	93.3	Very high	38 Å²	38	79.9 Å²	79.9	20%	0.203	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	161.7	165.3	-64	108.9	0	0	0	110.2	Y46 R50 E57 V64	Y46-N48 WeakPolarHBondContact CE2-OD1 3.36Å; N48-R50 PolarHBondContact O-N 2.92Å; N48-E57 PolarHBondContact ND2-O 3.33Å; N48-V64 WeakPolarHBondContact O-CG2 3.31Å
49	N	92.2	Very high	93.3	Very high	25 Å²	25	78.9 Å²	78.9	13%	0.134	38%	0.378	C	S	.	.			trans	-55.2	124.5	172.2	-169.1	-30.7	0	0	0	110.2	S51 D52 D55 Y59	N49-S51 WeakPolarHBondContact OD1-CA 3.22Å; N49-S51 WeakPolarHBondContact OD1-CB 3.2Å; N49-S51 PolarHBondContact OD1-N 2.97Å; N49-D52 PolarHBondContact OD1-N 3.21Å; N49-D55 HydrophobicContact CB-CB 3.75Å; N49-D55 WeakPolarHBondContact CB-OD2 3.36Å; N49-D55 PolarHBondContact ND2-OD2 3.23Å; N49-Y59 HydrophobicContact CB-CE2 4.02Å
50	R	89.3	Confident	93.3	Very high	149 Å²	149	75.9 Å²	75.9	56%	0.562	36%	0.36	S	S	*	.	S	Bend	trans	-90.3	-14.8	-178.2	-55.1	177.3	-173.8	-151.3	-1.5	112.1	N48 V64 P65	N48-R50 PolarHBondContact O-N 2.92Å; R50-V64 HydrophobicContact CG-CG2 3.85Å; R50-P65 WeakPolarHBondContact CB-O 3.43Å; R50-P65 PolarHBondContact N-O 3.33Å
51	S	87.9	Confident	93.3	Very high	67 Å²	67	73.3 Å²	73.3	47%	0.469	36%	0.357	S	S	.	.	S	Bend	trans	-93.2	-34.2	-178.6	-50.4	0	0	0	0	112.3	N49 T66 P67	N49-S51 WeakPolarHBondContact OD1-CA 3.22Å; N49-S51 WeakPolarHBondContact OD1-CB 3.2Å; N49-S51 PolarHBondContact OD1-N 2.97Å; S51-T66 PolarHBondContact OG-O 2.93Å; S51-P67 WeakPolarHBondContact OG-CA 3.14Å
52	D	89.5	Confident	93.2	Very high	74 Å²	74	77.7 Å²	77.7	40%	0.396	39%	0.389	S	S	.	.			trans	-125.7	112.8	180	-171.9	-4	0	0	0	111	N49 R54 D55	N49-D52 PolarHBondContact OD1-N 3.21Å; D52-R54 PolarHBondContact O-N 2.99Å; D52-R54 WeakPolarHBondContact OD1-CB 3.3Å; D52-R54 PolarHBondContact OD1-N 2.98Å; D52-D55 HydrophobicContact CB-CB 4.31Å; D52-D55 PolarHBondContact O-N 2.87Å
53	I	87.4	Confident	93.3	Very high	134 Å²	134	77.8 Å²	77.8	69%	0.687	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-16.4	177.4	-162.7	171.1	0	0	0	112.6	K22 D55	K22-I53 VanDerWaalsContact NZ-CG1 3.3Å; K22-I53 PolarHBondContact NZ-O 2.95Å; I53-D55 VanDerWaalsContact C-N 3.3Å
54	R	90.3	Very high	93.4	Very high	215 Å²	215	73.5 Å²	73.5	81%	0.811	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.2	178.5	-59	176.8	63.8	-169	-1.7	112.4	D52 T56	D52-R54 PolarHBondContact O-N 2.99Å; D52-R54 WeakPolarHBondContact OD1-CB 3.3Å; D52-R54 PolarHBondContact OD1-N 2.98Å; R54-T56 PolarHBondContact O-N 2.99Å
55	D	91.5	Very high	93.4	Very high	28 Å²	28	66 Å²	66	15%	0.15	33%	0.334	C	S	.	.			trans	-75.6	115.5	176.2	-174.3	3.5	0	0	0	110.4	N49 D52 I53 E57 Y59	N49-D55 HydrophobicContact CB-CB 3.75Å; N49-D55 WeakPolarHBondContact CB-OD2 3.36Å; N49-D55 PolarHBondContact ND2-OD2 3.23Å; D52-D55 HydrophobicContact CB-CB 4.31Å; D52-D55 PolarHBondContact O-N 2.87Å; I53-D55 VanDerWaalsContact C-N 3.3Å; D55-E57 VanDerWaalsContact C-N 3.34Å; D55-E57 WeakPolarHBondContact OD1-CB 3.11Å; D55-E57 WeakPolarHBondContact OD1-CG 3.06Å; D55-E57 PolarHBondContact OD1-N 3.28Å; D55-Y59 WeakPolarHBondContact OD2-CE2 3.16Å; D55-Y59 PolarHBondContact OD2-OH 2.85Å
56	T	91.4	Very high	93	Very high	39 Å²	39	66.7 Å²	66.7	24%	0.239	34%	0.338	C	S	.	.			trans	-92.1	2	179	57.5	0	0	0	0	112.8	H6 V25 Y27 R54	H6-T56 PolarHBondContact CE1-OG1 3.48Å; H6-T56 PolarHBondContact NE2-OG1 3.06Å; V25-T56 HydrophobicContact CG2-CG2 4.26Å; Y27-T56 PolarHBondContact OH-O 2.94Å; Y27-T56 VanDerWaalsContact OH-O 3.06Å; R54-T56 PolarHBondContact O-N 2.99Å
57	E	95.2	Very high	92.3	Very high	28 Å²	28	66.3 Å²	66.3	13%	0.131	34%	0.343	C	S	.	.			trans	-70.5	158.1	177.8	-65.4	-60.5	143.4	0	0	112.5	H6 R7 N48 D55 Y59	H6-E57 IonicContact CD2-OE1 3.94Å; H6-E57 IonicContact NE2-OE1 2.71Å; H6-E57 PolarHBondContact NE2-OE1 3.49Å; R7-E57 IonicContact CZ-OE2 3.66Å; R7-E57 IonicContact NE-OE2 3.33Å; R7-E57 IonicContact NH1-OE1 3.6Å; R7-E57 IonicContact NH1-OE2 2.58Å; R7-E57 PolarHBondContact NH1-OE2 3.36Å; R7-E57 IonicContact NH2-OE2 3.58Å; R7-E57 PolarHBondContact NH2-OE2 2.81Å; N48-E57 PolarHBondContact ND2-O 3.33Å; D55-E57 VanDerWaalsContact C-N 3.34Å; D55-E57 WeakPolarHBondContact OD1-CB 3.11Å; D55-E57 WeakPolarHBondContact OD1-CG 3.06Å; D55-E57 PolarHBondContact OD1-N 3.28Å; E57-Y59 HydrophobicContact CB-CE2 3.68Å
58	V	95.5	Very high	91.3	Very high	0 Å²	0	69 Å²	69	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.6	179.4	-63.1	0	0	0	0	111.3	L21 Y27 F32 K33 C34 W35 L41 Y46	L21-V58 HydrophobicContact CD2-CG1 4.09Å; Y27-V58 HydrophobicContact CE2-CG1 4.13Å; F32-V58 HydrophobicContact CD2-CG2 4.23Å; F32-V58 HydrophobicContact CE2-CB 4.3Å; F32-V58 HydrophobicContact CE2-CG1 3.97Å; F32-V58 HydrophobicContact CE2-CG2 4.03Å; K33-V58 WeakPolarHBondContact O-CG2 3.36Å; C34-V58 WeakPolarHBondContact CA-O 2.88Å; W35-V58 PolarHBondContact N-O 3.19Å; L41-V58 HydrophobicContact CD1-CB 4.11Å; L41-V58 HydrophobicContact CD1-CG2 4.04Å; Y46-V58 HydrophobicContact CD2-CB 4.43Å; Y46-V58 HydrophobicContact CD2-CG1 3.93Å
59	Y	97.1	Very high	90.3	Very high	15 Å²	15	73.1 Å²	73.1	6%	0.059	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	157.2	-172	-57.2	-89.8	0	0	0	110.4	W35 I36 L41 C47 N49 D55 E57 P65	W35-Y59 HydrophobicContact CB-CD1 4.34Å; W35-Y59 HydrophobicContact CB-CE1 3.98Å; W35-Y59 HydrophobicContact CG-CE1 4.5Å; I36-Y59 HydrophobicContact CD1-CE1 4.23Å; I36-Y59 HydrophobicContact CG1-CD1 3.97Å; I36-Y59 HydrophobicContact CG1-CE1 4.02Å; L41-Y59 WeakPolarHBondContact CD1-O 3.48Å; C47-Y59 PolarHBondContact N-O 2.86Å; C47-Y59 PolarHBondContact O-N 2.63Å; N49-Y59 HydrophobicContact CB-CE2 4.02Å; D55-Y59 WeakPolarHBondContact OD2-CE2 3.16Å; D55-Y59 PolarHBondContact OD2-OH 2.85Å; E57-Y59 HydrophobicContact CB-CE2 3.68Å; Y59-P65 HydrophobicContact CE1-CG 4.34Å
60	C	97.7	Very high	89.1	Confident	18 Å²	18	79.6 Å²	79.6	12%	0.122	43%	0.425	C	S	.	.			trans	-80.7	166	164.5	66.4	0	0	0	0	110	C34 L41 S62 H63 V64	C34-C60 HydrophobicContact CB-CB 4.19Å; C34-C60 PolarHBondContact SG-N 2.99Å; C34-C60 VanDerWaalsContact SG-N 3.41Å; L41-C60 HydrophobicContact CD2-CB 3.81Å; C60-S62 PolarHBondContact O-N 3.36Å; C60-S62 VanDerWaalsContact O-N 3.16Å; C60-H63 CarbonylContact O-C 3.58Å; C60-H63 PolarHBondContact O-N 3.44Å; C60-H63 PolarHBondContact SG-N 2.82Å; C60-H63 PolarHBondContact SG-ND1 3.44Å; C60-V64 PolarHBondContact O-N 2.89Å
61	Q	95.5	Very high	87.8	Confident	155 Å²	155	79.4 Å²	79.4	72%	0.724	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.5	177.7	-171.4	174.2	17.1	0	0	113.4	V64	Q61-V64 WeakPolarHBondContact O-CG1 3.07Å
62	S	95.4	Very high	86.7	Confident	108 Å²	108	81.7 Å²	81.7	76%	0.755	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-22.8	179.5	-49.2	0	0	0	0	113.8	C60	C60-S62 PolarHBondContact O-N 3.36Å; C60-S62 VanDerWaalsContact O-N 3.16Å
63	H	96.5	Very high	85.4	Confident	75 Å²	75	85.7 Å²	85.7	35%	0.347	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	6.8	-176.1	-66	131.9	0	0	0	113.2	I36 C37 C60 P65	I36-H63 HydrophobicContact CB-CB 4.02Å; I36-H63 HydrophobicContact CG1-CB 4.02Å; I36-H63 HydrophobicContact CG2-CB 4.45Å; C37-H63 VanDerWaalsContact CB-CE1 3.45Å; C37-H63 WeakPolarHBondContact CB-CE1 3.19Å; C37-H63 PolarHBondContact SG-ND1 2.89Å; C37-H63 VanDerWaalsContact SG-ND1 3.36Å; C60-H63 CarbonylContact O-C 3.58Å; C60-H63 PolarHBondContact O-N 3.44Å; C60-H63 PolarHBondContact SG-N 2.82Å; C60-H63 PolarHBondContact SG-ND1 3.44Å; H63-P65 VanDerWaalsContact O-CD 3.24Å; H63-P65 WeakPolarHBondContact O-CD 3.47Å
64	V	95.4	Very high	84	Confident	16 Å²	16	84.6 Å²	84.6	10%	0.097	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-67.8	121.6	178.3	63.4	0	0	0	0	109.6	C47 N48 R50 C60 Q61 T66	C47-V64 HydrophobicContact CB-CB 3.69Å; C47-V64 HydrophobicContact CB-CG1 4.32Å; C47-V64 HydrophobicContact CB-CG2 3.61Å; N48-V64 WeakPolarHBondContact O-CG2 3.31Å; R50-V64 HydrophobicContact CG-CG2 3.85Å; C60-V64 PolarHBondContact O-N 2.89Å; Q61-V64 WeakPolarHBondContact O-CG1 3.07Å; V64-T66 HydrophobicContact CG1-CG2 4.43Å; V64-T66 PolarHBondContact O-N 2.98Å
65	P	93.6	Very high	82.7	Confident	43 Å²	43	80.7 Å²	80.7	28%	0.279	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-63.1	124	172.6	-20.6	33.2	0	0	0	109.6	R50 Y59 H63	R50-P65 WeakPolarHBondContact CB-O 3.43Å; R50-P65 PolarHBondContact N-O 3.33Å; Y59-P65 HydrophobicContact CE1-CG 4.34Å; H63-P65 VanDerWaalsContact O-CD 3.24Å; H63-P65 WeakPolarHBondContact O-CD 3.47Å
66	T	86.3	Confident	81.3	Confident	89 Å²	89	89.1 Å²	89.1	55%	0.546	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-102.9	143.6	176	56.2	0	0	0	0	110.4	S51 V64	S51-T66 PolarHBondContact OG-O 2.93Å; V64-T66 HydrophobicContact CG1-CG2 4.43Å; V64-T66 PolarHBondContact O-N 2.98Å
67	P	81.5	Confident	79.9	Confident	54 Å²	54	91 Å²	91	35%	0.351	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-58.5	154.7	171.6	25.7	-33.8	0	0	0	108.9	S51	S51-P67 WeakPolarHBondContact OG-CA 3.14Å
68	A	73.4	Confident	77.9	Confident	80 Å²	80	95.5 Å²	95.5	66%	0.661	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-47.1	143.1	175.4	0	0	0	0	0	109.6	H70	A68-H70 PolarHBondContact O-N 3.05Å
69	P	74.7	Confident	76.3	Confident	123 Å²	123	103.2 Å²	103.2	80%	0.799	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-51.2	119.2	177.1	19.6	-29.5	0	0	0	108	D71	P69-D71 PolarHBondContact O-N 2.77Å
70	H	65.4	Low	74.5	Confident	161 Å²	161	110.8 Å²	110.8	75%	0.745	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-53.3	128.9	173.7	-79.3	-102	0	0	0	107	A68	A68-H70 PolarHBondContact O-N 3.05Å
71	D	63.2	Low	72.3	Confident	146 Å²	146	118.7 Å²	118.7	78%	0.781	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-47.2	132	168	-67.5	-67.8	0	0	0	107.8	P69 I73	P69-D71 PolarHBondContact O-N 2.77Å; D71-I73 PolarHBondContact O-N 3.06Å
72	P	65.5	Low	70.1	Confident	115 Å²	115	116.3 Å²	116.3	75%	0.747	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-50.5	122.4	-176.6	18.4	-30.2	0	0	0	108.2	P74	P72-P74 VanDerWaalsContact O-CD 3.3Å; P72-P74 WeakPolarHBondContact O-CD 3.39Å
73	I	60.7	Low	68.2	Low	157 Å²	157	114.9 Å²	114.9	81%	0.805	63%	0.628	S	S	*	*			trans	-47.7	114.2	178.6	-60.7	164.9	0	0	0	106	D71 H75	D71-I73 PolarHBondContact O-N 3.06Å; I73-H75 PolarHBondContact O-N 3.42Å
74	P	59.3	Low	65.7	Low	111 Å²	111	120.6 Å²	120.6	72%	0.721	65%	0.652	S	S	*	*			trans	-58.4	121.4	-176.5	19.6	-29.3	0	0	0	106.7	P72 R76	P72-P74 VanDerWaalsContact O-CD 3.3Å; P72-P74 WeakPolarHBondContact O-CD 3.39Å; P74-R76 PolarHBondContact O-N 2.87Å
75	H	62.6	Low	63.3	Low	133 Å²	133	126.3 Å²	126.3	62%	0.616	69%	0.687	S	S	*	*			trans	-44.2	135.4	-179.5	179	-89.5	0	0	0	109.1	I73 S77	I73-H75 PolarHBondContact O-N 3.42Å; H75-S77 PolarHBondContact CE1-OG 3.27Å; H75-S77 PolarHBondContact ND1-OG 3.1Å; H75-S77 PolarHBondContact O-N 3.14Å
76	R	62.1	Low	60.7	Low	206 Å²	206	133.9 Å²	133.9	78%	0.777	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-44.7	-11	-169.7	74.2	-177.6	-168.5	-138.3	0.7	117.3	P74 N78	P74-R76 PolarHBondContact O-N 2.87Å; R76-N78 PolarHBondContact O-N 2.65Å
77	S	60.7	Low	58.2	Low	77 Å²	77	132.1 Å²	132.1	54%	0.538	72%	0.715	S	S	.	*	G	3₁₀ helix	trans	-55.8	-27.8	-178.9	-46.9	0	0	0	0	113.7	H75	H75-S77 PolarHBondContact CE1-OG 3.27Å; H75-S77 PolarHBondContact ND1-OG 3.1Å; H75-S77 PolarHBondContact O-N 3.14Å
78	N	54.2	Low	55.9	Low	123 Å²	123	138.6 Å²	138.6	66%	0.658	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-115.6	23.1	-167.2	-75.3	2.4	0	0	0	115.8	R76 L80 Y81	R76-N78 PolarHBondContact O-N 2.65Å; N78-L80 PolarHBondContact O-N 2.77Å; N78-Y81 PolarHBondContact O-N 2.8Å
79	L	60.8	Low	54.2	Low	163 Å²	163	145 Å²	145	85%	0.853	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-3.8	171	-72.7	176.7	0	0	0	114.6	Y81	L79-Y81 VanDerWaalsContact C-N 3.34Å
80	L	60	Low	52.5	Low	173 Å²	173	143.3 Å²	143.3	91%	0.906	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-8	170.6	-73.7	163.3	0	0	0	113.7	N78 S82	N78-L80 PolarHBondContact O-N 2.77Å; L80-S82 PolarHBondContact O-N 2.86Å
81	Y	52	Low	51.3	Low	184 Å²	184	145.6 Å²	145.6	72%	0.722	75%	0.749	S	S	*	*			trans	-87.9	97.2	175.4	-165.9	-110.9	0	0	0	110.1	N78 L79 P83	N78-Y81 PolarHBondContact O-N 2.8Å; L79-Y81 VanDerWaalsContact C-N 3.34Å; Y81-P83 VanDerWaalsContact C-CD 3.44Å; Y81-P83 HydrophobicContact CD1-CB 4.34Å; Y81-P83 HydrophobicContact CD1-CG 3.8Å; Y81-P83 HydrophobicContact CE1-CB 3.7Å; Y81-P83 HydrophobicContact CE1-CG 3.55Å; Y81-P83 WeakPolarHBondContact O-CD 3.12Å
82	S	48.5	Very low	50.9	Low	105 Å²	105	143.1 Å²	143.1	73%	0.734	74%	0.744	S	S	*	*			trans	-100	88.5	169	-163	0	0	0	0	109	L80 K84	L80-S82 PolarHBondContact O-N 2.86Å; S82-K84 PolarHBondContact O-N 2.95Å; S82-K84 VanDerWaalsContact O-N 3.1Å
83	P	55.3	Low	49.8	Very low	78 Å²	78	145.9 Å²	145.9	51%	0.506	75%	0.748	S	S	.	*			trans	-72.4	106.4	167.2	27.1	-26.2	0	0	0	107.1	Y81 T85	Y81-P83 VanDerWaalsContact C-CD 3.44Å; Y81-P83 HydrophobicContact CD1-CB 4.34Å; Y81-P83 HydrophobicContact CD1-CG 3.8Å; Y81-P83 HydrophobicContact CE1-CB 3.7Å; Y81-P83 HydrophobicContact CE1-CG 3.55Å; Y81-P83 WeakPolarHBondContact O-CD 3.12Å; P83-T85 PolarHBondContact O-N 3.06Å
84	K	44	Very low	49.1	Very low	195 Å²	195	144.5 Å²	144.5	85%	0.848	75%	0.747	S	S	*	*			trans	-40.5	94.9	176.1	-58.2	173.4	179.8	-179.6	0	111.2	S82 K86	S82-K84 PolarHBondContact O-N 2.95Å; S82-K84 VanDerWaalsContact O-N 3.1Å; K84-K86 PolarHBondContact O-N 2.96Å
85	T	45.2	Very low	48.4	Very low	137 Å²	137	150.2 Å²	150.2	84%	0.84	76%	0.755	S	S	*	*			trans	-73.1	109.4	162.4	47.1	0	0	0	0	106.4	P83 G87	P83-T85 PolarHBondContact O-N 3.06Å; T85-G87 PolarHBondContact O-N 3.23Å
86	K	38.7	Very low	47.5	Very low	202 Å²	202	154.5 Å²	154.5	88%	0.878	77%	0.767	S	S	*	*			trans	-65.4	79.2	166.2	-68	-176	176.8	-176.1	0	107.8	K84	K84-K86 PolarHBondContact O-N 2.96Å
87	G	35.3	Very low	46.4	Very low	52 Å²	52	149.6 Å²	149.6	54%	0.536	76%	0.764	S	S	.	*			trans	-99	91.2	168.5	0	0	0	0	0	107.7	T85 Y89	T85-G87 PolarHBondContact O-N 3.23Å; G87-Y89 WeakPolarHBondContact O-CD1 3.3Å; G87-Y89 PolarHBondContact O-N 3.41Å
88	E	32.5	Very low	46.4	Very low	190 Å²	190	154.4 Å²	154.4	89%	0.888	80%	0.798	S	S	*	*			trans	-60.3	90.9	163.9	-77	166.3	104.7	0	0	108.4	A90	E88-A90 PolarHBondContact O-N 2.84Å
89	Y	38.8	Very low	46	Very low	215 Å²	215	156 Å²	156	84%	0.843	81%	0.805	S	S	*	*			trans	-78.9	75.5	162.1	63	-81.8	0	0	0	107.3	G87 Y91	G87-Y89 WeakPolarHBondContact O-CD1 3.3Å; G87-Y89 PolarHBondContact O-N 3.41Å; Y89-Y91 PolarHBondContact O-N 2.95Å
90	A	38.9	Very low	45.2	Very low	87 Å²	87	155.6 Å²	155.6	72%	0.719	80%	0.802	S	S	*	*			trans	-74.5	81.7	165.5	0	0	0	0	0	107.7	E88 S92	E88-A90 PolarHBondContact O-N 2.84Å; A90-S92 PolarHBondContact O-N 3.23Å
91	Y	40	Very low	44.4	Very low	208 Å²	208	154.6 Å²	154.6	82%	0.816	80%	0.796	S	S	*	*			trans	-65	86.1	162.2	-174.5	-98.1	0	0	0	106.8	Y89 M93	Y89-Y91 PolarHBondContact O-N 2.95Å; Y91-M93 PolarHBondContact O-N 2.92Å
92	S	53	Low	44	Very low	95 Å²	95	152.9 Å²	152.9	66%	0.664	80%	0.801	S	S	*	*			trans	-68.3	98.6	-178.7	54.7	0	0	0	0	109.2	A90 T94	A90-S92 PolarHBondContact O-N 3.23Å; S92-T94 PolarHBondContact O-N 3.17Å; S92-T94 VanDerWaalsContact O-N 3.17Å
93	M	44	Very low	43.7	Very low	172 Å²	172	155.9 Å²	155.9	85%	0.847	81%	0.805	S	S	*	*			trans	-59.1	105.8	156.4	-80	176.2	149.1	0	0	108.7	Y91	Y91-M93 PolarHBondContact O-N 2.92Å
94	T	45.8	Very low	42.9	Very low	128 Å²	128	161.1 Å²	161.1	79%	0.785	83%	0.825	S	S	*	*			trans	-122.8	121.3	161.7	44.2	0	0	0	0	110.1	S92	S92-T94 PolarHBondContact O-N 3.17Å; S92-T94 VanDerWaalsContact O-N 3.17Å
95	R	45	Very low	42.8	Very low	232 Å²	232	158.6 Å²	158.6	88%	0.875	82%	0.823	S	S	*	*			trans	-65.4	139.4	-177.6	-53.1	170.9	-160.1	-158.1	2.9	109.5
96	Y	42.6	Very low	42.6	Very low	223 Å²	223	160.3 Å²	160.3	88%	0.875	82%	0.822	S	S	*	*			trans	-113	97.3	155.7	-146.1	-95.1	0	0	0	107.5
97	S	40	Very low	43	Very low	102 Å²	102	156.8 Å²	156.8	71%	0.713	82%	0.817	S	S	*	*			trans	-91	128.2	160.6	-67.3	0	0	0	0	107.2
98	S	59.8	Low	43.7	Very low	178 Å²	178	166.4 Å²	166.4	100%	1.245	84%	0.843	S	S	*	*			trans	-154.4	0	142.2	-70.6	0	0	0	0	107

Retrieved 98 of 98 residues in 91.4 ms (Link to these results)

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