A0A146MG43_SCHMA Loading...

UPF0506 domain-containing protein

AlphaFold DB , UniProt , Accession A0A146MG43, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 85 aa.

						>A0A146MG43_SCHMA|A0A146MG43
MRLFSFLFAIVLAFSWQANHNIDACKGIGEICSKTIFDRCCDGSVCKLRGPFYGECVDCLTSGNRCWRNSECCSGYCNWFTCRDI
					

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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	61.9	Low	72.8	Confident	217 Å²	217	130.5 Å²	130.5	100%	1.069	65%	0.648	S	S	*	*				0	-50	0	-65.3	177.2	147.8	0	0	112.7	F4	M1-F4 PolarHBondContact O-N 3.3Å
2	R	67.2	Low	72.6	Confident	213 Å²	213	125.8 Å²	125.8	80%	0.804	63%	0.626	S	S	*	*	H	α-helix	trans	-65.4	-40.8	-177.4	-68.1	-179	165.3	169.1	-4.7	115.2	F4 S5 F6	R2-F4 VanDerWaalsContact C-N 3.31Å; R2-F4 PolarHBondContact O-N 3.5Å; R2-S5 PolarHBondContact O-N 3.29Å; R2-F6 WeakPolarHBondContact O-CD2 3.45Å; R2-F6 PolarHBondContact O-N 3.35Å
3	L	64.1	Low	72.5	Confident	139 Å²	139	120.5 Å²	120.5	73%	0.728	61%	0.614	S	S	*	*	H	α-helix	trans	-61.7	-35.6	179	-98	101.8	0	0	0	113.7	F6 L7	L3-F6 PolarHBondContact O-N 3.49Å; L3-L7 WeakPolarHBondContact O-CG 3.45Å; L3-L7 PolarHBondContact O-N 3.13Å
4	F	69.3	Low	71.9	Confident	168 Å²	168	122.1 Å²	122.1	74%	0.737	62%	0.615	S	S	*	*	H	α-helix	trans	-67.9	-39.3	-178.4	-124.9	-89	0	0	0	111.6	M1 R2 F6 L7 F8	M1-F4 PolarHBondContact O-N 3.3Å; R2-F4 VanDerWaalsContact C-N 3.31Å; R2-F4 PolarHBondContact O-N 3.5Å; F4-F6 VanDerWaalsContact C-N 3.35Å; F4-F6 PolarHBondContact O-N 3.44Å; F4-L7 PolarHBondContact O-N 3.37Å; F4-F8 WeakPolarHBondContact O-CB 3.19Å; F4-F8 PolarHBondContact O-N 2.86Å
5	S	72.9	Confident	71.2	Confident	83 Å²	83	118.2 Å²	118.2	58%	0.58	60%	0.604	S	S	*	*	H	α-helix	trans	-64.8	-35.9	173.5	-64.1	0	0	0	0	112.9	R2 A9	R2-S5 PolarHBondContact O-N 3.29Å; S5-A9 WeakPolarHBondContact O-CB 3.33Å; S5-A9 PolarHBondContact O-N 3.38Å
6	F	74.7	Confident	70.2	Confident	145 Å²	145	123.5 Å²	123.5	64%	0.636	61%	0.614	S	S	*	*	H	α-helix	trans	-67.9	-44.9	175.6	-82.9	-72.6	0	0	0	112.2	R2 L3 F4 F8 A9 I10	R2-F6 WeakPolarHBondContact O-CD2 3.45Å; R2-F6 PolarHBondContact O-N 3.35Å; L3-F6 PolarHBondContact O-N 3.49Å; F4-F6 VanDerWaalsContact C-N 3.35Å; F4-F6 PolarHBondContact O-N 3.44Å; F6-F8 VanDerWaalsContact C-N 3.3Å; F6-F8 PolarHBondContact O-N 2.92Å; F6-A9 PolarHBondContact O-N 2.95Å; F6-I10 VanDerWaalsContact O-CG1 3.25Å; F6-I10 WeakPolarHBondContact O-CG1 3.22Å; F6-I10 PolarHBondContact O-N 3.46Å
7	L	76.1	Confident	69.4	Low	99 Å²	99	125.5 Å²	125.5	52%	0.518	62%	0.622	S	S	.	*	H	α-helix	trans	-61.8	-40.6	176.2	-69.9	171.2	0	0	0	111.5	L3 F4 I10 V11	L3-L7 WeakPolarHBondContact O-CG 3.45Å; L3-L7 PolarHBondContact O-N 3.13Å; F4-L7 PolarHBondContact O-N 3.37Å; L7-I10 PolarHBondContact O-N 3.33Å; L7-V11 WeakPolarHBondContact O-CG2 3.35Å; L7-V11 PolarHBondContact O-N 2.96Å
8	F	78.7	Confident	68.5	Low	137 Å²	137	123.2 Å²	123.2	60%	0.601	63%	0.625	S	S	*	*	H	α-helix	trans	-64	-42.7	176.2	-166.5	-103.8	0	0	0	112.3	F4 F6 I10 V11 L12	F4-F8 WeakPolarHBondContact O-CB 3.19Å; F4-F8 PolarHBondContact O-N 2.86Å; F6-F8 VanDerWaalsContact C-N 3.3Å; F6-F8 PolarHBondContact O-N 2.92Å; F8-I10 VanDerWaalsContact C-N 3.33Å; F8-I10 PolarHBondContact O-N 2.97Å; F8-V11 PolarHBondContact O-N 3.44Å; F8-L12 HydrophobicContact CD1-CD1 3.79Å; F8-L12 HydrophobicContact CD1-CG 4.35Å; F8-L12 HydrophobicContact CE1-CD1 3.55Å; F8-L12 HydrophobicContact CE1-CG 4.18Å; F8-L12 HydrophobicContact CZ-CD1 4.33Å; F8-L12 WeakPolarHBondContact O-CG 3.4Å; F8-L12 PolarHBondContact O-N 3.4Å
9	A	79.5	Confident	67.6	Low	53 Å²	53	123.5 Å²	123.5	44%	0.438	63%	0.629	S	S	.	*	H	α-helix	trans	-64	-36.8	175.4	0	0	0	0	0	112.7	S5 F6 A13	S5-A9 WeakPolarHBondContact O-CB 3.33Å; S5-A9 PolarHBondContact O-N 3.38Å; F6-A9 PolarHBondContact O-N 2.95Å; A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 3.01Å
10	I	78.4	Confident	66.8	Low	84 Å²	84	124.3 Å²	124.3	43%	0.431	63%	0.63	S	S	.	*	H	α-helix	trans	-66.3	-47.6	175.6	-69.5	165.8	0	0	0	110.6	F6 L7 F8 L12 A13 F14	F6-I10 VanDerWaalsContact O-CG1 3.25Å; F6-I10 WeakPolarHBondContact O-CG1 3.22Å; F6-I10 PolarHBondContact O-N 3.46Å; L7-I10 PolarHBondContact O-N 3.33Å; F8-I10 VanDerWaalsContact C-N 3.33Å; F8-I10 PolarHBondContact O-N 2.97Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 3.29Å; I10-A13 PolarHBondContact O-N 3.46Å; I10-A13 VanDerWaalsContact O-N 3.13Å; I10-F14 HydrophobicContact CG2-CD2 3.52Å; I10-F14 HydrophobicContact CG2-CE2 3.43Å; I10-F14 VanDerWaalsContact CG2-CE2 3.43Å; I10-F14 WeakPolarHBondContact O-CD2 3.25Å; I10-F14 PolarHBondContact O-N 3.01Å
11	V	77.4	Confident	66.2	Low	97 Å²	97	122.7 Å²	122.7	59%	0.588	62%	0.623	S	S	*	*	H	α-helix	trans	-60.4	-40.8	177.2	171.4	0	0	0	0	111.4	L7 F8 F14 S15	L7-V11 WeakPolarHBondContact O-CG2 3.35Å; L7-V11 PolarHBondContact O-N 2.96Å; F8-V11 PolarHBondContact O-N 3.44Å; V11-F14 PolarHBondContact O-N 3.04Å; V11-S15 PolarHBondContact O-N 3.31Å; V11-S15 PolarHBondContact O-OG 2.92Å
12	L	71	Confident	65.8	Low	74 Å²	74	119.3 Å²	119.3	39%	0.387	61%	0.607	S	S	.	*	H	α-helix	trans	-61.8	-52.4	171	-69.3	176	0	0	0	110.3	F8 I10 F14 S15 W16	F8-L12 HydrophobicContact CD1-CD1 3.79Å; F8-L12 HydrophobicContact CD1-CG 4.35Å; F8-L12 HydrophobicContact CE1-CD1 3.55Å; F8-L12 HydrophobicContact CE1-CG 4.18Å; F8-L12 HydrophobicContact CZ-CD1 4.33Å; F8-L12 WeakPolarHBondContact O-CG 3.4Å; F8-L12 PolarHBondContact O-N 3.4Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 3.29Å; L12-F14 PolarHBondContact O-N 2.72Å; L12-F14 VanDerWaalsContact O-N 3.11Å; L12-S15 PolarHBondContact O-N 3.31Å; L12-S15 PolarHBondContact O-OG 3.36Å; L12-W16 PolarHBondContact O-N 2.91Å; L12-W16 PolarHBondContact O-NE1 3.44Å
13	A	70.7	Confident	65.4	Low	57 Å²	57	115.6 Å²	115.6	47%	0.471	60%	0.604	S	S	.	*	H	α-helix	trans	-55.5	-36.6	178.9	0	0	0	0	0	113.6	A9 I10	A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 3.01Å; I10-A13 PolarHBondContact O-N 3.46Å; I10-A13 VanDerWaalsContact O-N 3.13Å
14	F	64.3	Low	66.2	Low	143 Å²	143	111.3 Å²	111.3	63%	0.627	59%	0.588	S	S	*	*	H	α-helix	trans	-71.3	-36.5	175.7	-83	-70.4	0	0	0	113.6	I10 V11 L12 W16 Q17 A18	I10-F14 HydrophobicContact CG2-CD2 3.52Å; I10-F14 HydrophobicContact CG2-CE2 3.43Å; I10-F14 VanDerWaalsContact CG2-CE2 3.43Å; I10-F14 WeakPolarHBondContact O-CD2 3.25Å; I10-F14 PolarHBondContact O-N 3.01Å; V11-F14 PolarHBondContact O-N 3.04Å; L12-F14 PolarHBondContact O-N 2.72Å; L12-F14 VanDerWaalsContact O-N 3.11Å; F14-W16 PolarHBondContact O-N 3.39Å; F14-Q17 PolarHBondContact O-N 3.03Å; F14-A18 PolarHBondContact O-N 3.22Å
15	S	61.8	Low	67.1	Low	64 Å²	64	106 Å²	106	45%	0.448	57%	0.571	S	S	.	*	H	α-helix	trans	-69.2	-19.7	178.6	63.1	0	0	0	0	113.2	V11 L12	V11-S15 PolarHBondContact O-N 3.31Å; V11-S15 PolarHBondContact O-OG 2.92Å; L12-S15 PolarHBondContact O-N 3.31Å; L12-S15 PolarHBondContact O-OG 3.36Å
16	W	55.4	Low	68	Low	203 Å²	203	104.1 Å²	104.1	77%	0.769	55%	0.553	S	S	*	*	H	α-helix	trans	-80.3	-28.1	178.1	-64.8	44.6	0	0	0	112	L12 F14	L12-W16 PolarHBondContact O-N 2.91Å; L12-W16 PolarHBondContact O-NE1 3.44Å; F14-W16 PolarHBondContact O-N 3.39Å
17	Q	56.2	Low	68.9	Low	158 Å²	158	98.4 Å²	98.4	74%	0.738	54%	0.535	S	S	*	.	H	α-helix	trans	-85.6	-21	173.9	-74.5	174	38	0	0	113.1	F14 N19	F14-Q17 PolarHBondContact O-N 3.03Å; Q17-N19 PolarHBondContact O-N 3.34Å
18	A	53.3	Low	69.8	Low	83 Å²	83	98.3 Å²	98.3	69%	0.686	53%	0.534	S	S	*	.	S	Bend	trans	-73.1	-6.8	178	0	0	0	0	0	113.8	F14 H20	F14-A18 PolarHBondContact O-N 3.22Å; A18-H20 PolarHBondContact O-N 3.03Å; A18-H20 VanDerWaalsContact O-N 3.09Å
19	N	51.9	Low	70.6	Confident	129 Å²	129	93.7 Å²	93.7	69%	0.69	53%	0.525	S	S	*	.			trans	-85.6	46.6	173.3	-153.8	5.1	0	0	0	111.6	Q17 N21	Q17-N19 PolarHBondContact O-N 3.34Å; N19-N21 PolarHBondContact O-N 2.99Å
20	H	51.4	Low	71.3	Confident	140 Å²	140	95.7 Å²	95.7	65%	0.648	53%	0.525	S	S	*	.			trans	-76.4	69.1	170.2	-168.7	-71.2	0	0	0	109	A18 I22	A18-H20 PolarHBondContact O-N 3.03Å; A18-H20 VanDerWaalsContact O-N 3.09Å; H20-I22 PolarHBondContact O-N 3.46Å
21	N	53.2	Low	72	Confident	90 Å²	90	96.8 Å²	96.8	48%	0.481	53%	0.53	S	S	.	.			trans	35.2	81	142.8	-80.9	-65.4	0	0	0	115.8	N19 D23 A24	N19-N21 PolarHBondContact O-N 2.99Å; N21-D23 PolarHBondContact O-N 3.11Å; N21-A24 HydrophobicContact CB-CB 3.3Å; N21-A24 WeakPolarHBondContact OD1-CB 3.48Å
22	I	54.6	Low	72.8	Confident	146 Å²	146	92.2 Å²	92.2	75%	0.749	50%	0.503	S	S	*	.	S	Bend	trans	-62.7	-16.3	156.2	-69.6	170.5	0	0	0	110.3	H20	H20-I22 PolarHBondContact O-N 3.46Å
23	D	59.2	Low	73.8	Confident	136 Å²	136	89.8 Å²	89.8	73%	0.727	49%	0.492	S	S	*	.	S	Bend	trans	-111.5	-5.8	-177.5	-68	-50.9	0	0	0	116	N21 C25	N21-D23 PolarHBondContact O-N 3.11Å; D23-C25 PolarHBondContact O-N 2.83Å
24	A	80.3	Confident	74.6	Confident	49 Å²	49	88.9 Å²	88.9	41%	0.405	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-82	125.3	172.7	0	0	0	0	0	109.4	N21	N21-A24 HydrophobicContact CB-CB 3.3Å; N21-A24 WeakPolarHBondContact OD1-CB 3.48Å
25	C	88.9	Confident	75.7	Confident	56 Å²	56	84.4 Å²	84.4	38%	0.378	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-69.1	161.9	167.1	59.7	0	0	0	0	110.9	D23 R39 C41	D23-C25 PolarHBondContact O-N 2.83Å; C25-R39 CarbonylContact C-O 3.43Å; C25-R39 WeakPolarHBondContact CA-O 3.45Å; C25-R39 WeakPolarHBondContact CB-O 3.3Å; C25-C41 HydrophobicContact CB-CB 3.86Å; C25-C41 WeakPolarHBondContact CB-SG 3.24Å; C25-C41 PolarHBondContact O-SG 2.96Å; C25-C41 VanDerWaalsContact O-SG 3.35Å; C25-C41 WeakPolarHBondContact SG-CA 3.35Å; C25-C41 WeakPolarHBondContact SG-CB 3.4Å; C25-C41 CovalentContact SG-SG 2.02Å; C25-C41 PolarHBondContact SG-SG 3.03Å
26	K	91.3	Very high	76.6	Confident	43 Å²	43	87.7 Å²	87.7	19%	0.187	47%	0.473	C	S	.	.	B	Isolated β-bridge	trans	-91.8	126.4	177.1	-61.6	-57.8	-173	-177.4	0	111	E30 D38 R39 C40 C41 C56	K26-E30 VanDerWaalsContact CA-OE2 3.25Å; K26-E30 WeakPolarHBondContact CA-OE2 3.27Å; K26-E30 HydrophobicContact CB-CB 4.08Å; K26-E30 HydrophobicContact CD-CB 4.42Å; K26-D38 WeakPolarHBondContact CE-OD1 3Å; K26-D38 VanDerWaalsContact CG-OD1 3.24Å; K26-D38 WeakPolarHBondContact CG-OD1 3.29Å; K26-R39 PolarHBondContact N-O 2.64Å; K26-C40 CarbonylContact O-C 3.47Å; K26-C40 VanDerWaalsContact O-CA 3.24Å; K26-C40 WeakPolarHBondContact O-CA 3.25Å; K26-C41 VanDerWaalsContact C-SG 3.59Å; K26-C41 PolarHBondContact O-N 3.28Å; K26-C56 WeakPolarHBondContact CB-SG 3.45Å
27	G	92.7	Very high	77.9	Confident	25 Å²	25	85.7 Å²	85.7	26%	0.258	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-66.4	164.5	173.7	0	0	0	0	0	112.4	G29 E30 C56	G27-G29 PolarHBondContact O-N 3Å; G27-E30 PolarHBondContact N-OE2 3.36Å; G27-E30 VanDerWaalsContact O-CB 3.3Å; G27-E30 WeakPolarHBondContact O-CB 3.35Å; G27-E30 PolarHBondContact O-N 2.02Å; G27-C56 VanDerWaalsContact O-CB 3.27Å; G27-C56 WeakPolarHBondContact O-CB 3.02Å
28	I	95.3	Very high	79.2	Confident	97 Å²	97	79.6 Å²	79.6	50%	0.497	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	134.1	173.3	-63	-66	0	0	0	109.9	E30 S44 D58	I28-E30 VanDerWaalsContact C-N 3.27Å; I28-E30 PolarHBondContact O-N 2.92Å; I28-S44 VanDerWaalsContact CD1-CB 3.46Å; I28-D58 WeakPolarHBondContact CD1-OD1 2.97Å
29	G	95.1	Very high	80.8	Confident	40 Å²	40	83.3 Å²	83.3	41%	0.412	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	-12.6	-176.6	0	0	0	0	0	114.9	G27 E55 C56	G27-G29 PolarHBondContact O-N 3Å; G29-E55 WeakPolarHBondContact CA-OE1 3.38Å; G29-E55 WeakPolarHBondContact O-CG 3.07Å; G29-C56 PolarHBondContact N-O 2.58Å
30	E	94.7	Very high	82.8	Confident	96 Å²	96	78 Å²	78	45%	0.449	41%	0.412	S	S	.	.	S	Bend	trans	-78.3	152.9	176.6	-63	-163.8	122.9	0	0	112.2	K26 G27 I28 E55 C56	K26-E30 VanDerWaalsContact CA-OE2 3.25Å; K26-E30 WeakPolarHBondContact CA-OE2 3.27Å; K26-E30 HydrophobicContact CB-CB 4.08Å; K26-E30 HydrophobicContact CD-CB 4.42Å; G27-E30 PolarHBondContact N-OE2 3.36Å; G27-E30 VanDerWaalsContact O-CB 3.3Å; G27-E30 WeakPolarHBondContact O-CB 3.35Å; G27-E30 PolarHBondContact O-N 2.02Å; I28-E30 VanDerWaalsContact C-N 3.27Å; I28-E30 PolarHBondContact O-N 2.92Å; E30-E55 WeakPolarHBondContact O-CA 3.31Å; E30-C56 PolarHBondContact O-N 3.36Å
31	I	93.8	Very high	84.7	Confident	106 Å²	106	72.4 Å²	72.4	54%	0.544	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	133.7	179.9	-63	171.2	0	0	0	109.8	Y53 G54	I31-Y53 HydrophobicContact CD1-CE2 4.24Å; I31-Y53 HydrophobicContact CG1-CE2 4.33Å; I31-Y53 HydrophobicContact CG2-CD2 3.93Å; I31-Y53 HydrophobicContact CG2-CE2 3.72Å; I31-G54 WeakPolarHBondContact CA-O 3.34Å
32	C	94	Very high	86.4	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.007	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	163.7	177.4	62.6	0	0	0	0	112	D38 C46 Y53 G54 E55	C32-D38 VanDerWaalsContact C-OD2 3.29Å; C32-D38 VanDerWaalsContact CA-OD2 3.22Å; C32-D38 WeakPolarHBondContact CA-OD2 3Å; C32-C46 HydrophobicContact CB-CB 3.91Å; C32-C46 WeakPolarHBondContact CB-SG 3.44Å; C32-C46 WeakPolarHBondContact SG-CA 3.39Å; C32-C46 WeakPolarHBondContact SG-CB 3.44Å; C32-C46 CovalentContact SG-SG 2.03Å; C32-C46 PolarHBondContact SG-SG 3.36Å; C32-Y53 CarbonylContact O-C 3.53Å; C32-G54 PolarHBondContact N-O 3.47Å; C32-G54 PolarHBondContact O-N 3.18Å; C32-G54 VanDerWaalsContact SG-C 3.55Å; C32-E55 PolarHBondContact SG-N 3.35Å; C32-E55 VanDerWaalsContact SG-N 3.41Å
33	S	92.2	Very high	88	Confident	23 Å²	23	72.8 Å²	72.8	16%	0.161	41%	0.408	C	S	.	.			trans	-118.9	2.2	-176.1	57.6	0	0	0	0	114.8	T35 D38 F52	S33-T35 PolarHBondContact O-N 3.48Å; S33-T35 PolarHBondContact OG-OG1 3.4Å; S33-T35 VanDerWaalsContact OG-OG1 3.07Å; S33-D38 WeakPolarHBondContact CB-OD2 3.24Å; S33-D38 PolarHBondContact N-OD2 3.47Å; S33-D38 WeakPolarHBondContact OG-CB 3.5Å; S33-D38 PolarHBondContact OG-OD2 2.8Å; S33-F52 VanDerWaalsContact CA-O 3.3Å; S33-F52 WeakPolarHBondContact CA-O 3.03Å; S33-F52 WeakPolarHBondContact CB-O 3.01Å
34	K	88	Confident	89.7	Confident	38 Å²	38	67.2 Å²	67.2	17%	0.165	38%	0.38	C	S	.	.	S	Bend	trans	53	35.2	-175	-157.5	167.2	-172.7	140	0	112.5	C46 L48 R65 E71	K34-C46 HydrophobicContact CB-CB 3.91Å; K34-C46 HydrophobicContact CG-CB 4.17Å; K34-C46 PolarHBondContact N-SG 2.9Å; K34-C46 VanDerWaalsContact N-SG 3.35Å; K34-C46 PolarHBondContact NZ-O 3.05Å; K34-L48 HydrophobicContact CB-CD1 4.2Å; K34-L48 HydrophobicContact CB-CD2 3.76Å; K34-L48 HydrophobicContact CB-CG 4.01Å; K34-L48 HydrophobicContact CD-CD1 3.74Å; K34-L48 HydrophobicContact CD-CG 3.83Å; K34-R65 PolarHBondContact NZ-O 3.02Å; K34-E71 VanDerWaalsContact CE-OE2 3.3Å; K34-E71 WeakPolarHBondContact CE-OE2 3.04Å; K34-E71 IonicContact NZ-OE2 2.7Å; K34-E71 PolarHBondContact NZ-OE2 2.04Å
35	T	86	Confident	90.4	Very high	49 Å²	49	65.8 Å²	65.8	30%	0.301	37%	0.366	S	S	.	.	S	Bend	trans	-104	164.1	173.5	67.4	0	0	0	0	110.3	S33 F37 D38 F52	S33-T35 PolarHBondContact O-N 3.48Å; S33-T35 PolarHBondContact OG-OG1 3.4Å; S33-T35 VanDerWaalsContact OG-OG1 3.07Å; T35-F37 PolarHBondContact O-N 2.03Å; T35-D38 PolarHBondContact O-N 2.86Å; T35-D38 WeakPolarHBondContact OG1-CB 2.97Å; T35-F52 HydrophobicContact CG2-CD1 4.27Å
36	I	81.9	Confident	90.8	Very high	133 Å²	133	63.5 Å²	63.5	68%	0.682	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.6	176.8	55.8	161.7	0	0	0	113.5
37	F	81.3	Confident	91.1	Very high	161 Å²	161	64.5 Å²	64.5	71%	0.706	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.4	-178.8	-53.5	-68.6	0	0	0	112.8	T35	T35-F37 PolarHBondContact O-N 2.03Å
38	D	83.6	Confident	91.2	Very high	31 Å²	31	65.2 Å²	65.2	17%	0.166	35%	0.352	C	S	.	.	S	Bend	trans	-138.7	74.1	-169.6	-166.1	16.5	0	0	0	109.4	K26 C32 S33 T35	K26-D38 WeakPolarHBondContact CE-OD1 3Å; K26-D38 VanDerWaalsContact CG-OD1 3.24Å; K26-D38 WeakPolarHBondContact CG-OD1 3.29Å; C32-D38 VanDerWaalsContact C-OD2 3.29Å; C32-D38 VanDerWaalsContact CA-OD2 3.22Å; C32-D38 WeakPolarHBondContact CA-OD2 3Å; S33-D38 WeakPolarHBondContact CB-OD2 3.24Å; S33-D38 PolarHBondContact N-OD2 3.47Å; S33-D38 WeakPolarHBondContact OG-CB 3.5Å; S33-D38 PolarHBondContact OG-OD2 2.8Å; T35-D38 PolarHBondContact O-N 2.86Å; T35-D38 WeakPolarHBondContact OG1-CB 2.97Å
39	R	87.4	Confident	91.1	Very high	160 Å²	160	67.9 Å²	67.9	60%	0.604	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-93.1	140.6	-174	-63.9	-174.9	-72	-152.1	-3.4	110	C25 K26	C25-R39 CarbonylContact C-O 3.43Å; C25-R39 WeakPolarHBondContact CA-O 3.45Å; C25-R39 WeakPolarHBondContact CB-O 3.3Å; K26-R39 PolarHBondContact N-O 2.64Å
40	C	93.1	Very high	91	Very high	19 Å²	19	67.1 Å²	67.1	13%	0.128	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-79.1	153.4	168.9	-52.4	0	0	0	0	111	K26 S44 C56	K26-C40 CarbonylContact O-C 3.47Å; K26-C40 VanDerWaalsContact O-CA 3.24Å; K26-C40 WeakPolarHBondContact O-CA 3.25Å; C40-S44 WeakPolarHBondContact CB-O 3.44Å; C40-S44 WeakPolarHBondContact CB-OG 3.1Å; C40-C56 HydrophobicContact CB-CB 3.62Å; C40-C56 WeakPolarHBondContact CB-SG 3.14Å; C40-C56 VanDerWaalsContact SG-CA 3.51Å; C40-C56 WeakPolarHBondContact SG-CB 3.5Å; C40-C56 CovalentContact SG-SG 2.03Å; C40-C56 PolarHBondContact SG-SG 2.78Å
41	C	92.3	Very high	90.7	Very high	21 Å²	21	68.1 Å²	68.1	14%	0.142	36%	0.363	C	S	.	.	S	Bend	trans	-75	160.7	-177.9	-62.7	0	0	0	0	112.5	C25 K26 G43 S44	C25-C41 HydrophobicContact CB-CB 3.86Å; C25-C41 WeakPolarHBondContact CB-SG 3.24Å; C25-C41 PolarHBondContact O-SG 2.96Å; C25-C41 VanDerWaalsContact O-SG 3.35Å; C25-C41 WeakPolarHBondContact SG-CA 3.35Å; C25-C41 WeakPolarHBondContact SG-CB 3.4Å; C25-C41 CovalentContact SG-SG 2.02Å; C25-C41 PolarHBondContact SG-SG 3.03Å; K26-C41 VanDerWaalsContact C-SG 3.59Å; K26-C41 PolarHBondContact O-N 3.28Å; C41-G43 PolarHBondContact O-N 2.85Å; C41-S44 PolarHBondContact N-OG 3.06Å; C41-S44 VanDerWaalsContact O-CB 3.29Å; C41-S44 WeakPolarHBondContact O-CB 3.38Å; C41-S44 PolarHBondContact O-N 2.83Å; C41-S44 PolarHBondContact O-OG 3.26Å
42	D	89	Confident	90.5	Very high	176 Å²	176	70.8 Å²	70.8	94%	0.941	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	29.1	164.6	-53.4	-44.1	0	0	0	115.9	S44	D42-S44 PolarHBondContact O-N 3.09Å
43	G	87.7	Confident	90.4	Very high	69 Å²	69	76 Å²	76	71%	0.711	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	4.2	-179.1	0	0	0	0	0	114.7	C41	C41-G43 PolarHBondContact O-N 2.85Å
44	S	94.8	Very high	90.6	Very high	19 Å²	19	75 Å²	75	13%	0.133	39%	0.385	C	S	.	.			trans	-63.5	164.6	169.5	66.2	0	0	0	0	111.6	I28 C40 C41 D42 V57	I28-S44 VanDerWaalsContact CD1-CB 3.46Å; C40-S44 WeakPolarHBondContact CB-O 3.44Å; C40-S44 WeakPolarHBondContact CB-OG 3.1Å; C41-S44 PolarHBondContact N-OG 3.06Å; C41-S44 VanDerWaalsContact O-CB 3.29Å; C41-S44 WeakPolarHBondContact O-CB 3.38Å; C41-S44 PolarHBondContact O-N 2.83Å; C41-S44 PolarHBondContact O-OG 3.26Å; D42-S44 PolarHBondContact O-N 3.09Å; S44-V57 VanDerWaalsContact CB-O 3.31Å; S44-V57 WeakPolarHBondContact CB-O 3.09Å
45	V	95.8	Very high	91	Very high	18 Å²	18	75.6 Å²	75.6	11%	0.109	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.8	-167.7	-65	0	0	0	0	112.1	K47 V57 L60 E71	V45-K47 PolarHBondContact O-N 2.87Å; V45-V57 HydrophobicContact CG2-CG2 4.07Å; V45-V57 PolarHBondContact N-O 3.41Å; V45-V57 PolarHBondContact O-N 3.37Å; V45-L60 HydrophobicContact CG2-CD2 3.9Å; V45-L60 HydrophobicContact CG2-CG 3.75Å; V45-E71 HydrophobicContact CG1-CB 4.08Å; V45-E71 HydrophobicContact CG1-CG 3.93Å
46	C	96.6	Very high	91.5	Very high	9 Å²	9	73.2 Å²	73.2	6%	0.061	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	109.6	178.8	-170.8	0	0	0	0	111.1	C32 K34 L48	C32-C46 HydrophobicContact CB-CB 3.91Å; C32-C46 WeakPolarHBondContact CB-SG 3.44Å; C32-C46 WeakPolarHBondContact SG-CA 3.39Å; C32-C46 WeakPolarHBondContact SG-CB 3.44Å; C32-C46 CovalentContact SG-SG 2.03Å; C32-C46 PolarHBondContact SG-SG 3.36Å; K34-C46 HydrophobicContact CB-CB 3.91Å; K34-C46 HydrophobicContact CG-CB 4.17Å; K34-C46 PolarHBondContact N-SG 2.9Å; K34-C46 VanDerWaalsContact N-SG 3.35Å; K34-C46 PolarHBondContact NZ-O 3.05Å; C46-L48 PolarHBondContact O-N 3.18Å
47	K	97	Very high	92.2	Very high	63 Å²	63	68.2 Å²	68.2	27%	0.274	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	100.3	172	-179.2	174.8	179.5	165.5	0	109.6	V45 R49 G54 E55 V57 L60 N64	V45-K47 PolarHBondContact O-N 2.87Å; K47-R49 PolarHBondContact O-N 2.78Å; K47-G54 CarbonylContact O-C 3.58Å; K47-G54 WeakPolarHBondContact O-CA 3.39Å; K47-E55 PolarHBondContact N-O 3.3Å; K47-E55 PolarHBondContact O-N 3.33Å; K47-V57 HydrophobicContact CB-CG1 4.14Å; K47-V57 HydrophobicContact CB-CG2 3.75Å; K47-V57 HydrophobicContact CD-CG1 4.3Å; K47-V57 HydrophobicContact CD-CG2 4.42Å; K47-L60 HydrophobicContact CB-CD2 3.71Å; K47-L60 HydrophobicContact CG-CD2 4.14Å; K47-N64 WeakPolarHBondContact CE-ND2 3.06Å; K47-N64 WeakPolarHBondContact CE-OD1 3.34Å
48	L	95.8	Very high	93	Very high	40 Å²	40	66.6 Å²	66.6	21%	0.209	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	128.5	177.5	-69.2	175.6	0	0	0	111.3	K34 C46 Y53	K34-L48 HydrophobicContact CB-CD1 4.2Å; K34-L48 HydrophobicContact CB-CD2 3.76Å; K34-L48 HydrophobicContact CB-CG 4.01Å; K34-L48 HydrophobicContact CD-CD1 3.74Å; K34-L48 HydrophobicContact CD-CG 3.83Å; C46-L48 PolarHBondContact O-N 3.18Å; L48-Y53 WeakPolarHBondContact CA-O 3.49Å
49	R	93.9	Very high	93.6	Very high	154 Å²	154	67.5 Å²	67.5	58%	0.581	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	-17.2	168.8	-66.2	-176	172.5	154.9	5.3	112	K47 Y53 E55	K47-R49 PolarHBondContact O-N 2.78Å; R49-Y53 HydrophobicContact CB-CD1 4.12Å; R49-Y53 HydrophobicContact CB-CE1 4.28Å; R49-Y53 PolarHBondContact N-O 2.77Å; R49-E55 IonicContact CZ-OE2 3.01Å; R49-E55 IonicContact NH1-OE2 2.83Å; R49-E55 PolarHBondContact NH1-OE2 2.03Å; R49-E55 IonicContact NH2-OE1 3.93Å; R49-E55 IonicContact NH2-OE2 2.64Å; R49-E55 PolarHBondContact NH2-OE2 3.35Å
50	G	92.2	Very high	94.1	Very high	24 Å²	24	59.9 Å²	59.9	25%	0.247	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	-173.1	175.4	0	0	0	0	0	111.7	F52 Y53	G50-F52 PolarHBondContact O-N 2.03Å; G50-Y53 PolarHBondContact N-O 3.11Å; G50-Y53 PolarHBondContact O-N 3.33Å
51	P	89.3	Confident	94.3	Very high	117 Å²	117	62.4 Å²	62.4	76%	0.76	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	120.4	173.4	-21.8	33.6	0	0	0	110.9	Y53	P51-Y53 PolarHBondContact O-N 2.66Å
52	F	88.1	Confident	94.5	Very high	161 Å²	161	64.2 Å²	64.2	71%	0.706	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	25.8	179.2	-48.2	-71.9	0	0	0	114.9	S33 T35 G50	S33-F52 VanDerWaalsContact CA-O 3.3Å; S33-F52 WeakPolarHBondContact CA-O 3.03Å; S33-F52 WeakPolarHBondContact CB-O 3.01Å; T35-F52 HydrophobicContact CG2-CD1 4.27Å; G50-F52 PolarHBondContact O-N 2.03Å
53	Y	92.7	Very high	94.9	Very high	112 Å²	112	58.4 Å²	58.4	44%	0.439	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	128.9	179.5	176.5	-100	0	0	0	110.4	I31 C32 L48 R49 G50 P51	I31-Y53 HydrophobicContact CD1-CE2 4.24Å; I31-Y53 HydrophobicContact CG1-CE2 4.33Å; I31-Y53 HydrophobicContact CG2-CD2 3.93Å; I31-Y53 HydrophobicContact CG2-CE2 3.72Å; C32-Y53 CarbonylContact O-C 3.53Å; L48-Y53 WeakPolarHBondContact CA-O 3.49Å; R49-Y53 HydrophobicContact CB-CD1 4.12Å; R49-Y53 HydrophobicContact CB-CE1 4.28Å; R49-Y53 PolarHBondContact N-O 2.77Å; G50-Y53 PolarHBondContact N-O 3.11Å; G50-Y53 PolarHBondContact O-N 3.33Å; P51-Y53 PolarHBondContact O-N 2.66Å
54	G	96.1	Very high	95.3	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-167.7	-176.2	0	0	0	0	0	112.2	I31 C32 K47	I31-G54 WeakPolarHBondContact CA-O 3.34Å; C32-G54 PolarHBondContact N-O 3.47Å; C32-G54 PolarHBondContact O-N 3.18Å; C32-G54 VanDerWaalsContact SG-C 3.55Å; K47-G54 CarbonylContact O-C 3.58Å; K47-G54 WeakPolarHBondContact O-CA 3.39Å
55	E	95.9	Very high	95.4	Very high	50 Å²	50	62.6 Å²	62.6	23%	0.234	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.5	-179.5	-170.9	-179.3	129.5	0	0	109.8	G29 E30 C32 K47 R49	G29-E55 WeakPolarHBondContact CA-OE1 3.38Å; G29-E55 WeakPolarHBondContact O-CG 3.07Å; E30-E55 WeakPolarHBondContact O-CA 3.31Å; C32-E55 PolarHBondContact SG-N 3.35Å; C32-E55 VanDerWaalsContact SG-N 3.41Å; K47-E55 PolarHBondContact N-O 3.3Å; K47-E55 PolarHBondContact O-N 3.33Å; R49-E55 IonicContact CZ-OE2 3.01Å; R49-E55 IonicContact NH1-OE2 2.83Å; R49-E55 PolarHBondContact NH1-OE2 2.03Å; R49-E55 IonicContact NH2-OE1 3.93Å; R49-E55 IonicContact NH2-OE2 2.64Å; R49-E55 PolarHBondContact NH2-OE2 3.35Å
56	C	96.8	Very high	95.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.2	174.8	-66.7	0	0	0	0	111.1	K26 G27 G29 E30 C40	K26-C56 WeakPolarHBondContact CB-SG 3.45Å; G27-C56 VanDerWaalsContact O-CB 3.27Å; G27-C56 WeakPolarHBondContact O-CB 3.02Å; G29-C56 PolarHBondContact N-O 2.58Å; E30-C56 PolarHBondContact O-N 3.36Å; C40-C56 HydrophobicContact CB-CB 3.62Å; C40-C56 WeakPolarHBondContact CB-SG 3.14Å; C40-C56 VanDerWaalsContact SG-CA 3.51Å; C40-C56 WeakPolarHBondContact SG-CB 3.5Å; C40-C56 CovalentContact SG-SG 2.03Å; C40-C56 PolarHBondContact SG-SG 2.78Å
57	V	97.5	Very high	95.3	Very high	28 Å²	28	68.3 Å²	68.3	17%	0.17	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.5	179.3	-59.1	0	0	0	0	109.7	S44 V45 K47 C59 L60	S44-V57 VanDerWaalsContact CB-O 3.31Å; S44-V57 WeakPolarHBondContact CB-O 3.09Å; V45-V57 HydrophobicContact CG2-CG2 4.07Å; V45-V57 PolarHBondContact N-O 3.41Å; V45-V57 PolarHBondContact O-N 3.37Å; K47-V57 HydrophobicContact CB-CG1 4.14Å; K47-V57 HydrophobicContact CB-CG2 3.75Å; K47-V57 HydrophobicContact CD-CG1 4.3Å; K47-V57 HydrophobicContact CD-CG2 4.42Å; V57-C59 WeakPolarHBondContact CG2-O 3.4Å; V57-C59 PolarHBondContact O-N 2.73Å; V57-L60 HydrophobicContact CG2-CD2 4.19Å
58	D	96.9	Very high	95.2	Very high	127 Å²	127	74.1 Å²	74.1	68%	0.679	37%	0.369	S	S	*	.	S	Bend	trans	-59.3	-46	-178.5	-61.1	-42.1	0	0	0	112.4	I28	I28-D58 WeakPolarHBondContact CD1-OD1 2.97Å
59	C	97.2	Very high	95.2	Very high	49 Å²	49	76.2 Å²	76.2	33%	0.331	38%	0.38	S	S	.	.	S	Bend	trans	-153.6	161.3	176.6	61.6	0	0	0	0	111.7	V57 C73	V57-C59 WeakPolarHBondContact CG2-O 3.4Å; V57-C59 PolarHBondContact O-N 2.73Å; C59-C73 HydrophobicContact CB-CB 3.98Å; C59-C73 WeakPolarHBondContact CB-SG 3.3Å; C59-C73 VanDerWaalsContact SG-CA 3.59Å; C59-C73 WeakPolarHBondContact SG-CB 3.22Å; C59-C73 CovalentContact SG-SG 2.03Å; C59-C73 PolarHBondContact SG-SG 2.73Å
60	L	97.8	Very high	95.3	Very high	1 Å²	1	73.7 Å²	73.7	1%	0.005	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-87	127.2	178.7	-61.2	-177.8	0	0	0	111.3	V45 K47 V57 N64 R65 C66 E71 C72 C73 C82	V45-L60 HydrophobicContact CG2-CD2 3.9Å; V45-L60 HydrophobicContact CG2-CG 3.75Å; K47-L60 HydrophobicContact CB-CD2 3.71Å; K47-L60 HydrophobicContact CG-CD2 4.14Å; V57-L60 HydrophobicContact CG2-CD2 4.19Å; L60-N64 HydrophobicContact CB-CB 3.99Å; L60-N64 HydrophobicContact CD1-CB 4.5Å; L60-N64 HydrophobicContact CD2-CB 4.25Å; L60-N64 HydrophobicContact CG-CB 4.47Å; L60-R65 WeakPolarHBondContact CD1-O 3.3Å; L60-C66 HydrophobicContact CD1-CB 4.06Å; L60-E71 WeakPolarHBondContact CB-O 3.24Å; L60-E71 HydrophobicContact CD1-CB 3.87Å; L60-E71 HydrophobicContact CG-CB 4.3Å; L60-E71 PolarHBondContact N-O 3.23Å; L60-C72 WeakPolarHBondContact O-CA 3.48Å; L60-C73 VanDerWaalsContact C-SG 3.58Å; L60-C73 PolarHBondContact O-N 2.93Å; L60-C73 PolarHBondContact O-SG 3.08Å; L60-C73 VanDerWaalsContact O-SG 3.36Å; L60-C82 WeakPolarHBondContact CB-SG 3.38Å
61	T	97	Very high	95.5	Very high	72 Å²	72	73.6 Å²	73.6	44%	0.442	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-78.7	166.5	173.9	48.7	0	0	0	0	112	G63 N64 C82	T61-G63 PolarHBondContact O-N 3.45Å; T61-N64 PolarHBondContact N-OD1 3.24Å; T61-N64 WeakPolarHBondContact O-CB 3.48Å; T61-N64 PolarHBondContact O-N 2.79Å; T61-N64 VanDerWaalsContact O-N 3.11Å; T61-N64 PolarHBondContact O-OD1 3Å; T61-N64 PolarHBondContact OG1-OD1 2.81Å; T61-C82 WeakPolarHBondContact O-CB 3.21Å
62	S	97.3	Very high	95.9	Very high	59 Å²	59	68.3 Å²	68.3	41%	0.413	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	136.6	175.2	-158.7	0	0	0	0	112.6	N64 C82 D84	S62-N64 VanDerWaalsContact C-N 3.32Å; S62-N64 PolarHBondContact O-N 3.39Å; S62-C82 WeakPolarHBondContact CA-O 3.07Å; S62-D84 WeakPolarHBondContact CB-OD2 3.44Å; S62-D84 PolarHBondContact OG-OD2 3.12Å
63	G	96.4	Very high	96.3	Very high	53 Å²	53	64 Å²	64	55%	0.546	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-9.2	-176.9	0	0	0	0	0	115.6	T61 C82	T61-G63 PolarHBondContact O-N 3.45Å; G63-C82 PolarHBondContact N-O 3.13Å
64	N	96.9	Very high	96.6	Very high	30 Å²	30	60.7 Å²	60.7	16%	0.16	33%	0.327	C	S	.	.	S	Bend	trans	-82	149.8	176	-65.5	133.1	0	0	0	112.9	K47 L60 T61 S62 T81 C82	K47-N64 WeakPolarHBondContact CE-ND2 3.06Å; K47-N64 WeakPolarHBondContact CE-OD1 3.34Å; L60-N64 HydrophobicContact CB-CB 3.99Å; L60-N64 HydrophobicContact CD1-CB 4.5Å; L60-N64 HydrophobicContact CD2-CB 4.25Å; L60-N64 HydrophobicContact CG-CB 4.47Å; T61-N64 PolarHBondContact N-OD1 3.24Å; T61-N64 WeakPolarHBondContact O-CB 3.48Å; T61-N64 PolarHBondContact O-N 2.79Å; T61-N64 VanDerWaalsContact O-N 3.11Å; T61-N64 PolarHBondContact O-OD1 3Å; T61-N64 PolarHBondContact OG1-OD1 2.81Å; S62-N64 VanDerWaalsContact C-N 3.32Å; S62-N64 PolarHBondContact O-N 3.39Å; N64-T81 CarbonylContact O-C 3.57Å; N64-T81 WeakPolarHBondContact O-CA 3.46Å; N64-C82 PolarHBondContact O-N 3.44Å
65	R	95.8	Very high	96.6	Very high	147 Å²	147	62.5 Å²	62.5	56%	0.555	35%	0.346	S	S	*	.	B	Isolated β-bridge	trans	-75.6	124.9	-177.8	-174.1	175.6	-69.9	155.1	-0.7	111.8	K34 L60 F80	K34-R65 PolarHBondContact NZ-O 3.02Å; L60-R65 WeakPolarHBondContact CD1-O 3.3Å; R65-F80 CarbonylContact C-O 3.6Å; R65-F80 VanDerWaalsContact CA-O 3.23Å; R65-F80 WeakPolarHBondContact CA-O 3.13Å; R65-F80 WeakPolarHBondContact CG-O 3.22Å
66	C	95.6	Very high	96.7	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.35	C	S	.	.			trans	-126.6	154.7	-177.2	55.9	0	0	0	0	112.1	L60 E71 C72 C77 F80 T81 C82	L60-C66 HydrophobicContact CD1-CB 4.06Å; C66-E71 HydrophobicContact CB-CB 4.38Å; C66-C72 VanDerWaalsContact SG-SG 3.66Å; C66-C77 VanDerWaalsContact C-SG 3.52Å; C66-C77 HydrophobicContact CB-CB 3.88Å; C66-C77 WeakPolarHBondContact CB-SG 3.4Å; C66-C77 PolarHBondContact O-SG 3.22Å; C66-C77 WeakPolarHBondContact SG-CA 3.23Å; C66-C77 WeakPolarHBondContact SG-CB 2.97Å; C66-C77 CovalentContact SG-SG 2.02Å; C66-C77 PolarHBondContact SG-SG 3.27Å; C66-F80 PolarHBondContact N-O 3.4Å; C66-F80 WeakPolarHBondContact O-CA 3.44Å; C66-F80 VanDerWaalsContact SG-C 3.58Å; C66-T81 PolarHBondContact SG-N 3.04Å; C66-T81 VanDerWaalsContact SG-N 3.4Å; C66-C82 PolarHBondContact SG-N 3.18Å; C66-C82 VanDerWaalsContact SG-N 3.39Å
67	W	94.2	Very high	96.7	Very high	147 Å²	147	65.1 Å²	65.1	56%	0.557	36%	0.357	S	S	*	.	S	Bend	trans	-106	-29.1	168.1	-56.5	120.5	0	0	0	112.5	E71 F80	W67-E71 WeakPolarHBondContact CA-OE1 3.03Å; W67-E71 VanDerWaalsContact CB-OE1 3.27Å; W67-E71 WeakPolarHBondContact CB-OE1 3.38Å; W67-E71 PolarHBondContact N-OE1 3.37Å; W67-F80 AromaticContact CE3-CD1 3.54Å; W67-F80 HydrophobicContact CE3-CD1 3.54Å; W67-F80 AromaticContact CE3-CE1 3.72Å; W67-F80 HydrophobicContact CE3-CE1 3.72Å; W67-F80 AromaticContact CZ3-CD1 3.41Å; W67-F80 HydrophobicContact CZ3-CD1 3.41Å; W67-F80 VanDerWaalsContact CZ3-CD1 3.41Å; W67-F80 AromaticContact CZ3-CE1 3.51Å; W67-F80 HydrophobicContact CZ3-CE1 3.51Å; W67-F80 HydrophobicContact CZ3-CG 4.45Å
68	R	95	Very high	96.7	Very high	184 Å²	184	66.2 Å²	66.2	69%	0.694	36%	0.362	S	S	*	.	S	Bend	trans	-133.5	151.1	-178	-60.2	177.6	-178.9	179.1	-0.2	111.1	S70 E71	R68-S70 PolarHBondContact O-N 3.03Å; R68-E71 HydrophobicContact CB-CG 4.48Å; R68-E71 PolarHBondContact N-OE1 2.64Å; R68-E71 WeakPolarHBondContact O-CB 3.42Å; R68-E71 PolarHBondContact O-N 3.43Å; R68-E71 VanDerWaalsContact O-N 3.08Å
69	N	96.9	Very high	96.7	Very high	84 Å²	84	70 Å²	70	45%	0.449	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-53.9	-38	174.2	-78.7	-8.6	0	0	0	113.1	E71 C72 G75 C77	N69-E71 PolarHBondContact O-N 3.26Å; N69-E71 VanDerWaalsContact O-N 3.13Å; N69-C72 PolarHBondContact O-N 3.09Å; N69-C72 VanDerWaalsContact O-N 3.09Å; N69-G75 VanDerWaalsContact CB-O 3.22Å; N69-G75 WeakPolarHBondContact CB-O 3.39Å; N69-G75 CarbonylContact O-C 3.45Å; N69-G75 WeakPolarHBondContact O-CA 3.2Å; N69-C77 WeakPolarHBondContact OD1-CA 3.35Å; N69-C77 WeakPolarHBondContact OD1-CB 3.48Å; N69-C77 PolarHBondContact OD1-N 3.26Å; N69-C77 PolarHBondContact OD1-O 3.07Å
70	S	95.8	Very high	96.7	Very high	102 Å²	102	73 Å²	73	71%	0.713	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-64.3	-14.4	179.8	61	0	0	0	0	114.2	R68	R68-S70 PolarHBondContact O-N 3.03Å
71	E	95.9	Very high	96.6	Very high	21 Å²	21	75.2 Å²	75.2	10%	0.098	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-80.4	-25.7	175.5	-61.9	175.7	-132.1	0	0	112.4	K34 V45 L60 C66 W67 R68 N69	K34-E71 VanDerWaalsContact CE-OE2 3.3Å; K34-E71 WeakPolarHBondContact CE-OE2 3.04Å; K34-E71 IonicContact NZ-OE2 2.7Å; K34-E71 PolarHBondContact NZ-OE2 2.04Å; V45-E71 HydrophobicContact CG1-CB 4.08Å; V45-E71 HydrophobicContact CG1-CG 3.93Å; L60-E71 WeakPolarHBondContact CB-O 3.24Å; L60-E71 HydrophobicContact CD1-CB 3.87Å; L60-E71 HydrophobicContact CG-CB 4.3Å; L60-E71 PolarHBondContact N-O 3.23Å; C66-E71 HydrophobicContact CB-CB 4.38Å; W67-E71 WeakPolarHBondContact CA-OE1 3.03Å; W67-E71 VanDerWaalsContact CB-OE1 3.27Å; W67-E71 WeakPolarHBondContact CB-OE1 3.38Å; W67-E71 PolarHBondContact N-OE1 3.37Å; R68-E71 HydrophobicContact CB-CG 4.48Å; R68-E71 PolarHBondContact N-OE1 2.64Å; R68-E71 WeakPolarHBondContact O-CB 3.42Å; R68-E71 PolarHBondContact O-N 3.43Å; R68-E71 VanDerWaalsContact O-N 3.08Å; N69-E71 PolarHBondContact O-N 3.26Å; N69-E71 VanDerWaalsContact O-N 3.13Å
72	C	97.9	Very high	96.7	Very high	7 Å²	7	71.8 Å²	71.8	5%	0.047	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-87	137.1	-174.7	-58.6	0	0	0	0	110.5	L60 C66 N69 S74 G75 Y76 C82	L60-C72 WeakPolarHBondContact O-CA 3.48Å; C66-C72 VanDerWaalsContact SG-SG 3.66Å; N69-C72 PolarHBondContact O-N 3.09Å; N69-C72 VanDerWaalsContact O-N 3.09Å; C72-S74 PolarHBondContact O-N 2.86Å; C72-G75 PolarHBondContact O-N 3.13Å; C72-Y76 PolarHBondContact SG-O 3.02Å; C72-C82 WeakPolarHBondContact CA-SG 3.39Å; C72-C82 HydrophobicContact CB-CB 3.73Å; C72-C82 WeakPolarHBondContact CB-SG 3.41Å; C72-C82 WeakPolarHBondContact SG-CA 3.27Å; C72-C82 WeakPolarHBondContact SG-CB 3.43Å; C72-C82 CovalentContact SG-SG 2.04Å; C72-C82 PolarHBondContact SG-SG 3.03Å
73	C	97.5	Very high	96.7	Very high	69 Å²	69	74.1 Å²	74.1	47%	0.466	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.7	175	-52	0	0	0	0	112.1	C59 L60 G75	C59-C73 HydrophobicContact CB-CB 3.98Å; C59-C73 WeakPolarHBondContact CB-SG 3.3Å; C59-C73 VanDerWaalsContact SG-CA 3.59Å; C59-C73 WeakPolarHBondContact SG-CB 3.22Å; C59-C73 CovalentContact SG-SG 2.03Å; C59-C73 PolarHBondContact SG-SG 2.73Å; L60-C73 VanDerWaalsContact C-SG 3.58Å; L60-C73 PolarHBondContact O-N 2.93Å; L60-C73 PolarHBondContact O-SG 3.08Å; L60-C73 VanDerWaalsContact O-SG 3.36Å; C73-G75 VanDerWaalsContact C-N 3.3Å
74	S	97.2	Very high	96.6	Very high	43 Å²	43	77.1 Å²	77.1	30%	0.301	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10	174.2	60.7	0	0	0	0	114.2	C72 Y76 R83	C72-S74 PolarHBondContact O-N 2.86Å; S74-Y76 PolarHBondContact O-N 2.83Å; S74-Y76 PolarHBondContact OG-N 2.7Å; S74-R83 VanDerWaalsContact CB-O 3.24Å; S74-R83 WeakPolarHBondContact CB-O 3.06Å; S74-R83 PolarHBondContact OG-O 3.39Å
75	G	97.3	Very high	96.2	Very high	39 Å²	39	84.5 Å²	84.5	40%	0.402	41%	0.409	S	S	.	.	S	Bend	trans	69.8	13.6	-169	0	0	0	0	0	114.1	N69 C72 C73	N69-G75 VanDerWaalsContact CB-O 3.22Å; N69-G75 WeakPolarHBondContact CB-O 3.39Å; N69-G75 CarbonylContact O-C 3.45Å; N69-G75 WeakPolarHBondContact O-CA 3.2Å; C72-G75 PolarHBondContact O-N 3.13Å; C73-G75 VanDerWaalsContact C-N 3.3Å
76	Y	97.6	Very high	96.2	Very high	82 Å²	82	81.4 Å²	81.4	32%	0.322	40%	0.401	S	S	.	.			trans	-130.2	105.7	-173.5	-170.2	-125.1	0	0	0	113.6	C72 S74 N78 C82 R83 I85	C72-Y76 PolarHBondContact SG-O 3.02Å; S74-Y76 PolarHBondContact O-N 2.83Å; S74-Y76 PolarHBondContact OG-N 2.7Å; Y76-N78 HydrophobicContact CD1-CB 4.41Å; Y76-N78 HydrophobicContact CE1-CB 3.72Å; Y76-N78 HydrophobicContact CE2-CB 4.32Å; Y76-N78 PolarHBondContact OH-ND2 3.22Å; Y76-C82 WeakPolarHBondContact O-CA 3.45Å; Y76-R83 HydrophobicContact CD1-CB 3.78Å; Y76-R83 HydrophobicContact CE1-CB 4.09Å; Y76-R83 PolarHBondContact O-N 2.78Å; Y76-I85 HydrophobicContact CD1-CD1 4.4Å; Y76-I85 HydrophobicContact CD1-CG1 3.88Å; Y76-I85 HydrophobicContact CD2-CD1 4.36Å; Y76-I85 HydrophobicContact CG-CD1 3.89Å; Y76-I85 HydrophobicContact CG-CG1 3.88Å
77	C	97.9	Very high	96.2	Very high	23 Å²	23	85.7 Å²	85.7	16%	0.155	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	110.3	172.9	-176.1	0	0	0	0	109.3	C66 N69	C66-C77 VanDerWaalsContact C-SG 3.52Å; C66-C77 HydrophobicContact CB-CB 3.88Å; C66-C77 WeakPolarHBondContact CB-SG 3.4Å; C66-C77 PolarHBondContact O-SG 3.22Å; C66-C77 WeakPolarHBondContact SG-CA 3.23Å; C66-C77 WeakPolarHBondContact SG-CB 2.97Å; C66-C77 CovalentContact SG-SG 2.02Å; C66-C77 PolarHBondContact SG-SG 3.27Å; N69-C77 WeakPolarHBondContact OD1-CA 3.35Å; N69-C77 WeakPolarHBondContact OD1-CB 3.48Å; N69-C77 PolarHBondContact OD1-N 3.26Å; N69-C77 PolarHBondContact OD1-O 3.07Å
78	N	97.5	Very high	96.4	Very high	51 Å²	51	82.3 Å²	82.3	27%	0.273	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.1	179	-173.8	-94.8	0	0	0	110.9	Y76 F80 T81 R83	Y76-N78 HydrophobicContact CD1-CB 4.41Å; Y76-N78 HydrophobicContact CE1-CB 3.72Å; Y76-N78 HydrophobicContact CE2-CB 4.32Å; Y76-N78 PolarHBondContact OH-ND2 3.22Å; N78-F80 VanDerWaalsContact C-N 3.31Å; N78-F80 PolarHBondContact O-N 2.87Å; N78-T81 PolarHBondContact N-O 3.36Å; N78-T81 PolarHBondContact O-N 3.4Å; N78-R83 HydrophobicContact CB-CG 4.41Å; N78-R83 PolarHBondContact OD1-NH1 3.36Å; N78-R83 VanDerWaalsContact OD1-NH1 3.12Å; N78-R83 PolarHBondContact OD1-NH2 2.82Å; N78-R83 VanDerWaalsContact OD1-NH2 3.13Å
79	W	96.3	Very high	96.4	Very high	208 Å²	208	76.3 Å²	76.3	79%	0.788	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	49.8	-178.4	-155.9	-110.7	0	0	0	112.4	T81	W79-T81 PolarHBondContact O-N 3.12Å; W79-T81 VanDerWaalsContact O-N 3.12Å; W79-T81 PolarHBondContact O-OG1 2.02Å
80	F	96	Very high	96.4	Very high	111 Å²	111	75.8 Å²	75.8	49%	0.487	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	19	-177.4	-54.2	-78	0	0	0	115.3	R65 C66 W67 N78	R65-F80 CarbonylContact C-O 3.6Å; R65-F80 VanDerWaalsContact CA-O 3.23Å; R65-F80 WeakPolarHBondContact CA-O 3.13Å; R65-F80 WeakPolarHBondContact CG-O 3.22Å; C66-F80 PolarHBondContact N-O 3.4Å; C66-F80 WeakPolarHBondContact O-CA 3.44Å; C66-F80 VanDerWaalsContact SG-C 3.58Å; W67-F80 AromaticContact CE3-CD1 3.54Å; W67-F80 HydrophobicContact CE3-CD1 3.54Å; W67-F80 AromaticContact CE3-CE1 3.72Å; W67-F80 HydrophobicContact CE3-CE1 3.72Å; W67-F80 AromaticContact CZ3-CD1 3.41Å; W67-F80 HydrophobicContact CZ3-CD1 3.41Å; W67-F80 VanDerWaalsContact CZ3-CD1 3.41Å; W67-F80 AromaticContact CZ3-CE1 3.51Å; W67-F80 HydrophobicContact CZ3-CE1 3.51Å; W67-F80 HydrophobicContact CZ3-CG 4.45Å; N78-F80 VanDerWaalsContact C-N 3.31Å; N78-F80 PolarHBondContact O-N 2.87Å
81	T	96.8	Very high	96.5	Very high	47 Å²	47	74.1 Å²	74.1	29%	0.288	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.2	-176.7	-49.6	0	0	0	0	110.2	N64 C66 N78 W79	N64-T81 CarbonylContact O-C 3.57Å; N64-T81 WeakPolarHBondContact O-CA 3.46Å; C66-T81 PolarHBondContact SG-N 3.04Å; C66-T81 VanDerWaalsContact SG-N 3.4Å; N78-T81 PolarHBondContact N-O 3.36Å; N78-T81 PolarHBondContact O-N 3.4Å; W79-T81 PolarHBondContact O-N 3.12Å; W79-T81 VanDerWaalsContact O-N 3.12Å; W79-T81 PolarHBondContact O-OG1 2.02Å
82	C	98.2	Very high	96.5	Very high	1 Å²	1	77.9 Å²	77.9	1%	0.007	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	136.4	171.8	-66.9	0	0	0	0	109.8	L60 T61 S62 G63 N64 C66 C72 Y76	L60-C82 WeakPolarHBondContact CB-SG 3.38Å; T61-C82 WeakPolarHBondContact O-CB 3.21Å; S62-C82 WeakPolarHBondContact CA-O 3.07Å; G63-C82 PolarHBondContact N-O 3.13Å; N64-C82 PolarHBondContact O-N 3.44Å; C66-C82 PolarHBondContact SG-N 3.18Å; C66-C82 VanDerWaalsContact SG-N 3.39Å; C72-C82 WeakPolarHBondContact CA-SG 3.39Å; C72-C82 HydrophobicContact CB-CB 3.73Å; C72-C82 WeakPolarHBondContact CB-SG 3.41Å; C72-C82 WeakPolarHBondContact SG-CA 3.27Å; C72-C82 WeakPolarHBondContact SG-CB 3.43Å; C72-C82 CovalentContact SG-SG 2.04Å; C72-C82 PolarHBondContact SG-SG 3.03Å; Y76-C82 WeakPolarHBondContact O-CA 3.45Å
83	R	97.5	Very high	96.4	Very high	108 Å²	108	83.3 Å²	83.3	41%	0.408	42%	0.42	S	S	.	.			trans	-132.4	149.9	177.1	-61.5	-171.5	-172.6	-179.2	2	110.2	S74 Y76 N78	S74-R83 VanDerWaalsContact CB-O 3.24Å; S74-R83 WeakPolarHBondContact CB-O 3.06Å; S74-R83 PolarHBondContact OG-O 3.39Å; Y76-R83 HydrophobicContact CD1-CB 3.78Å; Y76-R83 HydrophobicContact CE1-CB 4.09Å; Y76-R83 PolarHBondContact O-N 2.78Å; N78-R83 HydrophobicContact CB-CG 4.41Å; N78-R83 PolarHBondContact OD1-NH1 3.36Å; N78-R83 VanDerWaalsContact OD1-NH1 3.12Å; N78-R83 PolarHBondContact OD1-NH2 2.82Å; N78-R83 VanDerWaalsContact OD1-NH2 3.13Å
84	D	95	Very high	96.3	Very high	115 Å²	115	84.5 Å²	84.5	62%	0.615	42%	0.417	S	S	*	.			trans	-73.9	146.9	169.7	-52.5	-63.5	0	0	0	109.6	S62	S62-D84 WeakPolarHBondContact CB-OD2 3.44Å; S62-D84 PolarHBondContact OG-OD2 3.12Å
85	I	88.1	Confident	96.2	Very high	186 Å²	186	88.3 Å²	88.3	95%	0.954	43%	0.427	S	S	*	.			trans	-105	0	172.3	-63.2	167.9	0	0	0	108.2	Y76	Y76-I85 HydrophobicContact CD1-CD1 4.4Å; Y76-I85 HydrophobicContact CD1-CG1 3.88Å; Y76-I85 HydrophobicContact CD2-CD1 4.36Å; Y76-I85 HydrophobicContact CG-CD1 3.89Å; Y76-I85 HydrophobicContact CG-CG1 3.88Å

Retrieved 85 of 85 residues in 230.7 ms (Link to these results)

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