A0A087X0V9_HUMAN Loading...

Hematopoietic SH2 domain containing

AlphaFold DB , UniProt , Accession A0A087X0V9, Species HUMAN (Homo sapiens, Human), Gene HSH2D, Length 85 aa.

						>A0A087X0V9_HUMAN|A0A087X0V9|HSH2D
MTEAGKLPLPLPPRLDWFVHTQMGQLAQDGVPEWFHGAISREDAENLLESQPLGSFLIRVSHSHVGYTLSYNVSAEPKAAAAISW
					

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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	37.9	Very low	58.4	Low	238 Å²	238	128.7 Å²	128.7	100%	1.172	74%	0.743	S	S	*	*				0	95.7	0	-64	172	175.8	0	0	105.4	E3	M1-E3 PolarHBondContact O-N 2.94Å
2	T	40.6	Very low	60.9	Low	145 Å²	145	122.4 Å²	122.4	89%	0.89	71%	0.71	S	S	*	*			trans	-82.3	106.5	-170.4	-52.9	0	0	0	0	108.4	A4	T2-A4 PolarHBondContact O-N 3.43Å
3	E	43.1	Very low	63.1	Low	182 Å²	182	120.7 Å²	120.7	85%	0.85	71%	0.705	S	S	*	*			trans	-52.7	109	168.3	-74.9	-97.2	94.6	0	0	108.1	M1 G5	M1-E3 PolarHBondContact O-N 2.94Å; E3-G5 PolarHBondContact O-N 2.96Å
4	A	49.6	Very low	64.9	Low	95 Å²	95	117.5 Å²	117.5	79%	0.785	68%	0.675	S	S	*	*			trans	-57.8	113.3	170.9	0	0	0	0	0	107.2	T2 K6	T2-A4 PolarHBondContact O-N 3.43Å; A4-K6 PolarHBondContact O-N 3.24Å
5	G	52	Low	66.6	Low	78 Å²	78	112.4 Å²	112.4	80%	0.804	65%	0.645	S	S	*	*			trans	-50	100.9	-175	0	0	0	0	0	111.5	E3 L7	E3-G5 PolarHBondContact O-N 2.96Å; G5-L7 PolarHBondContact O-N 3.02Å
6	K	58.6	Low	68.1	Low	180 Å²	180	109.6 Å²	109.6	78%	0.783	63%	0.627	S	S	*	*			trans	-68.2	114.1	169.1	-143	172.2	-170	-75.3	0	105.4	A4	A4-K6 PolarHBondContact O-N 3.24Å
7	L	58.9	Low	69.5	Low	110 Å²	110	106.9 Å²	106.9	58%	0.576	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-48	135.6	175.5	-74.7	164.9	0	0	0	109.1	G5 L9 L11	G5-L7 PolarHBondContact O-N 3.02Å; L7-L9 PolarHBondContact O-N 3.16Å; L7-L9 VanDerWaalsContact O-N 3.14Å; L7-L11 HydrophobicContact CB-CD2 3.69Å; L7-L11 HydrophobicContact CD1-CD2 3.87Å; L7-L11 HydrophobicContact CG-CD2 4.33Å
8	P	64.9	Low	70.7	Confident	104 Å²	104	101.7 Å²	101.7	68%	0.675	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-57.7	123.8	178.4	23.1	-31.5	0	0	0	108.8	P10	P8-P10 CarbonylContact O-C 3.42Å
9	L	72.6	Confident	71.7	Confident	130 Å²	130	99.5 Å²	99.5	68%	0.681	56%	0.563	S	S	*	*	S	Bend	trans	-88.5	135.9	171.7	-64.3	175.3	0	0	0	108.2	L7 L11	L7-L9 PolarHBondContact O-N 3.16Å; L7-L9 VanDerWaalsContact O-N 3.14Å; L9-L11 HydrophobicContact CD2-CG 4.4Å
10	P	80.4	Confident	72.7	Confident	121 Å²	121	101.6 Å²	101.6	79%	0.786	57%	0.567	S	S	*	*	S	Bend	cis	-79.7	146.8	1.7	31.2	-33.3	0	0	0	113.2	P8	P8-P10 CarbonylContact O-C 3.42Å
11	L	83.4	Confident	73.5	Confident	33 Å²	33	99.8 Å²	99.8	17%	0.173	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-61.3	148.6	174.1	-65	177.8	0	0	0	110.4	L7 L9 L15 D16 V19	L7-L11 HydrophobicContact CB-CD2 3.69Å; L7-L11 HydrophobicContact CD1-CD2 3.87Å; L7-L11 HydrophobicContact CG-CD2 4.33Å; L9-L11 HydrophobicContact CD2-CG 4.4Å; L11-L15 HydrophobicContact CB-CB 4.19Å; L11-L15 HydrophobicContact CD1-CB 4.46Å; L11-D16 HydrophobicContact CB-CB 4.3Å; L11-V19 HydrophobicContact CD1-CG2 4.24Å
12	P	89	Confident	75.9	Confident	53 Å²	53	90.4 Å²	90.4	34%	0.344	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-50.5	140.8	166.2	-25.4	32.7	0	0	0	110.5	R14 L15 D16	P12-R14 HydrophobicContact CB-CG 4.23Å; P12-R14 PolarHBondContact O-N 3.08Å; P12-L15 HydrophobicContact CG-CD1 4.23Å; P12-L15 PolarHBondContact O-N 3.28Å; P12-D16 PolarHBondContact O-N 2.68Å
13	P	89.8	Confident	78.1	Confident	100 Å²	100	87.9 Å²	87.9	65%	0.649	49%	0.492	S	S	*	.	H	α-helix	trans	-50.6	-30.4	-174	-31.1	34.7	0	0	0	115.2	W17	P13-W17 VanDerWaalsContact O-CB 3.29Å; P13-W17 WeakPolarHBondContact O-CB 3.35Å; P13-W17 PolarHBondContact O-N 2.89Å
14	R	88.2	Confident	80.2	Confident	76 Å²	76	81.6 Å²	81.6	29%	0.287	48%	0.475	S	S	.	.	H	α-helix	trans	-71.6	-39	178.2	18.5	177.8	177.6	117.5	-4.3	113.3	P12 F18 S61 H62 V65	P12-R14 HydrophobicContact CB-CG 4.23Å; P12-R14 PolarHBondContact O-N 3.08Å; R14-F18 WeakPolarHBondContact O-CB 3.36Å; R14-F18 PolarHBondContact O-N 3.14Å; R14-S61 VanDerWaalsContact CD-O 3.29Å; R14-S61 WeakPolarHBondContact CD-O 3.45Å; R14-H62 VanDerWaalsContact CZ-C 3.41Å; R14-H62 PolarHBondContact NE-O 3.05Å; R14-H62 VanDerWaalsContact NH1-CA 3.31Å; R14-H62 PolarHBondContact NH1-O 2.88Å; R14-H62 PolarHBondContact NH2-O 3.49Å; R14-V65 HydrophobicContact CB-CG2 4.37Å
15	L	89.6	Confident	82	Confident	41 Å²	41	82.5 Å²	82.5	22%	0.215	46%	0.463	C	S	.	.	H	α-helix	trans	-75.4	-38.6	172.9	-73	175.7	0	0	0	110.7	L11 P12 F18 V19 A38 V60	L11-L15 HydrophobicContact CB-CB 4.19Å; L11-L15 HydrophobicContact CD1-CB 4.46Å; P12-L15 HydrophobicContact CG-CD1 4.23Å; P12-L15 PolarHBondContact O-N 3.28Å; L15-F18 PolarHBondContact O-N 3.32Å; L15-V19 WeakPolarHBondContact O-CG2 3.5Å; L15-V19 PolarHBondContact O-N 3.48Å; L15-A38 HydrophobicContact CD2-CB 3.62Å; L15-V60 HydrophobicContact CD2-CG1 4.47Å
16	D	91.5	Very high	83.7	Confident	67 Å²	67	80.1 Å²	80.1	36%	0.358	43%	0.432	S	S	.	.	H	α-helix	trans	-58.4	-50.8	174.9	-173.1	-89.5	0	0	0	111.9	L11 P12 F18 V19 H20	L11-D16 HydrophobicContact CB-CB 4.3Å; P12-D16 PolarHBondContact O-N 2.68Å; D16-F18 VanDerWaalsContact C-N 3.31Å; D16-F18 PolarHBondContact O-N 3.44Å; D16-V19 PolarHBondContact O-N 2.86Å; D16-H20 PolarHBondContact O-N 2.9Å; D16-H20 PolarHBondContact O-ND1 2.8Å; D16-H20 IonicContact OD1-CE1 3.16Å; D16-H20 IonicContact OD1-ND1 3.33Å; D16-H20 PolarHBondContact OD1-ND1 3.26Å; D16-H20 IonicContact OD2-CE1 3.74Å; D16-H20 PolarHBondContact OD2-CE1 3.08Å; D16-H20 IonicContact OD2-ND1 3.22Å; D16-H20 PolarHBondContact OD2-ND1 3.45Å
17	W	91.1	Very high	85	Confident	64 Å²	64	75.1 Å²	75.1	24%	0.242	42%	0.424	C	S	.	.	H	α-helix	trans	-55.8	-44.3	174.7	164.7	81.9	0	0	0	112.6	P13 H20 T21 Q22 V65 Y67	P13-W17 VanDerWaalsContact O-CB 3.29Å; P13-W17 WeakPolarHBondContact O-CB 3.35Å; P13-W17 PolarHBondContact O-N 2.89Å; W17-H20 PolarHBondContact O-N 3.46Å; W17-T21 VanDerWaalsContact O-CB 3.23Å; W17-T21 WeakPolarHBondContact O-CB 3.21Å; W17-T21 PolarHBondContact O-N 2.88Å; W17-T21 PolarHBondContact O-OG1 2.99Å; W17-Q22 HydrophobicContact CH2-CG 3.8Å; W17-Q22 HydrophobicContact CZ2-CG 3.92Å; W17-Q22 HydrophobicContact CZ3-CG 4.19Å; W17-V65 HydrophobicContact CB-CG1 3.82Å; W17-V65 HydrophobicContact CD2-CG1 3.39Å; W17-V65 HydrophobicContact CE3-CG1 3.81Å; W17-V65 HydrophobicContact CG-CG1 3.37Å; W17-Y67 HydrophobicContact CH2-CD2 4.25Å; W17-Y67 AromaticContact CH2-CE2 3.66Å; W17-Y67 HydrophobicContact CH2-CE2 3.66Å; W17-Y67 AromaticContact CH2-CZ 3.87Å; W17-Y67 HydrophobicContact CZ3-CE2 4.36Å
18	F	91.5	Very high	86.5	Confident	13 Å²	13	77.8 Å²	77.8	6%	0.057	43%	0.434	C	S	.	.	H	α-helix	trans	-62.9	-46.4	-179.8	175.1	-102.9	0	0	0	111	R14 L15 D16 H20 Q22 M23 L26 F35 V60 Y67	R14-F18 WeakPolarHBondContact O-CB 3.36Å; R14-F18 PolarHBondContact O-N 3.14Å; L15-F18 PolarHBondContact O-N 3.32Å; D16-F18 VanDerWaalsContact C-N 3.31Å; D16-F18 PolarHBondContact O-N 3.44Å; F18-H20 PolarHBondContact O-N 3.2Å; F18-Q22 HydrophobicContact CD2-CB 3.61Å; F18-Q22 HydrophobicContact CD2-CG 4.06Å; F18-Q22 HydrophobicContact CE2-CB 3.75Å; F18-Q22 HydrophobicContact CG-CB 4.44Å; F18-Q22 WeakPolarHBondContact O-CA 3.22Å; F18-Q22 WeakPolarHBondContact O-CB 3.46Å; F18-Q22 PolarHBondContact O-N 3.48Å; F18-M23 HydrophobicContact CD1-CE 4.2Å; F18-M23 HydrophobicContact CD1-CG 4.1Å; F18-M23 HydrophobicContact CE1-CE 3.66Å; F18-M23 HydrophobicContact CE1-CG 3.79Å; F18-M23 HydrophobicContact CE1-SD 3.78Å; F18-M23 HydrophobicContact CZ-CG 4.4Å; F18-M23 HydrophobicContact CZ-SD 4.36Å; F18-M23 PolarHBondContact O-N 3.49Å; F18-L26 HydrophobicContact CE2-CD1 3.7Å; F18-L26 HydrophobicContact CZ-CD1 3.77Å; F18-F35 HydrophobicContact CD2-CZ 4.45Å; F18-F35 AromaticContact CE2-CE1 3.93Å; F18-F35 HydrophobicContact CE2-CE1 3.93Å; F18-F35 HydrophobicContact CE2-CE2 4.46Å; F18-F35 AromaticContact CE2-CZ 3.45Å; F18-F35 HydrophobicContact CE2-CZ 3.45Å; F18-F35 VanDerWaalsContact CE2-CZ 3.45Å; F18-F35 AromaticContact CZ-CE1 3.66Å; F18-F35 HydrophobicContact CZ-CE1 3.66Å; F18-F35 AromaticContact CZ-CZ 3.62Å; F18-F35 HydrophobicContact CZ-CZ 3.62Å; F18-V60 HydrophobicContact CD1-CG2 4.37Å; F18-V60 HydrophobicContact CD2-CG2 3.82Å; F18-V60 HydrophobicContact CE2-CG2 4.12Å; F18-V60 HydrophobicContact CG-CG2 3.97Å; F18-Y67 HydrophobicContact CD2-CE1 4.16Å; F18-Y67 HydrophobicContact CE2-CE1 4.19Å
19	V	90.6	Very high	87.8	Confident	61 Å²	61	79.6 Å²	79.6	37%	0.37	44%	0.438	S	S	.	.	H	α-helix	trans	-63.5	-43	179.2	172.6	0	0	0	0	111.6	L11 L15 D16 M23	L11-V19 HydrophobicContact CD1-CG2 4.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.5Å; L15-V19 PolarHBondContact O-N 3.48Å; D16-V19 PolarHBondContact O-N 2.86Å; V19-M23 HydrophobicContact CB-CG 4.37Å; V19-M23 HydrophobicContact CG2-CE 4.18Å; V19-M23 HydrophobicContact CG2-CG 4.26Å; V19-M23 WeakPolarHBondContact O-CB 3.46Å
20	H	90.6	Very high	88.7	Confident	140 Å²	140	75.2 Å²	75.2	65%	0.648	42%	0.424	S	S	*	.	H	α-helix	trans	-79.4	-26.9	-176.5	-71.6	102	0	0	0	114.3	D16 W17 F18	D16-H20 PolarHBondContact O-N 2.9Å; D16-H20 PolarHBondContact O-ND1 2.8Å; D16-H20 IonicContact OD1-CE1 3.16Å; D16-H20 IonicContact OD1-ND1 3.33Å; D16-H20 PolarHBondContact OD1-ND1 3.26Å; D16-H20 IonicContact OD2-CE1 3.74Å; D16-H20 PolarHBondContact OD2-CE1 3.08Å; D16-H20 IonicContact OD2-ND1 3.22Å; D16-H20 PolarHBondContact OD2-ND1 3.45Å; W17-H20 PolarHBondContact O-N 3.46Å; F18-H20 PolarHBondContact O-N 3.2Å
21	T	88.8	Confident	89.2	Confident	64 Å²	64	74 Å²	74	39%	0.393	41%	0.414	S	S	.	.	H	α-helix	trans	-110.7	-33.2	-170.9	-40	0	0	0	0	113.5	W17 Q25	W17-T21 VanDerWaalsContact O-CB 3.23Å; W17-T21 WeakPolarHBondContact O-CB 3.21Å; W17-T21 PolarHBondContact O-N 2.88Å; W17-T21 PolarHBondContact O-OG1 2.99Å; T21-Q25 PolarHBondContact O-NE2 3.16Å
22	Q	88.8	Confident	89.6	Confident	42 Å²	42	74.4 Å²	74.4	20%	0.196	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-38.5	-164.6	-53.5	-63.2	-33.7	0	0	112.6	W17 F18 G24 Q25 L26 Y67	W17-Q22 HydrophobicContact CH2-CG 3.8Å; W17-Q22 HydrophobicContact CZ2-CG 3.92Å; W17-Q22 HydrophobicContact CZ3-CG 4.19Å; F18-Q22 HydrophobicContact CD2-CB 3.61Å; F18-Q22 HydrophobicContact CD2-CG 4.06Å; F18-Q22 HydrophobicContact CE2-CB 3.75Å; F18-Q22 HydrophobicContact CG-CB 4.44Å; F18-Q22 WeakPolarHBondContact O-CA 3.22Å; F18-Q22 WeakPolarHBondContact O-CB 3.46Å; F18-Q22 PolarHBondContact O-N 3.48Å; Q22-G24 PolarHBondContact O-N 2.92Å; Q22-Q25 PolarHBondContact O-N 3.27Å; Q22-Q25 VanDerWaalsContact O-N 3.14Å; Q22-L26 HydrophobicContact CB-CD1 4.42Å; Q22-L26 PolarHBondContact O-N 3.38Å; Q22-L26 VanDerWaalsContact O-N 3.08Å; Q22-Y67 WeakPolarHBondContact CB-OH 3.5Å; Q22-Y67 WeakPolarHBondContact CG-OH 3.26Å; Q22-Y67 PolarHBondContact OE1-OH 2.91Å
23	M	87	Confident	89.8	Confident	92 Å²	92	80.9 Å²	80.9	45%	0.453	45%	0.445	S	S	.	.	H	α-helix	trans	-52.9	-40.9	179.7	-82.6	-79.1	-159.6	0	0	112.6	F18 V19 Q25 L26 A27	F18-M23 HydrophobicContact CD1-CE 4.2Å; F18-M23 HydrophobicContact CD1-CG 4.1Å; F18-M23 HydrophobicContact CE1-CE 3.66Å; F18-M23 HydrophobicContact CE1-CG 3.79Å; F18-M23 HydrophobicContact CE1-SD 3.78Å; F18-M23 HydrophobicContact CZ-CG 4.4Å; F18-M23 HydrophobicContact CZ-SD 4.36Å; F18-M23 PolarHBondContact O-N 3.49Å; V19-M23 HydrophobicContact CB-CG 4.37Å; V19-M23 HydrophobicContact CG2-CE 4.18Å; V19-M23 HydrophobicContact CG2-CG 4.26Å; V19-M23 WeakPolarHBondContact O-CB 3.46Å; M23-Q25 PolarHBondContact O-N 3.14Å; M23-L26 PolarHBondContact O-N 2.83Å; M23-A27 VanDerWaalsContact O-CB 3.23Å; M23-A27 WeakPolarHBondContact O-CB 3.34Å; M23-A27 PolarHBondContact O-N 2.8Å
24	G	87.9	Confident	90	Very high	49 Å²	49	81.8 Å²	81.8	51%	0.505	44%	0.435	S	S	.	.	H	α-helix	trans	-59.2	-46.1	-179.7	0	0	0	0	0	112.4	Q22 A27 Q28	Q22-G24 PolarHBondContact O-N 2.92Å; G24-A27 PolarHBondContact O-N 2.97Å; G24-Q28 WeakPolarHBondContact O-CG 3.5Å; G24-Q28 PolarHBondContact O-N 2.97Å
25	Q	86	Confident	90.3	Very high	115 Å²	115	79.1 Å²	79.1	54%	0.537	43%	0.426	S	S	.	.	H	α-helix	trans	-68.1	-47.9	179.1	-66.9	178.9	77.3	0	0	111.2	T21 Q22 M23 A27 Q28 D29	T21-Q25 PolarHBondContact O-NE2 3.16Å; Q22-Q25 PolarHBondContact O-N 3.27Å; Q22-Q25 VanDerWaalsContact O-N 3.14Å; M23-Q25 PolarHBondContact O-N 3.14Å; Q25-A27 VanDerWaalsContact C-N 3.25Å; Q25-A27 PolarHBondContact O-N 3.43Å; Q25-Q28 PolarHBondContact O-N 3.31Å; Q25-D29 PolarHBondContact O-N 3.35Å
26	L	88.6	Confident	90.5	Very high	28 Å²	28	80.6 Å²	80.6	15%	0.147	43%	0.431	C	S	.	.	H	α-helix	trans	-58.6	-33.9	176.3	-85.3	151.5	0	0	0	113.4	F18 Q22 M23 Q28 G30 V31 P32 F35	F18-L26 HydrophobicContact CE2-CD1 3.7Å; F18-L26 HydrophobicContact CZ-CD1 3.77Å; Q22-L26 HydrophobicContact CB-CD1 4.42Å; Q22-L26 PolarHBondContact O-N 3.38Å; Q22-L26 VanDerWaalsContact O-N 3.08Å; M23-L26 PolarHBondContact O-N 2.83Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-G30 CarbonylContact O-C 3.54Å; L26-G30 VanDerWaalsContact O-CA 3.22Å; L26-G30 WeakPolarHBondContact O-CA 3.23Å; L26-G30 PolarHBondContact O-N 2.88Å; L26-V31 HydrophobicContact CD2-CB 4.35Å; L26-V31 HydrophobicContact CD2-CG1 4.24Å; L26-V31 HydrophobicContact CD2-CG2 4.23Å; L26-P32 VanDerWaalsContact CD2-CD 3.45Å; L26-F35 HydrophobicContact CD1-CD1 4.35Å; L26-F35 HydrophobicContact CD1-CE1 3.97Å; L26-F35 HydrophobicContact CD1-CZ 4.43Å; L26-F35 HydrophobicContact CD2-CD1 4.1Å
27	A	86.9	Confident	90.5	Very high	75 Å²	75	78.1 Å²	78.1	62%	0.62	42%	0.421	S	S	*	.	H	α-helix	trans	-73.9	-25.2	177.2	0	0	0	0	0	113.1	M23 G24 Q25	M23-A27 VanDerWaalsContact O-CB 3.23Å; M23-A27 WeakPolarHBondContact O-CB 3.34Å; M23-A27 PolarHBondContact O-N 2.8Å; G24-A27 PolarHBondContact O-N 2.97Å; Q25-A27 VanDerWaalsContact C-N 3.25Å; Q25-A27 PolarHBondContact O-N 3.43Å
28	Q	90.1	Very high	90.6	Very high	166 Å²	166	77.8 Å²	77.8	78%	0.776	43%	0.432	S	S	*	.	H	α-helix	trans	-86.1	-49.2	177.8	-66.2	-57.4	-66.2	0	0	111.8	G24 Q25 L26 G30	G24-Q28 WeakPolarHBondContact O-CG 3.5Å; G24-Q28 PolarHBondContact O-N 2.97Å; Q25-Q28 PolarHBondContact O-N 3.31Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; Q28-G30 VanDerWaalsContact C-N 3.33Å
29	D	91.1	Very high	90.7	Very high	141 Å²	141	78.7 Å²	78.7	75%	0.754	44%	0.438	S	S	*	.	H	α-helix	trans	-85	-10	-175.6	-64.2	-63.8	0	0	0	113.1	Q25	Q25-D29 PolarHBondContact O-N 3.35Å
30	G	91.1	Very high	90.8	Very high	38 Å²	38	77.1 Å²	77.1	39%	0.392	43%	0.429	S	S	.	.			trans	88	155.6	-172.4	0	0	0	0	0	112.2	L26 Q28 P32	L26-G30 CarbonylContact O-C 3.54Å; L26-G30 VanDerWaalsContact O-CA 3.22Å; L26-G30 WeakPolarHBondContact O-CA 3.23Å; L26-G30 PolarHBondContact O-N 2.88Å; Q28-G30 VanDerWaalsContact C-N 3.33Å; G30-P32 WeakPolarHBondContact O-CD 3.44Å
31	V	91.3	Very high	90.9	Very high	96 Å²	96	78.1 Å²	78.1	58%	0.582	43%	0.427	S	S	*	.			trans	-83.2	118.7	178.5	-177.7	0	0	0	0	109.1	L26 F35	L26-V31 HydrophobicContact CD2-CB 4.35Å; L26-V31 HydrophobicContact CD2-CG1 4.24Å; L26-V31 HydrophobicContact CD2-CG2 4.23Å; V31-F35 HydrophobicContact CG1-CB 4.39Å; V31-F35 HydrophobicContact CG1-CD1 3.91Å
32	P	93	Very high	91.1	Very high	41 Å²	41	81.7 Å²	81.7	27%	0.266	44%	0.439	S	S	.	.			trans	-63.1	145.3	176.9	-20.8	32.3	0	0	0	111.6	L26 G30 W34 F35	L26-P32 VanDerWaalsContact CD2-CD 3.45Å; G30-P32 WeakPolarHBondContact O-CD 3.44Å; P32-W34 HydrophobicContact CB-CD2 3.75Å; P32-W34 HydrophobicContact CB-CE3 4.33Å; P32-W34 HydrophobicContact CB-CG 4.19Å; P32-W34 HydrophobicContact CB-CH2 4.11Å; P32-W34 HydrophobicContact CB-CZ2 3.51Å; P32-W34 HydrophobicContact CB-CZ3 4.47Å; P32-W34 HydrophobicContact CG-CH2 3.88Å; P32-W34 HydrophobicContact CG-CZ2 3.55Å; P32-W34 PolarHBondContact O-N 2.93Å; P32-W34 VanDerWaalsContact O-N 3.16Å; P32-F35 HydrophobicContact CB-CB 4.46Å; P32-F35 PolarHBondContact O-N 2.99Å
33	E	92.4	Very high	91.4	Very high	190 Å²	190	83.4 Å²	83.4	89%	0.888	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.6	-178.7	-65.2	-174.3	92.7	0	0	113.4	F35 H36	E33-F35 VanDerWaalsContact C-N 3.28Å; E33-F35 PolarHBondContact O-N 2.8Å; E33-H36 PolarHBondContact O-NE2 2.92Å
34	W	93.6	Very high	91.8	Very high	119 Å²	119	79 Å²	79	45%	0.451	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.4	176.1	51.1	-103.1	0	0	0	113.3	P32 H36 F56 L57 I58	P32-W34 HydrophobicContact CB-CD2 3.75Å; P32-W34 HydrophobicContact CB-CE3 4.33Å; P32-W34 HydrophobicContact CB-CG 4.19Å; P32-W34 HydrophobicContact CB-CH2 4.11Å; P32-W34 HydrophobicContact CB-CZ2 3.51Å; P32-W34 HydrophobicContact CB-CZ3 4.47Å; P32-W34 HydrophobicContact CG-CH2 3.88Å; P32-W34 HydrophobicContact CG-CZ2 3.55Å; P32-W34 PolarHBondContact O-N 2.93Å; P32-W34 VanDerWaalsContact O-N 3.16Å; W34-H36 PolarHBondContact O-CD2 3.45Å; W34-F56 HydrophobicContact CB-CE2 4.05Å; W34-F56 HydrophobicContact CG-CE2 4.28Å; W34-L57 CarbonylContact O-C 3.55Å; W34-L57 WeakPolarHBondContact O-CA 3.49Å; W34-I58 HydrophobicContact CE3-CB 3.92Å; W34-I58 HydrophobicContact CE3-CD1 3.85Å; W34-I58 HydrophobicContact CE3-CG1 3.91Å; W34-I58 HydrophobicContact CZ3-CB 4.03Å; W34-I58 HydrophobicContact CZ3-CD1 3.66Å; W34-I58 HydrophobicContact CZ3-CG1 4.12Å; W34-I58 PolarHBondContact O-N 2.96Å
35	F	94.8	Very high	92	Very high	20 Å²	20	81.7 Å²	81.7	9%	0.088	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-102.9	117.9	178.5	-176.3	-104.7	0	0	0	111.5	F18 L26 V31 P32 E33 I58 V60 Y67	F18-F35 HydrophobicContact CD2-CZ 4.45Å; F18-F35 AromaticContact CE2-CE1 3.93Å; F18-F35 HydrophobicContact CE2-CE1 3.93Å; F18-F35 HydrophobicContact CE2-CE2 4.46Å; F18-F35 AromaticContact CE2-CZ 3.45Å; F18-F35 HydrophobicContact CE2-CZ 3.45Å; F18-F35 VanDerWaalsContact CE2-CZ 3.45Å; F18-F35 AromaticContact CZ-CE1 3.66Å; F18-F35 HydrophobicContact CZ-CE1 3.66Å; F18-F35 AromaticContact CZ-CZ 3.62Å; F18-F35 HydrophobicContact CZ-CZ 3.62Å; L26-F35 HydrophobicContact CD1-CD1 4.35Å; L26-F35 HydrophobicContact CD1-CE1 3.97Å; L26-F35 HydrophobicContact CD1-CZ 4.43Å; L26-F35 HydrophobicContact CD2-CD1 4.1Å; V31-F35 HydrophobicContact CG1-CB 4.39Å; V31-F35 HydrophobicContact CG1-CD1 3.91Å; P32-F35 HydrophobicContact CB-CB 4.46Å; P32-F35 PolarHBondContact O-N 2.99Å; E33-F35 VanDerWaalsContact C-N 3.28Å; E33-F35 PolarHBondContact O-N 2.8Å; F35-I58 WeakPolarHBondContact CA-O 3.27Å; F35-I58 HydrophobicContact CD2-CB 4.29Å; F35-I58 HydrophobicContact CD2-CG2 4.11Å; F35-I58 WeakPolarHBondContact CD2-O 3.37Å; F35-I58 HydrophobicContact CE2-CG2 4.41Å; F35-V60 HydrophobicContact CE2-CG2 4.46Å; F35-V60 HydrophobicContact CZ-CG2 4.01Å; F35-Y67 HydrophobicContact CD2-CE1 4.49Å; F35-Y67 AromaticContact CE2-CD1 3.85Å; F35-Y67 HydrophobicContact CE2-CD1 3.85Å; F35-Y67 AromaticContact CE2-CE1 3.49Å; F35-Y67 HydrophobicContact CE2-CE1 3.49Å; F35-Y67 VanDerWaalsContact CE2-CE1 3.49Å; F35-Y67 AromaticContact CZ-CE1 3.96Å; F35-Y67 HydrophobicContact CZ-CE1 3.96Å
36	H	93.6	Very high	92.4	Very high	71 Å²	71	80.9 Å²	80.9	33%	0.329	43%	0.427	S	S	.	.			trans	-110.1	10.4	-173.7	-66.3	-106.4	0	0	0	113.7	E33 W34 I39 L57 I58	E33-H36 PolarHBondContact O-NE2 2.92Å; W34-H36 PolarHBondContact O-CD2 3.45Å; H36-I39 HydrophobicContact CB-CD1 3.63Å; H36-I39 HydrophobicContact CB-CG1 4.03Å; H36-I39 HydrophobicContact CB-CG2 4.4Å; H36-I39 WeakPolarHBondContact O-CG2 3.5Å; H36-L57 VanDerWaalsContact CD2-CB 3.5Å; H36-L57 WeakPolarHBondContact CD2-CB 3.38Å; H36-I58 PolarHBondContact N-O 3.27Å
37	G	92.5	Very high	92.6	Very high	15 Å²	15	83.1 Å²	83.1	16%	0.155	44%	0.439	C	S	.	.			trans	67.8	-143.7	178.6	0	0	0	0	0	113.1	I39 R59 V60	G37-I39 PolarHBondContact O-N 3.21Å; G37-R59 CarbonylContact O-C 3.51Å; G37-R59 VanDerWaalsContact O-CA 3.27Å; G37-R59 WeakPolarHBondContact O-CA 3.48Å; G37-R59 WeakPolarHBondContact O-CB 3.47Å; G37-V60 PolarHBondContact O-N 3.27Å
38	A	92	Very high	92.9	Very high	57 Å²	57	80.1 Å²	80.1	47%	0.471	41%	0.412	S	S	.	.	S	Bend	trans	-92	62.8	-174.4	0	0	0	0	0	112.5	L15 V60	L15-A38 HydrophobicContact CD2-CB 3.62Å; A38-V60 HydrophobicContact CB-CB 4.2Å
39	I	93.7	Very high	93	Very high	33 Å²	33	77 Å²	77	17%	0.169	40%	0.398	C	S	.	.			trans	-90.1	152.7	174	60.7	164	0	0	0	112.2	H36 G37 D43 A44 L47 L57 R59 H62	H36-I39 HydrophobicContact CB-CD1 3.63Å; H36-I39 HydrophobicContact CB-CG1 4.03Å; H36-I39 HydrophobicContact CB-CG2 4.4Å; H36-I39 WeakPolarHBondContact O-CG2 3.5Å; G37-I39 PolarHBondContact O-N 3.21Å; I39-D43 HydrophobicContact CB-CB 4.15Å; I39-D43 HydrophobicContact CD1-CB 4.49Å; I39-A44 HydrophobicContact CD1-CB 3.83Å; I39-L47 HydrophobicContact CD1-CD1 3.94Å; I39-L57 HydrophobicContact CD1-CD1 4Å; I39-R59 HydrophobicContact CD1-CB 4.48Å; I39-R59 HydrophobicContact CG1-CB 3.75Å; I39-R59 HydrophobicContact CG1-CG 4.47Å; I39-H62 PolarHBondContact O-NE2 3.21Å; I39-H62 VanDerWaalsContact O-NE2 3.16Å
40	S	92.9	Very high	92.8	Very high	27 Å²	27	74.8 Å²	74.8	19%	0.189	39%	0.393	C	S	.	.			trans	-67.1	169.3	176.4	76.5	0	0	0	0	111.8	E42 D43 A44	S40-E42 VanDerWaalsContact C-N 3.34Å; S40-E42 PolarHBondContact OG-N 2.82Å; S40-D43 WeakPolarHBondContact CB-OD2 3.26Å; S40-D43 PolarHBondContact N-OD2 3.5Å; S40-D43 PolarHBondContact OG-N 3.04Å; S40-D43 PolarHBondContact OG-OD2 3.22Å; S40-A44 PolarHBondContact O-N 3.26Å
41	R	92.3	Very high	92.8	Very high	162 Å²	162	77.5 Å²	77.5	61%	0.611	40%	0.395	S	S	*	.	H	α-helix	trans	-63.8	-44.4	172.2	-179.8	-175.3	-64.6	177	-0.4	110.6	D43 A44 E45	R41-D43 PolarHBondContact O-N 2.94Å; R41-A44 WeakPolarHBondContact O-CB 3.4Å; R41-A44 PolarHBondContact O-N 3.19Å; R41-E45 VanDerWaalsContact CD-OE1 3.31Å; R41-E45 WeakPolarHBondContact CD-OE1 3.23Å; R41-E45 HydrophobicContact CG-CG 4.38Å; R41-E45 VanDerWaalsContact CG-OE1 3.23Å; R41-E45 WeakPolarHBondContact CG-OE1 3.27Å; R41-E45 WeakPolarHBondContact O-CG 3.43Å; R41-E45 PolarHBondContact O-N 2.85Å
42	E	94.2	Very high	92.7	Very high	139 Å²	139	77.2 Å²	77.2	65%	0.65	40%	0.396	S	S	*	.	H	α-helix	trans	-62.6	-42.8	-178.2	-66.1	167.4	87.1	0	0	111.2	S40 A44 E45 N46	S40-E42 VanDerWaalsContact C-N 3.34Å; S40-E42 PolarHBondContact OG-N 2.82Å; E42-A44 VanDerWaalsContact C-N 3.32Å; E42-A44 PolarHBondContact O-N 3.41Å; E42-E45 PolarHBondContact O-N 2.94Å; E42-N46 WeakPolarHBondContact O-CB 3.2Å; E42-N46 PolarHBondContact O-N 2.98Å; E42-N46 PolarHBondContact O-ND2 2.89Å
43	D	94.8	Very high	92.7	Very high	78 Å²	78	80.4 Å²	80.4	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-62	-40.7	175.4	-62.9	-44.7	0	0	0	111.7	I39 S40 R41 N46 L47	I39-D43 HydrophobicContact CB-CB 4.15Å; I39-D43 HydrophobicContact CD1-CB 4.49Å; S40-D43 WeakPolarHBondContact CB-OD2 3.26Å; S40-D43 PolarHBondContact N-OD2 3.5Å; S40-D43 PolarHBondContact OG-N 3.04Å; S40-D43 PolarHBondContact OG-OD2 3.22Å; R41-D43 PolarHBondContact O-N 2.94Å; D43-N46 PolarHBondContact O-N 3.45Å; D43-L47 WeakPolarHBondContact O-CB 3.39Å; D43-L47 VanDerWaalsContact O-CG 3.27Å; D43-L47 WeakPolarHBondContact O-CG 3.44Å; D43-L47 PolarHBondContact O-N 2.69Å
44	A	94.9	Very high	92.6	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-64.8	-40.6	176.7	0	0	0	0	0	112.1	I39 S40 R41 E42 L47 L48 L57	I39-A44 HydrophobicContact CD1-CB 3.83Å; S40-A44 PolarHBondContact O-N 3.26Å; R41-A44 WeakPolarHBondContact O-CB 3.4Å; R41-A44 PolarHBondContact O-N 3.19Å; E42-A44 VanDerWaalsContact C-N 3.32Å; E42-A44 PolarHBondContact O-N 3.41Å; A44-L47 PolarHBondContact O-N 3.43Å; A44-L48 WeakPolarHBondContact O-CB 3.5Å; A44-L48 VanDerWaalsContact O-CG 3.26Å; A44-L48 WeakPolarHBondContact O-CG 3.47Å; A44-L48 PolarHBondContact O-N 3.2Å; A44-L48 VanDerWaalsContact O-N 3.08Å; A44-L57 HydrophobicContact CB-CD1 3.88Å; A44-L57 HydrophobicContact CB-CD2 4.37Å
45	E	93	Very high	92.6	Very high	104 Å²	104	69.3 Å²	69.3	49%	0.486	38%	0.379	S	S	.	.	H	α-helix	trans	-64.5	-45.5	176.3	-72.8	166.9	178.9	0	0	111.1	R41 E42 L47 L48 E49	R41-E45 VanDerWaalsContact CD-OE1 3.31Å; R41-E45 WeakPolarHBondContact CD-OE1 3.23Å; R41-E45 HydrophobicContact CG-CG 4.38Å; R41-E45 VanDerWaalsContact CG-OE1 3.23Å; R41-E45 WeakPolarHBondContact CG-OE1 3.27Å; R41-E45 WeakPolarHBondContact O-CG 3.43Å; R41-E45 PolarHBondContact O-N 2.85Å; E42-E45 PolarHBondContact O-N 2.94Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.23Å; E45-L48 PolarHBondContact O-N 3.5Å; E45-E49 WeakPolarHBondContact O-CB 3.37Å; E45-E49 PolarHBondContact O-N 3.08Å
46	N	93.8	Very high	92.6	Very high	98 Å²	98	73.4 Å²	73.4	52%	0.524	40%	0.397	S	S	.	.	H	α-helix	trans	-61.5	-40.8	176.8	-68.5	-25.6	0	0	0	112.2	E42 D43 L48	E42-N46 WeakPolarHBondContact O-CB 3.2Å; E42-N46 PolarHBondContact O-N 2.98Å; E42-N46 PolarHBondContact O-ND2 2.89Å; D43-N46 PolarHBondContact O-N 3.45Å; N46-L48 VanDerWaalsContact C-N 3.35Å
47	L	93.7	Very high	92.7	Very high	75 Å²	75	70.1 Å²	70.1	39%	0.393	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-44.1	175.6	-75	169.5	0	0	0	111.2	I39 D43 A44 E45 S50 Q51 L57	I39-L47 HydrophobicContact CD1-CD1 3.94Å; D43-L47 WeakPolarHBondContact O-CB 3.39Å; D43-L47 VanDerWaalsContact O-CG 3.27Å; D43-L47 WeakPolarHBondContact O-CG 3.44Å; D43-L47 PolarHBondContact O-N 2.69Å; A44-L47 PolarHBondContact O-N 3.43Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.23Å; L47-S50 PolarHBondContact O-OG 3.41Å; L47-Q51 VanDerWaalsContact O-CG 3.27Å; L47-Q51 WeakPolarHBondContact O-CG 3.36Å; L47-L57 HydrophobicContact CB-CD2 4Å; L47-L57 HydrophobicContact CD1-CD2 4.05Å
48	L	93.3	Very high	92.9	Very high	12 Å²	12	71.4 Å²	71.4	6%	0.063	39%	0.385	C	S	.	.	H	α-helix	trans	-76.5	-25.4	-177.1	-72.9	171.8	0	0	0	113.8	A44 E45 N46 S50 Q51 S55 L57 N72	A44-L48 WeakPolarHBondContact O-CB 3.5Å; A44-L48 VanDerWaalsContact O-CG 3.26Å; A44-L48 WeakPolarHBondContact O-CG 3.47Å; A44-L48 PolarHBondContact O-N 3.2Å; A44-L48 VanDerWaalsContact O-N 3.08Å; E45-L48 PolarHBondContact O-N 3.5Å; N46-L48 VanDerWaalsContact C-N 3.35Å; L48-S50 PolarHBondContact O-N 3.45Å; L48-Q51 WeakPolarHBondContact O-CB 3.33Å; L48-Q51 PolarHBondContact O-N 3.16Å; L48-S55 WeakPolarHBondContact CD2-O 3.41Å; L48-L57 HydrophobicContact CD1-CD2 4.33Å; L48-L57 HydrophobicContact CD1-CG 4.27Å; L48-L57 HydrophobicContact CD2-CD2 4.27Å; L48-L57 HydrophobicContact CD2-CG 4.47Å; L48-L57 HydrophobicContact CG-CD2 3.95Å; L48-L57 HydrophobicContact CG-CG 4.34Å; L48-N72 HydrophobicContact CB-CB 4.21Å; L48-N72 PolarHBondContact O-ND2 3.23Å
49	E	90.2	Very high	93.1	Very high	101 Å²	101	69.3 Å²	69.3	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-58.3	-36	-179.9	-178.3	175.4	-147.9	0	0	112.4	E45 Q51 K78	E45-E49 WeakPolarHBondContact O-CB 3.37Å; E45-E49 PolarHBondContact O-N 3.08Å; E49-Q51 VanDerWaalsContact C-N 3.3Å; E49-K78 WeakPolarHBondContact OE1-CD 3.33Å; E49-K78 WeakPolarHBondContact OE1-CE 3.37Å; E49-K78 IonicContact OE1-NZ 2.69Å; E49-K78 PolarHBondContact OE1-NZ 3.19Å
50	S	87.1	Confident	93.1	Very high	94 Å²	94	67.9 Å²	67.9	66%	0.657	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-4.7	177.7	67.1	0	0	0	0	114.1	L47 L48	L47-S50 PolarHBondContact O-OG 3.41Å; L48-S50 PolarHBondContact O-N 3.45Å
51	Q	90.8	Very high	93.1	Very high	95 Å²	95	67.1 Å²	67.1	44%	0.444	35%	0.352	S	S	.	.	S	Bend	trans	-100.2	154.1	-171.6	-61.4	-63.5	-40.6	0	0	111.9	L47 L48 E49 S55 N72	L47-Q51 VanDerWaalsContact O-CG 3.27Å; L47-Q51 WeakPolarHBondContact O-CG 3.36Å; L48-Q51 WeakPolarHBondContact O-CB 3.33Å; L48-Q51 PolarHBondContact O-N 3.16Å; E49-Q51 VanDerWaalsContact C-N 3.3Å; Q51-S55 WeakPolarHBondContact CB-OG 3.38Å; Q51-N72 PolarHBondContact O-ND2 2.97Å
52	P	90.6	Very high	92.9	Very high	90 Å²	90	63.4 Å²	63.4	58%	0.584	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-56.2	156	174.7	-23.7	33.3	0	0	0	113	G54 S55	P52-G54 PolarHBondContact O-N 3.22Å; P52-S55 WeakPolarHBondContact CD-OG 3.45Å; P52-S55 WeakPolarHBondContact O-CB 3.27Å; P52-S55 PolarHBondContact O-N 2.95Å; P52-S55 VanDerWaalsContact O-N 3.08Å; P52-S55 PolarHBondContact O-OG 3.25Å
53	L	92	Very high	92.5	Very high	109 Å²	109	60.8 Å²	60.8	57%	0.571	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	136.7	172.5	179.5	145.7	0	0	0	110.9	S55 A75	L53-S55 VanDerWaalsContact C-N 3.28Å; L53-A75 VanDerWaalsContact CD1-CA 3.45Å; L53-A75 HydrophobicContact CD1-CB 3.49Å; L53-A75 VanDerWaalsContact CD1-CB 3.49Å
54	G	90.3	Very high	92.3	Very high	48 Å²	48	63.7 Å²	63.7	50%	0.495	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-4.7	-178	0	0	0	0	0	114.4	P52 N72	P52-G54 PolarHBondContact O-N 3.22Å; G54-N72 PolarHBondContact N-O 2.94Å
55	S	94.1	Very high	92.2	Very high	28 Å²	28	67.8 Å²	67.8	20%	0.196	37%	0.374	C	S	.	.			trans	-61.9	144.3	170.6	-58.2	0	0	0	0	110.6	L48 Q51 P52 L53 Y71 N72	L48-S55 WeakPolarHBondContact CD2-O 3.41Å; Q51-S55 WeakPolarHBondContact CB-OG 3.38Å; P52-S55 WeakPolarHBondContact CD-OG 3.45Å; P52-S55 WeakPolarHBondContact O-CB 3.27Å; P52-S55 PolarHBondContact O-N 2.95Å; P52-S55 VanDerWaalsContact O-N 3.08Å; P52-S55 PolarHBondContact O-OG 3.25Å; L53-S55 VanDerWaalsContact C-N 3.28Å; S55-Y71 CarbonylContact O-C 3.56Å; S55-Y71 WeakPolarHBondContact O-CA 3.31Å; S55-N72 PolarHBondContact O-N 3.03Å
56	F	95.3	Very high	92.2	Very high	105 Å²	105	63.5 Å²	63.5	46%	0.461	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.1	-176.9	72.8	-88	0	0	0	111.5	W34 L69 S70	W34-F56 HydrophobicContact CB-CE2 4.05Å; W34-F56 HydrophobicContact CG-CE2 4.28Å; F56-L69 HydrophobicContact CB-CD1 3.99Å; F56-L69 HydrophobicContact CD2-CD1 3.73Å; F56-L69 HydrophobicContact CG-CD1 4.21Å; F56-S70 CarbonylContact C-O 3.1Å; F56-S70 VanDerWaalsContact CA-O 3.26Å; F56-S70 WeakPolarHBondContact CA-O 3.42Å; F56-S70 WeakPolarHBondContact CB-O 3.29Å
57	L	96.1	Very high	92.3	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.1	170	65.7	82.6	0	0	0	111.3	W34 H36 I39 A44 L47 L48 R59 S70	W34-L57 CarbonylContact O-C 3.55Å; W34-L57 WeakPolarHBondContact O-CA 3.49Å; H36-L57 VanDerWaalsContact CD2-CB 3.5Å; H36-L57 WeakPolarHBondContact CD2-CB 3.38Å; I39-L57 HydrophobicContact CD1-CD1 4Å; A44-L57 HydrophobicContact CB-CD1 3.88Å; A44-L57 HydrophobicContact CB-CD2 4.37Å; L47-L57 HydrophobicContact CB-CD2 4Å; L47-L57 HydrophobicContact CD1-CD2 4.05Å; L48-L57 HydrophobicContact CD1-CD2 4.33Å; L48-L57 HydrophobicContact CD1-CG 4.27Å; L48-L57 HydrophobicContact CD2-CD2 4.27Å; L48-L57 HydrophobicContact CD2-CG 4.47Å; L48-L57 HydrophobicContact CG-CD2 3.95Å; L48-L57 HydrophobicContact CG-CG 4.34Å; L57-R59 HydrophobicContact CD1-CB 4.39Å; L57-S70 PolarHBondContact N-O 3.5Å; L57-S70 PolarHBondContact O-N 3.35Å
58	I	96.4	Very high	92.4	Very high	42 Å²	42	61.4 Å²	61.4	22%	0.215	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.7	176.2	-59.5	-172.6	0	0	0	109.1	W34 F35 H36 Y67 L69	W34-I58 HydrophobicContact CE3-CB 3.92Å; W34-I58 HydrophobicContact CE3-CD1 3.85Å; W34-I58 HydrophobicContact CE3-CG1 3.91Å; W34-I58 HydrophobicContact CZ3-CB 4.03Å; W34-I58 HydrophobicContact CZ3-CD1 3.66Å; W34-I58 HydrophobicContact CZ3-CG1 4.12Å; W34-I58 PolarHBondContact O-N 2.96Å; F35-I58 WeakPolarHBondContact CA-O 3.27Å; F35-I58 HydrophobicContact CD2-CB 4.29Å; F35-I58 HydrophobicContact CD2-CG2 4.11Å; F35-I58 WeakPolarHBondContact CD2-O 3.37Å; F35-I58 HydrophobicContact CE2-CG2 4.41Å; H36-I58 PolarHBondContact N-O 3.27Å; I58-Y67 HydrophobicContact CG2-CD1 3.98Å; I58-Y67 HydrophobicContact CG2-CG 4.01Å; I58-L69 HydrophobicContact CG1-CD1 4.01Å
59	R	95.3	Very high	92.5	Very high	13 Å²	13	65.7 Å²	65.7	5%	0.049	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.6	177.5	62	-170.7	178.7	86.6	4.4	111.4	G37 I39 L57 Y67 T68 S70	G37-R59 CarbonylContact O-C 3.51Å; G37-R59 VanDerWaalsContact O-CA 3.27Å; G37-R59 WeakPolarHBondContact O-CA 3.48Å; G37-R59 WeakPolarHBondContact O-CB 3.47Å; I39-R59 HydrophobicContact CD1-CB 4.48Å; I39-R59 HydrophobicContact CG1-CB 3.75Å; I39-R59 HydrophobicContact CG1-CG 4.47Å; L57-R59 HydrophobicContact CD1-CB 4.39Å; R59-Y67 CarbonylContact O-C 3.52Å; R59-Y67 WeakPolarHBondContact O-CA 3.29Å; R59-T68 PolarHBondContact N-O 3.46Å; R59-T68 PolarHBondContact O-N 3.37Å; R59-S70 PolarHBondContact NE-OG 2.62Å
60	V	94.8	Very high	92.7	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.012	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.7	171.9	-178.3	0	0	0	0	108.7	L15 F18 F35 G37 A38 H62 Y67	L15-V60 HydrophobicContact CD2-CG1 4.47Å; F18-V60 HydrophobicContact CD1-CG2 4.37Å; F18-V60 HydrophobicContact CD2-CG2 3.82Å; F18-V60 HydrophobicContact CE2-CG2 4.12Å; F18-V60 HydrophobicContact CG-CG2 3.97Å; F35-V60 HydrophobicContact CE2-CG2 4.46Å; F35-V60 HydrophobicContact CZ-CG2 4.01Å; G37-V60 PolarHBondContact O-N 3.27Å; A38-V60 HydrophobicContact CB-CB 4.2Å; V60-H62 PolarHBondContact O-N 2.85Å; V60-Y67 HydrophobicContact CG2-CE1 4.28Å
61	S	91.9	Very high	93.1	Very high	12 Å²	12	64.3 Å²	64.3	8%	0.084	35%	0.345	C	S	.	.			trans	-66.3	135.5	-178	175.8	0	0	0	0	111.8	R14 S63 H64 G66 T68	R14-S61 VanDerWaalsContact CD-O 3.29Å; R14-S61 WeakPolarHBondContact CD-O 3.45Å; S61-S63 VanDerWaalsContact C-N 3.29Å; S61-S63 PolarHBondContact OG-N 2.9Å; S61-H64 VanDerWaalsContact CB-O 3.27Å; S61-H64 WeakPolarHBondContact CB-O 3.06Å; S61-H64 PolarHBondContact OG-N 3.16Å; S61-H64 VanDerWaalsContact OG-N 3.16Å; S61-H64 PolarHBondContact OG-O 3.33Å; S61-G66 WeakPolarHBondContact CB-O 3.27Å; S61-G66 PolarHBondContact N-O 3.16Å; S61-T68 WeakPolarHBondContact CB-OG1 3.5Å
62	H	87.4	Confident	93.1	Very high	83 Å²	83	60.6 Å²	60.6	38%	0.384	33%	0.328	S	S	.	.	S	Bend	trans	-83.5	0.2	173.8	-85.1	-130.6	0	0	0	113.4	R14 I39 V60	R14-H62 VanDerWaalsContact CZ-C 3.41Å; R14-H62 PolarHBondContact NE-O 3.05Å; R14-H62 VanDerWaalsContact NH1-CA 3.31Å; R14-H62 PolarHBondContact NH1-O 2.88Å; R14-H62 PolarHBondContact NH2-O 3.49Å; I39-H62 PolarHBondContact O-NE2 3.21Å; I39-H62 VanDerWaalsContact O-NE2 3.16Å; V60-H62 PolarHBondContact O-N 2.85Å
63	S	86.9	Confident	93	Very high	85 Å²	85	60.7 Å²	60.7	59%	0.594	33%	0.327	S	S	*	.	S	Bend	trans	-127.3	-29.5	-174.9	-54.9	0	0	0	0	113.3	S61	S61-S63 VanDerWaalsContact C-N 3.29Å; S61-S63 PolarHBondContact OG-N 2.9Å
64	H	91.1	Very high	92.2	Very high	139 Å²	139	59.1 Å²	59.1	64%	0.644	33%	0.325	S	S	*	.	S	Bend	trans	-139.8	166.9	-176	-56.6	96.4	0	0	0	110.9	S61	S61-H64 VanDerWaalsContact CB-O 3.27Å; S61-H64 WeakPolarHBondContact CB-O 3.06Å; S61-H64 PolarHBondContact OG-N 3.16Å; S61-H64 VanDerWaalsContact OG-N 3.16Å; S61-H64 PolarHBondContact OG-O 3.33Å
65	V	92.4	Very high	91	Very high	85 Å²	85	60.8 Å²	60.8	52%	0.515	33%	0.334	S	S	.	.	S	Bend	trans	-71	127.9	170.7	177.3	0	0	0	0	108.6	R14 W17	R14-V65 HydrophobicContact CB-CG2 4.37Å; W17-V65 HydrophobicContact CB-CG1 3.82Å; W17-V65 HydrophobicContact CD2-CG1 3.39Å; W17-V65 HydrophobicContact CE3-CG1 3.81Å; W17-V65 HydrophobicContact CG-CG1 3.37Å
66	G	93.3	Very high	89.3	Confident	15 Å²	15	67.4 Å²	67.4	16%	0.155	36%	0.362	C	S	.	.	S	Bend	trans	125.1	-159.1	-177.8	0	0	0	0	0	112.9	S61	S61-G66 WeakPolarHBondContact CB-O 3.27Å; S61-G66 PolarHBondContact N-O 3.16Å
67	Y	94.4	Very high	87.5	Confident	89 Å²	89	67.1 Å²	67.1	35%	0.349	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	162.5	-172.9	-61.5	-70.3	0	0	0	112.6	W17 F18 Q22 F35 I58 R59 V60	W17-Y67 HydrophobicContact CH2-CD2 4.25Å; W17-Y67 AromaticContact CH2-CE2 3.66Å; W17-Y67 HydrophobicContact CH2-CE2 3.66Å; W17-Y67 AromaticContact CH2-CZ 3.87Å; W17-Y67 HydrophobicContact CZ3-CE2 4.36Å; F18-Y67 HydrophobicContact CD2-CE1 4.16Å; F18-Y67 HydrophobicContact CE2-CE1 4.19Å; Q22-Y67 WeakPolarHBondContact CB-OH 3.5Å; Q22-Y67 WeakPolarHBondContact CG-OH 3.26Å; Q22-Y67 PolarHBondContact OE1-OH 2.91Å; F35-Y67 HydrophobicContact CD2-CE1 4.49Å; F35-Y67 AromaticContact CE2-CD1 3.85Å; F35-Y67 HydrophobicContact CE2-CD1 3.85Å; F35-Y67 AromaticContact CE2-CE1 3.49Å; F35-Y67 HydrophobicContact CE2-CE1 3.49Å; F35-Y67 VanDerWaalsContact CE2-CE1 3.49Å; F35-Y67 AromaticContact CZ-CE1 3.96Å; F35-Y67 HydrophobicContact CZ-CE1 3.96Å; I58-Y67 HydrophobicContact CG2-CD1 3.98Å; I58-Y67 HydrophobicContact CG2-CG 4.01Å; R59-Y67 CarbonylContact O-C 3.52Å; R59-Y67 WeakPolarHBondContact O-CA 3.29Å; V60-Y67 HydrophobicContact CG2-CE1 4.28Å
68	T	95.9	Very high	85.7	Confident	40 Å²	40	75.2 Å²	75.2	25%	0.245	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.9	170.9	-58.7	0	0	0	0	108.6	R59 S61	R59-T68 PolarHBondContact N-O 3.46Å; R59-T68 PolarHBondContact O-N 3.37Å; S61-T68 WeakPolarHBondContact CB-OG1 3.5Å
69	L	95.6	Very high	83.9	Confident	102 Å²	102	77.5 Å²	77.5	53%	0.534	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124	171.2	179.1	67.2	0	0	0	108.6	F56 I58	F56-L69 HydrophobicContact CB-CD1 3.99Å; F56-L69 HydrophobicContact CD2-CD1 3.73Å; F56-L69 HydrophobicContact CG-CD1 4.21Å; I58-L69 HydrophobicContact CG1-CD1 4.01Å
70	S	95.1	Very high	81.8	Confident	15 Å²	15	81 Å²	81	11%	0.105	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.1	167.5	-73.3	0	0	0	0	107.9	F56 L57 R59	F56-S70 CarbonylContact C-O 3.1Å; F56-S70 VanDerWaalsContact CA-O 3.26Å; F56-S70 WeakPolarHBondContact CA-O 3.42Å; F56-S70 WeakPolarHBondContact CB-O 3.29Å; L57-S70 PolarHBondContact N-O 3.5Å; L57-S70 PolarHBondContact O-N 3.35Å; R59-S70 PolarHBondContact NE-OG 2.62Å
71	Y	94.5	Very high	79.9	Confident	150 Å²	150	85.9 Å²	85.9	59%	0.588	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.9	-177.7	71.6	-68.8	0	0	0	111	S55 V73	S55-Y71 CarbonylContact O-C 3.56Å; S55-Y71 WeakPolarHBondContact O-CA 3.31Å; Y71-V73 HydrophobicContact CD2-CG1 3.46Å; Y71-V73 VanDerWaalsContact CD2-CG1 3.46Å; Y71-V73 HydrophobicContact CE2-CB 4.46Å; Y71-V73 HydrophobicContact CE2-CG1 2.95Å; Y71-V73 HydrophobicContact CG-CG1 4.45Å
72	N	92.6	Very high	78	Confident	18 Å²	18	88.9 Å²	88.9	10%	0.096	53%	0.529	C	S	.	.			trans	-85.4	119.3	178.2	-169	-1.6	0	0	0	110.2	L48 Q51 G54 S55 S74	L48-N72 HydrophobicContact CB-CB 4.21Å; L48-N72 PolarHBondContact O-ND2 3.23Å; Q51-N72 PolarHBondContact O-ND2 2.97Å; G54-N72 PolarHBondContact N-O 2.94Å; S55-N72 PolarHBondContact O-N 3.03Å; N72-S74 WeakPolarHBondContact OD1-CB 3.23Å; N72-S74 PolarHBondContact OD1-N 3.48Å
73	V	87.1	Confident	76.6	Confident	92 Å²	92	92.9 Å²	92.9	56%	0.558	55%	0.551	S	S	*	*			trans	-106.4	-5.1	175.2	-65.8	0	0	0	0	113.4	Y71 A75	Y71-V73 HydrophobicContact CD2-CG1 3.46Å; Y71-V73 VanDerWaalsContact CD2-CG1 3.46Å; Y71-V73 HydrophobicContact CE2-CB 4.46Å; Y71-V73 HydrophobicContact CE2-CG1 2.95Å; Y71-V73 HydrophobicContact CG-CG1 4.45Å; V73-A75 PolarHBondContact O-N 3.05Å
74	S	76.7	Confident	74.7	Confident	76 Å²	76	94.3 Å²	94.3	53%	0.531	56%	0.561	S	S	.	*			trans	-78.1	112.2	-174.6	-60.5	0	0	0	0	109.4	N72 E76	N72-S74 WeakPolarHBondContact OD1-CB 3.23Å; N72-S74 PolarHBondContact OD1-N 3.48Å; S74-E76 PolarHBondContact O-N 2.81Å
75	A	63.9	Low	72.9	Confident	82 Å²	82	102.5 Å²	102.5	68%	0.678	59%	0.586	S	S	*	*			trans	-78.8	-2.4	174.7	0	0	0	0	0	112.8	L53 V73	L53-A75 VanDerWaalsContact CD1-CA 3.45Å; L53-A75 HydrophobicContact CD1-CB 3.49Å; L53-A75 VanDerWaalsContact CD1-CB 3.49Å; V73-A75 PolarHBondContact O-N 3.05Å
76	E	58.4	Low	71.9	Confident	167 Å²	167	103.4 Å²	103.4	78%	0.78	59%	0.59	S	S	*	*	S	Bend	trans	-106.8	126.2	-175.3	-86.9	-173	78.3	0	0	112.6	S74 K78	S74-E76 PolarHBondContact O-N 2.81Å; E76-K78 PolarHBondContact O-N 3.14Å; E76-K78 VanDerWaalsContact O-N 3.14Å
77	P	58.1	Low	70.8	Confident	99 Å²	99	108.1 Å²	108.1	64%	0.643	61%	0.613	S	S	*	*			trans	-68.1	109.1	164.9	27.1	-29.4	0	0	0	108.9	A79 A80	P77-A79 PolarHBondContact O-N 2.84Å; P77-A80 PolarHBondContact O-N 3.03Å
78	K	58.9	Low	69.5	Low	173 Å²	173	109.1 Å²	109.1	75%	0.752	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	8.8	179	-158.8	-176	172	-176	0	114.5	E49 E76	E49-K78 WeakPolarHBondContact OE1-CD 3.33Å; E49-K78 WeakPolarHBondContact OE1-CE 3.37Å; E49-K78 IonicContact OE1-NZ 2.69Å; E49-K78 PolarHBondContact OE1-NZ 3.19Å; E76-K78 PolarHBondContact O-N 3.14Å; E76-K78 VanDerWaalsContact O-N 3.14Å
79	A	56.9	Low	67.9	Low	91 Å²	91	113.2 Å²	113.2	75%	0.752	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-3.2	178.4	0	0	0	0	0	114.5	P77 A81	P77-A79 PolarHBondContact O-N 2.84Å; A79-A81 VanDerWaalsContact C-N 3.34Å; A79-A81 PolarHBondContact O-N 3.3Å
80	A	52.8	Low	66.2	Low	87 Å²	87	113.9 Å²	113.9	72%	0.719	66%	0.657	S	S	*	*			trans	-87.9	11.1	-175.2	0	0	0	0	0	115.4	P77 A82	P77-A80 PolarHBondContact O-N 3.03Å; A80-A82 VanDerWaalsContact C-N 3.3Å; A80-A82 PolarHBondContact O-N 3.04Å
81	A	53.2	Low	64.2	Low	103 Å²	103	120.5 Å²	120.5	85%	0.851	69%	0.694	S	S	*	*			trans	-93.6	45	174.6	0	0	0	0	0	112.3	A79	A79-A81 VanDerWaalsContact C-N 3.34Å; A79-A81 PolarHBondContact O-N 3.3Å
82	A	53.6	Low	62.1	Low	76 Å²	76	118.4 Å²	118.4	63%	0.628	70%	0.702	S	S	*	*			trans	-149.9	91.4	165.9	0	0	0	0	0	107.5	A80	A80-A82 VanDerWaalsContact C-N 3.3Å; A80-A82 PolarHBondContact O-N 3.04Å
83	I	57.2	Low	59.7	Low	167 Å²	167	126.1 Å²	126.1	86%	0.856	75%	0.748	S	S	*	*			trans	167.7	102.8	146.8	-76.8	144.6	0	0	0	104.7
84	S	47	Very low	57.4	Low	114 Å²	114	128.9 Å²	128.9	80%	0.797	76%	0.764	S	S	*	*			trans	-139.3	124.8	153.7	-171.9	0	0	0	0	108
85	W	52.8	Low	55.7	Low	312 Å²	312	133.7 Å²	133.7	100%	1.182	79%	0.785	S	S	*	*			trans	-25.7	0	-176.5	-51.6	82.8	0	0	0	118.9

Retrieved 85 of 85 residues in 50.1 ms (Link to these results)

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