X5J5B7_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5B7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 99 aa.

						>X5J5B7_MOUSE|X5J5B7
SCKASGYTFTDYEMHWVKQTPVHGLEWIGAIDPETGGTAYNQKFKGKAILTADKSSSTAYMELRSLTSEDSAVYYCTRKISNYGYFDVWGTGTTVTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	S	97.1	Very high	94	Very high	106 Å²	106	68.3 Å²	68.3	74%	0.741	43%	0.428	S	S	*	.				0	163.6	0	51.6	0	0	0	0	109.2	A59 Y60	S1-A59 CarbonylContact C-O 3.56Å; S1-A59 VanDerWaalsContact CA-O 3.25Å; S1-A59 WeakPolarHBondContact CA-O 3.47Å; S1-Y60 VanDerWaalsContact CB-CD1 3.45Å
2	C	97.4	Very high	93.7	Very high	17 Å²	17	67.6 Å²	67.6	12%	0.115	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	115.6	177.2	179.1	0	0	0	0	109.1	W16 T58 A59 C76	C2-W16 HydrophobicContact CB-CH2 3.63Å; C2-W16 HydrophobicContact CB-CZ2 3.99Å; C2-W16 HydrophobicContact CB-CZ3 4.39Å; C2-T58 WeakPolarHBondContact O-CA 3.03Å; C2-A59 PolarHBondContact N-O 3.06Å; C2-A59 PolarHBondContact O-N 3.18Å; C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.38Å; C2-C76 WeakPolarHBondContact SG-CB 3.47Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 2.77Å
3	K	97	Very high	93.7	Very high	155 Å²	155	67.5 Å²	67.5	67%	0.674	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.2	-179.8	-177.1	171.9	-177.3	178.5	0	109.8	T58	K3-T58 HydrophobicContact CB-CG2 4.47Å
4	A	94.7	Very high	93.8	Very high	9 Å²	9	63 Å²	63	7%	0.074	38%	0.377	C	S	.	.			trans	-77	148.1	175.3	0	0	0	0	0	111.2	Y7 F9 S57	A4-Y7 HydrophobicContact CB-CE1 4.07Å; A4-Y7 HydrophobicContact CB-CE2 3.94Å; A4-Y7 VanDerWaalsContact CB-CZ 3.5Å; A4-Y7 VanDerWaalsContact CB-OH 3.29Å; A4-Y7 WeakPolarHBondContact CB-OH 3.47Å; A4-F9 HydrophobicContact CB-CB 4.19Å; A4-F9 HydrophobicContact CB-CD2 3.46Å; A4-F9 VanDerWaalsContact CB-CD2 3.46Å; A4-F9 HydrophobicContact CB-CE2 4.18Å; A4-F9 HydrophobicContact CB-CG 4.13Å; A4-S57 PolarHBondContact N-O 3.31Å
5	S	92.9	Very high	94	Very high	101 Å²	101	59.4 Å²	59.4	71%	0.706	36%	0.355	S	S	*	.			trans	-150.6	150.3	173.4	65.1	0	0	0	0	110.3	Y7	S5-Y7 VanDerWaalsContact C-N 3.35Å; S5-Y7 WeakPolarHBondContact O-CD1 3.23Å; S5-Y7 WeakPolarHBondContact O-CE1 3.3Å; S5-Y7 PolarHBondContact O-N 2.93Å
6	G	91.6	Very high	94.2	Very high	90 Å²	90	56.4 Å²	56.4	93%	0.928	34%	0.335	S	S	*	.	S	Bend	trans	79.9	7.8	178.2	0	0	0	0	0	115.7
7	Y	89.1	Confident	94.4	Very high	52 Å²	52	53.4 Å²	53.4	20%	0.204	32%	0.317	C	S	.	.	S	Bend	trans	-157.3	164	174	60.8	-87.3	0	0	0	111.3	A4 S5 F9 Y12 R78	A4-Y7 HydrophobicContact CB-CE1 4.07Å; A4-Y7 HydrophobicContact CB-CE2 3.94Å; A4-Y7 VanDerWaalsContact CB-CZ 3.5Å; A4-Y7 VanDerWaalsContact CB-OH 3.29Å; A4-Y7 WeakPolarHBondContact CB-OH 3.47Å; S5-Y7 VanDerWaalsContact C-N 3.35Å; S5-Y7 WeakPolarHBondContact O-CD1 3.23Å; S5-Y7 WeakPolarHBondContact O-CE1 3.3Å; S5-Y7 PolarHBondContact O-N 2.93Å; Y7-F9 PolarHBondContact O-N 3.08Å; Y7-Y12 AromaticContact CD2-CD2 3.54Å; Y7-Y12 HydrophobicContact CD2-CD2 3.54Å; Y7-Y12 AromaticContact CD2-CE2 3.88Å; Y7-Y12 HydrophobicContact CD2-CE2 3.88Å; Y7-Y12 AromaticContact CE2-CD2 3.96Å; Y7-Y12 HydrophobicContact CE2-CD2 3.96Å; Y7-Y12 HydrophobicContact CG-CD2 4.43Å; Y7-Y12 HydrophobicContact CG-CE2 4.37Å; Y7-R78 VanDerWaalsContact CE2-CD 3.49Å; Y7-R78 HydrophobicContact CE2-CG 4.33Å
8	T	93.3	Very high	94.5	Very high	78 Å²	78	51 Å²	51	48%	0.479	30%	0.302	S	S	.	.			trans	-68.7	110.8	171.9	-51	0	0	0	0	109.5	T10 D11	T8-T10 WeakPolarHBondContact CG2-OG1 3.31Å; T8-T10 PolarHBondContact O-N 2.75Å; T8-T10 VanDerWaalsContact O-N 3.17Å; T8-D11 VanDerWaalsContact CB-CG 3.49Å; T8-D11 VanDerWaalsContact CB-OD2 3.24Å; T8-D11 WeakPolarHBondContact CB-OD2 3.36Å; T8-D11 WeakPolarHBondContact CG2-OD1 3.38Å; T8-D11 PolarHBondContact O-N 2.98Å; T8-D11 VanDerWaalsContact O-N 3.09Å
9	F	94.1	Very high	94.6	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.031	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-57.3	-34	-172.6	175.9	-125.9	0	0	0	113.9	A4 Y7 D11 M14 P33 A52 S57 A59	A4-F9 HydrophobicContact CB-CB 4.19Å; A4-F9 HydrophobicContact CB-CD2 3.46Å; A4-F9 VanDerWaalsContact CB-CD2 3.46Å; A4-F9 HydrophobicContact CB-CE2 4.18Å; A4-F9 HydrophobicContact CB-CG 4.13Å; Y7-F9 PolarHBondContact O-N 3.08Å; F9-D11 VanDerWaalsContact C-N 3.33Å; F9-D11 PolarHBondContact O-N 2.83Å; F9-M14 HydrophobicContact CD2-CE 4.48Å; F9-M14 HydrophobicContact CE2-CE 3.9Å; F9-P33 HydrophobicContact CD1-CB 3.77Å; F9-P33 HydrophobicContact CD1-CG 4.24Å; F9-P33 HydrophobicContact CD2-CG 4.15Å; F9-P33 HydrophobicContact CE1-CB 3.46Å; F9-P33 VanDerWaalsContact CE1-CB 3.46Å; F9-P33 HydrophobicContact CE1-CG 3.85Å; F9-P33 HydrophobicContact CE2-CB 4.26Å; F9-P33 HydrophobicContact CE2-CG 3.71Å; F9-P33 HydrophobicContact CG-CB 4.34Å; F9-P33 HydrophobicContact CG-CG 4.41Å; F9-P33 HydrophobicContact CZ-CB 3.72Å; F9-P33 HydrophobicContact CZ-CG 3.56Å; F9-A52 HydrophobicContact CE1-CB 4.2Å; F9-A52 HydrophobicContact CZ-CB 4.2Å; F9-S57 VanDerWaalsContact CD1-CA 3.47Å; F9-A59 HydrophobicContact CE2-CB 4.37Å; F9-A59 HydrophobicContact CZ-CB 4Å
10	T	94.4	Very high	94.6	Very high	40 Å²	40	50.4 Å²	50.4	25%	0.245	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-76	-15.4	-179.2	49.7	0	0	0	0	114.3	T8 Y12 P33 K54	T8-T10 WeakPolarHBondContact CG2-OG1 3.31Å; T8-T10 PolarHBondContact O-N 2.75Å; T8-T10 VanDerWaalsContact O-N 3.17Å; T10-Y12 PolarHBondContact O-N 3.3Å; T10-P33 HydrophobicContact CG2-CB 4.49Å; T10-K54 HydrophobicContact CG2-CD 4.42Å; T10-K54 HydrophobicContact CG2-CG 4.19Å
11	D	91.9	Very high	94.2	Very high	96 Å²	96	54.3 Å²	54.3	51%	0.513	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-76	-5	-178.2	-65.5	1	0	0	0	112.6	T8 F9	T8-D11 VanDerWaalsContact CB-CG 3.49Å; T8-D11 VanDerWaalsContact CB-OD2 3.24Å; T8-D11 WeakPolarHBondContact CB-OD2 3.36Å; T8-D11 WeakPolarHBondContact CG2-OD1 3.38Å; T8-D11 PolarHBondContact O-N 2.98Å; T8-D11 VanDerWaalsContact O-N 3.09Å; F9-D11 VanDerWaalsContact C-N 3.33Å; F9-D11 PolarHBondContact O-N 2.83Å
12	Y	91.4	Very high	93.7	Very high	60 Å²	60	55 Å²	55	24%	0.235	32%	0.32	C	S	.	.	S	Bend	trans	-144.7	144.4	-171.6	-55.8	-89.4	0	0	0	113.2	Y7 T10 P33 R78 K79 I80	Y7-Y12 AromaticContact CD2-CD2 3.54Å; Y7-Y12 HydrophobicContact CD2-CD2 3.54Å; Y7-Y12 AromaticContact CD2-CE2 3.88Å; Y7-Y12 HydrophobicContact CD2-CE2 3.88Å; Y7-Y12 AromaticContact CE2-CD2 3.96Å; Y7-Y12 HydrophobicContact CE2-CD2 3.96Å; Y7-Y12 HydrophobicContact CG-CD2 4.43Å; Y7-Y12 HydrophobicContact CG-CE2 4.37Å; T10-Y12 PolarHBondContact O-N 3.3Å; Y12-P33 WeakPolarHBondContact O-CD 3.29Å; Y12-P33 WeakPolarHBondContact O-CG 3.49Å; Y12-R78 HydrophobicContact CD1-CG 3.91Å; Y12-R78 HydrophobicContact CD2-CG 4.38Å; Y12-R78 HydrophobicContact CG-CG 3.66Å; Y12-K79 WeakPolarHBondContact CD1-O 3.2Å; Y12-I80 HydrophobicContact CD1-CG1 4.19Å; Y12-I80 HydrophobicContact CE1-CB 4.3Å; Y12-I80 HydrophobicContact CE1-CD1 4.48Å; Y12-I80 HydrophobicContact CE1-CG1 3.81Å; Y12-I80 HydrophobicContact CE1-CG2 4.14Å
13	E	93.4	Very high	93.1	Very high	67 Å²	67	60.6 Å²	60.6	31%	0.313	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	138.6	168.6	-63.3	-179.9	148.6	0	0	110.9	H15 I31 D32 K79	E13-H15 IonicContact OE2-CE1 2.71Å; E13-H15 IonicContact OE2-NE2 3.69Å; E13-H15 PolarHBondContact OE2-NE2 3.18Å; E13-I31 WeakPolarHBondContact CA-O 3.4Å; E13-D32 HydrophobicContact CG-CB 4.28Å; E13-K79 PolarHBondContact O-N 3.37Å
14	M	95.5	Very high	92.9	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.02	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.1	168.9	-173	65.6	66.9	0	0	109.8	F9 A30 I31 A59 C76	F9-M14 HydrophobicContact CD2-CE 4.48Å; F9-M14 HydrophobicContact CE2-CE 3.9Å; M14-A30 CarbonylContact O-C 3.55Å; M14-A30 VanDerWaalsContact O-CA 3.26Å; M14-A30 WeakPolarHBondContact O-CA 3.5Å; M14-I31 HydrophobicContact CB-CG2 4.1Å; M14-I31 PolarHBondContact N-O 2.9Å; M14-I31 PolarHBondContact O-N 2.86Å; M14-A59 HydrophobicContact CB-CB 3.95Å; M14-A59 HydrophobicContact CG-CB 3.63Å; M14-C76 HydrophobicContact CG-CB 4.48Å; M14-C76 HydrophobicContact SD-CB 3.81Å
15	H	96.3	Very high	92.9	Very high	9 Å²	9	59 Å²	59	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	150.5	178.5	-64.2	-110	0	0	0	111.1	E13 W27 G29 A30 C76 T77 K79 F86	E13-H15 IonicContact OE2-CE1 2.71Å; E13-H15 IonicContact OE2-NE2 3.69Å; E13-H15 PolarHBondContact OE2-NE2 3.18Å; H15-W27 AromaticContact CG-NE1 3.87Å; H15-W27 AromaticContact ND1-CE2 3.88Å; H15-W27 AromaticContact ND1-NE1 3.14Å; H15-W27 PolarHBondContact ND1-NE1 3.32Å; H15-W27 VanDerWaalsContact ND1-NE1 3.14Å; H15-G29 WeakPolarHBondContact CA-O 3.13Å; H15-A30 VanDerWaalsContact CE1-CB 3.49Å; H15-A30 WeakPolarHBondContact CE1-CB 2.99Å; H15-A30 WeakPolarHBondContact ND1-CB 3.18Å; H15-C76 CarbonylContact O-C 3.41Å; H15-C76 VanDerWaalsContact O-CA 3.25Å; H15-C76 WeakPolarHBondContact O-CA 3.32Å; H15-T77 HydrophobicContact CB-CG2 3.83Å; H15-T77 WeakPolarHBondContact CB-O 3.47Å; H15-T77 PolarHBondContact N-O 2.79Å; H15-T77 PolarHBondContact O-N 2.82Å; H15-K79 VanDerWaalsContact CD2-CB 3.49Å; H15-K79 WeakPolarHBondContact CD2-CB 3.31Å; H15-K79 WeakPolarHBondContact NE2-CB 3.43Å; H15-F86 HydrophobicContact CB-CE1 3.75Å; H15-F86 HydrophobicContact CB-CZ 4.24Å; H15-F86 AromaticContact CD2-CE1 3.77Å; H15-F86 AromaticContact CG-CE1 3.42Å; H15-F86 VanDerWaalsContact CG-CE1 3.42Å; H15-F86 AromaticContact ND1-CE1 3.56Å; H15-F86 AromaticContact ND1-CZ 3.88Å
16	W	97.5	Very high	93	Very high	12 Å²	12	55.5 Å²	55.5	5%	0.045	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.3	175.3	-65.4	91.6	0	0	0	110.2	C2 I28 G29 L50 A59 M61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.63Å; C2-W16 HydrophobicContact CB-CZ2 3.99Å; C2-W16 HydrophobicContact CB-CZ3 4.39Å; W16-I28 HydrophobicContact CB-CB 4.09Å; W16-I28 HydrophobicContact CB-CD1 4.24Å; W16-I28 WeakPolarHBondContact O-CB 3.05Å; W16-I28 PolarHBondContact O-N 3.49Å; W16-G29 PolarHBondContact N-O 3.09Å; W16-L50 HydrophobicContact CG-CD2 4.2Å; W16-A59 HydrophobicContact CZ2-CB 4.23Å; W16-M61 HydrophobicContact CB-CE 4.4Å; W16-M61 HydrophobicContact CB-SD 3.71Å; W16-M61 HydrophobicContact CD2-CB 3.67Å; W16-M61 HydrophobicContact CD2-CE 4.04Å; W16-M61 HydrophobicContact CD2-CG 4.41Å; W16-M61 HydrophobicContact CD2-SD 3.92Å; W16-M61 HydrophobicContact CE3-CB 4.01Å; W16-M61 HydrophobicContact CE3-CE 3.56Å; W16-M61 HydrophobicContact CE3-SD 4.08Å; W16-M61 HydrophobicContact CG-CB 4.15Å; W16-M61 HydrophobicContact CG-CE 4.42Å; W16-M61 HydrophobicContact CG-SD 3.78Å; W16-M61 HydrophobicContact CH2-CB 4.17Å; W16-M61 HydrophobicContact CZ2-CB 3.86Å; W16-M61 HydrophobicContact CZ3-CB 4.24Å; W16-M61 HydrophobicContact CZ3-CE 4.14Å; W16-Y75 WeakPolarHBondContact CA-O 3.41Å; W16-C76 HydrophobicContact CD2-CB 4.42Å; W16-C76 HydrophobicContact CE3-CB 4.07Å; W16-C76 HydrophobicContact CH2-CB 4.17Å; W16-C76 HydrophobicContact CZ2-CB 4.49Å; W16-C76 HydrophobicContact CZ3-CB 3.95Å
17	V	97	Very high	93.1	Very high	4 Å²	4	55 Å²	55	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.4	-175.8	-176.9	0	0	0	0	109.2	L25 E26 Y74 Y75 T77 W89	V17-L25 HydrophobicContact CG1-CB 3.89Å; V17-L25 HydrophobicContact CG1-CD2 3.79Å; V17-L25 HydrophobicContact CG1-CG 4.37Å; V17-E26 CarbonylContact C-O 3.58Å; V17-E26 WeakPolarHBondContact CA-O 3.49Å; V17-E26 WeakPolarHBondContact CG1-O 3.41Å; V17-Y74 WeakPolarHBondContact O-CA 3.48Å; V17-Y75 PolarHBondContact N-O 3.24Å; V17-Y75 PolarHBondContact O-N 3.09Å; V17-T77 HydrophobicContact CG2-CG2 4.23Å; V17-W89 HydrophobicContact CB-CH2 4.16Å; V17-W89 HydrophobicContact CB-CZ3 3.89Å; V17-W89 HydrophobicContact CG1-CH2 4.15Å; V17-W89 HydrophobicContact CG1-CZ3 4.12Å; V17-W89 HydrophobicContact CG2-CH2 3.83Å; V17-W89 HydrophobicContact CG2-CZ3 3.95Å
18	K	96.3	Very high	93.5	Very high	11 Å²	11	52.6 Å²	52.6	5%	0.048	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.1	172.6	-175.9	-175.4	-179.8	-171.1	0	108.5	T20 L25 E26 I28 F44 E69 D70 A72 Y74	K18-T20 HydrophobicContact CD-CG2 4.19Å; K18-T20 HydrophobicContact CG-CG2 4.27Å; K18-L25 CarbonylContact O-C 3.54Å; K18-L25 WeakPolarHBondContact O-CA 3.16Å; K18-E26 HydrophobicContact CB-CB 4.45Å; K18-E26 PolarHBondContact N-O 2.79Å; K18-E26 PolarHBondContact O-N 3.18Å; K18-I28 HydrophobicContact CB-CD1 3.99Å; K18-I28 HydrophobicContact CB-CG1 4.13Å; K18-F44 HydrophobicContact CB-CZ 4.42Å; K18-F44 HydrophobicContact CD-CE1 4.05Å; K18-F44 HydrophobicContact CD-CZ 3.96Å; K18-E69 PolarHBondContact NZ-O 2.95Å; K18-D70 IonicContact NZ-OD1 3.3Å; K18-D70 PolarHBondContact NZ-OD1 3.1Å; K18-A72 HydrophobicContact CD-CB 4.06Å; K18-A72 VanDerWaalsContact CE-CB 3.5Å; K18-A72 HydrophobicContact CG-CB 3.41Å; K18-A72 VanDerWaalsContact CG-CB 3.41Å; K18-Y74 HydrophobicContact CB-CD1 4.26Å; K18-Y74 HydrophobicContact CB-CE1 4.01Å; K18-Y74 HydrophobicContact CD-CE1 4.26Å; K18-Y74 HydrophobicContact CG-CD1 4.41Å; K18-Y74 HydrophobicContact CG-CE1 3.9Å
19	Q	97.1	Very high	93.7	Very high	75 Å²	75	48.9 Å²	48.9	35%	0.35	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.3	169.7	-166.8	-179.7	19	0	0	110.3	G24 L25 A72 V73 Y75	Q19-G24 VanDerWaalsContact CA-O 3.31Å; Q19-G24 WeakPolarHBondContact CA-O 3.49Å; Q19-L25 HydrophobicContact CB-CD2 3.75Å; Q19-L25 HydrophobicContact CG-CD2 3.81Å; Q19-A72 VanDerWaalsContact O-CB 3.23Å; Q19-A72 WeakPolarHBondContact O-CB 3.46Å; Q19-V73 HydrophobicContact CB-CB 4.48Å; Q19-V73 PolarHBondContact N-O 2.86Å; Q19-V73 PolarHBondContact O-N 3.2Å; Q19-V73 VanDerWaalsContact O-N 3.08Å; Q19-Y75 HydrophobicContact CB-CD2 4.25Å; Q19-Y75 HydrophobicContact CB-CE2 3.68Å; Q19-Y75 PolarHBondContact OE1-OH 3.17Å; Q19-Y75 VanDerWaalsContact OE1-OH 3.1Å
20	T	94	Very high	93.8	Very high	15 Å²	15	48.7 Å²	48.7	9%	0.092	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.7	170.3	67.8	0	0	0	0	110.2	K18 V22 H23 G24 A72	K18-T20 HydrophobicContact CD-CG2 4.19Å; K18-T20 HydrophobicContact CG-CG2 4.27Å; T20-V22 PolarHBondContact O-N 2.83Å; T20-H23 WeakPolarHBondContact OG1-CB 3.35Å; T20-H23 PolarHBondContact OG1-N 3.04Å; T20-G24 PolarHBondContact N-O 2.9Å; T20-G24 WeakPolarHBondContact O-CA 3.37Å; T20-G24 PolarHBondContact O-N 2.75Å; T20-A72 HydrophobicContact CG2-CB 4.13Å
21	P	86.9	Confident	93.9	Very high	132 Å²	132	47 Å²	47	86%	0.857	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.9	173.7	-24.9	34.4	0	0	0	113.5
22	V	86.4	Confident	94.1	Very high	121 Å²	121	43.9 Å²	43.9	73%	0.733	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-46.2	-173.2	-176.9	0	0	0	0	112.2	T20	T20-V22 PolarHBondContact O-N 2.83Å
23	H	84.3	Confident	94.3	Very high	134 Å²	134	41.1 Å²	41.1	62%	0.62	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	0.3	-171.1	-56.1	96.8	0	0	0	113.7	T20	T20-H23 WeakPolarHBondContact OG1-CB 3.35Å; T20-H23 PolarHBondContact OG1-N 3.04Å
24	G	92.3	Very high	94.3	Very high	29 Å²	29	43.6 Å²	43.6	30%	0.299	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68	-141.5	-178	0	0	0	0	0	111.9	Q19 T20	Q19-G24 VanDerWaalsContact CA-O 3.31Å; Q19-G24 WeakPolarHBondContact CA-O 3.49Å; T20-G24 PolarHBondContact N-O 2.9Å; T20-G24 WeakPolarHBondContact O-CA 3.37Å; T20-G24 PolarHBondContact O-N 2.75Å
25	L	94.4	Very high	94.4	Very high	101 Å²	101	48.1 Å²	48.1	53%	0.529	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.9	-177.4	-64.5	174.2	0	0	0	111.6	V17 K18 Q19 W89	V17-L25 HydrophobicContact CG1-CB 3.89Å; V17-L25 HydrophobicContact CG1-CD2 3.79Å; V17-L25 HydrophobicContact CG1-CG 4.37Å; K18-L25 CarbonylContact O-C 3.54Å; K18-L25 WeakPolarHBondContact O-CA 3.16Å; Q19-L25 HydrophobicContact CB-CD2 3.75Å; Q19-L25 HydrophobicContact CG-CD2 3.81Å; L25-W89 HydrophobicContact CD1-CH2 4.16Å
26	E	95.3	Very high	94.3	Very high	28 Å²	28	49.9 Å²	49.9	13%	0.131	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.9	174.7	-65.6	-172.3	95.6	0	0	109.8	V17 K18 I28 K43 F44	V17-E26 CarbonylContact C-O 3.58Å; V17-E26 WeakPolarHBondContact CA-O 3.49Å; V17-E26 WeakPolarHBondContact CG1-O 3.41Å; K18-E26 HydrophobicContact CB-CB 4.45Å; K18-E26 PolarHBondContact N-O 2.79Å; K18-E26 PolarHBondContact O-N 3.18Å; E26-I28 PolarHBondContact O-N 2.92Å; E26-K43 IonicContact OE1-NZ 3.55Å; E26-K43 PolarHBondContact OE1-NZ 2.95Å; E26-F44 HydrophobicContact CB-CE2 4.43Å; E26-F44 HydrophobicContact CB-CZ 4.5Å
27	W	95.2	Very high	94.3	Very high	81 Å²	81	51 Å²	51	31%	0.307	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.7	175	-179.6	71.2	0	0	0	110.7	H15 G29 A30 A39 N41	H15-W27 AromaticContact CG-NE1 3.87Å; H15-W27 AromaticContact ND1-CE2 3.88Å; H15-W27 AromaticContact ND1-NE1 3.14Å; H15-W27 PolarHBondContact ND1-NE1 3.32Å; H15-W27 VanDerWaalsContact ND1-NE1 3.14Å; W27-G29 VanDerWaalsContact CE2-C 3.45Å; W27-G29 PolarHBondContact NE1-O 3.25Å; W27-A30 HydrophobicContact CZ2-CB 3.89Å; W27-A39 HydrophobicContact CH2-CB 3.96Å; W27-A39 HydrophobicContact CZ2-CB 4.39Å; W27-N41 HydrophobicContact CE3-CB 3.83Å; W27-N41 HydrophobicContact CZ3-CB 4.05Å; W27-N41 WeakPolarHBondContact O-CB 3.27Å; W27-N41 PolarHBondContact O-ND2 3.02Å
28	I	96.8	Very high	94.3	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-50.9	-178.1	-61.4	172.7	0	0	0	110.2	W16 K18 E26 N41 F44 A48 M61 Y74	W16-I28 HydrophobicContact CB-CB 4.09Å; W16-I28 HydrophobicContact CB-CD1 4.24Å; W16-I28 WeakPolarHBondContact O-CB 3.05Å; W16-I28 PolarHBondContact O-N 3.49Å; K18-I28 HydrophobicContact CB-CD1 3.99Å; K18-I28 HydrophobicContact CB-CG1 4.13Å; E26-I28 PolarHBondContact O-N 2.92Å; I28-N41 PolarHBondContact O-N 3.11Å; I28-F44 HydrophobicContact CB-CD2 4.28Å; I28-F44 HydrophobicContact CB-CG 4.23Å; I28-F44 HydrophobicContact CG1-CD1 4.17Å; I28-F44 HydrophobicContact CG1-CD2 4.23Å; I28-F44 HydrophobicContact CG1-CE1 4.09Å; I28-F44 HydrophobicContact CG1-CE2 4.13Å; I28-F44 HydrophobicContact CG1-CG 4.24Å; I28-F44 HydrophobicContact CG1-CZ 4.06Å; I28-F44 HydrophobicContact CG2-CB 3.78Å; I28-F44 HydrophobicContact CG2-CD1 4.09Å; I28-F44 HydrophobicContact CG2-CD2 4.35Å; I28-F44 HydrophobicContact CG2-CG 3.82Å; I28-A48 HydrophobicContact CG2-CB 3.83Å; I28-M61 HydrophobicContact CD1-CE 3.97Å; I28-M61 HydrophobicContact CD1-SD 3.7Å; I28-M61 HydrophobicContact CG2-SD 3.93Å; I28-Y74 HydrophobicContact CD1-CD1 3.65Å; I28-Y74 HydrophobicContact CD1-CE1 3.69Å
29	G	96.6	Very high	94.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.2	178.7	-172.5	0	0	0	0	0	112.5	H15 W16 W27 A39	H15-G29 WeakPolarHBondContact CA-O 3.13Å; W16-G29 PolarHBondContact N-O 3.09Å; W27-G29 VanDerWaalsContact CE2-C 3.45Å; W27-G29 PolarHBondContact NE1-O 3.25Å; G29-A39 CarbonylContact C-O 3.43Å; G29-A39 WeakPolarHBondContact CA-O 3.4Å
30	A	96.2	Very high	94.3	Very high	4 Å²	4	55 Å²	55	3%	0.033	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.3	176	0	0	0	0	0	110.7	M14 H15 W27 T38 A39 L50	M14-A30 CarbonylContact O-C 3.55Å; M14-A30 VanDerWaalsContact O-CA 3.26Å; M14-A30 WeakPolarHBondContact O-CA 3.5Å; H15-A30 VanDerWaalsContact CE1-CB 3.49Å; H15-A30 WeakPolarHBondContact CE1-CB 2.99Å; H15-A30 WeakPolarHBondContact ND1-CB 3.18Å; W27-A30 HydrophobicContact CZ2-CB 3.89Å; A30-T38 VanDerWaalsContact O-CA 3.31Å; A30-T38 WeakPolarHBondContact O-CA 3.45Å; A30-A39 PolarHBondContact N-O 2.82Å; A30-A39 PolarHBondContact O-N 3.25Å; A30-L50 WeakPolarHBondContact O-CD1 3.47Å
31	I	96.8	Very high	94.3	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.9	167.4	-176.4	164.2	0	0	0	109.3	E13 M14 P33 G37 T38 L50 T51 A52 A59	E13-I31 WeakPolarHBondContact CA-O 3.4Å; M14-I31 HydrophobicContact CB-CG2 4.1Å; M14-I31 PolarHBondContact N-O 2.9Å; M14-I31 PolarHBondContact O-N 2.86Å; I31-P33 VanDerWaalsContact O-CD 3.32Å; I31-P33 WeakPolarHBondContact O-CD 3.46Å; I31-G37 WeakPolarHBondContact CA-O 3.25Å; I31-T38 HydrophobicContact CB-CG2 4.13Å; I31-T38 HydrophobicContact CD1-CG2 4.07Å; I31-T38 HydrophobicContact CG1-CG2 3.97Å; I31-L50 HydrophobicContact CB-CB 4.13Å; I31-L50 HydrophobicContact CG2-CB 4.46Å; I31-T51 VanDerWaalsContact CD1-CA 3.44Å; I31-A52 HydrophobicContact CD1-CB 3.8Å; I31-A52 HydrophobicContact CG1-CB 4.34Å; I31-A59 HydrophobicContact CG2-CB 4.38Å
32	D	95.8	Very high	94.7	Very high	31 Å²	31	57.1 Å²	57.1	17%	0.166	32%	0.324	C	S	.	.			trans	-82.1	112	165.6	176.5	-10.3	0	0	0	108.4	E13 E34 T35 G36 G37	E13-D32 HydrophobicContact CG-CB 4.28Å; D32-E34 VanDerWaalsContact C-N 3.25Å; D32-E34 PolarHBondContact O-N 3.19Å; D32-E34 WeakPolarHBondContact OD1-CA 3.39Å; D32-E34 VanDerWaalsContact OD1-CB 3.31Å; D32-E34 WeakPolarHBondContact OD1-CB 3.39Å; D32-E34 PolarHBondContact OD1-N 2.89Å; D32-T35 WeakPolarHBondContact CB-OG1 3.49Å; D32-T35 PolarHBondContact OD1-N 2.87Å; D32-T35 WeakPolarHBondContact OD2-CB 3.16Å; D32-T35 VanDerWaalsContact OD2-CG2 3.26Å; D32-T35 WeakPolarHBondContact OD2-CG2 3.49Å; D32-T35 PolarHBondContact OD2-OG1 2.89Å; D32-G36 WeakPolarHBondContact O-CA 3.49Å; D32-G36 PolarHBondContact O-N 3.44Å; D32-G37 PolarHBondContact N-O 3.32Å
33	P	95.7	Very high	94.9	Very high	2 Å²	2	58 Å²	58	1%	0.013	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.5	-180	-18.7	34	0	0	0	113.6	F9 T10 Y12 I31 A52 K54	F9-P33 HydrophobicContact CD1-CB 3.77Å; F9-P33 HydrophobicContact CD1-CG 4.24Å; F9-P33 HydrophobicContact CD2-CG 4.15Å; F9-P33 HydrophobicContact CE1-CB 3.46Å; F9-P33 VanDerWaalsContact CE1-CB 3.46Å; F9-P33 HydrophobicContact CE1-CG 3.85Å; F9-P33 HydrophobicContact CE2-CB 4.26Å; F9-P33 HydrophobicContact CE2-CG 3.71Å; F9-P33 HydrophobicContact CG-CB 4.34Å; F9-P33 HydrophobicContact CG-CG 4.41Å; F9-P33 HydrophobicContact CZ-CB 3.72Å; F9-P33 HydrophobicContact CZ-CG 3.56Å; T10-P33 HydrophobicContact CG2-CB 4.49Å; Y12-P33 WeakPolarHBondContact O-CD 3.29Å; Y12-P33 WeakPolarHBondContact O-CG 3.49Å; I31-P33 VanDerWaalsContact O-CD 3.32Å; I31-P33 WeakPolarHBondContact O-CD 3.46Å; P33-A52 HydrophobicContact CB-CB 4.13Å; P33-K54 WeakPolarHBondContact O-CE 3.21Å
34	E	95.2	Very high	95.3	Very high	119 Å²	119	52.1 Å²	52.1	56%	0.556	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-54.5	177.5	-175.6	176	-169.8	0	0	110.8	D32 K54	D32-E34 VanDerWaalsContact C-N 3.25Å; D32-E34 PolarHBondContact O-N 3.19Å; D32-E34 WeakPolarHBondContact OD1-CA 3.39Å; D32-E34 VanDerWaalsContact OD1-CB 3.31Å; D32-E34 WeakPolarHBondContact OD1-CB 3.39Å; D32-E34 PolarHBondContact OD1-N 2.89Å; E34-K54 WeakPolarHBondContact O-CE 3.29Å; E34-K54 PolarHBondContact O-NZ 3.09Å
35	T	95.8	Very high	95.3	Very high	99 Å²	99	57.2 Å²	57.2	61%	0.607	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-20.7	-173.7	66	0	0	0	0	113.7	D32 G37	D32-T35 WeakPolarHBondContact CB-OG1 3.49Å; D32-T35 PolarHBondContact OD1-N 2.87Å; D32-T35 WeakPolarHBondContact OD2-CB 3.16Å; D32-T35 VanDerWaalsContact OD2-CG2 3.26Å; D32-T35 WeakPolarHBondContact OD2-CG2 3.49Å; D32-T35 PolarHBondContact OD2-OG1 2.89Å; T35-G37 PolarHBondContact O-N 2.92Å; T35-G37 PolarHBondContact OG1-N 2.93Å; T35-G37 VanDerWaalsContact OG1-N 3.14Å
36	G	95.9	Very high	95.1	Very high	45 Å²	45	55.9 Å²	55.9	46%	0.464	32%	0.315	S	S	.	.			trans	75.4	5.5	-168.5	0	0	0	0	0	113.5	D32	D32-G36 WeakPolarHBondContact O-CA 3.49Å; D32-G36 PolarHBondContact O-N 3.44Å
37	G	96.6	Very high	95.1	Very high	36 Å²	36	57.6 Å²	57.6	37%	0.371	32%	0.322	S	S	.	.			trans	-60.2	138.4	175.7	0	0	0	0	0	111.2	I31 D32 T35	I31-G37 WeakPolarHBondContact CA-O 3.25Å; D32-G37 PolarHBondContact N-O 3.32Å; T35-G37 PolarHBondContact O-N 2.92Å; T35-G37 PolarHBondContact OG1-N 2.93Å; T35-G37 VanDerWaalsContact OG1-N 3.14Å
38	T	97.1	Very high	95.2	Very high	68 Å²	68	53.9 Å²	53.9	42%	0.417	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.7	179.1	54.1	0	0	0	0	111.6	A30 I31 Y40 L50	A30-T38 VanDerWaalsContact O-CA 3.31Å; A30-T38 WeakPolarHBondContact O-CA 3.45Å; I31-T38 HydrophobicContact CB-CG2 4.13Å; I31-T38 HydrophobicContact CD1-CG2 4.07Å; I31-T38 HydrophobicContact CG1-CG2 3.97Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.26Å; T38-L50 HydrophobicContact CG2-CB 4.14Å
39	A	95.8	Very high	95.2	Very high	46 Å²	46	56.6 Å²	56.6	38%	0.38	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.6	172.1	0	0	0	0	0	109.2	W27 G29 A30	W27-A39 HydrophobicContact CH2-CB 3.96Å; W27-A39 HydrophobicContact CZ2-CB 4.39Å; G29-A39 CarbonylContact C-O 3.43Å; G29-A39 WeakPolarHBondContact CA-O 3.4Å; A30-A39 PolarHBondContact N-O 2.82Å; A30-A39 PolarHBondContact O-N 3.25Å
40	Y	96.9	Very high	95.3	Very high	61 Å²	61	57 Å²	57	24%	0.239	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145	-177	-66.6	-88.3	0	0	0	110.9	T38 A48 L50	T38-Y40 WeakPolarHBondContact OG1-CE2 3.26Å; Y40-A48 HydrophobicContact CE1-CB 4.28Å; Y40-A48 VanDerWaalsContact CE1-O 3.25Å; Y40-A48 WeakPolarHBondContact CE1-O 3.34Å; Y40-L50 HydrophobicContact CE1-CD1 4.03Å; Y40-L50 HydrophobicContact CE1-CG 3.76Å; Y40-L50 PolarHBondContact OH-N 2.86Å; Y40-L50 VanDerWaalsContact OH-N 3.13Å
41	N	95.3	Very high	95.4	Very high	46 Å²	46	60.3 Å²	60.3	25%	0.246	34%	0.344	C	S	.	.			trans	-71.5	137.4	157.7	-179.8	-23.2	0	0	0	108.9	W27 I28 K43 F44 K45	W27-N41 HydrophobicContact CE3-CB 3.83Å; W27-N41 HydrophobicContact CZ3-CB 4.05Å; W27-N41 WeakPolarHBondContact O-CB 3.27Å; W27-N41 PolarHBondContact O-ND2 3.02Å; I28-N41 PolarHBondContact O-N 3.11Å; N41-K43 PolarHBondContact O-N 3.07Å; N41-K43 VanDerWaalsContact O-N 3.13Å; N41-K43 PolarHBondContact OD1-N 3.09Å; N41-K43 VanDerWaalsContact OD1-N 3.11Å; N41-F44 HydrophobicContact CB-CD2 4.03Å; N41-F44 PolarHBondContact O-N 2.87Å; N41-K45 PolarHBondContact O-N 3.13Å; N41-K45 VanDerWaalsContact O-N 3.07Å
42	Q	94.3	Very high	95.4	Very high	145 Å²	145	61.9 Å²	61.9	68%	0.678	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.3	-177.7	-63.9	-61	-23.6	0	0	112.9	F44 K45	Q42-F44 PolarHBondContact O-N 3.01Å; Q42-K45 PolarHBondContact O-N 2.81Å
43	K	91.1	Very high	95.5	Very high	140 Å²	140	63 Å²	63	61%	0.609	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.5	176.5	-70.5	-175.9	178	-173.6	0	113.8	E26 N41	E26-K43 IonicContact OE1-NZ 3.55Å; E26-K43 PolarHBondContact OE1-NZ 2.95Å; N41-K43 PolarHBondContact O-N 3.07Å; N41-K43 VanDerWaalsContact O-N 3.13Å; N41-K43 PolarHBondContact OD1-N 3.09Å; N41-K43 VanDerWaalsContact OD1-N 3.11Å
44	F	92.9	Very high	95.6	Very high	9 Å²	9	68.8 Å²	68.8	4%	0.039	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-5.3	-174.1	-62	-83.2	0	0	0	112.9	K18 E26 I28 N41 Q42 G46 K47 A48	K18-F44 HydrophobicContact CB-CZ 4.42Å; K18-F44 HydrophobicContact CD-CE1 4.05Å; K18-F44 HydrophobicContact CD-CZ 3.96Å; E26-F44 HydrophobicContact CB-CE2 4.43Å; E26-F44 HydrophobicContact CB-CZ 4.5Å; I28-F44 HydrophobicContact CB-CD2 4.28Å; I28-F44 HydrophobicContact CB-CG 4.23Å; I28-F44 HydrophobicContact CG1-CD1 4.17Å; I28-F44 HydrophobicContact CG1-CD2 4.23Å; I28-F44 HydrophobicContact CG1-CE1 4.09Å; I28-F44 HydrophobicContact CG1-CE2 4.13Å; I28-F44 HydrophobicContact CG1-CG 4.24Å; I28-F44 HydrophobicContact CG1-CZ 4.06Å; I28-F44 HydrophobicContact CG2-CB 3.78Å; I28-F44 HydrophobicContact CG2-CD1 4.09Å; I28-F44 HydrophobicContact CG2-CD2 4.35Å; I28-F44 HydrophobicContact CG2-CG 3.82Å; N41-F44 HydrophobicContact CB-CD2 4.03Å; N41-F44 PolarHBondContact O-N 2.87Å; Q42-F44 PolarHBondContact O-N 3.01Å; F44-G46 PolarHBondContact O-N 2.84Å; F44-K47 PolarHBondContact O-N 2.99Å; F44-A48 HydrophobicContact CB-CB 4.49Å; F44-A48 PolarHBondContact O-N 2.98Å
45	K	91.5	Very high	95.6	Very high	137 Å²	137	68.3 Å²	68.3	60%	0.596	40%	0.399	S	S	*	.	B	Isolated β-bridge	trans	-61.7	119.7	175.4	-167.8	174	-178	179.9	0	109.1	N41 Q42 K47	N41-K45 PolarHBondContact O-N 3.13Å; N41-K45 VanDerWaalsContact O-N 3.07Å; Q42-K45 PolarHBondContact O-N 2.81Å; K45-K47 VanDerWaalsContact C-N 3.33Å
46	G	91	Very high	95.6	Very high	72 Å²	72	65.3 Å²	65.3	74%	0.742	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-15.5	-175.5	0	0	0	0	0	115.3	F44	F44-G46 PolarHBondContact O-N 2.84Å
47	K	94.3	Very high	95.7	Very high	64 Å²	64	65 Å²	65	28%	0.278	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-39.8	169.6	-78.7	-167.7	169	-163.4	0	112.4	F44 K45 L63 R64 D70	F44-K47 PolarHBondContact O-N 2.99Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K47-L63 WeakPolarHBondContact O-CA 3Å; K47-R64 PolarHBondContact O-N 3.31Å; K47-D70 IonicContact NZ-OD1 2.89Å; K47-D70 IonicContact NZ-OD2 3.01Å; K47-D70 PolarHBondContact NZ-OD2 2.87Å
48	A	96.9	Very high	95.8	Very high	3 Å²	3	63.7 Å²	63.7	3%	0.025	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.6	-179.7	0	0	0	0	0	111.1	I28 Y40 F44 M61 E62 L63	I28-A48 HydrophobicContact CG2-CB 3.83Å; Y40-A48 HydrophobicContact CE1-CB 4.28Å; Y40-A48 VanDerWaalsContact CE1-O 3.25Å; Y40-A48 WeakPolarHBondContact CE1-O 3.34Å; F44-A48 HydrophobicContact CB-CB 4.49Å; F44-A48 PolarHBondContact O-N 2.98Å; A48-M61 HydrophobicContact CB-CG 4.42Å; A48-E62 CarbonylContact C-O 3.58Å; A48-E62 WeakPolarHBondContact CA-O 3.43Å; A48-L63 HydrophobicContact CB-CD2 3.96Å
49	I	97.9	Very high	95.8	Very high	58 Å²	58	60.4 Å²	60.4	30%	0.297	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.1	168.4	-59.7	169.9	0	0	0	107.2	T51 M61 E62	I49-T51 HydrophobicContact CG2-CG2 4.31Å; I49-M61 WeakPolarHBondContact O-CA 3.48Å; I49-E62 HydrophobicContact CB-CB 4.31Å; I49-E62 PolarHBondContact N-O 2.78Å; I49-E62 PolarHBondContact O-N 3.02Å
50	L	98.3	Very high	95.9	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.3	-179.6	-51.7	-176.4	0	0	0	110.1	W16 A30 I31 T38 Y40 Y60 M61	W16-L50 HydrophobicContact CG-CD2 4.2Å; A30-L50 WeakPolarHBondContact O-CD1 3.47Å; I31-L50 HydrophobicContact CB-CB 4.13Å; I31-L50 HydrophobicContact CG2-CB 4.46Å; T38-L50 HydrophobicContact CG2-CB 4.14Å; Y40-L50 HydrophobicContact CE1-CD1 4.03Å; Y40-L50 HydrophobicContact CE1-CG 3.76Å; Y40-L50 PolarHBondContact OH-N 2.86Å; Y40-L50 VanDerWaalsContact OH-N 3.13Å; L50-Y60 WeakPolarHBondContact CA-O 3.38Å; L50-M61 HydrophobicContact CD2-CB 3.7Å; L50-M61 HydrophobicContact CD2-CG 3.62Å; L50-M61 HydrophobicContact CD2-SD 4.15Å
51	T	98.3	Very high	96	Very high	73 Å²	73	60.9 Å²	60.9	45%	0.448	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	162	175.1	64.9	0	0	0	0	110.8	I31 I49 A59 Y60	I31-T51 VanDerWaalsContact CD1-CA 3.44Å; I49-T51 HydrophobicContact CG2-CG2 4.31Å; T51-A59 CarbonylContact O-C 3.58Å; T51-A59 WeakPolarHBondContact O-CA 3.48Å; T51-Y60 PolarHBondContact N-O 2.76Å; T51-Y60 PolarHBondContact O-N 2.02Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.32Å
52	A	98	Very high	96.1	Very high	37 Å²	37	63.2 Å²	63.2	31%	0.306	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139.9	179.1	0	0	0	0	0	110.3	F9 I31 P33	F9-A52 HydrophobicContact CE1-CB 4.2Å; F9-A52 HydrophobicContact CZ-CB 4.2Å; I31-A52 HydrophobicContact CD1-CB 3.8Å; I31-A52 HydrophobicContact CG1-CB 4.34Å; P33-A52 HydrophobicContact CB-CB 4.13Å
53	D	97.7	Very high	96.2	Very high	56 Å²	56	58.2 Å²	58.2	30%	0.299	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	110	171	173.2	13.4	0	0	0	109	S55 S56 S57 T58 Y60	D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 PolarHBondContact O-N 3.08Å; D53-S55 WeakPolarHBondContact OD1-CB 3.48Å; D53-S55 PolarHBondContact OD1-N 3.37Å; D53-S55 PolarHBondContact OD1-OG 2.88Å; D53-S55 PolarHBondContact OD2-OG 3.49Å; D53-S56 WeakPolarHBondContact CB-OG 3.25Å; D53-S56 VanDerWaalsContact OD2-CB 3.27Å; D53-S56 WeakPolarHBondContact OD2-CB 2.98Å; D53-S56 PolarHBondContact OD2-OG 3Å; D53-S57 PolarHBondContact O-N 2.83Å; D53-S57 VanDerWaalsContact O-N 3.08Å; D53-T58 PolarHBondContact N-O 2.98Å; D53-T58 PolarHBondContact O-N 3.41Å; D53-Y60 HydrophobicContact CB-CE2 4.03Å
54	K	95.9	Very high	96.4	Very high	122 Å²	122	57.4 Å²	57.4	53%	0.53	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-38.9	179.2	-64.6	176.2	176.3	178.6	0	111.7	T10 P33 E34 S56 S57	T10-K54 HydrophobicContact CG2-CD 4.42Å; T10-K54 HydrophobicContact CG2-CG 4.19Å; P33-K54 WeakPolarHBondContact O-CE 3.21Å; E34-K54 WeakPolarHBondContact O-CE 3.29Å; E34-K54 PolarHBondContact O-NZ 3.09Å; K54-S56 PolarHBondContact O-N 3.14Å; K54-S57 PolarHBondContact O-N 2.87Å
55	S	95.6	Very high	96.3	Very high	110 Å²	110	62.1 Å²	62.1	77%	0.769	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-38.8	-173.4	72.1	0	0	0	0	112.2	D53	D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 PolarHBondContact O-N 3.08Å; D53-S55 WeakPolarHBondContact OD1-CB 3.48Å; D53-S55 PolarHBondContact OD1-N 3.37Å; D53-S55 PolarHBondContact OD1-OG 2.88Å; D53-S55 PolarHBondContact OD2-OG 3.49Å
56	S	97.1	Very high	96.4	Very high	35 Å²	35	58.4 Å²	58.4	25%	0.245	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	0.3	177.3	65.3	0	0	0	0	113.8	D53 K54 T58	D53-S56 WeakPolarHBondContact CB-OG 3.25Å; D53-S56 VanDerWaalsContact OD2-CB 3.27Å; D53-S56 WeakPolarHBondContact OD2-CB 2.98Å; D53-S56 PolarHBondContact OD2-OG 3Å; K54-S56 PolarHBondContact O-N 3.14Å; S56-T58 PolarHBondContact O-N 3Å; S56-T58 PolarHBondContact O-OG1 3.19Å; S56-T58 WeakPolarHBondContact OG-CB 3.45Å; S56-T58 PolarHBondContact OG-OG1 3.49Å
57	S	97.1	Very high	96.5	Very high	38 Å²	38	58 Å²	58	27%	0.266	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	41.2	-173.4	-63.9	0	0	0	0	112.6	A4 F9 D53 K54	A4-S57 PolarHBondContact N-O 3.31Å; F9-S57 VanDerWaalsContact CD1-CA 3.47Å; D53-S57 PolarHBondContact O-N 2.83Å; D53-S57 VanDerWaalsContact O-N 3.08Å; K54-S57 PolarHBondContact O-N 2.87Å
58	T	98.2	Very high	96.4	Very high	9 Å²	9	58.5 Å²	58.5	6%	0.055	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.7	-172.1	-57.4	0	0	0	0	111.2	C2 K3 D53 S56 Y60	C2-T58 WeakPolarHBondContact O-CA 3.03Å; K3-T58 HydrophobicContact CB-CG2 4.47Å; D53-T58 PolarHBondContact N-O 2.98Å; D53-T58 PolarHBondContact O-N 3.41Å; S56-T58 PolarHBondContact O-N 3Å; S56-T58 PolarHBondContact O-OG1 3.19Å; S56-T58 WeakPolarHBondContact OG-CB 3.45Å; S56-T58 PolarHBondContact OG-OG1 3.49Å; T58-Y60 HydrophobicContact CG2-CD2 4.33Å; T58-Y60 HydrophobicContact CG2-CE1 3.86Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.42Å; T58-Y60 WeakPolarHBondContact O-CE2 3.41Å
59	A	98.1	Very high	96.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	150.6	168	0	0	0	0	0	111	S1 C2 F9 M14 W16 I31 T51	S1-A59 CarbonylContact C-O 3.56Å; S1-A59 VanDerWaalsContact CA-O 3.25Å; S1-A59 WeakPolarHBondContact CA-O 3.47Å; C2-A59 PolarHBondContact N-O 3.06Å; C2-A59 PolarHBondContact O-N 3.18Å; F9-A59 HydrophobicContact CE2-CB 4.37Å; F9-A59 HydrophobicContact CZ-CB 4Å; M14-A59 HydrophobicContact CB-CB 3.95Å; M14-A59 HydrophobicContact CG-CB 3.63Å; W16-A59 HydrophobicContact CZ2-CB 4.23Å; I31-A59 HydrophobicContact CG2-CB 4.38Å; T51-A59 CarbonylContact O-C 3.58Å; T51-A59 WeakPolarHBondContact O-CA 3.48Å
60	Y	98.4	Very high	95.9	Very high	88 Å²	88	63.5 Å²	63.5	35%	0.345	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.6	179.7	-56.5	-95.3	0	0	0	109.9	S1 L50 T51 D53 T58	S1-Y60 VanDerWaalsContact CB-CD1 3.45Å; L50-Y60 WeakPolarHBondContact CA-O 3.38Å; T51-Y60 PolarHBondContact N-O 2.76Å; T51-Y60 PolarHBondContact O-N 2.02Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.32Å; D53-Y60 HydrophobicContact CB-CE2 4.03Å; T58-Y60 HydrophobicContact CG2-CD2 4.33Å; T58-Y60 HydrophobicContact CG2-CE1 3.86Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.42Å; T58-Y60 WeakPolarHBondContact O-CE2 3.41Å
61	M	98.1	Very high	95.8	Very high	29 Å²	29	65 Å²	65	14%	0.143	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117	167.5	174.7	174.8	68.9	0	0	106.4	W16 I28 A48 I49 L50 L63 Y74	W16-M61 HydrophobicContact CB-CE 4.4Å; W16-M61 HydrophobicContact CB-SD 3.71Å; W16-M61 HydrophobicContact CD2-CB 3.67Å; W16-M61 HydrophobicContact CD2-CE 4.04Å; W16-M61 HydrophobicContact CD2-CG 4.41Å; W16-M61 HydrophobicContact CD2-SD 3.92Å; W16-M61 HydrophobicContact CE3-CB 4.01Å; W16-M61 HydrophobicContact CE3-CE 3.56Å; W16-M61 HydrophobicContact CE3-SD 4.08Å; W16-M61 HydrophobicContact CG-CB 4.15Å; W16-M61 HydrophobicContact CG-CE 4.42Å; W16-M61 HydrophobicContact CG-SD 3.78Å; W16-M61 HydrophobicContact CH2-CB 4.17Å; W16-M61 HydrophobicContact CZ2-CB 3.86Å; W16-M61 HydrophobicContact CZ3-CB 4.24Å; W16-M61 HydrophobicContact CZ3-CE 4.14Å; I28-M61 HydrophobicContact CD1-CE 3.97Å; I28-M61 HydrophobicContact CD1-SD 3.7Å; I28-M61 HydrophobicContact CG2-SD 3.93Å; A48-M61 HydrophobicContact CB-CG 4.42Å; I49-M61 WeakPolarHBondContact O-CA 3.48Å; L50-M61 HydrophobicContact CD2-CB 3.7Å; L50-M61 HydrophobicContact CD2-CG 3.62Å; L50-M61 HydrophobicContact CD2-SD 4.15Å; M61-L63 HydrophobicContact CE-CD1 4.11Å; M61-L63 HydrophobicContact CE-CD2 4.4Å; M61-L63 HydrophobicContact CE-CG 4.27Å; M61-L63 HydrophobicContact CG-CD2 4.19Å; M61-L63 HydrophobicContact CG-CG 4.24Å; M61-L63 HydrophobicContact SD-CD2 4.08Å; M61-L63 HydrophobicContact SD-CG 4.45Å; M61-Y74 HydrophobicContact CE-CD1 3.64Å; M61-Y74 HydrophobicContact CE-CE1 4.26Å; M61-Y74 HydrophobicContact CE-CG 4.36Å
62	E	97.8	Very high	95.7	Very high	94 Å²	94	62 Å²	62	44%	0.439	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.4	169.2	-172.7	-172.7	151.6	0	0	107.9	A48 I49 R64	A48-E62 CarbonylContact C-O 3.58Å; A48-E62 WeakPolarHBondContact CA-O 3.43Å; I49-E62 HydrophobicContact CB-CB 4.31Å; I49-E62 PolarHBondContact N-O 2.78Å; I49-E62 PolarHBondContact O-N 3.02Å; E62-R64 IonicContact OE1-CZ 3.2Å; E62-R64 IonicContact OE1-NE 2.79Å; E62-R64 PolarHBondContact OE1-NE 2.89Å; E62-R64 IonicContact OE1-NH2 2.81Å; E62-R64 PolarHBondContact OE1-NH2 2.89Å; E62-R64 IonicContact OE2-NH2 3.47Å; E62-R64 PolarHBondContact OE2-NH2 2.86Å
63	L	95.9	Very high	95.7	Very high	41 Å²	41	61.9 Å²	61.9	22%	0.215	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.2	175.4	-66.9	170.4	0	0	0	109.1	K47 A48 M61 L66 Y74	K47-L63 WeakPolarHBondContact O-CA 3Å; A48-L63 HydrophobicContact CB-CD2 3.96Å; M61-L63 HydrophobicContact CE-CD1 4.11Å; M61-L63 HydrophobicContact CE-CD2 4.4Å; M61-L63 HydrophobicContact CE-CG 4.27Å; M61-L63 HydrophobicContact CG-CD2 4.19Å; M61-L63 HydrophobicContact CG-CG 4.24Å; M61-L63 HydrophobicContact SD-CD2 4.08Å; M61-L63 HydrophobicContact SD-CG 4.45Å; L63-L66 HydrophobicContact CB-CD1 4.12Å; L63-L66 HydrophobicContact CB-CD2 3.73Å; L63-L66 HydrophobicContact CB-CG 4.1Å; L63-L66 HydrophobicContact CD1-CD2 4.21Å; L63-L66 HydrophobicContact CG-CD2 4.44Å; L63-Y74 HydrophobicContact CD1-CD1 4.22Å; L63-Y74 HydrophobicContact CD1-CE1 3.65Å; L63-Y74 HydrophobicContact CD1-CE2 4.44Å
64	R	94.9	Very high	95.7	Very high	123 Å²	123	59.8 Å²	59.8	46%	0.464	33%	0.326	S	S	.	.			trans	-118.3	153.6	-179.9	-65	-174.7	176	178.2	4.2	111.4	K47 E62 L66	K47-R64 PolarHBondContact O-N 3.31Å; E62-R64 IonicContact OE1-CZ 3.2Å; E62-R64 IonicContact OE1-NE 2.79Å; E62-R64 PolarHBondContact OE1-NE 2.89Å; E62-R64 IonicContact OE1-NH2 2.81Å; E62-R64 PolarHBondContact OE1-NH2 2.89Å; E62-R64 IonicContact OE2-NH2 3.47Å; E62-R64 PolarHBondContact OE2-NH2 2.86Å; R64-L66 VanDerWaalsContact C-N 3.28Å; R64-L66 PolarHBondContact O-N 2.88Å
65	S	91.9	Very high	95.8	Very high	108 Å²	108	56.1 Å²	56.1	76%	0.755	31%	0.309	S	S	*	.	S	Bend	trans	52.8	45.6	175.1	-52.7	0	0	0	0	112.9
66	L	92.6	Very high	95.9	Very high	59 Å²	59	51.6 Å²	51.6	31%	0.309	28%	0.277	S	S	.	.			trans	-67.3	140.9	-178.9	-68.8	-177.6	0	0	0	111.5	L63 R64 D70 V95 V97	L63-L66 HydrophobicContact CB-CD1 4.12Å; L63-L66 HydrophobicContact CB-CD2 3.73Å; L63-L66 HydrophobicContact CB-CG 4.1Å; L63-L66 HydrophobicContact CD1-CD2 4.21Å; L63-L66 HydrophobicContact CG-CD2 4.44Å; R64-L66 VanDerWaalsContact C-N 3.28Å; R64-L66 PolarHBondContact O-N 2.88Å; L66-D70 HydrophobicContact CB-CB 4.44Å; L66-D70 HydrophobicContact CD2-CB 3.66Å; L66-V95 HydrophobicContact CD1-CG1 4.39Å; L66-V97 HydrophobicContact CB-CG1 4.22Å; L66-V97 HydrophobicContact CB-CG2 3.95Å; L66-V97 HydrophobicContact CD1-CG2 4.02Å
67	T	93.6	Very high	95.8	Very high	62 Å²	62	50 Å²	50	38%	0.38	27%	0.266	S	S	.	.			trans	-115.7	173.5	171.8	66.2	0	0	0	0	110.6	E69 D70 V97	T67-E69 PolarHBondContact O-N 2.71Å; T67-D70 PolarHBondContact N-OD2 3.36Å; T67-D70 WeakPolarHBondContact O-CB 3.31Å; T67-D70 PolarHBondContact O-N 3.22Å; T67-V97 WeakPolarHBondContact O-CB 2.78Å; T67-V97 WeakPolarHBondContact O-CG1 3.43Å
68	S	93.3	Very high	95.5	Very high	76 Å²	76	49.3 Å²	49.3	53%	0.531	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-56.8	-31	177	53.1	0	0	0	0	113.3	D70 S71 V97	S68-D70 PolarHBondContact O-N 3.13Å; S68-S71 VanDerWaalsContact O-CB 3.3Å; S68-S71 WeakPolarHBondContact O-CB 3.25Å; S68-S71 PolarHBondContact O-N 2.86Å; S68-S71 VanDerWaalsContact O-N 3.09Å; S68-S71 PolarHBondContact O-OG 2.97Å; S68-V97 WeakPolarHBondContact CA-O 3.33Å
69	E	90.3	Very high	94.7	Very high	157 Å²	157	51.6 Å²	51.6	73%	0.734	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-65.9	-16.2	174.5	-60.1	-179.7	172.2	0	0	113.6	K18 T67 S71	K18-E69 PolarHBondContact NZ-O 2.95Å; T67-E69 PolarHBondContact O-N 2.71Å; E69-S71 VanDerWaalsContact C-N 3.29Å
70	D	92.9	Very high	93.4	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.043	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-83.9	-4	174.5	-66.3	-47.7	0	0	0	113.1	K18 K47 L66 T67 S68 A72 Y74	K18-D70 IonicContact NZ-OD1 3.3Å; K18-D70 PolarHBondContact NZ-OD1 3.1Å; K47-D70 IonicContact NZ-OD1 2.89Å; K47-D70 IonicContact NZ-OD2 3.01Å; K47-D70 PolarHBondContact NZ-OD2 2.87Å; L66-D70 HydrophobicContact CB-CB 4.44Å; L66-D70 HydrophobicContact CD2-CB 3.66Å; T67-D70 PolarHBondContact N-OD2 3.36Å; T67-D70 WeakPolarHBondContact O-CB 3.31Å; T67-D70 PolarHBondContact O-N 3.22Å; S68-D70 PolarHBondContact O-N 3.13Å; D70-A72 PolarHBondContact O-N 3.05Å; D70-Y74 WeakPolarHBondContact O-CE2 3.41Å; D70-Y74 PolarHBondContact O-OH 3.49Å
71	S	95.5	Very high	91.8	Very high	40 Å²	40	53.1 Å²	53.1	28%	0.28	29%	0.287	S	S	.	.			trans	-63.4	118	173	-60.2	0	0	0	0	111.4	S68 E69 V95 V97	S68-S71 VanDerWaalsContact O-CB 3.3Å; S68-S71 WeakPolarHBondContact O-CB 3.25Å; S68-S71 PolarHBondContact O-N 2.86Å; S68-S71 VanDerWaalsContact O-N 3.09Å; S68-S71 PolarHBondContact O-OG 2.97Å; E69-S71 VanDerWaalsContact C-N 3.29Å; S71-V95 VanDerWaalsContact CA-O 3.29Å; S71-V95 WeakPolarHBondContact CA-O 3.41Å; S71-V97 PolarHBondContact OG-N 2.74Å; S71-V97 PolarHBondContact OG-O 3.29Å
72	A	96.9	Very high	90.2	Very high	9 Å²	9	58.2 Å²	58.2	7%	0.074	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	171.7	-170.8	0	0	0	0	0	111.6	K18 Q19 T20 D70 Y74 V95	K18-A72 HydrophobicContact CD-CB 4.06Å; K18-A72 VanDerWaalsContact CE-CB 3.5Å; K18-A72 HydrophobicContact CG-CB 3.41Å; K18-A72 VanDerWaalsContact CG-CB 3.41Å; Q19-A72 VanDerWaalsContact O-CB 3.23Å; Q19-A72 WeakPolarHBondContact O-CB 3.46Å; T20-A72 HydrophobicContact CG2-CB 4.13Å; D70-A72 PolarHBondContact O-N 3.05Å; A72-Y74 HydrophobicContact CB-CD2 4.25Å; A72-Y74 HydrophobicContact CB-CE2 3.76Å; A72-V95 PolarHBondContact N-O 2.66Å; A72-V95 PolarHBondContact O-N 3.22Å
73	V	98.1	Very high	88.5	Confident	36 Å²	36	61.5 Å²	61.5	22%	0.218	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.1	162.9	-170	0	0	0	0	108.7	Q19 Y75	Q19-V73 HydrophobicContact CB-CB 4.48Å; Q19-V73 PolarHBondContact N-O 2.86Å; Q19-V73 PolarHBondContact O-N 3.2Å; Q19-V73 VanDerWaalsContact O-N 3.08Å; V73-Y75 HydrophobicContact CB-CE2 3.74Å; V73-Y75 HydrophobicContact CG1-CD2 4.26Å; V73-Y75 HydrophobicContact CG1-CE1 4.13Å; V73-Y75 HydrophobicContact CG1-CE2 3.49Å; V73-Y75 VanDerWaalsContact CG1-CE2 3.49Å; V73-Y75 VanDerWaalsContact CG1-CZ 3.41Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.24Å
74	Y	98.1	Very high	87.2	Confident	12 Å²	12	62 Å²	62	5%	0.047	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.6	-178.9	-72.2	-95	0	0	0	110.3	V17 K18 I28 M61 L63 D70 A72 G92 T93 V95	V17-Y74 WeakPolarHBondContact O-CA 3.48Å; K18-Y74 HydrophobicContact CB-CD1 4.26Å; K18-Y74 HydrophobicContact CB-CE1 4.01Å; K18-Y74 HydrophobicContact CD-CE1 4.26Å; K18-Y74 HydrophobicContact CG-CD1 4.41Å; K18-Y74 HydrophobicContact CG-CE1 3.9Å; I28-Y74 HydrophobicContact CD1-CD1 3.65Å; I28-Y74 HydrophobicContact CD1-CE1 3.69Å; M61-Y74 HydrophobicContact CE-CD1 3.64Å; M61-Y74 HydrophobicContact CE-CE1 4.26Å; M61-Y74 HydrophobicContact CE-CG 4.36Å; L63-Y74 HydrophobicContact CD1-CD1 4.22Å; L63-Y74 HydrophobicContact CD1-CE1 3.65Å; L63-Y74 HydrophobicContact CD1-CE2 4.44Å; D70-Y74 WeakPolarHBondContact O-CE2 3.41Å; D70-Y74 PolarHBondContact O-OH 3.49Å; A72-Y74 HydrophobicContact CB-CD2 4.25Å; A72-Y74 HydrophobicContact CB-CE2 3.76Å; Y74-G92 CarbonylContact O-C 3.51Å; Y74-G92 VanDerWaalsContact O-CA 3.27Å; Y74-G92 WeakPolarHBondContact O-CA 3.48Å; Y74-T93 PolarHBondContact N-O 3.22Å; Y74-T93 PolarHBondContact O-N 2.9Å; Y74-V95 HydrophobicContact CD2-CB 3.82Å; Y74-V95 HydrophobicContact CD2-CG2 3.61Å; Y74-V95 HydrophobicContact CE2-CB 3.73Å; Y74-V95 HydrophobicContact CE2-CG1 4.44Å; Y74-V95 HydrophobicContact CE2-CG2 3.97Å; Y74-V95 HydrophobicContact CG-CG2 4.48Å
75	Y	97.8	Very high	86.1	Confident	45 Å²	45	64.5 Å²	64.5	18%	0.176	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.7	-178.1	-61.7	-89.2	0	0	0	110.4	W16 V17 Q19 V73 W89 G90	W16-Y75 WeakPolarHBondContact CA-O 3.41Å; V17-Y75 PolarHBondContact N-O 3.24Å; V17-Y75 PolarHBondContact O-N 3.09Å; Q19-Y75 HydrophobicContact CB-CD2 4.25Å; Q19-Y75 HydrophobicContact CB-CE2 3.68Å; Q19-Y75 PolarHBondContact OE1-OH 3.17Å; Q19-Y75 VanDerWaalsContact OE1-OH 3.1Å; V73-Y75 HydrophobicContact CB-CE2 3.74Å; V73-Y75 HydrophobicContact CG1-CD2 4.26Å; V73-Y75 HydrophobicContact CG1-CE1 4.13Å; V73-Y75 HydrophobicContact CG1-CE2 3.49Å; V73-Y75 VanDerWaalsContact CG1-CE2 3.49Å; V73-Y75 VanDerWaalsContact CG1-CZ 3.41Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.24Å; Y75-W89 HydrophobicContact CD1-CE3 4.29Å; Y75-W89 HydrophobicContact CG-CE3 4.07Å; Y75-W89 HydrophobicContact CG-CZ3 4.23Å; Y75-G90 WeakPolarHBondContact CD1-O 3.27Å
76	C	96.8	Very high	85.7	Confident	15 Å²	15	63.1 Å²	63.1	10%	0.101	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	147.2	157.9	59.1	0	0	0	0	109.1	C2 M14 H15 W16 G90	C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.38Å; C2-C76 WeakPolarHBondContact SG-CB 3.47Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 2.77Å; M14-C76 HydrophobicContact CG-CB 4.48Å; M14-C76 HydrophobicContact SD-CB 3.81Å; H15-C76 CarbonylContact O-C 3.41Å; H15-C76 VanDerWaalsContact O-CA 3.25Å; H15-C76 WeakPolarHBondContact O-CA 3.32Å; W16-C76 HydrophobicContact CD2-CB 4.42Å; W16-C76 HydrophobicContact CE3-CB 4.07Å; W16-C76 HydrophobicContact CH2-CB 4.17Å; W16-C76 HydrophobicContact CZ2-CB 4.49Å; W16-C76 HydrophobicContact CZ3-CB 3.95Å; C76-G90 PolarHBondContact O-N 2.58Å
77	T	95.3	Very high	85.2	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.1	174.7	-178.8	0	0	0	0	111.1	H15 V17 F86 V88 W89	H15-T77 HydrophobicContact CB-CG2 3.83Å; H15-T77 WeakPolarHBondContact CB-O 3.47Å; H15-T77 PolarHBondContact N-O 2.79Å; H15-T77 PolarHBondContact O-N 2.82Å; V17-T77 HydrophobicContact CG2-CG2 4.23Å; T77-F86 HydrophobicContact CG2-CB 4.19Å; T77-F86 HydrophobicContact CG2-CD1 3.48Å; T77-F86 VanDerWaalsContact CG2-CD1 3.48Å; T77-F86 HydrophobicContact CG2-CD2 4.28Å; T77-F86 HydrophobicContact CG2-CE1 3.87Å; T77-F86 HydrophobicContact CG2-CG 3.73Å; T77-F86 HydrophobicContact CG2-CZ 4.4Å; T77-V88 CarbonylContact C-O 3.57Å; T77-V88 WeakPolarHBondContact CA-O 3.42Å; T77-V88 WeakPolarHBondContact CB-O 3.48Å; T77-V88 PolarHBondContact OG1-O 3.08Å; T77-W89 HydrophobicContact CG2-CD2 4.3Å; T77-W89 HydrophobicContact CG2-CE3 4.31Å; T77-W89 HydrophobicContact CG2-CH2 4.13Å; T77-W89 HydrophobicContact CG2-CZ2 4.11Å; T77-W89 HydrophobicContact CG2-CZ3 4.24Å
78	R	91.2	Very high	84.9	Confident	23 Å²	23	65 Å²	65	9%	0.087	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	141.7	172.1	-172	-175	75.5	179.3	-3.4	110.4	Y7 Y12 D87 V88	Y7-R78 VanDerWaalsContact CE2-CD 3.49Å; Y7-R78 HydrophobicContact CE2-CG 4.33Å; Y12-R78 HydrophobicContact CD1-CG 3.91Å; Y12-R78 HydrophobicContact CD2-CG 4.38Å; Y12-R78 HydrophobicContact CG-CG 3.66Å; R78-D87 IonicContact NH2-OD2 3.37Å; R78-D87 PolarHBondContact NH2-OD2 3.23Å; R78-D87 PolarHBondContact O-N 3.47Å; R78-V88 HydrophobicContact CB-CB 4.44Å; R78-V88 PolarHBondContact N-O 3.45Å
79	K	81.4	Confident	85	Confident	58 Å²	58	66.2 Å²	66.2	25%	0.252	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.7	167.8	-174.6	-174.6	173.7	-166.8	0	110.4	Y12 E13 H15 F86	Y12-K79 WeakPolarHBondContact CD1-O 3.2Å; E13-K79 PolarHBondContact O-N 3.37Å; H15-K79 VanDerWaalsContact CD2-CB 3.49Å; H15-K79 WeakPolarHBondContact CD2-CB 3.31Å; H15-K79 WeakPolarHBondContact NE2-CB 3.43Å; K79-F86 HydrophobicContact CB-CD1 3.98Å; K79-F86 HydrophobicContact CB-CE1 4.02Å; K79-F86 HydrophobicContact CD-CE1 4.46Å; K79-F86 HydrophobicContact CG-CD1 4.44Å; K79-F86 HydrophobicContact CG-CE1 4.42Å
80	I	70.3	Confident	85.2	Confident	39 Å²	39	60 Å²	60	20%	0.2	31%	0.312	C	S	.	.			trans	-89	110.2	167.8	-49.2	-177	0	0	0	107.5	Y12 N82 Y83 G84 Y85 D87	Y12-I80 HydrophobicContact CD1-CG1 4.19Å; Y12-I80 HydrophobicContact CE1-CB 4.3Å; Y12-I80 HydrophobicContact CE1-CD1 4.48Å; Y12-I80 HydrophobicContact CE1-CG1 3.81Å; Y12-I80 HydrophobicContact CE1-CG2 4.14Å; I80-N82 PolarHBondContact O-N 3.27Å; I80-N82 VanDerWaalsContact O-N 3.08Å; I80-Y83 HydrophobicContact CB-CD2 4.3Å; I80-Y83 HydrophobicContact CG2-CD2 3.7Å; I80-Y83 HydrophobicContact CG2-CE2 4.27Å; I80-Y83 PolarHBondContact O-N 2.81Å; I80-Y83 VanDerWaalsContact O-N 3.09Å; I80-G84 PolarHBondContact O-N 2.81Å; I80-Y85 PolarHBondContact N-O 3.14Å; I80-D87 HydrophobicContact CD1-CB 4.22Å; I80-D87 HydrophobicContact CG1-CB 4.32Å
81	S	64.4	Low	85.3	Confident	81 Å²	81	66.6 Å²	66.6	57%	0.566	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-36.1	-173.2	51	0	0	0	0	113.4	Y83	S81-Y83 PolarHBondContact O-N 3.47Å
82	N	64.4	Low	85.3	Confident	135 Å²	135	65.7 Å²	65.7	72%	0.722	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.7	-176.4	-63.7	-27.7	0	0	0	115.4	I80	I80-N82 PolarHBondContact O-N 3.27Å; I80-N82 VanDerWaalsContact O-N 3.08Å
83	Y	63.6	Low	85.4	Confident	164 Å²	164	69.7 Å²	69.7	64%	0.643	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-11.3	-171.2	-61	-74	0	0	0	114.5	I80 S81 Y85	I80-Y83 HydrophobicContact CB-CD2 4.3Å; I80-Y83 HydrophobicContact CG2-CD2 3.7Å; I80-Y83 HydrophobicContact CG2-CE2 4.27Å; I80-Y83 PolarHBondContact O-N 2.81Å; I80-Y83 VanDerWaalsContact O-N 3.09Å; S81-Y83 PolarHBondContact O-N 3.47Å; Y83-Y85 WeakPolarHBondContact O-CD2 3.26Å; Y83-Y85 WeakPolarHBondContact O-CE2 3.45Å; Y83-Y85 PolarHBondContact O-N 2.65Å
84	G	67.4	Low	85.4	Confident	51 Å²	51	72.7 Å²	72.7	53%	0.526	39%	0.391	S	S	.	.			trans	75.8	1	176.1	0	0	0	0	0	115.5	I80	I80-G84 PolarHBondContact O-N 2.81Å
85	Y	73.4	Confident	85.3	Confident	176 Å²	176	74.2 Å²	74.2	69%	0.69	40%	0.402	S	S	*	.			trans	-100.9	149	-178.3	-56.2	-70.8	0	0	0	113.1	I80 Y83	I80-Y85 PolarHBondContact N-O 3.14Å; Y83-Y85 WeakPolarHBondContact O-CD2 3.26Å; Y83-Y85 WeakPolarHBondContact O-CE2 3.45Å; Y83-Y85 PolarHBondContact O-N 2.65Å
86	F	82.9	Confident	85.2	Confident	79 Å²	79	77.6 Å²	77.6	35%	0.346	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.9	165.9	-66.3	-47.8	0	0	0	109.5	H15 T77 K79 W89	H15-F86 HydrophobicContact CB-CE1 3.75Å; H15-F86 HydrophobicContact CB-CZ 4.24Å; H15-F86 AromaticContact CD2-CE1 3.77Å; H15-F86 AromaticContact CG-CE1 3.42Å; H15-F86 VanDerWaalsContact CG-CE1 3.42Å; H15-F86 AromaticContact ND1-CE1 3.56Å; H15-F86 AromaticContact ND1-CZ 3.88Å; T77-F86 HydrophobicContact CG2-CB 4.19Å; T77-F86 HydrophobicContact CG2-CD1 3.48Å; T77-F86 VanDerWaalsContact CG2-CD1 3.48Å; T77-F86 HydrophobicContact CG2-CD2 4.28Å; T77-F86 HydrophobicContact CG2-CE1 3.87Å; T77-F86 HydrophobicContact CG2-CG 3.73Å; T77-F86 HydrophobicContact CG2-CZ 4.4Å; K79-F86 HydrophobicContact CB-CD1 3.98Å; K79-F86 HydrophobicContact CB-CE1 4.02Å; K79-F86 HydrophobicContact CD-CE1 4.46Å; K79-F86 HydrophobicContact CG-CD1 4.44Å; K79-F86 HydrophobicContact CG-CE1 4.42Å; F86-W89 HydrophobicContact CB-CZ2 3.82Å; F86-W89 HydrophobicContact CD2-CH2 4.33Å; F86-W89 AromaticContact CD2-CZ2 3.73Å; F86-W89 HydrophobicContact CD2-CZ2 3.73Å; F86-W89 HydrophobicContact CG-CZ2 4.01Å
87	D	81.7	Confident	85.1	Confident	94 Å²	94	78.2 Å²	78.2	50%	0.503	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-40.2	-166.6	-171.6	39.2	0	0	0	112.5	R78 I80	R78-D87 IonicContact NH2-OD2 3.37Å; R78-D87 PolarHBondContact NH2-OD2 3.23Å; R78-D87 PolarHBondContact O-N 3.47Å; I80-D87 HydrophobicContact CD1-CB 4.22Å; I80-D87 HydrophobicContact CG1-CB 4.32Å
88	V	87.7	Confident	84.9	Confident	67 Å²	67	83.3 Å²	83.3	41%	0.406	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.2	-178.4	-178.8	0	0	0	0	109.9	T77 R78	T77-V88 CarbonylContact C-O 3.57Å; T77-V88 WeakPolarHBondContact CA-O 3.42Å; T77-V88 WeakPolarHBondContact CB-O 3.48Å; T77-V88 PolarHBondContact OG1-O 3.08Å; R78-V88 HydrophobicContact CB-CB 4.44Å; R78-V88 PolarHBondContact N-O 3.45Å
89	W	93.9	Very high	84.4	Confident	101 Å²	101	90.9 Å²	90.9	38%	0.383	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.1	177.8	-68.9	75.1	0	0	0	111.1	V17 L25 Y75 T77 F86	V17-W89 HydrophobicContact CB-CH2 4.16Å; V17-W89 HydrophobicContact CB-CZ3 3.89Å; V17-W89 HydrophobicContact CG1-CH2 4.15Å; V17-W89 HydrophobicContact CG1-CZ3 4.12Å; V17-W89 HydrophobicContact CG2-CH2 3.83Å; V17-W89 HydrophobicContact CG2-CZ3 3.95Å; L25-W89 HydrophobicContact CD1-CH2 4.16Å; Y75-W89 HydrophobicContact CD1-CE3 4.29Å; Y75-W89 HydrophobicContact CG-CE3 4.07Å; Y75-W89 HydrophobicContact CG-CZ3 4.23Å; T77-W89 HydrophobicContact CG2-CD2 4.3Å; T77-W89 HydrophobicContact CG2-CE3 4.31Å; T77-W89 HydrophobicContact CG2-CH2 4.13Å; T77-W89 HydrophobicContact CG2-CZ2 4.11Å; T77-W89 HydrophobicContact CG2-CZ3 4.24Å; F86-W89 HydrophobicContact CB-CZ2 3.82Å; F86-W89 HydrophobicContact CD2-CH2 4.33Å; F86-W89 AromaticContact CD2-CZ2 3.73Å; F86-W89 HydrophobicContact CD2-CZ2 3.73Å; F86-W89 HydrophobicContact CG-CZ2 4.01Å
90	G	94.8	Very high	84.5	Confident	27 Å²	27	92.5 Å²	92.5	28%	0.278	54%	0.536	S	S	.	.			trans	-66.5	163.1	163.3	0	0	0	0	0	111.1	Y75 C76 G92	Y75-G90 WeakPolarHBondContact CD1-O 3.27Å; C76-G90 PolarHBondContact O-N 2.58Å; G90-G92 PolarHBondContact O-N 3.46Å; G90-G92 VanDerWaalsContact O-N 3.09Å
91	T	95.5	Very high	85.3	Confident	146 Å²	146	95.3 Å²	95.3	90%	0.896	55%	0.554	S	S	*	*			trans	-64.6	-14.8	179.8	54.3	0	0	0	0	113.9
92	G	96.6	Very high	86.4	Confident	20 Å²	20	96.1 Å²	96.1	21%	0.206	55%	0.553	C	S	.	*			trans	84.3	150.6	-173.9	0	0	0	0	0	112.5	Y74 G90	Y74-G92 CarbonylContact O-C 3.51Å; Y74-G92 VanDerWaalsContact O-CA 3.27Å; Y74-G92 WeakPolarHBondContact O-CA 3.48Å; G90-G92 PolarHBondContact O-N 3.46Å; G90-G92 VanDerWaalsContact O-N 3.09Å
93	T	97.6	Very high	87.7	Confident	94 Å²	94	93.8 Å²	93.8	58%	0.577	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.2	175	-63	0	0	0	0	109.2	Y74	Y74-T93 PolarHBondContact N-O 3.22Å; Y74-T93 PolarHBondContact O-N 2.9Å
94	T	97.5	Very high	89.2	Confident	98 Å²	98	89.4 Å²	89.4	60%	0.601	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	128	174.4	-58.5	0	0	0	0	109.6
95	V	96.3	Very high	90.7	Very high	45 Å²	45	92 Å²	92	27%	0.273	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.9	169.1	178.6	0	0	0	0	107.3	L66 S71 A72 Y74 V97	L66-V95 HydrophobicContact CD1-CG1 4.39Å; S71-V95 VanDerWaalsContact CA-O 3.29Å; S71-V95 WeakPolarHBondContact CA-O 3.41Å; A72-V95 PolarHBondContact N-O 2.66Å; A72-V95 PolarHBondContact O-N 3.22Å; Y74-V95 HydrophobicContact CD2-CB 3.82Å; Y74-V95 HydrophobicContact CD2-CG2 3.61Å; Y74-V95 HydrophobicContact CE2-CB 3.73Å; Y74-V95 HydrophobicContact CE2-CG1 4.44Å; Y74-V95 HydrophobicContact CE2-CG2 3.97Å; Y74-V95 HydrophobicContact CG-CG2 4.48Å; V95-V97 HydrophobicContact CG1-CG2 4.22Å
96	T	95.9	Very high	91.9	Very high	115 Å²	115	86 Å²	86	71%	0.706	53%	0.526	S	S	*	.			trans	-120.5	129.9	177.6	-54.8	0	0	0	0	108.8
97	V	94.4	Very high	92.6	Very high	29 Å²	29	86.5 Å²	86.5	18%	0.176	54%	0.54	C	S	.	.			trans	-123.2	115.8	-179.4	-173.5	0	0	0	0	107.1	L66 T67 S68 S71 V95	L66-V97 HydrophobicContact CB-CG1 4.22Å; L66-V97 HydrophobicContact CB-CG2 3.95Å; L66-V97 HydrophobicContact CD1-CG2 4.02Å; T67-V97 WeakPolarHBondContact O-CB 2.78Å; T67-V97 WeakPolarHBondContact O-CG1 3.43Å; S68-V97 WeakPolarHBondContact CA-O 3.33Å; S71-V97 PolarHBondContact OG-N 2.74Å; S71-V97 PolarHBondContact OG-O 3.29Å; V95-V97 HydrophobicContact CG1-CG2 4.22Å
98	S	91.2	Very high	93.5	Very high	107 Å²	107	85.9 Å²	85.9	75%	0.748	54%	0.543	S	S	*	.			trans	-106	149.3	174.3	56.6	0	0	0	0	110.2
99	S	80.7	Confident	94	Very high	182 Å²	182	87.6 Å²	87.6	100%	1.273	56%	0.556	S	S	*	*			trans	-69.3	0	170.5	56.4	0	0	0	0	112.6

Retrieved 99 of 99 residues in 23 ms (Link to these results)

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