X5J5F0_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5F0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 101 aa.

						>X5J5F0_MOUSE|X5J5F0
SCKASGYTFTSYGITWVKQRTGQGLEWIGEIYPRSGNTYYNEKFKGKATLTADKSSSTAYMELRSLTSEDSAVYFCNEEGYDSDEGHFDYWGQGTTLTVSS
					

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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	95.6	Very high	87.9	Confident	106 Å²	106	64.8 Å²	64.8	74%	0.741	42%	0.42	S	S	*	.				0	159.3	0	49.2	0	0	0	0	108.9	A59	S1-A59 CarbonylContact C-O 3.55Å; S1-A59 VanDerWaalsContact CA-O 3.28Å; S1-A59 WeakPolarHBondContact CA-O 3.45Å
2	C	94.6	Very high	87.6	Confident	13 Å²	13	64.7 Å²	64.7	9%	0.088	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	113.2	178.5	-176.3	0	0	0	0	107.8	W16 T58 A59 C76	C2-W16 HydrophobicContact CB-CH2 3.55Å; C2-W16 HydrophobicContact CB-CZ2 3.79Å; C2-W16 HydrophobicContact CB-CZ3 4.37Å; C2-T58 CarbonylContact O-C 3.5Å; C2-T58 WeakPolarHBondContact O-CA 3.5Å; C2-T58 WeakPolarHBondContact O-CG2 3.3Å; C2-A59 PolarHBondContact N-O 2.87Å; C2-A59 PolarHBondContact O-N 2.93Å; C2-C76 HydrophobicContact CB-CB 3.5Å; C2-C76 WeakPolarHBondContact CB-SG 3.04Å; C2-C76 WeakPolarHBondContact SG-CB 3.29Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 3.04Å
3	K	93.6	Very high	87.8	Confident	154 Å²	154	59.7 Å²	59.7	67%	0.67	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.7	-178.5	-179.2	172.2	-178	-179.9	0	109.4	T58	K3-T58 HydrophobicContact CB-CG2 4.4Å
4	A	89.4	Confident	88.2	Confident	9 Å²	9	55.5 Å²	55.5	7%	0.074	35%	0.348	C	S	.	.			trans	-70.8	146	174.7	0	0	0	0	0	111.7	Y7 F9 S57	A4-Y7 WeakPolarHBondContact CA-OH 3.2Å; A4-Y7 HydrophobicContact CB-CE1 3.91Å; A4-Y7 HydrophobicContact CB-CE2 3.86Å; A4-Y7 WeakPolarHBondContact CB-OH 3.42Å; A4-F9 HydrophobicContact CB-CB 4.1Å; A4-F9 HydrophobicContact CB-CD2 3.45Å; A4-F9 VanDerWaalsContact CB-CD2 3.45Å; A4-F9 HydrophobicContact CB-CE2 4.2Å; A4-F9 HydrophobicContact CB-CG 4.12Å; A4-S57 WeakPolarHBondContact CB-O 3.33Å; A4-S57 PolarHBondContact N-O 3.41Å
5	S	85.6	Confident	88.6	Confident	100 Å²	100	51.9 Å²	51.9	70%	0.699	33%	0.325	S	S	*	.			trans	-148.3	136.9	173.2	61.6	0	0	0	0	111.1	Y7	S5-Y7 VanDerWaalsContact O-CD1 3.28Å; S5-Y7 WeakPolarHBondContact O-CD1 3.09Å
6	G	81.2	Confident	89.1	Confident	92 Å²	92	49.4 Å²	49.4	95%	0.948	31%	0.307	S	S	*	.	S	Bend	trans	90.5	2.2	173.3	0	0	0	0	0	115.6
7	Y	76.3	Confident	89.5	Confident	48 Å²	48	47 Å²	47	19%	0.188	29%	0.293	C	S	.	.	S	Bend	trans	-151.9	171.7	179.9	62.9	-88.1	0	0	0	112.3	A4 S5 F9 Y12 E78	A4-Y7 WeakPolarHBondContact CA-OH 3.2Å; A4-Y7 HydrophobicContact CB-CE1 3.91Å; A4-Y7 HydrophobicContact CB-CE2 3.86Å; A4-Y7 WeakPolarHBondContact CB-OH 3.42Å; S5-Y7 VanDerWaalsContact O-CD1 3.28Å; S5-Y7 WeakPolarHBondContact O-CD1 3.09Å; Y7-F9 PolarHBondContact O-N 2.92Å; Y7-Y12 AromaticContact CD2-CD2 3.3Å; Y7-Y12 HydrophobicContact CD2-CD2 3.3Å; Y7-Y12 AromaticContact CD2-CE2 3.63Å; Y7-Y12 HydrophobicContact CD2-CE2 3.63Å; Y7-Y12 HydrophobicContact CD2-CG 4.11Å; Y7-Y12 AromaticContact CE2-CD2 3.73Å; Y7-Y12 HydrophobicContact CE2-CD2 3.73Å; Y7-Y12 HydrophobicContact CE2-CE2 4.45Å; Y7-Y12 HydrophobicContact CE2-CG 4.14Å; Y7-Y12 HydrophobicContact CG-CD2 4.17Å; Y7-Y12 HydrophobicContact CG-CE2 4.08Å; Y7-E78 HydrophobicContact CE1-CG 4.45Å; Y7-E78 WeakPolarHBondContact CE1-OE1 3.46Å; Y7-E78 WeakPolarHBondContact CE1-OE2 3.45Å; Y7-E78 WeakPolarHBondContact OH-CG 3.49Å; Y7-E78 PolarHBondContact OH-OE1 3.39Å; Y7-E78 PolarHBondContact OH-OE2 3.01Å
8	T	86.2	Confident	89.8	Confident	85 Å²	85	44.6 Å²	44.6	52%	0.521	28%	0.277	S	S	.	.			trans	-75.4	102.3	174.8	-58.8	0	0	0	0	109.7	T10 S11	T8-T10 WeakPolarHBondContact CG2-OG1 3.32Å; T8-T10 PolarHBondContact O-N 3.19Å; T8-S11 WeakPolarHBondContact CB-OG 3.4Å; T8-S11 WeakPolarHBondContact CG2-OG 3.15Å; T8-S11 WeakPolarHBondContact O-CB 3.38Å; T8-S11 PolarHBondContact O-N 2.78Å
9	F	88.7	Confident	90.1	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.026	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-49.9	-32.9	-177.5	178.5	-121.7	0	0	0	114.8	A4 Y7 S11 I14 P33 A52 A59	A4-F9 HydrophobicContact CB-CB 4.1Å; A4-F9 HydrophobicContact CB-CD2 3.45Å; A4-F9 VanDerWaalsContact CB-CD2 3.45Å; A4-F9 HydrophobicContact CB-CE2 4.2Å; A4-F9 HydrophobicContact CB-CG 4.12Å; Y7-F9 PolarHBondContact O-N 2.92Å; F9-S11 PolarHBondContact O-N 2.82Å; F9-I14 HydrophobicContact CD2-CD1 4.28Å; F9-I14 HydrophobicContact CE2-CD1 3.92Å; F9-I14 HydrophobicContact CE2-CG1 3.76Å; F9-I14 HydrophobicContact CZ-CG1 4.45Å; F9-P33 HydrophobicContact CD1-CB 3.9Å; F9-P33 HydrophobicContact CD1-CG 4.23Å; F9-P33 HydrophobicContact CD2-CG 4.28Å; F9-P33 HydrophobicContact CE1-CB 3.58Å; F9-P33 HydrophobicContact CE1-CG 3.8Å; F9-P33 HydrophobicContact CE2-CG 3.88Å; F9-P33 HydrophobicContact CG-CG 4.48Å; F9-P33 HydrophobicContact CZ-CB 3.94Å; F9-P33 HydrophobicContact CZ-CG 3.61Å; F9-A52 HydrophobicContact CE1-CB 4.12Å; F9-A52 HydrophobicContact CZ-CB 4.08Å; F9-A59 HydrophobicContact CE2-CB 4.32Å; F9-A59 HydrophobicContact CZ-CB 4.08Å
10	T	89.4	Confident	90.3	Very high	47 Å²	47	46.9 Å²	46.9	29%	0.288	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-81.7	2.4	178.4	57.1	0	0	0	0	114.2	T8 R34 K54 Y81	T8-T10 WeakPolarHBondContact CG2-OG1 3.32Å; T8-T10 PolarHBondContact O-N 3.19Å; T10-R34 WeakPolarHBondContact O-CB 3.28Å; T10-K54 HydrophobicContact CG2-CD 4.49Å; T10-K54 HydrophobicContact CG2-CG 4.29Å; T10-Y81 WeakPolarHBondContact O-CE2 3.34Å
11	S	86.2	Confident	90	Very high	53 Å²	53	51.8 Å²	51.8	37%	0.371	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-103.9	8.7	178.3	-59.5	0	0	0	0	113	T8 F9 Y81	T8-S11 WeakPolarHBondContact CB-OG 3.4Å; T8-S11 WeakPolarHBondContact CG2-OG 3.15Å; T8-S11 WeakPolarHBondContact O-CB 3.38Å; T8-S11 PolarHBondContact O-N 2.78Å; F9-S11 PolarHBondContact O-N 2.82Å; S11-Y81 WeakPolarHBondContact O-CD2 3.45Å
12	Y	84.8	Confident	89.7	Confident	63 Å²	63	50.8 Å²	50.8	25%	0.247	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147	179.5	-65.3	-96.2	0	0	0	110.4	Y7 P33 E79 G80	Y7-Y12 AromaticContact CD2-CD2 3.3Å; Y7-Y12 HydrophobicContact CD2-CD2 3.3Å; Y7-Y12 AromaticContact CD2-CE2 3.63Å; Y7-Y12 HydrophobicContact CD2-CE2 3.63Å; Y7-Y12 HydrophobicContact CD2-CG 4.11Å; Y7-Y12 AromaticContact CE2-CD2 3.73Å; Y7-Y12 HydrophobicContact CE2-CD2 3.73Å; Y7-Y12 HydrophobicContact CE2-CE2 4.45Å; Y7-Y12 HydrophobicContact CE2-CG 4.14Å; Y7-Y12 HydrophobicContact CG-CD2 4.17Å; Y7-Y12 HydrophobicContact CG-CE2 4.08Å; Y12-P33 WeakPolarHBondContact O-CD 3.23Å; Y12-E79 CarbonylContact C-O 3.51Å; Y12-E79 WeakPolarHBondContact CA-O 3.16Å; Y12-G80 VanDerWaalsContact CD1-CA 3.42Å
13	G	89.9	Confident	89.4	Confident	0 Å²	0	55 Å²	55	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	144.9	161.2	0	0	0	0	0	110.9	E30 Y32 E78 E79	G13-E30 VanDerWaalsContact CA-OE1 3.29Å; G13-E30 WeakPolarHBondContact CA-OE1 3.33Å; G13-Y32 VanDerWaalsContact CA-CD1 3.46Å; G13-E78 WeakPolarHBondContact O-CA 3.4Å; G13-E79 PolarHBondContact N-O 3.22Å; G13-E79 PolarHBondContact O-N 2.77Å
14	I	93.2	Very high	89.3	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	108.5	176.5	-51.5	-61.9	0	0	0	108.2	F9 E30 I31 P33 A59 C76 N77 E78	F9-I14 HydrophobicContact CD2-CD1 4.28Å; F9-I14 HydrophobicContact CE2-CD1 3.92Å; F9-I14 HydrophobicContact CE2-CG1 3.76Å; F9-I14 HydrophobicContact CZ-CG1 4.45Å; I14-E30 WeakPolarHBondContact O-CA 3.11Å; I14-I31 HydrophobicContact CB-CG2 4.07Å; I14-I31 PolarHBondContact N-O 2.94Å; I14-I31 PolarHBondContact O-N 3.33Å; I14-P33 HydrophobicContact CG1-CG 4.06Å; I14-A59 HydrophobicContact CB-CB 4.07Å; I14-A59 HydrophobicContact CG1-CB 4.07Å; I14-A59 HydrophobicContact CG2-CB 3.78Å; I14-C76 HydrophobicContact CG2-CB 4.29Å; I14-N77 WeakPolarHBondContact CA-O 2.99Å; I14-E78 HydrophobicContact CD1-CG 3.92Å
15	T	94.5	Very high	89.5	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139	-179.2	-86.4	0	0	0	0	110.1	V17 W27 E30 C76 N77 F88	T15-V17 HydrophobicContact CG2-CG1 3.98Å; T15-W27 VanDerWaalsContact CG2-CD1 3.43Å; T15-E30 WeakPolarHBondContact OG1-CB 3.49Å; T15-E30 VanDerWaalsContact OG1-CG 3.24Å; T15-E30 WeakPolarHBondContact OG1-CG 3.05Å; T15-C76 CarbonylContact O-C 3.52Å; T15-C76 VanDerWaalsContact O-CA 3.23Å; T15-C76 WeakPolarHBondContact O-CA 3.06Å; T15-N77 WeakPolarHBondContact CB-OD1 3.34Å; T15-N77 WeakPolarHBondContact CG2-OD1 3.29Å; T15-N77 PolarHBondContact N-O 3.04Å; T15-N77 PolarHBondContact O-N 2.82Å; T15-N77 PolarHBondContact O-OD1 2.81Å; T15-F88 HydrophobicContact CG2-CE1 4.2Å
16	W	96.2	Very high	89.9	Confident	12 Å²	12	51 Å²	51	5%	0.045	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.6	178.1	-66.1	87.8	0	0	0	110	C2 I28 G29 L50 A59 M61 F75 C76	C2-W16 HydrophobicContact CB-CH2 3.55Å; C2-W16 HydrophobicContact CB-CZ2 3.79Å; C2-W16 HydrophobicContact CB-CZ3 4.37Å; W16-I28 HydrophobicContact CB-CB 4.18Å; W16-I28 HydrophobicContact CB-CD1 4.47Å; W16-I28 WeakPolarHBondContact O-CB 3.26Å; W16-I28 PolarHBondContact O-N 2.83Å; W16-G29 PolarHBondContact N-O 3.42Å; W16-L50 HydrophobicContact CG-CD2 4.18Å; W16-A59 HydrophobicContact CZ2-CB 4.22Å; W16-M61 HydrophobicContact CB-SD 3.92Å; W16-M61 HydrophobicContact CD2-CB 3.75Å; W16-M61 HydrophobicContact CD2-CE 4.32Å; W16-M61 HydrophobicContact CD2-SD 4.08Å; W16-M61 HydrophobicContact CE3-CB 3.98Å; W16-M61 HydrophobicContact CE3-CE 3.78Å; W16-M61 HydrophobicContact CE3-SD 4.15Å; W16-M61 HydrophobicContact CG-CB 4.27Å; W16-M61 HydrophobicContact CG-SD 4.01Å; W16-M61 HydrophobicContact CH2-CB 4.18Å; W16-M61 HydrophobicContact CZ2-CB 3.97Å; W16-M61 HydrophobicContact CZ3-CB 4.19Å; W16-M61 HydrophobicContact CZ3-CE 4.31Å; W16-F75 WeakPolarHBondContact CA-O 2.92Å; W16-C76 HydrophobicContact CD2-CB 4.28Å; W16-C76 HydrophobicContact CE3-CB 4.01Å; W16-C76 HydrophobicContact CH2-CB 4.2Å; W16-C76 HydrophobicContact CZ2-CB 4.44Å; W16-C76 HydrophobicContact CZ3-CB 3.98Å
17	V	95.8	Very high	90.5	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.055	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.5	177	-53.3	0	0	0	0	110.2	T15 L25 E26 Y74 F75 W91	T15-V17 HydrophobicContact CG2-CG1 3.98Å; V17-L25 HydrophobicContact CG2-CD2 4.14Å; V17-E26 CarbonylContact C-O 3.46Å; V17-E26 VanDerWaalsContact CA-O 3.3Å; V17-E26 WeakPolarHBondContact CA-O 3.46Å; V17-Y74 WeakPolarHBondContact O-CA 3.42Å; V17-F75 HydrophobicContact CG2-CB 3.76Å; V17-F75 HydrophobicContact CG2-CD2 4.21Å; V17-F75 HydrophobicContact CG2-CG 4.4Å; V17-F75 PolarHBondContact N-O 2.7Å; V17-F75 PolarHBondContact O-N 3.4Å; V17-W91 HydrophobicContact CG2-CH2 3.81Å; V17-W91 HydrophobicContact CG2-CZ3 3.45Å; V17-W91 VanDerWaalsContact CG2-CZ3 3.45Å
18	K	95.2	Very high	91.5	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.017	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.3	168.1	71.4	175	-154.3	-175.3	0	111.7	E26 I28 F44 D70 A72 V73 Y74	K18-E26 WeakPolarHBondContact CE-OE1 3.3Å; K18-E26 HydrophobicContact CG-CB 3.9Å; K18-E26 PolarHBondContact N-O 3.3Å; K18-E26 IonicContact NZ-OE1 2.8Å; K18-E26 PolarHBondContact O-N 3.14Å; K18-I28 HydrophobicContact CB-CD1 4.09Å; K18-I28 HydrophobicContact CG-CD1 4.45Å; K18-F44 HydrophobicContact CD-CE1 3.84Å; K18-F44 HydrophobicContact CD-CZ 3.67Å; K18-F44 HydrophobicContact CG-CZ 4.14Å; K18-D70 IonicContact NZ-OD1 3.18Å; K18-A72 HydrophobicContact CB-CB 4.11Å; K18-A72 HydrophobicContact CD-CB 4.3Å; K18-V73 CarbonylContact C-O 3.59Å; K18-V73 VanDerWaalsContact CA-O 3.32Å; K18-V73 WeakPolarHBondContact CA-O 3.48Å; K18-Y74 HydrophobicContact CB-CD1 3.77Å; K18-Y74 HydrophobicContact CB-CE1 3.75Å; K18-Y74 HydrophobicContact CB-CG 4.28Å; K18-Y74 HydrophobicContact CD-CE1 4.18Å
19	Q	95.6	Very high	91.9	Very high	81 Å²	81	44.8 Å²	44.8	38%	0.379	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	118.1	172.9	-163.9	-179.9	19.9	0	0	109.6	L25 A72 V73 F75	Q19-L25 HydrophobicContact CB-CD2 3.91Å; Q19-L25 HydrophobicContact CG-CD2 4.16Å; Q19-A72 WeakPolarHBondContact O-CA 3.33Å; Q19-A72 WeakPolarHBondContact O-CB 3.11Å; Q19-V73 PolarHBondContact N-O 3.3Å; Q19-V73 PolarHBondContact O-N 3.4Å; Q19-F75 HydrophobicContact CB-CE2 3.8Å
20	R	93.4	Very high	92.2	Very high	54 Å²	54	45 Å²	45	20%	0.204	26%	0.261	C	S	.	.			trans	-85.9	146.9	168.1	-72.6	172.6	175.1	164.2	-1.5	109.5	G22 Q23 E26 E69 A72	R20-G22 PolarHBondContact O-N 2.83Å; R20-Q23 HydrophobicContact CB-CB 4.03Å; R20-Q23 HydrophobicContact CB-CG 4.1Å; R20-Q23 PolarHBondContact O-N 2.83Å; R20-E26 IonicContact NH1-OE1 3.98Å; R20-E69 PolarHBondContact NE-O 3.39Å; R20-E69 PolarHBondContact NH2-O 2.86Å; R20-A72 HydrophobicContact CG-CB 4.03Å
21	T	85.4	Confident	92.5	Very high	149 Å²	149	43 Å²	43	91%	0.914	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	123.5	176.6	-50.6	0	0	0	0	110.3	Q23	T21-Q23 VanDerWaalsContact C-N 3.28Å; T21-Q23 PolarHBondContact O-N 3.01Å
22	G	87.8	Confident	92.9	Very high	86 Å²	86	42.9 Å²	42.9	89%	0.887	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	5.9	-178.4	0	0	0	0	0	115.5	R20	R20-G22 PolarHBondContact O-N 2.83Å
23	Q	89.9	Confident	93.3	Very high	100 Å²	100	40 Å²	40	47%	0.467	23%	0.23	S	C	.	.	S	Bend	trans	-117.1	162.8	173.8	-56.6	-175.6	11.9	0	0	110.9	R20 T21	R20-Q23 HydrophobicContact CB-CB 4.03Å; R20-Q23 HydrophobicContact CB-CG 4.1Å; R20-Q23 PolarHBondContact O-N 2.83Å; T21-Q23 VanDerWaalsContact C-N 3.28Å; T21-Q23 PolarHBondContact O-N 3.01Å
24	G	90.4	Very high	93.5	Very high	54 Å²	54	48.8 Å²	48.8	56%	0.557	26%	0.263	S	S	*	.			trans	-69.9	177.9	174.1	0	0	0	0	0	113.1
25	L	92.9	Very high	93.5	Very high	95 Å²	95	52 Å²	52	50%	0.497	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.4	171.5	-65.4	168.9	0	0	0	110	V17 Q19 W91	V17-L25 HydrophobicContact CG2-CD2 4.14Å; Q19-L25 HydrophobicContact CB-CD2 3.91Å; Q19-L25 HydrophobicContact CG-CD2 4.16Å; L25-W91 HydrophobicContact CD1-CH2 3.82Å; L25-W91 HydrophobicContact CD1-CZ3 4.39Å
26	E	94.6	Very high	93.4	Very high	31 Å²	31	54.1 Å²	54.1	15%	0.145	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.7	173	-66.5	-170.6	-98.9	0	0	109.3	V17 K18 R20 K43	V17-E26 CarbonylContact C-O 3.46Å; V17-E26 VanDerWaalsContact CA-O 3.3Å; V17-E26 WeakPolarHBondContact CA-O 3.46Å; K18-E26 WeakPolarHBondContact CE-OE1 3.3Å; K18-E26 HydrophobicContact CG-CB 3.9Å; K18-E26 PolarHBondContact N-O 3.3Å; K18-E26 IonicContact NZ-OE1 2.8Å; K18-E26 PolarHBondContact O-N 3.14Å; R20-E26 IonicContact NH1-OE1 3.98Å; E26-K43 IonicContact OE2-NZ 3.23Å
27	W	94.7	Very high	93.4	Very high	94 Å²	94	57.3 Å²	57.3	36%	0.356	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.3	174.2	-179	79.1	0	0	0	111.1	T15 G29 E30 N41	T15-W27 VanDerWaalsContact CG2-CD1 3.43Å; W27-G29 VanDerWaalsContact CZ2-CA 3.42Å; W27-E30 HydrophobicContact CZ2-CB 4.2Å; W27-N41 HydrophobicContact CE3-CB 3.59Å; W27-N41 HydrophobicContact CZ3-CB 3.77Å; W27-N41 VanDerWaalsContact O-CB 3.23Å; W27-N41 WeakPolarHBondContact O-CB 3.4Å; W27-N41 PolarHBondContact O-ND2 2.82Å
28	I	96.3	Very high	93.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-48.8	-179.2	-63	172.2	0	0	0	110.1	W16 K18 N41 F44 A48 M61 Y74	W16-I28 HydrophobicContact CB-CB 4.18Å; W16-I28 HydrophobicContact CB-CD1 4.47Å; W16-I28 WeakPolarHBondContact O-CB 3.26Å; W16-I28 PolarHBondContact O-N 2.83Å; K18-I28 HydrophobicContact CB-CD1 4.09Å; K18-I28 HydrophobicContact CG-CD1 4.45Å; I28-N41 PolarHBondContact O-N 2.82Å; I28-F44 HydrophobicContact CB-CD2 4.34Å; I28-F44 HydrophobicContact CB-CG 4.26Å; I28-F44 HydrophobicContact CD1-CE1 4.49Å; I28-F44 HydrophobicContact CG1-CD1 4.1Å; I28-F44 HydrophobicContact CG1-CD2 4.24Å; I28-F44 HydrophobicContact CG1-CE1 3.96Å; I28-F44 HydrophobicContact CG1-CE2 4.08Å; I28-F44 HydrophobicContact CG1-CG 4.23Å; I28-F44 HydrophobicContact CG1-CZ 3.93Å; I28-F44 HydrophobicContact CG2-CB 3.84Å; I28-F44 HydrophobicContact CG2-CD1 4.04Å; I28-F44 HydrophobicContact CG2-CD2 4.38Å; I28-F44 HydrophobicContact CG2-CG 3.83Å; I28-A48 HydrophobicContact CG2-CB 3.85Å; I28-M61 HydrophobicContact CD1-CE 4.03Å; I28-M61 HydrophobicContact CD1-SD 3.75Å; I28-M61 HydrophobicContact CG2-SD 3.87Å; I28-Y74 HydrophobicContact CD1-CD1 3.62Å; I28-Y74 HydrophobicContact CD1-CE1 3.64Å
29	G	95.7	Very high	93.4	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	174.1	-172.5	0	0	0	0	0	112	W16 W27 Y39	W16-G29 PolarHBondContact N-O 3.42Å; W27-G29 VanDerWaalsContact CZ2-CA 3.42Å; G29-Y39 CarbonylContact C-O 3.57Å; G29-Y39 WeakPolarHBondContact CA-O 3.24Å
30	E	95.1	Very high	93.4	Very high	11 Å²	11	63.9 Å²	63.9	5%	0.051	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.1	-179.7	-174.6	-179.7	-170.6	0	0	110.2	G13 I14 T15 W27 Y32 T38 Y39	G13-E30 VanDerWaalsContact CA-OE1 3.29Å; G13-E30 WeakPolarHBondContact CA-OE1 3.33Å; I14-E30 WeakPolarHBondContact O-CA 3.11Å; T15-E30 WeakPolarHBondContact OG1-CB 3.49Å; T15-E30 VanDerWaalsContact OG1-CG 3.24Å; T15-E30 WeakPolarHBondContact OG1-CG 3.05Å; W27-E30 HydrophobicContact CZ2-CB 4.2Å; E30-Y32 HydrophobicContact CG-CE1 4.47Å; E30-Y32 WeakPolarHBondContact OE1-CE1 3.37Å; E30-Y32 PolarHBondContact OE1-OH 3.06Å; E30-Y32 PolarHBondContact OE2-OH 3.18Å; E30-T38 CarbonylContact O-C 3.41Å; E30-T38 VanDerWaalsContact O-CA 3.29Å; E30-T38 WeakPolarHBondContact O-CA 3.23Å; E30-Y39 PolarHBondContact N-O 2.78Å; E30-Y39 PolarHBondContact O-N 2.9Å
31	I	95.5	Very high	93.5	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.026	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.9	167.9	-176.1	166.4	0	0	0	110.8	I14 P33 N37 T38 L50 T51 A52 A59	I14-I31 HydrophobicContact CB-CG2 4.07Å; I14-I31 PolarHBondContact N-O 2.94Å; I14-I31 PolarHBondContact O-N 3.33Å; I31-P33 WeakPolarHBondContact O-CD 3.1Å; I31-N37 WeakPolarHBondContact CA-O 2.89Å; I31-T38 HydrophobicContact CB-CG2 3.98Å; I31-T38 HydrophobicContact CD1-CG2 3.88Å; I31-T38 HydrophobicContact CG1-CG2 3.79Å; I31-L50 HydrophobicContact CB-CB 4.11Å; I31-L50 HydrophobicContact CG2-CB 4.45Å; I31-T51 VanDerWaalsContact CD1-C 3.41Å; I31-A52 HydrophobicContact CD1-CB 3.77Å; I31-A52 HydrophobicContact CG1-CB 4.44Å; I31-A59 HydrophobicContact CG2-CB 4.3Å
32	Y	93.9	Very high	93.9	Very high	50 Å²	50	62.4 Å²	62.4	20%	0.196	34%	0.339	C	S	.	.			trans	-96.6	103	171.8	-71.2	-55.8	0	0	0	109.9	G13 E30 R34 S35 G36 N37 Y39 Y81	G13-Y32 VanDerWaalsContact CA-CD1 3.46Å; E30-Y32 HydrophobicContact CG-CE1 4.47Å; E30-Y32 WeakPolarHBondContact OE1-CE1 3.37Å; E30-Y32 PolarHBondContact OE1-OH 3.06Å; E30-Y32 PolarHBondContact OE2-OH 3.18Å; Y32-R34 PolarHBondContact O-N 3.21Å; Y32-R34 VanDerWaalsContact O-N 3.15Å; Y32-S35 WeakPolarHBondContact CB-OG 2.97Å; Y32-S35 PolarHBondContact O-N 2.92Å; Y32-G36 WeakPolarHBondContact O-CA 3Å; Y32-G36 PolarHBondContact O-N 3.06Å; Y32-N37 HydrophobicContact CD2-CB 4.18Å; Y32-N37 PolarHBondContact N-O 2.95Å; Y32-Y39 HydrophobicContact CD2-CD2 4.01Å; Y32-Y39 AromaticContact CD2-CE2 3.64Å; Y32-Y39 HydrophobicContact CD2-CE2 3.64Å; Y32-Y39 AromaticContact CE2-CD2 3.68Å; Y32-Y39 HydrophobicContact CE2-CD2 3.68Å; Y32-Y39 AromaticContact CE2-CE2 3.4Å; Y32-Y39 HydrophobicContact CE2-CE2 3.4Å; Y32-Y81 WeakPolarHBondContact CA-OH 3.46Å; Y32-Y81 WeakPolarHBondContact CB-OH 3.5Å; Y32-Y81 HydrophobicContact CD1-CD1 4.22Å; Y32-Y81 AromaticContact CD1-CE1 3.1Å; Y32-Y81 HydrophobicContact CD1-CE1 3.1Å; Y32-Y81 AromaticContact CD1-CZ 3.39Å; Y32-Y81 WeakPolarHBondContact CD1-OH 3.43Å; Y32-Y81 HydrophobicContact CE1-CD1 4.13Å; Y32-Y81 AromaticContact CE1-CE1 3.4Å; Y32-Y81 HydrophobicContact CE1-CE1 3.4Å; Y32-Y81 VanDerWaalsContact CE1-CE1 3.4Å; Y32-Y81 AromaticContact CG-CE1 3.88Å; Y32-Y81 HydrophobicContact CG-CE1 3.88Å
33	P	94.1	Very high	94.1	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.013	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.1	-173.1	-23.6	36.2	0	0	0	112.7	F9 Y12 I14 I31 A52 K54	F9-P33 HydrophobicContact CD1-CB 3.9Å; F9-P33 HydrophobicContact CD1-CG 4.23Å; F9-P33 HydrophobicContact CD2-CG 4.28Å; F9-P33 HydrophobicContact CE1-CB 3.58Å; F9-P33 HydrophobicContact CE1-CG 3.8Å; F9-P33 HydrophobicContact CE2-CG 3.88Å; F9-P33 HydrophobicContact CG-CG 4.48Å; F9-P33 HydrophobicContact CZ-CB 3.94Å; F9-P33 HydrophobicContact CZ-CG 3.61Å; Y12-P33 WeakPolarHBondContact O-CD 3.23Å; I14-P33 HydrophobicContact CG1-CG 4.06Å; I31-P33 WeakPolarHBondContact O-CD 3.1Å; P33-A52 HydrophobicContact CB-CB 4.08Å; P33-A52 HydrophobicContact CG-CB 4.35Å; P33-K54 WeakPolarHBondContact O-CE 3.46Å; P33-K54 PolarHBondContact O-NZ 2.02Å
34	R	92.4	Very high	94.2	Very high	186 Å²	186	60.7 Å²	60.7	70%	0.702	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-57.8	178.5	-170	172.9	175.1	177.9	-1.5	112.2	T10 Y32 K54	T10-R34 WeakPolarHBondContact O-CB 3.28Å; Y32-R34 PolarHBondContact O-N 3.21Å; Y32-R34 VanDerWaalsContact O-N 3.15Å; R34-K54 PolarHBondContact O-NZ 2.93Å
35	S	93.5	Very high	94.3	Very high	68 Å²	68	64 Å²	64	48%	0.476	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-24.2	-174.8	54.9	0	0	0	0	113.4	Y32 N37	Y32-S35 WeakPolarHBondContact CB-OG 2.97Å; Y32-S35 PolarHBondContact O-N 2.92Å; S35-N37 WeakPolarHBondContact OG-CB 3.16Å; S35-N37 PolarHBondContact OG-N 2.86Å
36	G	93.6	Very high	94.1	Very high	45 Å²	45	63.1 Å²	63.1	46%	0.464	32%	0.318	S	S	.	.			trans	78.3	6.4	-168.8	0	0	0	0	0	113.5	Y32	Y32-G36 WeakPolarHBondContact O-CA 3Å; Y32-G36 PolarHBondContact O-N 3.06Å
37	N	94.9	Very high	94.1	Very high	79 Å²	79	64.6 Å²	64.6	42%	0.422	32%	0.324	S	S	.	.			trans	-65.6	140.5	177.7	-69.2	-6.6	0	0	0	110.1	I31 Y32 S35 Y39	I31-N37 WeakPolarHBondContact CA-O 2.89Å; Y32-N37 HydrophobicContact CD2-CB 4.18Å; Y32-N37 PolarHBondContact N-O 2.95Å; S35-N37 WeakPolarHBondContact OG-CB 3.16Å; S35-N37 PolarHBondContact OG-N 2.86Å; N37-Y39 HydrophobicContact CB-CE2 4.02Å
38	T	96.4	Very high	94.2	Very high	53 Å²	53	60.2 Å²	60.2	33%	0.325	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.2	177.8	51.8	0	0	0	0	110.3	E30 I31 Y40 L50	E30-T38 CarbonylContact O-C 3.41Å; E30-T38 VanDerWaalsContact O-CA 3.29Å; E30-T38 WeakPolarHBondContact O-CA 3.23Å; I31-T38 HydrophobicContact CB-CG2 3.98Å; I31-T38 HydrophobicContact CD1-CG2 3.88Å; I31-T38 HydrophobicContact CG1-CG2 3.79Å; T38-Y40 WeakPolarHBondContact OG1-CE2 2.97Å; T38-L50 HydrophobicContact CG2-CB 4Å
39	Y	95.3	Very high	94.3	Very high	120 Å²	120	63 Å²	63	47%	0.471	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.9	176.2	-63.1	-92.8	0	0	0	108.1	G29 E30 Y32 N37	G29-Y39 CarbonylContact C-O 3.57Å; G29-Y39 WeakPolarHBondContact CA-O 3.24Å; E30-Y39 PolarHBondContact N-O 2.78Å; E30-Y39 PolarHBondContact O-N 2.9Å; Y32-Y39 HydrophobicContact CD2-CD2 4.01Å; Y32-Y39 AromaticContact CD2-CE2 3.64Å; Y32-Y39 HydrophobicContact CD2-CE2 3.64Å; Y32-Y39 AromaticContact CE2-CD2 3.68Å; Y32-Y39 HydrophobicContact CE2-CD2 3.68Å; Y32-Y39 AromaticContact CE2-CE2 3.4Å; Y32-Y39 HydrophobicContact CE2-CE2 3.4Å; N37-Y39 HydrophobicContact CB-CE2 4.02Å
40	Y	96.3	Very high	94.4	Very high	59 Å²	59	63.4 Å²	63.4	23%	0.231	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.9	-174.8	-65.1	-90.4	0	0	0	110.3	T38 A48 L50	T38-Y40 WeakPolarHBondContact OG1-CE2 2.97Å; Y40-A48 HydrophobicContact CE1-CB 4.35Å; Y40-A48 WeakPolarHBondContact CE1-O 3.5Å; Y40-L50 HydrophobicContact CE1-CD1 4.09Å; Y40-L50 HydrophobicContact CE1-CG 3.72Å; Y40-L50 PolarHBondContact OH-N 2.55Å
41	N	95.1	Very high	94.5	Very high	42 Å²	42	66.3 Å²	66.3	23%	0.225	35%	0.346	C	S	.	.			trans	-71	133.8	157.8	-176.8	-29.8	0	0	0	108.3	W27 I28 K43 F44 K45	W27-N41 HydrophobicContact CE3-CB 3.59Å; W27-N41 HydrophobicContact CZ3-CB 3.77Å; W27-N41 VanDerWaalsContact O-CB 3.23Å; W27-N41 WeakPolarHBondContact O-CB 3.4Å; W27-N41 PolarHBondContact O-ND2 2.82Å; I28-N41 PolarHBondContact O-N 2.82Å; N41-K43 PolarHBondContact O-N 2.81Å; N41-K43 PolarHBondContact OD1-N 2.89Å; N41-F44 HydrophobicContact CB-CD2 3.94Å; N41-F44 PolarHBondContact O-N 2.98Å; N41-K45 PolarHBondContact O-N 2.88Å; N41-K45 VanDerWaalsContact O-N 3.15Å
42	E	93.9	Very high	94.6	Very high	131 Å²	131	67.8 Å²	67.8	61%	0.612	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-30	-179.3	-69.1	-61.6	142.6	0	0	112.8	F44 K45	E42-F44 PolarHBondContact O-N 2.86Å; E42-K45 PolarHBondContact O-N 3.27Å; E42-K45 IonicContact OE1-NZ 2.74Å; E42-K45 PolarHBondContact OE1-NZ 3.14Å; E42-K45 WeakPolarHBondContact OE2-CD 3.48Å; E42-K45 IonicContact OE2-NZ 3.93Å; E42-K45 PolarHBondContact OE2-NZ 3.26Å
43	K	91.6	Very high	94.7	Very high	143 Å²	143	68.1 Å²	68.1	62%	0.622	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.1	174.7	-67.7	-175.4	-178.4	179.7	0	114.3	E26 N41	E26-K43 IonicContact OE2-NZ 3.23Å; N41-K43 PolarHBondContact O-N 2.81Å; N41-K43 PolarHBondContact OD1-N 2.89Å
44	F	92.9	Very high	94.7	Very high	7 Å²	7	73.8 Å²	73.8	3%	0.031	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-5.4	-174.6	-64.6	-86.3	0	0	0	112.9	K18 I28 N41 E42 G46 K47 A48	K18-F44 HydrophobicContact CD-CE1 3.84Å; K18-F44 HydrophobicContact CD-CZ 3.67Å; K18-F44 HydrophobicContact CG-CZ 4.14Å; I28-F44 HydrophobicContact CB-CD2 4.34Å; I28-F44 HydrophobicContact CB-CG 4.26Å; I28-F44 HydrophobicContact CD1-CE1 4.49Å; I28-F44 HydrophobicContact CG1-CD1 4.1Å; I28-F44 HydrophobicContact CG1-CD2 4.24Å; I28-F44 HydrophobicContact CG1-CE1 3.96Å; I28-F44 HydrophobicContact CG1-CE2 4.08Å; I28-F44 HydrophobicContact CG1-CG 4.23Å; I28-F44 HydrophobicContact CG1-CZ 3.93Å; I28-F44 HydrophobicContact CG2-CB 3.84Å; I28-F44 HydrophobicContact CG2-CD1 4.04Å; I28-F44 HydrophobicContact CG2-CD2 4.38Å; I28-F44 HydrophobicContact CG2-CG 3.83Å; N41-F44 HydrophobicContact CB-CD2 3.94Å; N41-F44 PolarHBondContact O-N 2.98Å; E42-F44 PolarHBondContact O-N 2.86Å; F44-G46 PolarHBondContact O-N 2.87Å; F44-K47 PolarHBondContact O-N 2.88Å; F44-A48 HydrophobicContact CB-CB 4.36Å; F44-A48 PolarHBondContact O-N 3.3Å
45	K	90.9	Very high	94.7	Very high	123 Å²	123	70.1 Å²	70.1	54%	0.535	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-60.1	121.5	174	-159.3	174.7	-168.7	171.3	0	109.4	N41 E42 K47	N41-K45 PolarHBondContact O-N 2.88Å; N41-K45 VanDerWaalsContact O-N 3.15Å; E42-K45 PolarHBondContact O-N 3.27Å; E42-K45 IonicContact OE1-NZ 2.74Å; E42-K45 PolarHBondContact OE1-NZ 3.14Å; E42-K45 WeakPolarHBondContact OE2-CD 3.48Å; E42-K45 IonicContact OE2-NZ 3.93Å; E42-K45 PolarHBondContact OE2-NZ 3.26Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 3.04Å
46	G	90.4	Very high	94.8	Very high	76 Å²	76	68.6 Å²	68.6	78%	0.784	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-14	-174.9	0	0	0	0	0	115.4	F44	F44-G46 PolarHBondContact O-N 2.87Å
47	K	93.8	Very high	94.8	Very high	62 Å²	62	68.4 Å²	68.4	27%	0.27	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-41.1	169.1	-75.7	-167.9	169.6	-161.1	0	112.3	F44 K45 L63 R64 D70	F44-K47 PolarHBondContact O-N 2.88Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 3.04Å; K47-L63 WeakPolarHBondContact O-CA 3.28Å; K47-R64 PolarHBondContact O-N 2.91Å; K47-D70 IonicContact NZ-OD1 3.22Å; K47-D70 PolarHBondContact NZ-OD1 2.85Å; K47-D70 IonicContact NZ-OD2 2.77Å; K47-D70 PolarHBondContact NZ-OD2 2.92Å
48	A	96.6	Very high	94.9	Very high	3 Å²	3	65.1 Å²	65.1	3%	0.025	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.6	-179.6	0	0	0	0	0	111	I28 Y40 F44 M61 E62 L63	I28-A48 HydrophobicContact CG2-CB 3.85Å; Y40-A48 HydrophobicContact CE1-CB 4.35Å; Y40-A48 WeakPolarHBondContact CE1-O 3.5Å; F44-A48 HydrophobicContact CB-CB 4.36Å; F44-A48 PolarHBondContact O-N 3.3Å; A48-M61 HydrophobicContact CB-CG 4.42Å; A48-E62 CarbonylContact C-O 3.48Å; A48-E62 WeakPolarHBondContact CA-O 3.38Å; A48-L63 HydrophobicContact CB-CD2 3.92Å
49	T	97.8	Very high	94.9	Very high	58 Å²	58	62.6 Å²	62.6	36%	0.356	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.9	166.9	-61.8	0	0	0	0	108.4	T51 M61 E62	T49-T51 HydrophobicContact CG2-CG2 4.31Å; T49-M61 WeakPolarHBondContact O-CA 3.49Å; T49-E62 PolarHBondContact N-O 2.8Å; T49-E62 PolarHBondContact O-N 3.23Å
50	L	97.8	Very high	95	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.042	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.8	-179.6	-52.3	-176.9	0	0	0	110.4	W16 I31 T38 Y40 Y60 M61	W16-L50 HydrophobicContact CG-CD2 4.18Å; I31-L50 HydrophobicContact CB-CB 4.11Å; I31-L50 HydrophobicContact CG2-CB 4.45Å; T38-L50 HydrophobicContact CG2-CB 4Å; Y40-L50 HydrophobicContact CE1-CD1 4.09Å; Y40-L50 HydrophobicContact CE1-CG 3.72Å; Y40-L50 PolarHBondContact OH-N 2.55Å; L50-Y60 WeakPolarHBondContact CA-O 3.41Å; L50-M61 HydrophobicContact CD2-CB 3.69Å; L50-M61 HydrophobicContact CD2-CG 3.6Å; L50-M61 HydrophobicContact CD2-SD 4.18Å
51	T	97.8	Very high	95.1	Very high	72 Å²	72	59.7 Å²	59.7	44%	0.442	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	162.6	176.1	64.9	0	0	0	0	111	I31 T49 A59 Y60	I31-T51 VanDerWaalsContact CD1-C 3.41Å; T49-T51 HydrophobicContact CG2-CG2 4.31Å; T51-A59 CarbonylContact O-C 3.59Å; T51-A59 WeakPolarHBondContact O-CA 2.97Å; T51-Y60 PolarHBondContact N-O 3.27Å; T51-Y60 PolarHBondContact O-N 3.45Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.33Å
52	A	97	Very high	95.2	Very high	36 Å²	36	62 Å²	62	30%	0.298	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	134.9	179.2	0	0	0	0	0	110.7	F9 I31 P33	F9-A52 HydrophobicContact CE1-CB 4.12Å; F9-A52 HydrophobicContact CZ-CB 4.08Å; I31-A52 HydrophobicContact CD1-CB 3.77Å; I31-A52 HydrophobicContact CG1-CB 4.44Å; P33-A52 HydrophobicContact CB-CB 4.08Å; P33-A52 HydrophobicContact CG-CB 4.35Å
53	D	96.2	Very high	95.3	Very high	58 Å²	58	57.5 Å²	57.5	31%	0.31	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110	170	175.3	11.5	0	0	0	109.3	S55 S56 S57 T58 Y60	D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 VanDerWaalsContact CG-OG 3.31Å; D53-S55 PolarHBondContact O-N 3.32Å; D53-S55 WeakPolarHBondContact OD1-CB 3.23Å; D53-S55 PolarHBondContact OD1-N 2.92Å; D53-S55 PolarHBondContact OD1-OG 2.87Å; D53-S55 PolarHBondContact OD2-OG 2.8Å; D53-S56 WeakPolarHBondContact CB-OG 3.36Å; D53-S56 VanDerWaalsContact OD2-CB 3.29Å; D53-S56 WeakPolarHBondContact OD2-CB 3.24Å; D53-S56 PolarHBondContact OD2-OG 2.87Å; D53-S57 WeakPolarHBondContact O-CA 2.99Å; D53-S57 PolarHBondContact O-N 3.32Å; D53-T58 PolarHBondContact N-O 3.03Å; D53-T58 PolarHBondContact O-N 2.91Å; D53-Y60 HydrophobicContact CB-CE2 3.97Å
54	K	93.9	Very high	95.4	Very high	120 Å²	120	57.4 Å²	57.4	52%	0.522	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-33	-179.9	-62.4	175.1	176.4	-179.4	0	112	T10 P33 R34 S57	T10-K54 HydrophobicContact CG2-CD 4.49Å; T10-K54 HydrophobicContact CG2-CG 4.29Å; P33-K54 WeakPolarHBondContact O-CE 3.46Å; P33-K54 PolarHBondContact O-NZ 2.02Å; R34-K54 PolarHBondContact O-NZ 2.93Å; K54-S57 PolarHBondContact O-N 2.88Å
55	S	93.4	Very high	95.3	Very high	109 Å²	109	62.2 Å²	62.2	76%	0.762	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-39.5	-175.6	71.9	0	0	0	0	111.9	D53	D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 VanDerWaalsContact CG-OG 3.31Å; D53-S55 PolarHBondContact O-N 3.32Å; D53-S55 WeakPolarHBondContact OD1-CB 3.23Å; D53-S55 PolarHBondContact OD1-N 2.92Å; D53-S55 PolarHBondContact OD1-OG 2.87Å; D53-S55 PolarHBondContact OD2-OG 2.8Å
56	S	95.2	Very high	95.4	Very high	37 Å²	37	59 Å²	59	26%	0.259	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-0.3	176.4	64	0	0	0	0	113.8	D53 T58	D53-S56 WeakPolarHBondContact CB-OG 3.36Å; D53-S56 VanDerWaalsContact OD2-CB 3.29Å; D53-S56 WeakPolarHBondContact OD2-CB 3.24Å; D53-S56 PolarHBondContact OD2-OG 2.87Å; S56-T58 PolarHBondContact O-N 3.05Å; S56-T58 PolarHBondContact O-OG1 3.06Å; S56-T58 WeakPolarHBondContact OG-CB 3.39Å; S56-T58 PolarHBondContact OG-OG1 3.15Å
57	S	93.9	Very high	95.5	Very high	40 Å²	40	58.3 Å²	58.3	28%	0.28	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	44.2	-174.2	-62.1	0	0	0	0	112.2	A4 D53 K54	A4-S57 WeakPolarHBondContact CB-O 3.33Å; A4-S57 PolarHBondContact N-O 3.41Å; D53-S57 WeakPolarHBondContact O-CA 2.99Å; D53-S57 PolarHBondContact O-N 3.32Å; K54-S57 PolarHBondContact O-N 2.88Å
58	T	96.2	Very high	95.5	Very high	10 Å²	10	59 Å²	59	6%	0.061	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.7	-173.1	-57.1	0	0	0	0	110.8	C2 K3 D53 S56 Y60	C2-T58 CarbonylContact O-C 3.5Å; C2-T58 WeakPolarHBondContact O-CA 3.5Å; C2-T58 WeakPolarHBondContact O-CG2 3.3Å; K3-T58 HydrophobicContact CB-CG2 4.4Å; D53-T58 PolarHBondContact N-O 3.03Å; D53-T58 PolarHBondContact O-N 2.91Å; S56-T58 PolarHBondContact O-N 3.05Å; S56-T58 PolarHBondContact O-OG1 3.06Å; S56-T58 WeakPolarHBondContact OG-CB 3.39Å; S56-T58 PolarHBondContact OG-OG1 3.15Å; T58-Y60 HydrophobicContact CG2-CD1 4.47Å; T58-Y60 HydrophobicContact CG2-CD2 4.31Å; T58-Y60 HydrophobicContact CG2-CE1 3.84Å; T58-Y60 HydrophobicContact CG2-CE2 3.65Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.28Å; T58-Y60 WeakPolarHBondContact O-CE2 3.18Å
59	A	96.7	Very high	95.2	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	150.4	168.6	0	0	0	0	0	110.7	S1 C2 F9 I14 W16 I31 T51	S1-A59 CarbonylContact C-O 3.55Å; S1-A59 VanDerWaalsContact CA-O 3.28Å; S1-A59 WeakPolarHBondContact CA-O 3.45Å; C2-A59 PolarHBondContact N-O 2.87Å; C2-A59 PolarHBondContact O-N 2.93Å; F9-A59 HydrophobicContact CE2-CB 4.32Å; F9-A59 HydrophobicContact CZ-CB 4.08Å; I14-A59 HydrophobicContact CB-CB 4.07Å; I14-A59 HydrophobicContact CG1-CB 4.07Å; I14-A59 HydrophobicContact CG2-CB 3.78Å; W16-A59 HydrophobicContact CZ2-CB 4.22Å; I31-A59 HydrophobicContact CG2-CB 4.3Å; T51-A59 CarbonylContact O-C 3.59Å; T51-A59 WeakPolarHBondContact O-CA 2.97Å
60	Y	97.8	Very high	94.9	Very high	89 Å²	89	62.8 Å²	62.8	35%	0.349	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.1	-179	-57.7	-94.5	0	0	0	109.6	L50 T51 D53 T58	L50-Y60 WeakPolarHBondContact CA-O 3.41Å; T51-Y60 PolarHBondContact N-O 3.27Å; T51-Y60 PolarHBondContact O-N 3.45Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.33Å; D53-Y60 HydrophobicContact CB-CE2 3.97Å; T58-Y60 HydrophobicContact CG2-CD1 4.47Å; T58-Y60 HydrophobicContact CG2-CD2 4.31Å; T58-Y60 HydrophobicContact CG2-CE1 3.84Å; T58-Y60 HydrophobicContact CG2-CE2 3.65Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.28Å; T58-Y60 WeakPolarHBondContact O-CE2 3.18Å
61	M	97.7	Very high	94.8	Very high	29 Å²	29	64.2 Å²	64.2	14%	0.143	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115.8	166.2	176.9	176.5	68.7	0	0	106.7	W16 I28 A48 T49 L50 L63 Y74	W16-M61 HydrophobicContact CB-SD 3.92Å; W16-M61 HydrophobicContact CD2-CB 3.75Å; W16-M61 HydrophobicContact CD2-CE 4.32Å; W16-M61 HydrophobicContact CD2-SD 4.08Å; W16-M61 HydrophobicContact CE3-CB 3.98Å; W16-M61 HydrophobicContact CE3-CE 3.78Å; W16-M61 HydrophobicContact CE3-SD 4.15Å; W16-M61 HydrophobicContact CG-CB 4.27Å; W16-M61 HydrophobicContact CG-SD 4.01Å; W16-M61 HydrophobicContact CH2-CB 4.18Å; W16-M61 HydrophobicContact CZ2-CB 3.97Å; W16-M61 HydrophobicContact CZ3-CB 4.19Å; W16-M61 HydrophobicContact CZ3-CE 4.31Å; I28-M61 HydrophobicContact CD1-CE 4.03Å; I28-M61 HydrophobicContact CD1-SD 3.75Å; I28-M61 HydrophobicContact CG2-SD 3.87Å; A48-M61 HydrophobicContact CB-CG 4.42Å; T49-M61 WeakPolarHBondContact O-CA 3.49Å; L50-M61 HydrophobicContact CD2-CB 3.69Å; L50-M61 HydrophobicContact CD2-CG 3.6Å; L50-M61 HydrophobicContact CD2-SD 4.18Å; M61-L63 HydrophobicContact CE-CD1 3.96Å; M61-L63 HydrophobicContact CE-CD2 4.29Å; M61-L63 HydrophobicContact CE-CG 4.15Å; M61-L63 HydrophobicContact CG-CD2 4.17Å; M61-L63 HydrophobicContact CG-CG 4.24Å; M61-L63 HydrophobicContact SD-CD2 4.06Å; M61-L63 HydrophobicContact SD-CG 4.44Å; M61-Y74 HydrophobicContact CE-CD1 3.5Å; M61-Y74 HydrophobicContact CE-CE1 4.05Å; M61-Y74 HydrophobicContact CE-CG 4.29Å
62	E	97.4	Very high	94.7	Very high	91 Å²	91	61.2 Å²	61.2	43%	0.425	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.2	169.5	-169.8	-175.3	166.1	0	0	108.3	A48 T49 R64	A48-E62 CarbonylContact C-O 3.48Å; A48-E62 WeakPolarHBondContact CA-O 3.38Å; T49-E62 PolarHBondContact N-O 2.8Å; T49-E62 PolarHBondContact O-N 3.23Å; E62-R64 HydrophobicContact CG-CG 4.49Å; E62-R64 IonicContact OE1-CZ 3.86Å; E62-R64 IonicContact OE1-NE 3.95Å; E62-R64 PolarHBondContact OE1-NE 2.82Å; E62-R64 IonicContact OE1-NH2 3.52Å; E62-R64 PolarHBondContact OE1-NH2 2.77Å; E62-R64 IonicContact OE2-CZ 2.83Å; E62-R64 IonicContact OE2-NE 3.89Å; E62-R64 IonicContact OE2-NH2 3.7Å; E62-R64 PolarHBondContact OE2-NH2 2.93Å
63	L	95.7	Very high	94.8	Very high	37 Å²	37	61.4 Å²	61.4	19%	0.194	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.5	176.7	-67.3	171.3	0	0	0	109.5	K47 A48 M61 L66 Y74 L97	K47-L63 WeakPolarHBondContact O-CA 3.28Å; A48-L63 HydrophobicContact CB-CD2 3.92Å; M61-L63 HydrophobicContact CE-CD1 3.96Å; M61-L63 HydrophobicContact CE-CD2 4.29Å; M61-L63 HydrophobicContact CE-CG 4.15Å; M61-L63 HydrophobicContact CG-CD2 4.17Å; M61-L63 HydrophobicContact CG-CG 4.24Å; M61-L63 HydrophobicContact SD-CD2 4.06Å; M61-L63 HydrophobicContact SD-CG 4.44Å; L63-L66 HydrophobicContact CB-CD1 4.05Å; L63-L66 HydrophobicContact CB-CD2 3.86Å; L63-L66 HydrophobicContact CB-CG 4.16Å; L63-L66 HydrophobicContact CD1-CD2 4.33Å; L63-Y74 HydrophobicContact CD1-CD1 4.26Å; L63-Y74 HydrophobicContact CD1-CE1 3.64Å; L63-L97 HydrophobicContact CD1-CD2 3.78Å
64	R	94.7	Very high	94.8	Very high	140 Å²	140	59 Å²	59	53%	0.528	32%	0.322	S	S	.	.			trans	-125.5	156.5	-179.4	-63.8	-174.4	177.9	-179.6	5.5	111.4	K47 E62 L66	K47-R64 PolarHBondContact O-N 2.91Å; E62-R64 HydrophobicContact CG-CG 4.49Å; E62-R64 IonicContact OE1-CZ 3.86Å; E62-R64 IonicContact OE1-NE 3.95Å; E62-R64 PolarHBondContact OE1-NE 2.82Å; E62-R64 IonicContact OE1-NH2 3.52Å; E62-R64 PolarHBondContact OE1-NH2 2.77Å; E62-R64 IonicContact OE2-CZ 2.83Å; E62-R64 IonicContact OE2-NE 3.89Å; E62-R64 IonicContact OE2-NH2 3.7Å; E62-R64 PolarHBondContact OE2-NH2 2.93Å; R64-L66 VanDerWaalsContact C-N 3.29Å; R64-L66 PolarHBondContact O-N 2.84Å
65	S	91.5	Very high	94.9	Very high	109 Å²	109	54.8 Å²	54.8	76%	0.762	30%	0.304	S	S	*	.	S	Bend	trans	52.4	45.9	177.4	-56.4	0	0	0	0	113.2
66	L	92.1	Very high	94.9	Very high	54 Å²	54	50.3 Å²	50.3	28%	0.283	27%	0.272	S	S	.	.			trans	-71.8	142.8	-178.2	-67.8	178.4	0	0	0	111.8	L63 R64 D70 L97 V99	L63-L66 HydrophobicContact CB-CD1 4.05Å; L63-L66 HydrophobicContact CB-CD2 3.86Å; L63-L66 HydrophobicContact CB-CG 4.16Å; L63-L66 HydrophobicContact CD1-CD2 4.33Å; R64-L66 VanDerWaalsContact C-N 3.29Å; R64-L66 PolarHBondContact O-N 2.84Å; L66-D70 HydrophobicContact CB-CB 4.5Å; L66-D70 HydrophobicContact CD2-CB 3.68Å; L66-L97 HydrophobicContact CD1-CD2 3.76Å; L66-V99 HydrophobicContact CB-CG1 4.26Å; L66-V99 HydrophobicContact CB-CG2 4Å; L66-V99 HydrophobicContact CD1-CG2 4.08Å
67	T	93.3	Very high	94.7	Very high	63 Å²	63	48.6 Å²	48.6	39%	0.387	26%	0.26	S	S	.	.			trans	-115.5	171.9	171.2	68.6	0	0	0	0	110.7	E69 D70 V99	T67-E69 PolarHBondContact O-N 2.83Å; T67-E69 VanDerWaalsContact O-N 3.14Å; T67-D70 PolarHBondContact N-OD2 2.95Å; T67-D70 WeakPolarHBondContact O-CB 3.39Å; T67-D70 PolarHBondContact O-N 2.91Å; T67-V99 WeakPolarHBondContact O-CB 3.4Å
68	S	93.1	Very high	94.2	Very high	76 Å²	76	47.6 Å²	47.6	53%	0.531	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-56.2	-30.2	176.5	54.5	0	0	0	0	113.1	D70 S71 V99	S68-D70 PolarHBondContact O-N 2.86Å; S68-S71 VanDerWaalsContact O-CB 3.3Å; S68-S71 WeakPolarHBondContact O-CB 3.39Å; S68-S71 PolarHBondContact O-N 2.88Å; S68-S71 VanDerWaalsContact O-N 3.14Å; S68-S71 PolarHBondContact O-OG 3.44Å; S68-V99 WeakPolarHBondContact CA-O 2.79Å
69	E	89.9	Confident	93	Very high	135 Å²	135	49.8 Å²	49.8	63%	0.631	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-65.6	-21.7	175	-59	-174.7	172.7	0	0	113.2	R20 T67 S71	R20-E69 PolarHBondContact NE-O 3.39Å; R20-E69 PolarHBondContact NH2-O 2.86Å; T67-E69 PolarHBondContact O-N 2.83Å; T67-E69 VanDerWaalsContact O-N 3.14Å; E69-S71 PolarHBondContact O-N 2.97Å
70	D	92.4	Very high	91.3	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.027	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-79.3	-4.7	177.1	-65.1	-49.1	0	0	0	112.2	K18 K47 L66 T67 S68 A72 Y74	K18-D70 IonicContact NZ-OD1 3.18Å; K47-D70 IonicContact NZ-OD1 3.22Å; K47-D70 PolarHBondContact NZ-OD1 2.85Å; K47-D70 IonicContact NZ-OD2 2.77Å; K47-D70 PolarHBondContact NZ-OD2 2.92Å; L66-D70 HydrophobicContact CB-CB 4.5Å; L66-D70 HydrophobicContact CD2-CB 3.68Å; T67-D70 PolarHBondContact N-OD2 2.95Å; T67-D70 WeakPolarHBondContact O-CB 3.39Å; T67-D70 PolarHBondContact O-N 2.91Å; S68-D70 PolarHBondContact O-N 2.86Å; D70-A72 PolarHBondContact O-N 3.23Å; D70-Y74 PolarHBondContact O-OH 3.2Å
71	S	95	Very high	89.4	Confident	39 Å²	39	50.6 Å²	50.6	27%	0.273	27%	0.268	S	S	.	.			trans	-60.8	118.9	174.1	-58.7	0	0	0	0	111.5	S68 E69 L97 V99	S68-S71 VanDerWaalsContact O-CB 3.3Å; S68-S71 WeakPolarHBondContact O-CB 3.39Å; S68-S71 PolarHBondContact O-N 2.88Å; S68-S71 VanDerWaalsContact O-N 3.14Å; S68-S71 PolarHBondContact O-OG 3.44Å; E69-S71 PolarHBondContact O-N 2.97Å; S71-L97 VanDerWaalsContact CA-O 3.28Å; S71-L97 WeakPolarHBondContact CA-O 3.43Å; S71-V99 PolarHBondContact OG-N 3.03Å; S71-V99 PolarHBondContact OG-O 3.38Å
72	A	96.4	Very high	87.2	Confident	8 Å²	8	57.1 Å²	57.1	7%	0.066	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	171.7	-173	0	0	0	0	0	110.8	K18 Q19 R20 D70 Y74 L97	K18-A72 HydrophobicContact CB-CB 4.11Å; K18-A72 HydrophobicContact CD-CB 4.3Å; Q19-A72 WeakPolarHBondContact O-CA 3.33Å; Q19-A72 WeakPolarHBondContact O-CB 3.11Å; R20-A72 HydrophobicContact CG-CB 4.03Å; D70-A72 PolarHBondContact O-N 3.23Å; A72-Y74 HydrophobicContact CB-CD2 4.28Å; A72-Y74 HydrophobicContact CB-CE2 3.81Å; A72-L97 PolarHBondContact N-O 3.45Å; A72-L97 PolarHBondContact O-N 2.98Å
73	V	97.3	Very high	84.9	Confident	40 Å²	40	55.2 Å²	55.2	24%	0.242	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.3	161.3	-170.5	0	0	0	0	108.3	K18 Q19 F75 T95	K18-V73 CarbonylContact C-O 3.59Å; K18-V73 VanDerWaalsContact CA-O 3.32Å; K18-V73 WeakPolarHBondContact CA-O 3.48Å; Q19-V73 PolarHBondContact N-O 3.3Å; Q19-V73 PolarHBondContact O-N 3.4Å; V73-F75 HydrophobicContact CB-CE2 3.72Å; V73-F75 HydrophobicContact CB-CZ 3.86Å; V73-F75 HydrophobicContact CG1-CD2 4.27Å; V73-F75 HydrophobicContact CG1-CE1 3.89Å; V73-F75 HydrophobicContact CG1-CE2 3.52Å; V73-F75 HydrophobicContact CG1-CZ 3.3Å; V73-T95 CarbonylContact C-O 3.46Å; V73-T95 WeakPolarHBondContact CA-O 3.29Å
74	Y	97.1	Very high	82.6	Confident	9 Å²	9	62 Å²	62	4%	0.035	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.5	-179.3	-72.4	-98.2	0	0	0	109.8	V17 K18 I28 M61 L63 D70 A72 G94 T95 L97	V17-Y74 WeakPolarHBondContact O-CA 3.42Å; K18-Y74 HydrophobicContact CB-CD1 3.77Å; K18-Y74 HydrophobicContact CB-CE1 3.75Å; K18-Y74 HydrophobicContact CB-CG 4.28Å; K18-Y74 HydrophobicContact CD-CE1 4.18Å; I28-Y74 HydrophobicContact CD1-CD1 3.62Å; I28-Y74 HydrophobicContact CD1-CE1 3.64Å; M61-Y74 HydrophobicContact CE-CD1 3.5Å; M61-Y74 HydrophobicContact CE-CE1 4.05Å; M61-Y74 HydrophobicContact CE-CG 4.29Å; L63-Y74 HydrophobicContact CD1-CD1 4.26Å; L63-Y74 HydrophobicContact CD1-CE1 3.64Å; D70-Y74 PolarHBondContact O-OH 3.2Å; A72-Y74 HydrophobicContact CB-CD2 4.28Å; A72-Y74 HydrophobicContact CB-CE2 3.81Å; Y74-G94 CarbonylContact O-C 3.56Å; Y74-G94 WeakPolarHBondContact O-CA 3.48Å; Y74-T95 PolarHBondContact N-O 2.88Å; Y74-T95 PolarHBondContact O-N 2.66Å; Y74-L97 HydrophobicContact CD2-CB 3.74Å; Y74-L97 HydrophobicContact CD2-CD2 4.24Å; Y74-L97 HydrophobicContact CE2-CB 3.67Å; Y74-L97 HydrophobicContact CE2-CD2 3.66Å; Y74-L97 HydrophobicContact CE2-CG 4.25Å
75	F	95.7	Very high	80.5	Confident	31 Å²	31	61.7 Å²	61.7	14%	0.136	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.9	-179	-53	-96.9	0	0	0	109.8	W16 V17 Q19 V73 W91	W16-F75 WeakPolarHBondContact CA-O 2.92Å; V17-F75 HydrophobicContact CG2-CB 3.76Å; V17-F75 HydrophobicContact CG2-CD2 4.21Å; V17-F75 HydrophobicContact CG2-CG 4.4Å; V17-F75 PolarHBondContact N-O 2.7Å; V17-F75 PolarHBondContact O-N 3.4Å; Q19-F75 HydrophobicContact CB-CE2 3.8Å; V73-F75 HydrophobicContact CB-CE2 3.72Å; V73-F75 HydrophobicContact CB-CZ 3.86Å; V73-F75 HydrophobicContact CG1-CD2 4.27Å; V73-F75 HydrophobicContact CG1-CE1 3.89Å; V73-F75 HydrophobicContact CG1-CE2 3.52Å; V73-F75 HydrophobicContact CG1-CZ 3.3Å; F75-W91 HydrophobicContact CB-CE3 4.01Å; F75-W91 HydrophobicContact CB-CZ3 3.98Å; F75-W91 HydrophobicContact CG-CE3 4.39Å; F75-W91 HydrophobicContact CG-CZ3 4.36Å
76	C	94.1	Very high	78.6	Confident	14 Å²	14	58.7 Å²	58.7	10%	0.095	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	149.4	158.9	57.6	0	0	0	0	108.4	C2 I14 T15 W16 G92	C2-C76 HydrophobicContact CB-CB 3.5Å; C2-C76 WeakPolarHBondContact CB-SG 3.04Å; C2-C76 WeakPolarHBondContact SG-CB 3.29Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 3.04Å; I14-C76 HydrophobicContact CG2-CB 4.29Å; T15-C76 CarbonylContact O-C 3.52Å; T15-C76 VanDerWaalsContact O-CA 3.23Å; T15-C76 WeakPolarHBondContact O-CA 3.06Å; W16-C76 HydrophobicContact CD2-CB 4.28Å; W16-C76 HydrophobicContact CE3-CB 4.01Å; W16-C76 HydrophobicContact CH2-CB 4.2Å; W16-C76 HydrophobicContact CZ2-CB 4.44Å; W16-C76 HydrophobicContact CZ3-CB 3.98Å; C76-G92 PolarHBondContact O-N 2.59Å
77	N	90	Very high	76.7	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.011	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	170.6	168.6	65.9	14.3	0	0	0	109.5	I14 T15 F88 Y90 W91	I14-N77 WeakPolarHBondContact CA-O 2.99Å; T15-N77 WeakPolarHBondContact CB-OD1 3.34Å; T15-N77 WeakPolarHBondContact CG2-OD1 3.29Å; T15-N77 PolarHBondContact N-O 3.04Å; T15-N77 PolarHBondContact O-N 2.82Å; T15-N77 PolarHBondContact O-OD1 2.81Å; N77-F88 HydrophobicContact CB-CD1 4.27Å; N77-F88 WeakPolarHBondContact ND2-CD1 3.34Å; N77-F88 WeakPolarHBondContact ND2-CE1 3.46Å; N77-F88 WeakPolarHBondContact OD1-CD1 3.39Å; N77-Y90 WeakPolarHBondContact CA-O 3.38Å; N77-Y90 VanDerWaalsContact CB-O 3.23Å; N77-Y90 WeakPolarHBondContact CB-O 3.13Å; N77-W91 HydrophobicContact CB-CD2 3.74Å; N77-W91 HydrophobicContact CB-CE3 4.08Å; N77-W91 HydrophobicContact CB-CG 4.02Å; N77-W91 HydrophobicContact CB-CZ2 4.32Å; N77-W91 VanDerWaalsContact ND2-CH2 3.26Å; N77-W91 WeakPolarHBondContact ND2-CH2 3.5Å; N77-W91 WeakPolarHBondContact ND2-CZ2 3.35Å
78	E	83.8	Confident	75.1	Confident	19 Å²	19	61.9 Å²	61.9	9%	0.089	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.8	-174.2	-62.7	161.4	-168	0	0	109.3	Y7 G13 I14 F88 Y90	Y7-E78 HydrophobicContact CE1-CG 4.45Å; Y7-E78 WeakPolarHBondContact CE1-OE1 3.46Å; Y7-E78 WeakPolarHBondContact CE1-OE2 3.45Å; Y7-E78 WeakPolarHBondContact OH-CG 3.49Å; Y7-E78 PolarHBondContact OH-OE1 3.39Å; Y7-E78 PolarHBondContact OH-OE2 3.01Å; G13-E78 WeakPolarHBondContact O-CA 3.4Å; I14-E78 HydrophobicContact CD1-CG 3.92Å; E78-F88 WeakPolarHBondContact O-CA 3.34Å; E78-Y90 PolarHBondContact N-O 3.3Å; E78-Y90 WeakPolarHBondContact OE2-CB 3.46Å; E78-Y90 WeakPolarHBondContact OE2-CD2 3.39Å
79	E	71	Confident	73.8	Confident	55 Å²	55	62.7 Å²	62.7	26%	0.257	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.2	177	-170.6	171.7	173.3	0	0	109.2	Y12 G13 F88	Y12-E79 CarbonylContact C-O 3.51Å; Y12-E79 WeakPolarHBondContact CA-O 3.16Å; G13-E79 PolarHBondContact N-O 3.22Å; G13-E79 PolarHBondContact O-N 2.77Å; E79-F88 HydrophobicContact CB-CD1 4.46Å; E79-F88 HydrophobicContact CB-CE1 4.34Å
80	G	61.6	Low	73.2	Confident	16 Å²	16	63 Å²	63	17%	0.165	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	141.9	-176.8	0	0	0	0	0	113.3	Y12	Y12-G80 VanDerWaalsContact CD1-CA 3.42Å
81	Y	57.3	Low	72.9	Confident	90 Å²	90	67.8 Å²	67.8	35%	0.353	35%	0.348	S	S	.	.	S	Bend	trans	-74.1	-23.4	176.3	-69.8	-63	0	0	0	114.8	T10 S11 Y32	T10-Y81 WeakPolarHBondContact O-CE2 3.34Å; S11-Y81 WeakPolarHBondContact O-CD2 3.45Å; Y32-Y81 WeakPolarHBondContact CA-OH 3.46Å; Y32-Y81 WeakPolarHBondContact CB-OH 3.5Å; Y32-Y81 HydrophobicContact CD1-CD1 4.22Å; Y32-Y81 AromaticContact CD1-CE1 3.1Å; Y32-Y81 HydrophobicContact CD1-CE1 3.1Å; Y32-Y81 AromaticContact CD1-CZ 3.39Å; Y32-Y81 WeakPolarHBondContact CD1-OH 3.43Å; Y32-Y81 HydrophobicContact CE1-CD1 4.13Å; Y32-Y81 AromaticContact CE1-CE1 3.4Å; Y32-Y81 HydrophobicContact CE1-CE1 3.4Å; Y32-Y81 VanDerWaalsContact CE1-CE1 3.4Å; Y32-Y81 AromaticContact CG-CE1 3.88Å; Y32-Y81 HydrophobicContact CG-CE1 3.88Å
82	D	51.9	Low	72.6	Confident	166 Å²	166	67.3 Å²	67.3	89%	0.888	35%	0.35	S	S	*	.	S	Bend	trans	-112.8	2.7	-165	-94.1	-31.1	0	0	0	114.4
83	S	49.2	Very low	72.4	Confident	51 Å²	51	75.9 Å²	75.9	36%	0.357	39%	0.388	S	S	.	.			trans	-92.3	115.5	178.7	54.8	0	0	0	0	110.1	E85	S83-E85 WeakPolarHBondContact CB-O 3.36Å; S83-E85 CarbonylContact O-C 3.57Å; S83-E85 PolarHBondContact O-N 2.77Å; S83-E85 PolarHBondContact OG-O 2.74Å
84	D	48.2	Very low	72.3	Confident	180 Å²	180	75.5 Å²	75.5	96%	0.963	39%	0.393	S	S	*	.	S	Bend	trans	-53.9	-5.3	164.4	-87.7	-41.8	0	0	0	113
85	E	49.7	Very low	72.3	Confident	133 Å²	133	79.5 Å²	79.5	62%	0.621	42%	0.418	S	S	*	.	S	Bend	trans	-129	109.1	165.4	-66.2	-179.2	153.5	0	0	109	S83 H87	S83-E85 WeakPolarHBondContact CB-O 3.36Å; S83-E85 CarbonylContact O-C 3.57Å; S83-E85 PolarHBondContact O-N 2.77Å; S83-E85 PolarHBondContact OG-O 2.74Å; E85-H87 VanDerWaalsContact C-N 3.3Å; E85-H87 WeakPolarHBondContact CB-NE2 3.5Å; E85-H87 PolarHBondContact O-CD2 3.35Å; E85-H87 VanDerWaalsContact O-CD2 3.26Å; E85-H87 PolarHBondContact O-N 2.78Å; E85-H87 IonicContact OE2-CD2 3.27Å; E85-H87 IonicContact OE2-CE1 2.87Å; E85-H87 IonicContact OE2-NE2 3.82Å; E85-H87 PolarHBondContact OE2-NE2 3.15Å
86	G	51.7	Low	72.3	Confident	47 Å²	47	82.8 Å²	82.8	49%	0.485	44%	0.441	S	S	.	.			trans	-65.7	81.1	178.4	0	0	0	0	0	112.6
87	H	52.8	Low	72.4	Confident	93 Å²	93	84.8 Å²	84.8	43%	0.431	45%	0.45	S	S	.	.			trans	-86.4	126.1	176.4	-67.3	-66.8	0	0	0	109.8	E85 D89	E85-H87 VanDerWaalsContact C-N 3.3Å; E85-H87 WeakPolarHBondContact CB-NE2 3.5Å; E85-H87 PolarHBondContact O-CD2 3.35Å; E85-H87 VanDerWaalsContact O-CD2 3.26Å; E85-H87 PolarHBondContact O-N 2.78Å; E85-H87 IonicContact OE2-CD2 3.27Å; E85-H87 IonicContact OE2-CE1 2.87Å; E85-H87 IonicContact OE2-NE2 3.82Å; E85-H87 PolarHBondContact OE2-NE2 3.15Å; H87-D89 WeakPolarHBondContact CB-OD1 3.49Å; H87-D89 PolarHBondContact O-N 2.92Å
88	F	59.9	Low	72.6	Confident	90 Å²	90	90 Å²	90	40%	0.395	48%	0.482	S	S	.	.			trans	-74.7	74.6	168.2	-66	-70.5	0	0	0	109.1	T15 N77 E78 E79 Y90 W91	T15-F88 HydrophobicContact CG2-CE1 4.2Å; N77-F88 HydrophobicContact CB-CD1 4.27Å; N77-F88 WeakPolarHBondContact ND2-CD1 3.34Å; N77-F88 WeakPolarHBondContact ND2-CE1 3.46Å; N77-F88 WeakPolarHBondContact OD1-CD1 3.39Å; E78-F88 WeakPolarHBondContact O-CA 3.34Å; E79-F88 HydrophobicContact CB-CD1 4.46Å; E79-F88 HydrophobicContact CB-CE1 4.34Å; F88-Y90 PolarHBondContact O-N 3.05Å; F88-W91 HydrophobicContact CB-CZ2 4.43Å; F88-W91 HydrophobicContact CG-CZ2 4.44Å
89	D	65.4	Low	73.1	Confident	94 Å²	94	90.5 Å²	90.5	50%	0.503	49%	0.487	S	S	.	.			trans	-65.1	-25.3	-168.8	-71.2	-31.1	0	0	0	112.8	H87	H87-D89 WeakPolarHBondContact CB-OD1 3.49Å; H87-D89 PolarHBondContact O-N 2.92Å
90	Y	76.4	Confident	74	Confident	140 Å²	140	93 Å²	93	55%	0.549	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.3	-177.1	-58.9	-79.3	0	0	0	112.3	N77 E78 F88	N77-Y90 WeakPolarHBondContact CA-O 3.38Å; N77-Y90 VanDerWaalsContact CB-O 3.23Å; N77-Y90 WeakPolarHBondContact CB-O 3.13Å; E78-Y90 PolarHBondContact N-O 3.3Å; E78-Y90 WeakPolarHBondContact OE2-CB 3.46Å; E78-Y90 WeakPolarHBondContact OE2-CD2 3.39Å; F88-Y90 PolarHBondContact O-N 3.05Å
91	W	86.8	Confident	75	Confident	107 Å²	107	100.8 Å²	100.8	41%	0.405	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.2	134.3	174.7	-75.7	73.7	0	0	0	110.4	V17 L25 F75 N77 F88	V17-W91 HydrophobicContact CG2-CH2 3.81Å; V17-W91 HydrophobicContact CG2-CZ3 3.45Å; V17-W91 VanDerWaalsContact CG2-CZ3 3.45Å; L25-W91 HydrophobicContact CD1-CH2 3.82Å; L25-W91 HydrophobicContact CD1-CZ3 4.39Å; F75-W91 HydrophobicContact CB-CE3 4.01Å; F75-W91 HydrophobicContact CB-CZ3 3.98Å; F75-W91 HydrophobicContact CG-CE3 4.39Å; F75-W91 HydrophobicContact CG-CZ3 4.36Å; N77-W91 HydrophobicContact CB-CD2 3.74Å; N77-W91 HydrophobicContact CB-CE3 4.08Å; N77-W91 HydrophobicContact CB-CG 4.02Å; N77-W91 HydrophobicContact CB-CZ2 4.32Å; N77-W91 VanDerWaalsContact ND2-CH2 3.26Å; N77-W91 WeakPolarHBondContact ND2-CH2 3.5Å; N77-W91 WeakPolarHBondContact ND2-CZ2 3.35Å; F88-W91 HydrophobicContact CB-CZ2 4.43Å; F88-W91 HydrophobicContact CG-CZ2 4.44Å
92	G	89.1	Confident	75.9	Confident	29 Å²	29	101.4 Å²	101.4	30%	0.299	57%	0.573	S	S	.	*			trans	-65.1	155	164.1	0	0	0	0	0	110.9	C76 G94	C76-G92 PolarHBondContact O-N 2.59Å; G92-G94 PolarHBondContact O-N 3.2Å
93	Q	92.6	Very high	77.1	Confident	188 Å²	188	97.9 Å²	97.9	88%	0.879	56%	0.556	S	S	*	*			trans	-63	-12	179.5	-64.7	-62.6	-54.6	0	0	114.2
94	G	94.1	Very high	78.7	Confident	32 Å²	32	100.6 Å²	100.6	33%	0.33	57%	0.567	S	S	.	*			trans	81.4	158.6	-174	0	0	0	0	0	112.8	Y74 G92	Y74-G94 CarbonylContact O-C 3.56Å; Y74-G94 WeakPolarHBondContact O-CA 3.48Å; G92-G94 PolarHBondContact O-N 3.2Å
95	T	96.4	Very high	80.5	Confident	93 Å²	93	95.9 Å²	95.9	57%	0.571	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.5	173.8	-169.6	0	0	0	0	110.3	V73 Y74	V73-T95 CarbonylContact C-O 3.46Å; V73-T95 WeakPolarHBondContact CA-O 3.29Å; Y74-T95 PolarHBondContact N-O 2.88Å; Y74-T95 PolarHBondContact O-N 2.66Å
96	T	96.8	Very high	82.4	Confident	100 Å²	100	93.6 Å²	93.6	61%	0.613	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	125	177.2	-55.1	0	0	0	0	109.7
97	L	94.8	Very high	84.4	Confident	55 Å²	55	96.7 Å²	96.7	29%	0.288	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.1	169.7	-178.2	64.9	0	0	0	108.4	L63 L66 S71 A72 Y74 V99	L63-L97 HydrophobicContact CD1-CD2 3.78Å; L66-L97 HydrophobicContact CD1-CD2 3.76Å; S71-L97 VanDerWaalsContact CA-O 3.28Å; S71-L97 WeakPolarHBondContact CA-O 3.43Å; A72-L97 PolarHBondContact N-O 3.45Å; A72-L97 PolarHBondContact O-N 2.98Å; Y74-L97 HydrophobicContact CD2-CB 3.74Å; Y74-L97 HydrophobicContact CD2-CD2 4.24Å; Y74-L97 HydrophobicContact CE2-CB 3.67Å; Y74-L97 HydrophobicContact CE2-CD2 3.66Å; Y74-L97 HydrophobicContact CE2-CG 4.25Å; L97-V99 HydrophobicContact CG-CG2 4.37Å
98	T	95.4	Very high	86.7	Confident	111 Å²	111	96.9 Å²	96.9	68%	0.681	55%	0.55	S	S	*	*			trans	-117.8	128.6	176.4	-55.1	0	0	0	0	109
99	V	93.6	Very high	88.8	Confident	31 Å²	31	97.5 Å²	97.5	19%	0.188	56%	0.562	C	S	.	*			trans	-119.2	117.7	178.9	-174.6	0	0	0	0	107.3	L66 T67 S68 S71 L97	L66-V99 HydrophobicContact CB-CG1 4.26Å; L66-V99 HydrophobicContact CB-CG2 4Å; L66-V99 HydrophobicContact CD1-CG2 4.08Å; T67-V99 WeakPolarHBondContact O-CB 3.4Å; S68-V99 WeakPolarHBondContact CA-O 2.79Å; S71-V99 PolarHBondContact OG-N 3.03Å; S71-V99 PolarHBondContact OG-O 3.38Å; L97-V99 HydrophobicContact CG-CG2 4.37Å
100	S	90.6	Very high	90.7	Very high	107 Å²	107	97.8 Å²	97.8	75%	0.748	57%	0.567	S	S	*	*			trans	-107.7	147.7	174.8	56.1	0	0	0	0	110.3
101	S	81.9	Confident	92	Very high	180 Å²	180	93.9 Å²	93.9	100%	1.259	57%	0.569	S	S	*	*			trans	-72.2	0	171.7	57.4	0	0	0	0	112.7

Retrieved 101 of 101 residues in 21.8 ms (Link to these results)

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