X5J5K0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5K0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 aa.

						>X5J5K0_MOUSE|X5J5K0
AELVKPGASVKMSCKASGYTFTSYWITWVKQRPGQGLEWIGDIYPGSGSTNYNEKFKSKATLTVDTSSSTAYMQLSSLTSEDSAVYYCARGYDYWGQGTTLTVSS
					

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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	A	75.7	Confident	92.3	Very high	118 Å²	118	76.4 Å²	76.4	98%	0.975	46%	0.461	S	S	*	.				0	140.5	0	0	0	0	0	0	108	T100	A1-T100 CarbonylContact C-O 3.43Å; A1-T100 WeakPolarHBondContact CA-O 3.34Å
2	E	85.9	Confident	92.6	Very high	74 Å²	74	70.7 Å²	70.7	35%	0.346	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.8	-176.2	-163.9	170.8	162.9	0	0	109.9	V4 V10 T100 L101 T102	E2-V4 HydrophobicContact CG-CG1 3.94Å; E2-V10 HydrophobicContact CG-CG2 4.49Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.29Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; E2-T100 PolarHBondContact N-O 3.03Å; E2-L101 HydrophobicContact CB-CD1 4.08Å; E2-L101 HydrophobicContact CG-CD1 4.47Å; E2-T102 PolarHBondContact O-N 3.3Å
3	L	92.4	Very high	92.9	Very high	127 Å²	127	71 Å²	71	67%	0.665	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.7	178.6	179.3	66.5	0	0	0	108.7	T102	L3-T102 WeakPolarHBondContact CA-O 3.49Å; L3-T102 HydrophobicContact CD1-CG2 3.75Å
4	V	94.3	Very high	93.1	Very high	17 Å²	17	67 Å²	67	10%	0.103	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.3	-174.3	-58.7	0	0	0	0	111.6	E2 A8 L78 L101 T102 V103 S104	E2-V4 HydrophobicContact CG-CG1 3.94Å; V4-A8 HydrophobicContact CB-CB 4.3Å; V4-L78 HydrophobicContact CB-CD1 4.5Å; V4-L78 HydrophobicContact CG2-CD1 3.56Å; V4-L101 HydrophobicContact CG1-CD1 4.27Å; V4-L101 HydrophobicContact CG2-CD1 3.89Å; V4-T102 PolarHBondContact N-O 3.4Å; V4-V103 HydrophobicContact CG2-CB 4.35Å; V4-V103 HydrophobicContact CG2-CG1 4.39Å; V4-V103 HydrophobicContact CG2-CG2 3.82Å; V4-V103 CarbonylContact O-C 3.5Å; V4-V103 WeakPolarHBondContact O-CA 3.33Å; V4-S104 PolarHBondContact O-N 3.01Å; V4-S104 PolarHBondContact O-OG 2.62Å
5	K	93.8	Very high	93.3	Very high	159 Å²	159	73.2 Å²	73.2	69%	0.691	43%	0.429	S	S	*	.			trans	-84.9	158.1	175	-63.1	-176.3	-178.3	-178.4	0	111	A8	K5-A8 WeakPolarHBondContact O-CB 3.27Å; K5-A8 PolarHBondContact O-N 3.25Å
6	P	95.3	Very high	93.2	Very high	69 Å²	69	69.4 Å²	69.4	45%	0.448	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	146.6	173.5	-19.4	35.1	0	0	0	110.7	A8 L78 V103 S104	P6-A8 PolarHBondContact O-N 3.28Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.29Å; P6-V103 HydrophobicContact CB-CG1 4.42Å; P6-V103 HydrophobicContact CG-CG1 4.24Å; P6-S104 WeakPolarHBondContact CD-O 3.39Å; P6-S104 WeakPolarHBondContact CG-O 3.3Å
7	G	94	Very high	93.1	Very high	55 Å²	55	71.5 Å²	71.5	57%	0.567	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-11.2	-175.8	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.91Å
8	A	95.4	Very high	92.9	Very high	33 Å²	33	72.5 Å²	72.5	27%	0.273	46%	0.455	S	S	.	.			trans	-66.4	166.8	175.3	0	0	0	0	0	111.8	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.3Å; K5-A8 WeakPolarHBondContact O-CB 3.27Å; K5-A8 PolarHBondContact O-N 3.25Å; P6-A8 PolarHBondContact O-N 3.28Å; A8-S77 PolarHBondContact O-N 2.81Å; A8-L78 WeakPolarHBondContact O-CB 3.13Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.27Å; A8-L78 PolarHBondContact O-N 2.98Å
9	S	96.2	Very high	92.8	Very high	66 Å²	66	71.9 Å²	71.9	46%	0.462	44%	0.444	S	S	.	.			trans	-119.4	144.2	169.6	-59.4	0	0	0	0	109.6	L75 S76	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.14Å; S9-L75 WeakPolarHBondContact CB-O 3.48Å; S9-S76 WeakPolarHBondContact OG-CA 3.43Å
10	V	96.2	Very high	92.9	Very high	4 Å²	4	72.8 Å²	72.8	2%	0.024	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.9	178	62.5	0	0	0	0	110.1	E2 M12 Q74 L75 L78 L101	E2-V10 HydrophobicContact CG-CG2 4.49Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.29Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; V10-M12 HydrophobicContact CG1-CG 4.44Å; V10-M12 HydrophobicContact CG2-CG 4.08Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.24Å; V10-Q74 WeakPolarHBondContact O-CA 3.39Å; V10-L75 HydrophobicContact CG1-CB 3.89Å; V10-L75 HydrophobicContact CG1-CD1 4.23Å; V10-L75 HydrophobicContact CG1-CG 4.48Å; V10-L75 PolarHBondContact N-O 3.04Å; V10-L75 PolarHBondContact O-N 2.88Å; V10-L78 HydrophobicContact CB-CD1 4.14Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-L78 HydrophobicContact CG1-CD2 4.42Å; V10-L101 HydrophobicContact CB-CD1 4.45Å; V10-L101 HydrophobicContact CG1-CD1 4.2Å; V10-L101 HydrophobicContact CG1-CD2 3.92Å; V10-L101 HydrophobicContact CG2-CD1 4.41Å
11	K	96.6	Very high	92.9	Very high	118 Å²	118	69.6 Å²	69.6	51%	0.513	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.7	172.6	-174.1	176.6	179.5	178.7	0	109.8	Y72	K11-Y72 HydrophobicContact CD-CD1 4.35Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 VanDerWaalsContact CE-CG 3.4Å; K11-Y72 HydrophobicContact CG-CD1 4.26Å
12	M	95.9	Very high	93.9	Very high	8 Å²	8	66.6 Å²	66.6	4%	0.039	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	143.2	-178.9	-48.1	-176.3	79.6	0	0	109.1	V10 W28 Y72 M73 L75 Y86 T99	V10-M12 HydrophobicContact CG1-CG 4.44Å; V10-M12 HydrophobicContact CG2-CG 4.08Å; M12-W28 HydrophobicContact CB-CH2 4.26Å; M12-W28 HydrophobicContact CB-CZ3 4.16Å; M12-Y72 CarbonylContact O-C 3.49Å; M12-Y72 WeakPolarHBondContact O-CA 3.36Å; M12-M73 HydrophobicContact CG-CE 4.28Å; M12-M73 PolarHBondContact N-O 2.81Å; M12-M73 PolarHBondContact O-N 3.4Å; M12-M73 HydrophobicContact SD-CE 3.44Å; M12-M73 WeakPolarHBondContact SD-CE 3.47Å; M12-L75 HydrophobicContact SD-CD1 4.38Å; M12-Y86 HydrophobicContact CE-CD2 4.17Å; M12-Y86 HydrophobicContact CE-CG 4.15Å; M12-Y86 HydrophobicContact SD-CD2 4.14Å; M12-Y86 HydrophobicContact SD-CG 3.91Å; M12-T99 HydrophobicContact CE-CG2 3.34Å
13	S	96.4	Very high	94.3	Very high	75 Å²	75	65.9 Å²	65.9	52%	0.524	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.7	-179.9	64.7	0	0	0	0	111.9	A71 Y72	S13-A71 CarbonylContact C-O 3.5Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å
14	C	95.8	Very high	94.3	Very high	15 Å²	15	64.9 Å²	64.9	10%	0.101	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	100.7	174.5	-178.2	0	0	0	0	108.2	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.72Å; C14-T70 WeakPolarHBondContact O-CA 3.33Å; C14-A71 HydrophobicContact CB-CB 4.39Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.99Å; C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 2.95Å; C14-C88 WeakPolarHBondContact SG-CB 3.34Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.24Å
15	K	95.5	Very high	94.4	Very high	160 Å²	160	68.5 Å²	68.5	70%	0.696	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.9	-179.2	-172.6	172	-175.3	177.7	0	110.2	T70	K15-T70 HydrophobicContact CB-CG2 4.47Å
16	A	92.8	Very high	94.5	Very high	13 Å²	13	61 Å²	61	11%	0.107	37%	0.369	C	S	.	.			trans	-76.2	149.4	176.2	0	0	0	0	0	111.7	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.72Å; A16-Y19 HydrophobicContact CB-CE2 4.14Å; A16-Y19 VanDerWaalsContact CB-CZ 3.42Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; A16-F21 HydrophobicContact CB-CB 4.02Å; A16-F21 HydrophobicContact CB-CD2 3.3Å; A16-F21 HydrophobicContact CB-CE2 3.97Å; A16-F21 HydrophobicContact CB-CG 3.93Å; A16-S69 WeakPolarHBondContact CB-O 3.19Å; A16-S69 PolarHBondContact N-O 3.27Å
17	S	90.9	Very high	94.6	Very high	104 Å²	104	57.9 Å²	57.9	73%	0.727	35%	0.349	S	S	*	.			trans	-149.9	142.4	173.2	60.4	0	0	0	0	110.2	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.43Å
18	G	90.1	Very high	94.8	Very high	90 Å²	90	55.5 Å²	55.5	93%	0.928	32%	0.323	S	S	*	.	S	Bend	trans	77.2	17.6	174.4	0	0	0	0	0	116.2
19	Y	90.2	Very high	94.9	Very high	61 Å²	61	54.1 Å²	54.1	24%	0.239	31%	0.311	C	S	.	.	S	Bend	trans	-159.7	167	174.2	64.8	-84.3	0	0	0	112.9	A16 S17 F21 Y24 I26 R90	A16-Y19 HydrophobicContact CB-CE1 3.72Å; A16-Y19 HydrophobicContact CB-CE2 4.14Å; A16-Y19 VanDerWaalsContact CB-CZ 3.42Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; Y19-F21 HydrophobicContact CE2-CD2 4.32Å; Y19-F21 PolarHBondContact O-N 2.97Å; Y19-Y24 AromaticContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CD2 3.57Å; Y19-Y24 AromaticContact CD2-CE2 4Å; Y19-Y24 HydrophobicContact CD2-CE2 4Å; Y19-Y24 HydrophobicContact CD2-CG 4.45Å; Y19-Y24 HydrophobicContact CE2-CD2 4.02Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.06Å; Y19-R90 VanDerWaalsContact CE2-CD 3.44Å; Y19-R90 HydrophobicContact CE2-CG 4.22Å
20	T	93.9	Very high	94.9	Very high	90 Å²	90	51 Å²	51	55%	0.552	29%	0.289	S	S	*	.			trans	-70.8	96.8	172	-50.8	0	0	0	0	110.2	T22 S23 Y24	T20-T22 PolarHBondContact O-N 3.07Å; T20-T22 VanDerWaalsContact O-N 3.14Å; T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.49Å; T20-S23 PolarHBondContact O-N 3.23Å; T20-Y24 WeakPolarHBondContact O-CD2 3.04Å
21	F	94	Very high	95	Very high	6 Å²	6	54 Å²	54	3%	0.026	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-53	-36.9	-174.6	176.9	-119.8	0	0	0	114	A16 Y19 S23 I26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.02Å; A16-F21 HydrophobicContact CB-CD2 3.3Å; A16-F21 HydrophobicContact CB-CE2 3.97Å; A16-F21 HydrophobicContact CB-CG 3.93Å; Y19-F21 HydrophobicContact CE2-CD2 4.32Å; Y19-F21 PolarHBondContact O-N 2.97Å; F21-S23 PolarHBondContact O-N 3.22Å; F21-I26 HydrophobicContact CD2-CD1 4.16Å; F21-I26 HydrophobicContact CD2-CG1 4.42Å; F21-I26 HydrophobicContact CE2-CD1 3.82Å; F21-I26 HydrophobicContact CE2-CG1 3.69Å; F21-I26 HydrophobicContact CZ-CG1 4.36Å; F21-P45 HydrophobicContact CD1-CB 3.79Å; F21-P45 HydrophobicContact CD1-CG 4.14Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.47Å; F21-P45 VanDerWaalsContact CE1-CB 3.47Å; F21-P45 HydrophobicContact CE1-CG 3.73Å; F21-P45 HydrophobicContact CE2-CB 4.45Å; F21-P45 HydrophobicContact CE2-CG 3.8Å; F21-P45 HydrophobicContact CG-CB 4.41Å; F21-P45 HydrophobicContact CG-CG 4.37Å; F21-P45 HydrophobicContact CZ-CB 3.84Å; F21-P45 HydrophobicContact CZ-CG 3.55Å; F21-P45 WeakPolarHBondContact O-CG 3.07Å; F21-V64 HydrophobicContact CE1-CB 4.46Å; F21-V64 HydrophobicContact CE1-CG1 4.43Å; F21-V64 HydrophobicContact CZ-CG1 4.18Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; F21-A71 HydrophobicContact CE2-CB 4.33Å; F21-A71 HydrophobicContact CZ-CB 3.98Å
22	T	95.6	Very high	94.9	Very high	55 Å²	55	51 Å²	51	34%	0.337	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-74.8	-4.2	-177.6	51.3	0	0	0	0	114.9	T20 Y44 G46 T66	T20-T22 PolarHBondContact O-N 3.07Å; T20-T22 VanDerWaalsContact O-N 3.14Å; T22-Y44 PolarHBondContact O-OH 3.45Å; T22-G46 VanDerWaalsContact O-CA 3.3Å; T22-G46 WeakPolarHBondContact O-CA 3.41Å; T22-G46 PolarHBondContact O-N 2.93Å; T22-T66 HydrophobicContact CG2-CG2 3.89Å
23	S	94.2	Very high	94.6	Very high	59 Å²	59	56.2 Å²	56.2	41%	0.413	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-102	0.7	-176.7	-55	0	0	0	0	114.4	T20 F21	T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.49Å; T20-S23 PolarHBondContact O-N 3.23Å; F21-S23 PolarHBondContact O-N 3.22Å
24	Y	93.4	Very high	94.4	Very high	105 Å²	105	57.2 Å²	57.2	41%	0.412	35%	0.345	S	S	.	.	S	Bend	trans	-135.9	144.6	-174.6	-64.6	-87.8	0	0	0	112.5	Y19 T20 P45 R90	Y19-Y24 AromaticContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CD2 3.57Å; Y19-Y24 AromaticContact CD2-CE2 4Å; Y19-Y24 HydrophobicContact CD2-CE2 4Å; Y19-Y24 HydrophobicContact CD2-CG 4.45Å; Y19-Y24 HydrophobicContact CE2-CD2 4.02Å; T20-Y24 WeakPolarHBondContact O-CD2 3.04Å; Y24-P45 WeakPolarHBondContact O-CD 3.21Å; Y24-R90 HydrophobicContact CD1-CG 4.09Å; Y24-R90 HydrophobicContact CG-CG 3.88Å
25	W	96	Very high	94.3	Very high	94 Å²	94	61.3 Å²	61.3	36%	0.356	36%	0.362	S	S	.	.			trans	-66.1	136.2	167.1	-71.2	92	0	0	0	110.8	D42 Y44 S49 N51	W25-D42 HydrophobicContact CE3-CB 3.89Å; W25-D42 WeakPolarHBondContact CZ3-OD1 3.28Å; W25-Y44 AromaticContact CD1-CD2 3.75Å; W25-Y44 AromaticContact CD2-CD2 3.96Å; W25-Y44 HydrophobicContact CD2-CD2 3.96Å; W25-Y44 HydrophobicContact CD2-CG 4.27Å; W25-Y44 AromaticContact CE2-CD2 3.83Å; W25-Y44 VanDerWaalsContact CE3-N 3.3Å; W25-Y44 AromaticContact CG-CD2 3.92Å; W25-Y44 HydrophobicContact CG-CD2 3.92Å; W25-Y44 HydrophobicContact CZ2-CD2 4.49Å; W25-Y44 HydrophobicContact CZ2-CG 4.24Å; W25-Y44 AromaticContact NE1-CD2 3.67Å; W25-S49 WeakPolarHBondContact CZ3-O 3.39Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.27Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.44Å
26	I	96.8	Very high	94.2	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.9	171.3	-50.8	-58.9	0	0	0	107.9	Y19 F21 D42 I43 P45 A71 C88	Y19-I26 WeakPolarHBondContact OH-CD1 3.06Å; F21-I26 HydrophobicContact CD2-CD1 4.16Å; F21-I26 HydrophobicContact CD2-CG1 4.42Å; F21-I26 HydrophobicContact CE2-CD1 3.82Å; F21-I26 HydrophobicContact CE2-CG1 3.69Å; F21-I26 HydrophobicContact CZ-CG1 4.36Å; I26-D42 CarbonylContact O-C 3.53Å; I26-D42 WeakPolarHBondContact O-CA 3.33Å; I26-D42 WeakPolarHBondContact O-CB 3.08Å; I26-I43 HydrophobicContact CB-CG2 4.14Å; I26-I43 PolarHBondContact N-O 2.95Å; I26-I43 PolarHBondContact O-N 2.83Å; I26-P45 HydrophobicContact CG1-CG 3.83Å; I26-A71 HydrophobicContact CB-CB 4.16Å; I26-A71 HydrophobicContact CG1-CB 4.24Å; I26-A71 HydrophobicContact CG2-CB 3.8Å; I26-C88 HydrophobicContact CG2-CB 4.31Å
27	T	97.3	Very high	94.3	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.018	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138	-176	-57.7	0	0	0	0	110.5	V29 C88 A89 Y92	T27-V29 HydrophobicContact CG2-CG2 3.98Å; T27-C88 CarbonylContact O-C 3.55Å; T27-C88 WeakPolarHBondContact O-CA 3.48Å; T27-A89 PolarHBondContact N-O 2.92Å; T27-A89 PolarHBondContact O-N 2.88Å; T27-Y92 HydrophobicContact CG2-CE1 3.79Å
28	W	97.8	Very high	94.5	Very high	5 Å²	5	56.9 Å²	56.9	2%	0.019	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.7	174.7	-68.7	91.4	0	0	0	111	M12 C14 I40 G41 L62 A71 M73 Y87 C88	M12-W28 HydrophobicContact CB-CH2 4.26Å; M12-W28 HydrophobicContact CB-CZ3 4.16Å; C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.72Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.37Å; W28-I40 WeakPolarHBondContact O-CB 3.24Å; W28-I40 PolarHBondContact O-N 2.93Å; W28-G41 PolarHBondContact N-O 2.81Å; W28-L62 HydrophobicContact CG-CD2 4.09Å; W28-A71 HydrophobicContact CZ2-CB 4.41Å; W28-M73 HydrophobicContact CB-SD 4.01Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.14Å; W28-M73 HydrophobicContact CE3-CB 3.9Å; W28-M73 HydrophobicContact CE3-CE 3.91Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.12Å; W28-M73 HydrophobicContact CH2-CB 4.12Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.13Å; W28-M73 HydrophobicContact CZ3-CE 4.3Å; W28-Y87 WeakPolarHBondContact CA-O 3.5Å; W28-C88 HydrophobicContact CD2-CB 4.23Å; W28-C88 HydrophobicContact CE3-CB 4.05Å; W28-C88 HydrophobicContact CH2-CB 4.18Å; W28-C88 HydrophobicContact CZ2-CB 4.32Å; W28-C88 HydrophobicContact CZ3-CB 4.03Å
29	V	97.4	Very high	94.8	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	137.5	-173.5	-176.5	0	0	0	0	109.8	T27 L37 E38 Y86 Y87 W95	T27-V29 HydrophobicContact CG2-CG2 3.98Å; V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 CarbonylContact C-O 3.45Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; V29-Y87 PolarHBondContact N-O 3.15Å; V29-Y87 PolarHBondContact O-N 2.97Å; V29-W95 HydrophobicContact CB-CH2 4.15Å; V29-W95 HydrophobicContact CB-CZ3 3.87Å; V29-W95 HydrophobicContact CG1-CH2 4.15Å; V29-W95 HydrophobicContact CG1-CZ3 4.12Å; V29-W95 HydrophobicContact CG2-CH2 3.76Å; V29-W95 HydrophobicContact CG2-CZ3 3.87Å
30	K	96.9	Very high	95.2	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.009	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.1	172.9	-178	179.4	-178	179.1	0	109.9	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 3.09Å; K30-I40 HydrophobicContact CB-CD1 3.95Å; K30-I40 HydrophobicContact CB-CG1 4.25Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 4.07Å; K30-E81 PolarHBondContact NZ-O 2.84Å; K30-D82 IonicContact NZ-OD1 3.85Å; K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.61Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.97Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.8Å
31	Q	96.9	Very high	95.4	Very high	65 Å²	65	49.1 Å²	49.1	30%	0.304	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	115.7	171.3	-170.2	-178.3	38.2	0	0	110	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.84Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; Q31-A84 WeakPolarHBondContact O-CB 3.39Å; Q31-V85 PolarHBondContact N-O 2.82Å; Q31-V85 PolarHBondContact O-N 2.78Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 2.78Å
32	R	94.8	Very high	95.5	Very high	56 Å²	56	49.7 Å²	49.7	21%	0.211	28%	0.283	C	S	.	.			trans	-86.9	149.6	170.5	-68.6	-177.8	-178.8	133.5	-11.2	110.5	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.87Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.04Å; R32-Q35 PolarHBondContact O-N 2.83Å; R32-E38 IonicContact CZ-OE1 2.56Å; R32-E38 IonicContact NH1-OE1 2.82Å; R32-E38 PolarHBondContact NH1-OE1 3.44Å; R32-E81 PolarHBondContact NE-O 2.94Å; R32-E81 PolarHBondContact NH2-O 2.92Å; R32-A84 HydrophobicContact CG-CB 4.14Å
33	P	90.6	Very high	95.6	Very high	117 Å²	117	47.2 Å²	47.2	76%	0.76	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	126.9	173.5	-25.1	34.4	0	0	0	111.4	Q35	P33-Q35 PolarHBondContact O-N 3.04Å
34	G	91.6	Very high	95.8	Very high	96 Å²	96	47.5 Å²	47.5	99%	0.99	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	5.7	-179.9	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.87Å
35	Q	93	Very high	95.9	Very high	101 Å²	101	42.8 Å²	42.8	47%	0.472	24%	0.243	S	C	.	.	S	Bend	trans	-115.1	163	176.1	-57.1	-171.9	8	0	0	111.5	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.04Å; R32-Q35 PolarHBondContact O-N 2.83Å; P33-Q35 PolarHBondContact O-N 3.04Å
36	G	93.3	Very high	95.9	Very high	55 Å²	55	40.6 Å²	40.6	57%	0.567	25%	0.249	S	C	*	.			trans	-68.4	175.5	173.9	0	0	0	0	0	113.3
37	L	95.1	Very high	95.9	Very high	95 Å²	95	44.1 Å²	44.1	50%	0.497	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.8	173.4	-64.1	176.8	0	0	0	110.3	V29 Q31 W95	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; Q31-L37 HydrophobicContact CB-CD2 3.84Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; L37-W95 HydrophobicContact CD1-CH2 3.85Å; L37-W95 HydrophobicContact CD1-CZ2 4.39Å; L37-W95 HydrophobicContact CD1-CZ3 4.46Å
38	E	96.4	Very high	95.8	Very high	35 Å²	35	45.8 Å²	45.8	16%	0.164	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.3	175	-63.9	-171.5	-101.4	0	0	109.5	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.45Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 3.09Å; R32-E38 IonicContact CZ-OE1 2.56Å; R32-E38 IonicContact NH1-OE1 2.82Å; R32-E38 PolarHBondContact NH1-OE1 3.44Å; E38-I40 PolarHBondContact O-N 3.29Å; E38-F56 HydrophobicContact CB-CE2 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.35Å
39	W	96.8	Very high	95.8	Very high	77 Å²	77	48.5 Å²	48.5	29%	0.292	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.9	174.1	178.3	77.3	0	0	0	110.6	G41 N51 Y52 N53	W39-G41 VanDerWaalsContact CZ2-CA 3.45Å; W39-N51 HydrophobicContact CH2-CB 4.06Å; W39-N51 HydrophobicContact CZ2-CB 4.24Å; W39-Y52 VanDerWaalsContact CZ3-C 3.49Å; W39-N53 HydrophobicContact CE3-CB 3.6Å; W39-N53 HydrophobicContact CZ3-CB 3.74Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.3Å; W39-N53 PolarHBondContact O-ND2 3.25Å
40	I	97.6	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-46	179.4	-68.2	162.5	0	0	0	110.5	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.37Å; W28-I40 WeakPolarHBondContact O-CB 3.24Å; W28-I40 PolarHBondContact O-N 2.93Å; K30-I40 HydrophobicContact CB-CD1 3.95Å; K30-I40 HydrophobicContact CB-CG1 4.25Å; E38-I40 PolarHBondContact O-N 3.29Å; I40-N53 WeakPolarHBondContact O-CB 2.98Å; I40-N53 PolarHBondContact O-N 3.09Å; I40-F56 HydrophobicContact CB-CD2 4.38Å; I40-F56 HydrophobicContact CB-CG 4.32Å; I40-F56 HydrophobicContact CG1-CD1 4.07Å; I40-F56 HydrophobicContact CG1-CD2 4.12Å; I40-F56 HydrophobicContact CG1-CE1 4.15Å; I40-F56 HydrophobicContact CG1-CE2 4.18Å; I40-F56 HydrophobicContact CG1-CG 4.05Å; I40-F56 HydrophobicContact CG1-CZ 4.2Å; I40-F56 HydrophobicContact CG2-CB 3.86Å; I40-F56 HydrophobicContact CG2-CG 4.09Å; I40-A60 HydrophobicContact CG2-CB 3.76Å; I40-M73 HydrophobicContact CD1-CE 4.36Å; I40-M73 HydrophobicContact CD1-SD 3.72Å; I40-M73 HydrophobicContact CG2-SD 4.09Å; I40-Y86 HydrophobicContact CD1-CD1 3.67Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å
41	G	97.5	Very high	95.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.3	176.2	-170.3	0	0	0	0	0	111.4	W28 W39 N51	W28-G41 PolarHBondContact N-O 2.81Å; W39-G41 VanDerWaalsContact CZ2-CA 3.45Å; G41-N51 CarbonylContact C-O 3.58Å; G41-N51 WeakPolarHBondContact CA-O 3.44Å
42	D	97.3	Very high	95.9	Very high	18 Å²	18	54.1 Å²	54.1	10%	0.096	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	159.4	173.1	53.9	41.9	0	0	0	111.9	W25 I26 T50 N51 L62	W25-D42 HydrophobicContact CE3-CB 3.89Å; W25-D42 WeakPolarHBondContact CZ3-OD1 3.28Å; I26-D42 CarbonylContact O-C 3.53Å; I26-D42 WeakPolarHBondContact O-CA 3.33Å; I26-D42 WeakPolarHBondContact O-CB 3.08Å; D42-T50 VanDerWaalsContact O-CA 3.27Å; D42-T50 WeakPolarHBondContact O-CA 3.45Å; D42-N51 PolarHBondContact N-O 2.93Å; D42-N51 PolarHBondContact O-N 2.82Å; D42-N51 VanDerWaalsContact OD1-CB 3.29Å; D42-N51 WeakPolarHBondContact OD1-CB 3.44Å; D42-N51 PolarHBondContact OD1-ND2 2.78Å; D42-L62 WeakPolarHBondContact O-CD1 3.15Å
43	I	97.8	Very high	96	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.1	177.1	-174.5	157.8	0	0	0	109.7	I26 P45 S49 T50 L62 V64 A71	I26-I43 HydrophobicContact CB-CG2 4.14Å; I26-I43 PolarHBondContact N-O 2.95Å; I26-I43 PolarHBondContact O-N 2.83Å; I43-P45 WeakPolarHBondContact O-CD 3.19Å; I43-S49 CarbonylContact C-O 3.59Å; I43-S49 WeakPolarHBondContact CA-O 3.41Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.61Å; I43-T50 HydrophobicContact CG1-CG2 3.72Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CB-CD1 4.41Å; I43-L62 HydrophobicContact CD1-CB 4.16Å; I43-L62 HydrophobicContact CG2-CB 4.47Å; I43-V64 HydrophobicContact CB-CG1 4.5Å; I43-V64 HydrophobicContact CD1-CB 4.38Å; I43-V64 HydrophobicContact CD1-CG1 3.68Å; I43-V64 HydrophobicContact CD1-CG2 4.16Å; I43-V64 HydrophobicContact CG1-CG1 3.82Å; I43-V64 HydrophobicContact CG2-CG1 3.86Å; I43-A71 HydrophobicContact CG2-CB 4.35Å
44	Y	97.3	Very high	96.3	Very high	65 Å²	65	54.2 Å²	54.2	26%	0.255	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	107.1	173.5	-169.7	-110.2	0	0	0	109.5	T22 W25 G46 S47 G48 S49	T22-Y44 PolarHBondContact O-OH 3.45Å; W25-Y44 AromaticContact CD1-CD2 3.75Å; W25-Y44 AromaticContact CD2-CD2 3.96Å; W25-Y44 HydrophobicContact CD2-CD2 3.96Å; W25-Y44 HydrophobicContact CD2-CG 4.27Å; W25-Y44 AromaticContact CE2-CD2 3.83Å; W25-Y44 VanDerWaalsContact CE3-N 3.3Å; W25-Y44 AromaticContact CG-CD2 3.92Å; W25-Y44 HydrophobicContact CG-CD2 3.92Å; W25-Y44 HydrophobicContact CZ2-CD2 4.49Å; W25-Y44 HydrophobicContact CZ2-CG 4.24Å; W25-Y44 AromaticContact NE1-CD2 3.67Å; Y44-G46 PolarHBondContact O-N 3.04Å; Y44-G46 VanDerWaalsContact O-N 3.15Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.44Å; Y44-S47 PolarHBondContact O-N 2.95Å; Y44-G48 WeakPolarHBondContact O-CA 3.11Å; Y44-G48 PolarHBondContact O-N 2.92Å; Y44-S49 PolarHBondContact N-O 2.81Å
45	P	96.6	Very high	96.4	Very high	6 Å²	6	56.9 Å²	56.9	4%	0.039	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.5	-171.6	-19	32	0	0	0	114	F21 Y24 I26 I43 V64 T66	F21-P45 HydrophobicContact CD1-CB 3.79Å; F21-P45 HydrophobicContact CD1-CG 4.14Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.47Å; F21-P45 VanDerWaalsContact CE1-CB 3.47Å; F21-P45 HydrophobicContact CE1-CG 3.73Å; F21-P45 HydrophobicContact CE2-CB 4.45Å; F21-P45 HydrophobicContact CE2-CG 3.8Å; F21-P45 HydrophobicContact CG-CB 4.41Å; F21-P45 HydrophobicContact CG-CG 4.37Å; F21-P45 HydrophobicContact CZ-CB 3.84Å; F21-P45 HydrophobicContact CZ-CG 3.55Å; F21-P45 WeakPolarHBondContact O-CG 3.07Å; Y24-P45 WeakPolarHBondContact O-CD 3.21Å; I26-P45 HydrophobicContact CG1-CG 3.83Å; I43-P45 WeakPolarHBondContact O-CD 3.19Å; P45-V64 HydrophobicContact CB-CB 4.28Å; P45-V64 HydrophobicContact CB-CG1 3.89Å; P45-V64 HydrophobicContact CB-CG2 4.44Å; P45-V64 HydrophobicContact CG-CG1 3.97Å; P45-T66 WeakPolarHBondContact O-CG2 3.17Å
46	G	96.2	Very high	96.6	Very high	48 Å²	48	52.7 Å²	52.7	50%	0.495	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-28	178.3	0	0	0	0	0	114.6	T22 Y44	T22-G46 VanDerWaalsContact O-CA 3.3Å; T22-G46 WeakPolarHBondContact O-CA 3.41Å; T22-G46 PolarHBondContact O-N 2.93Å; Y44-G46 PolarHBondContact O-N 3.04Å; Y44-G46 VanDerWaalsContact O-N 3.15Å
47	S	96.3	Very high	96.6	Very high	76 Å²	76	55.4 Å²	55.4	53%	0.531	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-14.4	179.6	66.1	0	0	0	0	113.8	Y44 S49	Y44-S47 WeakPolarHBondContact CD1-OG 3.44Å; Y44-S47 PolarHBondContact O-N 2.95Å; S47-S49 PolarHBondContact O-N 3.5Å; S47-S49 VanDerWaalsContact OG-CB 3.29Å; S47-S49 WeakPolarHBondContact OG-CB 3.17Å; S47-S49 PolarHBondContact OG-N 2.56Å; S47-S49 PolarHBondContact OG-OG 2.77Å
48	G	95.7	Very high	96.6	Very high	37 Å²	37	56.3 Å²	56.3	38%	0.381	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	6.5	-169.7	0	0	0	0	0	114	Y44	Y44-G48 WeakPolarHBondContact O-CA 3.11Å; Y44-G48 PolarHBondContact O-N 2.92Å
49	S	97.4	Very high	96.6	Very high	62 Å²	62	56.5 Å²	56.5	43%	0.434	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	139.3	177.2	-60.3	0	0	0	0	110.6	W25 I43 Y44 S47	W25-S49 WeakPolarHBondContact CZ3-O 3.39Å; I43-S49 CarbonylContact C-O 3.59Å; I43-S49 WeakPolarHBondContact CA-O 3.41Å; Y44-S49 PolarHBondContact N-O 2.81Å; S47-S49 PolarHBondContact O-N 3.5Å; S47-S49 VanDerWaalsContact OG-CB 3.29Å; S47-S49 WeakPolarHBondContact OG-CB 3.17Å; S47-S49 PolarHBondContact OG-N 2.56Å; S47-S49 PolarHBondContact OG-OG 2.77Å
50	T	97.9	Very high	96.6	Very high	56 Å²	56	53 Å²	53	34%	0.344	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.7	-178.3	49.2	0	0	0	0	111.2	D42 I43 Y52 L62	D42-T50 VanDerWaalsContact O-CA 3.27Å; D42-T50 WeakPolarHBondContact O-CA 3.45Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.61Å; I43-T50 HydrophobicContact CG1-CG2 3.72Å; T50-Y52 HydrophobicContact CG2-CE2 4.48Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.3Å; T50-L62 HydrophobicContact CG2-CB 4.01Å
51	N	97.5	Very high	96.6	Very high	79 Å²	79	56.4 Å²	56.4	42%	0.422	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.7	164.7	-53.6	-64.4	0	0	0	109.5	W25 W39 G41 D42	W25-N51 WeakPolarHBondContact CH2-ND2 3.27Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.44Å; W39-N51 HydrophobicContact CH2-CB 4.06Å; W39-N51 HydrophobicContact CZ2-CB 4.24Å; G41-N51 CarbonylContact C-O 3.58Å; G41-N51 WeakPolarHBondContact CA-O 3.44Å; D42-N51 PolarHBondContact N-O 2.93Å; D42-N51 PolarHBondContact O-N 2.82Å; D42-N51 VanDerWaalsContact OD1-CB 3.29Å; D42-N51 WeakPolarHBondContact OD1-CB 3.44Å; D42-N51 PolarHBondContact OD1-ND2 2.78Å
52	Y	97.9	Very high	96.7	Very high	54 Å²	54	56.8 Å²	56.8	21%	0.212	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147	-179.4	-67.9	-87.6	0	0	0	110.6	W39 T50 K57 A60 L62	W39-Y52 VanDerWaalsContact CZ3-C 3.49Å; T50-Y52 HydrophobicContact CG2-CE2 4.48Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.3Å; Y52-K57 HydrophobicContact CG-CG 4.34Å; Y52-A60 HydrophobicContact CE1-CB 4.48Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.03Å; Y52-L62 HydrophobicContact CE1-CD1 4.1Å; Y52-L62 HydrophobicContact CE1-CG 3.73Å; Y52-L62 PolarHBondContact OH-N 3.17Å
53	N	97.1	Very high	96.7	Very high	43 Å²	43	58.7 Å²	58.7	23%	0.23	33%	0.334	C	S	.	.			trans	-73	131.7	156.7	-174.8	-29.9	0	0	0	108.4	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.6Å; W39-N53 HydrophobicContact CZ3-CB 3.74Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.3Å; W39-N53 PolarHBondContact O-ND2 3.25Å; I40-N53 WeakPolarHBondContact O-CB 2.98Å; I40-N53 PolarHBondContact O-N 3.09Å; N53-K55 PolarHBondContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å; N53-F56 HydrophobicContact CB-CD2 3.98Å; N53-F56 PolarHBondContact O-N 2.84Å; N53-K57 PolarHBondContact O-N 2.85Å; N53-K57 VanDerWaalsContact O-N 3.11Å
54	E	96.1	Very high	96.7	Very high	133 Å²	133	60.5 Å²	60.5	62%	0.621	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.4	-178.8	-69.2	-60.8	146.8	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 3.33Å; E54-K57 IonicContact OE1-NZ 3.68Å; E54-K57 PolarHBondContact OE1-NZ 2.83Å; E54-K57 VanDerWaalsContact OE2-CD 3.3Å; E54-K57 WeakPolarHBondContact OE2-CD 2.96Å; E54-K57 IonicContact OE2-NZ 3.22Å; E54-K57 PolarHBondContact OE2-NZ 2.83Å
55	K	94.2	Very high	96.7	Very high	151 Å²	151	60 Å²	60	66%	0.657	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.1	175.3	-68.9	-176.4	178.9	-179.8	0	114.2	N53	N53-K55 PolarHBondContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å
56	F	95.9	Very high	96.6	Very high	13 Å²	13	63.3 Å²	63.3	6%	0.057	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-8.2	-172.8	-63.3	-83.1	0	0	0	113.2	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 4.07Å; E38-F56 HydrophobicContact CB-CE2 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.35Å; I40-F56 HydrophobicContact CB-CD2 4.38Å; I40-F56 HydrophobicContact CB-CG 4.32Å; I40-F56 HydrophobicContact CG1-CD1 4.07Å; I40-F56 HydrophobicContact CG1-CD2 4.12Å; I40-F56 HydrophobicContact CG1-CE1 4.15Å; I40-F56 HydrophobicContact CG1-CE2 4.18Å; I40-F56 HydrophobicContact CG1-CG 4.05Å; I40-F56 HydrophobicContact CG1-CZ 4.2Å; I40-F56 HydrophobicContact CG2-CB 3.86Å; I40-F56 HydrophobicContact CG2-CG 4.09Å; N53-F56 HydrophobicContact CB-CD2 3.98Å; N53-F56 PolarHBondContact O-N 2.84Å; E54-F56 PolarHBondContact O-N 3.33Å; F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 3.06Å; F56-K59 PolarHBondContact O-N 2.81Å; F56-A60 HydrophobicContact CB-CB 4.34Å; F56-A60 PolarHBondContact O-N 3.46Å
57	K	94.4	Very high	96.6	Very high	113 Å²	113	66.2 Å²	66.2	49%	0.491	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.8	-173.8	-167.7	177.4	-169.8	173.4	0	114.4	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.34Å; N53-K57 PolarHBondContact O-N 2.85Å; N53-K57 VanDerWaalsContact O-N 3.11Å; E54-K57 IonicContact OE1-NZ 3.68Å; E54-K57 PolarHBondContact OE1-NZ 2.83Å; E54-K57 VanDerWaalsContact OE2-CD 3.3Å; E54-K57 WeakPolarHBondContact OE2-CD 2.96Å; E54-K57 IonicContact OE2-NZ 3.22Å; E54-K57 PolarHBondContact OE2-NZ 2.83Å
58	S	94.8	Very high	96.6	Very high	113 Å²	113	64.4 Å²	64.4	79%	0.79	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.8	175.8	58.3	0	0	0	0	113.8	F56	F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 3.06Å
59	K	95.6	Very high	96.6	Very high	40 Å²	40	64.7 Å²	64.7	17%	0.174	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-36.8	-168	-161.3	167.1	-166.4	170.4	0	113.4	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.81Å; K59-L75 WeakPolarHBondContact O-CA 3.36Å; K59-S76 WeakPolarHBondContact CE-O 3.46Å; K59-S76 VanDerWaalsContact CG-O 3.3Å; K59-S76 WeakPolarHBondContact CG-O 3.39Å; K59-S76 PolarHBondContact O-N 2.82Å; K59-S76 PolarHBondContact O-OG 2.84Å; K59-D82 WeakPolarHBondContact CE-OD1 3.25Å; K59-D82 WeakPolarHBondContact CE-OD2 3.17Å; K59-D82 IonicContact NZ-OD1 2.81Å; K59-D82 PolarHBondContact NZ-OD1 2.94Å; K59-D82 IonicContact NZ-OD2 3.4Å; K59-D82 PolarHBondContact NZ-OD2 2.97Å
60	A	97.7	Very high	96.6	Very high	3 Å²	3	62.1 Å²	62.1	3%	0.025	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.3	-177.2	0	0	0	0	0	111.1	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.76Å; Y52-A60 HydrophobicContact CE1-CB 4.48Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.03Å; F56-A60 HydrophobicContact CB-CB 4.34Å; F56-A60 PolarHBondContact O-N 3.46Å; A60-M73 HydrophobicContact CB-CG 4.46Å; A60-Q74 CarbonylContact C-O 3.39Å; A60-Q74 WeakPolarHBondContact CA-O 3.44Å; A60-L75 HydrophobicContact CB-CD2 3.86Å
61	T	98.2	Very high	96.6	Very high	71 Å²	71	59.4 Å²	59.4	44%	0.436	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.2	170	-57.1	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.33Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; T61-Q74 PolarHBondContact N-O 2.76Å; T61-Q74 PolarHBondContact O-N 2.03Å
62	L	98.3	Very high	96.6	Very high	9 Å²	9	58.1 Å²	58.1	5%	0.047	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.6	178.2	-53.4	-175.4	0	0	0	110.6	W28 D42 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.09Å; D42-L62 WeakPolarHBondContact O-CD1 3.15Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CB-CD1 4.41Å; I43-L62 HydrophobicContact CD1-CB 4.16Å; I43-L62 HydrophobicContact CG2-CB 4.47Å; T50-L62 HydrophobicContact CG2-CB 4.01Å; Y52-L62 HydrophobicContact CE1-CD1 4.1Å; Y52-L62 HydrophobicContact CE1-CG 3.73Å; Y52-L62 PolarHBondContact OH-N 3.17Å; L62-Y72 WeakPolarHBondContact CA-O 2.98Å; L62-M73 HydrophobicContact CD2-CB 3.73Å; L62-M73 HydrophobicContact CD2-CG 3.68Å; L62-M73 HydrophobicContact CD2-SD 4.47Å
63	T	98.1	Very high	96.6	Very high	57 Å²	57	55.6 Å²	55.6	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	162.7	177.6	55.2	0	0	0	0	110.7	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.33Å; T63-Y72 PolarHBondContact N-O 3.11Å; T63-Y72 PolarHBondContact O-N 3.23Å
64	V	97.6	Very high	96.7	Very high	42 Å²	42	57.5 Å²	57.5	26%	0.255	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.5	177.4	-72.7	0	0	0	0	110.6	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.46Å; F21-V64 HydrophobicContact CE1-CG1 4.43Å; F21-V64 HydrophobicContact CZ-CG1 4.18Å; I43-V64 HydrophobicContact CB-CG1 4.5Å; I43-V64 HydrophobicContact CD1-CB 4.38Å; I43-V64 HydrophobicContact CD1-CG1 3.68Å; I43-V64 HydrophobicContact CD1-CG2 4.16Å; I43-V64 HydrophobicContact CG1-CG1 3.82Å; I43-V64 HydrophobicContact CG2-CG1 3.86Å; P45-V64 HydrophobicContact CB-CB 4.28Å; P45-V64 HydrophobicContact CB-CG1 3.89Å; P45-V64 HydrophobicContact CB-CG2 4.44Å; P45-V64 HydrophobicContact CG-CG1 3.97Å; V64-A71 HydrophobicContact CG1-CB 4.08Å
65	D	96.9	Very high	96.7	Very high	55 Å²	55	51.2 Å²	51.2	29%	0.294	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	104.6	164.2	174.7	7.2	0	0	0	107.8	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.24Å; D65-S67 PolarHBondContact OD1-N 2.8Å; D65-S67 PolarHBondContact OD1-OG 2.9Å; D65-S68 PolarHBondContact OD1-N 3.26Å; D65-S68 WeakPolarHBondContact OD2-CB 3.35Å; D65-S68 PolarHBondContact OD2-OG 3.03Å; D65-S69 WeakPolarHBondContact O-CA 3.4Å; D65-S69 PolarHBondContact O-N 3.33Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.88Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å
66	T	95.5	Very high	96.8	Very high	75 Å²	75	45.6 Å²	45.6	46%	0.46	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.9	-178	53.3	0	0	0	0	112.1	T22 P45 S69	T22-T66 HydrophobicContact CG2-CG2 3.89Å; P45-T66 WeakPolarHBondContact O-CG2 3.17Å; T66-S69 PolarHBondContact O-N 3.37Å
67	S	94.9	Very high	96.8	Very high	108 Å²	108	48.9 Å²	48.9	76%	0.755	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-38	178.7	75.9	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.24Å; D65-S67 PolarHBondContact OD1-N 2.8Å; D65-S67 PolarHBondContact OD1-OG 2.9Å
68	S	96.4	Very high	96.9	Very high	38 Å²	38	43.5 Å²	43.5	27%	0.266	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	2.4	176.2	68.1	0	0	0	0	113.6	D65 T70	D65-S68 PolarHBondContact OD1-N 3.26Å; D65-S68 WeakPolarHBondContact OD2-CB 3.35Å; D65-S68 PolarHBondContact OD2-OG 3.03Å; S68-T70 PolarHBondContact O-N 2.82Å; S68-T70 PolarHBondContact O-OG1 2.84Å; S68-T70 WeakPolarHBondContact OG-CB 3.48Å; S68-T70 PolarHBondContact OG-OG1 3.19Å
69	S	96.5	Very high	96.9	Very high	43 Å²	43	40.8 Å²	40.8	30%	0.301	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	44.4	-174.7	-63.4	0	0	0	0	113	A16 F21 D65 T66	A16-S69 WeakPolarHBondContact CB-O 3.19Å; A16-S69 PolarHBondContact N-O 3.27Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 WeakPolarHBondContact O-CA 3.4Å; D65-S69 PolarHBondContact O-N 3.33Å; T66-S69 PolarHBondContact O-N 3.37Å
70	T	97.6	Very high	96.8	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.7	-174.4	-55.5	0	0	0	0	110.9	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.33Å; K15-T70 HydrophobicContact CB-CG2 4.47Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.88Å; S68-T70 PolarHBondContact O-N 2.82Å; S68-T70 PolarHBondContact O-OG1 2.84Å; S68-T70 WeakPolarHBondContact OG-CB 3.48Å; S68-T70 PolarHBondContact OG-OG1 3.19Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.33Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.72Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.43Å
71	A	97.4	Very high	96.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	150.2	167.4	0	0	0	0	0	109.7	S13 C14 F21 I26 W28 I43 V64	S13-A71 CarbonylContact C-O 3.5Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; C14-A71 HydrophobicContact CB-CB 4.39Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.99Å; F21-A71 HydrophobicContact CE2-CB 4.33Å; F21-A71 HydrophobicContact CZ-CB 3.98Å; I26-A71 HydrophobicContact CB-CB 4.16Å; I26-A71 HydrophobicContact CG1-CB 4.24Å; I26-A71 HydrophobicContact CG2-CB 3.8Å; W28-A71 HydrophobicContact CZ2-CB 4.41Å; I43-A71 HydrophobicContact CG2-CB 4.35Å; V64-A71 HydrophobicContact CG1-CB 4.08Å
72	Y	97.9	Very high	96.4	Very high	52 Å²	52	45.4 Å²	45.4	20%	0.204	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.1	177.7	-56.4	-89.6	0	0	0	111.1	K11 M12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.35Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 VanDerWaalsContact CE-CG 3.4Å; K11-Y72 HydrophobicContact CG-CD1 4.26Å; M12-Y72 CarbonylContact O-C 3.49Å; M12-Y72 WeakPolarHBondContact O-CA 3.36Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å; L62-Y72 WeakPolarHBondContact CA-O 2.98Å; T63-Y72 PolarHBondContact N-O 3.11Å; T63-Y72 PolarHBondContact O-N 3.23Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.33Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.72Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.43Å
73	M	98	Very high	96.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.5	166.6	176.5	-174.7	68.4	0	0	108.2	M12 W28 I40 A60 T61 L62 L75 Y86	M12-M73 HydrophobicContact CG-CE 4.28Å; M12-M73 PolarHBondContact N-O 2.81Å; M12-M73 PolarHBondContact O-N 3.4Å; M12-M73 HydrophobicContact SD-CE 3.44Å; M12-M73 WeakPolarHBondContact SD-CE 3.47Å; W28-M73 HydrophobicContact CB-SD 4.01Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.14Å; W28-M73 HydrophobicContact CE3-CB 3.9Å; W28-M73 HydrophobicContact CE3-CE 3.91Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.12Å; W28-M73 HydrophobicContact CH2-CB 4.12Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.13Å; W28-M73 HydrophobicContact CZ3-CE 4.3Å; I40-M73 HydrophobicContact CD1-CE 4.36Å; I40-M73 HydrophobicContact CD1-SD 3.72Å; I40-M73 HydrophobicContact CG2-SD 4.09Å; A60-M73 HydrophobicContact CB-CG 4.46Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; L62-M73 HydrophobicContact CD2-CB 3.73Å; L62-M73 HydrophobicContact CD2-CG 3.68Å; L62-M73 HydrophobicContact CD2-SD 4.47Å; M73-L75 HydrophobicContact CE-CD1 3.81Å; M73-L75 HydrophobicContact CE-CD2 4.33Å; M73-L75 HydrophobicContact CE-CG 3.94Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.29Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.21Å; M73-Y86 HydrophobicContact CE-CG 4.15Å
74	Q	97.9	Very high	96.2	Very high	84 Å²	84	44.3 Å²	44.3	39%	0.393	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.7	170	-177.3	173.9	-8.9	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.24Å; V10-Q74 WeakPolarHBondContact O-CA 3.39Å; A60-Q74 CarbonylContact C-O 3.39Å; A60-Q74 WeakPolarHBondContact CA-O 3.44Å; T61-Q74 PolarHBondContact N-O 2.76Å; T61-Q74 PolarHBondContact O-N 2.03Å
75	L	97.3	Very high	96.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.4	170.8	-63.7	168	0	0	0	108.6	S9 V10 M12 K59 A60 M73 L78 Y86 L101	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.14Å; S9-L75 WeakPolarHBondContact CB-O 3.48Å; V10-L75 HydrophobicContact CG1-CB 3.89Å; V10-L75 HydrophobicContact CG1-CD1 4.23Å; V10-L75 HydrophobicContact CG1-CG 4.48Å; V10-L75 PolarHBondContact N-O 3.04Å; V10-L75 PolarHBondContact O-N 2.88Å; M12-L75 HydrophobicContact SD-CD1 4.38Å; K59-L75 WeakPolarHBondContact O-CA 3.36Å; A60-L75 HydrophobicContact CB-CD2 3.86Å; M73-L75 HydrophobicContact CE-CD1 3.81Å; M73-L75 HydrophobicContact CE-CD2 4.33Å; M73-L75 HydrophobicContact CE-CG 3.94Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.29Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CD1-CD2 4.36Å; L75-Y86 HydrophobicContact CD1-CD1 4.18Å; L75-Y86 HydrophobicContact CD1-CE1 3.52Å; L75-Y86 HydrophobicContact CD1-CE2 4.2Å; L75-L101 HydrophobicContact CD1-CD2 4.19Å
76	S	96.5	Very high	96.3	Very high	33 Å²	33	41.4 Å²	41.4	23%	0.231	25%	0.251	C	S	.	.			trans	-114.2	160.9	-180	63.6	0	0	0	0	112.2	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.43Å; K59-S76 WeakPolarHBondContact CE-O 3.46Å; K59-S76 VanDerWaalsContact CG-O 3.3Å; K59-S76 WeakPolarHBondContact CG-O 3.39Å; K59-S76 PolarHBondContact O-N 2.82Å; K59-S76 PolarHBondContact O-OG 2.84Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.86Å
77	S	95.5	Very high	96.3	Very high	81 Å²	81	40.1 Å²	40.1	57%	0.566	24%	0.238	S	C	*	.	S	Bend	trans	50	53.1	175.5	-52.9	0	0	0	0	112.7	A8	A8-S77 PolarHBondContact O-N 2.81Å
78	L	95.8	Very high	96.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.207	C	C	.	.			trans	-64.3	141.7	-172.7	-69.3	172.5	0	0	0	112.4	V4 P6 G7 A8 V10 L75 S76 D82 L101 V103	V4-L78 HydrophobicContact CB-CD1 4.5Å; V4-L78 HydrophobicContact CG2-CD1 3.56Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.29Å; G7-L78 PolarHBondContact N-O 2.91Å; A8-L78 WeakPolarHBondContact O-CB 3.13Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.27Å; A8-L78 PolarHBondContact O-N 2.98Å; V10-L78 HydrophobicContact CB-CD1 4.14Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-L78 HydrophobicContact CG1-CD2 4.42Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CD1-CD2 4.36Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.86Å; L78-D82 VanDerWaalsContact CA-OD2 3.28Å; L78-D82 WeakPolarHBondContact CA-OD2 3.48Å; L78-D82 HydrophobicContact CD2-CB 3.81Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.23Å; L78-L101 HydrophobicContact CD1-CD2 4.24Å; L78-L101 HydrophobicContact CD2-CD2 4.02Å; L78-V103 HydrophobicContact CB-CG1 4.35Å; L78-V103 HydrophobicContact CB-CG2 4.03Å; L78-V103 HydrophobicContact CD1-CG2 4.46Å
79	T	95.1	Very high	96.3	Very high	56 Å²	56	34 Å²	34	34%	0.344	20%	0.195	S	C	.	.			trans	-125.2	167.2	175.3	65.3	0	0	0	0	109.8	E81 D82 V103	T79-E81 PolarHBondContact O-N 2.83Å; T79-E81 VanDerWaalsContact O-N 3.09Å; T79-D82 PolarHBondContact N-OD2 2.99Å; T79-D82 WeakPolarHBondContact O-CB 3.47Å; T79-D82 PolarHBondContact O-N 2.96Å; T79-D82 PolarHBondContact OG1-OD2 2.88Å; T79-V103 WeakPolarHBondContact O-CB 3.3Å; T79-V103 WeakPolarHBondContact O-CG2 3.49Å
80	S	93.5	Very high	96.1	Very high	76 Å²	76	33.8 Å²	33.8	53%	0.531	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-53.5	-31.8	176.9	52.8	0	0	0	0	112.9	D82 S83	S80-D82 PolarHBondContact O-N 2.88Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 PolarHBondContact O-OG 2.88Å
81	E	92.2	Very high	95.1	Very high	130 Å²	130	35.2 Å²	35.2	61%	0.607	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-66.9	-13.9	177	-60.8	-173.6	173.5	0	0	114.7	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.84Å; R32-E81 PolarHBondContact NE-O 2.94Å; R32-E81 PolarHBondContact NH2-O 2.92Å; T79-E81 PolarHBondContact O-N 2.83Å; T79-E81 VanDerWaalsContact O-N 3.09Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82	D	95	Very high	94	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-83.6	-8	173	-58.5	-47.3	0	0	0	113.1	K30 K59 L78 T79 S80 A84 Y86 V103	K30-D82 IonicContact NZ-OD1 3.85Å; K59-D82 WeakPolarHBondContact CE-OD1 3.25Å; K59-D82 WeakPolarHBondContact CE-OD2 3.17Å; K59-D82 IonicContact NZ-OD1 2.81Å; K59-D82 PolarHBondContact NZ-OD1 2.94Å; K59-D82 IonicContact NZ-OD2 3.4Å; K59-D82 PolarHBondContact NZ-OD2 2.97Å; L78-D82 VanDerWaalsContact CA-OD2 3.28Å; L78-D82 WeakPolarHBondContact CA-OD2 3.48Å; L78-D82 HydrophobicContact CD2-CB 3.81Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.23Å; T79-D82 PolarHBondContact N-OD2 2.99Å; T79-D82 WeakPolarHBondContact O-CB 3.47Å; T79-D82 PolarHBondContact O-N 2.96Å; T79-D82 PolarHBondContact OG1-OD2 2.88Å; S80-D82 PolarHBondContact O-N 2.88Å; D82-A84 PolarHBondContact O-N 3.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.47Å; D82-Y86 PolarHBondContact O-OH 2.82Å; D82-V103 HydrophobicContact CB-CG2 4.2Å
83	S	96.4	Very high	93.2	Very high	37 Å²	37	45.1 Å²	45.1	26%	0.259	25%	0.252	S	S	.	.			trans	-63	113	174.3	-56.3	0	0	0	0	109.9	S80 E81 L101 V103	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 PolarHBondContact O-OG 2.88Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-L101 CarbonylContact C-O 3.59Å; S83-L101 VanDerWaalsContact CA-O 3.27Å; S83-L101 WeakPolarHBondContact CA-O 3.41Å; S83-V103 PolarHBondContact OG-N 3.07Å
84	A	97.1	Very high	92.8	Very high	6 Å²	6	52 Å²	52	5%	0.05	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	172.5	-170.2	0	0	0	0	0	110.6	K30 Q31 R32 D82 Y86 L101	K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.61Å; Q31-A84 WeakPolarHBondContact O-CB 3.39Å; R32-A84 HydrophobicContact CG-CB 4.14Å; D82-A84 PolarHBondContact O-N 3.25Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-L101 PolarHBondContact N-O 2.61Å; A84-L101 PolarHBondContact O-N 3.14Å
85	V	97.5	Very high	92.6	Very high	35 Å²	35	52.9 Å²	52.9	21%	0.212	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.5	161.8	-170.5	0	0	0	0	108.4	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.82Å; Q31-V85 PolarHBondContact O-N 2.78Å; V85-Y87 HydrophobicContact CB-CE2 3.85Å; V85-Y87 HydrophobicContact CG1-CD1 4.46Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.8Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.49Å
86	Y	97.6	Very high	92.3	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.2	176.9	-67.4	-96.1	0	0	0	109.8	M12 V29 K30 I40 M73 L75 D82 A84 G98 T99 L101	M12-Y86 HydrophobicContact CE-CD2 4.17Å; M12-Y86 HydrophobicContact CE-CG 4.15Å; M12-Y86 HydrophobicContact SD-CD2 4.14Å; M12-Y86 HydrophobicContact SD-CG 3.91Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.97Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.8Å; I40-Y86 HydrophobicContact CD1-CD1 3.67Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.21Å; M73-Y86 HydrophobicContact CE-CG 4.15Å; L75-Y86 HydrophobicContact CD1-CD1 4.18Å; L75-Y86 HydrophobicContact CD1-CE1 3.52Å; L75-Y86 HydrophobicContact CD1-CE2 4.2Å; D82-Y86 WeakPolarHBondContact O-CE2 3.47Å; D82-Y86 PolarHBondContact O-OH 2.82Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G98 CarbonylContact O-C 3.48Å; Y86-G98 WeakPolarHBondContact O-CA 3.29Å; Y86-T99 PolarHBondContact N-O 3.38Å; Y86-T99 PolarHBondContact O-N 2.8Å; Y86-L101 HydrophobicContact CD2-CB 3.94Å; Y86-L101 HydrophobicContact CD2-CD2 4.41Å; Y86-L101 HydrophobicContact CE2-CB 3.8Å; Y86-L101 HydrophobicContact CE2-CD2 3.72Å; Y86-L101 HydrophobicContact CE2-CG 4.39Å
87	Y	97.1	Very high	92.2	Very high	47 Å²	47	61.9 Å²	61.9	18%	0.184	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.1	-179.6	-56.3	-89.1	0	0	0	110.1	W28 V29 Q31 V85 W95	W28-Y87 WeakPolarHBondContact CA-O 3.5Å; V29-Y87 PolarHBondContact N-O 3.15Å; V29-Y87 PolarHBondContact O-N 2.97Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 2.78Å; V85-Y87 HydrophobicContact CB-CE2 3.85Å; V85-Y87 HydrophobicContact CG1-CD1 4.46Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.8Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.49Å; Y87-W95 HydrophobicContact CD1-CE3 4.49Å; Y87-W95 HydrophobicContact CG-CE3 4.08Å; Y87-W95 HydrophobicContact CG-CZ3 4.28Å
88	C	96.3	Very high	92.1	Very high	15 Å²	15	59.3 Å²	59.3	10%	0.101	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	149.4	157.8	66.2	0	0	0	0	109.5	C14 I26 T27 W28 G96	C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 2.95Å; C14-C88 WeakPolarHBondContact SG-CB 3.34Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.24Å; I26-C88 HydrophobicContact CG2-CB 4.31Å; T27-C88 CarbonylContact O-C 3.55Å; T27-C88 WeakPolarHBondContact O-CA 3.48Å; W28-C88 HydrophobicContact CD2-CB 4.23Å; W28-C88 HydrophobicContact CE3-CB 4.05Å; W28-C88 HydrophobicContact CH2-CB 4.18Å; W28-C88 HydrophobicContact CZ2-CB 4.32Å; W28-C88 HydrophobicContact CZ3-CB 4.03Å; C88-G96 PolarHBondContact O-N 3.31Å
89	A	95.1	Very high	92.1	Very high	4 Å²	4	61.7 Å²	61.7	3%	0.033	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.4	176.1	0	0	0	0	0	111.4	T27 Y94 W95	T27-A89 PolarHBondContact N-O 2.92Å; T27-A89 PolarHBondContact O-N 2.88Å; A89-Y94 CarbonylContact C-O 3.59Å; A89-Y94 WeakPolarHBondContact CA-O 3.39Å; A89-Y94 WeakPolarHBondContact CB-O 3.39Å; A89-W95 HydrophobicContact CB-CD2 3.81Å; A89-W95 HydrophobicContact CB-CE3 4.06Å; A89-W95 HydrophobicContact CB-CG 4.17Å; A89-W95 HydrophobicContact CB-CZ2 4.33Å; A89-W95 HydrophobicContact CB-CZ3 4.43Å
90	R	91.9	Very high	92.2	Very high	38 Å²	38	62 Å²	62	14%	0.143	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.1	169.3	-178.8	-164.7	69.8	174.2	-2.5	108.6	Y19 Y24 Y92 D93 Y94	Y19-R90 VanDerWaalsContact CE2-CD 3.44Å; Y19-R90 HydrophobicContact CE2-CG 4.22Å; Y24-R90 HydrophobicContact CD1-CG 4.09Å; Y24-R90 HydrophobicContact CG-CG 3.88Å; R90-Y92 PolarHBondContact O-N 2.76Å; R90-Y92 VanDerWaalsContact O-N 3.17Å; R90-D93 PolarHBondContact O-N 3.18Å; R90-Y94 PolarHBondContact N-O 3.32Å; R90-Y94 VanDerWaalsContact NH2-CZ 3.33Å; R90-Y94 PolarHBondContact O-N 3.05Å
91	G	75.4	Confident	92.3	Very high	38 Å²	38	58.4 Å²	58.4	39%	0.392	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	26.8	174.9	0	0	0	0	0	114.7	D93	G91-D93 PolarHBondContact O-N 3.4Å
92	Y	75.2	Confident	92.5	Very high	125 Å²	125	55.2 Å²	55.2	49%	0.49	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-11.8	-174.9	-57.3	-76.9	0	0	0	117.2	T27 R90 W95	T27-Y92 HydrophobicContact CG2-CE1 3.79Å; R90-Y92 PolarHBondContact O-N 2.76Å; R90-Y92 VanDerWaalsContact O-N 3.17Å; Y92-W95 HydrophobicContact CD1-CZ2 4.49Å; Y92-W95 PolarHBondContact O-NE1 2.94Å
93	D	80.3	Confident	92.5	Very high	134 Å²	134	55.3 Å²	55.3	72%	0.717	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-26.2	179.9	-61.3	-38.8	0	0	0	112.9	R90 G91	R90-D93 PolarHBondContact O-N 3.18Å; G91-D93 PolarHBondContact O-N 3.4Å
94	Y	89.3	Confident	92.1	Very high	145 Å²	145	55.8 Å²	55.8	57%	0.569	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	117	-174.8	-61.3	-92.5	0	0	0	110.6	A89 R90	A89-Y94 CarbonylContact C-O 3.59Å; A89-Y94 WeakPolarHBondContact CA-O 3.39Å; A89-Y94 WeakPolarHBondContact CB-O 3.39Å; R90-Y94 PolarHBondContact N-O 3.32Å; R90-Y94 VanDerWaalsContact NH2-CZ 3.33Å; R90-Y94 PolarHBondContact O-N 3.05Å
95	W	93.6	Very high	91	Very high	103 Å²	103	63.3 Å²	63.3	39%	0.39	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.4	-176.3	-67.1	73.1	0	0	0	111.3	V29 L37 Y87 A89 Y92	V29-W95 HydrophobicContact CB-CH2 4.15Å; V29-W95 HydrophobicContact CB-CZ3 3.87Å; V29-W95 HydrophobicContact CG1-CH2 4.15Å; V29-W95 HydrophobicContact CG1-CZ3 4.12Å; V29-W95 HydrophobicContact CG2-CH2 3.76Å; V29-W95 HydrophobicContact CG2-CZ3 3.87Å; L37-W95 HydrophobicContact CD1-CH2 3.85Å; L37-W95 HydrophobicContact CD1-CZ2 4.39Å; L37-W95 HydrophobicContact CD1-CZ3 4.46Å; Y87-W95 HydrophobicContact CD1-CE3 4.49Å; Y87-W95 HydrophobicContact CG-CE3 4.08Å; Y87-W95 HydrophobicContact CG-CZ3 4.28Å; A89-W95 HydrophobicContact CB-CD2 3.81Å; A89-W95 HydrophobicContact CB-CE3 4.06Å; A89-W95 HydrophobicContact CB-CG 4.17Å; A89-W95 HydrophobicContact CB-CZ2 4.33Å; A89-W95 HydrophobicContact CB-CZ3 4.43Å; Y92-W95 HydrophobicContact CD1-CZ2 4.49Å; Y92-W95 PolarHBondContact O-NE1 2.94Å
96	G	92.8	Very high	90.7	Very high	31 Å²	31	64.7 Å²	64.7	32%	0.32	36%	0.356	S	S	.	.			trans	-68.6	164.6	164.9	0	0	0	0	0	111.2	C88 G98	C88-G96 PolarHBondContact O-N 3.31Å; G96-G98 PolarHBondContact O-N 3.05Å
97	Q	93.1	Very high	90.3	Very high	191 Å²	191	68 Å²	68	89%	0.893	37%	0.374	S	S	*	.			trans	-61.2	-17.9	179.1	-65.6	-64.7	-41.5	0	0	113.7
98	G	94.3	Very high	90	Very high	27 Å²	27	69.2 Å²	69.2	28%	0.278	39%	0.385	S	S	.	.			trans	80.9	156.3	-174.9	0	0	0	0	0	112.4	Y86 G96	Y86-G98 CarbonylContact O-C 3.48Å; Y86-G98 WeakPolarHBondContact O-CA 3.29Å; G96-G98 PolarHBondContact O-N 3.05Å
99	T	95.9	Very high	89.6	Confident	52 Å²	52	72.4 Å²	72.4	32%	0.319	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.1	177.7	-63	0	0	0	0	108.5	M12 Y86 L101	M12-T99 HydrophobicContact CE-CG2 3.34Å; Y86-T99 PolarHBondContact N-O 3.38Å; Y86-T99 PolarHBondContact O-N 2.8Å; T99-L101 PolarHBondContact O-N 3.29Å
100	T	96.8	Very high	89.3	Confident	62 Å²	62	76.6 Å²	76.6	38%	0.38	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123	172.3	-46	0	0	0	0	109.9	A1 E2	A1-T100 CarbonylContact C-O 3.43Å; A1-T100 WeakPolarHBondContact CA-O 3.34Å; E2-T100 PolarHBondContact N-O 3.03Å
101	L	96.1	Very high	89.1	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.005	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.6	169.9	178.4	67.2	0	0	0	108.4	E2 V4 V10 L75 L78 S83 A84 Y86 T99 V103	E2-L101 HydrophobicContact CB-CD1 4.08Å; E2-L101 HydrophobicContact CG-CD1 4.47Å; V4-L101 HydrophobicContact CG1-CD1 4.27Å; V4-L101 HydrophobicContact CG2-CD1 3.89Å; V10-L101 HydrophobicContact CB-CD1 4.45Å; V10-L101 HydrophobicContact CG1-CD1 4.2Å; V10-L101 HydrophobicContact CG1-CD2 3.92Å; V10-L101 HydrophobicContact CG2-CD1 4.41Å; L75-L101 HydrophobicContact CD1-CD2 4.19Å; L78-L101 HydrophobicContact CD1-CD2 4.24Å; L78-L101 HydrophobicContact CD2-CD2 4.02Å; S83-L101 CarbonylContact C-O 3.59Å; S83-L101 VanDerWaalsContact CA-O 3.27Å; S83-L101 WeakPolarHBondContact CA-O 3.41Å; A84-L101 PolarHBondContact N-O 2.61Å; A84-L101 PolarHBondContact O-N 3.14Å; Y86-L101 HydrophobicContact CD2-CB 3.94Å; Y86-L101 HydrophobicContact CD2-CD2 4.41Å; Y86-L101 HydrophobicContact CE2-CB 3.8Å; Y86-L101 HydrophobicContact CE2-CD2 3.72Å; Y86-L101 HydrophobicContact CE2-CG 4.39Å; T99-L101 PolarHBondContact O-N 3.29Å; L101-V103 HydrophobicContact CG-CG2 4.47Å
102	T	96.3	Very high	90.1	Very high	62 Å²	62	82.1 Å²	82.1	38%	0.38	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.1	175.7	-55.1	0	0	0	0	108.6	E2 L3 V4	E2-T102 PolarHBondContact O-N 3.3Å; L3-T102 WeakPolarHBondContact CA-O 3.49Å; L3-T102 HydrophobicContact CD1-CG2 3.75Å; V4-T102 PolarHBondContact N-O 3.4Å
103	V	94.6	Very high	91.2	Very high	7 Å²	7	78.8 Å²	78.8	4%	0.042	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	108.5	174.7	-171.4	0	0	0	0	107.8	V4 P6 L78 T79 D82 S83 L101	V4-V103 HydrophobicContact CG2-CB 4.35Å; V4-V103 HydrophobicContact CG2-CG1 4.39Å; V4-V103 HydrophobicContact CG2-CG2 3.82Å; V4-V103 CarbonylContact O-C 3.5Å; V4-V103 WeakPolarHBondContact O-CA 3.33Å; P6-V103 HydrophobicContact CB-CG1 4.42Å; P6-V103 HydrophobicContact CG-CG1 4.24Å; L78-V103 HydrophobicContact CB-CG1 4.35Å; L78-V103 HydrophobicContact CB-CG2 4.03Å; L78-V103 HydrophobicContact CD1-CG2 4.46Å; T79-V103 WeakPolarHBondContact O-CB 3.3Å; T79-V103 WeakPolarHBondContact O-CG2 3.49Å; D82-V103 HydrophobicContact CB-CG2 4.2Å; S83-V103 PolarHBondContact OG-N 3.07Å; L101-V103 HydrophobicContact CG-CG2 4.47Å
104	S	88.6	Confident	92.1	Very high	47 Å²	47	74.3 Å²	74.3	33%	0.329	42%	0.42	S	S	.	.			trans	-69	135.4	179.8	60	0	0	0	0	110.2	V4 P6	V4-S104 PolarHBondContact O-N 3.01Å; V4-S104 PolarHBondContact O-OG 2.62Å; P6-S104 WeakPolarHBondContact CD-O 3.39Å; P6-S104 WeakPolarHBondContact CG-O 3.3Å
105	S	74	Confident	92.4	Very high	163 Å²	163	67.8 Å²	67.8	100%	1.14	41%	0.407	S	S	*	.			trans	-66.5	0	171.6	54.6	0	0	0	0	112.7

Retrieved 105 of 105 residues in 23.2 ms (Link to these results)

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