X5J5E5_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5E5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 102 aa.

						>X5J5E5_MOUSE|X5J5E5
PELVKPGASVKISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADESSSTAYMQLSSLTSEDSAVYFCARELPRGYWGQGTT
					

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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	P	57.9	Low	80.3	Confident	137 Å²	137	99.8 Å²	99.8	89%	0.89	57%	0.569	S	S	*	*				0	103.9	0	18.6	3.9	0	0	0	113.6
2	E	65.6	Low	81.5	Confident	145 Å²	145	94.5 Å²	94.5	68%	0.678	54%	0.537	S	S	*	.			trans	-88.4	124.2	171.3	-165.9	176.6	170.6	0	0	109.9	V4	E2-V4 HydrophobicContact CG-CG2 4.43Å
3	L	72.1	Confident	82.6	Confident	178 Å²	178	93.4 Å²	93.4	93%	0.932	54%	0.539	S	S	*	.			trans	-97.5	109.8	178.7	-79.8	156.2	0	0	0	109.2
4	V	77.6	Confident	83.4	Confident	61 Å²	61	87.6 Å²	87.6	37%	0.37	51%	0.506	S	S	.	.			trans	-112	144.1	-178.2	-136.6	0	0	0	0	110.2	E2 A8 V10 L78	E2-V4 HydrophobicContact CG-CG2 4.43Å; V4-A8 HydrophobicContact CG1-CB 3.85Å; V4-V10 HydrophobicContact CG2-CB 4.35Å; V4-V10 HydrophobicContact CG2-CG2 4.39Å; V4-L78 HydrophobicContact CB-CD1 3.88Å; V4-L78 HydrophobicContact CG1-CD1 4.12Å; V4-L78 HydrophobicContact CG2-CD1 3.96Å
5	K	79.6	Confident	84.2	Confident	173 Å²	173	92.4 Å²	92.4	75%	0.752	52%	0.519	S	S	*	.			trans	-68.2	144.4	175.8	-66.2	-178.8	-178.2	178.1	0	110.5	A8	K5-A8 WeakPolarHBondContact O-CB 3.3Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.13Å
6	P	80.3	Confident	84.5	Confident	118 Å²	118	87.3 Å²	87.3	77%	0.766	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	141.6	170	-24.3	33.9	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3Å
7	G	83	Confident	84.7	Confident	52 Å²	52	88.1 Å²	88.1	54%	0.536	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-12.6	-176.5	0	0	0	0	0	115.1	L78	G7-L78 PolarHBondContact N-O 2.97Å
8	A	89.4	Confident	84.8	Confident	33 Å²	33	87.9 Å²	87.9	27%	0.273	53%	0.525	S	S	.	.			trans	-69	168.3	173.3	0	0	0	0	0	111.7	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CG1-CB 3.85Å; K5-A8 WeakPolarHBondContact O-CB 3.3Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 PolarHBondContact O-N 3Å; A8-S77 PolarHBondContact O-N 2.88Å; A8-L78 WeakPolarHBondContact O-CB 3.34Å; A8-L78 WeakPolarHBondContact O-CG 3.22Å; A8-L78 PolarHBondContact O-N 2.85Å
9	S	91.3	Very high	84.7	Confident	63 Å²	63	86.3 Å²	86.3	44%	0.441	51%	0.509	S	S	.	.			trans	-109.1	146.4	167.4	-58.1	0	0	0	0	109.6	L75	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.12Å
10	V	92.5	Very high	84.8	Confident	14 Å²	14	85 Å²	85	9%	0.085	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.4	173.5	67.9	0	0	0	0	109.5	V4 I12 Q74 L75 L78	V4-V10 HydrophobicContact CG2-CB 4.35Å; V4-V10 HydrophobicContact CG2-CG2 4.39Å; V10-I12 HydrophobicContact CG1-CD1 4.45Å; V10-I12 HydrophobicContact CG1-CG1 4.42Å; V10-I12 HydrophobicContact CG2-CG1 4.49Å; V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.41Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.4Å; V10-L75 PolarHBondContact N-O 3Å; V10-L75 PolarHBondContact O-N 2.94Å; V10-L78 HydrophobicContact CB-CD1 4.01Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; V10-L78 HydrophobicContact CG1-CD2 4.24Å; V10-L78 HydrophobicContact CG1-CG 4.5Å
11	K	94.2	Very high	85	Confident	124 Å²	124	81.2 Å²	81.2	54%	0.539	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	112.6	174.1	-175.4	176.7	178.2	-178.6	0	108.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.37Å; K11-Y72 VanDerWaalsContact CE-CG 3.4Å; K11-Y72 HydrophobicContact CG-CD1 4.37Å
12	I	94.3	Very high	86.6	Confident	36 Å²	36	77 Å²	77	19%	0.185	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.9	178.2	-58.2	161.7	0	0	0	107.7	V10 W28 Y72 M73 L75 Y86	V10-I12 HydrophobicContact CG1-CD1 4.45Å; V10-I12 HydrophobicContact CG1-CG1 4.42Å; V10-I12 HydrophobicContact CG2-CG1 4.49Å; I12-W28 HydrophobicContact CB-CH2 4.37Å; I12-W28 HydrophobicContact CB-CZ3 4.15Å; I12-W28 HydrophobicContact CG2-CH2 3.99Å; I12-W28 HydrophobicContact CG2-CZ3 3.64Å; I12-Y72 CarbonylContact O-C 3.59Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.36Å; I12-M73 HydrophobicContact CD1-CE 3.6Å; I12-M73 PolarHBondContact N-O 3.28Å; I12-M73 PolarHBondContact O-N 2.81Å; I12-L75 HydrophobicContact CD1-CD1 4.2Å; I12-Y86 HydrophobicContact CD1-CD1 4.42Å; I12-Y86 HydrophobicContact CD1-CD2 3.89Å; I12-Y86 HydrophobicContact CD1-CG 3.82Å
13	S	95.7	Very high	87.7	Confident	80 Å²	80	73.1 Å²	73.1	56%	0.559	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	147.8	178.3	64.2	0	0	0	0	111.3	A71	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å
14	C	94.6	Very high	88.5	Confident	12 Å²	12	65.6 Å²	65.6	8%	0.081	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	106.2	176.5	177	0	0	0	0	109.2	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 3.9Å; C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.4Å; C14-A71 HydrophobicContact CB-CB 4.48Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 2.88Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.32Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.04Å
15	K	94.4	Very high	89.1	Confident	160 Å²	160	65.2 Å²	65.2	70%	0.696	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.3	178.2	-172.2	170.2	-175.5	174.9	0	110.2
16	A	90	Very high	89.8	Confident	10 Å²	10	57.2 Å²	57.2	8%	0.083	37%	0.368	C	S	.	.			trans	-81.8	148.4	174.2	0	0	0	0	0	111.3	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.8Å; A16-Y19 HydrophobicContact CB-CE2 4.34Å; A16-Y19 VanDerWaalsContact CB-OH 3.24Å; A16-Y19 WeakPolarHBondContact CB-OH 3.47Å; A16-F21 HydrophobicContact CB-CB 4.23Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.02Å; A16-F21 HydrophobicContact CB-CG 4.1Å; A16-M26 HydrophobicContact CB-CE 4.31Å; A16-S69 PolarHBondContact N-O 2.74Å
17	S	88.3	Confident	90.5	Very high	101 Å²	101	52.4 Å²	52.4	71%	0.706	34%	0.336	S	S	*	.			trans	-149	152.4	174	62.8	0	0	0	0	110.5	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.34Å
18	G	85.4	Confident	91.1	Very high	86 Å²	86	50.1 Å²	50.1	89%	0.887	31%	0.311	S	S	*	.	S	Bend	trans	78.4	14.7	175.4	0	0	0	0	0	115.9
19	Y	82.5	Confident	91.4	Very high	57 Å²	57	48.7 Å²	48.7	22%	0.224	30%	0.299	C	S	.	.	S	Bend	trans	-161.2	168.5	172.6	64.5	-81.9	0	0	0	112.7	A16 S17 F21 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.8Å; A16-Y19 HydrophobicContact CB-CE2 4.34Å; A16-Y19 VanDerWaalsContact CB-OH 3.24Å; A16-Y19 WeakPolarHBondContact CB-OH 3.47Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; Y19-F21 PolarHBondContact O-N 3.26Å; Y19-M26 VanDerWaalsContact OH-CE 3.26Å; Y19-M26 WeakPolarHBondContact OH-CE 3.06Å; Y19-R90 HydrophobicContact CE1-CB 4.47Å; Y19-R90 VanDerWaalsContact CE2-CD 3.41Å; Y19-R90 HydrophobicContact CE2-CG 3.99Å; Y19-R90 VanDerWaalsContact CZ-CD 3.48Å
20	A	87.3	Confident	91.5	Very high	59 Å²	59	45.8 Å²	45.8	49%	0.488	28%	0.278	S	S	.	.			trans	-71.2	97.4	172.6	0	0	0	0	0	110.5	S22 S23	A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 3.26Å; A20-S23 WeakPolarHBondContact CB-OG 3.41Å; A20-S23 PolarHBondContact O-N 3.22Å; A20-S23 PolarHBondContact O-OG 3.16Å
21	F	89.2	Confident	91.6	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.026	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-55.4	-39.3	-176.5	175.3	-113.5	0	0	0	113.5	A16 Y19 S23 M26 P45 A64 A71	A16-F21 HydrophobicContact CB-CB 4.23Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.02Å; A16-F21 HydrophobicContact CB-CG 4.1Å; Y19-F21 PolarHBondContact O-N 3.26Å; F21-S23 PolarHBondContact O-N 2.84Å; F21-S23 VanDerWaalsContact O-N 3.17Å; F21-M26 HydrophobicContact CD2-CE 4.37Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-P45 HydrophobicContact CD1-CB 3.72Å; F21-P45 HydrophobicContact CD1-CG 4.08Å; F21-P45 HydrophobicContact CD2-CG 4.03Å; F21-P45 HydrophobicContact CE1-CB 3.39Å; F21-P45 HydrophobicContact CE1-CG 3.7Å; F21-P45 HydrophobicContact CE2-CB 4.28Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.33Å; F21-P45 HydrophobicContact CG-CG 4.26Å; F21-P45 HydrophobicContact CZ-CB 3.7Å; F21-P45 HydrophobicContact CZ-CG 3.45Å; F21-P45 VanDerWaalsContact CZ-CG 3.45Å; F21-P45 WeakPolarHBondContact O-CG 3.39Å; F21-A64 HydrophobicContact CE1-CB 4.06Å; F21-A64 HydrophobicContact CZ-CB 3.99Å; F21-A71 HydrophobicContact CE2-CB 4.13Å; F21-A71 HydrophobicContact CZ-CB 3.93Å
22	S	90.8	Very high	91.4	Very high	50 Å²	50	45.9 Å²	45.9	35%	0.35	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-68.7	-7.5	178.3	54.4	0	0	0	0	114.9	A20 Y44 G46 E66	A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 3.26Å; S22-Y44 WeakPolarHBondContact O-CE1 3.48Å; S22-G46 VanDerWaalsContact O-CA 3.3Å; S22-G46 WeakPolarHBondContact O-CA 3.42Å; S22-G46 PolarHBondContact O-N 3.17Å; S22-E66 VanDerWaalsContact CB-OE2 3.27Å; S22-E66 WeakPolarHBondContact CB-OE2 2.96Å
23	S	89.1	Confident	91.1	Very high	63 Å²	63	49.9 Å²	49.9	44%	0.441	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-109.7	10.4	-176.1	71.6	0	0	0	0	114.5	A20 F21 Y44	A20-S23 WeakPolarHBondContact CB-OG 3.41Å; A20-S23 PolarHBondContact O-N 3.22Å; A20-S23 PolarHBondContact O-OG 3.16Å; F21-S23 PolarHBondContact O-N 2.84Å; F21-S23 VanDerWaalsContact O-N 3.17Å; S23-Y44 WeakPolarHBondContact CA-OH 3.38Å
24	S	88.3	Confident	90.8	Very high	19 Å²	19	50.3 Å²	50.3	13%	0.133	32%	0.322	C	S	.	.	S	Bend	trans	-144.3	137.6	-175	-58.4	0	0	0	0	112	P45	S24-P45 WeakPolarHBondContact O-CD 3.4Å
25	W	91.9	Very high	90.5	Very high	54 Å²	54	56.5 Å²	56.5	21%	0.205	35%	0.348	C	S	.	.			trans	-61.8	139	172.4	-69.8	96.4	0	0	0	110.9	R42 I43 Y44 D49 E91	W25-R42 HydrophobicContact CD2-CG 4.2Å; W25-R42 HydrophobicContact CE3-CB 3.97Å; W25-R42 HydrophobicContact CE3-CG 3.43Å; W25-R42 VanDerWaalsContact CE3-CG 3.43Å; W25-R42 HydrophobicContact CZ3-CG 3.78Å; W25-I43 CarbonylContact C-O 3.52Å; W25-I43 WeakPolarHBondContact CA-O 3.46Å; W25-Y44 AromaticContact CD1-CD2 3.82Å; W25-Y44 AromaticContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CG 4.3Å; W25-Y44 AromaticContact CE2-CD2 3.78Å; W25-Y44 AromaticContact CG-CD2 3.9Å; W25-Y44 HydrophobicContact CG-CD2 3.9Å; W25-Y44 HydrophobicContact CZ2-CD2 4.38Å; W25-Y44 HydrophobicContact CZ2-CG 4.34Å; W25-Y44 AromaticContact NE1-CD2 3.7Å; W25-D49 HydrophobicContact CH2-CB 3.85Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.46Å; W25-D49 WeakPolarHBondContact CZ3-O 2.97Å; W25-E91 HydrophobicContact CB-CB 3.58Å; W25-E91 HydrophobicContact CB-CG 4.44Å; W25-E91 WeakPolarHBondContact CB-OE2 3.47Å; W25-E91 PolarHBondContact O-N 3.26Å
26	M	93.5	Very high	90.3	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.02	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.1	170.1	-174.6	65.2	73.4	0	0	108.9	A16 Y19 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.31Å; Y19-M26 VanDerWaalsContact OH-CE 3.26Å; Y19-M26 WeakPolarHBondContact OH-CE 3.06Å; F21-M26 HydrophobicContact CD2-CE 4.37Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; M26-R42 CarbonylContact O-C 3.35Å; M26-R42 WeakPolarHBondContact O-CA 3.18Å; M26-R42 WeakPolarHBondContact O-CB 3.26Å; M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 2.78Å; M26-I43 PolarHBondContact O-N 3.05Å; M26-A71 HydrophobicContact CB-CB 4.27Å; M26-A71 HydrophobicContact CG-CB 3.79Å; M26-C88 HydrophobicContact CG-CB 4.42Å; M26-C88 HydrophobicContact SD-CB 3.89Å
27	N	94.5	Very high	90.4	Very high	18 Å²	18	55.8 Å²	55.8	10%	0.096	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	144.7	176.8	-72.2	-84.8	0	0	0	110.8	W39 C88 A89 E91	N27-W39 PolarHBondContact OD1-NE1 2.81Å; N27-C88 CarbonylContact O-C 3.52Å; N27-C88 WeakPolarHBondContact O-CA 3.49Å; N27-A89 WeakPolarHBondContact CB-O 3.25Å; N27-A89 PolarHBondContact N-O 3.37Å; N27-A89 PolarHBondContact O-N 2.96Å; N27-E91 WeakPolarHBondContact ND2-CB 3.32Å; N27-E91 PolarHBondContact ND2-OE2 3.45Å
28	W	96	Very high	90.7	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.011	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.2	173.3	-70.4	90.3	0	0	0	109.9	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.37Å; I12-W28 HydrophobicContact CB-CZ3 4.15Å; I12-W28 HydrophobicContact CG2-CH2 3.99Å; I12-W28 HydrophobicContact CG2-CZ3 3.64Å; C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 3.9Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.4Å; W28-I40 WeakPolarHBondContact O-CB 3.18Å; W28-I40 PolarHBondContact O-N 3.04Å; W28-G41 PolarHBondContact N-O 2.64Å; W28-L62 HydrophobicContact CB-CD2 4.49Å; W28-L62 HydrophobicContact CG-CD2 3.94Å; W28-A71 HydrophobicContact CZ2-CB 4.12Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.69Å; W28-M73 HydrophobicContact CD2-CE 4.41Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.74Å; W28-M73 HydrophobicContact CE3-SD 3.99Å; W28-M73 HydrophobicContact CG-CB 4.3Å; W28-M73 HydrophobicContact CG-SD 4.06Å; W28-M73 HydrophobicContact CH2-CB 3.96Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 3.92Å; W28-M73 HydrophobicContact CZ3-CE 4.21Å; W28-F87 WeakPolarHBondContact CA-O 3.46Å; W28-C88 HydrophobicContact CD2-CB 4.4Å; W28-C88 HydrophobicContact CE3-CB 4.21Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å
29	V	95.4	Very high	91.2	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.4	-174.1	-177.3	0	0	0	0	109.8	L37 E38 Y86 F87 W97	V29-L37 HydrophobicContact CG1-CB 3.71Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 2.99Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; V29-F87 HydrophobicContact CB-CB 4.48Å; V29-F87 PolarHBondContact N-O 3.06Å; V29-F87 PolarHBondContact O-N 2.81Å; V29-W97 HydrophobicContact CG2-CH2 4.16Å; V29-W97 HydrophobicContact CG2-CZ3 3.77Å
30	K	94.1	Very high	91.8	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.1	174.8	-177.2	179.3	-178.5	177.9	0	109.8	R32 E38 I40 F56 E81 D82 A84 V85 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.15Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.86Å; K30-E38 PolarHBondContact O-N 3.46Å; K30-I40 HydrophobicContact CB-CD1 4.01Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CD-CE1 3.92Å; K30-F56 HydrophobicContact CD-CZ 3.95Å; K30-E81 VanDerWaalsContact CE-O 3.3Å; K30-E81 WeakPolarHBondContact CE-O 3.24Å; K30-E81 PolarHBondContact NZ-O 2.83Å; K30-D82 IonicContact NZ-OD1 3.25Å; K30-D82 PolarHBondContact NZ-OD1 3.3Å; K30-A84 HydrophobicContact CD-CB 4.11Å; K30-A84 HydrophobicContact CG-CB 3.45Å; K30-A84 VanDerWaalsContact CG-CB 3.45Å; K30-V85 CarbonylContact C-O 3.58Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 3.93Å; K30-Y86 HydrophobicContact CG-CD1 4.25Å; K30-Y86 HydrophobicContact CG-CE1 3.7Å
31	Q	93	Very high	92.2	Very high	74 Å²	74	47.1 Å²	47.1	35%	0.346	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	115.8	171.5	-170.4	-179.1	37.4	0	0	110.4	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 3.95Å; Q31-A84 WeakPolarHBondContact O-CA 3.41Å; Q31-A84 WeakPolarHBondContact O-CB 3.09Å; Q31-V85 PolarHBondContact N-O 3.23Å; Q31-V85 PolarHBondContact O-N 2.79Å; Q31-F87 HydrophobicContact CB-CD2 4.31Å; Q31-F87 HydrophobicContact CB-CE2 3.62Å; Q31-F87 HydrophobicContact CG-CE2 4.42Å; Q31-F87 VanDerWaalsContact OE1-CE2 3.28Å
32	R	90.8	Very high	92.5	Very high	66 Å²	66	49.9 Å²	49.9	25%	0.249	29%	0.288	C	S	.	.			trans	-88.3	147.8	171	-64.2	-179.3	-174.2	146.3	9.8	110.2	K30 G34 K35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.15Å; R32-G34 PolarHBondContact O-N 2.9Å; R32-K35 HydrophobicContact CB-CB 3.98Å; R32-K35 HydrophobicContact CB-CG 3.97Å; R32-K35 PolarHBondContact O-N 3.49Å; R32-E38 IonicContact CZ-OE2 3.88Å; R32-E38 IonicContact NH2-OE2 3.96Å; R32-E81 PolarHBondContact NE-O 2.84Å; R32-E81 PolarHBondContact NH2-O 2.77Å; R32-E81 IonicContact NH2-OE2 3.74Å; R32-A84 HydrophobicContact CG-CB 4.03Å
33	P	88	Confident	92.8	Very high	121 Å²	121	47.7 Å²	47.7	79%	0.786	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	127.7	172.4	-25.5	34.4	0	0	0	111.4	K35	P33-K35 PolarHBondContact O-N 2.82Å
34	G	89.3	Confident	93.1	Very high	89 Å²	89	47.6 Å²	47.6	92%	0.918	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	11.1	-179.3	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.9Å
35	K	89.1	Confident	93.4	Very high	142 Å²	142	47 Å²	47	62%	0.617	26%	0.258	S	S	*	.	S	Bend	trans	-120.6	160.4	174.5	-59.5	-68.5	-177.8	-180	0	110.8	R32 P33	R32-K35 HydrophobicContact CB-CB 3.98Å; R32-K35 HydrophobicContact CB-CG 3.97Å; R32-K35 PolarHBondContact O-N 3.49Å; P33-K35 PolarHBondContact O-N 2.82Å
36	G	89.7	Confident	93.4	Very high	57 Å²	57	46 Å²	46	59%	0.588	27%	0.265	S	S	*	.			trans	-68.6	174.8	173.1	0	0	0	0	0	113
37	L	92.5	Very high	93.4	Very high	98 Å²	98	51.2 Å²	51.2	51%	0.513	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	128.1	172.7	-65.3	178.9	0	0	0	110.4	V29 Q31 F87	V29-L37 HydrophobicContact CG1-CB 3.71Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 3.95Å; L37-F87 HydrophobicContact CD2-CD2 4.18Å; L37-F87 HydrophobicContact CD2-CE2 4.14Å
38	E	94.3	Very high	93.3	Very high	45 Å²	45	52.3 Å²	52.3	21%	0.21	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	112.7	174.3	-62.8	-170.3	121.6	0	0	109.4	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 2.99Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.86Å; K30-E38 PolarHBondContact O-N 3.46Å; R32-E38 IonicContact CZ-OE2 3.88Å; R32-E38 IonicContact NH2-OE2 3.96Å; E38-I40 PolarHBondContact O-N 2.87Å; E38-K55 IonicContact OE1-NZ 3.89Å; E38-F56 HydrophobicContact CB-CE2 4.43Å; E38-F56 HydrophobicContact CB-CZ 4.4Å
39	W	94.9	Very high	93.3	Very high	75 Å²	75	56.3 Å²	56.3	28%	0.284	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.4	175.4	-177.1	80.4	0	0	0	110.7	N27 G41 R42 N51 N53	N27-W39 PolarHBondContact OD1-NE1 2.81Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 2.66Å; W39-R42 HydrophobicContact CZ2-CB 4.08Å; W39-R42 HydrophobicContact CZ2-CG 3.87Å; W39-N51 HydrophobicContact CH2-CB 4.38Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.32Å; W39-N53 HydrophobicContact CE3-CB 3.72Å; W39-N53 HydrophobicContact CZ3-CB 3.92Å; W39-N53 VanDerWaalsContact CZ3-N 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.16Å; W39-N53 PolarHBondContact O-ND2 2.99Å
40	I	96.1	Very high	93.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-48.3	-177.7	-60.8	175.2	0	0	0	110.1	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.4Å; W28-I40 WeakPolarHBondContact O-CB 3.18Å; W28-I40 PolarHBondContact O-N 3.04Å; K30-I40 HydrophobicContact CB-CD1 4.01Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 2.87Å; I40-N53 WeakPolarHBondContact O-CB 3.45Å; I40-N53 PolarHBondContact O-N 2.98Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.13Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 4.18Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.08Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.07Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.81Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-M73 HydrophobicContact CD1-CE 3.81Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 3.92Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å
41	G	96.1	Very high	93.4	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	178.9	-172.5	0	0	0	0	0	111.7	W28 W39 N51	W28-G41 PolarHBondContact N-O 2.64Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 2.66Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.44Å
42	R	95.8	Very high	93.6	Very high	65 Å²	65	61.1 Å²	61.1	25%	0.245	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155	173.9	66.3	-177.8	-178.1	-174.8	-1.5	111.6	W25 M26 W39 T50 N51 E91	W25-R42 HydrophobicContact CD2-CG 4.2Å; W25-R42 HydrophobicContact CE3-CB 3.97Å; W25-R42 HydrophobicContact CE3-CG 3.43Å; W25-R42 VanDerWaalsContact CE3-CG 3.43Å; W25-R42 HydrophobicContact CZ3-CG 3.78Å; M26-R42 CarbonylContact O-C 3.35Å; M26-R42 WeakPolarHBondContact O-CA 3.18Å; M26-R42 WeakPolarHBondContact O-CB 3.26Å; W39-R42 HydrophobicContact CZ2-CB 4.08Å; W39-R42 HydrophobicContact CZ2-CG 3.87Å; R42-T50 WeakPolarHBondContact O-CA 3.37Å; R42-N51 HydrophobicContact CG-CB 4.1Å; R42-N51 PolarHBondContact N-O 3.25Å; R42-N51 PolarHBondContact O-N 2.73Å; R42-E91 WeakPolarHBondContact CD-OE2 3.27Å; R42-E91 IonicContact CZ-OE2 3.73Å; R42-E91 IonicContact NE-OE2 3.96Å; R42-E91 IonicContact NH1-OE1 2.92Å; R42-E91 PolarHBondContact NH1-OE1 3.36Å; R42-E91 IonicContact NH1-OE2 2.77Å; R42-E91 PolarHBondContact NH1-OE2 2.6Å
43	I	96.2	Very high	93.8	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.3	173.6	-177.6	165.4	0	0	0	109.9	W25 M26 P45 D49 T50 L62 T63 A64	W25-I43 CarbonylContact C-O 3.52Å; W25-I43 WeakPolarHBondContact CA-O 3.46Å; M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 2.78Å; M26-I43 PolarHBondContact O-N 3.05Å; I43-P45 WeakPolarHBondContact O-CD 3.21Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 VanDerWaalsContact CA-O 3.29Å; I43-D49 WeakPolarHBondContact CA-O 3.33Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-L62 HydrophobicContact CB-CD1 4.48Å; I43-L62 HydrophobicContact CD1-CB 4.41Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; I43-T63 VanDerWaalsContact CD1-C 3.47Å; I43-A64 HydrophobicContact CD1-CB 3.91Å
44	Y	94.9	Very high	94	Very high	60 Å²	60	57.5 Å²	57.5	24%	0.235	35%	0.35	C	S	.	.			trans	-96	108.7	168.8	-167.9	-99.9	0	0	0	108.3	S22 S23 W25 G46 D47 G48 D49	S22-Y44 WeakPolarHBondContact O-CE1 3.48Å; S23-Y44 WeakPolarHBondContact CA-OH 3.38Å; W25-Y44 AromaticContact CD1-CD2 3.82Å; W25-Y44 AromaticContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CG 4.3Å; W25-Y44 AromaticContact CE2-CD2 3.78Å; W25-Y44 AromaticContact CG-CD2 3.9Å; W25-Y44 HydrophobicContact CG-CD2 3.9Å; W25-Y44 HydrophobicContact CZ2-CD2 4.38Å; W25-Y44 HydrophobicContact CZ2-CG 4.34Å; W25-Y44 AromaticContact NE1-CD2 3.7Å; Y44-G46 VanDerWaalsContact C-N 3.27Å; Y44-G46 PolarHBondContact O-N 3.25Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.33Å; Y44-G48 WeakPolarHBondContact O-CA 3.41Å; Y44-G48 PolarHBondContact O-N 3.49Å; Y44-D49 PolarHBondContact N-O 3.15Å
45	P	94.5	Very high	94	Very high	6 Å²	6	60.6 Å²	60.6	4%	0.039	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.3	-169.4	-25.4	36.5	0	0	0	114.7	F21 S24 I43 D47 A64 E66	F21-P45 HydrophobicContact CD1-CB 3.72Å; F21-P45 HydrophobicContact CD1-CG 4.08Å; F21-P45 HydrophobicContact CD2-CG 4.03Å; F21-P45 HydrophobicContact CE1-CB 3.39Å; F21-P45 HydrophobicContact CE1-CG 3.7Å; F21-P45 HydrophobicContact CE2-CB 4.28Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.33Å; F21-P45 HydrophobicContact CG-CG 4.26Å; F21-P45 HydrophobicContact CZ-CB 3.7Å; F21-P45 HydrophobicContact CZ-CG 3.45Å; F21-P45 VanDerWaalsContact CZ-CG 3.45Å; F21-P45 WeakPolarHBondContact O-CG 3.39Å; S24-P45 WeakPolarHBondContact O-CD 3.4Å; I43-P45 WeakPolarHBondContact O-CD 3.21Å; P45-D47 PolarHBondContact O-N 2.96Å; P45-A64 HydrophobicContact CB-CB 3.78Å; P45-A64 HydrophobicContact CG-CB 4.21Å; P45-E66 VanDerWaalsContact O-OE1 3.09Å
46	G	92.4	Very high	94.2	Very high	34 Å²	34	54.3 Å²	54.3	35%	0.351	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-16.7	-174.2	0	0	0	0	0	115.9	S22 Y44	S22-G46 VanDerWaalsContact O-CA 3.3Å; S22-G46 WeakPolarHBondContact O-CA 3.42Å; S22-G46 PolarHBondContact O-N 3.17Å; Y44-G46 VanDerWaalsContact C-N 3.27Å; Y44-G46 PolarHBondContact O-N 3.25Å
47	D	93.6	Very high	94.2	Very high	113 Å²	113	59.5 Å²	59.5	60%	0.604	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.5	-5.9	174.2	62.3	16.2	0	0	0	113.2	Y44 P45 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.33Å; P45-D47 PolarHBondContact O-N 2.96Å; D47-D49 VanDerWaalsContact C-N 3.29Å; D47-D49 PolarHBondContact O-N 3.49Å; D47-D49 VanDerWaalsContact OD1-CB 3.25Å; D47-D49 WeakPolarHBondContact OD1-CB 3.42Å; D47-D49 PolarHBondContact OD1-N 2.94Å
48	G	93.8	Very high	94.1	Very high	42 Å²	42	58.5 Å²	58.5	43%	0.433	33%	0.33	S	S	.	.			trans	76.6	10.3	-179.2	0	0	0	0	0	114.1	Y44	Y44-G48 WeakPolarHBondContact O-CA 3.41Å; Y44-G48 PolarHBondContact O-N 3.49Å
49	D	95.4	Very high	94	Very high	86 Å²	86	58.7 Å²	58.7	46%	0.46	33%	0.331	S	S	.	.			trans	-62	140.5	177.7	-170.7	21.5	0	0	0	110.5	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.85Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.46Å; W25-D49 WeakPolarHBondContact CZ3-O 2.97Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 VanDerWaalsContact CA-O 3.29Å; I43-D49 WeakPolarHBondContact CA-O 3.33Å; Y44-D49 PolarHBondContact N-O 3.15Å; D47-D49 VanDerWaalsContact C-N 3.29Å; D47-D49 PolarHBondContact O-N 3.49Å; D47-D49 VanDerWaalsContact OD1-CB 3.25Å; D47-D49 WeakPolarHBondContact OD1-CB 3.42Å; D47-D49 PolarHBondContact OD1-N 2.94Å
50	T	96.4	Very high	94.1	Very high	47 Å²	47	55.3 Å²	55.3	29%	0.288	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.3	-175.5	54.9	0	0	0	0	111.9	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.37Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; T50-Y52 HydrophobicContact CG2-CE2 4.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; T50-L62 HydrophobicContact CG2-CB 4.16Å
51	N	95.6	Very high	94.1	Very high	79 Å²	79	58.3 Å²	58.3	42%	0.422	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.7	171.4	-170.3	-125.6	0	0	0	110.2	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.38Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.32Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.44Å; R42-N51 HydrophobicContact CG-CB 4.1Å; R42-N51 PolarHBondContact N-O 3.25Å; R42-N51 PolarHBondContact O-N 2.73Å
52	Y	95.7	Very high	94.2	Very high	55 Å²	55	58.7 Å²	58.7	22%	0.216	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.6	-173.6	-66.4	-91.4	0	0	0	110.7	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.24Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 2.92Å
53	N	94.6	Very high	94.2	Very high	48 Å²	48	58.6 Å²	58.6	26%	0.257	35%	0.345	S	S	.	.			trans	-69.6	135	158.5	-176.5	-24.2	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.72Å; W39-N53 HydrophobicContact CZ3-CB 3.92Å; W39-N53 VanDerWaalsContact CZ3-N 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.16Å; W39-N53 PolarHBondContact O-ND2 2.99Å; I40-N53 WeakPolarHBondContact O-CB 3.45Å; I40-N53 PolarHBondContact O-N 2.98Å; N53-K55 PolarHBondContact O-N 2.91Å; N53-K55 PolarHBondContact OD1-N 3.31Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.8Å; N53-K57 PolarHBondContact O-N 2.77Å; N53-K57 VanDerWaalsContact O-N 3.15Å
54	G	92.5	Very high	94.2	Very high	62 Å²	62	60.1 Å²	60.1	64%	0.639	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.6	-179.4	0	0	0	0	0	114	F56 K57	G54-F56 VanDerWaalsContact C-N 3.26Å; G54-F56 PolarHBondContact O-N 3.31Å; G54-K57 PolarHBondContact O-N 3.34Å
55	K	90.7	Very high	94.3	Very high	155 Å²	155	59.9 Å²	59.9	67%	0.674	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-27.3	177	-67.1	-174.3	-179	-179.5	0	114.3	E38 N53	E38-K55 IonicContact OE1-NZ 3.89Å; N53-K55 PolarHBondContact O-N 2.91Å; N53-K55 PolarHBondContact OD1-N 3.31Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å
56	F	92	Very high	94.1	Very high	10 Å²	10	64.3 Å²	64.3	4%	0.044	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-5.1	-174.6	-63.2	-86	0	0	0	112.7	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.92Å; K30-F56 HydrophobicContact CD-CZ 3.95Å; E38-F56 HydrophobicContact CB-CE2 4.43Å; E38-F56 HydrophobicContact CB-CZ 4.4Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.13Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 4.18Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.08Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.07Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.81Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.8Å; G54-F56 VanDerWaalsContact C-N 3.26Å; G54-F56 PolarHBondContact O-N 3.31Å; F56-G58 PolarHBondContact O-N 2.85Å; F56-K59 PolarHBondContact O-N 3.37Å; F56-A60 HydrophobicContact CB-CB 4.38Å; F56-A60 PolarHBondContact O-N 3.29Å
57	K	90.6	Very high	94.1	Very high	165 Å²	165	68 Å²	68	72%	0.717	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-60.5	122.8	175.4	-166.8	173.1	-175.8	177.7	0	109.5	N53 G54 K59	N53-K57 PolarHBondContact O-N 2.77Å; N53-K57 VanDerWaalsContact O-N 3.15Å; G54-K57 PolarHBondContact O-N 3.34Å; K57-K59 VanDerWaalsContact C-N 3.28Å; K57-K59 PolarHBondContact O-N 2.79Å
58	G	90.4	Very high	94.1	Very high	77 Å²	77	64.5 Å²	64.5	79%	0.794	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-12.2	-176.3	0	0	0	0	0	115.1	F56	F56-G58 PolarHBondContact O-N 2.85Å
59	K	92.8	Very high	94.2	Very high	50 Å²	50	64.5 Å²	64.5	22%	0.217	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-36.2	173.6	-171.8	164.1	-175.3	166.5	0	112.7	F56 K57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.37Å; K57-K59 VanDerWaalsContact C-N 3.28Å; K57-K59 PolarHBondContact O-N 2.79Å; K59-L75 WeakPolarHBondContact O-CA 3.34Å; K59-S76 PolarHBondContact O-N 2.9Å; K59-D82 WeakPolarHBondContact CE-OD1 3.38Å; K59-D82 WeakPolarHBondContact CE-OD2 3.3Å; K59-D82 IonicContact NZ-OD1 2.96Å; K59-D82 PolarHBondContact NZ-OD1 2.76Å; K59-D82 IonicContact NZ-OD2 2.64Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å
60	A	95.5	Very high	94.2	Very high	3 Å²	3	60.9 Å²	60.9	3%	0.025	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.9	175.8	0	0	0	0	0	110.5	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.24Å; F56-A60 HydrophobicContact CB-CB 4.38Å; F56-A60 PolarHBondContact O-N 3.29Å; A60-M73 HydrophobicContact CB-CG 4.4Å; A60-M73 HydrophobicContact CB-SD 4.46Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; A60-L75 HydrophobicContact CB-CD2 3.83Å
61	T	97.1	Very high	94.2	Very high	63 Å²	63	58.7 Å²	58.7	39%	0.387	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.8	169	-59	0	0	0	0	108.3	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.34Å; T61-M73 WeakPolarHBondContact O-CA 3.26Å; T61-Q74 PolarHBondContact N-O 2.84Å; T61-Q74 PolarHBondContact O-N 2.87Å
62	L	97.2	Very high	94.3	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.5	178.1	-53.4	-176.8	0	0	0	110	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CB-CD2 4.49Å; W28-L62 HydrophobicContact CG-CD2 3.94Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-L62 HydrophobicContact CB-CD1 4.48Å; I43-L62 HydrophobicContact CD1-CB 4.41Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; T50-L62 HydrophobicContact CG2-CB 4.16Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 2.92Å; L62-Y72 WeakPolarHBondContact CA-O 3.4Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.12Å
63	T	97.2	Very high	94.3	Very high	63 Å²	63	54.6 Å²	54.6	39%	0.387	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	162.8	174	59.1	0	0	0	0	110.4	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.47Å; T61-T63 HydrophobicContact CG2-CG2 4.34Å; T63-A71 CarbonylContact O-C 3.59Å; T63-Y72 PolarHBondContact N-O 2.9Å; T63-Y72 PolarHBondContact O-N 2.98Å
64	A	96.4	Very high	94.4	Very high	36 Å²	36	56.4 Å²	56.4	30%	0.298	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.9	176.8	0	0	0	0	0	110.4	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.06Å; F21-A64 HydrophobicContact CZ-CB 3.99Å; I43-A64 HydrophobicContact CD1-CB 3.91Å; P45-A64 HydrophobicContact CB-CB 3.78Å; P45-A64 HydrophobicContact CG-CB 4.21Å
65	D	95.2	Very high	94.5	Very high	56 Å²	56	53.4 Å²	53.4	30%	0.299	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	105.8	169.8	172.7	10.3	0	0	0	107.8	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.77Å; D65-S67 WeakPolarHBondContact OD1-CB 2.95Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 2.78Å; D65-S67 PolarHBondContact OD2-OG 2.93Å; D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 PolarHBondContact OD1-N 3.13Å; D65-S68 WeakPolarHBondContact OD2-CB 3.46Å; D65-S68 PolarHBondContact OD2-OG 3.45Å; D65-S69 WeakPolarHBondContact O-CA 3.05Å; D65-S69 PolarHBondContact O-N 3.39Å; D65-T70 PolarHBondContact N-O 3.3Å; D65-T70 PolarHBondContact O-N 3.01Å; D65-Y72 HydrophobicContact CB-CE2 3.95Å
66	E	91.9	Very high	94.6	Very high	98 Å²	98	47.6 Å²	47.6	46%	0.458	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-36.7	-179.5	-68.4	-173.8	-126.6	0	0	112.1	S22 P45 S68 S69	S22-E66 VanDerWaalsContact CB-OE2 3.27Å; S22-E66 WeakPolarHBondContact CB-OE2 2.96Å; P45-E66 VanDerWaalsContact O-OE1 3.09Å; E66-S68 VanDerWaalsContact C-N 3.3Å; E66-S68 PolarHBondContact O-N 3.3Å; E66-S69 PolarHBondContact O-N 3.35Å
67	S	91.8	Very high	94.6	Very high	113 Å²	113	51 Å²	51	79%	0.79	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-37.6	-175.9	74.6	0	0	0	0	112.1	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.77Å; D65-S67 WeakPolarHBondContact OD1-CB 2.95Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 2.78Å; D65-S67 PolarHBondContact OD2-OG 2.93Å
68	S	94.3	Very high	94.5	Very high	38 Å²	38	44 Å²	44	27%	0.266	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	1.2	176	66.9	0	0	0	0	113.4	D65 E66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 PolarHBondContact OD1-N 3.13Å; D65-S68 WeakPolarHBondContact OD2-CB 3.46Å; D65-S68 PolarHBondContact OD2-OG 3.45Å; E66-S68 VanDerWaalsContact C-N 3.3Å; E66-S68 PolarHBondContact O-N 3.3Å; S68-T70 PolarHBondContact O-N 2.98Å; S68-T70 PolarHBondContact O-OG1 2.01Å; S68-T70 WeakPolarHBondContact OG-CB 3.11Å; S68-T70 PolarHBondContact OG-OG1 2.81Å
69	S	94.6	Very high	94.5	Very high	42 Å²	42	43.5 Å²	43.5	29%	0.294	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	41.6	-173.3	-62.9	0	0	0	0	112.6	A16 D65 E66	A16-S69 PolarHBondContact N-O 2.74Å; D65-S69 WeakPolarHBondContact O-CA 3.05Å; D65-S69 PolarHBondContact O-N 3.39Å; E66-S69 PolarHBondContact O-N 3.35Å
70	T	96.1	Very high	94.2	Very high	11 Å²	11	46.3 Å²	46.3	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.6	-173.2	-56.8	0	0	0	0	110.9	C14 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.4Å; D65-T70 PolarHBondContact N-O 3.3Å; D65-T70 PolarHBondContact O-N 3.01Å; S68-T70 PolarHBondContact O-N 2.98Å; S68-T70 PolarHBondContact O-OG1 2.01Å; S68-T70 WeakPolarHBondContact OG-CB 3.11Å; S68-T70 PolarHBondContact OG-OG1 2.81Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.92Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.32Å; T70-Y72 WeakPolarHBondContact O-CE2 3.23Å
71	A	96.3	Very high	93.8	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	150.1	169.1	0	0	0	0	0	110	S13 C14 F21 M26 W28 T63	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 HydrophobicContact CB-CB 4.48Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 2.88Å; F21-A71 HydrophobicContact CE2-CB 4.13Å; F21-A71 HydrophobicContact CZ-CB 3.93Å; M26-A71 HydrophobicContact CB-CB 4.27Å; M26-A71 HydrophobicContact CG-CB 3.79Å; W28-A71 HydrophobicContact CZ2-CB 4.12Å; T63-A71 CarbonylContact O-C 3.59Å
72	Y	97	Very high	93.4	Very high	49 Å²	49	49.5 Å²	49.5	19%	0.192	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.8	177.9	-54.3	-85.1	0	0	0	111	K11 I12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.37Å; K11-Y72 VanDerWaalsContact CE-CG 3.4Å; K11-Y72 HydrophobicContact CG-CD1 4.37Å; I12-Y72 CarbonylContact O-C 3.59Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.36Å; L62-Y72 WeakPolarHBondContact CA-O 3.4Å; T63-Y72 PolarHBondContact N-O 2.9Å; T63-Y72 PolarHBondContact O-N 2.98Å; D65-Y72 HydrophobicContact CB-CE2 3.95Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.92Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.32Å; T70-Y72 WeakPolarHBondContact O-CE2 3.23Å
73	M	97.1	Very high	93.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.2	167.2	177.1	175.8	71.1	0	0	108.6	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.6Å; I12-M73 PolarHBondContact N-O 3.28Å; I12-M73 PolarHBondContact O-N 2.81Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.69Å; W28-M73 HydrophobicContact CD2-CE 4.41Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.74Å; W28-M73 HydrophobicContact CE3-SD 3.99Å; W28-M73 HydrophobicContact CG-CB 4.3Å; W28-M73 HydrophobicContact CG-SD 4.06Å; W28-M73 HydrophobicContact CH2-CB 3.96Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 3.92Å; W28-M73 HydrophobicContact CZ3-CE 4.21Å; I40-M73 HydrophobicContact CD1-CE 3.81Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 3.92Å; A60-M73 HydrophobicContact CB-CG 4.4Å; A60-M73 HydrophobicContact CB-SD 4.46Å; T61-M73 WeakPolarHBondContact O-CA 3.26Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.12Å; M73-L75 HydrophobicContact CE-CD1 3.99Å; M73-L75 HydrophobicContact CE-CD2 4.46Å; M73-L75 HydrophobicContact CE-CG 4.14Å; M73-L75 HydrophobicContact CG-CD2 4.48Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.3Å; M73-L75 HydrophobicContact SD-CG 4.47Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.07Å
74	Q	96.1	Very high	92.8	Very high	85 Å²	85	51.9 Å²	51.9	40%	0.397	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.8	170.2	-174.7	173.3	-1	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.41Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; T61-Q74 PolarHBondContact N-O 2.84Å; T61-Q74 PolarHBondContact O-N 2.87Å
75	L	94.3	Very high	92.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.3	171.4	-68.3	170.1	0	0	0	108.9	S9 V10 I12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.12Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.4Å; V10-L75 PolarHBondContact N-O 3Å; V10-L75 PolarHBondContact O-N 2.94Å; I12-L75 HydrophobicContact CD1-CD1 4.2Å; K59-L75 WeakPolarHBondContact O-CA 3.34Å; A60-L75 HydrophobicContact CB-CD2 3.83Å; M73-L75 HydrophobicContact CE-CD1 3.99Å; M73-L75 HydrophobicContact CE-CD2 4.46Å; M73-L75 HydrophobicContact CE-CG 4.14Å; M73-L75 HydrophobicContact CG-CD2 4.48Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.3Å; M73-L75 HydrophobicContact SD-CG 4.47Å; L75-L78 HydrophobicContact CB-CD2 3.8Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.3Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 4.13Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.49Å
76	S	92.6	Very high	92.6	Very high	33 Å²	33	51.2 Å²	51.2	23%	0.231	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-103.8	154.3	-179.6	-50.1	0	0	0	0	111.5	K59 L78	K59-S76 PolarHBondContact O-N 2.9Å; S76-L78 PolarHBondContact O-N 2.84Å
77	S	91.3	Very high	92.7	Very high	82 Å²	82	48.6 Å²	48.6	57%	0.573	29%	0.294	S	S	*	.	S	Bend	trans	51.7	53.5	172.2	-56.2	0	0	0	0	112.6	A8 T79	A8-S77 PolarHBondContact O-N 2.88Å; S77-T79 PolarHBondContact O-N 3.49Å
78	L	90.3	Very high	92.8	Very high	18 Å²	18	45 Å²	45	9%	0.094	27%	0.268	C	S	.	.			trans	-58.5	137.7	-175.3	-69.9	171.9	0	0	0	112.1	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 3.88Å; V4-L78 HydrophobicContact CG1-CD1 4.12Å; V4-L78 HydrophobicContact CG2-CD1 3.96Å; G7-L78 PolarHBondContact N-O 2.97Å; A8-L78 WeakPolarHBondContact O-CB 3.34Å; A8-L78 WeakPolarHBondContact O-CG 3.22Å; A8-L78 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 4.01Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; V10-L78 HydrophobicContact CG1-CD2 4.24Å; V10-L78 HydrophobicContact CG1-CG 4.5Å; L75-L78 HydrophobicContact CB-CD2 3.8Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 PolarHBondContact O-N 2.84Å; L78-D82 HydrophobicContact CD2-CB 3.75Å
79	T	90.3	Very high	92.7	Very high	65 Å²	65	43.5 Å²	43.5	40%	0.399	26%	0.258	S	S	.	.			trans	-121.1	169.5	177.2	62.4	0	0	0	0	109.9	S77 E81 D82	S77-T79 PolarHBondContact O-N 3.49Å; T79-E81 PolarHBondContact O-N 3.04Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-D82 PolarHBondContact N-OD2 2.88Å; T79-D82 WeakPolarHBondContact O-CB 3.4Å; T79-D82 PolarHBondContact O-N 3.17Å; T79-D82 PolarHBondContact OG1-OD2 2.86Å
80	S	86.6	Confident	92.5	Very high	110 Å²	110	45.1 Å²	45.1	77%	0.769	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.7	174.3	52.2	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.72Å; S80-S83 WeakPolarHBondContact O-CB 3.34Å; S80-S83 PolarHBondContact O-N 3.29Å
81	E	86.4	Confident	91.6	Very high	122 Å²	122	47.8 Å²	47.8	57%	0.57	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-67.3	-18.4	176.2	-62.3	-167.7	-176.6	0	0	113.8	K30 R32 T79 S83	K30-E81 VanDerWaalsContact CE-O 3.3Å; K30-E81 WeakPolarHBondContact CE-O 3.24Å; K30-E81 PolarHBondContact NZ-O 2.83Å; R32-E81 PolarHBondContact NE-O 2.84Å; R32-E81 PolarHBondContact NH2-O 2.77Å; R32-E81 IonicContact NH2-OE2 3.74Å; T79-E81 PolarHBondContact O-N 3.04Å; T79-E81 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82	D	89.1	Confident	90.2	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.059	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-86.5	-4	178.3	-54.9	-55	0	0	0	113.3	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.25Å; K30-D82 PolarHBondContact NZ-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD1 3.38Å; K59-D82 WeakPolarHBondContact CE-OD2 3.3Å; K59-D82 IonicContact NZ-OD1 2.96Å; K59-D82 PolarHBondContact NZ-OD1 2.76Å; K59-D82 IonicContact NZ-OD2 2.64Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å; L78-D82 HydrophobicContact CD2-CB 3.75Å; T79-D82 PolarHBondContact N-OD2 2.88Å; T79-D82 WeakPolarHBondContact O-CB 3.4Å; T79-D82 PolarHBondContact O-N 3.17Å; T79-D82 PolarHBondContact OG1-OD2 2.86Å; S80-D82 PolarHBondContact O-N 2.72Å; D82-A84 PolarHBondContact O-N 3.48Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.06Å
83	S	90.4	Very high	88.3	Confident	95 Å²	95	53.5 Å²	53.5	66%	0.664	31%	0.311	S	S	*	.			trans	-67.2	103.9	168.3	-167.3	0	0	0	0	109.5	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.34Å; S80-S83 PolarHBondContact O-N 3.29Å; E81-S83 VanDerWaalsContact C-N 3.31Å
84	A	91.8	Very high	86.4	Confident	26 Å²	26	63.7 Å²	63.7	22%	0.215	35%	0.349	C	S	.	.	S	Bend	trans	-163	166.9	-173.4	0	0	0	0	0	109.7	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.11Å; K30-A84 HydrophobicContact CG-CB 3.45Å; K30-A84 VanDerWaalsContact CG-CB 3.45Å; Q31-A84 WeakPolarHBondContact O-CA 3.41Å; Q31-A84 WeakPolarHBondContact O-CB 3.09Å; R32-A84 HydrophobicContact CG-CB 4.03Å; D82-A84 PolarHBondContact O-N 3.48Å; A84-Y86 HydrophobicContact CB-CE2 4.1Å; A84-Y86 WeakPolarHBondContact O-CD2 3.41Å
85	V	93.1	Very high	84.1	Confident	43 Å²	43	62.7 Å²	62.7	26%	0.261	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.9	165	-170.8	0	0	0	0	108.3	K30 Q31 F87 T101	K30-V85 CarbonylContact C-O 3.58Å; Q31-V85 PolarHBondContact N-O 3.23Å; Q31-V85 PolarHBondContact O-N 2.79Å; V85-F87 HydrophobicContact CB-CE1 4.34Å; V85-F87 HydrophobicContact CB-CE2 4.33Å; V85-F87 HydrophobicContact CB-CZ 3.91Å; V85-F87 HydrophobicContact CG1-CD1 4.08Å; V85-F87 HydrophobicContact CG1-CE1 3.31Å; V85-F87 HydrophobicContact CG1-CE2 4.11Å; V85-F87 HydrophobicContact CG1-CZ 3.35Å; V85-T101 VanDerWaalsContact CG1-O 3.26Å; V85-T101 WeakPolarHBondContact CG1-O 3.33Å
86	Y	94.3	Very high	82.2	Confident	34 Å²	34	70.9 Å²	70.9	13%	0.133	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131	179.8	-67.1	-86.3	0	0	0	109.9	I12 V29 K30 I40 M73 L75 D82 A84	I12-Y86 HydrophobicContact CD1-CD1 4.42Å; I12-Y86 HydrophobicContact CD1-CD2 3.89Å; I12-Y86 HydrophobicContact CD1-CG 3.82Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 3.93Å; K30-Y86 HydrophobicContact CG-CD1 4.25Å; K30-Y86 HydrophobicContact CG-CE1 3.7Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.07Å; L75-Y86 HydrophobicContact CD1-CD1 4.3Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 4.13Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.49Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.06Å; A84-Y86 HydrophobicContact CB-CE2 4.1Å; A84-Y86 WeakPolarHBondContact O-CD2 3.41Å
87	F	93.9	Very high	80.3	Confident	44 Å²	44	77.5 Å²	77.5	19%	0.193	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.9	-177.9	-55.4	-59	0	0	0	110.4	W28 V29 Q31 L37 V85	W28-F87 WeakPolarHBondContact CA-O 3.46Å; V29-F87 HydrophobicContact CB-CB 4.48Å; V29-F87 PolarHBondContact N-O 3.06Å; V29-F87 PolarHBondContact O-N 2.81Å; Q31-F87 HydrophobicContact CB-CD2 4.31Å; Q31-F87 HydrophobicContact CB-CE2 3.62Å; Q31-F87 HydrophobicContact CG-CE2 4.42Å; Q31-F87 VanDerWaalsContact OE1-CE2 3.28Å; L37-F87 HydrophobicContact CD2-CD2 4.18Å; L37-F87 HydrophobicContact CD2-CE2 4.14Å; V85-F87 HydrophobicContact CB-CE1 4.34Å; V85-F87 HydrophobicContact CB-CE2 4.33Å; V85-F87 HydrophobicContact CB-CZ 3.91Å; V85-F87 HydrophobicContact CG1-CD1 4.08Å; V85-F87 HydrophobicContact CG1-CE1 3.31Å; V85-F87 HydrophobicContact CG1-CE2 4.11Å; V85-F87 HydrophobicContact CG1-CZ 3.35Å
88	C	94.1	Very high	78.7	Confident	38 Å²	38	75.9 Å²	75.9	26%	0.257	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	144	163.8	63	0	0	0	0	109.7	C14 M26 N27 W28	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.32Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.04Å; M26-C88 HydrophobicContact CG-CB 4.42Å; M26-C88 HydrophobicContact SD-CB 3.89Å; N27-C88 CarbonylContact O-C 3.52Å; N27-C88 WeakPolarHBondContact O-CA 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.4Å; W28-C88 HydrophobicContact CE3-CB 4.21Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å
89	A	91.3	Very high	76.7	Confident	6 Å²	6	84.9 Å²	84.9	5%	0.05	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	132.6	177.9	0	0	0	0	0	110.8	N27 E91 W97	N27-A89 WeakPolarHBondContact CB-O 3.25Å; N27-A89 PolarHBondContact N-O 3.37Å; N27-A89 PolarHBondContact O-N 2.96Å; A89-E91 PolarHBondContact O-N 2.98Å; A89-W97 HydrophobicContact CB-CD2 4.3Å; A89-W97 HydrophobicContact CB-CE3 3.44Å; A89-W97 VanDerWaalsContact CB-CE3 3.44Å; A89-W97 HydrophobicContact CB-CZ3 3.83Å
90	R	89.4	Confident	74.5	Confident	76 Å²	76	83.9 Å²	83.9	29%	0.287	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	126.6	168.5	179.5	179	65.3	-178	-1.3	109.1	Y19 L92	Y19-R90 HydrophobicContact CE1-CB 4.47Å; Y19-R90 VanDerWaalsContact CE2-CD 3.41Å; Y19-R90 HydrophobicContact CE2-CG 3.99Å; Y19-R90 VanDerWaalsContact CZ-CD 3.48Å; R90-L92 HydrophobicContact CG-CG 4.24Å; R90-L92 VanDerWaalsContact CZ-CD2 3.43Å; R90-L92 VanDerWaalsContact NE-CD2 3.31Å; R90-L92 VanDerWaalsContact NE-CG 3.29Å; R90-L92 VanDerWaalsContact NH2-CD1 3.26Å; R90-L92 PolarHBondContact O-N 3.48Å
91	E	78.6	Confident	72.3	Confident	66 Å²	66	84.1 Å²	84.1	31%	0.308	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-69.8	119.2	162	-153.2	166.4	152.2	0	0	107.9	W25 N27 R42 A89	W25-E91 HydrophobicContact CB-CB 3.58Å; W25-E91 HydrophobicContact CB-CG 4.44Å; W25-E91 WeakPolarHBondContact CB-OE2 3.47Å; W25-E91 PolarHBondContact O-N 3.26Å; N27-E91 WeakPolarHBondContact ND2-CB 3.32Å; N27-E91 PolarHBondContact ND2-OE2 3.45Å; R42-E91 WeakPolarHBondContact CD-OE2 3.27Å; R42-E91 IonicContact CZ-OE2 3.73Å; R42-E91 IonicContact NE-OE2 3.96Å; R42-E91 IonicContact NH1-OE1 2.92Å; R42-E91 PolarHBondContact NH1-OE1 3.36Å; R42-E91 IonicContact NH1-OE2 2.77Å; R42-E91 PolarHBondContact NH1-OE2 2.6Å; A89-E91 PolarHBondContact O-N 2.98Å
92	L	66.2	Low	70.1	Confident	34 Å²	34	85.3 Å²	85.3	18%	0.178	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-99.9	147.5	169.2	-81.3	157.2	0	0	0	108.3	R90 R94 Y96	R90-L92 HydrophobicContact CG-CG 4.24Å; R90-L92 VanDerWaalsContact CZ-CD2 3.43Å; R90-L92 VanDerWaalsContact NE-CD2 3.31Å; R90-L92 VanDerWaalsContact NE-CG 3.29Å; R90-L92 VanDerWaalsContact NH2-CD1 3.26Å; R90-L92 PolarHBondContact O-N 3.48Å; L92-R94 WeakPolarHBondContact CB-O 3.45Å; L92-R94 CarbonylContact O-C 3.56Å; L92-R94 PolarHBondContact O-N 2.61Å; L92-Y96 HydrophobicContact CB-CD2 4.2Å; L92-Y96 HydrophobicContact CD1-CD2 3.2Å; L92-Y96 HydrophobicContact CD1-CE2 4.26Å; L92-Y96 HydrophobicContact CD1-CG 3.6Å; L92-Y96 HydrophobicContact CG-CD2 4.22Å
93	P	57.7	Low	69.1	Low	136 Å²	136	89.1 Å²	89.1	88%	0.883	49%	0.487	S	S	*	.	S	Bend	trans	-51.1	-17.9	168.1	-23.8	32.6	0	0	0	112.7
94	R	57.1	Low	68	Low	214 Å²	214	88.7 Å²	88.7	81%	0.808	48%	0.478	S	S	*	.	S	Bend	trans	-137.3	114.5	161.1	-70.9	-176.7	168.6	150.2	-2.9	109.3	L92 Y96	L92-R94 WeakPolarHBondContact CB-O 3.45Å; L92-R94 CarbonylContact O-C 3.56Å; L92-R94 PolarHBondContact O-N 2.61Å; R94-Y96 WeakPolarHBondContact O-CD2 3.49Å; R94-Y96 WeakPolarHBondContact O-CE2 3.4Å; R94-Y96 PolarHBondContact O-N 3.44Å
95	G	48.3	Very low	66.7	Low	64 Å²	64	92.2 Å²	92.2	66%	0.66	49%	0.493	S	S	*	.			trans	-54.2	115.1	-163.6	0	0	0	0	0	117.4
96	Y	52.6	Low	65.1	Low	172 Å²	172	95.1 Å²	95.1	68%	0.675	51%	0.506	S	S	*	.			trans	-115.6	130.6	158.7	-53.9	-112.1	0	0	0	108.5	L92 R94	L92-Y96 HydrophobicContact CB-CD2 4.2Å; L92-Y96 HydrophobicContact CD1-CD2 3.2Å; L92-Y96 HydrophobicContact CD1-CE2 4.26Å; L92-Y96 HydrophobicContact CD1-CG 3.6Å; L92-Y96 HydrophobicContact CG-CD2 4.22Å; R94-Y96 WeakPolarHBondContact O-CD2 3.49Å; R94-Y96 WeakPolarHBondContact O-CE2 3.4Å; R94-Y96 PolarHBondContact O-N 3.44Å
97	W	54.3	Low	63.3	Low	172 Å²	172	98.9 Å²	98.9	65%	0.652	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-91.9	141.5	179.6	-67.5	88	0	0	0	110.5	V29 A89	V29-W97 HydrophobicContact CG2-CH2 4.16Å; V29-W97 HydrophobicContact CG2-CZ3 3.77Å; A89-W97 HydrophobicContact CB-CD2 4.3Å; A89-W97 HydrophobicContact CB-CE3 3.44Å; A89-W97 VanDerWaalsContact CB-CE3 3.44Å; A89-W97 HydrophobicContact CB-CZ3 3.83Å
98	G	56.7	Low	61.3	Low	48 Å²	48	102.6 Å²	102.6	50%	0.495	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-75.4	162.6	175.5	0	0	0	0	0	112.8	G100	G98-G100 PolarHBondContact O-N 3.01Å
99	Q	49.3	Very low	58.9	Low	206 Å²	206	107.2 Å²	107.2	96%	0.963	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-74.2	118.3	172.9	-75.5	-167.9	-15.9	0	0	109.9
100	G	43.3	Very low	56.4	Low	44 Å²	44	115 Å²	115	45%	0.454	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-68.4	151	177.9	0	0	0	0	0	113.7	G98	G98-G100 PolarHBondContact O-N 3.01Å
101	T	41	Very low	53.7	Low	115 Å²	115	118.3 Å²	118.3	71%	0.706	64%	0.641	S	S	*	*			trans	-113.1	148.2	177	-128.2	0	0	0	0	110.9	V85	V85-T101 VanDerWaalsContact CG1-O 3.26Å; V85-T101 WeakPolarHBondContact CG1-O 3.33Å
102	T	39.3	Very low	51.4	Low	148 Å²	148	123 Å²	123	91%	0.908	67%	0.671	S	S	*	*			trans	-95.2	0	177.8	37.6	0	0	0	0	114.8

Retrieved 102 of 102 residues in 32.8 ms (Link to these results)

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