X5J532_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J532, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J532_MOUSE|X5J532
PEPVKPGASVKISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARELPRGYWGQGTTLTVSS
					

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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	63.3	Low	89.3	Confident	145 Å²	145	87.1 Å²	87.1	94%	0.942	51%	0.505	S	S	*	.				0	136.2	0	-19.4	32.7	0	0	0	109.5
2	E	76.6	Confident	89.9	Confident	175 Å²	175	80.9 Å²	80.9	82%	0.818	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-71	141.7	176.7	-164.9	174	-179.6	0	0	110.1
3	P	86.3	Confident	90.5	Very high	67 Å²	67	80.5 Å²	80.5	44%	0.435	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-60.5	139.6	175.6	-20.7	32.4	0	0	0	111.3	T104	P3-T104 WeakPolarHBondContact CA-O 3.46Å
4	V	92.9	Very high	90.9	Very high	33 Å²	33	75.8 Å²	75.8	20%	0.2	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-95.4	148.8	175.4	-59.2	0	0	0	0	110.7	V10 L78 L103 T104 V105 S106	V4-V10 HydrophobicContact CB-CG1 4.38Å; V4-V10 HydrophobicContact CG1-CG1 3.87Å; V4-V10 HydrophobicContact CG2-CG1 4.33Å; V4-L78 HydrophobicContact CG2-CD1 3.55Å; V4-L103 HydrophobicContact CG1-CD1 4.23Å; V4-L103 HydrophobicContact CG2-CD1 3.8Å; V4-T104 PolarHBondContact N-O 3.26Å; V4-V105 HydrophobicContact CG2-CB 4.24Å; V4-V105 HydrophobicContact CG2-CG1 4.33Å; V4-V105 HydrophobicContact CG2-CG2 3.74Å; V4-V105 CarbonylContact O-C 3.59Å; V4-V105 VanDerWaalsContact O-CA 3.31Å; V4-V105 WeakPolarHBondContact O-CA 3.47Å; V4-S106 PolarHBondContact O-N 2.64Å
5	K	92.7	Very high	91.2	Very high	162 Å²	162	81.3 Å²	81.3	70%	0.704	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-75.7	152.1	179	-62.9	-176.8	-178	-179.3	0	111.3	A8	K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.02Å
6	P	94.3	Very high	91.2	Very high	66 Å²	66	76.9 Å²	76.9	43%	0.429	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	148.6	172.6	-17.6	34.5	0	0	0	110.2	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.23Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.21Å; P6-V105 HydrophobicContact CG-CG1 4.34Å; P6-S106 WeakPolarHBondContact CD-O 3.41Å; P6-S106 VanDerWaalsContact CG-O 3.29Å; P6-S106 WeakPolarHBondContact CG-O 3.34Å
7	G	93.6	Very high	91.1	Very high	53 Å²	53	78.2 Å²	78.2	55%	0.546	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-15.2	-175.1	0	0	0	0	0	114.8	L78	G7-L78 PolarHBondContact N-O 3.5Å
8	A	94.6	Very high	90.8	Very high	35 Å²	35	78.8 Å²	78.8	29%	0.289	48%	0.48	S	S	.	.			trans	-65.8	164	176	0	0	0	0	0	112	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.02Å; P6-A8 PolarHBondContact O-N 3.23Å; A8-S77 PolarHBondContact O-N 3.3Å; A8-L78 WeakPolarHBondContact O-CB 3.25Å; A8-L78 WeakPolarHBondContact O-CG 3.47Å; A8-L78 PolarHBondContact O-N 2.86Å
9	S	95.6	Very high	90.5	Very high	68 Å²	68	77.8 Å²	77.8	48%	0.476	47%	0.467	S	S	.	.			trans	-117.1	142.4	170.9	-57.8	0	0	0	0	109.9	L75	S9-L75 CarbonylContact C-O 3.46Å; S9-L75 WeakPolarHBondContact CA-O 3.45Å; S9-L75 WeakPolarHBondContact CB-O 3.3Å
10	V	95.7	Very high	90.4	Very high	28 Å²	28	76.9 Å²	76.9	17%	0.17	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.1	179	-57.5	0	0	0	0	110.6	V4 Q74 L75 L78 L103	V4-V10 HydrophobicContact CB-CG1 4.38Å; V4-V10 HydrophobicContact CG1-CG1 3.87Å; V4-V10 HydrophobicContact CG2-CG1 4.33Å; V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.29Å; V10-L75 HydrophobicContact CG2-CB 4.11Å; V10-L75 HydrophobicContact CG2-CD1 4.38Å; V10-L75 PolarHBondContact N-O 2.91Å; V10-L75 PolarHBondContact O-N 2.84Å; V10-L78 HydrophobicContact CB-CD1 4.27Å; V10-L78 HydrophobicContact CG1-CD1 3.53Å; V10-L78 HydrophobicContact CG2-CD1 3.88Å; V10-L103 HydrophobicContact CG1-CD1 4.16Å; V10-L103 HydrophobicContact CG2-CD1 4.08Å; V10-L103 HydrophobicContact CG2-CD2 3.87Å
11	K	96.9	Very high	90.4	Very high	126 Å²	126	73.4 Å²	73.4	55%	0.548	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.3	175.4	-171.4	175.1	179.2	-178.3	0	109.1	Y72	K11-Y72 HydrophobicContact CD-CD1 4.26Å; K11-Y72 HydrophobicContact CG-CD1 4.26Å
12	I	96.6	Very high	91.8	Very high	13 Å²	13	69.3 Å²	69.3	7%	0.067	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.8	175.6	-53.3	-177	0	0	0	107.6	W28 Y72 M73 L75 Y86 T101	I12-W28 HydrophobicContact CB-CH2 4.34Å; I12-W28 HydrophobicContact CB-CZ3 4.11Å; I12-W28 HydrophobicContact CG2-CH2 4.06Å; I12-W28 HydrophobicContact CG2-CZ3 3.7Å; I12-Y72 CarbonylContact O-C 3.55Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.47Å; I12-M73 HydrophobicContact CD1-CE 3.81Å; I12-M73 HydrophobicContact CG1-CE 4.48Å; I12-M73 PolarHBondContact N-O 3.09Å; I12-M73 PolarHBondContact O-N 2.84Å; I12-L75 HydrophobicContact CD1-CD1 4.37Å; I12-Y86 HydrophobicContact CD1-CD1 4.45Å; I12-Y86 HydrophobicContact CD1-CD2 3.89Å; I12-Y86 HydrophobicContact CD1-CG 3.75Å; I12-T101 HydrophobicContact CG2-CG2 4.41Å
13	S	96.9	Very high	92.5	Very high	75 Å²	75	64.1 Å²	64.1	52%	0.524	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	149.6	178.3	61.3	0	0	0	0	111.5	A71 Y72	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.16Å; S13-Y72 VanDerWaalsContact CB-CD1 3.5Å
14	C	96	Very high	92.7	Very high	15 Å²	15	62 Å²	62	10%	0.101	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	108.3	173.2	176.7	0	0	0	0	109.1	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.73Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 WeakPolarHBondContact O-CA 3.29Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 2.8Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.48Å; C14-C88 WeakPolarHBondContact SG-CB 3.5Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.1Å
15	K	95.3	Very high	92.8	Very high	159 Å²	159	63.9 Å²	63.9	69%	0.691	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.2	178.1	-173.1	171.8	-176.7	177.7	0	110
16	A	92.2	Very high	92.9	Very high	10 Å²	10	56.3 Å²	56.3	8%	0.083	36%	0.362	C	S	.	.			trans	-78	147.7	173.6	0	0	0	0	0	111.1	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.77Å; A16-Y19 HydrophobicContact CB-CE2 4.19Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 WeakPolarHBondContact CB-OH 3.38Å; A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 3.97Å; A16-M26 HydrophobicContact CB-CE 4.38Å; A16-S69 WeakPolarHBondContact CB-O 3.48Å; A16-S69 PolarHBondContact N-O 3Å
17	S	89.8	Confident	93	Very high	100 Å²	100	53.7 Å²	53.7	70%	0.699	35%	0.345	S	S	*	.			trans	-148	150.2	173	59.6	0	0	0	0	110	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 PolarHBondContact O-N 2.87Å
18	G	85.8	Confident	93.2	Very high	89 Å²	89	51.3 Å²	51.3	92%	0.918	32%	0.319	S	S	*	.	S	Bend	trans	77.3	12.2	175	0	0	0	0	0	116.2
19	Y	84.1	Confident	93.3	Very high	59 Å²	59	49.8 Å²	49.8	23%	0.231	31%	0.306	C	S	.	.	S	Bend	trans	-156.4	167.9	173.5	65.3	-84.3	0	0	0	112.1	A16 S17 F21 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.77Å; A16-Y19 HydrophobicContact CB-CE2 4.19Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 WeakPolarHBondContact CB-OH 3.38Å; S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 PolarHBondContact O-N 2.87Å; Y19-F21 HydrophobicContact CE2-CB 4.5Å; Y19-F21 HydrophobicContact CE2-CD2 4.48Å; Y19-F21 PolarHBondContact O-N 3.4Å; Y19-M26 VanDerWaalsContact OH-CE 3.26Å; Y19-M26 WeakPolarHBondContact OH-CE 3.25Å; Y19-R90 HydrophobicContact CE2-CG 4.07Å
20	A	89.2	Confident	93.3	Very high	59 Å²	59	46.6 Å²	46.6	49%	0.488	28%	0.284	S	S	.	.			trans	-71.9	95.6	173.4	0	0	0	0	0	110.6	S22 S23 S24	A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 3.16Å; A20-S23 VanDerWaalsContact CB-OG 3.25Å; A20-S23 WeakPolarHBondContact CB-OG 3.33Å; A20-S23 PolarHBondContact O-N 2.81Å; A20-S23 VanDerWaalsContact O-N 3.16Å; A20-S23 PolarHBondContact O-OG 3.13Å; A20-S23 VanDerWaalsContact O-OG 3.13Å; A20-S24 PolarHBondContact O-OG 3.06Å
21	F	91.1	Very high	93.3	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.022	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-58.6	-37.8	-177.5	175.3	-111.3	0	0	0	113.2	A16 Y19 S23 S24 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 3.97Å; Y19-F21 HydrophobicContact CE2-CB 4.5Å; Y19-F21 HydrophobicContact CE2-CD2 4.48Å; Y19-F21 PolarHBondContact O-N 3.4Å; F21-S23 PolarHBondContact O-N 2.92Å; F21-S24 PolarHBondContact O-N 3.18Å; F21-M26 HydrophobicContact CD2-CE 4.27Å; F21-M26 HydrophobicContact CE2-CE 3.82Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.05Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.46Å; F21-P45 VanDerWaalsContact CE1-CB 3.46Å; F21-P45 HydrophobicContact CE1-CG 3.62Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.47Å; F21-P45 HydrophobicContact CG-CG 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.79Å; F21-P45 HydrophobicContact CZ-CG 3.39Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; F21-A64 HydrophobicContact CE1-CB 4.1Å; F21-A64 HydrophobicContact CZ-CB 3.97Å; F21-S69 VanDerWaalsContact CD1-CA 3.46Å; F21-A71 HydrophobicContact CE2-CB 4.09Å; F21-A71 HydrophobicContact CZ-CB 3.9Å
22	S	92	Very high	93.1	Very high	59 Å²	59	45.9 Å²	45.9	41%	0.413	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-69.6	-12	179.8	52.8	0	0	0	0	114.6	A20 G46	A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 3.16Å; S22-G46 WeakPolarHBondContact O-CA 3.4Å; S22-G46 PolarHBondContact O-N 3.23Å; S22-G46 VanDerWaalsContact O-N 3.09Å
23	S	91.3	Very high	92.8	Very high	65 Å²	65	51 Å²	51	46%	0.455	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-114.8	15.8	-179.6	63.4	0	0	0	0	113.8	A20 F21 Y44	A20-S23 VanDerWaalsContact CB-OG 3.25Å; A20-S23 WeakPolarHBondContact CB-OG 3.33Å; A20-S23 PolarHBondContact O-N 2.81Å; A20-S23 VanDerWaalsContact O-N 3.16Å; A20-S23 PolarHBondContact O-OG 3.13Å; A20-S23 VanDerWaalsContact O-OG 3.13Å; F21-S23 PolarHBondContact O-N 2.92Å; S23-Y44 VanDerWaalsContact C-CE2 3.42Å; S23-Y44 WeakPolarHBondContact CA-OH 3.44Å
24	S	91	Very high	92.4	Very high	24 Å²	24	51.6 Å²	51.6	17%	0.168	33%	0.33	C	S	.	.	S	Bend	trans	-133.4	139.4	-176.5	-61.9	0	0	0	0	111.7	A20 F21 P45	A20-S24 PolarHBondContact O-OG 3.06Å; F21-S24 PolarHBondContact O-N 3.18Å; S24-P45 WeakPolarHBondContact O-CD 3.39Å
25	W	93.4	Very high	92.2	Very high	71 Å²	71	57.8 Å²	57.8	27%	0.269	36%	0.355	S	S	.	.			trans	-65.4	139.7	171.4	-72.2	97.5	0	0	0	111	R42 Y44 D49 R90	W25-R42 HydrophobicContact CD2-CG 4.25Å; W25-R42 HydrophobicContact CE3-CB 3.98Å; W25-R42 HydrophobicContact CE3-CG 3.45Å; W25-R42 VanDerWaalsContact CE3-CG 3.45Å; W25-R42 HydrophobicContact CZ3-CG 3.75Å; W25-Y44 AromaticContact CD2-CD2 3.92Å; W25-Y44 HydrophobicContact CD2-CD2 3.92Å; W25-Y44 HydrophobicContact CD2-CG 4.34Å; W25-Y44 AromaticContact CE2-CD2 3.82Å; W25-Y44 VanDerWaalsContact CE3-N 3.26Å; W25-Y44 HydrophobicContact CG-CD2 4.05Å; W25-Y44 HydrophobicContact CH2-CG 4.48Å; W25-Y44 HydrophobicContact CZ2-CD2 4.34Å; W25-Y44 HydrophobicContact CZ2-CG 4.24Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.47Å; W25-Y44 AromaticContact NE1-CD2 3.85Å; W25-D49 HydrophobicContact CH2-CB 3.99Å; W25-D49 WeakPolarHBondContact CH2-OD2 2.98Å; W25-D49 WeakPolarHBondContact CZ3-O 3.5Å; W25-R90 WeakPolarHBondContact O-CA 3.28Å
26	M	95.4	Very high	92	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.02	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.1	167.4	-175	66.6	72.1	0	0	109	A16 Y19 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.38Å; Y19-M26 VanDerWaalsContact OH-CE 3.26Å; Y19-M26 WeakPolarHBondContact OH-CE 3.25Å; F21-M26 HydrophobicContact CD2-CE 4.27Å; F21-M26 HydrophobicContact CE2-CE 3.82Å; M26-R42 CarbonylContact O-C 3.54Å; M26-R42 WeakPolarHBondContact O-CA 3.05Å; M26-R42 WeakPolarHBondContact O-CB 3.21Å; M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 3.03Å; M26-I43 PolarHBondContact O-N 2.88Å; M26-A71 HydrophobicContact CB-CB 4.13Å; M26-A71 HydrophobicContact CE-CB 4.42Å; M26-A71 HydrophobicContact CG-CB 3.65Å; M26-C88 HydrophobicContact CG-CB 4.43Å; M26-C88 HydrophobicContact SD-CB 3.74Å
27	N	96.4	Very high	92	Very high	11 Å²	11	56.9 Å²	56.9	6%	0.059	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	149.1	176.9	-59.3	-91.3	0	0	0	110.4	W39 G41 R42 C88 A89 R90 L92	N27-W39 PolarHBondContact OD1-NE1 2.95Å; N27-W39 VanDerWaalsContact OD1-NE1 3.17Å; N27-G41 CarbonylContact C-O 3.36Å; N27-G41 WeakPolarHBondContact CA-O 3.28Å; N27-R42 HydrophobicContact CB-CB 4.44Å; N27-R42 WeakPolarHBondContact OD1-CB 3.32Å; N27-C88 CarbonylContact O-C 3.53Å; N27-C88 WeakPolarHBondContact O-CA 3.35Å; N27-A89 WeakPolarHBondContact CA-O 3.38Å; N27-A89 HydrophobicContact CB-CB 4.47Å; N27-A89 VanDerWaalsContact CB-O 3.28Å; N27-A89 WeakPolarHBondContact CB-O 3.5Å; N27-A89 PolarHBondContact N-O 3.41Å; N27-A89 PolarHBondContact ND2-O 3.27Å; N27-A89 PolarHBondContact O-N 2.86Å; N27-R90 PolarHBondContact ND2-O 2.93Å; N27-R90 VanDerWaalsContact ND2-O 3.15Å; N27-L92 HydrophobicContact CB-CD1 3.74Å; N27-L92 HydrophobicContact CB-CG 4.14Å
28	W	97.4	Very high	92.3	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.008	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.9	172.9	-69.5	91.1	0	0	0	110	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.34Å; I12-W28 HydrophobicContact CB-CZ3 4.11Å; I12-W28 HydrophobicContact CG2-CH2 4.06Å; I12-W28 HydrophobicContact CG2-CZ3 3.7Å; C14-W28 HydrophobicContact CB-CH2 3.73Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.31Å; W28-I40 PolarHBondContact O-N 2.94Å; W28-G41 PolarHBondContact N-O 3.4Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 3.98Å; W28-A71 HydrophobicContact CZ2-CB 4.14Å; W28-M73 HydrophobicContact CB-SD 3.94Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.13Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.91Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.16Å; W28-M73 HydrophobicContact CG-SD 4.1Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.36Å; W28-F87 WeakPolarHBondContact CA-O 3.39Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.27Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å
29	V	96.7	Very high	92.8	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.5	-172.8	-176.6	0	0	0	0	109.4	L37 E38 Y86 F87 L92 W97	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.08Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.14Å; V29-F87 HydrophobicContact CB-CB 4.49Å; V29-F87 PolarHBondContact N-O 3.42Å; V29-F87 PolarHBondContact O-N 2.82Å; V29-L92 HydrophobicContact CG2-CD1 4.16Å; V29-L92 HydrophobicContact CG2-CD2 4.45Å; V29-W97 HydrophobicContact CB-CH2 4.32Å; V29-W97 HydrophobicContact CB-CZ3 3.92Å; V29-W97 HydrophobicContact CG1-CH2 4.25Å; V29-W97 HydrophobicContact CG1-CZ3 4.15Å; V29-W97 HydrophobicContact CG2-CH2 3.92Å; V29-W97 HydrophobicContact CG2-CZ3 3.84Å
30	K	96.3	Very high	93.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.2	174.1	-177.9	177.4	-179.1	175.5	0	109.5	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.03Å; K30-E38 PolarHBondContact O-N 3.18Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.12Å; K30-F56 HydrophobicContact CB-CZ 4.38Å; K30-F56 HydrophobicContact CD-CE1 3.88Å; K30-F56 HydrophobicContact CD-CZ 4Å; K30-E81 WeakPolarHBondContact CE-O 3.29Å; K30-E81 PolarHBondContact NZ-O 3.46Å; K30-D82 IonicContact NZ-OD1 3.65Å; K30-D82 PolarHBondContact NZ-OD1 2.86Å; K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.56Å; K30-Y86 HydrophobicContact CB-CD1 4.16Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.92Å; K30-Y86 WeakPolarHBondContact CE-OH 3.48Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.76Å
31	Q	95.8	Very high	93.8	Very high	73 Å²	73	47.5 Å²	47.5	34%	0.341	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	116.2	170.5	-168	-179.3	34.2	0	0	109.9	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; Q31-A84 WeakPolarHBondContact O-CA 3.07Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.25Å; Q31-V85 PolarHBondContact N-O 2.74Å; Q31-V85 PolarHBondContact O-N 2.77Å; Q31-F87 HydrophobicContact CB-CD2 4.35Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å
32	R	93.4	Very high	94	Very high	66 Å²	66	51.6 Å²	51.6	25%	0.249	30%	0.295	C	S	.	.			trans	-88.5	147.9	171.1	-65	-177.2	-179.8	129.3	-22.6	110.2	G34 K35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.8Å; R32-K35 HydrophobicContact CB-CB 3.96Å; R32-K35 HydrophobicContact CB-CG 3.96Å; R32-K35 PolarHBondContact O-N 2.91Å; R32-E38 IonicContact CZ-OE2 3.4Å; R32-E38 IonicContact NH1-OE1 3.84Å; R32-E38 IonicContact NH1-OE2 3.95Å; R32-E38 PolarHBondContact NH1-OE2 3.5Å; R32-E81 PolarHBondContact NE-O 2.82Å; R32-E81 PolarHBondContact NH2-O 3.34Å; R32-E81 VanDerWaalsContact NH2-O 3.16Å; R32-E81 IonicContact NH2-OE2 3.83Å; R32-A84 HydrophobicContact CG-CB 4.18Å
33	P	88.5	Confident	94.3	Very high	119 Å²	119	49 Å²	49	77%	0.773	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	129.3	172.9	-25.7	34.4	0	0	0	111.4	K35	P33-K35 PolarHBondContact O-N 2.66Å
34	G	89.7	Confident	94.5	Very high	89 Å²	89	48.8 Å²	48.8	92%	0.918	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	10.3	-179.4	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 2.8Å
35	K	91.1	Very high	94.7	Very high	144 Å²	144	47.7 Å²	47.7	63%	0.626	26%	0.258	S	S	*	.	S	Bend	trans	-120.4	160.9	175.8	-59	-68.8	-178.7	179.6	0	110.9	R32 P33	R32-K35 HydrophobicContact CB-CB 3.96Å; R32-K35 HydrophobicContact CB-CG 3.96Å; R32-K35 PolarHBondContact O-N 2.91Å; P33-K35 PolarHBondContact O-N 2.66Å
36	G	90.8	Very high	94.8	Very high	56 Å²	56	45.5 Å²	45.5	58%	0.577	26%	0.258	S	S	*	.			trans	-68.9	174	173.4	0	0	0	0	0	113
37	L	93.5	Very high	94.8	Very high	95 Å²	95	50.8 Å²	50.8	50%	0.497	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	129.9	173.3	-64	174.9	0	0	0	110.3	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; L37-W97 HydrophobicContact CD1-CH2 3.84Å; L37-W97 HydrophobicContact CD1-CZ2 4.33Å
38	E	95.4	Very high	94.7	Very high	37 Å²	37	52.2 Å²	52.2	17%	0.173	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	111.2	175.3	-62.7	-173.7	85.7	0	0	109.1	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.08Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.03Å; K30-E38 PolarHBondContact O-N 3.18Å; R32-E38 IonicContact CZ-OE2 3.4Å; R32-E38 IonicContact NH1-OE1 3.84Å; R32-E38 IonicContact NH1-OE2 3.95Å; R32-E38 PolarHBondContact NH1-OE2 3.5Å; E38-I40 PolarHBondContact O-N 2.99Å; E38-K55 IonicContact OE1-NZ 3.79Å; E38-F56 HydrophobicContact CB-CE2 4.35Å; E38-F56 HydrophobicContact CB-CZ 4.27Å
39	W	95.9	Very high	94.6	Very high	72 Å²	72	56.3 Å²	56.3	27%	0.273	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.2	175.4	-177.7	79	0	0	0	110.4	N27 G41 R42 N51 N53 L92	N27-W39 PolarHBondContact OD1-NE1 2.95Å; N27-W39 VanDerWaalsContact OD1-NE1 3.17Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 2.92Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.84Å; W39-N51 HydrophobicContact CH2-CB 4.39Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.36Å; W39-N53 HydrophobicContact CE3-CB 3.77Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.32Å; W39-N53 PolarHBondContact O-ND2 2.78Å; W39-L92 VanDerWaalsContact CD1-CD1 3.46Å
40	I	97.2	Very high	94.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-47.9	-177.1	-60.3	174	0	0	0	110	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.31Å; W28-I40 PolarHBondContact O-N 2.94Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.12Å; E38-I40 PolarHBondContact O-N 2.99Å; I40-N53 WeakPolarHBondContact O-CB 3.46Å; I40-N53 PolarHBondContact O-N 3.11Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.12Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.16Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.07Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; I40-A60 HydrophobicContact CG2-CB 3.74Å; I40-M73 HydrophobicContact CD1-CE 4.01Å; I40-M73 HydrophobicContact CD1-SD 3.52Å; I40-M73 VanDerWaalsContact CD1-SD 3.52Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41	G	97.1	Very high	94.7	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-179.3	-172.8	0	0	0	0	0	111.8	N27 W28 W39 N51	N27-G41 CarbonylContact C-O 3.36Å; N27-G41 WeakPolarHBondContact CA-O 3.28Å; W28-G41 PolarHBondContact N-O 3.4Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 2.92Å; G41-N51 CarbonylContact C-O 3.51Å; G41-N51 WeakPolarHBondContact CA-O 3.44Å
42	R	96.8	Very high	94.7	Very high	91 Å²	91	61.3 Å²	61.3	34%	0.343	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155	173.9	67.9	-176.5	-175.5	-171.4	-0.1	111.5	W25 M26 N27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.25Å; W25-R42 HydrophobicContact CE3-CB 3.98Å; W25-R42 HydrophobicContact CE3-CG 3.45Å; W25-R42 VanDerWaalsContact CE3-CG 3.45Å; W25-R42 HydrophobicContact CZ3-CG 3.75Å; M26-R42 CarbonylContact O-C 3.54Å; M26-R42 WeakPolarHBondContact O-CA 3.05Å; M26-R42 WeakPolarHBondContact O-CB 3.21Å; N27-R42 HydrophobicContact CB-CB 4.44Å; N27-R42 WeakPolarHBondContact OD1-CB 3.32Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.84Å; R42-T50 WeakPolarHBondContact O-CA 3.43Å; R42-N51 HydrophobicContact CG-CB 4.19Å; R42-N51 PolarHBondContact N-O 3.41Å; R42-N51 PolarHBondContact O-N 2.71Å
43	I	97.3	Very high	94.8	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.026	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.6	173.5	-177	165.8	0	0	0	109.9	M26 P45 D49 T50 L62 A64	M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 3.03Å; M26-I43 PolarHBondContact O-N 2.88Å; I43-P45 WeakPolarHBondContact O-CD 3.24Å; I43-D49 CarbonylContact C-O 3.53Å; I43-D49 VanDerWaalsContact CA-O 3.3Å; I43-D49 WeakPolarHBondContact CA-O 3.12Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.93Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.4Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; I43-A64 HydrophobicContact CD1-CB 3.93Å
44	Y	96.1	Very high	95.1	Very high	60 Å²	60	57.7 Å²	57.7	24%	0.235	35%	0.346	C	S	.	.			trans	-98	107.8	168.1	-168.1	-110.7	0	0	0	108.3	S23 W25 G46 D47 G48 D49	S23-Y44 VanDerWaalsContact C-CE2 3.42Å; S23-Y44 WeakPolarHBondContact CA-OH 3.44Å; W25-Y44 AromaticContact CD2-CD2 3.92Å; W25-Y44 HydrophobicContact CD2-CD2 3.92Å; W25-Y44 HydrophobicContact CD2-CG 4.34Å; W25-Y44 AromaticContact CE2-CD2 3.82Å; W25-Y44 VanDerWaalsContact CE3-N 3.26Å; W25-Y44 HydrophobicContact CG-CD2 4.05Å; W25-Y44 HydrophobicContact CH2-CG 4.48Å; W25-Y44 HydrophobicContact CZ2-CD2 4.34Å; W25-Y44 HydrophobicContact CZ2-CG 4.24Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.47Å; W25-Y44 AromaticContact NE1-CD2 3.85Å; Y44-G46 PolarHBondContact O-N 3.26Å; Y44-G46 VanDerWaalsContact O-N 3.1Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.18Å; Y44-G48 VanDerWaalsContact O-CA 3.28Å; Y44-G48 WeakPolarHBondContact O-CA 3.37Å; Y44-G48 PolarHBondContact O-N 3.29Å; Y44-D49 PolarHBondContact N-O 3.01Å
45	P	95.6	Very high	95.2	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.013	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.8	-174.4	-22.9	35.7	0	0	0	114	F21 S24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.05Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.46Å; F21-P45 VanDerWaalsContact CE1-CB 3.46Å; F21-P45 HydrophobicContact CE1-CG 3.62Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.47Å; F21-P45 HydrophobicContact CG-CG 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.79Å; F21-P45 HydrophobicContact CZ-CG 3.39Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; S24-P45 WeakPolarHBondContact O-CD 3.39Å; I43-P45 WeakPolarHBondContact O-CD 3.24Å; P45-A64 HydrophobicContact CB-CB 3.77Å; P45-A64 HydrophobicContact CG-CB 4.06Å; P45-K66 VanDerWaalsContact O-CD 3.29Å; P45-K66 WeakPolarHBondContact O-CD 3.47Å; P45-K66 WeakPolarHBondContact O-CE 3.46Å; P45-K66 WeakPolarHBondContact O-CG 3.28Å
46	G	94.2	Very high	95.4	Very high	25 Å²	25	54.6 Å²	54.6	26%	0.258	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-49.1	-178.9	0	0	0	0	0	113.3	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.4Å; S22-G46 PolarHBondContact O-N 3.23Å; S22-G46 VanDerWaalsContact O-N 3.09Å; Y44-G46 PolarHBondContact O-N 3.26Å; Y44-G46 VanDerWaalsContact O-N 3.1Å; G46-K66 PolarHBondContact O-NZ 2.98Å
47	D	94.9	Very high	95.5	Very high	114 Å²	114	59.8 Å²	59.8	61%	0.61	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-9.2	-178.1	54.8	21.7	0	0	0	113.2	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.18Å; D47-D49 VanDerWaalsContact OD1-CB 3.29Å; D47-D49 WeakPolarHBondContact OD1-CB 3.4Å; D47-D49 PolarHBondContact OD1-N 3.01Å
48	G	94.8	Very high	95.4	Very high	41 Å²	41	58.6 Å²	58.6	42%	0.423	33%	0.325	S	S	.	.			trans	84.3	11.3	-178	0	0	0	0	0	113.8	Y44 T50	Y44-G48 VanDerWaalsContact O-CA 3.28Å; Y44-G48 WeakPolarHBondContact O-CA 3.37Å; Y44-G48 PolarHBondContact O-N 3.29Å; G48-T50 PolarHBondContact O-N 3.27Å
49	D	96.4	Very high	95.4	Very high	89 Å²	89	58.8 Å²	58.8	48%	0.476	33%	0.325	S	S	.	.			trans	-60	138.3	176.4	-172.7	23.6	0	0	0	110.7	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.99Å; W25-D49 WeakPolarHBondContact CH2-OD2 2.98Å; W25-D49 WeakPolarHBondContact CZ3-O 3.5Å; I43-D49 CarbonylContact C-O 3.53Å; I43-D49 VanDerWaalsContact CA-O 3.3Å; I43-D49 WeakPolarHBondContact CA-O 3.12Å; Y44-D49 PolarHBondContact N-O 3.01Å; D47-D49 VanDerWaalsContact OD1-CB 3.29Å; D47-D49 WeakPolarHBondContact OD1-CB 3.4Å; D47-D49 PolarHBondContact OD1-N 3.01Å
50	T	97.3	Very high	95.5	Very high	48 Å²	48	55.5 Å²	55.5	29%	0.294	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.8	-176.7	54.7	0	0	0	0	111.4	R42 I43 G48 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.43Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.93Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; G48-T50 PolarHBondContact O-N 3.27Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.34Å; T50-L62 HydrophobicContact CG2-CB 4.12Å
51	N	96.4	Very high	95.5	Very high	77 Å²	77	58.6 Å²	58.6	41%	0.412	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.5	171.6	-173.9	-128.8	0	0	0	109.8	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.39Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.36Å; G41-N51 CarbonylContact C-O 3.51Å; G41-N51 WeakPolarHBondContact CA-O 3.44Å; R42-N51 HydrophobicContact CG-CB 4.19Å; R42-N51 PolarHBondContact N-O 3.41Å; R42-N51 PolarHBondContact O-N 2.71Å
52	Y	97.2	Very high	95.6	Very high	58 Å²	58	59 Å²	59	23%	0.227	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.4	-173.9	-66.4	-90.9	0	0	0	110.5	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.34Å; Y52-A60 HydrophobicContact CE1-CB 4.46Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.23Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.69Å
53	N	95.9	Very high	95.6	Very high	48 Å²	48	57.6 Å²	57.6	26%	0.257	34%	0.336	S	S	.	.			trans	-70.6	135.2	158.2	-176.9	-24.9	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.77Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.32Å; W39-N53 PolarHBondContact O-ND2 2.78Å; I40-N53 WeakPolarHBondContact O-CB 3.46Å; I40-N53 PolarHBondContact O-N 3.11Å; N53-K55 PolarHBondContact O-N 3.3Å; N53-K55 PolarHBondContact OD1-N 2.99Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.81Å; N53-K57 PolarHBondContact O-N 2.82Å
54	G	94.1	Very high	95.6	Very high	61 Å²	61	59.1 Å²	59.1	63%	0.629	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-51.6	-33.7	-178.9	0	0	0	0	0	114	F56 K57	G54-F56 PolarHBondContact O-N 2.93Å; G54-K57 PolarHBondContact O-N 3.23Å
55	K	92.4	Very high	95.6	Very high	156 Å²	156	58.9 Å²	58.9	68%	0.678	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.5	177.5	-68.8	-177.4	177	-179.1	0	114.4	E38 N53	E38-K55 IonicContact OE1-NZ 3.79Å; N53-K55 PolarHBondContact O-N 3.3Å; N53-K55 PolarHBondContact OD1-N 2.99Å
56	F	94.8	Very high	95.5	Very high	12 Å²	12	64.4 Å²	64.4	5%	0.053	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-109.7	-1.4	-174.5	-62.9	-85.7	0	0	0	112.7	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.38Å; K30-F56 HydrophobicContact CD-CE1 3.88Å; K30-F56 HydrophobicContact CD-CZ 4Å; E38-F56 HydrophobicContact CB-CE2 4.35Å; E38-F56 HydrophobicContact CB-CZ 4.27Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.12Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.16Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.07Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.81Å; G54-F56 PolarHBondContact O-N 2.93Å; F56-G58 PolarHBondContact O-N 3.17Å; F56-K59 WeakPolarHBondContact O-CB 3.16Å; F56-K59 PolarHBondContact O-N 3.15Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 2.86Å
57	K	92.6	Very high	95.4	Very high	164 Å²	164	68.5 Å²	68.5	71%	0.713	40%	0.4	S	S	*	.	B	Isolated β-bridge	trans	-62.2	125.4	175.6	-165.1	175.2	-175.5	179.6	0	109.3	N53 G54 K59	N53-K57 PolarHBondContact O-N 2.82Å; G54-K57 PolarHBondContact O-N 3.23Å; K57-K59 PolarHBondContact O-N 3.07Å
58	G	91.9	Very high	95.4	Very high	71 Å²	71	64.8 Å²	64.8	73%	0.732	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-18.8	-174.7	0	0	0	0	0	114.8	F56	F56-G58 PolarHBondContact O-N 3.17Å
59	K	95	Very high	95.5	Very high	41 Å²	41	64.7 Å²	64.7	18%	0.178	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-41.9	173.3	-174.7	69.1	177.2	-165.9	0	112.1	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CB 3.16Å; F56-K59 PolarHBondContact O-N 3.15Å; K57-K59 PolarHBondContact O-N 3.07Å; K59-L75 WeakPolarHBondContact O-CA 3.38Å; K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 3.28Å; K59-S76 WeakPolarHBondContact CE-O 3.22Å; K59-S76 PolarHBondContact NZ-O 2.91Å; K59-S76 PolarHBondContact O-N 2.88Å; K59-S77 PolarHBondContact NZ-O 2.76Å; K59-D82 WeakPolarHBondContact CE-OD1 3.36Å; K59-D82 WeakPolarHBondContact CE-OD2 3.49Å; K59-D82 IonicContact NZ-OD1 2.71Å; K59-D82 IonicContact NZ-OD2 2.8Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å
60	A	97.3	Very high	95.5	Very high	3 Å²	3	61 Å²	61	3%	0.025	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.9	-178.8	0	0	0	0	0	111	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.74Å; Y52-A60 HydrophobicContact CE1-CB 4.46Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.23Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 2.86Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.42Å; A60-Q74 CarbonylContact C-O 3.53Å; A60-Q74 VanDerWaalsContact CA-O 3.32Å; A60-Q74 WeakPolarHBondContact CA-O 3.32Å; A60-L75 HydrophobicContact CB-CD2 3.95Å
61	T	97.9	Very high	95.5	Very high	64 Å²	64	58.7 Å²	58.7	39%	0.393	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.1	169.5	-59.2	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.23Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.02Å
62	L	98.1	Very high	95.6	Very high	9 Å²	9	57.3 Å²	57.3	5%	0.047	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.2	179	-52.5	-176	0	0	0	110.4	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 3.98Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.4Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; T50-L62 HydrophobicContact CG2-CB 4.12Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.69Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.32Å
63	T	97.6	Very high	95.6	Very high	62 Å²	62	54.6 Å²	54.6	38%	0.38	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	162.9	174.5	56	0	0	0	0	110.2	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T63-Y72 PolarHBondContact N-O 2.98Å; T63-Y72 PolarHBondContact O-N 3.3Å
64	A	97.1	Very high	95.7	Very high	36 Å²	36	56.2 Å²	56.2	30%	0.298	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	142	177.2	0	0	0	0	0	110.9	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.1Å; F21-A64 HydrophobicContact CZ-CB 3.97Å; I43-A64 HydrophobicContact CD1-CB 3.93Å; P45-A64 HydrophobicContact CB-CB 3.77Å; P45-A64 HydrophobicContact CG-CB 4.06Å; A64-T70 WeakPolarHBondContact CA-O 3.26Å
65	D	95.9	Very high	95.8	Very high	55 Å²	55	53.3 Å²	53.3	29%	0.294	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.5	170.3	173.8	10.7	0	0	0	108.9	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.45Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 2.78Å; D65-S67 PolarHBondContact OD2-OG 2.88Å; D65-S68 WeakPolarHBondContact CB-OG 3.19Å; D65-S68 WeakPolarHBondContact OD2-CB 3.45Å; D65-S68 PolarHBondContact OD2-OG 2.85Å; D65-S69 WeakPolarHBondContact O-CA 3.01Å; D65-S69 PolarHBondContact O-N 3.01Å; D65-S69 VanDerWaalsContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 2.85Å; D65-T70 PolarHBondContact O-N 2.93Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å
66	K	93.8	Very high	96	Very high	119 Å²	119	47.2 Å²	47.2	52%	0.517	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-33.4	-178.2	-55.4	-178.1	-139.3	-171.3	0	111.5	P45 G46 S69	P45-K66 VanDerWaalsContact O-CD 3.29Å; P45-K66 WeakPolarHBondContact O-CD 3.47Å; P45-K66 WeakPolarHBondContact O-CE 3.46Å; P45-K66 WeakPolarHBondContact O-CG 3.28Å; G46-K66 PolarHBondContact O-NZ 2.98Å; K66-S69 PolarHBondContact O-N 3.47Å
67	S	92.7	Very high	96	Very high	110 Å²	110	50.5 Å²	50.5	77%	0.769	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-41.4	-176	71.7	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.45Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 2.78Å; D65-S67 PolarHBondContact OD2-OG 2.88Å
68	S	95.3	Very high	96.1	Very high	37 Å²	37	42.7 Å²	42.7	26%	0.259	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	1.1	177	64.2	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.19Å; D65-S68 WeakPolarHBondContact OD2-CB 3.45Å; D65-S68 PolarHBondContact OD2-OG 2.85Å; S68-T70 PolarHBondContact O-N 2.94Å; S68-T70 PolarHBondContact O-OG1 3.01Å; S68-T70 WeakPolarHBondContact OG-CB 2.99Å; S68-T70 PolarHBondContact OG-OG1 3.31Å
69	S	95.6	Very high	96.2	Very high	39 Å²	39	42.1 Å²	42.1	27%	0.273	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	41.5	-172.7	-64	0	0	0	0	112.9	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.48Å; A16-S69 PolarHBondContact N-O 3Å; F21-S69 VanDerWaalsContact CD1-CA 3.46Å; D65-S69 WeakPolarHBondContact O-CA 3.01Å; D65-S69 PolarHBondContact O-N 3.01Å; D65-S69 VanDerWaalsContact O-N 3.1Å; K66-S69 PolarHBondContact O-N 3.47Å
70	T	96.9	Very high	96.1	Very high	10 Å²	10	44.1 Å²	44.1	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.9	-173.2	-57.3	0	0	0	0	110.8	C14 A64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.29Å; A64-T70 WeakPolarHBondContact CA-O 3.26Å; D65-T70 PolarHBondContact N-O 2.85Å; D65-T70 PolarHBondContact O-N 2.93Å; S68-T70 PolarHBondContact O-N 2.94Å; S68-T70 PolarHBondContact O-OG1 3.01Å; S68-T70 WeakPolarHBondContact OG-CB 2.99Å; S68-T70 PolarHBondContact OG-OG1 3.31Å; T70-Y72 HydrophobicContact CG2-CD1 4.17Å; T70-Y72 HydrophobicContact CG2-CD2 4.49Å; T70-Y72 HydrophobicContact CG2-CE1 3.55Å; T70-Y72 HydrophobicContact CG2-CE2 3.89Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.01Å; T70-Y72 WeakPolarHBondContact O-CE2 3.46Å
71	A	97.2	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	151.6	168.5	0	0	0	0	0	109.9	S13 C14 F21 M26 W28	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.16Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 2.8Å; F21-A71 HydrophobicContact CE2-CB 4.09Å; F21-A71 HydrophobicContact CZ-CB 3.9Å; M26-A71 HydrophobicContact CB-CB 4.13Å; M26-A71 HydrophobicContact CE-CB 4.42Å; M26-A71 HydrophobicContact CG-CB 3.65Å; W28-A71 HydrophobicContact CZ2-CB 4.14Å
72	Y	97.9	Very high	95.7	Very high	49 Å²	49	47.5 Å²	47.5	19%	0.192	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143	177.8	-53.6	-85.6	0	0	0	111	K11 I12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.26Å; K11-Y72 HydrophobicContact CG-CD1 4.26Å; I12-Y72 CarbonylContact O-C 3.55Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.47Å; S13-Y72 VanDerWaalsContact CB-CD1 3.5Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; T63-Y72 PolarHBondContact N-O 2.98Å; T63-Y72 PolarHBondContact O-N 3.3Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.17Å; T70-Y72 HydrophobicContact CG2-CD2 4.49Å; T70-Y72 HydrophobicContact CG2-CE1 3.55Å; T70-Y72 HydrophobicContact CG2-CE2 3.89Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.01Å; T70-Y72 WeakPolarHBondContact O-CE2 3.46Å
73	M	98	Very high	95.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.2	167.1	177.8	-178.5	69.3	0	0	108.5	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.81Å; I12-M73 HydrophobicContact CG1-CE 4.48Å; I12-M73 PolarHBondContact N-O 3.09Å; I12-M73 PolarHBondContact O-N 2.84Å; W28-M73 HydrophobicContact CB-SD 3.94Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.13Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.91Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.16Å; W28-M73 HydrophobicContact CG-SD 4.1Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.36Å; I40-M73 HydrophobicContact CD1-CE 4.01Å; I40-M73 HydrophobicContact CD1-SD 3.52Å; I40-M73 VanDerWaalsContact CD1-SD 3.52Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.42Å; T61-M73 WeakPolarHBondContact O-CA 3.23Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.32Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.15Å; M73-L75 HydrophobicContact CE-CG 3.95Å; M73-L75 HydrophobicContact CG-CD2 4.37Å; M73-L75 HydrophobicContact CG-CG 4.42Å; M73-L75 HydrophobicContact SD-CD2 4.09Å; M73-L75 HydrophobicContact SD-CG 4.42Å; M73-Y86 HydrophobicContact CE-CD1 3.46Å; M73-Y86 VanDerWaalsContact CE-CD1 3.46Å; M73-Y86 HydrophobicContact CE-CE1 4.06Å; M73-Y86 HydrophobicContact CE-CG 4.03Å
74	Q	97.8	Very high	95.5	Very high	82 Å²	82	46 Å²	46	38%	0.383	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.3	169.8	-178	172.3	-13.6	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.29Å; A60-Q74 CarbonylContact C-O 3.53Å; A60-Q74 VanDerWaalsContact CA-O 3.32Å; A60-Q74 WeakPolarHBondContact CA-O 3.32Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.02Å
75	L	96.8	Very high	95.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129	172	-65	170.1	0	0	0	108.8	S9 V10 I12 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.46Å; S9-L75 WeakPolarHBondContact CA-O 3.45Å; S9-L75 WeakPolarHBondContact CB-O 3.3Å; V10-L75 HydrophobicContact CG2-CB 4.11Å; V10-L75 HydrophobicContact CG2-CD1 4.38Å; V10-L75 PolarHBondContact N-O 2.91Å; V10-L75 PolarHBondContact O-N 2.84Å; I12-L75 HydrophobicContact CD1-CD1 4.37Å; K59-L75 WeakPolarHBondContact O-CA 3.38Å; A60-L75 HydrophobicContact CB-CD2 3.95Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.15Å; M73-L75 HydrophobicContact CE-CG 3.95Å; M73-L75 HydrophobicContact CG-CD2 4.37Å; M73-L75 HydrophobicContact CG-CG 4.42Å; M73-L75 HydrophobicContact SD-CD2 4.09Å; M73-L75 HydrophobicContact SD-CG 4.42Å; L75-L78 HydrophobicContact CB-CD2 3.77Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.21Å; L75-Y86 HydrophobicContact CD1-CE1 3.6Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; L75-L103 HydrophobicContact CD1-CD2 3.98Å
76	S	95.6	Very high	95.5	Very high	28 Å²	28	43.6 Å²	43.6	20%	0.196	25%	0.254	C	S	.	.			trans	-107	155.2	-176	-49.8	0	0	0	0	111.7	K59 L78	K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 3.28Å; K59-S76 WeakPolarHBondContact CE-O 3.22Å; K59-S76 PolarHBondContact NZ-O 2.91Å; K59-S76 PolarHBondContact O-N 2.88Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.83Å
77	S	95	Very high	95.7	Very high	80 Å²	80	39.4 Å²	39.4	56%	0.559	24%	0.236	S	C	*	.	S	Bend	trans	50.3	51.3	171.4	-54	0	0	0	0	112.8	A8 K59	A8-S77 PolarHBondContact O-N 3.3Å; K59-S77 PolarHBondContact NZ-O 2.76Å
78	L	95.2	Very high	95.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.203	C	C	.	.			trans	-58.5	146.2	-171.3	-72.8	177.2	0	0	0	113.3	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CG2-CD1 3.55Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.21Å; G7-L78 PolarHBondContact N-O 3.5Å; A8-L78 WeakPolarHBondContact O-CB 3.25Å; A8-L78 WeakPolarHBondContact O-CG 3.47Å; A8-L78 PolarHBondContact O-N 2.86Å; V10-L78 HydrophobicContact CB-CD1 4.27Å; V10-L78 HydrophobicContact CG1-CD1 3.53Å; V10-L78 HydrophobicContact CG2-CD1 3.88Å; L75-L78 HydrophobicContact CB-CD2 3.77Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.83Å; L78-D82 HydrophobicContact CD2-CB 3.64Å; L78-L103 HydrophobicContact CD1-CD2 4.11Å; L78-L103 HydrophobicContact CD2-CD2 4Å; L78-V105 HydrophobicContact CB-CG1 4.29Å; L78-V105 HydrophobicContact CB-CG2 4.1Å; L78-V105 HydrophobicContact CD1-CG2 4.22Å
79	T	94.4	Very high	95.8	Very high	59 Å²	59	33 Å²	33	36%	0.362	19%	0.191	S	C	.	.			trans	-127.5	166.3	176.8	63.2	0	0	0	0	109.6	E81 D82 V105	T79-E81 PolarHBondContact O-N 2.85Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.42Å; T79-D82 PolarHBondContact O-N 3.13Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; T79-V105 WeakPolarHBondContact O-CB 3.41Å; T79-V105 WeakPolarHBondContact O-CG2 3.46Å
80	S	92.5	Very high	95.4	Very high	82 Å²	82	33.6 Å²	33.6	57%	0.573	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-54.5	-32.2	175.2	53.3	0	0	0	0	112.5	D82 S83	S80-D82 PolarHBondContact O-N 3.16Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 2.98Å; S80-S83 PolarHBondContact O-N 2.79Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 3.46Å
81	E	91.3	Very high	94.6	Very high	128 Å²	128	37.8 Å²	37.8	60%	0.598	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-67.8	-14.1	176.7	-60.3	-169.5	179.9	0	0	114.7	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.29Å; K30-E81 PolarHBondContact NZ-O 3.46Å; R32-E81 PolarHBondContact NE-O 2.82Å; R32-E81 PolarHBondContact NH2-O 3.34Å; R32-E81 VanDerWaalsContact NH2-O 3.16Å; R32-E81 IonicContact NH2-OE2 3.83Å; T79-E81 PolarHBondContact O-N 2.85Å; T79-E81 VanDerWaalsContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.28Å
82	D	94.3	Very high	93.6	Very high	10 Å²	10	41 Å²	41	5%	0.053	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-83.2	-6.4	174.6	-61.9	-52.7	0	0	0	112.9	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.65Å; K30-D82 PolarHBondContact NZ-OD1 2.86Å; K59-D82 WeakPolarHBondContact CE-OD1 3.36Å; K59-D82 WeakPolarHBondContact CE-OD2 3.49Å; K59-D82 IonicContact NZ-OD1 2.71Å; K59-D82 IonicContact NZ-OD2 2.8Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å; L78-D82 HydrophobicContact CD2-CB 3.64Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.42Å; T79-D82 PolarHBondContact O-N 3.13Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; S80-D82 PolarHBondContact O-N 3.16Å; D82-A84 PolarHBondContact O-N 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.83Å; D82-V105 HydrophobicContact CB-CG2 4.25Å
83	S	95.4	Very high	91.8	Very high	34 Å²	34	43.9 Å²	43.9	24%	0.238	25%	0.248	C	C	.	.			trans	-64.9	114.2	171.7	-56.6	0	0	0	0	110.5	S80 E81 L103 V105	S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 2.98Å; S80-S83 PolarHBondContact O-N 2.79Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 3.46Å; E81-S83 VanDerWaalsContact C-N 3.28Å; S83-L103 CarbonylContact C-O 3.57Å; S83-L103 VanDerWaalsContact CA-O 3.25Å; S83-L103 WeakPolarHBondContact CA-O 3.45Å; S83-V105 PolarHBondContact OG-N 3.25Å; S83-V105 PolarHBondContact OG-O 3.09Å
84	A	96.4	Very high	90.3	Very high	6 Å²	6	55.5 Å²	55.5	5%	0.05	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	171.6	-172.3	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.56Å; Q31-A84 WeakPolarHBondContact O-CA 3.07Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.25Å; R32-A84 HydrophobicContact CG-CB 4.18Å; D82-A84 PolarHBondContact O-N 3.32Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; A84-L103 PolarHBondContact N-O 2.6Å; A84-L103 PolarHBondContact O-N 2.81Å
85	V	96.9	Very high	89.4	Confident	38 Å²	38	52.4 Å²	52.4	23%	0.23	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.7	162	-169.6	0	0	0	0	108.4	Q31 F87	Q31-V85 PolarHBondContact N-O 2.74Å; Q31-V85 PolarHBondContact O-N 2.77Å; V85-F87 HydrophobicContact CB-CE2 3.74Å; V85-F87 HydrophobicContact CB-CZ 3.92Å; V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE1 3.87Å; V85-F87 HydrophobicContact CG1-CE2 3.52Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å
86	Y	97.3	Very high	89	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.1	178.5	-68.4	-90.9	0	0	0	109.9	I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	I12-Y86 HydrophobicContact CD1-CD1 4.45Å; I12-Y86 HydrophobicContact CD1-CD2 3.89Å; I12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.14Å; K30-Y86 HydrophobicContact CB-CD1 4.16Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.92Å; K30-Y86 WeakPolarHBondContact CE-OH 3.48Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.76Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.46Å; M73-Y86 VanDerWaalsContact CE-CD1 3.46Å; M73-Y86 HydrophobicContact CE-CE1 4.06Å; M73-Y86 HydrophobicContact CE-CG 4.03Å; L75-Y86 HydrophobicContact CD1-CD1 4.21Å; L75-Y86 HydrophobicContact CD1-CE1 3.6Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.83Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; Y86-G100 CarbonylContact O-C 3.5Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.29Å; Y86-T101 PolarHBondContact N-O 3.1Å; Y86-T101 PolarHBondContact O-N 2.99Å; Y86-L103 HydrophobicContact CD2-CB 3.91Å; Y86-L103 HydrophobicContact CD2-CD2 4.4Å; Y86-L103 HydrophobicContact CE2-CB 3.75Å; Y86-L103 HydrophobicContact CE2-CD2 3.72Å; Y86-L103 HydrophobicContact CE2-CG 4.35Å
87	F	96.5	Very high	88.8	Confident	31 Å²	31	63.1 Å²	63.1	14%	0.136	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.7	-178.7	-58.9	-88.6	0	0	0	110.5	W28 V29 Q31 V85 W97	W28-F87 WeakPolarHBondContact CA-O 3.39Å; V29-F87 HydrophobicContact CB-CB 4.49Å; V29-F87 PolarHBondContact N-O 3.42Å; V29-F87 PolarHBondContact O-N 2.82Å; Q31-F87 HydrophobicContact CB-CD2 4.35Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å; V85-F87 HydrophobicContact CB-CE2 3.74Å; V85-F87 HydrophobicContact CB-CZ 3.92Å; V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE1 3.87Å; V85-F87 HydrophobicContact CG1-CE2 3.52Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; F87-W97 HydrophobicContact CB-CE3 3.76Å; F87-W97 HydrophobicContact CB-CZ3 3.89Å; F87-W97 HydrophobicContact CG-CE3 4.26Å; F87-W97 HydrophobicContact CG-CZ3 4.42Å
88	C	95.6	Very high	88.7	Confident	13 Å²	13	60.6 Å²	60.6	9%	0.088	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.2	161.4	60.7	0	0	0	0	110	C14 M26 N27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.48Å; C14-C88 WeakPolarHBondContact SG-CB 3.5Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.1Å; M26-C88 HydrophobicContact CG-CB 4.43Å; M26-C88 HydrophobicContact SD-CB 3.74Å; N27-C88 CarbonylContact O-C 3.53Å; N27-C88 WeakPolarHBondContact O-CA 3.35Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.27Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å; C88-G98 PolarHBondContact O-N 3.38Å
89	A	94.3	Very high	88.6	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.008	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	138.6	177.9	0	0	0	0	0	112.4	N27 L92 Y96 W97	N27-A89 WeakPolarHBondContact CA-O 3.38Å; N27-A89 HydrophobicContact CB-CB 4.47Å; N27-A89 VanDerWaalsContact CB-O 3.28Å; N27-A89 WeakPolarHBondContact CB-O 3.5Å; N27-A89 PolarHBondContact N-O 3.41Å; N27-A89 PolarHBondContact ND2-O 3.27Å; N27-A89 PolarHBondContact O-N 2.86Å; A89-L92 HydrophobicContact CB-CD2 3.72Å; A89-L92 HydrophobicContact CB-CG 4.37Å; A89-Y96 CarbonylContact C-O 3.48Å; A89-Y96 WeakPolarHBondContact CA-O 3.48Å; A89-W97 HydrophobicContact CB-CD2 3.78Å; A89-W97 HydrophobicContact CB-CE3 3.84Å; A89-W97 HydrophobicContact CB-CG 4.24Å; A89-W97 HydrophobicContact CB-CZ2 4.48Å; A89-W97 HydrophobicContact CB-CZ3 4.21Å
90	R	89	Confident	88.6	Confident	50 Å²	50	68.2 Å²	68.2	19%	0.189	34%	0.344	C	S	.	.	S	Bend	trans	-73.7	-49.8	178.1	-168.6	-176.5	79.8	-165	6	112	Y19 W25 N27 Y96	Y19-R90 HydrophobicContact CE2-CG 4.07Å; W25-R90 WeakPolarHBondContact O-CA 3.28Å; N27-R90 PolarHBondContact ND2-O 2.93Å; N27-R90 VanDerWaalsContact ND2-O 3.15Å; R90-Y96 PolarHBondContact N-O 2.98Å
91	E	79.6	Confident	88.7	Confident	98 Å²	98	67.4 Å²	67.4	46%	0.458	34%	0.336	S	S	.	.	S	Bend	trans	-129.8	133.4	-177.2	-73.9	159.6	-138.6	0	0	108.8	G95	E91-G95 WeakPolarHBondContact O-CA 3.05Å; E91-G95 PolarHBondContact O-N 3.26Å
92	L	75.3	Confident	88.9	Confident	67 Å²	67	64.9 Å²	64.9	35%	0.351	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	145.1	176.5	-68.5	177.9	0	0	0	109.9	N27 V29 W39 A89 W97	N27-L92 HydrophobicContact CB-CD1 3.74Å; N27-L92 HydrophobicContact CB-CG 4.14Å; V29-L92 HydrophobicContact CG2-CD1 4.16Å; V29-L92 HydrophobicContact CG2-CD2 4.45Å; W39-L92 VanDerWaalsContact CD1-CD1 3.46Å; A89-L92 HydrophobicContact CB-CD2 3.72Å; A89-L92 HydrophobicContact CB-CG 4.37Å; L92-W97 HydrophobicContact CD2-CH2 3.34Å; L92-W97 HydrophobicContact CD2-CZ2 3.11Å; L92-W97 HydrophobicContact CD2-CZ3 4.23Å
93	P	60.5	Low	89	Confident	110 Å²	110	65.2 Å²	65.2	71%	0.714	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.1	-16.2	1.7	33.8	-32.4	0	0	0	115.1	W97	P93-W97 PolarHBondContact O-NE1 3.05Å
94	R	67.3	Low	88.9	Confident	245 Å²	245	66.8 Å²	66.8	93%	0.925	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	13	-173.5	-69.6	-172.5	176.5	143.3	-1.1	115
95	G	78	Confident	88.8	Confident	17 Å²	17	66.9 Å²	66.9	18%	0.175	34%	0.339	C	S	.	.	S	Bend	trans	-82.6	-163.3	-178.1	0	0	0	0	0	114.1	E91	E91-G95 WeakPolarHBondContact O-CA 3.05Å; E91-G95 PolarHBondContact O-N 3.26Å
96	Y	87.8	Confident	88.4	Confident	162 Å²	162	67.4 Å²	67.4	64%	0.635	35%	0.345	S	S	*	.			trans	-78.8	126.2	-179	-61.5	-86.5	0	0	0	111.4	A89 R90	A89-Y96 CarbonylContact C-O 3.48Å; A89-Y96 WeakPolarHBondContact CA-O 3.48Å; R90-Y96 PolarHBondContact N-O 2.98Å
97	W	92.3	Very high	87.2	Confident	91 Å²	91	75.1 Å²	75.1	35%	0.345	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-109.5	144.2	178.2	-67.3	81	0	0	0	111.1	V29 L37 F87 A89 L92 P93	V29-W97 HydrophobicContact CB-CH2 4.32Å; V29-W97 HydrophobicContact CB-CZ3 3.92Å; V29-W97 HydrophobicContact CG1-CH2 4.25Å; V29-W97 HydrophobicContact CG1-CZ3 4.15Å; V29-W97 HydrophobicContact CG2-CH2 3.92Å; V29-W97 HydrophobicContact CG2-CZ3 3.84Å; L37-W97 HydrophobicContact CD1-CH2 3.84Å; L37-W97 HydrophobicContact CD1-CZ2 4.33Å; F87-W97 HydrophobicContact CB-CE3 3.76Å; F87-W97 HydrophobicContact CB-CZ3 3.89Å; F87-W97 HydrophobicContact CG-CE3 4.26Å; F87-W97 HydrophobicContact CG-CZ3 4.42Å; A89-W97 HydrophobicContact CB-CD2 3.78Å; A89-W97 HydrophobicContact CB-CE3 3.84Å; A89-W97 HydrophobicContact CB-CG 4.24Å; A89-W97 HydrophobicContact CB-CZ2 4.48Å; A89-W97 HydrophobicContact CB-CZ3 4.21Å; L92-W97 HydrophobicContact CD2-CH2 3.34Å; L92-W97 HydrophobicContact CD2-CZ2 3.11Å; L92-W97 HydrophobicContact CD2-CZ3 4.23Å; P93-W97 PolarHBondContact O-NE1 3.05Å
98	G	92.6	Very high	86.7	Confident	27 Å²	27	77.4 Å²	77.4	28%	0.278	41%	0.413	S	S	.	.			trans	-71.8	164.1	164.6	0	0	0	0	0	111.6	C88 G100	C88-G98 PolarHBondContact O-N 3.38Å; G98-G100 PolarHBondContact O-N 3.29Å; G98-G100 VanDerWaalsContact O-N 3.09Å
99	Q	92.8	Very high	86.3	Confident	193 Å²	193	80.7 Å²	80.7	90%	0.902	43%	0.43	S	S	*	.			trans	-62.9	-16.4	179.4	-64.9	-63.5	-29.6	0	0	113.9
100	G	94.1	Very high	85.8	Confident	27 Å²	27	85.2 Å²	85.2	28%	0.278	45%	0.453	S	S	.	.			trans	86.9	156	-175.4	0	0	0	0	0	112.6	Y86 G98	Y86-G100 CarbonylContact O-C 3.5Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.29Å; G98-G100 PolarHBondContact O-N 3.29Å; G98-G100 VanDerWaalsContact O-N 3.09Å
101	T	95.7	Very high	85.6	Confident	65 Å²	65	87.2 Å²	87.2	40%	0.399	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119.2	175	-61.7	0	0	0	0	108.8	I12 Y86 L103	I12-T101 HydrophobicContact CG2-CG2 4.41Å; Y86-T101 PolarHBondContact N-O 3.1Å; Y86-T101 PolarHBondContact O-N 2.99Å; T101-L103 PolarHBondContact O-N 2.92Å
102	T	95.9	Very high	86	Confident	75 Å²	75	86.6 Å²	86.6	46%	0.46	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.2	174.9	-53.2	0	0	0	0	109.8
103	L	94.9	Very high	86.7	Confident	17 Å²	17	87.9 Å²	87.9	9%	0.089	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.9	170.7	179.5	66.4	0	0	0	108.4	V4 V10 L75 L78 S83 A84 Y86 T101 V105	V4-L103 HydrophobicContact CG1-CD1 4.23Å; V4-L103 HydrophobicContact CG2-CD1 3.8Å; V10-L103 HydrophobicContact CG1-CD1 4.16Å; V10-L103 HydrophobicContact CG2-CD1 4.08Å; V10-L103 HydrophobicContact CG2-CD2 3.87Å; L75-L103 HydrophobicContact CD1-CD2 3.98Å; L78-L103 HydrophobicContact CD1-CD2 4.11Å; L78-L103 HydrophobicContact CD2-CD2 4Å; S83-L103 CarbonylContact C-O 3.57Å; S83-L103 VanDerWaalsContact CA-O 3.25Å; S83-L103 WeakPolarHBondContact CA-O 3.45Å; A84-L103 PolarHBondContact N-O 2.6Å; A84-L103 PolarHBondContact O-N 2.81Å; Y86-L103 HydrophobicContact CD2-CB 3.91Å; Y86-L103 HydrophobicContact CD2-CD2 4.4Å; Y86-L103 HydrophobicContact CE2-CB 3.75Å; Y86-L103 HydrophobicContact CE2-CD2 3.72Å; Y86-L103 HydrophobicContact CE2-CG 4.35Å; T101-L103 PolarHBondContact O-N 2.92Å; L103-V105 HydrophobicContact CG-CG2 4.43Å
104	T	95.1	Very high	88.6	Confident	67 Å²	67	86.3 Å²	86.3	41%	0.411	46%	0.46	S	S	.	.			trans	-119.4	122.7	175.2	-56.5	0	0	0	0	108.5	P3 V4	P3-T104 WeakPolarHBondContact CA-O 3.46Å; V4-T104 PolarHBondContact N-O 3.26Å
105	V	93.3	Very high	90.2	Very high	8 Å²	8	74.1 Å²	74.1	5%	0.048	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-104.8	109	175.2	-170.4	0	0	0	0	107.8	V4 P6 L78 T79 D82 S83 L103	V4-V105 HydrophobicContact CG2-CB 4.24Å; V4-V105 HydrophobicContact CG2-CG1 4.33Å; V4-V105 HydrophobicContact CG2-CG2 3.74Å; V4-V105 CarbonylContact O-C 3.59Å; V4-V105 VanDerWaalsContact O-CA 3.31Å; V4-V105 WeakPolarHBondContact O-CA 3.47Å; P6-V105 HydrophobicContact CG-CG1 4.34Å; L78-V105 HydrophobicContact CB-CG1 4.29Å; L78-V105 HydrophobicContact CB-CG2 4.1Å; L78-V105 HydrophobicContact CD1-CG2 4.22Å; T79-V105 WeakPolarHBondContact O-CB 3.41Å; T79-V105 WeakPolarHBondContact O-CG2 3.46Å; D82-V105 HydrophobicContact CB-CG2 4.25Å; S83-V105 PolarHBondContact OG-N 3.25Å; S83-V105 PolarHBondContact OG-O 3.09Å; L103-V105 HydrophobicContact CG-CG2 4.43Å
106	S	88.3	Confident	91.2	Very high	50 Å²	50	78.8 Å²	78.8	35%	0.35	45%	0.445	S	S	.	.			trans	-84.4	137.5	178.2	54.6	0	0	0	0	110.2	V4 P6	V4-S106 PolarHBondContact O-N 2.64Å; P6-S106 WeakPolarHBondContact CD-O 3.41Å; P6-S106 VanDerWaalsContact CG-O 3.29Å; P6-S106 WeakPolarHBondContact CG-O 3.34Å
107	S	72.2	Confident	91.6	Very high	164 Å²	164	71.3 Å²	71.3	100%	1.147	43%	0.428	S	S	*	.			trans	-66.2	0	170.5	55	0	0	0	0	112.4

Retrieved 107 of 107 residues in 23 ms (Link to these results)

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