X5J5P5_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5P5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J5P5_MOUSE|X5J5P5
PELVKPGASVKISCKASSYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFRGKATLTADKSSGTAYMQLSSLTSEDSAVYFCARELPRGYWGQGTTLTVSS
					

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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	Low	88.8	Confident	146 Å²	146	80.7 Å²	80.7	95%	0.948	47%	0.467	S	S	*	.				0	117.2	0	-12.3	29.7	0	0	0	109.6	T102	P1-T102 CarbonylContact C-O 3.6Å; P1-T102 VanDerWaalsContact CA-O 3.24Å; P1-T102 WeakPolarHBondContact CA-O 2.75Å; P1-T102 HydrophobicContact CB-CG2 4.36Å
2	E	78.9	Confident	89.4	Confident	85 Å²	85	74.4 Å²	74.4	40%	0.397	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.7	177.3	-162.9	175.5	168.1	0	0	108.9	V4 V10 T102 L103 T104	E2-V4 HydrophobicContact CG-CG1 3.92Å; E2-V10 VanDerWaalsContact OE1-CG2 3.23Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.44Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.39Å; E2-T102 PolarHBondContact N-O 3.36Å; E2-L103 HydrophobicContact CB-CD1 4.08Å; E2-T104 PolarHBondContact O-N 2.64Å
3	L	87.2	Confident	89.8	Confident	130 Å²	130	74.1 Å²	74.1	68%	0.681	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.3	176.5	-178.4	66.3	0	0	0	108.8	T104	L3-T104 WeakPolarHBondContact CA-O 3.32Å; L3-T104 HydrophobicContact CD1-CG2 3.94Å
4	V	91.4	Very high	90.1	Very high	18 Å²	18	69.8 Å²	69.8	11%	0.109	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154	-175.6	-59.4	0	0	0	0	111.4	E2 L78 L103 T104 V105 S106	E2-V4 HydrophobicContact CG-CG1 3.92Å; V4-L78 HydrophobicContact CB-CD1 4.44Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; V4-L103 HydrophobicContact CG1-CD1 4.06Å; V4-L103 HydrophobicContact CG2-CD1 3.83Å; V4-L103 HydrophobicContact CG2-CG 4.48Å; V4-T104 PolarHBondContact N-O 2.92Å; V4-V105 HydrophobicContact CG2-CB 4.23Å; V4-V105 HydrophobicContact CG2-CG1 4.31Å; V4-V105 HydrophobicContact CG2-CG2 3.75Å; V4-V105 CarbonylContact O-C 3.47Å; V4-V105 WeakPolarHBondContact O-CA 3.44Å; V4-S106 PolarHBondContact O-N 3.44Å; V4-S106 PolarHBondContact O-OG 3.49Å
5	K	91	Very high	90.2	Very high	161 Å²	161	75.8 Å²	75.8	70%	0.7	43%	0.429	S	S	*	.			trans	-81.5	153.3	176.3	-63.3	-178.1	-178.9	-178.9	0	110.8	A8	K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 3.23Å
6	P	93.2	Very high	90	Very high	66 Å²	66	72.6 Å²	72.6	43%	0.429	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	145.4	168.8	-26.6	36.2	0	0	0	112	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.03Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; P6-V105 HydrophobicContact CG-CG1 4.29Å; P6-S106 WeakPolarHBondContact CD-O 3.42Å; P6-S106 WeakPolarHBondContact CG-O 3.27Å
7	G	92.1	Very high	89.4	Confident	53 Å²	53	76.1 Å²	76.1	55%	0.546	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-13.5	-178.5	0	0	0	0	0	114.6	L78	G7-L78 PolarHBondContact N-O 2.82Å
8	A	93.8	Very high	88.4	Confident	35 Å²	35	74.4 Å²	74.4	29%	0.289	44%	0.438	S	S	.	.			trans	-65.1	163.4	175	0	0	0	0	0	111.8	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 3.23Å; P6-A8 PolarHBondContact O-N 3.03Å; A8-S77 PolarHBondContact O-N 2.91Å; A8-L78 WeakPolarHBondContact O-CB 3.49Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.03Å; A8-L78 PolarHBondContact O-N 2.84Å
9	S	95	Very high	87.2	Confident	69 Å²	69	82.7 Å²	82.7	48%	0.483	46%	0.463	S	S	.	.			trans	-115.9	142.2	169.2	-58	0	0	0	0	109.4	L75 S76	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.27Å; S9-L75 WeakPolarHBondContact CB-O 3.46Å; S9-S76 WeakPolarHBondContact OG-CA 2.98Å
10	V	95.1	Very high	86.9	Confident	5 Å²	5	80.1 Å²	80.1	3%	0.03	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.6	178.1	69.1	0	0	0	0	110.2	E2 I12 Q74 L75 L78 L103	E2-V10 VanDerWaalsContact OE1-CG2 3.23Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.44Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.39Å; V10-I12 HydrophobicContact CG1-CG1 4.43Å; V10-I12 HydrophobicContact CG2-CG1 4.47Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.14Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 3.29Å; V10-L75 PolarHBondContact O-N 2.89Å; V10-L78 HydrophobicContact CB-CD1 4.07Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD2 4.5Å; V10-L103 HydrophobicContact CB-CD1 4.42Å; V10-L103 HydrophobicContact CG1-CD1 4.1Å; V10-L103 HydrophobicContact CG1-CD2 3.84Å; V10-L103 HydrophobicContact CG2-CD1 4.27Å
11	K	96.1	Very high	86.9	Confident	120 Å²	120	76.9 Å²	76.9	52%	0.522	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.7	174.5	-173	177.4	-179.9	-177.8	0	109.5	Y72	K11-Y72 HydrophobicContact CD-CD1 4.27Å; K11-Y72 VanDerWaalsContact CE-CB 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å
12	I	95.8	Very high	88.1	Confident	5 Å²	5	72.6 Å²	72.6	3%	0.026	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.9	177.5	-58.9	170.3	0	0	0	108.3	V10 W28 Y72 M73 L75 Y86 T101	V10-I12 HydrophobicContact CG1-CG1 4.43Å; V10-I12 HydrophobicContact CG2-CG1 4.47Å; I12-W28 HydrophobicContact CB-CH2 4.38Å; I12-W28 HydrophobicContact CB-CZ3 4.19Å; I12-W28 HydrophobicContact CG2-CH2 3.99Å; I12-W28 HydrophobicContact CG2-CZ3 3.66Å; I12-Y72 CarbonylContact O-C 3.55Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.41Å; I12-M73 HydrophobicContact CD1-CE 3.76Å; I12-M73 PolarHBondContact N-O 2.02Å; I12-M73 PolarHBondContact O-N 2.8Å; I12-L75 HydrophobicContact CD1-CD1 4.23Å; I12-Y86 HydrophobicContact CD1-CD2 3.9Å; I12-Y86 HydrophobicContact CD1-CG 3.82Å; I12-T101 HydrophobicContact CG2-CG2 4.37Å
13	S	95.3	Very high	88.5	Confident	70 Å²	70	71.7 Å²	71.7	49%	0.49	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.1	178.2	62.7	0	0	0	0	111.8	A71	S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å
14	C	93.5	Very high	88.6	Confident	14 Å²	14	66.5 Å²	66.5	10%	0.095	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	107.4	172.9	176.4	0	0	0	0	109	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; C14-T70 WeakPolarHBondContact O-CA 3.46Å; C14-A71 PolarHBondContact N-O 2.86Å; C14-A71 PolarHBondContact O-N 2.76Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 2.95Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.86Å
15	K	92.3	Very high	88.6	Confident	160 Å²	160	68.9 Å²	68.9	70%	0.696	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	123	178.6	-172.1	172	-174.6	177	0	109.8	T70	K15-T70 HydrophobicContact CB-CG2 4.47Å
16	A	86.8	Confident	88.7	Confident	24 Å²	24	61.9 Å²	61.9	20%	0.198	36%	0.361	C	S	.	.			trans	-81.8	141.2	173.7	0	0	0	0	0	110.4	F21 M26 G69	A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.51Å; A16-F21 HydrophobicContact CB-CE2 4.38Å; A16-F21 HydrophobicContact CB-CG 4.09Å; A16-M26 HydrophobicContact CB-CE 4.49Å; A16-G69 PolarHBondContact N-O 2.8Å
17	S	79.2	Confident	88.8	Confident	133 Å²	133	59.2 Å²	59.2	93%	0.93	34%	0.343	S	S	*	.			trans	-85.8	-15	177	53.2	0	0	0	0	113.5
18	S	71.3	Confident	89	Confident	46 Å²	46	56.8 Å²	56.8	32%	0.322	32%	0.318	S	S	.	.	S	Bend	trans	-106.5	149.3	-170.6	67.6	0	0	0	0	113.4	A20 F21	S18-A20 PolarHBondContact O-N 3.2Å; S18-A20 VanDerWaalsContact O-N 3.07Å; S18-F21 PolarHBondContact O-N 3.12Å
19	Y	66.6	Low	89.1	Confident	232 Å²	232	55.2 Å²	55.2	91%	0.91	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-55.1	-24	172.7	-170.1	-99.6	0	0	0	114.1	F21	Y19-F21 PolarHBondContact O-N 3.13Å; Y19-F21 VanDerWaalsContact O-N 3.15Å
20	A	80.2	Confident	89.2	Confident	29 Å²	29	52 Å²	52	24%	0.24	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-77.4	12	-178.7	0	0	0	0	0	115.3	S18 S22 S23 S24	S18-A20 PolarHBondContact O-N 3.2Å; S18-A20 VanDerWaalsContact O-N 3.07Å; A20-S22 VanDerWaalsContact C-N 3.34Å; A20-S22 PolarHBondContact O-N 2.82Å; A20-S23 PolarHBondContact O-N 3.35Å; A20-S23 PolarHBondContact O-OG 3.08Å; A20-S24 WeakPolarHBondContact O-CB 3.32Å; A20-S24 PolarHBondContact O-N 2.99Å; A20-S24 PolarHBondContact O-OG 3.27Å
21	F	86.3	Confident	89.2	Confident	14 Å²	14	55.3 Å²	55.3	6%	0.061	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-58.1	-44.4	-179	175.6	-106.3	0	0	0	112.7	A16 S18 Y19 S23 M26 P45 A64 D65 A71	A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.51Å; A16-F21 HydrophobicContact CB-CE2 4.38Å; A16-F21 HydrophobicContact CB-CG 4.09Å; S18-F21 PolarHBondContact O-N 3.12Å; Y19-F21 PolarHBondContact O-N 3.13Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; F21-S23 PolarHBondContact O-N 3.18Å; F21-M26 HydrophobicContact CD2-CE 4.28Å; F21-M26 HydrophobicContact CE2-CE 4.21Å; F21-P45 HydrophobicContact CD1-CB 3.99Å; F21-P45 HydrophobicContact CD1-CG 4.34Å; F21-P45 HydrophobicContact CD2-CG 4.23Å; F21-P45 HydrophobicContact CE1-CB 3.55Å; F21-P45 HydrophobicContact CE1-CG 3.93Å; F21-P45 HydrophobicContact CE2-CB 4.37Å; F21-P45 HydrophobicContact CE2-CG 3.81Å; F21-P45 HydrophobicContact CG-CG 4.5Å; F21-P45 HydrophobicContact CZ-CB 3.76Å; F21-P45 HydrophobicContact CZ-CG 3.64Å; F21-P45 VanDerWaalsContact O-CG 3.3Å; F21-P45 WeakPolarHBondContact O-CG 3.39Å; F21-A64 HydrophobicContact CE1-CB 4.35Å; F21-A64 HydrophobicContact CZ-CB 3.99Å; F21-D65 WeakPolarHBondContact CE1-O 3.41Å; F21-A71 HydrophobicContact CE2-CB 3.94Å; F21-A71 HydrophobicContact CZ-CB 4.07Å
22	S	88.1	Confident	89	Confident	55 Å²	55	53 Å²	53	39%	0.385	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-74	-12.2	-179.5	54.9	0	0	0	0	113.9	A20 G46	A20-S22 VanDerWaalsContact C-N 3.34Å; A20-S22 PolarHBondContact O-N 2.82Å; S22-G46 WeakPolarHBondContact O-CA 3.48Å; S22-G46 PolarHBondContact O-N 3.25Å; S22-G46 VanDerWaalsContact O-N 3.08Å
23	S	88.4	Confident	88.7	Confident	67 Å²	67	58.3 Å²	58.3	47%	0.469	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-115.8	12.3	-175.9	59.5	0	0	0	0	114	A20 F21 Y44	A20-S23 PolarHBondContact O-N 3.35Å; A20-S23 PolarHBondContact O-OG 3.08Å; F21-S23 PolarHBondContact O-N 3.18Å; S23-Y44 VanDerWaalsContact C-CE2 3.44Å; S23-Y44 WeakPolarHBondContact CA-OH 3.39Å; S23-Y44 WeakPolarHBondContact O-CE2 3.26Å; S23-Y44 PolarHBondContact O-OH 2.91Å
24	S	88.4	Confident	88.4	Confident	21 Å²	21	59.2 Å²	59.2	15%	0.147	34%	0.341	C	S	.	.	S	Bend	trans	-134	144.4	-177.6	-55.3	0	0	0	0	111.6	A20 P45	A20-S24 WeakPolarHBondContact O-CB 3.32Å; A20-S24 PolarHBondContact O-N 2.99Å; A20-S24 PolarHBondContact O-OG 3.27Å; S24-P45 WeakPolarHBondContact O-CD 3.39Å
25	W	91.8	Very high	88.3	Confident	68 Å²	68	65.5 Å²	65.5	26%	0.258	37%	0.366	S	S	.	.			trans	-63.9	140.3	170.3	-72.2	97.5	0	0	0	110.9	R42 Y44 D49 R90	W25-R42 HydrophobicContact CD2-CG 4.17Å; W25-R42 HydrophobicContact CE3-CB 3.97Å; W25-R42 HydrophobicContact CE3-CG 3.41Å; W25-R42 VanDerWaalsContact CE3-CG 3.41Å; W25-R42 HydrophobicContact CZ3-CG 3.77Å; W25-Y44 AromaticContact CD1-CD2 3.99Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.37Å; W25-Y44 AromaticContact CE2-CD2 3.87Å; W25-Y44 HydrophobicContact CG-CD2 4.05Å; W25-Y44 HydrophobicContact CZ2-CD2 4.42Å; W25-Y44 HydrophobicContact CZ2-CG 4.35Å; W25-Y44 AromaticContact NE1-CD2 3.87Å; W25-D49 HydrophobicContact CH2-CB 3.92Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.2Å; W25-D49 WeakPolarHBondContact CZ3-O 3.33Å; W25-R90 CarbonylContact O-C 3.52Å; W25-R90 WeakPolarHBondContact O-CA 3.43Å
26	M	93.6	Very high	88.2	Confident	13 Å²	13	60.5 Å²	60.5	6%	0.064	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.5	169.2	-173.5	62.6	68.4	0	0	109	A16 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.49Å; F21-M26 HydrophobicContact CD2-CE 4.28Å; F21-M26 HydrophobicContact CE2-CE 4.21Å; M26-R42 CarbonylContact O-C 3.53Å; M26-R42 WeakPolarHBondContact O-CA 3.32Å; M26-R42 WeakPolarHBondContact O-CB 3.37Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.66Å; M26-I43 PolarHBondContact O-N 2.96Å; M26-A71 HydrophobicContact CB-CB 4.24Å; M26-A71 HydrophobicContact CG-CB 3.74Å; M26-C88 HydrophobicContact CG-CB 4.44Å; M26-C88 HydrophobicContact SD-CB 3.84Å
27	N	95.2	Very high	88.5	Confident	10 Å²	10	64 Å²	64	5%	0.053	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	148.6	178.5	-59	-91.1	0	0	0	110.4	W39 G41 R42 C88 A89 R90 L92	N27-W39 PolarHBondContact OD1-NE1 3.15Å; N27-W39 VanDerWaalsContact OD1-NE1 3.11Å; N27-G41 CarbonylContact C-O 3.51Å; N27-G41 WeakPolarHBondContact CA-O 3.3Å; N27-R42 HydrophobicContact CB-CB 4.44Å; N27-R42 WeakPolarHBondContact OD1-CB 3.45Å; N27-C88 CarbonylContact O-C 3.55Å; N27-C88 WeakPolarHBondContact O-CA 3.42Å; N27-A89 WeakPolarHBondContact CA-O 3.3Å; N27-A89 HydrophobicContact CB-CB 4.5Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 3.49Å; N27-A89 PolarHBondContact N-O 3.32Å; N27-A89 PolarHBondContact ND2-O 3.25Å; N27-A89 PolarHBondContact O-N 3.15Å; N27-R90 PolarHBondContact ND2-O 2.91Å; N27-L92 HydrophobicContact CB-CD1 3.77Å; N27-L92 HydrophobicContact CB-CG 4.15Å
28	W	96.6	Very high	89.2	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.008	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.5	172.7	-70.4	92	0	0	0	109.9	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.38Å; I12-W28 HydrophobicContact CB-CZ3 4.19Å; I12-W28 HydrophobicContact CG2-CH2 3.99Å; I12-W28 HydrophobicContact CG2-CZ3 3.66Å; C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 2.96Å; W28-I40 PolarHBondContact O-N 3.4Å; W28-G41 PolarHBondContact N-O 3.45Å; W28-L62 HydrophobicContact CB-CD2 4.48Å; W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 3.95Å; W28-A71 HydrophobicContact CZ2-CB 4.26Å; W28-M73 HydrophobicContact CB-SD 3.88Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.44Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.81Å; W28-M73 HydrophobicContact CE3-CE 3.81Å; W28-M73 HydrophobicContact CE3-SD 4.01Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 4.02Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; W28-F87 CarbonylContact C-O 3.59Å; W28-F87 WeakPolarHBondContact CA-O 3.23Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å
29	V	96.1	Very high	90.4	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135	-172.2	-175.6	0	0	0	0	109.4	L37 E38 Y86 F87 L92 W97	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.29Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; V29-F87 HydrophobicContact CB-CB 4.5Å; V29-F87 PolarHBondContact N-O 3.07Å; V29-F87 PolarHBondContact O-N 3.1Å; V29-L92 HydrophobicContact CG2-CD1 4.23Å; V29-L92 HydrophobicContact CG2-CD2 4.48Å; V29-W97 HydrophobicContact CB-CH2 4.36Å; V29-W97 HydrophobicContact CB-CZ3 4Å; V29-W97 HydrophobicContact CG1-CH2 4.3Å; V29-W97 HydrophobicContact CG1-CZ3 4.22Å; V29-W97 HydrophobicContact CG2-CH2 3.97Å; V29-W97 HydrophobicContact CG2-CZ3 3.93Å
30	K	95.9	Very high	91.8	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.2	173.7	-177.5	176.7	-178.5	174.6	0	109.5	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.35Å; K30-E38 PolarHBondContact O-N 2.93Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; K30-F56 HydrophobicContact CB-CZ 4.49Å; K30-F56 HydrophobicContact CD-CE1 3.94Å; K30-F56 HydrophobicContact CD-CZ 4.11Å; K30-E81 PolarHBondContact NZ-O 3.41Å; K30-D82 IonicContact NZ-OD1 3.6Å; K30-D82 PolarHBondContact NZ-OD1 3.29Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.58Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.87Å; K30-Y86 WeakPolarHBondContact CE-OH 3.36Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å
31	Q	95.7	Very high	92.6	Very high	75 Å²	75	48 Å²	48	35%	0.35	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116	170.3	-168.2	-179.1	35	0	0	109.9	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 3.86Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; Q31-V85 PolarHBondContact N-O 2.8Å; Q31-V85 PolarHBondContact O-N 2.86Å; Q31-F87 HydrophobicContact CB-CD2 4.3Å; Q31-F87 HydrophobicContact CB-CE2 3.75Å
32	R	93.1	Very high	93.1	Very high	70 Å²	70	51.6 Å²	51.6	26%	0.264	29%	0.294	S	S	.	.			trans	-89.2	147.6	171.9	-67.8	172.8	171.2	143	-16.7	110.1	G34 K35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.81Å; R32-K35 HydrophobicContact CB-CB 3.93Å; R32-K35 HydrophobicContact CB-CG 3.94Å; R32-K35 PolarHBondContact O-N 2.8Å; R32-E38 IonicContact CZ-OE2 2.8Å; R32-E38 IonicContact NE-OE2 3.78Å; R32-E38 IonicContact NH1-OE1 3.35Å; R32-E38 IonicContact NH1-OE2 3.9Å; R32-E38 PolarHBondContact NH1-OE2 3.03Å; R32-E81 PolarHBondContact NE-O 2.93Å; R32-E81 PolarHBondContact NH2-O 3.42Å; R32-E81 VanDerWaalsContact NH2-O 3.13Å; R32-A84 HydrophobicContact CG-CB 4.2Å
33	P	88.3	Confident	93.5	Very high	117 Å²	117	49.1 Å²	49.1	76%	0.76	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128.9	173.3	-25.2	34.2	0	0	0	111.4	K35	P33-K35 PolarHBondContact O-N 2.93Å
34	G	89.3	Confident	93.8	Very high	90 Å²	90	48.9 Å²	48.9	93%	0.928	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	10.6	-179.7	0	0	0	0	0	115.5	R32	R32-G34 PolarHBondContact O-N 2.81Å
35	K	90.5	Very high	94	Very high	145 Å²	145	48.1 Å²	48.1	63%	0.63	26%	0.26	S	S	*	.	S	Bend	trans	-120.5	161.8	175.6	-58.8	-69.5	-177.5	179.2	0	110.9	R32 P33	R32-K35 HydrophobicContact CB-CB 3.93Å; R32-K35 HydrophobicContact CB-CG 3.94Å; R32-K35 PolarHBondContact O-N 2.8Å; P33-K35 PolarHBondContact O-N 2.93Å
36	G	90.4	Very high	94	Very high	55 Å²	55	46 Å²	46	57%	0.567	26%	0.26	S	S	*	.			trans	-68.7	174.8	173.3	0	0	0	0	0	113.2
37	L	93.3	Very high	94	Very high	97 Å²	97	50.8 Å²	50.8	51%	0.508	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.2	173.6	-64.2	174.6	0	0	0	110.5	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 3.86Å; L37-W97 HydrophobicContact CD1-CH2 3.84Å; L37-W97 HydrophobicContact CD1-CZ2 4.37Å
38	E	95.2	Very high	93.9	Very high	38 Å²	38	52.2 Å²	52.2	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.8	175.5	-60.3	-172.8	81.4	0	0	109.4	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.29Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.35Å; K30-E38 PolarHBondContact O-N 2.93Å; R32-E38 IonicContact CZ-OE2 2.8Å; R32-E38 IonicContact NE-OE2 3.78Å; R32-E38 IonicContact NH1-OE1 3.35Å; R32-E38 IonicContact NH1-OE2 3.9Å; R32-E38 PolarHBondContact NH1-OE2 3.03Å; E38-I40 PolarHBondContact O-N 2.86Å; E38-F56 HydrophobicContact CB-CE2 4.39Å; E38-F56 HydrophobicContact CB-CZ 4.26Å
39	W	95.6	Very high	93.8	Very high	68 Å²	68	56.3 Å²	56.3	26%	0.258	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.1	176.1	-177.5	80.1	0	0	0	110.6	N27 G41 R42 N51 N53	N27-W39 PolarHBondContact OD1-NE1 3.15Å; N27-W39 VanDerWaalsContact OD1-NE1 3.11Å; W39-G41 PolarHBondContact NE1-O 3.11Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.83Å; W39-N51 HydrophobicContact CH2-CB 4.42Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.38Å; W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.93Å; W39-N53 VanDerWaalsContact CZ3-N 3.35Å; W39-N53 WeakPolarHBondContact O-CB 2.99Å; W39-N53 PolarHBondContact O-ND2 3.19Å
40	I	96.9	Very high	93.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-48.5	-177	-60.3	174.4	0	0	0	110.1	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 2.96Å; W28-I40 PolarHBondContact O-N 3.4Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; E38-I40 PolarHBondContact O-N 2.86Å; I40-N53 WeakPolarHBondContact O-CB 3.41Å; I40-N53 PolarHBondContact O-N 3.04Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.13Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 4.11Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.14Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-M73 HydrophobicContact CD1-CE 4.03Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4.05Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å
41	G	96.7	Very high	93.9	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-179	-172.5	0	0	0	0	0	111.6	N27 W28 W39 N51	N27-G41 CarbonylContact C-O 3.51Å; N27-G41 WeakPolarHBondContact CA-O 3.3Å; W28-G41 PolarHBondContact N-O 3.45Å; W39-G41 PolarHBondContact NE1-O 3.11Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.43Å
42	R	95.9	Very high	93.9	Very high	88 Å²	88	60.6 Å²	60.6	33%	0.332	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.2	173.6	66.9	-177.1	-173	-169.1	0.2	111.5	W25 M26 N27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.17Å; W25-R42 HydrophobicContact CE3-CB 3.97Å; W25-R42 HydrophobicContact CE3-CG 3.41Å; W25-R42 VanDerWaalsContact CE3-CG 3.41Å; W25-R42 HydrophobicContact CZ3-CG 3.77Å; M26-R42 CarbonylContact O-C 3.53Å; M26-R42 WeakPolarHBondContact O-CA 3.32Å; M26-R42 WeakPolarHBondContact O-CB 3.37Å; N27-R42 HydrophobicContact CB-CB 4.44Å; N27-R42 WeakPolarHBondContact OD1-CB 3.45Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.83Å; R42-T50 WeakPolarHBondContact O-CA 3.13Å; R42-N51 HydrophobicContact CG-CB 4.11Å; R42-N51 PolarHBondContact N-O 3.06Å; R42-N51 PolarHBondContact O-N 3.31Å
43	I	96.1	Very high	94	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.3	173	-177.1	165.6	0	0	0	109.5	M26 P45 D49 T50 L62 A64	M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.66Å; M26-I43 PolarHBondContact O-N 2.96Å; I43-P45 WeakPolarHBondContact O-CD 2.98Å; I43-D49 CarbonylContact C-O 3.51Å; I43-D49 VanDerWaalsContact CA-O 3.29Å; I43-D49 WeakPolarHBondContact CA-O 3.1Å; I43-T50 HydrophobicContact CB-CG2 3.98Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.47Å; I43-L62 HydrophobicContact CD1-CB 4.43Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; I43-A64 HydrophobicContact CD1-CB 3.94Å
44	Y	94.4	Very high	94.3	Very high	62 Å²	62	56.9 Å²	56.9	24%	0.243	34%	0.342	C	S	.	.			trans	-96.9	105.6	167.9	-168.9	-104.1	0	0	0	107.9	S23 W25 G46 D47 G48 D49	S23-Y44 VanDerWaalsContact C-CE2 3.44Å; S23-Y44 WeakPolarHBondContact CA-OH 3.39Å; S23-Y44 WeakPolarHBondContact O-CE2 3.26Å; S23-Y44 PolarHBondContact O-OH 2.91Å; W25-Y44 AromaticContact CD1-CD2 3.99Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.37Å; W25-Y44 AromaticContact CE2-CD2 3.87Å; W25-Y44 HydrophobicContact CG-CD2 4.05Å; W25-Y44 HydrophobicContact CZ2-CD2 4.42Å; W25-Y44 HydrophobicContact CZ2-CG 4.35Å; W25-Y44 AromaticContact NE1-CD2 3.87Å; Y44-G46 PolarHBondContact O-N 2.88Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.48Å; Y44-D47 PolarHBondContact O-N 2.9Å; Y44-G48 VanDerWaalsContact O-CA 3.32Å; Y44-G48 WeakPolarHBondContact O-CA 3.08Å; Y44-G48 PolarHBondContact O-N 2.94Å; Y44-D49 PolarHBondContact N-O 3.02Å
45	P	93.2	Very high	94.4	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.026	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.7	-173.3	-25.7	38.1	0	0	0	113.7	F21 S24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.99Å; F21-P45 HydrophobicContact CD1-CG 4.34Å; F21-P45 HydrophobicContact CD2-CG 4.23Å; F21-P45 HydrophobicContact CE1-CB 3.55Å; F21-P45 HydrophobicContact CE1-CG 3.93Å; F21-P45 HydrophobicContact CE2-CB 4.37Å; F21-P45 HydrophobicContact CE2-CG 3.81Å; F21-P45 HydrophobicContact CG-CG 4.5Å; F21-P45 HydrophobicContact CZ-CB 3.76Å; F21-P45 HydrophobicContact CZ-CG 3.64Å; F21-P45 VanDerWaalsContact O-CG 3.3Å; F21-P45 WeakPolarHBondContact O-CG 3.39Å; S24-P45 WeakPolarHBondContact O-CD 3.39Å; I43-P45 WeakPolarHBondContact O-CD 2.98Å; P45-A64 HydrophobicContact CB-CB 3.74Å; P45-A64 HydrophobicContact CG-CB 4.07Å; P45-K66 WeakPolarHBondContact O-CE 3.25Å; P45-K66 WeakPolarHBondContact O-CG 3.02Å
46	G	91.6	Very high	94.6	Very high	24 Å²	24	53.8 Å²	53.8	25%	0.247	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-39.6	-177.6	0	0	0	0	0	114.7	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.48Å; S22-G46 PolarHBondContact O-N 3.25Å; S22-G46 VanDerWaalsContact O-N 3.08Å; Y44-G46 PolarHBondContact O-N 2.88Å; G46-K66 WeakPolarHBondContact O-CE 3.24Å; G46-K66 PolarHBondContact O-NZ 2.68Å
47	D	93.3	Very high	94.6	Very high	114 Å²	114	59.9 Å²	59.9	61%	0.61	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.1	-9.8	179.6	55.8	20.3	0	0	0	112.9	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.48Å; Y44-D47 PolarHBondContact O-N 2.9Å; D47-D49 VanDerWaalsContact OD1-CB 3.29Å; D47-D49 WeakPolarHBondContact OD1-CB 3.38Å; D47-D49 PolarHBondContact OD1-N 3.41Å
48	G	93.3	Very high	94.5	Very high	39 Å²	39	58.6 Å²	58.6	40%	0.402	32%	0.318	S	S	.	.			trans	84.8	10.1	-178.3	0	0	0	0	0	113.7	Y44	Y44-G48 VanDerWaalsContact O-CA 3.32Å; Y44-G48 WeakPolarHBondContact O-CA 3.08Å; Y44-G48 PolarHBondContact O-N 2.94Å
49	D	95.9	Very high	94.5	Very high	89 Å²	89	58.7 Å²	58.7	48%	0.476	32%	0.318	S	S	.	.			trans	-61	140.4	177.1	-171.8	23.3	0	0	0	110.7	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.92Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.2Å; W25-D49 WeakPolarHBondContact CZ3-O 3.33Å; I43-D49 CarbonylContact C-O 3.51Å; I43-D49 VanDerWaalsContact CA-O 3.29Å; I43-D49 WeakPolarHBondContact CA-O 3.1Å; Y44-D49 PolarHBondContact N-O 3.02Å; D47-D49 VanDerWaalsContact OD1-CB 3.29Å; D47-D49 WeakPolarHBondContact OD1-CB 3.38Å; D47-D49 PolarHBondContact OD1-N 3.41Å
50	T	96.9	Very high	94.5	Very high	49 Å²	49	55.6 Å²	55.6	30%	0.301	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.2	-175.9	55.4	0	0	0	0	111.8	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.13Å; I43-T50 HydrophobicContact CB-CG2 3.98Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.44Å; T50-L62 HydrophobicContact CG2-CB 4.16Å
51	N	96	Very high	94.5	Very high	75 Å²	75	58.8 Å²	58.8	40%	0.401	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137	171.7	-171.3	-120.5	0	0	0	109.8	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.42Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.38Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.43Å; R42-N51 HydrophobicContact CG-CB 4.11Å; R42-N51 PolarHBondContact N-O 3.06Å; R42-N51 PolarHBondContact O-N 3.31Å
52	Y	96.8	Very high	94.6	Very high	44 Å²	44	59.2 Å²	59.2	17%	0.173	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.3	-174	-67.5	-91.1	0	0	0	110.8	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.44Å; Y52-A60 HydrophobicContact CE1-CB 4.44Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.36Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.33Å
53	N	95.4	Very high	94.6	Very high	50 Å²	50	57.8 Å²	57.8	27%	0.267	33%	0.33	S	S	.	.			trans	-69.1	133.6	158.1	-176.6	-23.3	0	0	0	108.9	W39 I40 K55 F56 R57	W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.93Å; W39-N53 VanDerWaalsContact CZ3-N 3.35Å; W39-N53 WeakPolarHBondContact O-CB 2.99Å; W39-N53 PolarHBondContact O-ND2 3.19Å; I40-N53 WeakPolarHBondContact O-CB 3.41Å; I40-N53 PolarHBondContact O-N 3.04Å; N53-K55 PolarHBondContact O-N 2.8Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.97Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.3Å; N53-R57 PolarHBondContact O-N 2.93Å
54	G	93.6	Very high	94.6	Very high	59 Å²	59	59.3 Å²	59.3	61%	0.608	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-52.2	-33.9	-178.7	0	0	0	0	0	113.7	F56 R57	G54-F56 PolarHBondContact O-N 3.32Å; G54-R57 PolarHBondContact O-N 2.71Å
55	K	91.6	Very high	94.6	Very high	158 Å²	158	59 Å²	59	69%	0.687	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-61.6	-27.8	177.8	-68.3	-177.1	177.7	-179.1	0	114.4	N53	N53-K55 PolarHBondContact O-N 2.8Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.97Å
56	F	93.8	Very high	94.4	Very high	13 Å²	13	64.7 Å²	64.7	6%	0.057	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-109.5	-0.4	-175	-62.2	-85.5	0	0	0	112.7	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.49Å; K30-F56 HydrophobicContact CD-CE1 3.94Å; K30-F56 HydrophobicContact CD-CZ 4.11Å; E38-F56 HydrophobicContact CB-CE2 4.39Å; E38-F56 HydrophobicContact CB-CZ 4.26Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.13Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 4.11Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.14Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.3Å; G54-F56 PolarHBondContact O-N 3.32Å; F56-G58 PolarHBondContact O-N 3.2Å; F56-K59 PolarHBondContact O-N 2.85Å; F56-A60 HydrophobicContact CB-CB 4.49Å; F56-A60 PolarHBondContact O-N 2.88Å
57	R	91.6	Very high	94.3	Very high	183 Å²	183	68.9 Å²	68.9	69%	0.691	40%	0.396	S	S	*	.	B	Isolated β-bridge	trans	-61.9	126.1	175.3	-173.8	176.9	-75.3	-132.6	-0.2	109	N53 G54 K59	N53-R57 PolarHBondContact O-N 2.93Å; G54-R57 PolarHBondContact O-N 2.71Å; R57-K59 PolarHBondContact O-N 3.2Å
58	G	90.9	Very high	94.2	Very high	69 Å²	69	65.4 Å²	65.4	71%	0.711	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-19.7	-175.8	0	0	0	0	0	114.7	F56	F56-G58 PolarHBondContact O-N 3.2Å
59	K	94.2	Very high	94.1	Very high	41 Å²	41	64.2 Å²	64.2	18%	0.178	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-40.2	174.2	-174.3	67.5	176.1	-167.6	0	112.4	F56 R57 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.85Å; R57-K59 PolarHBondContact O-N 3.2Å; K59-L75 WeakPolarHBondContact O-CA 3.45Å; K59-S76 VanDerWaalsContact CD-O 3.26Å; K59-S76 WeakPolarHBondContact CD-O 3.19Å; K59-S76 WeakPolarHBondContact CE-O 3Å; K59-S76 PolarHBondContact NZ-O 2.86Å; K59-S76 PolarHBondContact O-N 3.06Å; K59-S76 PolarHBondContact O-OG 2.86Å; K59-S77 VanDerWaalsContact NZ-C 3.35Å; K59-S77 PolarHBondContact NZ-O 2.81Å; K59-D82 WeakPolarHBondContact CE-OD2 3.29Å; K59-D82 IonicContact NZ-OD2 2.68Å; K59-D82 PolarHBondContact NZ-OD2 3.08Å
60	A	96.8	Very high	94.1	Very high	3 Å²	3	60.4 Å²	60.4	3%	0.025	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.4	-179	0	0	0	0	0	110.9	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CE1-CB 4.44Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.36Å; F56-A60 HydrophobicContact CB-CB 4.49Å; F56-A60 PolarHBondContact O-N 2.88Å; A60-M73 HydrophobicContact CB-CG 4.32Å; A60-M73 HydrophobicContact CB-SD 4.44Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.22Å; A60-L75 HydrophobicContact CB-CD2 3.9Å
61	T	97.6	Very high	94	Very high	67 Å²	67	58.1 Å²	58.1	41%	0.411	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120	169.3	-58.8	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.38Å; T61-M73 WeakPolarHBondContact O-CA 3.41Å; T61-Q74 PolarHBondContact N-O 2.92Å; T61-Q74 PolarHBondContact O-N 2.8Å
62	L	97.6	Very high	94	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.8	179	-53	-175.3	0	0	0	110.3	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CB-CD2 4.48Å; W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 3.95Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.47Å; I43-L62 HydrophobicContact CD1-CB 4.43Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; T50-L62 HydrophobicContact CG2-CB 4.16Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.33Å; L62-Y72 WeakPolarHBondContact CA-O 3.33Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.26Å
63	T	96.9	Very high	94.1	Very high	59 Å²	59	54.8 Å²	54.8	36%	0.362	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	162.8	175.2	54.8	0	0	0	0	110.2	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.38Å; T63-Y72 PolarHBondContact N-O 3.48Å; T63-Y72 PolarHBondContact O-N 2.92Å
64	A	95.4	Very high	94.1	Very high	35 Å²	35	56.6 Å²	56.6	29%	0.289	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	142.2	176.9	0	0	0	0	0	110.7	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.35Å; F21-A64 HydrophobicContact CZ-CB 3.99Å; I43-A64 HydrophobicContact CD1-CB 3.94Å; P45-A64 HydrophobicContact CB-CB 3.74Å; P45-A64 HydrophobicContact CG-CB 4.07Å
65	D	93.6	Very high	94.3	Very high	56 Å²	56	53.9 Å²	53.9	30%	0.299	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.2	170.7	173.9	9.8	0	0	0	108.9	F21 S67 S68 G69 T70 Y72	F21-D65 WeakPolarHBondContact CE1-O 3.41Å; D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.81Å; D65-S67 WeakPolarHBondContact OD1-CB 3.42Å; D65-S67 PolarHBondContact OD1-N 2.87Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 2.77Å; D65-S68 WeakPolarHBondContact CB-OG 3.17Å; D65-S68 PolarHBondContact OD1-N 2.86Å; D65-S68 VanDerWaalsContact OD2-CB 3.27Å; D65-S68 WeakPolarHBondContact OD2-CB 3.29Å; D65-S68 PolarHBondContact OD2-OG 3.24Å; D65-G69 PolarHBondContact O-N 2.96Å; D65-T70 PolarHBondContact N-O 2.98Å; D65-T70 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å
66	K	90.4	Very high	94.4	Very high	123 Å²	123	47.9 Å²	47.9	54%	0.535	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-35.5	179.9	-65.4	173.5	-178.5	172.8	0	112.1	P45 G46 G69	P45-K66 WeakPolarHBondContact O-CE 3.25Å; P45-K66 WeakPolarHBondContact O-CG 3.02Å; G46-K66 WeakPolarHBondContact O-CE 3.24Å; G46-K66 PolarHBondContact O-NZ 2.68Å; K66-G69 PolarHBondContact O-N 2.92Å
67	S	89.3	Confident	94.5	Very high	112 Å²	112	51 Å²	51	78%	0.783	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-40.5	-174.2	71.2	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.81Å; D65-S67 WeakPolarHBondContact OD1-CB 3.42Å; D65-S67 PolarHBondContact OD1-N 2.87Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 2.77Å
68	S	91.6	Very high	94.6	Very high	41 Å²	41	42.3 Å²	42.3	29%	0.287	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.5	177.2	65.5	0	0	0	0	113.9	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.17Å; D65-S68 PolarHBondContact OD1-N 2.86Å; D65-S68 VanDerWaalsContact OD2-CB 3.27Å; D65-S68 WeakPolarHBondContact OD2-CB 3.29Å; D65-S68 PolarHBondContact OD2-OG 3.24Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 2.93Å; S68-T70 PolarHBondContact OG-OG1 3.16Å
69	G	91.4	Very high	94.8	Very high	14 Å²	14	42 Å²	42	14%	0.144	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	32.6	-176.7	0	0	0	0	0	113	A16 D65 K66	A16-G69 PolarHBondContact N-O 2.8Å; D65-G69 PolarHBondContact O-N 2.96Å; K66-G69 PolarHBondContact O-N 2.92Å
70	T	94.4	Very high	94.7	Very high	10 Å²	10	43.4 Å²	43.4	6%	0.061	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.7	-170.4	-54.3	0	0	0	0	111.3	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.46Å; K15-T70 HydrophobicContact CB-CG2 4.47Å; D65-T70 PolarHBondContact N-O 2.98Å; D65-T70 PolarHBondContact O-N 2.85Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-OG1 2.93Å; S68-T70 PolarHBondContact OG-OG1 3.16Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.9Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å; T70-Y72 WeakPolarHBondContact O-CE2 3.23Å
71	A	95.3	Very high	94.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	150.7	168.7	0	0	0	0	0	110	S13 C14 F21 M26 W28	S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; C14-A71 PolarHBondContact N-O 2.86Å; C14-A71 PolarHBondContact O-N 2.76Å; F21-A71 HydrophobicContact CE2-CB 3.94Å; F21-A71 HydrophobicContact CZ-CB 4.07Å; M26-A71 HydrophobicContact CB-CB 4.24Å; M26-A71 HydrophobicContact CG-CB 3.74Å; W28-A71 HydrophobicContact CZ2-CB 4.26Å
72	Y	96.8	Very high	94.2	Very high	49 Å²	49	47 Å²	47	19%	0.192	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.4	179.1	-54	-86.1	0	0	0	111	K11 I12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.27Å; K11-Y72 VanDerWaalsContact CE-CB 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å; I12-Y72 CarbonylContact O-C 3.55Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.41Å; L62-Y72 WeakPolarHBondContact CA-O 3.33Å; T63-Y72 PolarHBondContact N-O 3.48Å; T63-Y72 PolarHBondContact O-N 2.92Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.9Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å; T70-Y72 WeakPolarHBondContact O-CE2 3.23Å
73	M	97.5	Very high	94.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.5	166.8	175.9	179.9	70.9	0	0	108.4	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.76Å; I12-M73 PolarHBondContact N-O 2.02Å; I12-M73 PolarHBondContact O-N 2.8Å; W28-M73 HydrophobicContact CB-SD 3.88Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.44Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.81Å; W28-M73 HydrophobicContact CE3-CE 3.81Å; W28-M73 HydrophobicContact CE3-SD 4.01Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 4.02Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; I40-M73 HydrophobicContact CD1-CE 4.03Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4.05Å; A60-M73 HydrophobicContact CB-CG 4.32Å; A60-M73 HydrophobicContact CB-SD 4.44Å; T61-M73 WeakPolarHBondContact O-CA 3.41Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.26Å; M73-L75 HydrophobicContact CE-CD1 3.94Å; M73-L75 HydrophobicContact CE-CD2 4.25Å; M73-L75 HydrophobicContact CE-CG 4.03Å; M73-L75 HydrophobicContact CG-CD2 4.36Å; M73-L75 HydrophobicContact CG-CG 4.38Å; M73-L75 HydrophobicContact SD-CD2 4.14Å; M73-L75 HydrophobicContact SD-CG 4.45Å; M73-Y86 HydrophobicContact CE-CD1 3.54Å; M73-Y86 HydrophobicContact CE-CE1 4.17Å; M73-Y86 HydrophobicContact CE-CG 4.03Å
74	Q	97.2	Very high	94	Very high	89 Å²	89	45.9 Å²	45.9	42%	0.416	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.2	170.3	-175.2	174.4	2.1	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.14Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.22Å; T61-Q74 PolarHBondContact N-O 2.92Å; T61-Q74 PolarHBondContact O-N 2.8Å
75	L	96.2	Very high	94.1	Very high	1 Å²	1	46 Å²	46	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.9	171.1	-64	168.7	0	0	0	108.5	S9 V10 I12 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.27Å; S9-L75 WeakPolarHBondContact CB-O 3.46Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 3.29Å; V10-L75 PolarHBondContact O-N 2.89Å; I12-L75 HydrophobicContact CD1-CD1 4.23Å; K59-L75 WeakPolarHBondContact O-CA 3.45Å; A60-L75 HydrophobicContact CB-CD2 3.9Å; M73-L75 HydrophobicContact CE-CD1 3.94Å; M73-L75 HydrophobicContact CE-CD2 4.25Å; M73-L75 HydrophobicContact CE-CG 4.03Å; M73-L75 HydrophobicContact CG-CD2 4.36Å; M73-L75 HydrophobicContact CG-CG 4.38Å; M73-L75 HydrophobicContact SD-CD2 4.14Å; M73-L75 HydrophobicContact SD-CG 4.45Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.23Å; L75-Y86 HydrophobicContact CD1-CE1 3.63Å; L75-Y86 HydrophobicContact CD1-CE2 4.08Å; L75-L103 HydrophobicContact CD1-CD2 4.13Å
76	S	95	Very high	94.3	Very high	33 Å²	33	43.5 Å²	43.5	23%	0.231	25%	0.254	C	S	.	.			trans	-106.8	158.3	-178.9	56.6	0	0	0	0	112.5	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 2.98Å; K59-S76 VanDerWaalsContact CD-O 3.26Å; K59-S76 WeakPolarHBondContact CD-O 3.19Å; K59-S76 WeakPolarHBondContact CE-O 3Å; K59-S76 PolarHBondContact NZ-O 2.86Å; K59-S76 PolarHBondContact O-N 3.06Å; K59-S76 PolarHBondContact O-OG 2.86Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.83Å
77	S	94.4	Very high	94.5	Very high	78 Å²	78	39.1 Å²	39.1	55%	0.545	24%	0.235	S	C	.	.	S	Bend	trans	49.3	49	171.6	-56.5	0	0	0	0	112.9	A8 K59	A8-S77 PolarHBondContact O-N 2.91Å; K59-S77 VanDerWaalsContact NZ-C 3.35Å; K59-S77 PolarHBondContact NZ-O 2.81Å
78	L	94.6	Very high	94.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.201	C	C	.	.			trans	-58.6	142.2	-170.7	-70.8	171.9	0	0	0	112.8	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CB-CD1 4.44Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; G7-L78 PolarHBondContact N-O 2.82Å; A8-L78 WeakPolarHBondContact O-CB 3.49Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.03Å; A8-L78 PolarHBondContact O-N 2.84Å; V10-L78 HydrophobicContact CB-CD1 4.07Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD2 4.5Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.83Å; L78-D82 WeakPolarHBondContact CA-OD2 3.29Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; L78-L103 HydrophobicContact CD1-CD2 4.18Å; L78-L103 HydrophobicContact CD2-CD2 4.03Å; L78-V105 HydrophobicContact CB-CG1 4.26Å; L78-V105 HydrophobicContact CB-CG2 4.02Å; L78-V105 HydrophobicContact CD1-CG2 4.41Å
79	T	94.1	Very high	94.8	Very high	61 Å²	61	32.5 Å²	32.5	37%	0.374	19%	0.188	S	C	.	.			trans	-122.7	168.8	173.4	67.9	0	0	0	0	110.2	E81 D82 V105	T79-E81 PolarHBondContact O-N 3.19Å; T79-E81 VanDerWaalsContact O-N 3.1Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.36Å; T79-D82 PolarHBondContact O-N 3.35Å; T79-V105 WeakPolarHBondContact O-CB 3.23Å; T79-V105 VanDerWaalsContact O-CG2 3.3Å; T79-V105 WeakPolarHBondContact O-CG2 3.44Å
80	S	92.1	Very high	94.5	Very high	72 Å²	72	34.7 Å²	34.7	50%	0.503	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-53.6	-31.3	175.7	54.5	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 2.96Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.13Å; S80-S83 PolarHBondContact O-N 3.27Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 3.27Å
81	E	90.9	Very high	93.7	Very high	133 Å²	133	39 Å²	39	62%	0.621	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-68.3	-13.9	176.7	-59	-172	175.6	0	0	114.7	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 3.41Å; R32-E81 PolarHBondContact NE-O 2.93Å; R32-E81 PolarHBondContact NH2-O 3.42Å; R32-E81 VanDerWaalsContact NH2-O 3.13Å; T79-E81 PolarHBondContact O-N 3.19Å; T79-E81 VanDerWaalsContact O-N 3.1Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82	D	93.7	Very high	92.7	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.059	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-83.9	-6.5	173.9	-63.3	-47.2	0	0	0	113.3	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.6Å; K30-D82 PolarHBondContact NZ-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD2 3.29Å; K59-D82 IonicContact NZ-OD2 2.68Å; K59-D82 PolarHBondContact NZ-OD2 3.08Å; L78-D82 WeakPolarHBondContact CA-OD2 3.29Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.36Å; T79-D82 PolarHBondContact O-N 3.35Å; S80-D82 PolarHBondContact O-N 2.96Å; D82-A84 PolarHBondContact O-N 3.48Å; D82-A84 VanDerWaalsContact O-N 3.15Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.77Å; D82-V105 HydrophobicContact CB-CG2 4.19Å
83	S	95.1	Very high	90.9	Very high	37 Å²	37	45 Å²	45	26%	0.259	25%	0.253	S	S	.	.			trans	-64.3	114.1	172.2	-56.8	0	0	0	0	110.4	S80 E81 L103 V105	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.13Å; S80-S83 PolarHBondContact O-N 3.27Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 3.27Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-L103 CarbonylContact C-O 3.57Å; S83-L103 VanDerWaalsContact CA-O 3.29Å; S83-L103 WeakPolarHBondContact CA-O 3.5Å; S83-V105 PolarHBondContact OG-N 2.78Å
84	A	96.1	Very high	89.3	Confident	7 Å²	7	56.6 Å²	56.6	6%	0.058	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	172.7	-172.2	0	0	0	0	0	110.9	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.58Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; R32-A84 HydrophobicContact CG-CB 4.2Å; D82-A84 PolarHBondContact O-N 3.48Å; D82-A84 VanDerWaalsContact O-N 3.15Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-L103 PolarHBondContact N-O 2.67Å; A84-L103 PolarHBondContact O-N 3.06Å
85	V	96.8	Very high	88.3	Confident	39 Å²	39	53.2 Å²	53.2	24%	0.236	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.9	161.9	-169.5	0	0	0	0	108.5	Q31 F87 T101	Q31-V85 PolarHBondContact N-O 2.8Å; Q31-V85 PolarHBondContact O-N 2.86Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.95Å; V85-F87 HydrophobicContact CG1-CD2 4.23Å; V85-F87 HydrophobicContact CG1-CE1 3.9Å; V85-F87 HydrophobicContact CG1-CE2 3.51Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; V85-T101 WeakPolarHBondContact CA-O 3.47Å
86	Y	96.9	Very high	87.8	Confident	3 Å²	3	61.1 Å²	61.1	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.2	179.3	-68.5	-87.7	0	0	0	110	I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	I12-Y86 HydrophobicContact CD1-CD2 3.9Å; I12-Y86 HydrophobicContact CD1-CG 3.82Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.87Å; K30-Y86 WeakPolarHBondContact CE-OH 3.36Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å; M73-Y86 HydrophobicContact CE-CD1 3.54Å; M73-Y86 HydrophobicContact CE-CE1 4.17Å; M73-Y86 HydrophobicContact CE-CG 4.03Å; L75-Y86 HydrophobicContact CD1-CD1 4.23Å; L75-Y86 HydrophobicContact CD1-CE1 3.63Å; L75-Y86 HydrophobicContact CD1-CE2 4.08Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.77Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; Y86-G100 CarbonylContact O-C 3.56Å; Y86-G100 VanDerWaalsContact O-CA 3.25Å; Y86-G100 WeakPolarHBondContact O-CA 3.15Å; Y86-T101 PolarHBondContact N-O 3.39Å; Y86-T101 PolarHBondContact O-N 2.83Å; Y86-L103 HydrophobicContact CD2-CB 3.94Å; Y86-L103 HydrophobicContact CD2-CD2 4.36Å; Y86-L103 HydrophobicContact CE2-CB 3.79Å; Y86-L103 HydrophobicContact CE2-CD2 3.69Å; Y86-L103 HydrophobicContact CE2-CG 4.37Å
87	F	95.5	Very high	87.6	Confident	31 Å²	31	64 Å²	64	14%	0.136	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.3	-178.7	-59.9	-87.7	0	0	0	110.6	W28 V29 Q31 V85 W97	W28-F87 CarbonylContact C-O 3.59Å; W28-F87 WeakPolarHBondContact CA-O 3.23Å; V29-F87 HydrophobicContact CB-CB 4.5Å; V29-F87 PolarHBondContact N-O 3.07Å; V29-F87 PolarHBondContact O-N 3.1Å; Q31-F87 HydrophobicContact CB-CD2 4.3Å; Q31-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.95Å; V85-F87 HydrophobicContact CG1-CD2 4.23Å; V85-F87 HydrophobicContact CG1-CE1 3.9Å; V85-F87 HydrophobicContact CG1-CE2 3.51Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; F87-W97 HydrophobicContact CB-CE3 3.77Å; F87-W97 HydrophobicContact CB-CZ3 3.88Å; F87-W97 HydrophobicContact CG-CE3 4.24Å; F87-W97 HydrophobicContact CG-CZ3 4.39Å
88	C	94.2	Very high	87.4	Confident	12 Å²	12	61.6 Å²	61.6	8%	0.081	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	148.6	160.2	60.3	0	0	0	0	110	C14 M26 N27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 2.95Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.86Å; M26-C88 HydrophobicContact CG-CB 4.44Å; M26-C88 HydrophobicContact SD-CB 3.84Å; N27-C88 CarbonylContact O-C 3.55Å; N27-C88 WeakPolarHBondContact O-CA 3.42Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å; C88-G98 PolarHBondContact O-N 3.06Å
89	A	92.4	Very high	87.3	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.008	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	137.9	177.1	0	0	0	0	0	112.2	N27 L92 Y96 W97	N27-A89 WeakPolarHBondContact CA-O 3.3Å; N27-A89 HydrophobicContact CB-CB 4.5Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 3.49Å; N27-A89 PolarHBondContact N-O 3.32Å; N27-A89 PolarHBondContact ND2-O 3.25Å; N27-A89 PolarHBondContact O-N 3.15Å; A89-L92 HydrophobicContact CB-CD2 3.69Å; A89-L92 HydrophobicContact CB-CG 4.38Å; A89-Y96 CarbonylContact C-O 3.35Å; A89-Y96 VanDerWaalsContact CA-O 3.22Å; A89-Y96 WeakPolarHBondContact CA-O 3.49Å; A89-W97 HydrophobicContact CB-CD2 3.77Å; A89-W97 HydrophobicContact CB-CE3 3.85Å; A89-W97 HydrophobicContact CB-CG 4.24Å; A89-W97 HydrophobicContact CB-CH2 4.43Å; A89-W97 HydrophobicContact CB-CZ2 4.39Å; A89-W97 HydrophobicContact CB-CZ3 4.18Å
90	R	86.3	Confident	87.2	Confident	61 Å²	61	69.6 Å²	69.6	23%	0.23	35%	0.35	C	S	.	.	S	Bend	trans	-76.5	-49	-179.6	-163.7	-179.2	85.2	-175.4	7	112.6	W25 N27 Y96	W25-R90 CarbonylContact O-C 3.52Å; W25-R90 WeakPolarHBondContact O-CA 3.43Å; N27-R90 PolarHBondContact ND2-O 2.91Å; R90-Y96 PolarHBondContact N-O 3.06Å
91	E	77.1	Confident	87.4	Confident	99 Å²	99	68.6 Å²	68.6	46%	0.463	34%	0.341	S	S	.	.	S	Bend	trans	-129.8	128.7	-178.8	-70.4	158.4	-138.2	0	0	108.3	G95	E91-G95 WeakPolarHBondContact O-CA 3.47Å; E91-G95 PolarHBondContact O-N 3.42Å
92	L	73.1	Confident	87.6	Confident	69 Å²	69	65 Å²	65	36%	0.361	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	142.8	176.9	-68.7	177.3	0	0	0	109.8	N27 V29 A89 W97	N27-L92 HydrophobicContact CB-CD1 3.77Å; N27-L92 HydrophobicContact CB-CG 4.15Å; V29-L92 HydrophobicContact CG2-CD1 4.23Å; V29-L92 HydrophobicContact CG2-CD2 4.48Å; A89-L92 HydrophobicContact CB-CD2 3.69Å; A89-L92 HydrophobicContact CB-CG 4.38Å; L92-W97 HydrophobicContact CD2-CH2 3.4Å; L92-W97 VanDerWaalsContact CD2-CH2 3.4Å; L92-W97 HydrophobicContact CD2-CZ2 3.14Å; L92-W97 HydrophobicContact CD2-CZ3 4.33Å
93	P	59	Low	87.6	Confident	108 Å²	108	64.6 Å²	64.6	70%	0.701	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.2	-15.7	1	33.7	-31.8	0	0	0	115	W97	P93-W97 PolarHBondContact O-NE1 3.39Å
94	R	65.7	Low	87.6	Confident	243 Å²	243	65.7 Å²	65.7	92%	0.917	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	10.1	-171.4	-70.6	-174.1	177.6	150.5	-0.9	115.1
95	G	75.3	Confident	87.4	Confident	18 Å²	18	65.7 Å²	65.7	19%	0.186	33%	0.33	C	S	.	.	S	Bend	trans	-81	-166.8	-179.7	0	0	0	0	0	113.8	E91	E91-G95 WeakPolarHBondContact O-CA 3.47Å; E91-G95 PolarHBondContact O-N 3.42Å
96	Y	85.6	Confident	87	Confident	167 Å²	167	65.9 Å²	65.9	66%	0.655	33%	0.334	S	S	*	.			trans	-74.7	126	-179.9	-58.9	-80.5	0	0	0	111.4	A89 R90	A89-Y96 CarbonylContact C-O 3.35Å; A89-Y96 VanDerWaalsContact CA-O 3.22Å; A89-Y96 WeakPolarHBondContact CA-O 3.49Å; R90-Y96 PolarHBondContact N-O 3.06Å
97	W	90.3	Very high	85.9	Confident	94 Å²	94	73.6 Å²	73.6	36%	0.356	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-107.5	142.6	176.2	-69	81	0	0	0	110.7	V29 L37 F87 A89 L92 P93	V29-W97 HydrophobicContact CB-CH2 4.36Å; V29-W97 HydrophobicContact CB-CZ3 4Å; V29-W97 HydrophobicContact CG1-CH2 4.3Å; V29-W97 HydrophobicContact CG1-CZ3 4.22Å; V29-W97 HydrophobicContact CG2-CH2 3.97Å; V29-W97 HydrophobicContact CG2-CZ3 3.93Å; L37-W97 HydrophobicContact CD1-CH2 3.84Å; L37-W97 HydrophobicContact CD1-CZ2 4.37Å; F87-W97 HydrophobicContact CB-CE3 3.77Å; F87-W97 HydrophobicContact CB-CZ3 3.88Å; F87-W97 HydrophobicContact CG-CE3 4.24Å; F87-W97 HydrophobicContact CG-CZ3 4.39Å; A89-W97 HydrophobicContact CB-CD2 3.77Å; A89-W97 HydrophobicContact CB-CE3 3.85Å; A89-W97 HydrophobicContact CB-CG 4.24Å; A89-W97 HydrophobicContact CB-CH2 4.43Å; A89-W97 HydrophobicContact CB-CZ2 4.39Å; A89-W97 HydrophobicContact CB-CZ3 4.18Å; L92-W97 HydrophobicContact CD2-CH2 3.4Å; L92-W97 VanDerWaalsContact CD2-CH2 3.4Å; L92-W97 HydrophobicContact CD2-CZ2 3.14Å; L92-W97 HydrophobicContact CD2-CZ3 4.33Å; P93-W97 PolarHBondContact O-NE1 3.39Å
98	G	90.7	Very high	85.5	Confident	27 Å²	27	75.7 Å²	75.7	28%	0.278	40%	0.4	S	S	.	.			trans	-70.9	163.9	165.9	0	0	0	0	0	111.6	C88 G100	C88-G98 PolarHBondContact O-N 3.06Å; G98-G100 PolarHBondContact O-N 3.16Å; G98-G100 VanDerWaalsContact O-N 3.16Å
99	Q	91.6	Very high	85	Confident	202 Å²	202	79.1 Å²	79.1	94%	0.944	42%	0.417	S	S	*	.			trans	-63.1	-20.4	178.5	-67.4	179.7	-13.4	0	0	113.4
100	G	93.1	Very high	84.6	Confident	27 Å²	27	83.4 Å²	83.4	28%	0.278	44%	0.44	S	S	.	.			trans	88	147.4	-178.3	0	0	0	0	0	112.8	Y86 G98	Y86-G100 CarbonylContact O-C 3.56Å; Y86-G100 VanDerWaalsContact O-CA 3.25Å; Y86-G100 WeakPolarHBondContact O-CA 3.15Å; G98-G100 PolarHBondContact O-N 3.16Å; G98-G100 VanDerWaalsContact O-N 3.16Å
101	T	95.4	Very high	84.5	Confident	51 Å²	51	84.7 Å²	84.7	31%	0.313	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.5	177.5	-59	0	0	0	0	108.9	I12 V85 Y86 L103	I12-T101 HydrophobicContact CG2-CG2 4.37Å; V85-T101 WeakPolarHBondContact CA-O 3.47Å; Y86-T101 PolarHBondContact N-O 3.39Å; Y86-T101 PolarHBondContact O-N 2.83Å; T101-L103 PolarHBondContact O-N 2.59Å
102	T	95.9	Very high	84.9	Confident	59 Å²	59	83.8 Å²	83.8	36%	0.362	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	120.2	173.2	-48.6	0	0	0	0	110.1	P1 E2	P1-T102 CarbonylContact C-O 3.6Å; P1-T102 VanDerWaalsContact CA-O 3.24Å; P1-T102 WeakPolarHBondContact CA-O 2.75Å; P1-T102 HydrophobicContact CB-CG2 4.36Å; E2-T102 PolarHBondContact N-O 3.36Å
103	L	94.6	Very high	85.7	Confident	1 Å²	1	84.8 Å²	84.8	1%	0.005	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.8	173.2	-178.9	69.1	0	0	0	108.9	E2 V4 V10 L75 L78 S83 A84 Y86 T101	E2-L103 HydrophobicContact CB-CD1 4.08Å; V4-L103 HydrophobicContact CG1-CD1 4.06Å; V4-L103 HydrophobicContact CG2-CD1 3.83Å; V4-L103 HydrophobicContact CG2-CG 4.48Å; V10-L103 HydrophobicContact CB-CD1 4.42Å; V10-L103 HydrophobicContact CG1-CD1 4.1Å; V10-L103 HydrophobicContact CG1-CD2 3.84Å; V10-L103 HydrophobicContact CG2-CD1 4.27Å; L75-L103 HydrophobicContact CD1-CD2 4.13Å; L78-L103 HydrophobicContact CD1-CD2 4.18Å; L78-L103 HydrophobicContact CD2-CD2 4.03Å; S83-L103 CarbonylContact C-O 3.57Å; S83-L103 VanDerWaalsContact CA-O 3.29Å; S83-L103 WeakPolarHBondContact CA-O 3.5Å; A84-L103 PolarHBondContact N-O 2.67Å; A84-L103 PolarHBondContact O-N 3.06Å; Y86-L103 HydrophobicContact CD2-CB 3.94Å; Y86-L103 HydrophobicContact CD2-CD2 4.36Å; Y86-L103 HydrophobicContact CE2-CB 3.79Å; Y86-L103 HydrophobicContact CE2-CD2 3.69Å; Y86-L103 HydrophobicContact CE2-CG 4.37Å; T101-L103 PolarHBondContact O-N 2.59Å
104	T	94.6	Very high	87.6	Confident	60 Å²	60	83.1 Å²	83.1	37%	0.368	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.1	175.3	-57.1	0	0	0	0	108.7	E2 L3 V4	E2-T104 PolarHBondContact O-N 2.64Å; L3-T104 WeakPolarHBondContact CA-O 3.32Å; L3-T104 HydrophobicContact CD1-CG2 3.94Å; V4-T104 PolarHBondContact N-O 2.92Å
105	V	92.4	Very high	89.3	Confident	7 Å²	7	70.8 Å²	70.8	4%	0.042	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118	175.1	-170.3	0	0	0	0	107.8	V4 P6 L78 T79 D82 S83	V4-V105 HydrophobicContact CG2-CB 4.23Å; V4-V105 HydrophobicContact CG2-CG1 4.31Å; V4-V105 HydrophobicContact CG2-CG2 3.75Å; V4-V105 CarbonylContact O-C 3.47Å; V4-V105 WeakPolarHBondContact O-CA 3.44Å; P6-V105 HydrophobicContact CG-CG1 4.29Å; L78-V105 HydrophobicContact CB-CG1 4.26Å; L78-V105 HydrophobicContact CB-CG2 4.02Å; L78-V105 HydrophobicContact CD1-CG2 4.41Å; T79-V105 WeakPolarHBondContact O-CB 3.23Å; T79-V105 VanDerWaalsContact O-CG2 3.3Å; T79-V105 WeakPolarHBondContact O-CG2 3.44Å; D82-V105 HydrophobicContact CB-CG2 4.19Å; S83-V105 PolarHBondContact OG-N 2.78Å
106	S	87.9	Confident	90.5	Very high	44 Å²	44	75.3 Å²	75.3	31%	0.308	42%	0.421	S	S	.	.			trans	-62.8	142.3	177.7	62.6	0	0	0	0	110	V4 P6	V4-S106 PolarHBondContact O-N 3.44Å; V4-S106 PolarHBondContact O-OG 3.49Å; P6-S106 WeakPolarHBondContact CD-O 3.42Å; P6-S106 WeakPolarHBondContact CG-O 3.27Å
107	S	73.9	Confident	90.9	Very high	164 Å²	164	66.9 Å²	66.9	100%	1.147	40%	0.4	S	S	*	.			trans	-71.9	0	171.5	50	0	0	0	0	112.4

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

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