X5J5I0_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5I0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 90 aa.

						>X5J5I0_MOUSE|X5J5I0
PELVKTGASGKISCKASGYSFTGYNMPWVKQSHGKSLEWIGGVNPNNGGTSYNQKFKGKAILTVDKSSSTAYMELRSLTSEDSAVYYCAR
					

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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	65.2	Low	83.1	Confident	180 Å²	180	101.9 Å²	101.9	100%	1.169	59%	0.59	S	S	*	*				0	121	0	-4.9	24.4	0	0	0	109.8
2	E	74.8	Confident	84.1	Confident	133 Å²	133	97 Å²	97	62%	0.621	56%	0.559	S	S	*	*			trans	-95.7	128.7	177.3	-165.6	176.8	171.2	0	0	109	V4	E2-V4 HydrophobicContact CG-CG2 4.15Å
3	L	77.7	Confident	85	Confident	173 Å²	173	95.7 Å²	95.7	91%	0.906	56%	0.559	S	S	*	*			trans	-104.5	114.8	178.6	-69.3	172.8	0	0	0	108.7
4	V	81.1	Confident	85.8	Confident	57 Å²	57	89.9 Å²	89.9	35%	0.345	53%	0.526	S	S	.	.			trans	-116.9	139.4	-179.7	-173.9	0	0	0	0	109	E2 A8 L78	E2-V4 HydrophobicContact CG-CG2 4.15Å; V4-A8 HydrophobicContact CG1-CB 3.86Å; V4-L78 HydrophobicContact CB-CD1 3.86Å; V4-L78 HydrophobicContact CG1-CD1 3.6Å; V4-L78 HydrophobicContact CG2-CD1 4.35Å
5	K	81.6	Confident	86.5	Confident	179 Å²	179	94.4 Å²	94.4	78%	0.778	54%	0.537	S	S	*	.			trans	-67.5	142.8	177.3	-65.6	-176.4	-178.9	178.8	0	110.3	G7 A8	K5-G7 PolarHBondContact O-N 3.24Å; K5-A8 VanDerWaalsContact O-CB 3.27Å; K5-A8 WeakPolarHBondContact O-CB 3.44Å; K5-A8 PolarHBondContact O-N 3.05Å; K5-A8 VanDerWaalsContact O-N 3.08Å
6	T	81.8	Confident	87	Confident	115 Å²	115	89.1 Å²	89.1	71%	0.706	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	137.6	170.9	-45.6	0	0	0	0	110.6	A8 L78	T6-A8 PolarHBondContact O-N 3.25Å; T6-L78 CarbonylContact C-O 3.58Å; T6-L78 WeakPolarHBondContact CA-O 3.33Å; T6-L78 WeakPolarHBondContact CG2-O 3.35Å
7	G	83.4	Confident	87.5	Confident	57 Å²	57	89.8 Å²	89.8	59%	0.588	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-13.5	-176.8	0	0	0	0	0	114.6	K5 L78	K5-G7 PolarHBondContact O-N 3.24Å; G7-L78 PolarHBondContact N-O 2.78Å
8	A	89.6	Confident	87.8	Confident	39 Å²	39	89.7 Å²	89.7	32%	0.322	54%	0.541	S	S	.	.	S	Bend	trans	-81.9	169.2	173	0	0	0	0	0	111.6	V4 K5 T6 L78	V4-A8 HydrophobicContact CG1-CB 3.86Å; K5-A8 VanDerWaalsContact O-CB 3.27Å; K5-A8 WeakPolarHBondContact O-CB 3.44Å; K5-A8 PolarHBondContact O-N 3.05Å; K5-A8 VanDerWaalsContact O-N 3.08Å; T6-A8 PolarHBondContact O-N 3.25Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 PolarHBondContact O-N 2.8Å
9	S	92.5	Very high	87.9	Confident	66 Å²	66	88.1 Å²	88.1	46%	0.462	53%	0.525	S	S	.	.			trans	-97.6	144.1	169.3	-57.4	0	0	0	0	110	L75	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.22Å; S9-L75 WeakPolarHBondContact CB-O 3.5Å
10	G	91.6	Very high	88.2	Confident	10 Å²	10	87.5 Å²	87.5	10%	0.103	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.6	174.2	0	0	0	0	0	110.7	E74 L75	G10-E74 CarbonylContact O-C 3.42Å; G10-E74 WeakPolarHBondContact O-CA 3.37Å; G10-L75 PolarHBondContact N-O 2.95Å; G10-L75 PolarHBondContact O-N 2.79Å
11	K	94.3	Very high	88.5	Confident	112 Å²	112	83.7 Å²	83.7	49%	0.487	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.4	-179.6	-173.7	178.2	179.3	-178.2	0	110.7	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.41Å; K11-Y72 HydrophobicContact CG-CD1 4.45Å; K11-M73 WeakPolarHBondContact CA-O 3.47Å
12	I	95.2	Very high	89.9	Confident	43 Å²	43	77.7 Å²	77.7	22%	0.221	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.2	179.3	-59.2	159.5	0	0	0	108.6	W28 Y72 M73 L75 Y86	I12-W28 HydrophobicContact CB-CH2 4.49Å; I12-W28 HydrophobicContact CB-CZ3 4.32Å; I12-W28 HydrophobicContact CG2-CH2 3.99Å; I12-W28 HydrophobicContact CG2-CZ3 3.71Å; I12-Y72 CarbonylContact O-C 3.51Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.2Å; I12-M73 HydrophobicContact CD1-CE 3.64Å; I12-M73 PolarHBondContact N-O 2.98Å; I12-M73 PolarHBondContact O-N 3.12Å; I12-L75 HydrophobicContact CD1-CD1 4.25Å; I12-Y86 HydrophobicContact CD1-CD1 4.43Å; I12-Y86 HydrophobicContact CD1-CD2 3.84Å; I12-Y86 HydrophobicContact CD1-CG 3.76Å
13	S	96.6	Very high	90.8	Very high	80 Å²	80	74 Å²	74	56%	0.559	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.8	176.1	62.8	0	0	0	0	111.8	A71 Y72	S13-A71 CarbonylContact C-O 3.57Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å
14	C	96.4	Very high	91.5	Very high	15 Å²	15	70.9 Å²	70.9	10%	0.101	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	107.7	174.9	177.4	0	0	0	0	109.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.55Å; C14-W28 HydrophobicContact CB-CZ2 3.82Å; C14-W28 HydrophobicContact CB-CZ3 4.43Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.26Å; C14-A71 PolarHBondContact N-O 3.3Å; C14-A71 PolarHBondContact O-N 2.98Å; C14-C88 HydrophobicContact CB-CB 3.52Å; C14-C88 WeakPolarHBondContact CB-SG 3.22Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.37Å
15	K	96.4	Very high	92.1	Very high	157 Å²	157	72.7 Å²	72.7	68%	0.683	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.9	-179.9	-171.7	174.1	-176.5	178	0	110.4	S68 T70	K15-S68 WeakPolarHBondContact CE-O 3.47Å; K15-T70 HydrophobicContact CB-CG2 4.46Å
16	A	94.6	Very high	92.8	Very high	10 Å²	10	64.3 Å²	64.3	8%	0.083	41%	0.408	C	S	.	.			trans	-80.6	145.7	175.2	0	0	0	0	0	111.3	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.95Å; A16-Y19 HydrophobicContact CB-CE2 4Å; A16-Y19 VanDerWaalsContact CB-CZ 3.45Å; A16-Y19 VanDerWaalsContact CB-OH 3.22Å; A16-Y19 WeakPolarHBondContact CB-OH 3.27Å; A16-F21 HydrophobicContact CB-CB 4.34Å; A16-F21 HydrophobicContact CB-CD2 3.43Å; A16-F21 VanDerWaalsContact CB-CD2 3.43Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 4.24Å; A16-S69 PolarHBondContact N-O 3.2Å
17	S	93.9	Very high	93.6	Very high	101 Å²	101	60.4 Å²	60.4	71%	0.706	39%	0.385	S	S	*	.			trans	-150.4	153	172.1	62.6	0	0	0	0	110.6	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 WeakPolarHBondContact O-CE1 3.45Å
18	G	93.2	Very high	94.3	Very high	88 Å²	88	57.8 Å²	57.8	91%	0.907	36%	0.357	S	S	*	.	S	Bend	trans	79.6	11.4	177.9	0	0	0	0	0	115.7
19	Y	90.4	Very high	94.6	Very high	59 Å²	59	57.3 Å²	57.3	23%	0.231	35%	0.35	C	S	.	.	S	Bend	trans	-160.1	168.6	174.8	62.6	-88.1	0	0	0	112.6	A16 S17 F21 Y24 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.95Å; A16-Y19 HydrophobicContact CB-CE2 4Å; A16-Y19 VanDerWaalsContact CB-CZ 3.45Å; A16-Y19 VanDerWaalsContact CB-OH 3.22Å; A16-Y19 WeakPolarHBondContact CB-OH 3.27Å; S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 WeakPolarHBondContact O-CE1 3.45Å; Y19-F21 PolarHBondContact O-N 2.83Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; Y19-Y24 AromaticContact CD2-CD2 3.59Å; Y19-Y24 HydrophobicContact CD2-CD2 3.59Å; Y19-Y24 AromaticContact CD2-CE2 3.95Å; Y19-Y24 HydrophobicContact CD2-CE2 3.95Å; Y19-Y24 HydrophobicContact CE2-CD2 4.01Å; Y19-M26 WeakPolarHBondContact OH-CE 3.39Å; Y19-R90 VanDerWaalsContact CE2-CD 3.41Å; Y19-R90 HydrophobicContact CE2-CG 4.47Å; Y19-R90 VanDerWaalsContact CG-CZ 3.46Å; Y19-R90 VanDerWaalsContact CZ-CD 3.46Å
20	S	93.9	Very high	94.8	Very high	76 Å²	76	54.8 Å²	54.8	53%	0.531	33%	0.331	S	S	.	.			trans	-71	102.9	173.9	-176	0	0	0	0	110.9	T22 G23 Y24	S20-T22 PolarHBondContact O-N 2.74Å; S20-G23 PolarHBondContact O-N 3.44Å; S20-Y24 WeakPolarHBondContact O-CD2 3.44Å
21	F	94.1	Very high	95	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.035	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-54.8	-37.7	-176.7	177.2	-120.6	0	0	0	113.3	A16 Y19 G23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.34Å; A16-F21 HydrophobicContact CB-CD2 3.43Å; A16-F21 VanDerWaalsContact CB-CD2 3.43Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 4.24Å; Y19-F21 PolarHBondContact O-N 2.83Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; F21-G23 VanDerWaalsContact C-N 3.26Å; F21-G23 PolarHBondContact O-N 2.77Å; F21-M26 HydrophobicContact CD2-CE 4.24Å; F21-M26 HydrophobicContact CE2-CE 3.82Å; F21-P45 HydrophobicContact CD1-CB 3.77Å; F21-P45 HydrophobicContact CD1-CG 4.49Å; F21-P45 HydrophobicContact CD2-CB 4.39Å; F21-P45 HydrophobicContact CD2-CG 4.26Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 4.18Å; F21-P45 HydrophobicContact CE2-CB 4.17Å; F21-P45 HydrophobicContact CE2-CG 3.92Å; F21-P45 HydrophobicContact CG-CB 4.23Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 3.88Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; F21-V64 HydrophobicContact CE1-CB 4.37Å; F21-V64 HydrophobicContact CZ-CB 4.34Å; F21-V64 HydrophobicContact CZ-CG1 4.11Å; F21-A71 HydrophobicContact CE2-CB 4.41Å; F21-A71 HydrophobicContact CZ-CB 4.24Å
22	T	95.4	Very high	95	Very high	54 Å²	54	53.1 Å²	53.1	33%	0.331	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-75.2	-11.6	179.3	54.5	0	0	0	0	113.7	S20 N46 K66	S20-T22 PolarHBondContact O-N 2.74Å; T22-N46 WeakPolarHBondContact O-CB 3.38Å; T22-K66 HydrophobicContact CG2-CD 4.34Å
23	G	93.7	Very high	94.8	Very high	55 Å²	55	59.7 Å²	59.7	57%	0.567	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-83.1	-9.1	-179.3	0	0	0	0	0	115.1	S20 F21	S20-G23 PolarHBondContact O-N 3.44Å; F21-G23 VanDerWaalsContact C-N 3.26Å; F21-G23 PolarHBondContact O-N 2.77Å
24	Y	91.9	Very high	94.4	Very high	108 Å²	108	60.2 Å²	60.2	42%	0.424	37%	0.371	S	S	.	.	S	Bend	trans	-134.3	139.6	-172.1	-63	-88.8	0	0	0	111.8	Y19 S20 P45 R90	Y19-Y24 AromaticContact CD2-CD2 3.59Å; Y19-Y24 HydrophobicContact CD2-CD2 3.59Å; Y19-Y24 AromaticContact CD2-CE2 3.95Å; Y19-Y24 HydrophobicContact CD2-CE2 3.95Å; Y19-Y24 HydrophobicContact CE2-CD2 4.01Å; S20-Y24 WeakPolarHBondContact O-CD2 3.44Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; Y24-P45 WeakPolarHBondContact O-CG 3.48Å; Y24-R90 HydrophobicContact CD1-CG 3.82Å; Y24-R90 HydrophobicContact CD2-CG 4.49Å; Y24-R90 HydrophobicContact CE1-CG 4.49Å; Y24-R90 HydrophobicContact CG-CG 3.82Å
25	N	94.3	Very high	94.1	Very high	94 Å²	94	66.1 Å²	66.1	50%	0.503	40%	0.395	S	S	.	.			trans	-65.7	147.9	166.3	-79.4	-25.6	0	0	0	110.3	P27 N44	N25-P27 WeakPolarHBondContact O-CD 3.32Å; N25-N44 VanDerWaalsContact OD1-CA 3.27Å; N25-N44 WeakPolarHBondContact OD1-CA 3.45Å; N25-N44 WeakPolarHBondContact OD1-CB 2.99Å; N25-N44 VanDerWaalsContact OD1-CG 3.28Å; N25-N44 PolarHBondContact OD1-ND2 3.47Å
26	M	96.5	Very high	93.9	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.015	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	89.5	176.4	-169.9	68.5	62.3	0	0	109.8	Y19 F21 G42 V43 A71 C88	Y19-M26 WeakPolarHBondContact OH-CE 3.39Å; F21-M26 HydrophobicContact CD2-CE 4.24Å; F21-M26 HydrophobicContact CE2-CE 3.82Å; M26-G42 WeakPolarHBondContact O-CA 3.33Å; M26-V43 HydrophobicContact CB-CG1 4.04Å; M26-V43 PolarHBondContact N-O 2.79Å; M26-V43 PolarHBondContact O-N 3.08Å; M26-V43 VanDerWaalsContact O-N 3.1Å; M26-A71 HydrophobicContact CB-CB 4.31Å; M26-A71 HydrophobicContact CG-CB 3.74Å; M26-C88 HydrophobicContact CG-CB 4.32Å; M26-C88 HydrophobicContact SD-CB 3.88Å
27	P	97	Very high	93.9	Very high	34 Å²	34	67.7 Å²	67.7	22%	0.221	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	146	170.2	27.3	-37.3	0	0	0	112.3	N25 G41 C88 A89	N25-P27 WeakPolarHBondContact O-CD 3.32Å; P27-G41 WeakPolarHBondContact CA-O 2.99Å; P27-C88 WeakPolarHBondContact O-CA 3.46Å; P27-A89 WeakPolarHBondContact CD-O 3.4Å; P27-A89 HydrophobicContact CG-CB 4.08Å; P27-A89 PolarHBondContact O-N 2.66Å
28	W	97.9	Very high	94	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.008	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.4	172.4	-69.8	87.7	0	0	0	110.2	I12 C14 I40 G41 L62 A71 M73 Y87 C88	I12-W28 HydrophobicContact CB-CH2 4.49Å; I12-W28 HydrophobicContact CB-CZ3 4.32Å; I12-W28 HydrophobicContact CG2-CH2 3.99Å; I12-W28 HydrophobicContact CG2-CZ3 3.71Å; C14-W28 HydrophobicContact CB-CH2 3.55Å; C14-W28 HydrophobicContact CB-CZ2 3.82Å; C14-W28 HydrophobicContact CB-CZ3 4.43Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.19Å; W28-I40 PolarHBondContact O-N 2.77Å; W28-G41 PolarHBondContact N-O 2.89Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; W28-A71 HydrophobicContact CZ2-CB 4.09Å; W28-M73 HydrophobicContact CB-SD 4.03Å; W28-M73 HydrophobicContact CD2-CB 3.92Å; W28-M73 HydrophobicContact CD2-CE 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.13Å; W28-M73 HydrophobicContact CE3-CB 4.05Å; W28-M73 HydrophobicContact CE3-CE 3.81Å; W28-M73 HydrophobicContact CE3-SD 4.13Å; W28-M73 HydrophobicContact CG-SD 4.12Å; W28-M73 HydrophobicContact CH2-CB 4.15Å; W28-M73 HydrophobicContact CZ2-CB 4.05Å; W28-M73 HydrophobicContact CZ3-CB 4.16Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; W28-Y87 WeakPolarHBondContact CA-O 3.41Å; W28-C88 HydrophobicContact CD2-CB 4.2Å; W28-C88 HydrophobicContact CE3-CB 4.01Å; W28-C88 HydrophobicContact CH2-CB 4.03Å; W28-C88 HydrophobicContact CZ2-CB 4.17Å; W28-C88 HydrophobicContact CZ3-CB 3.93Å
29	V	97.3	Very high	94.2	Very high	29 Å²	29	65.5 Å²	65.5	18%	0.176	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.9	-179.8	-60.5	0	0	0	0	110.9	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG2-CD2 4.18Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 2.95Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; V29-Y87 HydrophobicContact CG2-CD2 4.04Å; V29-Y87 HydrophobicContact CG2-CG 4.3Å; V29-Y87 PolarHBondContact N-O 3.23Å; V29-Y87 PolarHBondContact O-N 2.84Å
30	K	95.9	Very high	94.5	Very high	13 Å²	13	62.7 Å²	62.7	6%	0.057	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.8	175.3	-176.3	-179.3	177.2	-173.2	0	109.5	S32 E38 I40 F56 E81 D82 A84 Y86	K30-S32 WeakPolarHBondContact CE-OG 3.13Å; K30-E38 PolarHBondContact N-O 3.38Å; K30-E38 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.12Å; K30-F56 HydrophobicContact CB-CZ 4.4Å; K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 3.99Å; K30-E81 PolarHBondContact NZ-O 3.31Å; K30-D82 IonicContact NZ-OD1 3.69Å; K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 VanDerWaalsContact CE-CB 3.49Å; K30-A84 HydrophobicContact CG-CB 3.52Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.92Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 HydrophobicContact CG-CD1 4.23Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å
31	Q	95.8	Very high	94.6	Very high	72 Å²	72	59.1 Å²	59.1	34%	0.336	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	102.5	169.7	-166.5	179.6	20.9	0	0	110	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.73Å; Q31-L37 HydrophobicContact CG-CD2 4.04Å; Q31-A84 WeakPolarHBondContact O-CA 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; Q31-V85 PolarHBondContact N-O 3.47Å; Q31-V85 PolarHBondContact O-N 2.94Å; Q31-Y87 HydrophobicContact CB-CD2 4.5Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 2.78Å
32	S	94	Very high	94.8	Very high	14 Å²	14	59.1 Å²	59.1	10%	0.098	33%	0.334	C	S	.	.			trans	-80.2	153.4	171.4	-70.9	0	0	0	0	111	K30 G34 K35	K30-S32 WeakPolarHBondContact CE-OG 3.13Å; S32-G34 PolarHBondContact O-N 2.78Å; S32-K35 PolarHBondContact O-N 2.9Å
33	H	91.6	Very high	94.9	Very high	181 Å²	181	56.6 Å²	56.6	84%	0.838	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	125.6	175.9	-86.5	-146.1	0	0	0	111.5	K35	H33-K35 PolarHBondContact O-N 3.43Å
34	G	89.1	Confident	95	Very high	92 Å²	92	56 Å²	56	95%	0.948	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	9.9	179	0	0	0	0	0	115.4	S32	S32-G34 PolarHBondContact O-N 2.78Å
35	K	89.8	Confident	95.2	Very high	138 Å²	138	50.9 Å²	50.9	60%	0.6	28%	0.282	S	S	*	.	S	Bend	trans	-114.7	158.2	178.7	-61.5	-168.5	-178	179.2	0	112	S32 H33	S32-K35 PolarHBondContact O-N 2.9Å; H33-K35 PolarHBondContact O-N 3.43Å
36	S	91.3	Very high	95.3	Very high	94 Å²	94	50.9 Å²	50.9	66%	0.657	28%	0.282	S	S	*	.			trans	-65	163.6	170.2	57.9	0	0	0	0	111.6	E38	S36-E38 PolarHBondContact O-N 2.81Å
37	L	94.7	Very high	95.2	Very high	106 Å²	106	56.2 Å²	56.2	56%	0.555	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	130.7	171.3	-70.9	165.7	0	0	0	110.4	V29 Q31 Y87	V29-L37 HydrophobicContact CG2-CD2 4.18Å; Q31-L37 HydrophobicContact CB-CD2 3.73Å; Q31-L37 HydrophobicContact CG-CD2 4.04Å; L37-Y87 HydrophobicContact CD2-CD2 4.28Å; L37-Y87 HydrophobicContact CD2-CE2 4.27Å
38	E	95.8	Very high	95.1	Very high	39 Å²	39	56.3 Å²	56.3	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.4	174.8	-68.3	-170.7	98.4	0	0	109.7	V29 K30 S36 I40 K55 F56	V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 2.95Å; K30-E38 PolarHBondContact N-O 3.38Å; K30-E38 PolarHBondContact O-N 2.9Å; S36-E38 PolarHBondContact O-N 2.81Å; E38-I40 PolarHBondContact O-N 2.82Å; E38-K55 IonicContact OE1-NZ 2.77Å; E38-K55 PolarHBondContact OE1-NZ 3.32Å; E38-F56 HydrophobicContact CB-CE2 4.42Å; E38-F56 HydrophobicContact CB-CZ 4.43Å
39	W	96.8	Very high	95.1	Very high	105 Å²	105	58 Å²	58	40%	0.398	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.3	174.5	-176.8	77.2	0	0	0	110.8	G41 N53	W39-G41 PolarHBondContact NE1-O 3.09Å; W39-N53 HydrophobicContact CE3-CB 3.77Å; W39-N53 HydrophobicContact CZ3-CB 3.97Å; W39-N53 VanDerWaalsContact CZ3-N 3.34Å; W39-N53 WeakPolarHBondContact O-CB 3.39Å; W39-N53 PolarHBondContact O-ND2 2.6Å
40	I	97.3	Very high	95.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-48.8	-178.5	-60.2	174.3	0	0	0	110	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.19Å; W28-I40 PolarHBondContact O-N 2.77Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.12Å; E38-I40 PolarHBondContact O-N 2.82Å; I40-N53 WeakPolarHBondContact O-CB 3.49Å; I40-N53 PolarHBondContact O-N 3.47Å; I40-F56 HydrophobicContact CB-CD2 4.25Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.14Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.07Å; I40-F56 HydrophobicContact CG2-CD2 4.29Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; I40-A60 HydrophobicContact CG2-CB 3.78Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.6Å; I40-M73 VanDerWaalsContact CD1-SD 3.6Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; I40-Y86 HydrophobicContact CD1-CD1 3.68Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å
41	G	97.4	Very high	95.1	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-180	-168.5	0	0	0	0	0	111.4	P27 W28 W39 S51	P27-G41 WeakPolarHBondContact CA-O 2.99Å; W28-G41 PolarHBondContact N-O 2.89Å; W39-G41 PolarHBondContact NE1-O 3.09Å; G41-S51 CarbonylContact C-O 3.51Å; G41-S51 WeakPolarHBondContact CA-O 3.4Å
42	G	97.3	Very high	95.2	Very high	9 Å²	9	61.9 Å²	61.9	9%	0.093	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.3	172.7	0	0	0	0	0	111.2	M26 T50 S51	M26-G42 WeakPolarHBondContact O-CA 3.33Å; G42-T50 VanDerWaalsContact O-CA 3.31Å; G42-T50 WeakPolarHBondContact O-CA 3.38Å; G42-S51 PolarHBondContact N-O 3.24Å; G42-S51 PolarHBondContact O-N 2.94Å
43	V	97.4	Very high	95.3	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.006	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.8	170.8	60.8	0	0	0	0	109.7	M26 P45 G49 T50 L62 V64 A71	M26-V43 HydrophobicContact CB-CG1 4.04Å; M26-V43 PolarHBondContact N-O 2.79Å; M26-V43 PolarHBondContact O-N 3.08Å; M26-V43 VanDerWaalsContact O-N 3.1Å; V43-P45 VanDerWaalsContact O-CD 3.31Å; V43-P45 WeakPolarHBondContact O-CD 3.17Å; V43-G49 WeakPolarHBondContact CA-O 3.36Å; V43-T50 HydrophobicContact CB-CG2 4.02Å; V43-T50 HydrophobicContact CG2-CG2 3.79Å; V43-L62 HydrophobicContact CB-CB 3.96Å; V43-L62 HydrophobicContact CG1-CB 4.35Å; V43-V64 HydrophobicContact CB-CG1 4.23Å; V43-V64 HydrophobicContact CG1-CG1 3.57Å; V43-V64 HydrophobicContact CG2-CG1 3.61Å; V43-V64 HydrophobicContact CG2-CG2 4.37Å; V43-A71 HydrophobicContact CG1-CB 4.35Å
44	N	96.6	Very high	95.5	Very high	42 Å²	42	63.1 Å²	63.1	23%	0.225	37%	0.367	C	S	.	.			trans	-87.2	111.4	173	-174.7	-36.3	0	0	0	109	N25 N46 N47 G48 G49	N25-N44 VanDerWaalsContact OD1-CA 3.27Å; N25-N44 WeakPolarHBondContact OD1-CA 3.45Å; N25-N44 WeakPolarHBondContact OD1-CB 2.99Å; N25-N44 VanDerWaalsContact OD1-CG 3.28Å; N25-N44 PolarHBondContact OD1-ND2 3.47Å; N44-N46 PolarHBondContact O-N 2.98Å; N44-N46 WeakPolarHBondContact OD1-CA 3.48Å; N44-N46 WeakPolarHBondContact OD1-CB 2.99Å; N44-N46 PolarHBondContact OD1-N 3.35Å; N44-N47 WeakPolarHBondContact CB-OD1 3.42Å; N44-G48 WeakPolarHBondContact O-CA 3.47Å; N44-G48 PolarHBondContact O-N 2.9Å; N44-G49 PolarHBondContact N-O 2.01Å
45	P	96.2	Very high	95.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.8	-178.2	-17.1	32.8	0	0	0	114.2	F21 Y24 V43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.77Å; F21-P45 HydrophobicContact CD1-CG 4.49Å; F21-P45 HydrophobicContact CD2-CB 4.39Å; F21-P45 HydrophobicContact CD2-CG 4.26Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 4.18Å; F21-P45 HydrophobicContact CE2-CB 4.17Å; F21-P45 HydrophobicContact CE2-CG 3.92Å; F21-P45 HydrophobicContact CG-CB 4.23Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 3.88Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; Y24-P45 WeakPolarHBondContact O-CG 3.48Å; V43-P45 VanDerWaalsContact O-CD 3.31Å; V43-P45 WeakPolarHBondContact O-CD 3.17Å; P45-V64 HydrophobicContact CB-CG1 4.11Å; P45-V64 HydrophobicContact CG-CG1 4.22Å; P45-K66 WeakPolarHBondContact O-CE 3.35Å
46	N	95.6	Very high	95.9	Very high	95 Å²	95	59.5 Å²	59.5	51%	0.508	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-49.5	176.6	-167.6	15	0	0	0	112.2	T22 N44 K66	T22-N46 WeakPolarHBondContact O-CB 3.38Å; N44-N46 PolarHBondContact O-N 2.98Å; N44-N46 WeakPolarHBondContact OD1-CA 3.48Å; N44-N46 WeakPolarHBondContact OD1-CB 2.99Å; N44-N46 PolarHBondContact OD1-N 3.35Å; N46-K66 WeakPolarHBondContact O-CE 3.42Å; N46-K66 PolarHBondContact O-NZ 2.83Å
47	N	95.1	Very high	96	Very high	114 Å²	114	62.6 Å²	62.6	61%	0.61	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	-2.8	-172.9	64.5	14.5	0	0	0	114.1	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.42Å; N47-G49 PolarHBondContact O-N 2.89Å; N47-G49 PolarHBondContact OD1-N 3.05Å
48	G	94.8	Very high	95.9	Very high	36 Å²	36	60.9 Å²	60.9	37%	0.371	33%	0.334	S	S	.	.			trans	75.2	5.5	-178.2	0	0	0	0	0	114.3	N44 T50	N44-G48 WeakPolarHBondContact O-CA 3.47Å; N44-G48 PolarHBondContact O-N 2.9Å; G48-T50 PolarHBondContact O-N 2.92Å
49	G	96.8	Very high	95.8	Very high	38 Å²	38	61.3 Å²	61.3	39%	0.392	34%	0.336	S	S	.	.			trans	-61.4	135.5	178.3	0	0	0	0	0	111.2	V43 N44 N47	V43-G49 WeakPolarHBondContact CA-O 3.36Å; N44-G49 PolarHBondContact N-O 2.01Å; N47-G49 PolarHBondContact O-N 2.89Å; N47-G49 PolarHBondContact OD1-N 3.05Å
50	T	97.6	Very high	95.8	Very high	67 Å²	67	56.5 Å²	56.5	41%	0.411	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.5	-178.1	51.5	0	0	0	0	111.5	G42 V43 G48 Y52 L62	G42-T50 VanDerWaalsContact O-CA 3.31Å; G42-T50 WeakPolarHBondContact O-CA 3.38Å; V43-T50 HydrophobicContact CB-CG2 4.02Å; V43-T50 HydrophobicContact CG2-CG2 3.79Å; G48-T50 PolarHBondContact O-N 2.92Å; T50-Y52 HydrophobicContact CG2-CE2 4.48Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.42Å; T50-L62 HydrophobicContact CG2-CB 3.96Å
51	S	96.7	Very high	95.8	Very high	60 Å²	60	58.7 Å²	58.7	42%	0.42	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.6	169.6	62.3	0	0	0	0	109.1	G41 G42	G41-S51 CarbonylContact C-O 3.51Å; G41-S51 WeakPolarHBondContact CA-O 3.4Å; G42-S51 PolarHBondContact N-O 3.24Å; G42-S51 PolarHBondContact O-N 2.94Å
52	Y	97.4	Very high	95.8	Very high	68 Å²	68	59 Å²	59	27%	0.267	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.7	-175.1	-66.1	-87.8	0	0	0	110.8	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.48Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.42Å; Y52-A60 HydrophobicContact CE1-CB 4.29Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.24Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.75Å; Y52-L62 PolarHBondContact OH-N 3.14Å
53	N	96.4	Very high	95.8	Very high	46 Å²	46	61.7 Å²	61.7	25%	0.246	35%	0.346	C	S	.	.			trans	-70.1	138.8	157.8	-179.1	-25.8	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.77Å; W39-N53 HydrophobicContact CZ3-CB 3.97Å; W39-N53 VanDerWaalsContact CZ3-N 3.34Å; W39-N53 WeakPolarHBondContact O-CB 3.39Å; W39-N53 PolarHBondContact O-ND2 2.6Å; I40-N53 WeakPolarHBondContact O-CB 3.49Å; I40-N53 PolarHBondContact O-N 3.47Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 2.9Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.87Å; N53-K57 PolarHBondContact O-N 3.36Å; N53-K57 VanDerWaalsContact O-N 3.1Å
54	Q	95.3	Very high	95.8	Very high	175 Å²	175	63.3 Å²	63.3	82%	0.818	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-52.8	-36.6	-179.3	-70.3	-170.9	-15.4	0	0	113	F56 K57	Q54-F56 PolarHBondContact O-N 3.41Å; Q54-K57 PolarHBondContact O-N 3.1Å
55	K	92.7	Very high	95.8	Very high	145 Å²	145	63.9 Å²	63.9	63%	0.63	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-59.8	-30.2	178	-68.5	-173.1	-176.2	-175.7	0	114	E38 N53	E38-K55 IonicContact OE1-NZ 2.77Å; E38-K55 PolarHBondContact OE1-NZ 3.32Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 2.9Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å
56	F	94.4	Very high	95.7	Very high	9 Å²	9	69 Å²	69	4%	0.039	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-107.8	-5.8	-174.1	-61.5	-84.2	0	0	0	112.7	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.4Å; K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 3.99Å; E38-F56 HydrophobicContact CB-CE2 4.42Å; E38-F56 HydrophobicContact CB-CZ 4.43Å; I40-F56 HydrophobicContact CB-CD2 4.25Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.14Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.07Å; I40-F56 HydrophobicContact CG2-CD2 4.29Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.87Å; Q54-F56 PolarHBondContact O-N 3.41Å; F56-G58 PolarHBondContact O-N 2.99Å; F56-K59 PolarHBondContact O-N 3.27Å; F56-A60 HydrophobicContact CB-CB 4.3Å; F56-A60 PolarHBondContact O-N 2.97Å
57	K	93.6	Very high	95.7	Very high	160 Å²	160	69.7 Å²	69.7	70%	0.696	39%	0.393	S	S	*	.	B	Isolated β-bridge	trans	-62	123.5	176.3	-168.6	173.9	-177	-179.7	0	109.4	N53 Q54 K59	N53-K57 PolarHBondContact O-N 3.36Å; N53-K57 VanDerWaalsContact O-N 3.1Å; Q54-K57 PolarHBondContact O-N 3.1Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 3.23Å
58	G	92	Very high	95.7	Very high	69 Å²	69	66 Å²	66	71%	0.711	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-16	-175.7	0	0	0	0	0	114.8	F56	F56-G58 PolarHBondContact O-N 2.99Å
59	K	94.5	Very high	95.8	Very high	49 Å²	49	66.2 Å²	66.2	21%	0.213	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-42.4	174.1	-166.8	167.5	-166.6	176.2	0	112.5	F56 K57 L75 R76 D82	F56-K59 PolarHBondContact O-N 3.27Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 3.23Å; K59-L75 WeakPolarHBondContact O-CA 3.35Å; K59-R76 PolarHBondContact O-N 2.99Å; K59-D82 VanDerWaalsContact CE-CG 3.5Å; K59-D82 VanDerWaalsContact CE-OD1 3.32Å; K59-D82 WeakPolarHBondContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD2 3.12Å; K59-D82 IonicContact NZ-OD1 2.77Å; K59-D82 PolarHBondContact NZ-OD1 3.46Å; K59-D82 IonicContact NZ-OD2 2.6Å; K59-D82 PolarHBondContact NZ-OD2 2.62Å
60	A	96.6	Very high	95.8	Very high	3 Å²	3	64.8 Å²	64.8	3%	0.025	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141	176.6	0	0	0	0	0	111.1	I40 Y52 F56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.78Å; Y52-A60 HydrophobicContact CE1-CB 4.29Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.24Å; F56-A60 HydrophobicContact CB-CB 4.3Å; F56-A60 PolarHBondContact O-N 2.97Å; A60-M73 HydrophobicContact CB-CG 4.48Å; A60-E74 CarbonylContact C-O 3.56Å; A60-E74 WeakPolarHBondContact CA-O 3.49Å; A60-L75 HydrophobicContact CB-CD2 3.97Å
61	I	97.4	Very high	95.8	Very high	47 Å²	47	61.6 Å²	61.6	24%	0.241	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.3	169.4	-61	177.2	0	0	0	107.8	T63 M73 E74 R76	I61-T63 HydrophobicContact CG2-CG2 4.11Å; I61-M73 WeakPolarHBondContact O-CA 3.31Å; I61-E74 HydrophobicContact CB-CB 4.29Å; I61-E74 PolarHBondContact N-O 2.97Å; I61-E74 PolarHBondContact O-N 3.14Å; I61-R76 VanDerWaalsContact CD1-NE 3.29Å
62	L	97.8	Very high	95.9	Very high	7 Å²	7	61.3 Å²	61.3	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	128	179.4	-51.3	-178.9	0	0	0	109.7	W28 V43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.05Å; V43-L62 HydrophobicContact CB-CB 3.96Å; V43-L62 HydrophobicContact CG1-CB 4.35Å; T50-L62 HydrophobicContact CG2-CB 3.96Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.75Å; Y52-L62 PolarHBondContact OH-N 3.14Å; L62-Y72 WeakPolarHBondContact CA-O 3.36Å; L62-M73 HydrophobicContact CD2-CB 3.76Å; L62-M73 HydrophobicContact CD2-CG 3.59Å; L62-M73 HydrophobicContact CD2-SD 3.97Å
63	T	97.3	Very high	95.9	Very high	64 Å²	64	58 Å²	58	39%	0.393	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	164.6	177.7	57.1	0	0	0	0	110.8	I61 A71 Y72	I61-T63 HydrophobicContact CG2-CG2 4.11Å; T63-A71 WeakPolarHBondContact O-CA 3.26Å; T63-Y72 PolarHBondContact N-O 2.93Å; T63-Y72 PolarHBondContact O-N 2.88Å
64	V	97.4	Very high	95.9	Very high	36 Å²	36	58.6 Å²	58.6	22%	0.218	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.6	178.8	-70.4	0	0	0	0	110.2	F21 V43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.37Å; F21-V64 HydrophobicContact CZ-CB 4.34Å; F21-V64 HydrophobicContact CZ-CG1 4.11Å; V43-V64 HydrophobicContact CB-CG1 4.23Å; V43-V64 HydrophobicContact CG1-CG1 3.57Å; V43-V64 HydrophobicContact CG2-CG1 3.61Å; V43-V64 HydrophobicContact CG2-CG2 4.37Å; P45-V64 HydrophobicContact CB-CG1 4.11Å; P45-V64 HydrophobicContact CG-CG1 4.22Å; V64-A71 HydrophobicContact CG1-CB 4.17Å
65	D	96.4	Very high	95.9	Very high	53 Å²	53	50.4 Å²	50.4	28%	0.283	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	106.9	165.4	174	8.5	0	0	0	108.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.87Å; D65-S67 WeakPolarHBondContact OD1-CB 3.47Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 2.77Å; D65-S67 PolarHBondContact OD2-OG 2.91Å; D65-S68 PolarHBondContact OD1-N 2.9Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.17Å; D65-S68 PolarHBondContact OD2-OG 2.84Å; D65-S69 PolarHBondContact O-N 3.43Å; D65-S69 VanDerWaalsContact O-N 3.12Å; D65-T70 PolarHBondContact N-O 2.81Å; D65-T70 PolarHBondContact O-N 3.05Å; D65-Y72 HydrophobicContact CB-CE2 3.89Å
66	K	94.8	Very high	96	Very high	108 Å²	108	49 Å²	49	47%	0.47	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-31.4	-178.6	-56.2	-174.9	-162.1	-177.6	0	111.7	T22 P45 N46 S69	T22-K66 HydrophobicContact CG2-CD 4.34Å; P45-K66 WeakPolarHBondContact O-CE 3.35Å; N46-K66 WeakPolarHBondContact O-CE 3.42Å; N46-K66 PolarHBondContact O-NZ 2.83Å; K66-S69 PolarHBondContact O-N 2.91Å
67	S	94.3	Very high	95.9	Very high	110 Å²	110	52.4 Å²	52.4	77%	0.769	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-39.2	-176.3	72.7	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.87Å; D65-S67 WeakPolarHBondContact OD1-CB 3.47Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 2.77Å; D65-S67 PolarHBondContact OD2-OG 2.91Å
68	S	96.2	Very high	95.8	Very high	35 Å²	35	45.9 Å²	45.9	25%	0.245	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-0.3	177.7	66.8	0	0	0	0	113.9	K15 D65 T70	K15-S68 WeakPolarHBondContact CE-O 3.47Å; D65-S68 PolarHBondContact OD1-N 2.9Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.17Å; D65-S68 PolarHBondContact OD2-OG 2.84Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 3.1Å; S68-T70 VanDerWaalsContact O-OG1 3.14Å; S68-T70 WeakPolarHBondContact OG-CB 3.35Å; S68-T70 PolarHBondContact OG-OG1 2.87Å
69	S	96.3	Very high	95.8	Very high	42 Å²	42	45.3 Å²	45.3	29%	0.294	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	41.9	-171.9	-62.1	0	0	0	0	112.8	A16 D65 K66	A16-S69 PolarHBondContact N-O 3.2Å; D65-S69 PolarHBondContact O-N 3.43Å; D65-S69 VanDerWaalsContact O-N 3.12Å; K66-S69 PolarHBondContact O-N 2.91Å
70	T	97.6	Very high	95.5	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.6	-174.1	-50	0	0	0	0	110.9	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.26Å; K15-T70 HydrophobicContact CB-CG2 4.46Å; D65-T70 PolarHBondContact N-O 2.81Å; D65-T70 PolarHBondContact O-N 3.05Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 3.1Å; S68-T70 VanDerWaalsContact O-OG1 3.14Å; S68-T70 WeakPolarHBondContact OG-CB 3.35Å; S68-T70 PolarHBondContact OG-OG1 2.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å
71	A	97.5	Very high	95.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	147.5	166.6	0	0	0	0	0	109.8	S13 C14 F21 M26 W28 V43 T63 V64	S13-A71 CarbonylContact C-O 3.57Å; C14-A71 PolarHBondContact N-O 3.3Å; C14-A71 PolarHBondContact O-N 2.98Å; F21-A71 HydrophobicContact CE2-CB 4.41Å; F21-A71 HydrophobicContact CZ-CB 4.24Å; M26-A71 HydrophobicContact CB-CB 4.31Å; M26-A71 HydrophobicContact CG-CB 3.74Å; W28-A71 HydrophobicContact CZ2-CB 4.09Å; V43-A71 HydrophobicContact CG1-CB 4.35Å; T63-A71 WeakPolarHBondContact O-CA 3.26Å; V64-A71 HydrophobicContact CG1-CB 4.17Å
72	Y	97.5	Very high	94.8	Very high	53 Å²	53	52.8 Å²	52.8	21%	0.208	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.2	178	-57	-87	0	0	0	111	K11 I12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.41Å; K11-Y72 HydrophobicContact CG-CD1 4.45Å; I12-Y72 CarbonylContact O-C 3.51Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.2Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å; L62-Y72 WeakPolarHBondContact CA-O 3.36Å; T63-Y72 PolarHBondContact N-O 2.93Å; T63-Y72 PolarHBondContact O-N 2.88Å; D65-Y72 HydrophobicContact CB-CE2 3.89Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å
73	M	97.5	Very high	94.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.5	167.8	178.6	171.9	70	0	0	109	K11 I12 W28 I40 A60 I61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.47Å; I12-M73 HydrophobicContact CD1-CE 3.64Å; I12-M73 PolarHBondContact N-O 2.98Å; I12-M73 PolarHBondContact O-N 3.12Å; W28-M73 HydrophobicContact CB-SD 4.03Å; W28-M73 HydrophobicContact CD2-CB 3.92Å; W28-M73 HydrophobicContact CD2-CE 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.13Å; W28-M73 HydrophobicContact CE3-CB 4.05Å; W28-M73 HydrophobicContact CE3-CE 3.81Å; W28-M73 HydrophobicContact CE3-SD 4.13Å; W28-M73 HydrophobicContact CG-SD 4.12Å; W28-M73 HydrophobicContact CH2-CB 4.15Å; W28-M73 HydrophobicContact CZ2-CB 4.05Å; W28-M73 HydrophobicContact CZ3-CB 4.16Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.6Å; I40-M73 VanDerWaalsContact CD1-SD 3.6Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; A60-M73 HydrophobicContact CB-CG 4.48Å; I61-M73 WeakPolarHBondContact O-CA 3.31Å; L62-M73 HydrophobicContact CD2-CB 3.76Å; L62-M73 HydrophobicContact CD2-CG 3.59Å; L62-M73 HydrophobicContact CD2-SD 3.97Å; M73-L75 HydrophobicContact CE-CD1 4.13Å; M73-L75 HydrophobicContact CE-CG 4.3Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.34Å; M73-L75 HydrophobicContact SD-CD2 4.33Å; M73-Y86 HydrophobicContact CE-CD1 3.44Å; M73-Y86 VanDerWaalsContact CE-CD1 3.44Å; M73-Y86 HydrophobicContact CE-CE1 4.01Å; M73-Y86 HydrophobicContact CE-CG 3.96Å
74	E	96.7	Very high	94.3	Very high	57 Å²	57	55.3 Å²	55.3	27%	0.266	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.6	168.5	-177.1	-170.4	140.9	0	0	108.8	G10 A60 I61 R76	G10-E74 CarbonylContact O-C 3.42Å; G10-E74 WeakPolarHBondContact O-CA 3.37Å; A60-E74 CarbonylContact C-O 3.56Å; A60-E74 WeakPolarHBondContact CA-O 3.49Å; I61-E74 HydrophobicContact CB-CB 4.29Å; I61-E74 PolarHBondContact N-O 2.97Å; I61-E74 PolarHBondContact O-N 3.14Å; E74-R76 IonicContact OE1-CZ 3.63Å; E74-R76 IonicContact OE1-NE 2.91Å; E74-R76 PolarHBondContact OE1-NE 3.37Å; E74-R76 IonicContact OE1-NH2 3.43Å; E74-R76 PolarHBondContact OE1-NH2 3.13Å
75	L	95.3	Very high	94.2	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.2	172.6	-69.3	169.5	0	0	0	108.5	S9 G10 I12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.22Å; S9-L75 WeakPolarHBondContact CB-O 3.5Å; G10-L75 PolarHBondContact N-O 2.95Å; G10-L75 PolarHBondContact O-N 2.79Å; I12-L75 HydrophobicContact CD1-CD1 4.25Å; K59-L75 WeakPolarHBondContact O-CA 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.97Å; M73-L75 HydrophobicContact CE-CD1 4.13Å; M73-L75 HydrophobicContact CE-CG 4.3Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.34Å; M73-L75 HydrophobicContact SD-CD2 4.33Å; L75-L78 HydrophobicContact CB-CD2 3.64Å; L75-L78 HydrophobicContact CB-CG 4.26Å; L75-L78 HydrophobicContact CD1-CD2 4.03Å; L75-L78 HydrophobicContact CG-CD2 4.47Å; L75-Y86 HydrophobicContact CD1-CD1 4.36Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 3.97Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.42Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.49Å
76	R	94.2	Very high	94.2	Very high	116 Å²	116	56.2 Å²	56.2	44%	0.438	32%	0.319	S	S	.	.			trans	-99.5	151.3	-179.4	-65.1	-173.4	169.1	177.7	0.3	111.8	K59 I61 E74 L78	K59-R76 PolarHBondContact O-N 2.99Å; I61-R76 VanDerWaalsContact CD1-NE 3.29Å; E74-R76 IonicContact OE1-CZ 3.63Å; E74-R76 IonicContact OE1-NE 2.91Å; E74-R76 PolarHBondContact OE1-NE 3.37Å; E74-R76 IonicContact OE1-NH2 3.43Å; E74-R76 PolarHBondContact OE1-NH2 3.13Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 3.37Å
77	S	92.3	Very high	94.2	Very high	80 Å²	80	55.8 Å²	55.8	56%	0.559	31%	0.314	S	S	*	.	S	Bend	trans	50.8	52.7	174.2	-53.5	0	0	0	0	111.8	T79	S77-T79 PolarHBondContact O-N 3.22Å
78	L	91.9	Very high	94.3	Very high	23 Å²	23	52.7 Å²	52.7	12%	0.12	29%	0.292	C	S	.	.			trans	-59	133.4	-174.9	-75.7	167.6	0	0	0	111.4	V4 T6 G7 A8 L75 R76 D82	V4-L78 HydrophobicContact CB-CD1 3.86Å; V4-L78 HydrophobicContact CG1-CD1 3.6Å; V4-L78 HydrophobicContact CG2-CD1 4.35Å; T6-L78 CarbonylContact C-O 3.58Å; T6-L78 WeakPolarHBondContact CA-O 3.33Å; T6-L78 WeakPolarHBondContact CG2-O 3.35Å; G7-L78 PolarHBondContact N-O 2.78Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 PolarHBondContact O-N 2.8Å; L75-L78 HydrophobicContact CB-CD2 3.64Å; L75-L78 HydrophobicContact CB-CG 4.26Å; L75-L78 HydrophobicContact CD1-CD2 4.03Å; L75-L78 HydrophobicContact CG-CD2 4.47Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 3.37Å; L78-D82 WeakPolarHBondContact CA-OD2 3.45Å; L78-D82 HydrophobicContact CD2-CB 3.63Å
79	T	91.8	Very high	94.1	Very high	57 Å²	57	53.3 Å²	53.3	35%	0.35	30%	0.3	S	S	.	.			trans	-115	170.6	175.2	67.2	0	0	0	0	110.7	S77 E81 D82	S77-T79 PolarHBondContact O-N 3.22Å; T79-E81 PolarHBondContact O-N 2.83Å; T79-D82 PolarHBondContact N-OD2 2.97Å; T79-D82 WeakPolarHBondContact O-CB 2.9Å; T79-D82 PolarHBondContact O-N 3.5Å; T79-D82 PolarHBondContact OG1-OD2 3.39Å
80	S	88.8	Confident	93.6	Very high	99 Å²	99	59.1 Å²	59.1	69%	0.692	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-57.3	-30.1	174	51.8	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.6Å; S80-S83 VanDerWaalsContact O-CB 3.26Å; S80-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 3.34Å; S80-S83 VanDerWaalsContact O-N 3.12Å
81	E	88	Confident	93.4	Very high	147 Å²	147	61.7 Å²	61.7	69%	0.687	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-67.3	-20	176.4	-59.2	-176.9	164.7	0	0	113.3	K30 T79 S83	K30-E81 PolarHBondContact NZ-O 3.31Å; T79-E81 PolarHBondContact O-N 2.83Å; E81-S83 VanDerWaalsContact C-N 3.28Å
82	D	90.9	Very high	93.1	Very high	9 Å²	9	64.9 Å²	64.9	5%	0.048	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-82.5	-5.9	174.8	-58.5	-48.1	0	0	0	113	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.69Å; K59-D82 VanDerWaalsContact CE-CG 3.5Å; K59-D82 VanDerWaalsContact CE-OD1 3.32Å; K59-D82 WeakPolarHBondContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD2 3.12Å; K59-D82 IonicContact NZ-OD1 2.77Å; K59-D82 PolarHBondContact NZ-OD1 3.46Å; K59-D82 IonicContact NZ-OD2 2.6Å; K59-D82 PolarHBondContact NZ-OD2 2.62Å; L78-D82 WeakPolarHBondContact CA-OD2 3.45Å; L78-D82 HydrophobicContact CD2-CB 3.63Å; T79-D82 PolarHBondContact N-OD2 2.97Å; T79-D82 WeakPolarHBondContact O-CB 2.9Å; T79-D82 PolarHBondContact O-N 3.5Å; T79-D82 PolarHBondContact OG1-OD2 3.39Å; S80-D82 PolarHBondContact O-N 2.6Å; D82-A84 PolarHBondContact O-N 3.12Å; D82-Y86 WeakPolarHBondContact O-CE2 3.11Å; D82-Y86 PolarHBondContact O-OH 2.9Å
83	S	91.4	Very high	92.9	Very high	98 Å²	98	65.6 Å²	65.6	69%	0.685	35%	0.353	S	S	*	.			trans	-64.5	107.1	171.6	-165	0	0	0	0	109.8	S80 E81	S80-S83 VanDerWaalsContact O-CB 3.26Å; S80-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 3.34Å; S80-S83 VanDerWaalsContact O-N 3.12Å; E81-S83 VanDerWaalsContact C-N 3.28Å
84	A	93.9	Very high	92.6	Very high	26 Å²	26	69.5 Å²	69.5	22%	0.215	37%	0.374	C	S	.	.	S	Bend	trans	-163.3	167.4	-172.4	0	0	0	0	0	110.2	K30 Q31 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 VanDerWaalsContact CE-CB 3.49Å; K30-A84 HydrophobicContact CG-CB 3.52Å; Q31-A84 WeakPolarHBondContact O-CA 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; D82-A84 PolarHBondContact O-N 3.12Å; A84-Y86 HydrophobicContact CB-CE2 4.04Å
85	V	94.9	Very high	92.4	Very high	68 Å²	68	70.3 Å²	70.3	41%	0.412	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.3	163.2	-171.3	0	0	0	0	108.3	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.47Å; Q31-V85 PolarHBondContact O-N 2.94Å; V85-Y87 HydrophobicContact CB-CE2 3.92Å; V85-Y87 HydrophobicContact CG1-CD1 4.39Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.64Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.13Å
86	Y	95.9	Very high	92.2	Very high	41 Å²	41	74.7 Å²	74.7	16%	0.161	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132	178.8	-69.2	-85.8	0	0	0	109.4	I12 V29 K30 I40 M73 L75 D82 A84	I12-Y86 HydrophobicContact CD1-CD1 4.43Å; I12-Y86 HydrophobicContact CD1-CD2 3.84Å; I12-Y86 HydrophobicContact CD1-CG 3.76Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.92Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 HydrophobicContact CG-CD1 4.23Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å; I40-Y86 HydrophobicContact CD1-CD1 3.68Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å; M73-Y86 HydrophobicContact CE-CD1 3.44Å; M73-Y86 VanDerWaalsContact CE-CD1 3.44Å; M73-Y86 HydrophobicContact CE-CE1 4.01Å; M73-Y86 HydrophobicContact CE-CG 3.96Å; L75-Y86 HydrophobicContact CD1-CD1 4.36Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 3.97Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.42Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.49Å; D82-Y86 WeakPolarHBondContact O-CE2 3.11Å; D82-Y86 PolarHBondContact O-OH 2.9Å; A84-Y86 HydrophobicContact CB-CE2 4.04Å
87	Y	95.8	Very high	92	Very high	98 Å²	98	71.7 Å²	71.7	38%	0.384	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.4	179	-50	-92.4	0	0	0	110.1	W28 V29 Q31 L37 V85	W28-Y87 WeakPolarHBondContact CA-O 3.41Å; V29-Y87 HydrophobicContact CG2-CD2 4.04Å; V29-Y87 HydrophobicContact CG2-CG 4.3Å; V29-Y87 PolarHBondContact N-O 3.23Å; V29-Y87 PolarHBondContact O-N 2.84Å; Q31-Y87 HydrophobicContact CB-CD2 4.5Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 2.78Å; L37-Y87 HydrophobicContact CD2-CD2 4.28Å; L37-Y87 HydrophobicContact CD2-CE2 4.27Å; V85-Y87 HydrophobicContact CB-CE2 3.92Å; V85-Y87 HydrophobicContact CG1-CD1 4.39Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.64Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.13Å
88	C	95.4	Very high	92	Very high	45 Å²	45	71.1 Å²	71.1	30%	0.304	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	146.7	157.3	58.8	0	0	0	0	108.3	C14 M26 P27 W28	C14-C88 HydrophobicContact CB-CB 3.52Å; C14-C88 WeakPolarHBondContact CB-SG 3.22Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.37Å; M26-C88 HydrophobicContact CG-CB 4.32Å; M26-C88 HydrophobicContact SD-CB 3.88Å; P27-C88 WeakPolarHBondContact O-CA 3.46Å; W28-C88 HydrophobicContact CD2-CB 4.2Å; W28-C88 HydrophobicContact CE3-CB 4.01Å; W28-C88 HydrophobicContact CH2-CB 4.03Å; W28-C88 HydrophobicContact CZ2-CB 4.17Å; W28-C88 HydrophobicContact CZ3-CB 3.93Å
89	A	91.9	Very high	92	Very high	48 Å²	48	75.1 Å²	75.1	40%	0.397	41%	0.413	S	S	.	.			trans	-133.8	166.2	176.6	0	0	0	0	0	111.1	P27	P27-A89 WeakPolarHBondContact CD-O 3.4Å; P27-A89 HydrophobicContact CG-CB 4.08Å; P27-A89 PolarHBondContact O-N 2.66Å
90	R	85.6	Confident	92	Very high	165 Å²	165	76.7 Å²	76.7	62%	0.623	42%	0.419	S	S	*	.			trans	-124.9	0	167.7	171.2	177.8	66.4	145.5	-2.4	108.3	Y19 Y24	Y19-R90 VanDerWaalsContact CE2-CD 3.41Å; Y19-R90 HydrophobicContact CE2-CG 4.47Å; Y19-R90 VanDerWaalsContact CG-CZ 3.46Å; Y19-R90 VanDerWaalsContact CZ-CD 3.46Å; Y24-R90 HydrophobicContact CD1-CG 3.82Å; Y24-R90 HydrophobicContact CD2-CG 4.49Å; Y24-R90 HydrophobicContact CE1-CG 4.49Å; Y24-R90 HydrophobicContact CG-CG 3.82Å

Retrieved 90 of 90 residues in 52.3 ms (Link to these results)

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