X5J560_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J560, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 93 aa.

						>X5J560_MOUSE|X5J560|Ighv7-3
GGVVQPGGFLRLSCATSGFTFTDYYMSWVRQPPGKALEWLGFIRNKANGYTTEYSASVKGRFTISRDNSQSILYLQMNTLRAEDSATYYCASL
					

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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	G	60.8	Low	81.3	Confident	123 Å²	123	91.7 Å²	91.7	100%	1.268	59%	0.591	S	S	*	*				0	157.1	0	0	0	0	0	0	109.3
2	G	71.8	Confident	82.6	Confident	48 Å²	48	85.8 Å²	85.8	50%	0.495	55%	0.551	S	S	.	*			trans	-149.9	152.3	-179.4	0	0	0	0	0	111.5
3	V	75.9	Confident	83.7	Confident	155 Å²	155	85.8 Å²	85.8	94%	0.939	55%	0.554	S	S	*	*			trans	-90.2	129	174.1	-179.3	0	0	0	0	108.1
4	V	81.2	Confident	84.7	Confident	61 Å²	61	80.6 Å²	80.6	37%	0.37	52%	0.521	S	S	.	.			trans	-137.4	149.6	-177.7	-71.5	0	0	0	0	109.9	L10 L80	V4-L10 HydrophobicContact CG1-CB 4.47Å; V4-L10 HydrophobicContact CG1-CD1 4.15Å; V4-L10 HydrophobicContact CG2-CB 4.3Å; V4-L10 HydrophobicContact CG2-CD2 4.35Å; V4-L80 HydrophobicContact CB-CD1 4.39Å; V4-L80 HydrophobicContact CG2-CD1 3.3Å
5	Q	79.3	Confident	85.5	Confident	165 Å²	165	80.6 Å²	80.6	77%	0.771	53%	0.53	S	S	*	.			trans	-71.6	151.3	177.2	-66.1	-174.8	5.7	0	0	111.2	G8	Q5-G8 WeakPolarHBondContact O-CA 3.33Å; Q5-G8 PolarHBondContact O-N 3.5Å
6	P	79	Confident	86	Confident	101 Å²	101	77.3 Å²	77.3	66%	0.656	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	146	169.9	-24.6	34.3	0	0	0	112	G8	P6-G8 PolarHBondContact O-N 3.24Å
7	G	80.2	Confident	86.4	Confident	56 Å²	56	79.2 Å²	79.2	58%	0.577	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-10.5	-172	0	0	0	0	0	114	L80	G7-L80 PolarHBondContact N-O 3.31Å
8	G	87	Confident	86.7	Confident	26 Å²	26	79.7 Å²	79.7	27%	0.268	55%	0.545	S	S	.	.			trans	-73.2	-177.9	-179.7	0	0	0	0	0	114.7	Q5 P6 T79 L80	Q5-G8 WeakPolarHBondContact O-CA 3.33Å; Q5-G8 PolarHBondContact O-N 3.5Å; P6-G8 PolarHBondContact O-N 3.24Å; G8-T79 PolarHBondContact O-N 3.06Å; G8-L80 PolarHBondContact O-N 3.28Å
9	F	90	Very high	87	Confident	110 Å²	110	78.7 Å²	78.7	48%	0.482	53%	0.53	S	S	.	.			trans	-118.7	137.7	-179.4	168.7	-96.6	0	0	0	109.9	R11 Q76 M77 N78	F9-R11 HydrophobicContact CE1-CB 4.3Å; F9-R11 HydrophobicContact CZ-CB 4.17Å; F9-Q76 HydrophobicContact CD2-CG 4.28Å; F9-Q76 HydrophobicContact CE2-CG 3.26Å; F9-Q76 HydrophobicContact CZ-CG 3.79Å; F9-M77 WeakPolarHBondContact CA-O 3.3Å; F9-N78 WeakPolarHBondContact CD2-OD1 3.41Å; F9-N78 WeakPolarHBondContact CE2-OD1 3.41Å
10	L	93.2	Very high	87.4	Confident	35 Å²	35	78.8 Å²	78.8	18%	0.183	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.6	171	-175.1	62.4	0	0	0	109.8	V4 L12 M77 L80	V4-L10 HydrophobicContact CG1-CB 4.47Å; V4-L10 HydrophobicContact CG1-CD1 4.15Å; V4-L10 HydrophobicContact CG2-CB 4.3Å; V4-L10 HydrophobicContact CG2-CD2 4.35Å; L10-L12 HydrophobicContact CD2-CD2 3.72Å; L10-L12 HydrophobicContact CD2-CG 4.41Å; L10-L12 HydrophobicContact CG-CD2 4Å; L10-M77 HydrophobicContact CD2-SD 4.43Å; L10-M77 PolarHBondContact N-O 3.31Å; L10-M77 WeakPolarHBondContact O-CA 3.49Å; L10-M77 WeakPolarHBondContact O-CB 3.2Å; L10-M77 PolarHBondContact O-N 3.27Å; L10-L80 HydrophobicContact CB-CD1 3.78Å
11	R	95.7	Very high	87.8	Confident	129 Å²	129	75.2 Å²	75.2	49%	0.487	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.7	168.5	-173	176.5	178.3	-178.2	-1.9	109.3	F9 Y74 L75	F9-R11 HydrophobicContact CE1-CB 4.3Å; F9-R11 HydrophobicContact CZ-CB 4.17Å; R11-Y74 HydrophobicContact CG-CD1 4.44Å; R11-Y74 VanDerWaalsContact NE-CD1 3.33Å; R11-Y74 VanDerWaalsContact NH2-CD2 3.32Å; R11-L75 WeakPolarHBondContact CA-O 3.19Å
12	L	96.9	Very high	89.5	Confident	21 Å²	21	72.1 Å²	72.1	11%	0.11	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	148.1	170.5	-55.9	-178.9	0	0	0	109.7	L10 W28 Y74 L75 M77 Y88	L10-L12 HydrophobicContact CD2-CD2 3.72Å; L10-L12 HydrophobicContact CD2-CG 4.41Å; L10-L12 HydrophobicContact CG-CD2 4Å; L12-W28 HydrophobicContact CB-CH2 3.88Å; L12-W28 HydrophobicContact CB-CZ2 4.38Å; L12-W28 HydrophobicContact CB-CZ3 4.4Å; L12-W28 HydrophobicContact CD1-CZ3 4.33Å; L12-Y74 VanDerWaalsContact O-CA 3.27Å; L12-Y74 WeakPolarHBondContact O-CA 3.46Å; L12-L75 HydrophobicContact CB-CB 4.27Å; L12-L75 HydrophobicContact CD1-CD2 4.4Å; L12-L75 PolarHBondContact N-O 2.98Å; L12-L75 PolarHBondContact O-N 2.91Å; L12-M77 HydrophobicContact CD1-SD 3.83Å; L12-M77 HydrophobicContact CG-SD 4Å; L12-Y88 HydrophobicContact CD1-CD1 3.87Å; L12-Y88 HydrophobicContact CD1-CD2 4.03Å; L12-Y88 HydrophobicContact CD1-CG 3.57Å
13	S	97.6	Very high	90.6	Very high	85 Å²	85	74.3 Å²	74.3	59%	0.594	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.4	169.7	56.5	0	0	0	0	109.6	L73	S13-L73 CarbonylContact C-O 3.57Å; S13-L73 WeakPolarHBondContact CA-O 3.36Å
14	C	97.1	Very high	91.6	Very high	14 Å²	14	71.5 Å²	71.5	10%	0.095	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	110.4	171.4	160.3	0	0	0	0	108.6	T16 W28 I72 L73 C90	C14-T16 VanDerWaalsContact SG-CG2 3.57Å; C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 4.12Å; C14-I72 CarbonylContact O-C 3.58Å; C14-I72 VanDerWaalsContact O-CA 3.31Å; C14-I72 WeakPolarHBondContact O-CA 3.21Å; C14-L73 HydrophobicContact CB-CB 4.43Å; C14-L73 PolarHBondContact N-O 3Å; C14-L73 PolarHBondContact O-N 3.11Å; C14-C90 HydrophobicContact CB-CB 3.49Å; C14-C90 VanDerWaalsContact CB-CB 3.49Å; C14-C90 WeakPolarHBondContact CB-SG 3.34Å; C14-C90 WeakPolarHBondContact SG-CB 3.36Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 3.48Å
15	A	96.4	Very high	92.4	Very high	80 Å²	80	71.7 Å²	71.7	66%	0.661	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	135.9	169.6	0	0	0	0	0	109.3	I72	A15-I72 HydrophobicContact CB-CG1 4.17Å
16	T	93.3	Very high	93.3	Very high	28 Å²	28	63.9 Å²	63.9	17%	0.172	39%	0.392	C	S	.	.			trans	-122.5	153.1	-177	60.6	0	0	0	0	111	C14 F19 F21 M26 S71	C14-T16 VanDerWaalsContact SG-CG2 3.57Å; T16-F19 HydrophobicContact CG2-CE1 4.36Å; T16-F19 HydrophobicContact CG2-CZ 4.12Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.36Å; T16-M26 HydrophobicContact CG2-CE 4.11Å; T16-S71 PolarHBondContact N-O 2.79Å; T16-S71 PolarHBondContact OG1-O 2.85Å
17	S	93.3	Very high	94.2	Very high	109 Å²	109	59.2 Å²	59.2	76%	0.762	36%	0.362	S	S	*	.			trans	-151.5	165.1	177.5	61.6	0	0	0	0	109.7
18	G	92.5	Very high	95.1	Very high	89 Å²	89	56.9 Å²	56.9	92%	0.918	34%	0.336	S	S	*	.	S	Bend	trans	88.8	2.6	177.9	0	0	0	0	0	115.6
19	F	92.4	Very high	95.6	Very high	61 Å²	61	57 Å²	57	27%	0.268	33%	0.331	S	S	.	.	S	Bend	trans	-153.6	164.2	173.4	64.5	-82.3	0	0	0	111.1	T16 F21 Y24 M26	T16-F19 HydrophobicContact CG2-CE1 4.36Å; T16-F19 HydrophobicContact CG2-CZ 4.12Å; F19-F21 HydrophobicContact CE2-CB 4.32Å; F19-F21 HydrophobicContact CE2-CD2 4.15Å; F19-F21 HydrophobicContact CZ-CD2 4.23Å; F19-F21 PolarHBondContact O-N 2.79Å; F19-Y24 HydrophobicContact CB-CE2 4.22Å; F19-Y24 AromaticContact CD2-CD2 3.54Å; F19-Y24 HydrophobicContact CD2-CD2 3.54Å; F19-Y24 AromaticContact CD2-CE2 3.98Å; F19-Y24 HydrophobicContact CD2-CE2 3.98Å; F19-Y24 HydrophobicContact CD2-CG 4.06Å; F19-Y24 HydrophobicContact CE2-CD2 4.18Å; F19-Y24 HydrophobicContact CE2-CG 4.33Å; F19-Y24 HydrophobicContact CG-CD2 4.49Å; F19-M26 HydrophobicContact CE2-SD 3.99Å; F19-M26 HydrophobicContact CZ-CE 4.14Å; F19-M26 HydrophobicContact CZ-SD 4.1Å
20	T	95.1	Very high	96	Very high	80 Å²	80	52.5 Å²	52.5	49%	0.491	31%	0.311	S	S	.	.			trans	-76.4	89	176.8	-50.1	0	0	0	0	110.4	T22 D23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.38Å; T20-T22 PolarHBondContact O-N 2.9Å; T20-D23 WeakPolarHBondContact CB-OD2 3.37Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.12Å; T20-D23 PolarHBondContact O-N 2.79Å; T20-Y24 WeakPolarHBondContact O-CD2 3.44Å
21	F	95.7	Very high	96.2	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.018	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-36.2	-174.4	-179.3	-102.5	0	0	0	114.4	T16 F19 D23 M26 R66 N68 L73	T16-F21 WeakPolarHBondContact OG1-CD2 3.36Å; F19-F21 HydrophobicContact CE2-CB 4.32Å; F19-F21 HydrophobicContact CE2-CD2 4.15Å; F19-F21 HydrophobicContact CZ-CD2 4.23Å; F19-F21 PolarHBondContact O-N 2.79Å; F21-D23 PolarHBondContact O-N 2.87Å; F21-M26 HydrophobicContact CD2-CE 4.22Å; F21-M26 HydrophobicContact CD2-CG 4.18Å; F21-M26 HydrophobicContact CD2-SD 3.82Å; F21-M26 HydrophobicContact CE2-CE 3.81Å; F21-M26 HydrophobicContact CE2-CG 3.58Å; F21-M26 HydrophobicContact CE2-SD 3.69Å; F21-M26 HydrophobicContact CZ-CG 3.98Å; F21-R66 HydrophobicContact CE1-CB 4.09Å; F21-R66 HydrophobicContact CZ-CB 4.04Å; F21-R66 PolarHBondContact O-NH2 2.86Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.31Å; F21-N68 VanDerWaalsContact CE1-OD1 3.25Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.35Å; F21-L73 HydrophobicContact CZ-CB 4.44Å
22	T	96.1	Very high	96.2	Very high	57 Å²	57	48.8 Å²	48.8	35%	0.35	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.6	-179.4	51.7	0	0	0	0	114.4	T20 N45 N68	T20-T22 WeakPolarHBondContact CG2-OG1 3.38Å; T20-T22 PolarHBondContact O-N 2.9Å; T22-N45 VanDerWaalsContact O-CB 3.27Å; T22-N45 WeakPolarHBondContact O-CB 3.32Å; T22-N68 HydrophobicContact CG2-CB 3.86Å
23	D	95.6	Very high	96.2	Very high	95 Å²	95	53 Å²	53	51%	0.508	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-24.9	-169.9	-59.3	-10.3	0	0	0	111.5	T20 F21 N45	T20-D23 WeakPolarHBondContact CB-OD2 3.37Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.12Å; T20-D23 PolarHBondContact O-N 2.79Å; F21-D23 PolarHBondContact O-N 2.87Å; D23-N45 PolarHBondContact O-ND2 2.59Å
24	Y	96.7	Very high	96.1	Very high	96 Å²	96	53.3 Å²	53.3	38%	0.376	35%	0.345	S	S	.	.	S	Bend	trans	-94	153	-175.1	-67.4	-97.4	0	0	0	112.2	F19 T20 R66 L93	F19-Y24 HydrophobicContact CB-CE2 4.22Å; F19-Y24 AromaticContact CD2-CD2 3.54Å; F19-Y24 HydrophobicContact CD2-CD2 3.54Å; F19-Y24 AromaticContact CD2-CE2 3.98Å; F19-Y24 HydrophobicContact CD2-CE2 3.98Å; F19-Y24 HydrophobicContact CD2-CG 4.06Å; F19-Y24 HydrophobicContact CE2-CD2 4.18Å; F19-Y24 HydrophobicContact CE2-CG 4.33Å; F19-Y24 HydrophobicContact CG-CD2 4.49Å; T20-Y24 WeakPolarHBondContact O-CD2 3.44Å; Y24-R66 PolarHBondContact O-NH1 3.16Å; Y24-L93 VanDerWaalsContact CD1-O 3.29Å; Y24-L93 WeakPolarHBondContact CD1-O 3.11Å
25	Y	97.8	Very high	96.1	Very high	65 Å²	65	59 Å²	59	26%	0.255	37%	0.368	S	S	.	.			trans	-79.6	152.3	162	-54.8	-12.2	0	0	0	108	I43 R44 N45 N48 S92 L93	Y25-I43 WeakPolarHBondContact CA-O 3.36Å; Y25-R44 HydrophobicContact CD1-CB 3.85Å; Y25-R44 HydrophobicContact CD1-CG 4.27Å; Y25-R44 HydrophobicContact CD2-CG 4.13Å; Y25-R44 HydrophobicContact CE1-CB 3.77Å; Y25-R44 HydrophobicContact CE1-CG 4.13Å; Y25-R44 HydrophobicContact CE2-CG 4.03Å; Y25-R44 HydrophobicContact CG-CB 4.26Å; Y25-R44 HydrophobicContact CG-CG 4.26Å; Y25-N45 HydrophobicContact CD1-CB 4.07Å; Y25-N45 HydrophobicContact CE1-CB 4.24Å; Y25-N48 HydrophobicContact CE1-CB 4.26Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.38Å; Y25-N48 PolarHBondContact OH-ND2 3.11Å; Y25-N48 PolarHBondContact OH-OD1 3.5Å; Y25-S92 WeakPolarHBondContact O-CA 3.44Å; Y25-L93 PolarHBondContact N-O 3.49Å; Y25-L93 PolarHBondContact O-N 2.87Å
26	M	98.1	Very high	96.1	Very high	1 Å²	1	59 Å²	59	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.2	-174.8	-61.3	-58.7	-50.6	0	0	109.5	T16 F19 F21 F42 I43 L73 A91	T16-M26 HydrophobicContact CG2-CE 4.11Å; F19-M26 HydrophobicContact CE2-SD 3.99Å; F19-M26 HydrophobicContact CZ-CE 4.14Å; F19-M26 HydrophobicContact CZ-SD 4.1Å; F21-M26 HydrophobicContact CD2-CE 4.22Å; F21-M26 HydrophobicContact CD2-CG 4.18Å; F21-M26 HydrophobicContact CD2-SD 3.82Å; F21-M26 HydrophobicContact CE2-CE 3.81Å; F21-M26 HydrophobicContact CE2-CG 3.58Å; F21-M26 HydrophobicContact CE2-SD 3.69Å; F21-M26 HydrophobicContact CZ-CG 3.98Å; M26-F42 CarbonylContact O-C 3.49Å; M26-F42 WeakPolarHBondContact O-CA 3.47Å; M26-F42 WeakPolarHBondContact O-CB 3.34Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.38Å; M26-I43 PolarHBondContact O-N 3.06Å; M26-L73 HydrophobicContact CB-CD1 3.54Å; M26-L73 HydrophobicContact CB-CD2 3.84Å; M26-L73 HydrophobicContact CB-CG 4.22Å; M26-L73 HydrophobicContact CG-CD1 4.35Å; M26-A91 WeakPolarHBondContact CA-O 3.18Å
27	S	98.1	Very high	96.3	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.021	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.8	-177	-67.9	0	0	0	0	112.2	G41 F42 C90 A91 L93	S27-G41 VanDerWaalsContact CA-O 3.31Å; S27-G41 WeakPolarHBondContact CA-O 3.41Å; S27-F42 WeakPolarHBondContact OG-CB 3.34Å; S27-C90 CarbonylContact O-C 3.58Å; S27-C90 VanDerWaalsContact O-CA 3.27Å; S27-C90 WeakPolarHBondContact O-CA 3.41Å; S27-A91 PolarHBondContact N-O 2.64Å; S27-A91 PolarHBondContact O-N 3.31Å; S27-L93 WeakPolarHBondContact OG-CD1 3.42Å
28	W	98.4	Very high	96.5	Very high	7 Å²	7	60.6 Å²	60.6	3%	0.027	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.3	161.9	-77.2	96.9	0	0	0	110.3	L12 C14 L40 G41 L73 Y74 L75 Y89 C90	L12-W28 HydrophobicContact CB-CH2 3.88Å; L12-W28 HydrophobicContact CB-CZ2 4.38Å; L12-W28 HydrophobicContact CB-CZ3 4.4Å; L12-W28 HydrophobicContact CD1-CZ3 4.33Å; C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 4.12Å; W28-L40 HydrophobicContact CB-CB 4.26Å; W28-L40 WeakPolarHBondContact O-CB 3.45Å; W28-L40 PolarHBondContact O-N 3.4Å; W28-G41 PolarHBondContact N-O 2.94Å; W28-L73 HydrophobicContact CD2-CD2 4.27Å; W28-L73 HydrophobicContact CG-CD2 4.26Å; W28-L73 HydrophobicContact CZ2-CD2 4.21Å; W28-L73 HydrophobicContact CZ2-CG 4.25Å; W28-Y74 PolarHBondContact NE1-O 3.08Å; W28-L75 HydrophobicContact CB-CD2 4.44Å; W28-L75 HydrophobicContact CD2-CB 3.87Å; W28-L75 HydrophobicContact CD2-CD2 4.12Å; W28-L75 HydrophobicContact CD2-CG 4.46Å; W28-L75 HydrophobicContact CE3-CD2 4.37Å; W28-L75 HydrophobicContact CG-CB 4.17Å; W28-L75 HydrophobicContact CG-CD1 4.15Å; W28-L75 HydrophobicContact CG-CD2 4.15Å; W28-L75 HydrophobicContact CG-CG 4.4Å; W28-L75 HydrophobicContact CZ2-CB 3.86Å; W28-Y89 WeakPolarHBondContact CA-O 3.25Å; W28-Y89 VanDerWaalsContact CE3-O 3.32Å; W28-C90 HydrophobicContact CZ3-CB 4.47Å
29	V	98.1	Very high	96.8	Very high	28 Å²	28	61.2 Å²	61.2	17%	0.17	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.9	176.3	-174.4	0	0	0	0	107.3	L37 E38 Y89	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.67Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; V29-E38 CarbonylContact C-O 3.49Å; V29-E38 WeakPolarHBondContact CA-O 3.26Å; V29-E38 WeakPolarHBondContact CG1-O 3.48Å; V29-Y89 PolarHBondContact N-O 3.28Å; V29-Y89 PolarHBondContact O-N 3.11Å
30	R	97.5	Very high	97	Very high	16 Å²	16	58.3 Å²	58.3	6%	0.06	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	156.7	171.1	70.5	174.9	-178.7	-167.9	5.7	111.7	L37 E38 L40 D84 A86 T87 Y88	R30-L37 WeakPolarHBondContact O-CA 3.27Å; R30-E38 HydrophobicContact CG-CB 4.03Å; R30-E38 IonicContact CZ-OE2 2.69Å; R30-E38 PolarHBondContact N-O 2.69Å; R30-E38 IonicContact NE-OE2 3.47Å; R30-E38 PolarHBondContact NE-OE2 3.23Å; R30-E38 IonicContact NH2-OE2 3.33Å; R30-E38 PolarHBondContact NH2-OE2 2.83Å; R30-E38 PolarHBondContact O-N 2.97Å; R30-L40 HydrophobicContact CB-CD1 4.02Å; R30-L40 HydrophobicContact CB-CG 4.38Å; R30-L40 HydrophobicContact CG-CD1 4.08Å; R30-L40 HydrophobicContact CG-CD2 3.81Å; R30-L40 HydrophobicContact CG-CG 4.06Å; R30-D84 IonicContact NH1-OD1 2.89Å; R30-D84 PolarHBondContact NH1-OD1 2.99Å; R30-A86 HydrophobicContact CB-CB 3.88Å; R30-A86 HydrophobicContact CG-CB 4.26Å; R30-T87 CarbonylContact C-O 3.45Å; R30-T87 WeakPolarHBondContact CA-O 3.44Å; R30-Y88 HydrophobicContact CB-CD1 4.01Å; R30-Y88 HydrophobicContact CB-CE1 3.93Å; R30-Y88 HydrophobicContact CB-CG 4.35Å
31	Q	97.8	Very high	97.2	Very high	73 Å²	73	54.5 Å²	54.5	34%	0.341	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	103.4	172.1	-169.5	177.4	26.3	0	0	109.4	K35 L37 A86 T87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.03Å; Q31-K35 PolarHBondContact NE2-O 2.85Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 4.34Å; Q31-A86 WeakPolarHBondContact O-CB 3.02Å; Q31-T87 PolarHBondContact N-O 3.43Å; Q31-T87 PolarHBondContact O-N 3.33Å; Q31-Y89 HydrophobicContact CB-CE2 3.84Å; Q31-Y89 PolarHBondContact OE1-OH 3.07Å
32	P	96.4	Very high	97.3	Very high	12 Å²	12	55.4 Å²	55.4	8%	0.078	31%	0.307	C	S	.	.			trans	-64.4	152.3	169.7	-18.1	31	0	0	0	110.9	G34 K35 A86	P32-G34 PolarHBondContact O-N 2.98Å; P32-K35 HydrophobicContact CB-CB 4.06Å; P32-K35 HydrophobicContact CB-CD 3.98Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.27Å; P32-K35 HydrophobicContact CG-CD 4.23Å; P32-K35 PolarHBondContact O-N 2.89Å; P32-A86 HydrophobicContact CG-CB 4.44Å
33	P	95.8	Very high	97.4	Very high	109 Å²	109	53.2 Å²	53.2	71%	0.708	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	126.5	177.3	-25.4	34.3	0	0	0	112	K35	P33-K35 PolarHBondContact O-N 3.2Å
34	G	96.6	Very high	97.6	Very high	93 Å²	93	51.3 Å²	51.3	96%	0.959	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	10.4	179.4	0	0	0	0	0	115.5	P32	P32-G34 PolarHBondContact O-N 2.98Å
35	K	96.4	Very high	97.6	Very high	132 Å²	132	47.7 Å²	47.7	57%	0.574	27%	0.266	S	S	*	.	S	Bend	trans	-117.7	164.4	179.4	-61	-167.6	-176.4	178.8	0	112.6	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.03Å; Q31-K35 PolarHBondContact NE2-O 2.85Å; P32-K35 HydrophobicContact CB-CB 4.06Å; P32-K35 HydrophobicContact CB-CD 3.98Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.27Å; P32-K35 HydrophobicContact CG-CD 4.23Å; P32-K35 PolarHBondContact O-N 2.89Å; P33-K35 PolarHBondContact O-N 3.2Å
36	A	96.6	Very high	97.5	Very high	80 Å²	80	51.7 Å²	51.7	66%	0.661	28%	0.284	S	S	*	.			trans	-67.4	167.9	171.5	0	0	0	0	0	111.6
37	L	97.3	Very high	97.4	Very high	109 Å²	109	56 Å²	56	57%	0.571	32%	0.32	S	S	*	.			trans	-66.7	134.9	173.5	-72.9	165.2	0	0	0	110.9	V29 R30 Q31 Y89	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.67Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; R30-L37 WeakPolarHBondContact O-CA 3.27Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 4.34Å; L37-Y89 HydrophobicContact CD2-CD2 3.93Å; L37-Y89 HydrophobicContact CD2-CE2 3.92Å
38	E	97.6	Very high	97.3	Very high	63 Å²	63	59.4 Å²	59.4	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.6	177.4	-65.3	178.5	-178.2	0	0	109.6	V29 R30	V29-E38 CarbonylContact C-O 3.49Å; V29-E38 WeakPolarHBondContact CA-O 3.26Å; V29-E38 WeakPolarHBondContact CG1-O 3.48Å; R30-E38 HydrophobicContact CG-CB 4.03Å; R30-E38 IonicContact CZ-OE2 2.69Å; R30-E38 PolarHBondContact N-O 2.69Å; R30-E38 IonicContact NE-OE2 3.47Å; R30-E38 PolarHBondContact NE-OE2 3.23Å; R30-E38 IonicContact NH2-OE2 3.33Å; R30-E38 PolarHBondContact NH2-OE2 2.83Å; R30-E38 PolarHBondContact O-N 2.97Å
39	W	98	Very high	97.3	Very high	101 Å²	101	61.6 Å²	61.6	38%	0.383	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.8	172.6	176.2	84.3	0	0	0	110.9	G41 F42 E53 S55	W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 VanDerWaalsContact CZ2-C 3.43Å; W39-G41 PolarHBondContact NE1-O 3.21Å; W39-F42 HydrophobicContact CH2-CD1 4.44Å; W39-F42 AromaticContact CZ2-CD1 3.45Å; W39-F42 HydrophobicContact CZ2-CD1 3.45Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.45Å; W39-F42 AromaticContact CZ2-CE1 3.99Å; W39-F42 HydrophobicContact CZ2-CE1 3.99Å; W39-F42 HydrophobicContact CZ2-CG 4.33Å; W39-E53 HydrophobicContact CH2-CB 4.24Å; W39-S55 WeakPolarHBondContact O-CB 3.29Å; W39-S55 PolarHBondContact O-OG 3.4Å
40	L	98	Very high	97.2	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-36.7	-177.7	-63.6	-173.2	0	0	0	113.5	W28 R30 Y54 S55 V58 F62 L75 Y88	W28-L40 HydrophobicContact CB-CB 4.26Å; W28-L40 WeakPolarHBondContact O-CB 3.45Å; W28-L40 PolarHBondContact O-N 3.4Å; R30-L40 HydrophobicContact CB-CD1 4.02Å; R30-L40 HydrophobicContact CB-CG 4.38Å; R30-L40 HydrophobicContact CG-CD1 4.08Å; R30-L40 HydrophobicContact CG-CD2 3.81Å; R30-L40 HydrophobicContact CG-CG 4.06Å; L40-Y54 CarbonylContact O-C 3.47Å; L40-Y54 WeakPolarHBondContact O-CA 3.49Å; L40-S55 PolarHBondContact O-N 2.67Å; L40-S55 PolarHBondContact O-OG 3.04Å; L40-V58 HydrophobicContact CB-CG2 4.28Å; L40-V58 HydrophobicContact CD2-CG1 3.81Å; L40-V58 VanDerWaalsContact O-CG2 3.26Å; L40-V58 WeakPolarHBondContact O-CG2 3.31Å; L40-F62 HydrophobicContact CD1-CE2 4.37Å; L40-L75 HydrophobicContact CD1-CD2 4.31Å; L40-Y88 HydrophobicContact CD1-CD1 3.86Å; L40-Y88 HydrophobicContact CD1-CE1 3.48Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.48Å
41	G	98.3	Very high	97.2	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	167.1	-173.3	0	0	0	0	0	112.1	S27 W28 W39 E53	S27-G41 VanDerWaalsContact CA-O 3.31Å; S27-G41 WeakPolarHBondContact CA-O 3.41Å; W28-G41 PolarHBondContact N-O 2.94Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 VanDerWaalsContact CZ2-C 3.43Å; W39-G41 PolarHBondContact NE1-O 3.21Å; G41-E53 CarbonylContact C-O 3.48Å; G41-E53 WeakPolarHBondContact CA-O 3.43Å
42	F	98.6	Very high	97.3	Very high	23 Å²	23	66.4 Å²	66.4	10%	0.101	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	162.9	168.7	69.6	-106.9	0	0	0	111.8	M26 S27 W39 R44 T52 E53 L93	M26-F42 CarbonylContact O-C 3.49Å; M26-F42 WeakPolarHBondContact O-CA 3.47Å; M26-F42 WeakPolarHBondContact O-CB 3.34Å; S27-F42 WeakPolarHBondContact OG-CB 3.34Å; W39-F42 HydrophobicContact CH2-CD1 4.44Å; W39-F42 AromaticContact CZ2-CD1 3.45Å; W39-F42 HydrophobicContact CZ2-CD1 3.45Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.45Å; W39-F42 AromaticContact CZ2-CE1 3.99Å; W39-F42 HydrophobicContact CZ2-CE1 3.99Å; W39-F42 HydrophobicContact CZ2-CG 4.33Å; F42-R44 HydrophobicContact CD2-CG 4Å; F42-R44 HydrophobicContact CE2-CG 3.52Å; F42-T52 VanDerWaalsContact O-CA 3.31Å; F42-T52 WeakPolarHBondContact O-CA 3.16Å; F42-E53 HydrophobicContact CD1-CB 4.46Å; F42-E53 HydrophobicContact CE1-CB 3.87Å; F42-E53 HydrophobicContact CE1-CG 4.37Å; F42-E53 HydrophobicContact CE2-CB 4.3Å; F42-E53 HydrophobicContact CE2-CG 4.39Å; F42-E53 HydrophobicContact CZ-CB 3.77Å; F42-E53 VanDerWaalsContact CZ-CD 3.43Å; F42-E53 HydrophobicContact CZ-CG 3.85Å; F42-E53 PolarHBondContact N-O 3.13Å; F42-E53 PolarHBondContact O-N 3.47Å; F42-E53 VanDerWaalsContact O-N 3.13Å; F42-L93 HydrophobicContact CB-CD1 4.42Å
43	I	98.6	Very high	97.4	Very high	10 Å²	10	69.8 Å²	69.8	5%	0.051	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.1	166.5	-174.5	160.9	0	0	0	109.5	Y25 M26 T52 I64 R66 L73	Y25-I43 WeakPolarHBondContact CA-O 3.36Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.38Å; M26-I43 PolarHBondContact O-N 3.06Å; I43-T52 HydrophobicContact CB-CG2 3.84Å; I43-T52 HydrophobicContact CD1-CG2 3.91Å; I43-T52 HydrophobicContact CG1-CG2 3.76Å; I43-I64 HydrophobicContact CB-CG2 3.79Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; I43-R66 HydrophobicContact CD1-CG 3.89Å; I43-R66 HydrophobicContact CG1-CG 4.47Å; I43-R66 HydrophobicContact CG2-CB 4.38Å; I43-R66 HydrophobicContact CG2-CG 4.45Å; I43-L73 HydrophobicContact CG2-CD1 3.61Å
44	R	98.4	Very high	97.5	Very high	56 Å²	56	67.1 Å²	67.1	21%	0.211	38%	0.38	C	S	.	.			trans	-71.7	165.4	176.5	-58.4	-164.1	171.9	75.8	-0	111.4	Y25 F42 N48 T51 E53 R66	Y25-R44 HydrophobicContact CD1-CB 3.85Å; Y25-R44 HydrophobicContact CD1-CG 4.27Å; Y25-R44 HydrophobicContact CD2-CG 4.13Å; Y25-R44 HydrophobicContact CE1-CB 3.77Å; Y25-R44 HydrophobicContact CE1-CG 4.13Å; Y25-R44 HydrophobicContact CE2-CG 4.03Å; Y25-R44 HydrophobicContact CG-CB 4.26Å; Y25-R44 HydrophobicContact CG-CG 4.26Å; F42-R44 HydrophobicContact CD2-CG 4Å; F42-R44 HydrophobicContact CE2-CG 3.52Å; R44-N48 HydrophobicContact CB-CB 3.79Å; R44-N48 HydrophobicContact CG-CB 4.32Å; R44-T51 VanDerWaalsContact CD-OG1 3.3Å; R44-T51 WeakPolarHBondContact CD-OG1 3.3Å; R44-T51 PolarHBondContact N-O 2.9Å; R44-T51 PolarHBondContact NH1-OG1 2Å; R44-E53 IonicContact CZ-OE1 2.85Å; R44-E53 VanDerWaalsContact CZ-OE1 3.26Å; R44-E53 IonicContact NH1-OE1 2.9Å; R44-E53 PolarHBondContact NH1-OE1 3.33Å; R44-E53 IonicContact NH2-OE1 3.33Å; R44-E53 PolarHBondContact NH2-OE1 2.9Å; R44-R66 PolarHBondContact O-NH1 3.01Å
45	N	97	Very high	97.5	Very high	19 Å²	19	63.6 Å²	63.6	10%	0.102	34%	0.341	C	S	.	.			trans	-72	179.7	173.9	70.1	15.9	0	0	0	112	T22 D23 Y25 A47 N48 G49 Y50 R66	T22-N45 VanDerWaalsContact O-CB 3.27Å; T22-N45 WeakPolarHBondContact O-CB 3.32Å; D23-N45 PolarHBondContact O-ND2 2.59Å; Y25-N45 HydrophobicContact CD1-CB 4.07Å; Y25-N45 HydrophobicContact CE1-CB 4.24Å; N45-A47 VanDerWaalsContact C-N 3.31Å; N45-A47 PolarHBondContact O-N 3.21Å; N45-A47 WeakPolarHBondContact OD1-CB 2.97Å; N45-A47 PolarHBondContact OD1-N 2.91Å; N45-A47 VanDerWaalsContact OD1-N 3.11Å; N45-N48 CarbonylContact O-C 3.57Å; N45-N48 PolarHBondContact O-N 3.01Å; N45-N48 PolarHBondContact OD1-N 2.86Å; N45-N48 VanDerWaalsContact OD1-N 3.08Å; N45-N48 PolarHBondContact OD1-OD1 2.98Å; N45-G49 PolarHBondContact O-N 2.8Å; N45-Y50 PolarHBondContact O-N 2.96Å; N45-Y50 VanDerWaalsContact O-N 3.11Å; N45-R66 VanDerWaalsContact CA-NH1 3.33Å
46	K	95.7	Very high	97.6	Very high	150 Å²	150	62.1 Å²	62.1	65%	0.652	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-61.3	-39.7	179.4	-171.7	177.1	178.7	-176.6	0	112.2	N48 G49 Y50	K46-N48 PolarHBondContact O-N 3.37Å; K46-G49 PolarHBondContact O-N 2.77Å; K46-Y50 HydrophobicContact CB-CE1 3.82Å; K46-Y50 HydrophobicContact CB-CE2 4.12Å; K46-Y50 VanDerWaalsContact CB-CZ 3.5Å; K46-Y50 WeakPolarHBondContact CB-OH 3.46Å; K46-Y50 HydrophobicContact CG-CE1 4.46Å; K46-Y50 HydrophobicContact CG-CE2 3.86Å; K46-Y50 WeakPolarHBondContact CG-OH 3.31Å
47	A	96.1	Very high	97.5	Very high	91 Å²	91	60.9 Å²	60.9	75%	0.752	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-61.4	-28.3	-178.3	0	0	0	0	0	112.1	N45	N45-A47 VanDerWaalsContact C-N 3.31Å; N45-A47 PolarHBondContact O-N 3.21Å; N45-A47 WeakPolarHBondContact OD1-CB 2.97Å; N45-A47 PolarHBondContact OD1-N 2.91Å; N45-A47 VanDerWaalsContact OD1-N 3.11Å
48	N	97.1	Very high	97.4	Very high	74 Å²	74	55.8 Å²	55.8	40%	0.396	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-106.5	26.9	177.9	-58.2	95.1	0	0	0	113	Y25 R44 N45 K46 Y50 T51	Y25-N48 HydrophobicContact CE1-CB 4.26Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.38Å; Y25-N48 PolarHBondContact OH-ND2 3.11Å; Y25-N48 PolarHBondContact OH-OD1 3.5Å; R44-N48 HydrophobicContact CB-CB 3.79Å; R44-N48 HydrophobicContact CG-CB 4.32Å; N45-N48 CarbonylContact O-C 3.57Å; N45-N48 PolarHBondContact O-N 3.01Å; N45-N48 PolarHBondContact OD1-N 2.86Å; N45-N48 VanDerWaalsContact OD1-N 3.08Å; N45-N48 PolarHBondContact OD1-OD1 2.98Å; K46-N48 PolarHBondContact O-N 3.37Å; N48-Y50 VanDerWaalsContact C-N 3.33Å; N48-Y50 PolarHBondContact O-N 3.27Å; N48-T51 PolarHBondContact O-OG1 2.92Å
49	G	96.6	Very high	97.4	Very high	54 Å²	54	60.1 Å²	60.1	56%	0.557	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	19.2	166.5	0	0	0	0	0	115.4	N45 K46 T51	N45-G49 PolarHBondContact O-N 2.8Å; K46-G49 PolarHBondContact O-N 2.77Å; G49-T51 PolarHBondContact O-N 3.04Å
50	Y	97.3	Very high	97.3	Very high	95 Å²	95	59.1 Å²	59.1	37%	0.373	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	25.5	-177.8	-56.6	-62.8	0	0	0	114.6	N45 K46 N48 R66 N68	N45-Y50 PolarHBondContact O-N 2.96Å; N45-Y50 VanDerWaalsContact O-N 3.11Å; K46-Y50 HydrophobicContact CB-CE1 3.82Å; K46-Y50 HydrophobicContact CB-CE2 4.12Å; K46-Y50 VanDerWaalsContact CB-CZ 3.5Å; K46-Y50 WeakPolarHBondContact CB-OH 3.46Å; K46-Y50 HydrophobicContact CG-CE1 4.46Å; K46-Y50 HydrophobicContact CG-CE2 3.86Å; K46-Y50 WeakPolarHBondContact CG-OH 3.31Å; N48-Y50 VanDerWaalsContact C-N 3.33Å; N48-Y50 PolarHBondContact O-N 3.27Å; Y50-R66 HydrophobicContact CD1-CG 4.48Å; Y50-N68 PolarHBondContact OH-ND2 2.85Å
51	T	98.1	Very high	97.2	Very high	67 Å²	67	60 Å²	60	41%	0.411	36%	0.356	S	S	.	.			trans	-62.6	146.9	178.3	53.7	0	0	0	0	110.6	R44 N48 G49	R44-T51 VanDerWaalsContact CD-OG1 3.3Å; R44-T51 WeakPolarHBondContact CD-OG1 3.3Å; R44-T51 PolarHBondContact N-O 2.9Å; R44-T51 PolarHBondContact NH1-OG1 2Å; N48-T51 PolarHBondContact O-OG1 2.92Å; G49-T51 PolarHBondContact O-N 3.04Å
52	T	98.4	Very high	97.2	Very high	55 Å²	55	60.3 Å²	60.3	34%	0.337	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.3	-178.2	51.2	0	0	0	0	110.8	F42 I43 Y54	F42-T52 VanDerWaalsContact O-CA 3.31Å; F42-T52 WeakPolarHBondContact O-CA 3.16Å; I43-T52 HydrophobicContact CB-CG2 3.84Å; I43-T52 HydrophobicContact CD1-CG2 3.91Å; I43-T52 HydrophobicContact CG1-CG2 3.76Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.36Å
53	E	98.3	Very high	97.1	Very high	84 Å²	84	62.1 Å²	62.1	39%	0.393	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.4	170.7	-72.4	178	-143.7	0	0	109.1	W39 G41 F42 R44	W39-E53 HydrophobicContact CH2-CB 4.24Å; G41-E53 CarbonylContact C-O 3.48Å; G41-E53 WeakPolarHBondContact CA-O 3.43Å; F42-E53 HydrophobicContact CD1-CB 4.46Å; F42-E53 HydrophobicContact CE1-CB 3.87Å; F42-E53 HydrophobicContact CE1-CG 4.37Å; F42-E53 HydrophobicContact CE2-CB 4.3Å; F42-E53 HydrophobicContact CE2-CG 4.39Å; F42-E53 HydrophobicContact CZ-CB 3.77Å; F42-E53 VanDerWaalsContact CZ-CD 3.43Å; F42-E53 HydrophobicContact CZ-CG 3.85Å; F42-E53 PolarHBondContact N-O 3.13Å; F42-E53 PolarHBondContact O-N 3.47Å; F42-E53 VanDerWaalsContact O-N 3.13Å; R44-E53 IonicContact CZ-OE1 2.85Å; R44-E53 VanDerWaalsContact CZ-OE1 3.26Å; R44-E53 IonicContact NH1-OE1 2.9Å; R44-E53 PolarHBondContact NH1-OE1 3.33Å; R44-E53 IonicContact NH2-OE1 3.33Å; R44-E53 PolarHBondContact NH2-OE1 2.9Å
54	Y	98.5	Very high	97.1	Very high	52 Å²	52	62 Å²	62	20%	0.204	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.2	-174	-61	-88.6	0	0	0	109.8	L40 T52 V58 F62 I64	L40-Y54 CarbonylContact O-C 3.47Å; L40-Y54 WeakPolarHBondContact O-CA 3.49Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.36Å; Y54-V58 HydrophobicContact CD1-CG2 4.41Å; Y54-F62 VanDerWaalsContact CE1-O 3.3Å; Y54-F62 WeakPolarHBondContact CE1-O 3.36Å; Y54-I64 HydrophobicContact CD1-CD1 4.37Å; Y54-I64 HydrophobicContact CE1-CB 4.35Å; Y54-I64 HydrophobicContact CE1-CD1 3.99Å; Y54-I64 HydrophobicContact CE1-CG1 3.83Å; Y54-I64 PolarHBondContact OH-N 3.03Å
55	S	97.7	Very high	97.1	Very high	19 Å²	19	61.4 Å²	61.4	13%	0.133	37%	0.374	C	S	.	.			trans	-68.8	155.4	168.6	72.7	0	0	0	0	110.7	W39 L40 S57 V58 K59	W39-S55 WeakPolarHBondContact O-CB 3.29Å; W39-S55 PolarHBondContact O-OG 3.4Å; L40-S55 PolarHBondContact O-N 2.67Å; L40-S55 PolarHBondContact O-OG 3.04Å; S55-S57 PolarHBondContact O-N 2.95Å; S55-S57 VanDerWaalsContact O-N 3.13Å; S55-S57 PolarHBondContact OG-OG 3.13Å; S55-V58 PolarHBondContact O-N 3.03Å; S55-K59 WeakPolarHBondContact O-CB 3.13Å; S55-K59 PolarHBondContact O-N 2.99Å
56	A	96.8	Very high	97.2	Very high	102 Å²	102	62 Å²	62	84%	0.843	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.6	-177.6	0	0	0	0	0	113.1	V58	A56-V58 VanDerWaalsContact C-N 3.31Å; A56-V58 PolarHBondContact O-N 3.33Å
57	S	94.3	Very high	97.2	Very high	54 Å²	54	56.9 Å²	56.9	38%	0.378	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.9	-177.8	58.7	0	0	0	0	114	S55 R61	S55-S57 PolarHBondContact O-N 2.95Å; S55-S57 VanDerWaalsContact O-N 3.13Å; S55-S57 PolarHBondContact OG-OG 3.13Å; S57-R61 PolarHBondContact O-NH2 2.96Å
58	V	96.4	Very high	97.2	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-8.4	-174.7	-58.8	0	0	0	0	114	L40 Y54 S55 A56 G60 R61 F62	L40-V58 HydrophobicContact CB-CG2 4.28Å; L40-V58 HydrophobicContact CD2-CG1 3.81Å; L40-V58 VanDerWaalsContact O-CG2 3.26Å; L40-V58 WeakPolarHBondContact O-CG2 3.31Å; Y54-V58 HydrophobicContact CD1-CG2 4.41Å; S55-V58 PolarHBondContact O-N 3.03Å; A56-V58 VanDerWaalsContact C-N 3.31Å; A56-V58 PolarHBondContact O-N 3.33Å; V58-G60 PolarHBondContact O-N 2.97Å; V58-R61 PolarHBondContact O-N 3.02Å; V58-F62 HydrophobicContact CB-CB 4.09Å; V58-F62 HydrophobicContact CB-CD1 4.39Å; V58-F62 HydrophobicContact CB-CD2 3.52Å; V58-F62 HydrophobicContact CB-CE2 3.94Å; V58-F62 HydrophobicContact CB-CG 3.76Å; V58-F62 HydrophobicContact CG1-CD2 3.46Å; V58-F62 VanDerWaalsContact CG1-CD2 3.46Å; V58-F62 HydrophobicContact CG1-CE2 3.35Å; V58-F62 HydrophobicContact CG1-CG 4.13Å; V58-F62 HydrophobicContact CG1-CZ 3.92Å; V58-F62 HydrophobicContact CG2-CB 4.47Å; V58-F62 HydrophobicContact CG2-CD2 4.18Å; V58-F62 PolarHBondContact O-N 2.99Å
59	K	96.6	Very high	97.1	Very high	154 Å²	154	56 Å²	56	67%	0.67	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	129.5	178.6	-171.9	168.6	-175.8	174.9	0	111.1	S55 R61	S55-K59 WeakPolarHBondContact O-CB 3.13Å; S55-K59 PolarHBondContact O-N 2.99Å; K59-R61 PolarHBondContact O-N 3.36Å
60	G	96.1	Very high	97.1	Very high	81 Å²	81	58.7 Å²	58.7	84%	0.835	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-6.3	-178.1	0	0	0	0	0	115.2	V58	V58-G60 PolarHBondContact O-N 2.97Å
61	R	96.4	Very high	97.1	Very high	20 Å²	20	56 Å²	56	8%	0.075	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-40.3	176.8	-58.4	-168.6	-57.5	116.4	-0.7	111.8	S57 V58 K59 N78 T79 D84	S57-R61 PolarHBondContact O-NH2 2.96Å; V58-R61 PolarHBondContact O-N 3.02Å; K59-R61 PolarHBondContact O-N 3.36Å; R61-N78 VanDerWaalsContact O-CB 3.31Å; R61-N78 WeakPolarHBondContact O-CB 3.33Å; R61-N78 PolarHBondContact O-N 3.36Å; R61-N78 PolarHBondContact O-ND2 3.22Å; R61-T79 PolarHBondContact NH1-O 3.02Å; R61-D84 IonicContact CZ-OD1 3.26Å; R61-D84 IonicContact CZ-OD2 2.98Å; R61-D84 IonicContact NH1-OD1 2.67Å; R61-D84 IonicContact NH1-OD2 3.79Å; R61-D84 PolarHBondContact NH1-OD2 2.9Å; R61-D84 IonicContact NH2-OD1 2.95Å; R61-D84 PolarHBondContact NH2-OD1 3.49Å; R61-D84 IonicContact NH2-OD2 3.74Å; R61-D84 PolarHBondContact NH2-OD2 2.81Å
62	F	97.3	Very high	97.1	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.022	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	149.3	-177	-62.9	5	0	0	0	111.2	L40 Y54 V58 L75 Q76 M77 L80 D84 Y88	L40-F62 HydrophobicContact CD1-CE2 4.37Å; Y54-F62 VanDerWaalsContact CE1-O 3.3Å; Y54-F62 WeakPolarHBondContact CE1-O 3.36Å; V58-F62 HydrophobicContact CB-CB 4.09Å; V58-F62 HydrophobicContact CB-CD1 4.39Å; V58-F62 HydrophobicContact CB-CD2 3.52Å; V58-F62 HydrophobicContact CB-CE2 3.94Å; V58-F62 HydrophobicContact CB-CG 3.76Å; V58-F62 HydrophobicContact CG1-CD2 3.46Å; V58-F62 VanDerWaalsContact CG1-CD2 3.46Å; V58-F62 HydrophobicContact CG1-CE2 3.35Å; V58-F62 HydrophobicContact CG1-CG 4.13Å; V58-F62 HydrophobicContact CG1-CZ 3.92Å; V58-F62 HydrophobicContact CG2-CB 4.47Å; V58-F62 HydrophobicContact CG2-CD2 4.18Å; V58-F62 PolarHBondContact O-N 2.99Å; F62-L75 HydrophobicContact CB-CD1 4.06Å; F62-L75 HydrophobicContact CD2-CD1 4.2Å; F62-L75 HydrophobicContact CD2-CD2 4.1Å; F62-L75 HydrophobicContact CD2-CG 4.36Å; F62-L75 HydrophobicContact CE2-CD2 4.47Å; F62-Q76 CarbonylContact C-O 3.59Å; F62-Q76 WeakPolarHBondContact CA-O 3.41Å; F62-M77 HydrophobicContact CD1-CB 3.85Å; F62-M77 HydrophobicContact CD1-CG 4.14Å; F62-M77 HydrophobicContact CD2-CE 4.42Å; F62-M77 HydrophobicContact CD2-CG 4.13Å; F62-M77 HydrophobicContact CE1-CB 3.77Å; F62-M77 HydrophobicContact CE1-CE 4.1Å; F62-M77 HydrophobicContact CE1-CG 4.15Å; F62-M77 HydrophobicContact CE2-CE 3.52Å; F62-M77 HydrophobicContact CE2-CG 4.11Å; F62-M77 HydrophobicContact CG-CB 4.37Å; F62-M77 HydrophobicContact CG-CG 4.18Å; F62-M77 HydrophobicContact CZ-CB 4.19Å; F62-M77 HydrophobicContact CZ-CE 3.35Å; F62-M77 HydrophobicContact CZ-CG 4.15Å; F62-L80 HydrophobicContact CE1-CD2 4.27Å; F62-L80 HydrophobicContact CZ-CD2 4.32Å; F62-D84 HydrophobicContact CZ-CB 4.22Å; F62-Y88 HydrophobicContact CE2-CE1 4.42Å
63	T	98.2	Very high	97.1	Very high	62 Å²	62	51.5 Å²	51.5	38%	0.38	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123	176.9	-52.1	0	0	0	0	109.3	Q76	T63-Q76 PolarHBondContact N-O 2.82Å; T63-Q76 PolarHBondContact O-N 2.81Å
64	I	98.4	Very high	97.1	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.6	174.3	-60.8	169.1	0	0	0	108.5	I43 Y54 L73 Y74 L75	I43-I64 HydrophobicContact CB-CG2 3.79Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; Y54-I64 HydrophobicContact CD1-CD1 4.37Å; Y54-I64 HydrophobicContact CE1-CB 4.35Å; Y54-I64 HydrophobicContact CE1-CD1 3.99Å; Y54-I64 HydrophobicContact CE1-CG1 3.83Å; Y54-I64 PolarHBondContact OH-N 3.03Å; I64-L73 HydrophobicContact CG2-CD1 3.84Å; I64-Y74 WeakPolarHBondContact CA-O 3.45Å; I64-L75 HydrophobicContact CD1-CD1 4.47Å; I64-L75 HydrophobicContact CG1-CD1 3.6Å
65	S	98.2	Very high	97.1	Very high	45 Å²	45	46.9 Å²	46.9	32%	0.315	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.1	172.4	62	0	0	0	0	110.6	Y74	S65-Y74 PolarHBondContact N-O 3.37Å; S65-Y74 VanDerWaalsContact N-O 3.13Å; S65-Y74 PolarHBondContact O-N 2.9Å
66	R	97.7	Very high	97.1	Very high	32 Å²	32	49 Å²	49	12%	0.121	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.1	-176.3	62.1	-173.5	-72.5	164.6	6.4	111.1	F21 Y24 I43 R44 N45 Y50 N68 I72 L73	F21-R66 HydrophobicContact CE1-CB 4.09Å; F21-R66 HydrophobicContact CZ-CB 4.04Å; F21-R66 PolarHBondContact O-NH2 2.86Å; Y24-R66 PolarHBondContact O-NH1 3.16Å; I43-R66 HydrophobicContact CD1-CG 3.89Å; I43-R66 HydrophobicContact CG1-CG 4.47Å; I43-R66 HydrophobicContact CG2-CB 4.38Å; I43-R66 HydrophobicContact CG2-CG 4.45Å; R44-R66 PolarHBondContact O-NH1 3.01Å; N45-R66 VanDerWaalsContact CA-NH1 3.33Å; Y50-R66 HydrophobicContact CD1-CG 4.48Å; R66-N68 VanDerWaalsContact CZ-OD1 3.28Å; R66-N68 PolarHBondContact NE-OD1 3.23Å; R66-N68 PolarHBondContact NH2-OD1 2.95Å; R66-I72 WeakPolarHBondContact CA-O 3.5Å; R66-L73 HydrophobicContact CB-CD1 4.2Å
67	D	96.9	Very high	97	Very high	42 Å²	42	44.2 Å²	44.2	23%	0.225	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	106.3	169	-176.4	-15.7	0	0	0	108.9	S69 Q70 S71 I72 Y74	D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 WeakPolarHBondContact OD1-CB 3.47Å; D67-S69 PolarHBondContact OD1-N 2.71Å; D67-S69 PolarHBondContact OD1-OG 3.25Å; D67-Q70 HydrophobicContact CB-CB 4.46Å; D67-Q70 PolarHBondContact O-N 2.87Å; D67-Q70 PolarHBondContact OD1-N 3.13Å; D67-Q70 VanDerWaalsContact OD2-CD 3.29Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.39Å; D67-Q70 PolarHBondContact OD2-OE1 2.77Å; D67-S71 WeakPolarHBondContact O-CA 3.44Å; D67-S71 PolarHBondContact O-N 2.86Å; D67-I72 PolarHBondContact N-O 3.01Å; D67-I72 PolarHBondContact O-N 2.97Å; D67-Y74 HydrophobicContact CB-CE2 3.89Å
68	N	95.8	Very high	97	Very high	42 Å²	42	43.9 Å²	43.9	23%	0.225	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.2	-178.6	-70.6	-15.7	0	0	0	113.1	F21 T22 Y50 R66 Q70	F21-N68 WeakPolarHBondContact CD1-OD1 3.31Å; F21-N68 VanDerWaalsContact CE1-OD1 3.25Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.35Å; T22-N68 HydrophobicContact CG2-CB 3.86Å; Y50-N68 PolarHBondContact OH-ND2 2.85Å; R66-N68 VanDerWaalsContact CZ-OD1 3.28Å; R66-N68 PolarHBondContact NE-OD1 3.23Å; R66-N68 PolarHBondContact NH2-OD1 2.95Å; N68-Q70 VanDerWaalsContact C-N 3.25Å; N68-Q70 PolarHBondContact O-N 2.79Å
69	S	95.2	Very high	96.8	Very high	105 Å²	105	48 Å²	48	73%	0.734	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-28.4	178.5	71.7	0	0	0	0	111.7	D67	D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 WeakPolarHBondContact OD1-CB 3.47Å; D67-S69 PolarHBondContact OD1-N 2.71Å; D67-S69 PolarHBondContact OD1-OG 3.25Å
70	Q	96.4	Very high	96.6	Very high	110 Å²	110	41.4 Å²	41.4	51%	0.514	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-6.1	-178.9	-59	-176.5	-4.8	0	0	113.2	D67 N68 I72	D67-Q70 HydrophobicContact CB-CB 4.46Å; D67-Q70 PolarHBondContact O-N 2.87Å; D67-Q70 PolarHBondContact OD1-N 3.13Å; D67-Q70 VanDerWaalsContact OD2-CD 3.29Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.39Å; D67-Q70 PolarHBondContact OD2-OE1 2.77Å; N68-Q70 VanDerWaalsContact C-N 3.25Å; N68-Q70 PolarHBondContact O-N 2.79Å; Q70-I72 HydrophobicContact CB-CB 4.39Å; Q70-I72 HydrophobicContact CB-CD1 3.83Å; Q70-I72 HydrophobicContact CB-CG1 3.77Å; Q70-I72 WeakPolarHBondContact O-CG1 3.27Å; Q70-I72 PolarHBondContact O-N 2.77Å
71	S	97	Very high	96.5	Very high	37 Å²	37	43.4 Å²	43.4	26%	0.259	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	41.5	-170.9	-56.8	0	0	0	0	112.9	T16 D67	T16-S71 PolarHBondContact N-O 2.79Å; T16-S71 PolarHBondContact OG1-O 2.85Å; D67-S71 WeakPolarHBondContact O-CA 3.44Å; D67-S71 PolarHBondContact O-N 2.86Å
72	I	98.1	Very high	96.2	Very high	28 Å²	28	46.1 Å²	46.1	14%	0.144	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.3	-178.2	-58.6	-178.4	0	0	0	111	C14 A15 R66 D67 Q70 Y74	C14-I72 CarbonylContact O-C 3.58Å; C14-I72 VanDerWaalsContact O-CA 3.31Å; C14-I72 WeakPolarHBondContact O-CA 3.21Å; A15-I72 HydrophobicContact CB-CG1 4.17Å; R66-I72 WeakPolarHBondContact CA-O 3.5Å; D67-I72 PolarHBondContact N-O 3.01Å; D67-I72 PolarHBondContact O-N 2.97Å; Q70-I72 HydrophobicContact CB-CB 4.39Å; Q70-I72 HydrophobicContact CB-CD1 3.83Å; Q70-I72 HydrophobicContact CB-CG1 3.77Å; Q70-I72 WeakPolarHBondContact O-CG1 3.27Å; Q70-I72 PolarHBondContact O-N 2.77Å; I72-Y74 HydrophobicContact CB-CE2 4.11Å; I72-Y74 HydrophobicContact CG2-CD1 4.09Å; I72-Y74 HydrophobicContact CG2-CD2 4.23Å; I72-Y74 HydrophobicContact CG2-CE1 3.6Å; I72-Y74 HydrophobicContact CG2-CE2 3.74Å; I72-Y74 HydrophobicContact CG2-CG 4.39Å
73	L	98.4	Very high	96	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.1	167.2	-171.3	69.6	0	0	0	110	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.57Å; S13-L73 WeakPolarHBondContact CA-O 3.36Å; C14-L73 HydrophobicContact CB-CB 4.43Å; C14-L73 PolarHBondContact N-O 3Å; C14-L73 PolarHBondContact O-N 3.11Å; F21-L73 HydrophobicContact CZ-CB 4.44Å; M26-L73 HydrophobicContact CB-CD1 3.54Å; M26-L73 HydrophobicContact CB-CD2 3.84Å; M26-L73 HydrophobicContact CB-CG 4.22Å; M26-L73 HydrophobicContact CG-CD1 4.35Å; W28-L73 HydrophobicContact CD2-CD2 4.27Å; W28-L73 HydrophobicContact CG-CD2 4.26Å; W28-L73 HydrophobicContact CZ2-CD2 4.21Å; W28-L73 HydrophobicContact CZ2-CG 4.25Å; I43-L73 HydrophobicContact CG2-CD1 3.61Å; I64-L73 HydrophobicContact CG2-CD1 3.84Å; R66-L73 HydrophobicContact CB-CD1 4.2Å; L73-C90 HydrophobicContact CD2-CB 3.96Å
74	Y	98.4	Very high	95.8	Very high	37 Å²	37	49.6 Å²	49.6	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.3	176.8	-60.9	-78.5	0	0	0	111.4	R11 L12 W28 I64 S65 D67 I72	R11-Y74 HydrophobicContact CG-CD1 4.44Å; R11-Y74 VanDerWaalsContact NE-CD1 3.33Å; R11-Y74 VanDerWaalsContact NH2-CD2 3.32Å; L12-Y74 VanDerWaalsContact O-CA 3.27Å; L12-Y74 WeakPolarHBondContact O-CA 3.46Å; W28-Y74 PolarHBondContact NE1-O 3.08Å; I64-Y74 WeakPolarHBondContact CA-O 3.45Å; S65-Y74 PolarHBondContact N-O 3.37Å; S65-Y74 VanDerWaalsContact N-O 3.13Å; S65-Y74 PolarHBondContact O-N 2.9Å; D67-Y74 HydrophobicContact CB-CE2 3.89Å; I72-Y74 HydrophobicContact CB-CE2 4.11Å; I72-Y74 HydrophobicContact CG2-CD1 4.09Å; I72-Y74 HydrophobicContact CG2-CD2 4.23Å; I72-Y74 HydrophobicContact CG2-CE1 3.6Å; I72-Y74 HydrophobicContact CG2-CE2 3.74Å; I72-Y74 HydrophobicContact CG2-CG 4.39Å
75	L	98.4	Very high	95.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108	165.2	-172.6	67.1	0	0	0	108.1	R11 L12 W28 L40 F62 I64 M77 Y88	R11-L75 WeakPolarHBondContact CA-O 3.19Å; L12-L75 HydrophobicContact CB-CB 4.27Å; L12-L75 HydrophobicContact CD1-CD2 4.4Å; L12-L75 PolarHBondContact N-O 2.98Å; L12-L75 PolarHBondContact O-N 2.91Å; W28-L75 HydrophobicContact CB-CD2 4.44Å; W28-L75 HydrophobicContact CD2-CB 3.87Å; W28-L75 HydrophobicContact CD2-CD2 4.12Å; W28-L75 HydrophobicContact CD2-CG 4.46Å; W28-L75 HydrophobicContact CE3-CD2 4.37Å; W28-L75 HydrophobicContact CG-CB 4.17Å; W28-L75 HydrophobicContact CG-CD1 4.15Å; W28-L75 HydrophobicContact CG-CD2 4.15Å; W28-L75 HydrophobicContact CG-CG 4.4Å; W28-L75 HydrophobicContact CZ2-CB 3.86Å; L40-L75 HydrophobicContact CD1-CD2 4.31Å; F62-L75 HydrophobicContact CB-CD1 4.06Å; F62-L75 HydrophobicContact CD2-CD1 4.2Å; F62-L75 HydrophobicContact CD2-CD2 4.1Å; F62-L75 HydrophobicContact CD2-CG 4.36Å; F62-L75 HydrophobicContact CE2-CD2 4.47Å; I64-L75 HydrophobicContact CD1-CD1 4.47Å; I64-L75 HydrophobicContact CG1-CD1 3.6Å; L75-M77 HydrophobicContact CD2-CG 3.86Å; L75-M77 HydrophobicContact CD2-SD 4.03Å; L75-M77 HydrophobicContact CG-CG 3.77Å; L75-M77 HydrophobicContact CG-SD 4.5Å; L75-Y88 HydrophobicContact CD2-CD1 3.88Å; L75-Y88 HydrophobicContact CD2-CE1 3.99Å
76	Q	97.4	Very high	95.5	Very high	63 Å²	63	52.5 Å²	52.5	29%	0.294	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.6	168.7	-173.9	175.4	-31.7	0	0	108.5	F9 F62 T63 N78	F9-Q76 HydrophobicContact CD2-CG 4.28Å; F9-Q76 HydrophobicContact CE2-CG 3.26Å; F9-Q76 HydrophobicContact CZ-CG 3.79Å; F62-Q76 CarbonylContact C-O 3.59Å; F62-Q76 WeakPolarHBondContact CA-O 3.41Å; T63-Q76 PolarHBondContact N-O 2.82Å; T63-Q76 PolarHBondContact O-N 2.81Å; Q76-N78 PolarHBondContact NE2-OD1 2.98Å; Q76-N78 VanDerWaalsContact NE2-OD1 3.11Å
77	M	96.1	Very high	95.4	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.015	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	106.4	-176.6	-54.5	169.2	75.5	0	0	108.5	F9 L10 L12 F62 L75 L80 D84 Y88	F9-M77 WeakPolarHBondContact CA-O 3.3Å; L10-M77 HydrophobicContact CD2-SD 4.43Å; L10-M77 PolarHBondContact N-O 3.31Å; L10-M77 WeakPolarHBondContact O-CA 3.49Å; L10-M77 WeakPolarHBondContact O-CB 3.2Å; L10-M77 PolarHBondContact O-N 3.27Å; L12-M77 HydrophobicContact CD1-SD 3.83Å; L12-M77 HydrophobicContact CG-SD 4Å; F62-M77 HydrophobicContact CD1-CB 3.85Å; F62-M77 HydrophobicContact CD1-CG 4.14Å; F62-M77 HydrophobicContact CD2-CE 4.42Å; F62-M77 HydrophobicContact CD2-CG 4.13Å; F62-M77 HydrophobicContact CE1-CB 3.77Å; F62-M77 HydrophobicContact CE1-CE 4.1Å; F62-M77 HydrophobicContact CE1-CG 4.15Å; F62-M77 HydrophobicContact CE2-CE 3.52Å; F62-M77 HydrophobicContact CE2-CG 4.11Å; F62-M77 HydrophobicContact CG-CB 4.37Å; F62-M77 HydrophobicContact CG-CG 4.18Å; F62-M77 HydrophobicContact CZ-CB 4.19Å; F62-M77 HydrophobicContact CZ-CE 3.35Å; F62-M77 HydrophobicContact CZ-CG 4.15Å; L75-M77 HydrophobicContact CD2-CG 3.86Å; L75-M77 HydrophobicContact CD2-SD 4.03Å; L75-M77 HydrophobicContact CG-CG 3.77Å; L75-M77 HydrophobicContact CG-SD 4.5Å; M77-L80 HydrophobicContact CB-CD2 3.76Å; M77-L80 HydrophobicContact CB-CG 4.25Å; M77-L80 HydrophobicContact CE-CD2 3.47Å; M77-L80 VanDerWaalsContact CE-CD2 3.47Å; M77-L80 HydrophobicContact SD-CD2 4.31Å; M77-D84 HydrophobicContact CE-CB 4.45Å; M77-Y88 HydrophobicContact CE-CE1 3.58Å; M77-Y88 HydrophobicContact CE-CE2 4.07Å; M77-Y88 WeakPolarHBondContact CE-OH 3.4Å; M77-Y88 HydrophobicContact SD-CE1 4.28Å
78	N	94.1	Very high	95.5	Very high	47 Å²	47	54.7 Å²	54.7	25%	0.251	31%	0.306	S	S	.	.			trans	-100.8	154.1	176.2	-44.9	-69.5	0	0	0	109.9	F9 R61 Q76 L80	F9-N78 WeakPolarHBondContact CD2-OD1 3.41Å; F9-N78 WeakPolarHBondContact CE2-OD1 3.41Å; R61-N78 VanDerWaalsContact O-CB 3.31Å; R61-N78 WeakPolarHBondContact O-CB 3.33Å; R61-N78 PolarHBondContact O-N 3.36Å; R61-N78 PolarHBondContact O-ND2 3.22Å; Q76-N78 PolarHBondContact NE2-OD1 2.98Å; Q76-N78 VanDerWaalsContact NE2-OD1 3.11Å; N78-L80 PolarHBondContact O-N 3.06Å
79	T	92.1	Very high	95.5	Very high	86 Å²	86	57.4 Å²	57.4	53%	0.528	31%	0.314	S	S	.	.	S	Bend	trans	52.4	54.3	175.5	-41.8	0	0	0	0	111.5	G8 R61	G8-T79 PolarHBondContact O-N 3.06Å; R61-T79 PolarHBondContact NH1-O 3.02Å
80	L	92.9	Very high	95.6	Very high	16 Å²	16	54.4 Å²	54.4	8%	0.084	29%	0.293	C	S	.	.			trans	-61.1	140.4	-178.9	-77.6	168.3	0	0	0	111.8	V4 G7 G8 L10 F62 M77 N78 D84	V4-L80 HydrophobicContact CB-CD1 4.39Å; V4-L80 HydrophobicContact CG2-CD1 3.3Å; G7-L80 PolarHBondContact N-O 3.31Å; G8-L80 PolarHBondContact O-N 3.28Å; L10-L80 HydrophobicContact CB-CD1 3.78Å; F62-L80 HydrophobicContact CE1-CD2 4.27Å; F62-L80 HydrophobicContact CZ-CD2 4.32Å; M77-L80 HydrophobicContact CB-CD2 3.76Å; M77-L80 HydrophobicContact CB-CG 4.25Å; M77-L80 HydrophobicContact CE-CD2 3.47Å; M77-L80 VanDerWaalsContact CE-CD2 3.47Å; M77-L80 HydrophobicContact SD-CD2 4.31Å; N78-L80 PolarHBondContact O-N 3.06Å; L80-D84 HydrophobicContact CD2-CB 3.98Å
81	R	93	Very high	95.6	Very high	123 Å²	123	51.1 Å²	51.1	46%	0.464	28%	0.284	S	S	.	.			trans	-114.7	161	176.2	-59.6	176.8	-176.5	176.5	-0.9	109.4	E83 D84	R81-E83 PolarHBondContact O-N 3Å; R81-D84 PolarHBondContact N-OD2 3.24Å; R81-D84 WeakPolarHBondContact O-CB 3.31Å; R81-D84 PolarHBondContact O-N 3.39Å
82	A	91	Very high	95.5	Very high	78 Å²	78	52 Å²	52	65%	0.645	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-57.4	-34.6	174.7	0	0	0	0	0	111.8	D84 S85	A82-D84 PolarHBondContact O-N 3.03Å; A82-S85 VanDerWaalsContact O-CB 3.32Å; A82-S85 WeakPolarHBondContact O-CB 3.4Å; A82-S85 PolarHBondContact O-N 2.83Å; A82-S85 VanDerWaalsContact O-N 3.11Å
83	E	91.4	Very high	94.9	Very high	133 Å²	133	57 Å²	57	62%	0.621	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-62.9	-18.2	175.7	-59.3	134.2	-129.2	0	0	114	R81 S85	R81-E83 PolarHBondContact O-N 3Å; E83-S85 PolarHBondContact O-N 3.43Å
84	D	94.2	Very high	94.8	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.032	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-83.6	-1.3	177.5	-58.5	-46.2	0	0	0	112.3	R30 R61 F62 M77 L80 R81 A82 A86 Y88	R30-D84 IonicContact NH1-OD1 2.89Å; R30-D84 PolarHBondContact NH1-OD1 2.99Å; R61-D84 IonicContact CZ-OD1 3.26Å; R61-D84 IonicContact CZ-OD2 2.98Å; R61-D84 IonicContact NH1-OD1 2.67Å; R61-D84 IonicContact NH1-OD2 3.79Å; R61-D84 PolarHBondContact NH1-OD2 2.9Å; R61-D84 IonicContact NH2-OD1 2.95Å; R61-D84 PolarHBondContact NH2-OD1 3.49Å; R61-D84 IonicContact NH2-OD2 3.74Å; R61-D84 PolarHBondContact NH2-OD2 2.81Å; F62-D84 HydrophobicContact CZ-CB 4.22Å; M77-D84 HydrophobicContact CE-CB 4.45Å; L80-D84 HydrophobicContact CD2-CB 3.98Å; R81-D84 PolarHBondContact N-OD2 3.24Å; R81-D84 WeakPolarHBondContact O-CB 3.31Å; R81-D84 PolarHBondContact O-N 3.39Å; A82-D84 PolarHBondContact O-N 3.03Å; D84-A86 PolarHBondContact O-N 3.11Å; D84-A86 VanDerWaalsContact O-N 3.16Å; D84-Y88 WeakPolarHBondContact O-CE2 3.27Å; D84-Y88 PolarHBondContact O-OH 3.27Å
85	S	94.4	Very high	94.6	Very high	89 Å²	89	61.1 Å²	61.1	62%	0.622	34%	0.342	S	S	*	.			trans	-69.9	109	173.8	-169.1	0	0	0	0	110.7	A82 E83	A82-S85 VanDerWaalsContact O-CB 3.32Å; A82-S85 WeakPolarHBondContact O-CB 3.4Å; A82-S85 PolarHBondContact O-N 2.83Å; A82-S85 VanDerWaalsContact O-N 3.11Å; E83-S85 PolarHBondContact O-N 3.43Å
86	A	95.9	Very high	94.4	Very high	24 Å²	24	64.3 Å²	64.3	20%	0.198	36%	0.36	C	S	.	.	S	Bend	trans	-162	167.4	-175.4	0	0	0	0	0	110.5	R30 Q31 P32 D84 Y88	R30-A86 HydrophobicContact CB-CB 3.88Å; R30-A86 HydrophobicContact CG-CB 4.26Å; Q31-A86 WeakPolarHBondContact O-CB 3.02Å; P32-A86 HydrophobicContact CG-CB 4.44Å; D84-A86 PolarHBondContact O-N 3.11Å; D84-A86 VanDerWaalsContact O-N 3.16Å; A86-Y88 HydrophobicContact CB-CD2 4.46Å; A86-Y88 HydrophobicContact CB-CE2 3.93Å; A86-Y88 WeakPolarHBondContact O-CD2 3.2Å; A86-Y88 WeakPolarHBondContact O-CE2 3.47Å
87	T	97	Very high	94.2	Very high	77 Å²	77	64.4 Å²	64.4	47%	0.472	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.2	162.2	-52.8	0	0	0	0	108.8	R30 Q31 Y89	R30-T87 CarbonylContact C-O 3.45Å; R30-T87 WeakPolarHBondContact CA-O 3.44Å; Q31-T87 PolarHBondContact N-O 3.43Å; Q31-T87 PolarHBondContact O-N 3.33Å; T87-Y89 HydrophobicContact CG2-CE1 3.77Å; T87-Y89 HydrophobicContact CG2-CE2 3.81Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.48Å
88	Y	97.4	Very high	94.1	Very high	42 Å²	42	68.3 Å²	68.3	17%	0.165	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.1	-177.8	-73.3	-103.1	0	0	0	110.5	L12 R30 L40 F62 L75 M77 D84 A86	L12-Y88 HydrophobicContact CD1-CD1 3.87Å; L12-Y88 HydrophobicContact CD1-CD2 4.03Å; L12-Y88 HydrophobicContact CD1-CG 3.57Å; R30-Y88 HydrophobicContact CB-CD1 4.01Å; R30-Y88 HydrophobicContact CB-CE1 3.93Å; R30-Y88 HydrophobicContact CB-CG 4.35Å; L40-Y88 HydrophobicContact CD1-CD1 3.86Å; L40-Y88 HydrophobicContact CD1-CE1 3.48Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.48Å; F62-Y88 HydrophobicContact CE2-CE1 4.42Å; L75-Y88 HydrophobicContact CD2-CD1 3.88Å; L75-Y88 HydrophobicContact CD2-CE1 3.99Å; M77-Y88 HydrophobicContact CE-CE1 3.58Å; M77-Y88 HydrophobicContact CE-CE2 4.07Å; M77-Y88 WeakPolarHBondContact CE-OH 3.4Å; M77-Y88 HydrophobicContact SD-CE1 4.28Å; D84-Y88 WeakPolarHBondContact O-CE2 3.27Å; D84-Y88 PolarHBondContact O-OH 3.27Å; A86-Y88 HydrophobicContact CB-CD2 4.46Å; A86-Y88 HydrophobicContact CB-CE2 3.93Å; A86-Y88 WeakPolarHBondContact O-CD2 3.2Å; A86-Y88 WeakPolarHBondContact O-CE2 3.47Å
89	Y	97.3	Very high	94.1	Very high	99 Å²	99	69.7 Å²	69.7	39%	0.388	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.4	-178.7	-52	-83.1	0	0	0	109.9	W28 V29 Q31 L37 T87	W28-Y89 WeakPolarHBondContact CA-O 3.25Å; W28-Y89 VanDerWaalsContact CE3-O 3.32Å; V29-Y89 PolarHBondContact N-O 3.28Å; V29-Y89 PolarHBondContact O-N 3.11Å; Q31-Y89 HydrophobicContact CB-CE2 3.84Å; Q31-Y89 PolarHBondContact OE1-OH 3.07Å; L37-Y89 HydrophobicContact CD2-CD2 3.93Å; L37-Y89 HydrophobicContact CD2-CE2 3.92Å; T87-Y89 HydrophobicContact CG2-CE1 3.77Å; T87-Y89 HydrophobicContact CG2-CE2 3.81Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.48Å
90	C	96.8	Very high	94.2	Very high	43 Å²	43	68.5 Å²	68.5	29%	0.291	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	147.9	167.1	49.3	0	0	0	0	109.2	C14 S27 W28 L73	C14-C90 HydrophobicContact CB-CB 3.49Å; C14-C90 VanDerWaalsContact CB-CB 3.49Å; C14-C90 WeakPolarHBondContact CB-SG 3.34Å; C14-C90 WeakPolarHBondContact SG-CB 3.36Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 3.48Å; S27-C90 CarbonylContact O-C 3.58Å; S27-C90 VanDerWaalsContact O-CA 3.27Å; S27-C90 WeakPolarHBondContact O-CA 3.41Å; W28-C90 HydrophobicContact CZ3-CB 4.47Å; L73-C90 HydrophobicContact CD2-CB 3.96Å
91	A	96.4	Very high	94.3	Very high	41 Å²	41	72.5 Å²	72.5	34%	0.339	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.2	176.8	0	0	0	0	0	110.8	M26 S27	M26-A91 WeakPolarHBondContact CA-O 3.18Å; S27-A91 PolarHBondContact N-O 2.64Å; S27-A91 PolarHBondContact O-N 3.31Å
92	S	94.4	Very high	94.4	Very high	54 Å²	54	68.3 Å²	68.3	38%	0.378	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	141	166.4	54.4	0	0	0	0	110	Y25	Y25-S92 WeakPolarHBondContact O-CA 3.44Å
93	L	86.6	Confident	94.7	Very high	134 Å²	134	67.5 Å²	67.5	70%	0.702	38%	0.383	S	S	*	.			trans	-114	0	172.2	-65.2	170.6	0	0	0	110.3	Y24 Y25 S27 F42	Y24-L93 VanDerWaalsContact CD1-O 3.29Å; Y24-L93 WeakPolarHBondContact CD1-O 3.11Å; Y25-L93 PolarHBondContact N-O 3.49Å; Y25-L93 PolarHBondContact O-N 2.87Å; S27-L93 WeakPolarHBondContact OG-CD1 3.42Å; F42-L93 HydrophobicContact CB-CD1 4.42Å

Retrieved 93 of 93 residues in 40.1 ms (Link to these results)

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