X5J4J9_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4J9, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 94 aa.

						>X5J4J9_MOUSE|X5J4J9|Ighv7-3
GGLVQPGGSLSLSCAASGFTFTDYYMSWVRQPPGKALEWLGFIRNKANGYTTEYSASVKGRFTISRDNSQSILYLQMNTLRAEDSATYYCARLW
					

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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	59.7	Low	83.7	Confident	113 Å²	113	81.5 Å²	81.5	100%	1.165	56%	0.564	S	S	*	*				0	149.4	0	0	0	0	0	0	109
2	G	74	Confident	84.9	Confident	48 Å²	48	76.6 Å²	76.6	50%	0.495	53%	0.527	S	S	.	.			trans	-115.2	158.8	-179.7	0	0	0	0	0	112
3	L	77.9	Confident	85.9	Confident	179 Å²	179	77.2 Å²	77.2	94%	0.937	53%	0.532	S	S	*	.			trans	-77.3	125.8	172.3	-172.2	132.3	0	0	0	109.1
4	V	83.4	Confident	86.7	Confident	57 Å²	57	72.9 Å²	72.9	35%	0.345	50%	0.502	S	S	.	.			trans	-128.4	142.6	-179	-175	0	0	0	0	108.8	L10 L80	V4-L10 HydrophobicContact CG2-CB 4.06Å; V4-L10 HydrophobicContact CG2-CD1 4.18Å; V4-L10 HydrophobicContact CG2-CD2 4.32Å; V4-L10 HydrophobicContact CG2-CG 4.42Å; V4-L80 HydrophobicContact CB-CD1 4.28Å; V4-L80 HydrophobicContact CG1-CD1 4.36Å
5	Q	82.6	Confident	87.4	Confident	158 Å²	158	73.4 Å²	73.4	74%	0.738	51%	0.513	S	S	*	.			trans	-67.9	151.2	175.3	-67.4	-168.4	-3.8	0	0	111.2	G8	Q5-G8 PolarHBondContact O-N 3.46Å
6	P	82.4	Confident	88	Confident	103 Å²	103	70.1 Å²	70.1	67%	0.669	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	141.4	171.3	-25.5	34.6	0	0	0	112	G8	P6-G8 PolarHBondContact O-N 3.04Å
7	G	85.3	Confident	88.4	Confident	51 Å²	51	72.4 Å²	72.4	53%	0.526	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-15.5	-174.4	0	0	0	0	0	114.4	L80	G7-L80 PolarHBondContact N-O 3.05Å
8	G	91.2	Very high	88.8	Confident	24 Å²	24	73 Å²	73	25%	0.247	53%	0.527	C	S	.	.			trans	-72.5	178.1	175.8	0	0	0	0	0	114	Q5 P6 T79 L80	Q5-G8 PolarHBondContact O-N 3.46Å; P6-G8 PolarHBondContact O-N 3.04Å; G8-T79 PolarHBondContact O-N 3.5Å; G8-L80 WeakPolarHBondContact O-CB 3.47Å; G8-L80 PolarHBondContact O-N 2.8Å
9	S	93.8	Very high	89	Confident	64 Å²	64	71.8 Å²	71.8	45%	0.448	51%	0.511	S	S	.	.			trans	-122	148.6	175	-62.8	0	0	0	0	111	M77 N78	S9-M77 CarbonylContact C-O 3.53Å; S9-M77 WeakPolarHBondContact CA-O 3.5Å; S9-M77 WeakPolarHBondContact CB-O 3.26Å; S9-N78 WeakPolarHBondContact OG-CA 3.35Å; S9-N78 PolarHBondContact OG-OD1 2.96Å; S9-N78 VanDerWaalsContact OG-OD1 3.07Å
10	L	94.5	Very high	89.4	Confident	38 Å²	38	72.3 Å²	72.3	20%	0.199	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.2	174.2	-179.9	63.3	0	0	0	109.2	V4 L12 M77 L80	V4-L10 HydrophobicContact CG2-CB 4.06Å; V4-L10 HydrophobicContact CG2-CD1 4.18Å; V4-L10 HydrophobicContact CG2-CD2 4.32Å; V4-L10 HydrophobicContact CG2-CG 4.42Å; L10-L12 HydrophobicContact CD2-CD2 3.75Å; L10-L12 HydrophobicContact CG-CD2 4.14Å; L10-M77 HydrophobicContact CB-CE 3.83Å; L10-M77 HydrophobicContact CD2-CE 3.8Å; L10-M77 HydrophobicContact CG-CE 4.11Å; L10-M77 PolarHBondContact N-O 3.17Å; L10-M77 WeakPolarHBondContact O-CB 3.27Å; L10-M77 PolarHBondContact O-N 3.26Å; L10-L80 HydrophobicContact CB-CD1 3.92Å
11	S	96.1	Very high	89.7	Confident	62 Å²	62	69 Å²	69	43%	0.434	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.1	168.3	-160.9	0	0	0	0	109.7	L75 Q76	S11-L75 WeakPolarHBondContact CA-O 3.32Å; S11-Q76 VanDerWaalsContact CB-OE1 3.27Å; S11-Q76 PolarHBondContact OG-OE1 3.43Å
12	L	97.4	Very high	91.4	Very high	22 Å²	22	66.4 Å²	66.4	12%	0.115	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	144.1	168.8	-55.5	-179.3	0	0	0	109.2	L10 W28 Y74 L75 M77 Y88	L10-L12 HydrophobicContact CD2-CD2 3.75Å; L10-L12 HydrophobicContact CG-CD2 4.14Å; L12-W28 HydrophobicContact CB-CH2 3.84Å; L12-W28 HydrophobicContact CB-CZ2 4.34Å; L12-W28 HydrophobicContact CB-CZ3 4.35Å; L12-W28 HydrophobicContact CD1-CZ3 4.34Å; L12-Y74 CarbonylContact O-C 3.6Å; L12-Y74 VanDerWaalsContact O-CA 3.26Å; L12-Y74 WeakPolarHBondContact O-CA 3.3Å; L12-L75 HydrophobicContact CB-CB 4.29Å; L12-L75 HydrophobicContact CD1-CD2 4.35Å; L12-L75 PolarHBondContact N-O 3.3Å; L12-L75 PolarHBondContact O-N 3.24Å; L12-M77 HydrophobicContact CD1-CE 4.22Å; L12-M77 HydrophobicContact CD1-SD 4.19Å; L12-M77 HydrophobicContact CG-CE 4.19Å; L12-Y88 HydrophobicContact CD1-CD1 3.87Å; L12-Y88 HydrophobicContact CD1-CD2 4.07Å; L12-Y88 HydrophobicContact CD1-CG 3.58Å
13	S	97.9	Very high	92.5	Very high	85 Å²	85	68.3 Å²	68.3	59%	0.594	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.2	170.7	60.2	0	0	0	0	110.3	L73	S13-L73 CarbonylContact C-O 3.6Å; S13-L73 WeakPolarHBondContact CA-O 3.39Å
14	C	97.7	Very high	93.4	Very high	17 Å²	17	63.3 Å²	63.3	12%	0.115	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	113	172.9	161.4	0	0	0	0	109.1	W28 I72 L73 C90	C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 4.12Å; C14-I72 CarbonylContact O-C 3.48Å; C14-I72 VanDerWaalsContact O-CA 3.32Å; C14-I72 WeakPolarHBondContact O-CA 3.38Å; C14-L73 HydrophobicContact CB-CB 4.41Å; C14-L73 PolarHBondContact N-O 3.32Å; C14-L73 PolarHBondContact O-N 3Å; C14-C90 HydrophobicContact CB-CB 3.44Å; C14-C90 VanDerWaalsContact CB-CB 3.44Å; C14-C90 WeakPolarHBondContact CB-SG 3.41Å; C14-C90 WeakPolarHBondContact SG-CB 3.5Å; C14-C90 CovalentContact SG-SG 2.01Å; C14-C90 PolarHBondContact SG-SG 3.32Å
15	A	97.5	Very high	94	Very high	80 Å²	80	62.3 Å²	62.3	66%	0.661	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	128	170.6	0	0	0	0	0	109.6	I72	A15-I72 HydrophobicContact CB-CG1 4.25Å
16	A	95.8	Very high	94.8	Very high	21 Å²	21	55 Å²	55	17%	0.174	37%	0.372	C	S	.	.			trans	-102.9	146.1	178.4	0	0	0	0	0	111	F19 F21 S71	A16-F19 HydrophobicContact CB-CE1 3.81Å; A16-F19 HydrophobicContact CB-CZ 3.65Å; A16-F21 HydrophobicContact CB-CD2 3.63Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-S71 PolarHBondContact N-O 2.87Å
17	S	95.6	Very high	95.5	Very high	108 Å²	108	50.1 Å²	50.1	76%	0.755	34%	0.341	S	S	*	.			trans	-146.6	164.9	173.5	61.1	0	0	0	0	110.2	F19	S17-F19 WeakPolarHBondContact O-CD1 3.42Å
18	G	95.3	Very high	96.1	Very high	84 Å²	84	48.1 Å²	48.1	87%	0.866	32%	0.317	S	S	*	.	S	Bend	trans	82.5	8.6	178.3	0	0	0	0	0	115.5
19	F	93.8	Very high	96.5	Very high	51 Å²	51	48.1 Å²	48.1	22%	0.224	31%	0.313	C	S	.	.	S	Bend	trans	-158.9	163.5	172	64.2	-83.6	0	0	0	111.6	A16 S17 F21 Y24 M26 R92	A16-F19 HydrophobicContact CB-CE1 3.81Å; A16-F19 HydrophobicContact CB-CZ 3.65Å; S17-F19 WeakPolarHBondContact O-CD1 3.42Å; F19-F21 HydrophobicContact CE2-CB 4.33Å; F19-F21 HydrophobicContact CE2-CD2 4.18Å; F19-F21 HydrophobicContact CZ-CD2 4.24Å; F19-F21 PolarHBondContact O-N 2.8Å; F19-Y24 HydrophobicContact CB-CE2 4.22Å; F19-Y24 AromaticContact CD2-CD2 3.51Å; F19-Y24 HydrophobicContact CD2-CD2 3.51Å; F19-Y24 AromaticContact CD2-CE2 3.93Å; F19-Y24 HydrophobicContact CD2-CE2 3.93Å; F19-Y24 HydrophobicContact CD2-CG 4.3Å; F19-Y24 HydrophobicContact CE2-CD2 4.08Å; F19-Y24 HydrophobicContact CG-CD2 4.47Å; F19-M26 HydrophobicContact CE2-SD 3.93Å; F19-M26 HydrophobicContact CZ-CE 4.05Å; F19-M26 HydrophobicContact CZ-SD 3.95Å; F19-R92 VanDerWaalsContact CD2-CD 3.46Å; F19-R92 HydrophobicContact CD2-CG 4.19Å; F19-R92 HydrophobicContact CE1-CB 4.45Å; F19-R92 HydrophobicContact CE2-CB 4.29Å; F19-R92 HydrophobicContact CE2-CG 3.81Å; F19-R92 HydrophobicContact CZ-CB 4.02Å; F19-R92 HydrophobicContact CZ-CG 4.06Å
20	T	95.3	Very high	96.7	Very high	81 Å²	81	45.7 Å²	45.7	50%	0.497	29%	0.294	S	S	.	.			trans	-74	91.5	175.3	-48	0	0	0	0	110.3	T22 D23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.32Å; T20-T22 PolarHBondContact O-N 2.83Å; T20-D23 VanDerWaalsContact CB-OD2 3.3Å; T20-D23 WeakPolarHBondContact CB-OD2 3.48Å; T20-D23 VanDerWaalsContact CG2-OD2 3.23Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.33Å; T20-D23 PolarHBondContact O-N 2.79Å; T20-Y24 WeakPolarHBondContact O-CD2 3.04Å
21	F	96.4	Very high	96.8	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.018	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-51.4	-35.8	-174	-178.8	-98.5	0	0	0	114	A16 F19 D23 M26 R66 N68 L73	A16-F21 HydrophobicContact CB-CD2 3.63Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; F19-F21 HydrophobicContact CE2-CB 4.33Å; F19-F21 HydrophobicContact CE2-CD2 4.18Å; F19-F21 HydrophobicContact CZ-CD2 4.24Å; F19-F21 PolarHBondContact O-N 2.8Å; F21-D23 PolarHBondContact O-N 3.21Å; F21-M26 HydrophobicContact CD2-CE 4.24Å; F21-M26 HydrophobicContact CD2-CG 4.11Å; F21-M26 HydrophobicContact CD2-SD 3.9Å; F21-M26 HydrophobicContact CE2-CE 3.83Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.79Å; F21-M26 HydrophobicContact CZ-CG 3.87Å; F21-R66 HydrophobicContact CE1-CB 4.06Å; F21-R66 HydrophobicContact CZ-CB 4.11Å; F21-R66 PolarHBondContact O-NH2 2.65Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.19Å; F21-N68 VanDerWaalsContact CE1-OD1 3.3Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.47Å; F21-L73 HydrophobicContact CE2-CB 4.44Å; F21-L73 HydrophobicContact CZ-CB 4.31Å
22	T	96.3	Very high	96.8	Very high	57 Å²	57	45.3 Å²	45.3	35%	0.35	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-61.4	-25.8	-178.8	51.1	0	0	0	0	114.4	T20 N45 N68	T20-T22 WeakPolarHBondContact CG2-OG1 3.32Å; T20-T22 PolarHBondContact O-N 2.83Å; T22-N45 VanDerWaalsContact O-CB 3.27Å; T22-N45 WeakPolarHBondContact O-CB 3.37Å; T22-N68 HydrophobicContact CG2-CB 3.8Å
23	D	95.3	Very high	96.8	Very high	88 Å²	88	49.4 Å²	49.4	47%	0.471	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-87.7	-24.8	-168.5	-59.7	-10.2	0	0	0	111.6	T20 F21 N45	T20-D23 VanDerWaalsContact CB-OD2 3.3Å; T20-D23 WeakPolarHBondContact CB-OD2 3.48Å; T20-D23 VanDerWaalsContact CG2-OD2 3.23Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.33Å; T20-D23 PolarHBondContact O-N 2.79Å; F21-D23 PolarHBondContact O-N 3.21Å; D23-N45 PolarHBondContact O-ND2 3.23Å
24	Y	96.9	Very high	96.7	Very high	74 Å²	74	49.8 Å²	49.8	29%	0.29	33%	0.33	S	S	.	.	S	Bend	trans	-101.1	154.7	-172.3	-66.3	-82.5	0	0	0	112.4	F19 T20 R66 R92 L93	F19-Y24 HydrophobicContact CB-CE2 4.22Å; F19-Y24 AromaticContact CD2-CD2 3.51Å; F19-Y24 HydrophobicContact CD2-CD2 3.51Å; F19-Y24 AromaticContact CD2-CE2 3.93Å; F19-Y24 HydrophobicContact CD2-CE2 3.93Å; F19-Y24 HydrophobicContact CD2-CG 4.3Å; F19-Y24 HydrophobicContact CE2-CD2 4.08Å; F19-Y24 HydrophobicContact CG-CD2 4.47Å; T20-Y24 WeakPolarHBondContact O-CD2 3.04Å; Y24-R66 PolarHBondContact O-NH1 3.15Å; Y24-R92 HydrophobicContact CD1-CG 3.76Å; Y24-R92 HydrophobicContact CD2-CG 4.22Å; Y24-R92 HydrophobicContact CE1-CG 4.43Å; Y24-R92 HydrophobicContact CG-CG 3.6Å; Y24-L93 VanDerWaalsContact CB-O 3.31Å; Y24-L93 WeakPolarHBondContact CB-O 3.36Å; Y24-L93 WeakPolarHBondContact CD1-O 3.39Å
25	Y	97.6	Very high	96.7	Very high	36 Å²	36	55.8 Å²	55.8	14%	0.141	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	151.2	162.7	-58.9	-2.7	0	0	0	109.2	F42 I43 R44 N45 N48 L93 W94	Y25-F42 HydrophobicContact CD2-CD2 4.41Å; Y25-F42 HydrophobicContact CD2-CE2 4.38Å; Y25-I43 WeakPolarHBondContact CA-O 3.37Å; Y25-R44 VanDerWaalsContact CD1-CA 3.45Å; Y25-R44 HydrophobicContact CD1-CB 3.79Å; Y25-R44 HydrophobicContact CD1-CG 4.17Å; Y25-R44 HydrophobicContact CD2-CG 4.02Å; Y25-R44 HydrophobicContact CE1-CB 3.68Å; Y25-R44 HydrophobicContact CE1-CG 4Å; Y25-R44 HydrophobicContact CE2-CB 4.47Å; Y25-R44 HydrophobicContact CE2-CG 3.88Å; Y25-R44 HydrophobicContact CG-CB 4.22Å; Y25-R44 HydrophobicContact CG-CG 4.18Å; Y25-R44 PolarHBondContact OH-NH1 3.23Å; Y25-N45 HydrophobicContact CD1-CB 4.11Å; Y25-N45 HydrophobicContact CE1-CB 4.27Å; Y25-N48 HydrophobicContact CE1-CB 4.26Å; Y25-N48 VanDerWaalsContact CE1-OD1 3.28Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.02Å; Y25-N48 PolarHBondContact OH-OD1 2.84Å; Y25-L93 PolarHBondContact N-O 2.64Å; Y25-L93 PolarHBondContact O-N 3.47Å; Y25-W94 WeakPolarHBondContact CB-O 3.5Å; Y25-W94 WeakPolarHBondContact CD1-O 3.37Å; Y25-W94 WeakPolarHBondContact CD2-O 3.4Å; Y25-W94 PolarHBondContact N-O 2.83Å
26	M	98.2	Very high	96.6	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.02	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.1	-176.6	-63.5	-57.1	-53.1	0	0	109.3	F19 F21 F42 I43 L73 R92	F19-M26 HydrophobicContact CE2-SD 3.93Å; F19-M26 HydrophobicContact CZ-CE 4.05Å; F19-M26 HydrophobicContact CZ-SD 3.95Å; F21-M26 HydrophobicContact CD2-CE 4.24Å; F21-M26 HydrophobicContact CD2-CG 4.11Å; F21-M26 HydrophobicContact CD2-SD 3.9Å; F21-M26 HydrophobicContact CE2-CE 3.83Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.79Å; F21-M26 HydrophobicContact CZ-CG 3.87Å; M26-F42 CarbonylContact O-C 3.59Å; M26-F42 WeakPolarHBondContact O-CA 3.29Å; M26-F42 WeakPolarHBondContact O-CB 3.45Å; M26-I43 HydrophobicContact CB-CG2 4.16Å; M26-I43 PolarHBondContact N-O 2.85Å; M26-I43 PolarHBondContact O-N 3.09Å; M26-L73 HydrophobicContact CB-CD1 3.55Å; M26-L73 HydrophobicContact CB-CD2 3.87Å; M26-L73 HydrophobicContact CB-CG 4.22Å; M26-L73 HydrophobicContact CG-CD1 4.47Å; M26-R92 HydrophobicContact SD-CB 4.38Å; M26-R92 HydrophobicContact SD-CG 4.47Å
27	S	98.1	Very high	96.7	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.014	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.7	-172.6	-167.3	0	0	0	0	112.1	W39 G41 C90 A91	S27-W39 PolarHBondContact OG-NE1 3.18Å; S27-G41 VanDerWaalsContact CA-O 3.28Å; S27-G41 WeakPolarHBondContact CA-O 3.24Å; S27-G41 PolarHBondContact OG-O 2.92Å; S27-C90 CarbonylContact O-C 3.54Å; S27-C90 VanDerWaalsContact O-CA 3.28Å; S27-C90 WeakPolarHBondContact O-CA 3.42Å; S27-A91 PolarHBondContact N-O 3.36Å; S27-A91 PolarHBondContact O-N 3.49Å
28	W	98.5	Very high	96.8	Very high	8 Å²	8	57.9 Å²	57.9	3%	0.03	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.4	163.6	-74.7	97.5	0	0	0	110.8	L12 C14 L40 G41 L73 Y74 L75 Y89 C90	L12-W28 HydrophobicContact CB-CH2 3.84Å; L12-W28 HydrophobicContact CB-CZ2 4.34Å; L12-W28 HydrophobicContact CB-CZ3 4.35Å; L12-W28 HydrophobicContact CD1-CZ3 4.34Å; C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 4.12Å; W28-L40 HydrophobicContact CB-CB 4.37Å; W28-L40 HydrophobicContact CB-CD1 4.41Å; W28-L40 WeakPolarHBondContact O-CB 3.48Å; W28-L40 PolarHBondContact O-N 2.79Å; W28-G41 PolarHBondContact N-O 2.79Å; W28-L73 HydrophobicContact CD2-CD2 4.24Å; W28-L73 HydrophobicContact CG-CD2 4.26Å; W28-L73 HydrophobicContact CZ2-CD2 4.19Å; W28-L73 HydrophobicContact CZ2-CG 4.25Å; W28-L73 VanDerWaalsContact NE1-CG 3.34Å; W28-Y74 PolarHBondContact NE1-O 2.87Å; W28-L75 HydrophobicContact CB-CD2 4.37Å; W28-L75 HydrophobicContact CD2-CB 3.91Å; W28-L75 HydrophobicContact CD2-CD2 4.08Å; W28-L75 HydrophobicContact CD2-CG 4.47Å; W28-L75 HydrophobicContact CE3-CD2 4.36Å; W28-L75 HydrophobicContact CG-CB 4.16Å; W28-L75 HydrophobicContact CG-CD1 4.16Å; W28-L75 HydrophobicContact CG-CD2 4.08Å; W28-L75 HydrophobicContact CG-CG 4.38Å; W28-L75 HydrophobicContact CZ2-CB 3.88Å; W28-Y89 WeakPolarHBondContact CA-O 3.3Å; W28-C90 HydrophobicContact CE3-CB 4.49Å; W28-C90 HydrophobicContact CH2-CB 4.45Å; W28-C90 HydrophobicContact CZ3-CB 4.36Å
29	V	98.2	Very high	96.9	Very high	25 Å²	25	58.4 Å²	58.4	15%	0.152	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.7	176.6	-174.2	0	0	0	0	107.2	L37 E38 Y89	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.7Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.34Å; V29-E38 VanDerWaalsContact CG1-O 3.32Å; V29-E38 WeakPolarHBondContact CG1-O 3.46Å; V29-Y89 PolarHBondContact N-O 2.96Å; V29-Y89 PolarHBondContact O-N 2.83Å
30	R	97.6	Very high	97.1	Very high	12 Å²	12	56 Å²	56	5%	0.045	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.5	171.3	71.6	-178.9	178.4	-169.1	-0.2	111.9	L37 E38 L40 D84 A86 T87 Y88	R30-L37 WeakPolarHBondContact O-CA 3.22Å; R30-E38 HydrophobicContact CG-CB 4.15Å; R30-E38 IonicContact CZ-OE1 3.82Å; R30-E38 IonicContact CZ-OE2 3.21Å; R30-E38 VanDerWaalsContact CZ-OE2 3.25Å; R30-E38 PolarHBondContact N-O 2.97Å; R30-E38 IonicContact NE-OE1 3.88Å; R30-E38 IonicContact NE-OE2 3.98Å; R30-E38 PolarHBondContact NE-OE2 3.45Å; R30-E38 IonicContact NH2-OE1 2.92Å; R30-E38 PolarHBondContact NH2-OE1 2.94Å; R30-E38 IonicContact NH2-OE2 3.96Å; R30-E38 PolarHBondContact NH2-OE2 3.27Å; R30-E38 PolarHBondContact O-N 2.91Å; R30-L40 HydrophobicContact CB-CD1 3.97Å; R30-L40 HydrophobicContact CB-CG 4.41Å; R30-L40 HydrophobicContact CG-CD1 4.09Å; R30-L40 HydrophobicContact CG-CD2 3.8Å; R30-L40 HydrophobicContact CG-CG 4.11Å; R30-D84 IonicContact CZ-OD1 3.25Å; R30-D84 IonicContact NH1-OD1 3.76Å; R30-D84 PolarHBondContact NH1-OD1 2.81Å; R30-A86 HydrophobicContact CB-CB 3.83Å; R30-A86 HydrophobicContact CG-CB 4.16Å; R30-T87 CarbonylContact C-O 3.46Å; R30-T87 VanDerWaalsContact CA-O 3.24Å; R30-T87 WeakPolarHBondContact CA-O 3.47Å; R30-Y88 HydrophobicContact CB-CD1 4.03Å; R30-Y88 HydrophobicContact CB-CE1 3.99Å; R30-Y88 HydrophobicContact CB-CG 4.33Å
31	Q	97.9	Very high	97.3	Very high	74 Å²	74	52.2 Å²	52.2	35%	0.346	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	103.3	172.1	-168.3	177.2	24.6	0	0	109.6	K35 L37 A86 T87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.36Å; Q31-K35 PolarHBondContact NE2-O 2.83Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 4.32Å; Q31-A86 WeakPolarHBondContact O-CB 3.4Å; Q31-T87 PolarHBondContact N-O 2.99Å; Q31-T87 PolarHBondContact O-N 2.74Å; Q31-Y89 HydrophobicContact CB-CE2 3.83Å; Q31-Y89 PolarHBondContact OE1-OH 3.04Å
32	P	96.6	Very high	97.4	Very high	18 Å²	18	53 Å²	53	12%	0.117	30%	0.298	C	S	.	.			trans	-64.7	152	169.5	-18	31.1	0	0	0	110.8	G34 K35 A86	P32-G34 PolarHBondContact O-N 3.16Å; P32-K35 HydrophobicContact CB-CB 4.07Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.21Å; P32-K35 HydrophobicContact CG-CB 4.29Å; P32-K35 HydrophobicContact CG-CD 4.28Å; P32-K35 PolarHBondContact O-N 3.34Å; P32-A86 HydrophobicContact CG-CB 4.39Å
33	P	95.9	Very high	97.5	Very high	109 Å²	109	50.8 Å²	50.8	71%	0.708	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	126.5	177.7	-25.8	34.5	0	0	0	112.1	K35	P33-K35 PolarHBondContact O-N 2.61Å
34	G	96.8	Very high	97.6	Very high	92 Å²	92	49.6 Å²	49.6	95%	0.948	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	10.5	179.5	0	0	0	0	0	115.5	P32	P32-G34 PolarHBondContact O-N 3.16Å
35	K	96.6	Very high	97.6	Very high	144 Å²	144	47 Å²	47	63%	0.626	26%	0.263	S	S	*	.	S	Bend	trans	-117.7	163.6	179.9	-60.2	-168.4	-176.1	178.4	0	112.4	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.36Å; Q31-K35 PolarHBondContact NE2-O 2.83Å; P32-K35 HydrophobicContact CB-CB 4.07Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.21Å; P32-K35 HydrophobicContact CG-CB 4.29Å; P32-K35 HydrophobicContact CG-CD 4.28Å; P32-K35 PolarHBondContact O-N 3.34Å; P33-K35 PolarHBondContact O-N 2.61Å
36	A	96.7	Very high	97.4	Very high	81 Å²	81	52.3 Å²	52.3	67%	0.669	29%	0.287	S	S	*	.			trans	-67.2	166.5	171.4	0	0	0	0	0	111.6
37	L	97.3	Very high	97.3	Very high	111 Å²	111	56.4 Å²	56.4	58%	0.581	32%	0.321	S	S	*	.			trans	-65.4	135	173.5	-72	165.4	0	0	0	110.8	V29 R30 Q31 Y89	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.7Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; R30-L37 WeakPolarHBondContact O-CA 3.22Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 4.32Å; L37-Y89 HydrophobicContact CD2-CD2 3.97Å; L37-Y89 HydrophobicContact CD2-CE2 4Å
38	E	97.6	Very high	97.2	Very high	60 Å²	60	59.8 Å²	59.8	28%	0.28	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.8	175.3	-175.5	-169	168.2	0	0	109.2	V29 R30 S57	V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.34Å; V29-E38 VanDerWaalsContact CG1-O 3.32Å; V29-E38 WeakPolarHBondContact CG1-O 3.46Å; R30-E38 HydrophobicContact CG-CB 4.15Å; R30-E38 IonicContact CZ-OE1 3.82Å; R30-E38 IonicContact CZ-OE2 3.21Å; R30-E38 VanDerWaalsContact CZ-OE2 3.25Å; R30-E38 PolarHBondContact N-O 2.97Å; R30-E38 IonicContact NE-OE1 3.88Å; R30-E38 IonicContact NE-OE2 3.98Å; R30-E38 PolarHBondContact NE-OE2 3.45Å; R30-E38 IonicContact NH2-OE1 2.92Å; R30-E38 PolarHBondContact NH2-OE1 2.94Å; R30-E38 IonicContact NH2-OE2 3.96Å; R30-E38 PolarHBondContact NH2-OE2 3.27Å; R30-E38 PolarHBondContact O-N 2.91Å; E38-S57 WeakPolarHBondContact OE1-CB 2.99Å; E38-S57 PolarHBondContact OE1-OG 2.84Å
39	W	98	Very high	97	Very high	96 Å²	96	62 Å²	62	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.4	171.9	174.7	82.6	0	0	0	110.8	S27 G41 F42 E53 S55	S27-W39 PolarHBondContact OG-NE1 3.18Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 3.08Å; W39-F42 AromaticContact CZ2-CD1 3.47Å; W39-F42 HydrophobicContact CZ2-CD1 3.47Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.47Å; W39-F42 AromaticContact CZ2-CE1 3.94Å; W39-F42 HydrophobicContact CZ2-CE1 3.94Å; W39-F42 HydrophobicContact CZ2-CG 4.41Å; W39-E53 HydrophobicContact CH2-CB 4.18Å; W39-E53 HydrophobicContact CZ2-CB 4.43Å; W39-S55 WeakPolarHBondContact O-CB 3.37Å
40	L	98.1	Very high	97	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.005	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-34.1	-178.8	-60.1	176.2	0	0	0	113.3	W28 R30 Y54 S55 V58 L75 Y88	W28-L40 HydrophobicContact CB-CB 4.37Å; W28-L40 HydrophobicContact CB-CD1 4.41Å; W28-L40 WeakPolarHBondContact O-CB 3.48Å; W28-L40 PolarHBondContact O-N 2.79Å; R30-L40 HydrophobicContact CB-CD1 3.97Å; R30-L40 HydrophobicContact CB-CG 4.41Å; R30-L40 HydrophobicContact CG-CD1 4.09Å; R30-L40 HydrophobicContact CG-CD2 3.8Å; R30-L40 HydrophobicContact CG-CG 4.11Å; L40-Y54 CarbonylContact O-C 3.49Å; L40-Y54 WeakPolarHBondContact O-CA 3.41Å; L40-S55 PolarHBondContact O-N 2.88Å; L40-S55 PolarHBondContact O-OG 3.4Å; L40-V58 HydrophobicContact CB-CG2 4.27Å; L40-V58 HydrophobicContact CD2-CG1 3.67Å; L40-V58 VanDerWaalsContact O-CG2 3.29Å; L40-V58 WeakPolarHBondContact O-CG2 3.28Å; L40-L75 HydrophobicContact CD1-CD2 4.42Å; L40-Y88 HydrophobicContact CD1-CD1 3.79Å; L40-Y88 HydrophobicContact CD1-CE1 3.49Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.49Å
41	G	98.2	Very high	97	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	169.2	-175.1	0	0	0	0	0	112.8	S27 W28 W39 E53	S27-G41 VanDerWaalsContact CA-O 3.28Å; S27-G41 WeakPolarHBondContact CA-O 3.24Å; S27-G41 PolarHBondContact OG-O 2.92Å; W28-G41 PolarHBondContact N-O 2.79Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 3.08Å; G41-E53 CarbonylContact C-O 3.57Å; G41-E53 WeakPolarHBondContact CA-O 3.41Å
42	F	98.4	Very high	97	Very high	22 Å²	22	67.2 Å²	67.2	10%	0.096	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	163.1	167.1	68.6	-103.9	0	0	0	111.6	Y25 M26 W39 R44 T52 E53 L93	Y25-F42 HydrophobicContact CD2-CD2 4.41Å; Y25-F42 HydrophobicContact CD2-CE2 4.38Å; M26-F42 CarbonylContact O-C 3.59Å; M26-F42 WeakPolarHBondContact O-CA 3.29Å; M26-F42 WeakPolarHBondContact O-CB 3.45Å; W39-F42 AromaticContact CZ2-CD1 3.47Å; W39-F42 HydrophobicContact CZ2-CD1 3.47Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.47Å; W39-F42 AromaticContact CZ2-CE1 3.94Å; W39-F42 HydrophobicContact CZ2-CE1 3.94Å; W39-F42 HydrophobicContact CZ2-CG 4.41Å; F42-R44 HydrophobicContact CD2-CG 4Å; F42-R44 HydrophobicContact CE2-CG 3.5Å; F42-T52 VanDerWaalsContact O-CA 3.32Å; F42-T52 WeakPolarHBondContact O-CA 3.14Å; F42-E53 HydrophobicContact CD1-CB 4.4Å; F42-E53 HydrophobicContact CE1-CB 3.85Å; F42-E53 HydrophobicContact CE1-CG 4.26Å; F42-E53 HydrophobicContact CE2-CB 4.33Å; F42-E53 HydrophobicContact CE2-CG 4.27Å; F42-E53 HydrophobicContact CZ-CB 3.83Å; F42-E53 HydrophobicContact CZ-CG 3.77Å; F42-E53 VanDerWaalsContact CZ-OE1 3.28Å; F42-E53 WeakPolarHBondContact CZ-OE1 3.46Å; F42-E53 PolarHBondContact N-O 2.9Å; F42-E53 PolarHBondContact O-N 3.33Å; F42-E53 VanDerWaalsContact O-N 3.12Å; F42-L93 HydrophobicContact CB-CD1 4.18Å; F42-L93 HydrophobicContact CD1-CD1 4.42Å; F42-L93 HydrophobicContact CG-CD1 4.47Å
43	I	98.5	Very high	97.1	Very high	10 Å²	10	70.6 Å²	70.6	5%	0.051	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.4	167.5	-175.2	160.7	0	0	0	109.3	Y25 M26 T52 I64 R66 L73	Y25-I43 WeakPolarHBondContact CA-O 3.37Å; M26-I43 HydrophobicContact CB-CG2 4.16Å; M26-I43 PolarHBondContact N-O 2.85Å; M26-I43 PolarHBondContact O-N 3.09Å; I43-T52 HydrophobicContact CB-CG2 3.84Å; I43-T52 HydrophobicContact CD1-CG2 3.9Å; I43-T52 HydrophobicContact CG1-CG2 3.77Å; I43-I64 HydrophobicContact CB-CG2 3.8Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; I43-R66 HydrophobicContact CD1-CG 3.87Å; I43-R66 HydrophobicContact CG1-CG 4.42Å; I43-R66 HydrophobicContact CG2-CB 4.32Å; I43-R66 HydrophobicContact CG2-CG 4.39Å; I43-L73 HydrophobicContact CG2-CD1 3.6Å
44	R	98	Very high	97.2	Very high	63 Å²	63	68 Å²	68	24%	0.238	38%	0.384	C	S	.	.			trans	-72.4	165.8	177.3	-58.5	-164.3	-176.3	-114.7	-3.9	111.7	Y25 F42 N48 T51 E53 R66	Y25-R44 VanDerWaalsContact CD1-CA 3.45Å; Y25-R44 HydrophobicContact CD1-CB 3.79Å; Y25-R44 HydrophobicContact CD1-CG 4.17Å; Y25-R44 HydrophobicContact CD2-CG 4.02Å; Y25-R44 HydrophobicContact CE1-CB 3.68Å; Y25-R44 HydrophobicContact CE1-CG 4Å; Y25-R44 HydrophobicContact CE2-CB 4.47Å; Y25-R44 HydrophobicContact CE2-CG 3.88Å; Y25-R44 HydrophobicContact CG-CB 4.22Å; Y25-R44 HydrophobicContact CG-CG 4.18Å; Y25-R44 PolarHBondContact OH-NH1 3.23Å; F42-R44 HydrophobicContact CD2-CG 4Å; F42-R44 HydrophobicContact CE2-CG 3.5Å; R44-N48 HydrophobicContact CB-CB 3.8Å; R44-N48 HydrophobicContact CG-CB 4.33Å; R44-T51 VanDerWaalsContact CD-OG1 3.25Å; R44-T51 WeakPolarHBondContact CD-OG1 3.19Å; R44-T51 PolarHBondContact N-O 2.69Å; R44-E53 IonicContact CZ-OE1 3.33Å; R44-E53 IonicContact NE-OE1 2.69Å; R44-E53 IonicContact NH2-OE1 3.46Å; R44-E53 PolarHBondContact NH2-OE1 3.07Å; R44-R66 PolarHBondContact O-NH1 2.79Å
45	N	96.5	Very high	97.2	Very high	18 Å²	18	64.3 Å²	64.3	10%	0.096	34%	0.344	C	S	.	.			trans	-71	177.3	172.8	69.4	11.5	0	0	0	112	T22 D23 Y25 A47 N48 G49 Y50 R66	T22-N45 VanDerWaalsContact O-CB 3.27Å; T22-N45 WeakPolarHBondContact O-CB 3.37Å; D23-N45 PolarHBondContact O-ND2 3.23Å; Y25-N45 HydrophobicContact CD1-CB 4.11Å; Y25-N45 HydrophobicContact CE1-CB 4.27Å; N45-A47 VanDerWaalsContact C-N 3.3Å; N45-A47 PolarHBondContact O-N 3.42Å; N45-A47 PolarHBondContact OD1-N 3.47Å; N45-N48 CarbonylContact O-C 3.52Å; N45-N48 PolarHBondContact O-N 2.86Å; N45-N48 PolarHBondContact OD1-N 2.01Å; N45-N48 PolarHBondContact OD1-OD1 3.04Å; N45-G49 PolarHBondContact O-N 3.39Å; N45-Y50 PolarHBondContact O-N 2.85Å; N45-Y50 VanDerWaalsContact O-N 3.15Å; N45-R66 VanDerWaalsContact CA-NH1 3.34Å
46	K	94.5	Very high	97.2	Very high	149 Å²	149	62.3 Å²	62.3	65%	0.648	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-60.3	-39.8	179.1	-172.2	176.4	178.9	-177.7	0	112.1	N48 G49 Y50	K46-N48 PolarHBondContact O-N 2.88Å; K46-G49 PolarHBondContact O-N 3.22Å; K46-Y50 HydrophobicContact CB-CE1 3.84Å; K46-Y50 HydrophobicContact CB-CE2 4.09Å; K46-Y50 VanDerWaalsContact CB-CZ 3.49Å; K46-Y50 WeakPolarHBondContact CB-OH 3Å; K46-Y50 HydrophobicContact CG-CE1 4.48Å; K46-Y50 HydrophobicContact CG-CE2 3.82Å; K46-Y50 WeakPolarHBondContact CG-OH 3.28Å
47	A	94.7	Very high	97.1	Very high	89 Å²	89	60.3 Å²	60.3	74%	0.736	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-62	-28.1	-178.3	0	0	0	0	0	112.4	N45	N45-A47 VanDerWaalsContact C-N 3.3Å; N45-A47 PolarHBondContact O-N 3.42Å; N45-A47 PolarHBondContact OD1-N 3.47Å
48	N	96.2	Very high	97.1	Very high	73 Å²	73	55 Å²	55	39%	0.39	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-105.1	25.8	176.6	-59.5	111.1	0	0	0	113.2	Y25 R44 N45 K46 Y50 T51	Y25-N48 HydrophobicContact CE1-CB 4.26Å; Y25-N48 VanDerWaalsContact CE1-OD1 3.28Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.02Å; Y25-N48 PolarHBondContact OH-OD1 2.84Å; R44-N48 HydrophobicContact CB-CB 3.8Å; R44-N48 HydrophobicContact CG-CB 4.33Å; N45-N48 CarbonylContact O-C 3.52Å; N45-N48 PolarHBondContact O-N 2.86Å; N45-N48 PolarHBondContact OD1-N 2.01Å; N45-N48 PolarHBondContact OD1-OD1 3.04Å; K46-N48 PolarHBondContact O-N 2.88Å; N48-Y50 VanDerWaalsContact C-N 3.35Å; N48-Y50 PolarHBondContact O-N 2.68Å; N48-T51 PolarHBondContact O-OG1 2.94Å
49	G	95.6	Very high	97.1	Very high	54 Å²	54	59.8 Å²	59.8	56%	0.557	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	18.9	166.6	0	0	0	0	0	115.6	N45 K46 T51	N45-G49 PolarHBondContact O-N 3.39Å; K46-G49 PolarHBondContact O-N 3.22Å; G49-T51 PolarHBondContact O-N 2.94Å
50	Y	96.8	Very high	97	Very high	95 Å²	95	59 Å²	59	37%	0.373	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	26.4	-177.9	-56.9	-64.2	0	0	0	114.5	N45 K46 N48 R66 N68	N45-Y50 PolarHBondContact O-N 2.85Å; N45-Y50 VanDerWaalsContact O-N 3.15Å; K46-Y50 HydrophobicContact CB-CE1 3.84Å; K46-Y50 HydrophobicContact CB-CE2 4.09Å; K46-Y50 VanDerWaalsContact CB-CZ 3.49Å; K46-Y50 WeakPolarHBondContact CB-OH 3Å; K46-Y50 HydrophobicContact CG-CE1 4.48Å; K46-Y50 HydrophobicContact CG-CE2 3.82Å; K46-Y50 WeakPolarHBondContact CG-OH 3.28Å; N48-Y50 VanDerWaalsContact C-N 3.35Å; N48-Y50 PolarHBondContact O-N 2.68Å; Y50-R66 HydrophobicContact CD1-CG 4.48Å; Y50-N68 PolarHBondContact OH-ND2 2.9Å
51	T	97.7	Very high	96.9	Very high	72 Å²	72	60 Å²	60	44%	0.442	35%	0.353	S	S	.	.			trans	-62.8	147.5	177.5	49.3	0	0	0	0	110.5	R44 N48 G49	R44-T51 VanDerWaalsContact CD-OG1 3.25Å; R44-T51 WeakPolarHBondContact CD-OG1 3.19Å; R44-T51 PolarHBondContact N-O 2.69Å; N48-T51 PolarHBondContact O-OG1 2.94Å; G49-T51 PolarHBondContact O-N 2.94Å
52	T	98.2	Very high	96.9	Very high	55 Å²	55	60.2 Å²	60.2	34%	0.337	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.6	-178.4	50.4	0	0	0	0	110.5	F42 I43 Y54	F42-T52 VanDerWaalsContact O-CA 3.32Å; F42-T52 WeakPolarHBondContact O-CA 3.14Å; I43-T52 HydrophobicContact CB-CG2 3.84Å; I43-T52 HydrophobicContact CD1-CG2 3.9Å; I43-T52 HydrophobicContact CG1-CG2 3.77Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.43Å
53	E	98	Very high	96.9	Very high	89 Å²	89	62.5 Å²	62.5	42%	0.416	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.6	172.2	-67.3	179.7	-142.2	0	0	108.3	W39 G41 F42 R44	W39-E53 HydrophobicContact CH2-CB 4.18Å; W39-E53 HydrophobicContact CZ2-CB 4.43Å; G41-E53 CarbonylContact C-O 3.57Å; G41-E53 WeakPolarHBondContact CA-O 3.41Å; F42-E53 HydrophobicContact CD1-CB 4.4Å; F42-E53 HydrophobicContact CE1-CB 3.85Å; F42-E53 HydrophobicContact CE1-CG 4.26Å; F42-E53 HydrophobicContact CE2-CB 4.33Å; F42-E53 HydrophobicContact CE2-CG 4.27Å; F42-E53 HydrophobicContact CZ-CB 3.83Å; F42-E53 HydrophobicContact CZ-CG 3.77Å; F42-E53 VanDerWaalsContact CZ-OE1 3.28Å; F42-E53 WeakPolarHBondContact CZ-OE1 3.46Å; F42-E53 PolarHBondContact N-O 2.9Å; F42-E53 PolarHBondContact O-N 3.33Å; F42-E53 VanDerWaalsContact O-N 3.12Å; R44-E53 IonicContact CZ-OE1 3.33Å; R44-E53 IonicContact NE-OE1 2.69Å; R44-E53 IonicContact NH2-OE1 3.46Å; R44-E53 PolarHBondContact NH2-OE1 3.07Å
54	Y	98.4	Very high	96.9	Very high	54 Å²	54	62.3 Å²	62.3	21%	0.212	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.5	-175.2	-61.5	-88	0	0	0	110.1	L40 T52 V58 F62 I64	L40-Y54 CarbonylContact O-C 3.49Å; L40-Y54 WeakPolarHBondContact O-CA 3.41Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.43Å; Y54-V58 HydrophobicContact CD1-CG2 4.3Å; Y54-F62 VanDerWaalsContact CE1-O 3.28Å; Y54-F62 WeakPolarHBondContact CE1-O 3.31Å; Y54-I64 HydrophobicContact CD1-CD1 4.39Å; Y54-I64 HydrophobicContact CE1-CB 4.36Å; Y54-I64 HydrophobicContact CE1-CD1 4.03Å; Y54-I64 HydrophobicContact CE1-CG1 3.85Å; Y54-I64 PolarHBondContact OH-N 3.06Å
55	S	97.7	Very high	96.9	Very high	15 Å²	15	61.9 Å²	61.9	11%	0.105	38%	0.375	C	S	.	.			trans	-66.4	155.4	167.4	73.4	0	0	0	0	110.4	W39 L40 S57 V58 K59	W39-S55 WeakPolarHBondContact O-CB 3.37Å; L40-S55 PolarHBondContact O-N 2.88Å; L40-S55 PolarHBondContact O-OG 3.4Å; S55-S57 PolarHBondContact O-N 2.98Å; S55-S57 PolarHBondContact OG-OG 3.05Å; S55-V58 PolarHBondContact O-N 3.17Å; S55-K59 WeakPolarHBondContact O-CB 3.28Å; S55-K59 PolarHBondContact O-N 3.12Å; S55-K59 VanDerWaalsContact O-N 3.08Å
56	A	96.9	Very high	97	Very high	101 Å²	101	62.4 Å²	62.4	84%	0.835	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.2	177.6	0	0	0	0	0	112.8	V58	A56-V58 VanDerWaalsContact C-N 3.31Å; A56-V58 PolarHBondContact O-N 3.05Å
57	S	94.8	Very high	97.1	Very high	39 Å²	39	57.4 Å²	57.4	27%	0.273	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.6	-177.8	55.8	0	0	0	0	113.7	E38 S55 R61	E38-S57 WeakPolarHBondContact OE1-CB 2.99Å; E38-S57 PolarHBondContact OE1-OG 2.84Å; S55-S57 PolarHBondContact O-N 2.98Å; S55-S57 PolarHBondContact OG-OG 3.05Å; S57-R61 PolarHBondContact O-NH2 3.37Å
58	V	96.6	Very high	97.2	Very high	1 Å²	1	55 Å²	55	1%	0.006	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-7.4	-175.2	-55.6	0	0	0	0	114.5	L40 Y54 S55 A56 G60 R61 F62	L40-V58 HydrophobicContact CB-CG2 4.27Å; L40-V58 HydrophobicContact CD2-CG1 3.67Å; L40-V58 VanDerWaalsContact O-CG2 3.29Å; L40-V58 WeakPolarHBondContact O-CG2 3.28Å; Y54-V58 HydrophobicContact CD1-CG2 4.3Å; S55-V58 PolarHBondContact O-N 3.17Å; A56-V58 VanDerWaalsContact C-N 3.31Å; A56-V58 PolarHBondContact O-N 3.05Å; V58-G60 PolarHBondContact O-N 3.31Å; V58-R61 PolarHBondContact O-N 2.97Å; V58-F62 HydrophobicContact CB-CB 4.02Å; V58-F62 HydrophobicContact CB-CD1 4.34Å; V58-F62 HydrophobicContact CB-CD2 3.56Å; V58-F62 HydrophobicContact CB-CE2 4.04Å; V58-F62 HydrophobicContact CB-CG 3.72Å; V58-F62 HydrophobicContact CG1-CD2 3.51Å; V58-F62 HydrophobicContact CG1-CE2 3.47Å; V58-F62 VanDerWaalsContact CG1-CE2 3.47Å; V58-F62 HydrophobicContact CG1-CG 4.13Å; V58-F62 HydrophobicContact CG1-CZ 4.06Å; V58-F62 HydrophobicContact CG2-CB 4.3Å; V58-F62 HydrophobicContact CG2-CD2 4.17Å; V58-F62 HydrophobicContact CG2-CG 4.43Å; V58-F62 PolarHBondContact O-N 3.02Å
59	K	96.6	Very high	97.2	Very high	159 Å²	159	56.5 Å²	56.5	69%	0.691	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	129.1	-179.5	-169.9	170.9	-175.3	175	0	111.1	S55 R61	S55-K59 WeakPolarHBondContact O-CB 3.28Å; S55-K59 PolarHBondContact O-N 3.12Å; S55-K59 VanDerWaalsContact O-N 3.08Å; K59-R61 VanDerWaalsContact C-N 3.25Å; K59-R61 PolarHBondContact O-N 3.39Å
60	G	96.3	Very high	97.2	Very high	81 Å²	81	59.3 Å²	59.3	84%	0.835	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-6.1	-178.6	0	0	0	0	0	115.1	V58	V58-G60 PolarHBondContact O-N 3.31Å
61	R	96.8	Very high	97.3	Very high	21 Å²	21	56.5 Å²	56.5	8%	0.079	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-39.4	176.8	-60.5	-168.7	-57.7	115.4	-1.3	112.1	S57 V58 K59 N78 T79 D84	S57-R61 PolarHBondContact O-NH2 3.37Å; V58-R61 PolarHBondContact O-N 2.97Å; K59-R61 VanDerWaalsContact C-N 3.25Å; K59-R61 PolarHBondContact O-N 3.39Å; R61-N78 WeakPolarHBondContact O-CB 3.28Å; R61-N78 PolarHBondContact O-N 2.95Å; R61-T79 PolarHBondContact NH1-O 2.78Å; R61-T79 VanDerWaalsContact NH1-O 3.09Å; R61-D84 IonicContact CZ-OD1 2.94Å; R61-D84 IonicContact CZ-OD2 2.83Å; R61-D84 IonicContact NH1-OD1 3.93Å; R61-D84 IonicContact NH1-OD2 3.95Å; R61-D84 PolarHBondContact NH1-OD2 2.99Å; R61-D84 IonicContact NH2-OD1 3.87Å; R61-D84 PolarHBondContact NH2-OD1 3.07Å; R61-D84 IonicContact NH2-OD2 2.79Å; R61-D84 PolarHBondContact NH2-OD2 3.4Å
62	F	97.6	Very high	97.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.9	-176.9	-64.7	8.5	0	0	0	110.7	Y54 V58 L75 Q76 M77 L80 D84 Y88	Y54-F62 VanDerWaalsContact CE1-O 3.28Å; Y54-F62 WeakPolarHBondContact CE1-O 3.31Å; V58-F62 HydrophobicContact CB-CB 4.02Å; V58-F62 HydrophobicContact CB-CD1 4.34Å; V58-F62 HydrophobicContact CB-CD2 3.56Å; V58-F62 HydrophobicContact CB-CE2 4.04Å; V58-F62 HydrophobicContact CB-CG 3.72Å; V58-F62 HydrophobicContact CG1-CD2 3.51Å; V58-F62 HydrophobicContact CG1-CE2 3.47Å; V58-F62 VanDerWaalsContact CG1-CE2 3.47Å; V58-F62 HydrophobicContact CG1-CG 4.13Å; V58-F62 HydrophobicContact CG1-CZ 4.06Å; V58-F62 HydrophobicContact CG2-CB 4.3Å; V58-F62 HydrophobicContact CG2-CD2 4.17Å; V58-F62 HydrophobicContact CG2-CG 4.43Å; V58-F62 PolarHBondContact O-N 3.02Å; F62-L75 HydrophobicContact CB-CD1 4.07Å; F62-L75 HydrophobicContact CD2-CD1 4.18Å; F62-L75 HydrophobicContact CD2-CD2 4.14Å; F62-L75 HydrophobicContact CD2-CG 4.37Å; F62-L75 HydrophobicContact CE2-CD2 4.49Å; F62-Q76 CarbonylContact C-O 3.54Å; F62-Q76 VanDerWaalsContact CA-O 3.24Å; F62-Q76 WeakPolarHBondContact CA-O 3.32Å; F62-M77 HydrophobicContact CD1-CB 3.77Å; F62-M77 HydrophobicContact CD1-CG 4.06Å; F62-M77 HydrophobicContact CD2-CG 3.97Å; F62-M77 HydrophobicContact CD2-SD 4.38Å; F62-M77 HydrophobicContact CE1-CB 3.65Å; F62-M77 HydrophobicContact CE1-CG 4.02Å; F62-M77 HydrophobicContact CE1-SD 4.48Å; F62-M77 HydrophobicContact CE2-CB 4.45Å; F62-M77 HydrophobicContact CE2-CG 3.9Å; F62-M77 HydrophobicContact CE2-SD 3.79Å; F62-M77 HydrophobicContact CG-CB 4.27Å; F62-M77 HydrophobicContact CG-CG 4.06Å; F62-M77 HydrophobicContact CZ-CB 4.02Å; F62-M77 HydrophobicContact CZ-CG 3.95Å; F62-M77 HydrophobicContact CZ-SD 3.87Å; F62-L80 HydrophobicContact CE1-CD2 4.13Å; F62-L80 HydrophobicContact CZ-CD2 4.07Å; F62-D84 HydrophobicContact CZ-CB 4.21Å; F62-Y88 HydrophobicContact CE2-CE1 4.3Å
63	T	98.3	Very high	97.3	Very high	70 Å²	70	51.7 Å²	51.7	43%	0.429	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.5	177.3	-54.7	0	0	0	0	109.1	Q76	T63-Q76 PolarHBondContact N-O 3.06Å; T63-Q76 PolarHBondContact O-N 3.03Å
64	I	98.4	Very high	97.3	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132	173.9	-60.4	170.3	0	0	0	108.4	I43 Y54 L73 Y74 L75	I43-I64 HydrophobicContact CB-CG2 3.8Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; Y54-I64 HydrophobicContact CD1-CD1 4.39Å; Y54-I64 HydrophobicContact CE1-CB 4.36Å; Y54-I64 HydrophobicContact CE1-CD1 4.03Å; Y54-I64 HydrophobicContact CE1-CG1 3.85Å; Y54-I64 PolarHBondContact OH-N 3.06Å; I64-L73 HydrophobicContact CG2-CD1 3.81Å; I64-Y74 WeakPolarHBondContact CA-O 3.33Å; I64-L75 HydrophobicContact CD1-CD1 4.45Å; I64-L75 HydrophobicContact CG1-CD1 3.6Å
65	S	98.3	Very high	97.3	Very high	54 Å²	54	48 Å²	48	38%	0.378	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	163.7	172.3	63.6	0	0	0	0	110.4	L73 Y74	S65-L73 WeakPolarHBondContact O-CD1 3.23Å; S65-Y74 PolarHBondContact N-O 2.88Å; S65-Y74 VanDerWaalsContact N-O 3.17Å; S65-Y74 PolarHBondContact O-N 3.41Å; S65-Y74 WeakPolarHBondContact OG-CB 3.33Å
66	R	97.8	Very high	97.3	Very high	30 Å²	30	50.3 Å²	50.3	11%	0.113	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.3	-176.4	63.4	-174	-72.6	166.9	5.6	111.2	F21 Y24 I43 R44 N45 Y50 N68 I72 L73	F21-R66 HydrophobicContact CE1-CB 4.06Å; F21-R66 HydrophobicContact CZ-CB 4.11Å; F21-R66 PolarHBondContact O-NH2 2.65Å; Y24-R66 PolarHBondContact O-NH1 3.15Å; I43-R66 HydrophobicContact CD1-CG 3.87Å; I43-R66 HydrophobicContact CG1-CG 4.42Å; I43-R66 HydrophobicContact CG2-CB 4.32Å; I43-R66 HydrophobicContact CG2-CG 4.39Å; R44-R66 PolarHBondContact O-NH1 2.79Å; N45-R66 VanDerWaalsContact CA-NH1 3.34Å; Y50-R66 HydrophobicContact CD1-CG 4.48Å; R66-N68 VanDerWaalsContact CZ-OD1 3.27Å; R66-N68 PolarHBondContact NE-OD1 2.86Å; R66-N68 PolarHBondContact NH2-OD1 2.82Å; R66-I72 CarbonylContact C-O 3.49Å; R66-I72 WeakPolarHBondContact CA-O 3.24Å; R66-L73 HydrophobicContact CB-CD1 4.22Å
67	D	97.1	Very high	97.3	Very high	43 Å²	43	45.8 Å²	45.8	23%	0.23	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108.3	168.2	-176.2	-13.1	0	0	0	109.1	S69 Q70 S71 I72 Y74	D67-S69 WeakPolarHBondContact OD1-CA 3.45Å; D67-S69 WeakPolarHBondContact OD1-CB 3.25Å; D67-S69 PolarHBondContact OD1-N 3.22Å; D67-S69 PolarHBondContact OD1-OG 2.71Å; D67-S69 PolarHBondContact OD2-OG 2.88Å; D67-Q70 HydrophobicContact CB-CB 4.45Å; D67-Q70 PolarHBondContact OD1-N 3.26Å; D67-Q70 VanDerWaalsContact OD2-CD 3.25Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.33Å; D67-S71 WeakPolarHBondContact O-CA 3.28Å; D67-S71 PolarHBondContact O-N 2.8Å; D67-I72 PolarHBondContact N-O 3.22Å; D67-I72 PolarHBondContact O-N 2.87Å; D67-Y74 HydrophobicContact CB-CE2 3.97Å
68	N	96.4	Very high	97.4	Very high	38 Å²	38	46.5 Å²	46.5	20%	0.203	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-25.3	-179.3	-73	-17.5	0	0	0	113.3	F21 T22 Y50 R66 Q70	F21-N68 WeakPolarHBondContact CD1-OD1 3.19Å; F21-N68 VanDerWaalsContact CE1-OD1 3.3Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.47Å; T22-N68 HydrophobicContact CG2-CB 3.8Å; Y50-N68 PolarHBondContact OH-ND2 2.9Å; R66-N68 VanDerWaalsContact CZ-OD1 3.27Å; R66-N68 PolarHBondContact NE-OD1 2.86Å; R66-N68 PolarHBondContact NH2-OD1 2.82Å; N68-Q70 VanDerWaalsContact C-N 3.26Å; N68-Q70 PolarHBondContact O-N 2.83Å
69	S	95.9	Very high	97.2	Very high	106 Å²	106	50.4 Å²	50.4	74%	0.741	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-28.9	178.2	71.4	0	0	0	0	111.7	D67	D67-S69 WeakPolarHBondContact OD1-CA 3.45Å; D67-S69 WeakPolarHBondContact OD1-CB 3.25Å; D67-S69 PolarHBondContact OD1-N 3.22Å; D67-S69 PolarHBondContact OD1-OG 2.71Å; D67-S69 PolarHBondContact OD2-OG 2.88Å
70	Q	97.1	Very high	97.1	Very high	112 Å²	112	43.8 Å²	43.8	52%	0.523	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-6.5	-179.4	-59.4	-177.3	2.3	0	0	113.1	D67 N68 I72	D67-Q70 HydrophobicContact CB-CB 4.45Å; D67-Q70 PolarHBondContact OD1-N 3.26Å; D67-Q70 VanDerWaalsContact OD2-CD 3.25Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.33Å; N68-Q70 VanDerWaalsContact C-N 3.26Å; N68-Q70 PolarHBondContact O-N 2.83Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 HydrophobicContact CB-CB 4.43Å; Q70-I72 HydrophobicContact CB-CD1 3.86Å; Q70-I72 HydrophobicContact CB-CG1 3.8Å; Q70-I72 WeakPolarHBondContact O-CG1 3.36Å; Q70-I72 PolarHBondContact O-N 2.92Å
71	S	97.6	Very high	97	Very high	36 Å²	36	45.9 Å²	45.9	25%	0.252	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	42.3	-170.8	-58.1	0	0	0	0	112.7	A16 D67	A16-S71 PolarHBondContact N-O 2.87Å; D67-S71 WeakPolarHBondContact O-CA 3.28Å; D67-S71 PolarHBondContact O-N 2.8Å
72	I	98.4	Very high	96.7	Very high	27 Å²	27	48.9 Å²	48.9	14%	0.138	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.2	-178.8	-58.1	-178.7	0	0	0	110.8	C14 A15 R66 D67 Q70 Y74	C14-I72 CarbonylContact O-C 3.48Å; C14-I72 VanDerWaalsContact O-CA 3.32Å; C14-I72 WeakPolarHBondContact O-CA 3.38Å; A15-I72 HydrophobicContact CB-CG1 4.25Å; R66-I72 CarbonylContact C-O 3.49Å; R66-I72 WeakPolarHBondContact CA-O 3.24Å; D67-I72 PolarHBondContact N-O 3.22Å; D67-I72 PolarHBondContact O-N 2.87Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 HydrophobicContact CB-CB 4.43Å; Q70-I72 HydrophobicContact CB-CD1 3.86Å; Q70-I72 HydrophobicContact CB-CG1 3.8Å; Q70-I72 WeakPolarHBondContact O-CG1 3.36Å; Q70-I72 PolarHBondContact O-N 2.92Å; I72-Y74 HydrophobicContact CB-CE2 3.99Å; I72-Y74 HydrophobicContact CG2-CD1 4.14Å; I72-Y74 HydrophobicContact CG2-CD2 4.15Å; I72-Y74 HydrophobicContact CG2-CE1 3.64Å; I72-Y74 HydrophobicContact CG2-CE2 3.64Å; I72-Y74 HydrophobicContact CG2-CG 4.38Å
73	L	98.5	Very high	96.4	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.4	168	-173.3	70.6	0	0	0	109.6	S13 C14 F21 M26 W28 I43 I64 S65 R66 C90	S13-L73 CarbonylContact C-O 3.6Å; S13-L73 WeakPolarHBondContact CA-O 3.39Å; C14-L73 HydrophobicContact CB-CB 4.41Å; C14-L73 PolarHBondContact N-O 3.32Å; C14-L73 PolarHBondContact O-N 3Å; F21-L73 HydrophobicContact CE2-CB 4.44Å; F21-L73 HydrophobicContact CZ-CB 4.31Å; M26-L73 HydrophobicContact CB-CD1 3.55Å; M26-L73 HydrophobicContact CB-CD2 3.87Å; M26-L73 HydrophobicContact CB-CG 4.22Å; M26-L73 HydrophobicContact CG-CD1 4.47Å; W28-L73 HydrophobicContact CD2-CD2 4.24Å; W28-L73 HydrophobicContact CG-CD2 4.26Å; W28-L73 HydrophobicContact CZ2-CD2 4.19Å; W28-L73 HydrophobicContact CZ2-CG 4.25Å; W28-L73 VanDerWaalsContact NE1-CG 3.34Å; I43-L73 HydrophobicContact CG2-CD1 3.6Å; I64-L73 HydrophobicContact CG2-CD1 3.81Å; S65-L73 WeakPolarHBondContact O-CD1 3.23Å; R66-L73 HydrophobicContact CB-CD1 4.22Å; L73-C90 HydrophobicContact CD2-CB 3.98Å
74	Y	98.4	Very high	96.3	Very high	63 Å²	63	51 Å²	51	25%	0.247	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.8	177.4	-60.7	-81.8	0	0	0	111.3	L12 W28 I64 S65 D67 I72	L12-Y74 CarbonylContact O-C 3.6Å; L12-Y74 VanDerWaalsContact O-CA 3.26Å; L12-Y74 WeakPolarHBondContact O-CA 3.3Å; W28-Y74 PolarHBondContact NE1-O 2.87Å; I64-Y74 WeakPolarHBondContact CA-O 3.33Å; S65-Y74 PolarHBondContact N-O 2.88Å; S65-Y74 VanDerWaalsContact N-O 3.17Å; S65-Y74 PolarHBondContact O-N 3.41Å; S65-Y74 WeakPolarHBondContact OG-CB 3.33Å; D67-Y74 HydrophobicContact CB-CE2 3.97Å; I72-Y74 HydrophobicContact CB-CE2 3.99Å; I72-Y74 HydrophobicContact CG2-CD1 4.14Å; I72-Y74 HydrophobicContact CG2-CD2 4.15Å; I72-Y74 HydrophobicContact CG2-CE1 3.64Å; I72-Y74 HydrophobicContact CG2-CE2 3.64Å; I72-Y74 HydrophobicContact CG2-CG 4.38Å
75	L	98.4	Very high	96.1	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	102.5	167.3	-174.1	68.2	0	0	0	108.4	S11 L12 W28 L40 F62 I64 M77 Y88	S11-L75 WeakPolarHBondContact CA-O 3.32Å; L12-L75 HydrophobicContact CB-CB 4.29Å; L12-L75 HydrophobicContact CD1-CD2 4.35Å; L12-L75 PolarHBondContact N-O 3.3Å; L12-L75 PolarHBondContact O-N 3.24Å; W28-L75 HydrophobicContact CB-CD2 4.37Å; W28-L75 HydrophobicContact CD2-CB 3.91Å; W28-L75 HydrophobicContact CD2-CD2 4.08Å; W28-L75 HydrophobicContact CD2-CG 4.47Å; W28-L75 HydrophobicContact CE3-CD2 4.36Å; W28-L75 HydrophobicContact CG-CB 4.16Å; W28-L75 HydrophobicContact CG-CD1 4.16Å; W28-L75 HydrophobicContact CG-CD2 4.08Å; W28-L75 HydrophobicContact CG-CG 4.38Å; W28-L75 HydrophobicContact CZ2-CB 3.88Å; L40-L75 HydrophobicContact CD1-CD2 4.42Å; F62-L75 HydrophobicContact CB-CD1 4.07Å; F62-L75 HydrophobicContact CD2-CD1 4.18Å; F62-L75 HydrophobicContact CD2-CD2 4.14Å; F62-L75 HydrophobicContact CD2-CG 4.37Å; F62-L75 HydrophobicContact CE2-CD2 4.49Å; I64-L75 HydrophobicContact CD1-CD1 4.45Å; I64-L75 HydrophobicContact CG1-CD1 3.6Å; L75-M77 HydrophobicContact CD2-CG 3.83Å; L75-M77 HydrophobicContact CD2-SD 3.82Å; L75-M77 HydrophobicContact CG-CG 3.74Å; L75-M77 HydrophobicContact CG-SD 4.4Å; L75-M77 PolarHBondContact O-N 2.9Å; L75-Y88 HydrophobicContact CD2-CD1 3.9Å; L75-Y88 HydrophobicContact CD2-CE1 4.02Å
76	Q	97.9	Very high	96	Very high	64 Å²	64	53.5 Å²	53.5	30%	0.299	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.9	168.3	-178.1	63.2	25.5	0	0	108.3	S11 F62 T63 N78	S11-Q76 VanDerWaalsContact CB-OE1 3.27Å; S11-Q76 PolarHBondContact OG-OE1 3.43Å; F62-Q76 CarbonylContact C-O 3.54Å; F62-Q76 VanDerWaalsContact CA-O 3.24Å; F62-Q76 WeakPolarHBondContact CA-O 3.32Å; T63-Q76 PolarHBondContact N-O 3.06Å; T63-Q76 PolarHBondContact O-N 3.03Å; Q76-N78 PolarHBondContact NE2-OD1 3.15Å
77	M	96.8	Very high	95.9	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.03	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.9	178.9	-54	-173.2	-53.6	0	0	108.8	S9 L10 L12 F62 L75 L80 Y88	S9-M77 CarbonylContact C-O 3.53Å; S9-M77 WeakPolarHBondContact CA-O 3.5Å; S9-M77 WeakPolarHBondContact CB-O 3.26Å; L10-M77 HydrophobicContact CB-CE 3.83Å; L10-M77 HydrophobicContact CD2-CE 3.8Å; L10-M77 HydrophobicContact CG-CE 4.11Å; L10-M77 PolarHBondContact N-O 3.17Å; L10-M77 WeakPolarHBondContact O-CB 3.27Å; L10-M77 PolarHBondContact O-N 3.26Å; L12-M77 HydrophobicContact CD1-CE 4.22Å; L12-M77 HydrophobicContact CD1-SD 4.19Å; L12-M77 HydrophobicContact CG-CE 4.19Å; F62-M77 HydrophobicContact CD1-CB 3.77Å; F62-M77 HydrophobicContact CD1-CG 4.06Å; F62-M77 HydrophobicContact CD2-CG 3.97Å; F62-M77 HydrophobicContact CD2-SD 4.38Å; F62-M77 HydrophobicContact CE1-CB 3.65Å; F62-M77 HydrophobicContact CE1-CG 4.02Å; F62-M77 HydrophobicContact CE1-SD 4.48Å; F62-M77 HydrophobicContact CE2-CB 4.45Å; F62-M77 HydrophobicContact CE2-CG 3.9Å; F62-M77 HydrophobicContact CE2-SD 3.79Å; F62-M77 HydrophobicContact CG-CB 4.27Å; F62-M77 HydrophobicContact CG-CG 4.06Å; F62-M77 HydrophobicContact CZ-CB 4.02Å; F62-M77 HydrophobicContact CZ-CG 3.95Å; F62-M77 HydrophobicContact CZ-SD 3.87Å; L75-M77 HydrophobicContact CD2-CG 3.83Å; L75-M77 HydrophobicContact CD2-SD 3.82Å; L75-M77 HydrophobicContact CG-CG 3.74Å; L75-M77 HydrophobicContact CG-SD 4.4Å; L75-M77 PolarHBondContact O-N 2.9Å; M77-L80 HydrophobicContact CB-CD2 3.86Å; M77-L80 HydrophobicContact CB-CG 4.2Å; M77-L80 HydrophobicContact CE-CD1 4.12Å; M77-L80 HydrophobicContact CE-CD2 3.81Å; M77-L80 HydrophobicContact SD-CD2 4.16Å; M77-Y88 HydrophobicContact SD-CD1 4.45Å; M77-Y88 HydrophobicContact SD-CE1 3.78Å
78	N	95.3	Very high	96	Very high	53 Å²	53	55.8 Å²	55.8	28%	0.283	31%	0.311	S	S	.	.			trans	-108	153.5	176.4	-55.3	-53.3	0	0	0	110.7	S9 R61 Q76 L80	S9-N78 WeakPolarHBondContact OG-CA 3.35Å; S9-N78 PolarHBondContact OG-OD1 2.96Å; S9-N78 VanDerWaalsContact OG-OD1 3.07Å; R61-N78 WeakPolarHBondContact O-CB 3.28Å; R61-N78 PolarHBondContact O-N 2.95Å; Q76-N78 PolarHBondContact NE2-OD1 3.15Å; N78-L80 VanDerWaalsContact C-N 3.34Å; N78-L80 PolarHBondContact O-N 2.85Å
79	T	93.3	Very high	96	Very high	84 Å²	84	58.8 Å²	58.8	52%	0.515	32%	0.32	S	S	.	.	S	Bend	trans	52.6	54.7	177.7	-43.7	0	0	0	0	110.8	G8 R61	G8-T79 PolarHBondContact O-N 3.5Å; R61-T79 PolarHBondContact NH1-O 2.78Å; R61-T79 VanDerWaalsContact NH1-O 3.09Å
80	L	94.2	Very high	96.1	Very high	19 Å²	19	56 Å²	56	10%	0.099	30%	0.3	C	S	.	.			trans	-61.8	141.3	-178.8	-81	167.2	0	0	0	111.4	V4 G7 G8 L10 F62 M77 N78 D84	V4-L80 HydrophobicContact CB-CD1 4.28Å; V4-L80 HydrophobicContact CG1-CD1 4.36Å; G7-L80 PolarHBondContact N-O 3.05Å; G8-L80 WeakPolarHBondContact O-CB 3.47Å; G8-L80 PolarHBondContact O-N 2.8Å; L10-L80 HydrophobicContact CB-CD1 3.92Å; F62-L80 HydrophobicContact CE1-CD2 4.13Å; F62-L80 HydrophobicContact CZ-CD2 4.07Å; M77-L80 HydrophobicContact CB-CD2 3.86Å; M77-L80 HydrophobicContact CB-CG 4.2Å; M77-L80 HydrophobicContact CE-CD1 4.12Å; M77-L80 HydrophobicContact CE-CD2 3.81Å; M77-L80 HydrophobicContact SD-CD2 4.16Å; N78-L80 VanDerWaalsContact C-N 3.34Å; N78-L80 PolarHBondContact O-N 2.85Å; L80-D84 HydrophobicContact CD2-CB 3.82Å
81	R	93.7	Very high	96.1	Very high	126 Å²	126	52.3 Å²	52.3	48%	0.475	29%	0.289	S	S	.	.			trans	-116.4	161.3	177.5	-60.5	172.4	-178.8	177.6	-1.1	109.5	E83 D84	R81-E83 HydrophobicContact CB-CG 3.67Å; R81-E83 WeakPolarHBondContact CD-OE1 3.37Å; R81-E83 IonicContact CZ-OE1 2.83Å; R81-E83 IonicContact NE-OE1 2.91Å; R81-E83 IonicContact NH1-OE1 3.8Å; R81-E83 PolarHBondContact NH1-OE1 3.05Å; R81-E83 PolarHBondContact O-N 3.06Å; R81-D84 PolarHBondContact N-OD2 2.97Å; R81-D84 WeakPolarHBondContact O-CB 3.15Å; R81-D84 PolarHBondContact O-N 3.01Å
82	A	91.6	Very high	96	Very high	83 Å²	83	56.7 Å²	56.7	69%	0.686	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-58.4	-33.8	176.5	0	0	0	0	0	112.5	D84 S85	A82-D84 PolarHBondContact O-N 3.24Å; A82-S85 WeakPolarHBondContact O-CB 3.44Å; A82-S85 PolarHBondContact O-N 3.35Å; A82-S85 VanDerWaalsContact O-N 3.15Å
83	E	91.7	Very high	95.7	Very high	113 Å²	113	58.8 Å²	58.8	53%	0.528	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-64.3	-16.5	175.1	62	-170.9	-166.6	0	0	114.2	R81 S85	R81-E83 HydrophobicContact CB-CG 3.67Å; R81-E83 WeakPolarHBondContact CD-OE1 3.37Å; R81-E83 IonicContact CZ-OE1 2.83Å; R81-E83 IonicContact NE-OE1 2.91Å; R81-E83 IonicContact NH1-OE1 3.8Å; R81-E83 PolarHBondContact NH1-OE1 3.05Å; R81-E83 PolarHBondContact O-N 3.06Å; E83-S85 VanDerWaalsContact C-N 3.27Å
84	D	94.4	Very high	94.8	Very high	5 Å²	5	70.9 Å²	70.9	3%	0.027	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-84	-1.4	176.3	-58	-47.3	0	0	0	112.8	R30 R61 F62 L80 R81 A82 A86 Y88	R30-D84 IonicContact CZ-OD1 3.25Å; R30-D84 IonicContact NH1-OD1 3.76Å; R30-D84 PolarHBondContact NH1-OD1 2.81Å; R61-D84 IonicContact CZ-OD1 2.94Å; R61-D84 IonicContact CZ-OD2 2.83Å; R61-D84 IonicContact NH1-OD1 3.93Å; R61-D84 IonicContact NH1-OD2 3.95Å; R61-D84 PolarHBondContact NH1-OD2 2.99Å; R61-D84 IonicContact NH2-OD1 3.87Å; R61-D84 PolarHBondContact NH2-OD1 3.07Å; R61-D84 IonicContact NH2-OD2 2.79Å; R61-D84 PolarHBondContact NH2-OD2 3.4Å; F62-D84 HydrophobicContact CZ-CB 4.21Å; L80-D84 HydrophobicContact CD2-CB 3.82Å; R81-D84 PolarHBondContact N-OD2 2.97Å; R81-D84 WeakPolarHBondContact O-CB 3.15Å; R81-D84 PolarHBondContact O-N 3.01Å; A82-D84 PolarHBondContact O-N 3.24Å; D84-A86 PolarHBondContact O-N 3.42Å; D84-A86 VanDerWaalsContact O-N 3.16Å; D84-Y88 WeakPolarHBondContact O-CE2 3.42Å; D84-Y88 PolarHBondContact O-OH 3.24Å
85	S	94.6	Very high	94.6	Very high	89 Å²	89	71.3 Å²	71.3	62%	0.622	36%	0.363	S	S	*	.			trans	-70.4	108.8	175.2	-169.5	0	0	0	0	111	A82 E83	A82-S85 WeakPolarHBondContact O-CB 3.44Å; A82-S85 PolarHBondContact O-N 3.35Å; A82-S85 VanDerWaalsContact O-N 3.15Å; E83-S85 VanDerWaalsContact C-N 3.27Å
86	A	96.1	Very high	94.4	Very high	24 Å²	24	74.9 Å²	74.9	20%	0.198	38%	0.381	C	S	.	.	S	Bend	trans	-161.8	167.1	-175	0	0	0	0	0	110.7	R30 Q31 P32 D84 Y88	R30-A86 HydrophobicContact CB-CB 3.83Å; R30-A86 HydrophobicContact CG-CB 4.16Å; Q31-A86 WeakPolarHBondContact O-CB 3.4Å; P32-A86 HydrophobicContact CG-CB 4.39Å; D84-A86 PolarHBondContact O-N 3.42Å; D84-A86 VanDerWaalsContact O-N 3.16Å; A86-Y88 HydrophobicContact CB-CD2 4.48Å; A86-Y88 HydrophobicContact CB-CE2 4.01Å; A86-Y88 WeakPolarHBondContact O-CD2 3.37Å; A86-Y88 WeakPolarHBondContact O-CE2 3.47Å
87	T	97.2	Very high	94.2	Very high	79 Å²	79	75.6 Å²	75.6	49%	0.485	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.4	162.2	-55.8	0	0	0	0	108.9	R30 Q31 Y89	R30-T87 CarbonylContact C-O 3.46Å; R30-T87 VanDerWaalsContact CA-O 3.24Å; R30-T87 WeakPolarHBondContact CA-O 3.47Å; Q31-T87 PolarHBondContact N-O 2.99Å; Q31-T87 PolarHBondContact O-N 2.74Å; T87-Y89 HydrophobicContact CG2-CE1 3.81Å; T87-Y89 HydrophobicContact CG2-CE2 3.76Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.35Å
88	Y	97.6	Very high	94	Very high	42 Å²	42	79.6 Å²	79.6	17%	0.165	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.5	-178.4	-72.6	-104.3	0	0	0	110.6	L12 R30 L40 F62 L75 M77 D84 A86	L12-Y88 HydrophobicContact CD1-CD1 3.87Å; L12-Y88 HydrophobicContact CD1-CD2 4.07Å; L12-Y88 HydrophobicContact CD1-CG 3.58Å; R30-Y88 HydrophobicContact CB-CD1 4.03Å; R30-Y88 HydrophobicContact CB-CE1 3.99Å; R30-Y88 HydrophobicContact CB-CG 4.33Å; L40-Y88 HydrophobicContact CD1-CD1 3.79Å; L40-Y88 HydrophobicContact CD1-CE1 3.49Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.49Å; F62-Y88 HydrophobicContact CE2-CE1 4.3Å; L75-Y88 HydrophobicContact CD2-CD1 3.9Å; L75-Y88 HydrophobicContact CD2-CE1 4.02Å; M77-Y88 HydrophobicContact SD-CD1 4.45Å; M77-Y88 HydrophobicContact SD-CE1 3.78Å; D84-Y88 WeakPolarHBondContact O-CE2 3.42Å; D84-Y88 PolarHBondContact O-OH 3.24Å; A86-Y88 HydrophobicContact CB-CD2 4.48Å; A86-Y88 HydrophobicContact CB-CE2 4.01Å; A86-Y88 WeakPolarHBondContact O-CD2 3.37Å; A86-Y88 WeakPolarHBondContact O-CE2 3.47Å
89	Y	97.7	Very high	93.9	Very high	101 Å²	101	81.3 Å²	81.3	40%	0.396	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.4	-179.5	-53.7	-83.6	0	0	0	109.6	W28 V29 Q31 L37 T87	W28-Y89 WeakPolarHBondContact CA-O 3.3Å; V29-Y89 PolarHBondContact N-O 2.96Å; V29-Y89 PolarHBondContact O-N 2.83Å; Q31-Y89 HydrophobicContact CB-CE2 3.83Å; Q31-Y89 PolarHBondContact OE1-OH 3.04Å; L37-Y89 HydrophobicContact CD2-CD2 3.97Å; L37-Y89 HydrophobicContact CD2-CE2 4Å; T87-Y89 HydrophobicContact CG2-CE1 3.81Å; T87-Y89 HydrophobicContact CG2-CE2 3.76Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.35Å
90	C	96.9	Very high	94	Very high	47 Å²	47	81.1 Å²	81.1	32%	0.318	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	143.8	163.1	51.7	0	0	0	0	109.3	C14 S27 W28 L73	C14-C90 HydrophobicContact CB-CB 3.44Å; C14-C90 VanDerWaalsContact CB-CB 3.44Å; C14-C90 WeakPolarHBondContact CB-SG 3.41Å; C14-C90 WeakPolarHBondContact SG-CB 3.5Å; C14-C90 CovalentContact SG-SG 2.01Å; C14-C90 PolarHBondContact SG-SG 3.32Å; S27-C90 CarbonylContact O-C 3.54Å; S27-C90 VanDerWaalsContact O-CA 3.28Å; S27-C90 WeakPolarHBondContact O-CA 3.42Å; W28-C90 HydrophobicContact CE3-CB 4.49Å; W28-C90 HydrophobicContact CH2-CB 4.45Å; W28-C90 HydrophobicContact CZ3-CB 4.36Å; L73-C90 HydrophobicContact CD2-CB 3.98Å
91	A	97.1	Very high	94	Very high	36 Å²	36	85.6 Å²	85.6	30%	0.298	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.1	178	0	0	0	0	0	110.5	S27	S27-A91 PolarHBondContact N-O 3.36Å; S27-A91 PolarHBondContact O-N 3.49Å
92	R	96.1	Very high	94	Very high	127 Å²	127	82.5 Å²	82.5	48%	0.479	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.2	167.8	-176.9	-175.2	70.4	-167	1.3	109	F19 Y24 M26	F19-R92 VanDerWaalsContact CD2-CD 3.46Å; F19-R92 HydrophobicContact CD2-CG 4.19Å; F19-R92 HydrophobicContact CE1-CB 4.45Å; F19-R92 HydrophobicContact CE2-CB 4.29Å; F19-R92 HydrophobicContact CE2-CG 3.81Å; F19-R92 HydrophobicContact CZ-CB 4.02Å; F19-R92 HydrophobicContact CZ-CG 4.06Å; Y24-R92 HydrophobicContact CD1-CG 3.76Å; Y24-R92 HydrophobicContact CD2-CG 4.22Å; Y24-R92 HydrophobicContact CE1-CG 4.43Å; Y24-R92 HydrophobicContact CG-CG 3.6Å; M26-R92 HydrophobicContact SD-CB 4.38Å; M26-R92 HydrophobicContact SD-CG 4.47Å
93	L	91.4	Very high	94.2	Very high	72 Å²	72	82.4 Å²	82.4	38%	0.377	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	171.7	170.2	-70.4	178.7	0	0	0	109.8	Y24 Y25 F42	Y24-L93 VanDerWaalsContact CB-O 3.31Å; Y24-L93 WeakPolarHBondContact CB-O 3.36Å; Y24-L93 WeakPolarHBondContact CD1-O 3.39Å; Y25-L93 PolarHBondContact N-O 2.64Å; Y25-L93 PolarHBondContact O-N 3.47Å; F42-L93 HydrophobicContact CB-CD1 4.18Å; F42-L93 HydrophobicContact CD1-CD1 4.42Å; F42-L93 HydrophobicContact CG-CD1 4.47Å
94	W	79.7	Confident	94.4	Very high	254 Å²	254	79.6 Å²	79.6	96%	0.962	39%	0.393	S	S	*	.			trans	-58.6	0	177.4	-106.1	87.9	0	0	0	113.3	Y25	Y25-W94 WeakPolarHBondContact CB-O 3.5Å; Y25-W94 WeakPolarHBondContact CD1-O 3.37Å; Y25-W94 WeakPolarHBondContact CD2-O 3.4Å; Y25-W94 PolarHBondContact N-O 2.83Å

Retrieved 94 of 94 residues in 25.7 ms (Link to these results)

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