X5J5K2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5K2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 89 aa.

						>X5J5K2_MOUSE|X5J5K2
AELMKPGASVKLSCKATGYTFTGYWIEWVKQRPGRGLEWIGEILPGSGSANYNEKFKGKATFTADTSSNTAYMQLSSLTSEDSAIYYCA
					

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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	A	67.8	Low	88.9	Confident	162 Å²	162	99.9 Å²	99.9	100%	1.339	59%	0.594	S	S	*	*				0	132.6	0	0	0	0	0	0	107.5
2	E	77.3	Confident	89.6	Confident	125 Å²	125	95.1 Å²	95.1	58%	0.584	56%	0.562	S	S	*	*			trans	-110.2	122.5	-176	-172.9	166.2	-171	0	0	108.7	M4 V10	E2-M4 HydrophobicContact CG-CE 3.56Å; E2-M4 HydrophobicContact CG-CG 4.16Å; E2-M4 HydrophobicContact CG-SD 4.14Å; E2-V10 HydrophobicContact CG-CG2 4.44Å; E2-V10 VanDerWaalsContact OE2-CG2 3.25Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.46Å
3	L	86	Confident	90.2	Very high	168 Å²	168	94.4 Å²	94.4	88%	0.88	57%	0.565	S	S	*	*			trans	-101.7	115	179.7	-175.1	71.5	0	0	0	108.8
4	M	88.8	Confident	90.7	Very high	75 Å²	75	88.6 Å²	88.6	37%	0.369	53%	0.532	S	S	.	.			trans	-111	150.1	-175.8	-64.6	-73.5	92.3	0	0	111.3	E2 A8 V10 L78	E2-M4 HydrophobicContact CG-CE 3.56Å; E2-M4 HydrophobicContact CG-CG 4.16Å; E2-M4 HydrophobicContact CG-SD 4.14Å; M4-A8 HydrophobicContact CB-CB 4.48Å; M4-V10 HydrophobicContact CG-CB 4.26Å; M4-V10 HydrophobicContact CG-CG2 4.48Å; M4-V10 HydrophobicContact SD-CB 4.41Å; M4-L78 HydrophobicContact CB-CD1 3.73Å; M4-L78 HydrophobicContact CG-CD1 3.93Å
5	K	89.3	Confident	91.2	Very high	171 Å²	171	92.8 Å²	92.8	74%	0.743	54%	0.54	S	S	*	.			trans	-72.9	147.4	170.8	-66.2	-179.5	-178.5	179	0	109.9	G7 A8	K5-G7 PolarHBondContact O-N 3Å; K5-A8 WeakPolarHBondContact O-CB 3.35Å; K5-A8 PolarHBondContact O-N 3.3Å; K5-A8 VanDerWaalsContact O-N 3.1Å
6	P	91.5	Very high	91.4	Very high	121 Å²	121	87.4 Å²	87.4	79%	0.786	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	139.3	169.5	-25.1	34.4	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3.29Å
7	G	92.9	Very high	91.5	Very high	52 Å²	52	89 Å²	89	54%	0.536	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-10.3	-177.1	0	0	0	0	0	115.2	K5 L78	K5-G7 PolarHBondContact O-N 3Å; G7-L78 PolarHBondContact N-O 3Å
8	A	95.5	Very high	91.5	Very high	33 Å²	33	88.9 Å²	88.9	27%	0.273	54%	0.543	S	S	.	.			trans	-67.5	172	174.2	0	0	0	0	0	111.7	M4 K5 P6 S77 L78	M4-A8 HydrophobicContact CB-CB 4.48Å; K5-A8 WeakPolarHBondContact O-CB 3.35Å; K5-A8 PolarHBondContact O-N 3.3Å; K5-A8 VanDerWaalsContact O-N 3.1Å; P6-A8 PolarHBondContact O-N 3.29Å; A8-S77 PolarHBondContact O-N 2.92Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 2.83Å
9	S	95.9	Very high	91.4	Very high	60 Å²	60	88.6 Å²	88.6	42%	0.42	53%	0.531	S	S	.	.			trans	-117.1	148.8	170	-57.3	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.36Å; S9-L75 WeakPolarHBondContact CB-O 3.21Å; S9-S76 WeakPolarHBondContact OG-CA 3.34Å
10	V	95.8	Very high	91.6	Very high	15 Å²	15	89 Å²	89	9%	0.091	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.4	175.6	65.8	0	0	0	0	109.8	E2 M4 L12 Q74 L75 L78	E2-V10 HydrophobicContact CG-CG2 4.44Å; E2-V10 VanDerWaalsContact OE2-CG2 3.25Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.46Å; M4-V10 HydrophobicContact CG-CB 4.26Å; M4-V10 HydrophobicContact CG-CG2 4.48Å; M4-V10 HydrophobicContact SD-CB 4.41Å; V10-L12 HydrophobicContact CG2-CD2 4.39Å; V10-Q74 CarbonylContact O-C 3.6Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.35Å; V10-L75 HydrophobicContact CG1-CB 4.04Å; V10-L75 HydrophobicContact CG1-CD1 4.43Å; V10-L75 PolarHBondContact N-O 3.28Å; V10-L75 PolarHBondContact O-N 2.99Å; V10-L78 HydrophobicContact CB-CD1 4.05Å; V10-L78 HydrophobicContact CG1-CD1 3.82Å; V10-L78 HydrophobicContact CG1-CD2 4.17Å
11	K	97.1	Very high	91.8	Very high	117 Å²	117	84.9 Å²	84.9	51%	0.509	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	111.1	175.4	-174.5	177.5	179.5	-178.4	0	109.4	Y72	K11-Y72 HydrophobicContact CD-CD1 4.36Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å
12	L	97.2	Very high	93.2	Very high	42 Å²	42	79.9 Å²	79.9	22%	0.22	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.6	175.8	-60.8	171.1	0	0	0	109.4	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.39Å; L12-W28 HydrophobicContact CB-CH2 4.15Å; L12-W28 HydrophobicContact CB-CZ3 3.95Å; L12-Y72 CarbonylContact O-C 3.49Å; L12-Y72 WeakPolarHBondContact O-CA 3.39Å; L12-Y72 WeakPolarHBondContact O-CB 3.43Å; L12-M73 HydrophobicContact CD1-CE 3.53Å; L12-M73 PolarHBondContact N-O 2.83Å; L12-M73 PolarHBondContact O-N 3.27Å; L12-Y86 HydrophobicContact CD1-CD1 4.1Å; L12-Y86 HydrophobicContact CD1-CD2 4.08Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å
13	S	97.7	Very high	94.1	Very high	86 Å²	86	76.4 Å²	76.4	60%	0.601	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.9	176.9	62.1	0	0	0	0	111.2	A71 Y72	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.35Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å
14	C	97.4	Very high	94.6	Very high	14 Å²	14	75 Å²	75	10%	0.095	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	109.4	177.3	179.8	0	0	0	0	108.7	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.64Å; C14-W28 HydrophobicContact CB-CZ2 3.82Å; C14-W28 HydrophobicContact CB-CZ3 4.47Å; C14-T70 CarbonylContact O-C 3.52Å; C14-T70 VanDerWaalsContact O-CA 3.31Å; C14-T70 WeakPolarHBondContact O-CA 3.05Å; C14-A71 HydrophobicContact CB-CB 4.42Å; C14-A71 PolarHBondContact N-O 3.38Å; C14-A71 PolarHBondContact O-N 3.21Å; C14-C88 HydrophobicContact CB-CB 3.54Å; C14-C88 WeakPolarHBondContact CB-SG 3.36Å; C14-C88 WeakPolarHBondContact SG-CB 3.48Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.82Å
15	K	97.2	Very high	95	Very high	151 Å²	151	76 Å²	76	66%	0.657	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.3	-179.3	-173.6	173.5	-176.5	176.7	0	110.4
16	A	95.2	Very high	95.4	Very high	7 Å²	7	67.9 Å²	67.9	6%	0.058	41%	0.408	C	S	.	.			trans	-87.6	142.8	177.6	0	0	0	0	0	111.6	Y19 F21 N69	A16-Y19 HydrophobicContact CB-CE1 3.67Å; A16-Y19 HydrophobicContact CB-CE2 4.21Å; A16-Y19 VanDerWaalsContact CB-CZ 3.43Å; A16-Y19 WeakPolarHBondContact CB-OH 3.36Å; A16-F21 HydrophobicContact CB-CB 4.3Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.01Å; A16-F21 HydrophobicContact CB-CG 4.17Å; A16-N69 HydrophobicContact CB-CB 4.47Å; A16-N69 PolarHBondContact N-O 3.21Å
17	T	93.8	Very high	95.7	Very high	114 Å²	114	65.8 Å²	65.8	70%	0.699	39%	0.388	S	S	*	.			trans	-143.6	148.8	172.5	59.8	0	0	0	0	109.9	Y19	T17-Y19 WeakPolarHBondContact O-CD1 3.49Å
18	G	91.1	Very high	96	Very high	88 Å²	88	63.6 Å²	63.6	91%	0.907	36%	0.364	S	S	*	.	S	Bend	trans	86.2	6.4	174.4	0	0	0	0	0	116.4
19	Y	90.2	Very high	96.1	Very high	82 Å²	82	63 Å²	63	32%	0.322	36%	0.356	S	S	.	.	S	Bend	trans	-152.6	169.7	175.7	64.6	-84	0	0	0	112.5	A16 T17 F21 Y24 I26	A16-Y19 HydrophobicContact CB-CE1 3.67Å; A16-Y19 HydrophobicContact CB-CE2 4.21Å; A16-Y19 VanDerWaalsContact CB-CZ 3.43Å; A16-Y19 WeakPolarHBondContact CB-OH 3.36Å; T17-Y19 WeakPolarHBondContact O-CD1 3.49Å; Y19-F21 PolarHBondContact O-N 3.39Å; Y19-Y24 AromaticContact CD2-CD2 3.55Å; Y19-Y24 HydrophobicContact CD2-CD2 3.55Å; Y19-Y24 HydrophobicContact CD2-CE2 4.11Å; Y19-Y24 HydrophobicContact CD2-CG 4.04Å; Y19-Y24 HydrophobicContact CE2-CD2 4.15Å; Y19-Y24 HydrophobicContact CE2-CG 4.25Å; Y19-I26 HydrophobicContact CE2-CD1 4.36Å; Y19-I26 VanDerWaalsContact OH-CD1 3.3Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.49Å
20	T	94.3	Very high	96.1	Very high	97 Å²	97	60.4 Å²	60.4	60%	0.595	34%	0.337	S	S	*	.			trans	-74.3	83.2	177.3	-52.2	0	0	0	0	110.6	T22 G23 Y24	T20-T22 PolarHBondContact O-N 2.79Å; T20-G23 PolarHBondContact O-N 2.91Å; T20-Y24 WeakPolarHBondContact O-CD2 3.23Å
21	F	96.1	Very high	96.2	Very high	3 Å²	3	62.9 Å²	62.9	1%	0.013	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-45.2	-38.7	-175.5	175.8	-112.5	0	0	0	114.9	A16 Y19 G23 I26 P45 A64 N69 A71	A16-F21 HydrophobicContact CB-CB 4.3Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.01Å; A16-F21 HydrophobicContact CB-CG 4.17Å; Y19-F21 PolarHBondContact O-N 3.39Å; F21-G23 VanDerWaalsContact C-N 3.26Å; F21-G23 PolarHBondContact O-N 2.86Å; F21-I26 HydrophobicContact CD2-CD1 4.01Å; F21-I26 HydrophobicContact CD2-CG1 4.31Å; F21-I26 HydrophobicContact CE2-CD1 3.86Å; F21-I26 HydrophobicContact CE2-CG1 3.73Å; F21-I26 HydrophobicContact CZ-CG1 4.49Å; F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.07Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.39Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CB 4.45Å; F21-P45 HydrophobicContact CE2-CG 3.76Å; F21-P45 HydrophobicContact CG-CB 4.5Å; F21-P45 HydrophobicContact CG-CG 4.33Å; F21-P45 HydrophobicContact CZ-CB 3.76Å; F21-P45 HydrophobicContact CZ-CG 3.47Å; F21-P45 VanDerWaalsContact CZ-CG 3.47Å; F21-P45 WeakPolarHBondContact O-CG 3.36Å; F21-A64 HydrophobicContact CE1-CB 4.21Å; F21-A64 HydrophobicContact CZ-CB 4.15Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 WeakPolarHBondContact CB-OD1 3.16Å; F21-N69 HydrophobicContact CD1-CB 4.09Å; F21-N69 HydrophobicContact CD2-CB 4.49Å; F21-N69 HydrophobicContact CG-CB 3.93Å; F21-A71 HydrophobicContact CE2-CB 4.16Å; F21-A71 HydrophobicContact CZ-CB 3.97Å
22	T	97.1	Very high	96.1	Very high	57 Å²	57	58.9 Å²	58.9	35%	0.35	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-68.4	-20.4	-179	52.3	0	0	0	0	114.7	T20 G46 T66	T20-T22 PolarHBondContact O-N 2.79Å; T22-G46 VanDerWaalsContact O-CA 3.25Å; T22-G46 WeakPolarHBondContact O-CA 3.36Å; T22-G46 PolarHBondContact O-N 2.99Å; T22-T66 HydrophobicContact CG2-CG2 3.69Å
23	G	96.3	Very high	95.9	Very high	52 Å²	52	62.8 Å²	62.8	54%	0.536	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-99.1	-1	-175.2	0	0	0	0	0	115.3	T20 F21	T20-G23 PolarHBondContact O-N 2.91Å; F21-G23 VanDerWaalsContact C-N 3.26Å; F21-G23 PolarHBondContact O-N 2.86Å
24	Y	96.1	Very high	95.7	Very high	138 Å²	138	63 Å²	63	54%	0.541	37%	0.374	S	S	.	.	S	Bend	trans	-121.1	140.8	-178.2	-69.2	-93.1	0	0	0	110.9	Y19 T20 P45	Y19-Y24 AromaticContact CD2-CD2 3.55Å; Y19-Y24 HydrophobicContact CD2-CD2 3.55Å; Y19-Y24 HydrophobicContact CD2-CE2 4.11Å; Y19-Y24 HydrophobicContact CD2-CG 4.04Å; Y19-Y24 HydrophobicContact CE2-CD2 4.15Å; Y19-Y24 HydrophobicContact CE2-CG 4.25Å; T20-Y24 WeakPolarHBondContact O-CD2 3.23Å; Y24-P45 WeakPolarHBondContact O-CD 3.37Å
25	W	97.8	Very high	95.5	Very high	96 Å²	96	69 Å²	69	36%	0.364	39%	0.394	S	S	.	.			trans	-65.8	134.9	168.5	-69.2	96.1	0	0	0	109.3	E42 L44 S49	W25-E42 HydrophobicContact CD2-CG 4.32Å; W25-E42 HydrophobicContact CE3-CB 4.02Å; W25-E42 HydrophobicContact CE3-CG 3.5Å; W25-E42 HydrophobicContact CZ3-CG 3.9Å; W25-L44 HydrophobicContact CD2-CB 3.77Å; W25-L44 HydrophobicContact CD2-CD1 4.42Å; W25-L44 HydrophobicContact CE3-CB 3.67Å; W25-L44 HydrophobicContact CG-CD1 4.43Å; W25-L44 HydrophobicContact CH2-CB 3.7Å; W25-L44 HydrophobicContact CZ2-CB 3.78Å; W25-L44 HydrophobicContact CZ2-CD2 4Å; W25-L44 HydrophobicContact CZ2-CG 4.45Å; W25-L44 HydrophobicContact CZ3-CB 3.65Å; W25-L44 VanDerWaalsContact CZ3-N 3.3Å; W25-S49 VanDerWaalsContact CZ3-O 3.25Å; W25-S49 WeakPolarHBondContact CZ3-O 3.32Å
26	I	97.9	Very high	95.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.4	172	-51.1	-60.1	0	0	0	107.4	Y19 F21 E42 I43 P45 A71 C88 A89	Y19-I26 HydrophobicContact CE2-CD1 4.36Å; Y19-I26 VanDerWaalsContact OH-CD1 3.3Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.49Å; F21-I26 HydrophobicContact CD2-CD1 4.01Å; F21-I26 HydrophobicContact CD2-CG1 4.31Å; F21-I26 HydrophobicContact CE2-CD1 3.86Å; F21-I26 HydrophobicContact CE2-CG1 3.73Å; F21-I26 HydrophobicContact CZ-CG1 4.49Å; I26-E42 WeakPolarHBondContact O-CA 3.09Å; I26-E42 WeakPolarHBondContact O-CB 3.17Å; I26-I43 HydrophobicContact CB-CG2 4.26Å; I26-I43 PolarHBondContact N-O 2.96Å; I26-I43 PolarHBondContact O-N 2.68Å; I26-P45 HydrophobicContact CG1-CG 3.86Å; I26-A71 HydrophobicContact CB-CB 4.19Å; I26-A71 HydrophobicContact CG1-CB 4.22Å; I26-A71 HydrophobicContact CG2-CB 3.86Å; I26-C88 HydrophobicContact CG2-CB 4.29Å; I26-A89 CarbonylContact C-O 3.59Å; I26-A89 WeakPolarHBondContact CA-O 3.38Å
27	E	98	Very high	95.4	Very high	78 Å²	78	69.5 Å²	69.5	36%	0.364	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	146.7	-179.3	-64.1	-172.3	-177.7	0	0	110.8	E42 C88 A89	E27-E42 HydrophobicContact CG-CB 4.16Å; E27-C88 WeakPolarHBondContact O-CA 3.25Å; E27-A89 PolarHBondContact N-O 3.46Å; E27-A89 PolarHBondContact O-N 2.62Å; E27-A89 VanDerWaalsContact O-N 3.15Å
28	W	98.4	Very high	95.5	Very high	6 Å²	6	65.8 Å²	65.8	2%	0.023	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.4	172.1	-69	91.6	0	0	0	110.2	L12 C14 I40 G41 F62 A71 M73 C88	L12-W28 HydrophobicContact CB-CH2 4.15Å; L12-W28 HydrophobicContact CB-CZ3 3.95Å; C14-W28 HydrophobicContact CB-CH2 3.64Å; C14-W28 HydrophobicContact CB-CZ2 3.82Å; C14-W28 HydrophobicContact CB-CZ3 4.47Å; W28-I40 HydrophobicContact CB-CB 4.23Å; W28-I40 HydrophobicContact CB-CD1 4.39Å; W28-I40 WeakPolarHBondContact O-CB 2.96Å; W28-I40 PolarHBondContact O-N 2.83Å; W28-G41 PolarHBondContact N-O 3.09Å; W28-F62 HydrophobicContact CB-CE1 4.19Å; W28-F62 AromaticContact CD1-CD1 3.72Å; W28-F62 AromaticContact CD1-CE1 3.73Å; W28-F62 HydrophobicContact CG-CD1 4.37Å; W28-F62 HydrophobicContact CG-CE1 4.04Å; W28-A71 HydrophobicContact CZ2-CB 4.28Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.34Å; W28-M73 HydrophobicContact CD2-CG 4.48Å; W28-M73 HydrophobicContact CD2-SD 4.2Å; W28-M73 HydrophobicContact CE3-CB 3.9Å; W28-M73 HydrophobicContact CE3-CE 3.86Å; W28-M73 HydrophobicContact CE3-SD 4.32Å; W28-M73 HydrophobicContact CG-CB 4.12Å; W28-M73 HydrophobicContact CG-SD 4.04Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.13Å; W28-M73 HydrophobicContact CZ3-CE 4.46Å; W28-C88 HydrophobicContact CD2-CB 4.43Å; W28-C88 HydrophobicContact CE3-CB 4.2Å; W28-C88 HydrophobicContact CH2-CB 4.38Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å
29	V	98.1	Very high	95.9	Very high	19 Å²	19	65.6 Å²	65.6	12%	0.115	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.1	-175.5	-175	0	0	0	0	109.3	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.67Å; V29-L37 HydrophobicContact CG1-CD1 4.44Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.17Å; V29-E38 WeakPolarHBondContact CA-O 3.14Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; V29-Y87 PolarHBondContact N-O 3.48Å; V29-Y87 PolarHBondContact O-N 2.94Å
30	K	96.6	Very high	96.2	Very high	6 Å²	6	61.7 Å²	61.7	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.3	169.3	73	178.3	-159.8	-165.9	0	112	R32 E38 I40 F56 A84 I85 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.11Å; K30-E38 WeakPolarHBondContact CE-OE2 3.36Å; K30-E38 HydrophobicContact CG-CB 3.82Å; K30-E38 PolarHBondContact N-O 2.86Å; K30-E38 IonicContact NZ-OE2 2.82Å; K30-E38 PolarHBondContact O-N 3.16Å; K30-I40 HydrophobicContact CB-CD1 4.09Å; K30-I40 HydrophobicContact CG-CD1 4.49Å; K30-I40 HydrophobicContact CG-CG1 4.48Å; K30-F56 HydrophobicContact CD-CE1 3.79Å; K30-F56 HydrophobicContact CD-CZ 3.67Å; K30-F56 HydrophobicContact CG-CZ 4.28Å; K30-A84 HydrophobicContact CB-CB 4.07Å; K30-I85 CarbonylContact C-O 3.52Å; K30-I85 WeakPolarHBondContact CA-O 3.25Å; K30-Y86 HydrophobicContact CB-CD1 3.76Å; K30-Y86 HydrophobicContact CB-CE1 3.61Å; K30-Y86 HydrophobicContact CD-CE1 4.41Å
31	Q	96.9	Very high	96.4	Very high	67 Å²	67	57.1 Å²	57.1	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.1	173.2	-165.9	179.5	28.6	0	0	110.3	L37 A84 I85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 4.09Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 WeakPolarHBondContact O-CB 3.3Å; Q31-I85 PolarHBondContact N-O 3.06Å; Q31-I85 PolarHBondContact O-N 2.89Å; Q31-Y87 HydrophobicContact CB-CE2 3.87Å; Q31-Y87 PolarHBondContact OE1-OH 2.62Å
32	R	95.2	Very high	96.5	Very high	33 Å²	33	58.5 Å²	58.5	13%	0.125	33%	0.325	C	S	.	.			trans	-87.4	149.5	170.6	-65.2	-178.1	-175.8	165.9	11.4	109.8	K30 G34 R35 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.11Å; R32-G34 PolarHBondContact O-N 2.77Å; R32-R35 HydrophobicContact CB-CB 4.1Å; R32-R35 HydrophobicContact CB-CG 4.32Å; R32-R35 PolarHBondContact O-N 2.58Å; R32-E81 IonicContact CZ-OE2 3.21Å; R32-E81 PolarHBondContact NE-O 3.46Å; R32-E81 IonicContact NH1-OE2 2.58Å; R32-E81 PolarHBondContact NH1-OE2 3.17Å; R32-E81 VanDerWaalsContact NH2-CB 3.28Å; R32-E81 PolarHBondContact NH2-O 3.23Å; R32-E81 IonicContact NH2-OE2 2.89Å; R32-E81 PolarHBondContact NH2-OE2 2.83Å; R32-A84 HydrophobicContact CG-CB 4.08Å
33	P	93.1	Very high	96.6	Very high	124 Å²	124	56 Å²	56	81%	0.805	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	129.6	173	-25.6	34.4	0	0	0	111.5	R35	P33-R35 PolarHBondContact O-N 3.07Å
34	G	93.6	Very high	96.7	Very high	92 Å²	92	55.2 Å²	55.2	95%	0.948	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	8.8	-178.9	0	0	0	0	0	115.4	R32	R32-G34 PolarHBondContact O-N 2.77Å
35	R	93	Very high	96.8	Very high	138 Å²	138	49.1 Å²	49.1	52%	0.521	27%	0.27	S	S	.	.	S	Bend	trans	-119.7	159.1	174.8	-69.5	-172.6	160.3	-162.1	-1.1	111.8	R32 P33 E38	R32-R35 HydrophobicContact CB-CB 4.1Å; R32-R35 HydrophobicContact CB-CG 4.32Å; R32-R35 PolarHBondContact O-N 2.58Å; P33-R35 PolarHBondContact O-N 3.07Å; R35-E38 IonicContact NH1-OE1 3.64Å
36	G	93.9	Very high	96.8	Very high	54 Å²	54	47 Å²	47	56%	0.557	28%	0.278	S	S	*	.			trans	-69.2	177.5	171.5	0	0	0	0	0	112.8
37	L	96.1	Very high	96.7	Very high	116 Å²	116	50.2 Å²	50.2	61%	0.607	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	131	172.1	-66.8	-180	0	0	0	110.3	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.67Å; V29-L37 HydrophobicContact CG1-CD1 4.44Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.17Å; Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 4.09Å; L37-Y87 HydrophobicContact CD2-CD2 4.43Å; L37-Y87 HydrophobicContact CD2-CE2 4.5Å
38	E	96.8	Very high	96.6	Very high	36 Å²	36	48.9 Å²	48.9	17%	0.168	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	111.3	173.8	-66.6	-178.1	-137.3	0	0	108.7	V29 K30 R35	V29-E38 WeakPolarHBondContact CA-O 3.14Å; K30-E38 WeakPolarHBondContact CE-OE2 3.36Å; K30-E38 HydrophobicContact CG-CB 3.82Å; K30-E38 PolarHBondContact N-O 2.86Å; K30-E38 IonicContact NZ-OE2 2.82Å; K30-E38 PolarHBondContact O-N 3.16Å; R35-E38 IonicContact NH1-OE1 3.64Å
39	W	97.9	Very high	96.6	Very high	84 Å²	84	51.4 Å²	51.4	32%	0.318	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.3	176.1	-178.3	84.1	0	0	0	110.8	G41 E42 N51 N53	W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-E42 HydrophobicContact CZ2-CB 4.31Å; W39-E42 HydrophobicContact CZ2-CG 3.95Å; W39-N51 HydrophobicContact CH2-CB 4.19Å; W39-N53 HydrophobicContact CE3-CB 3.67Å; W39-N53 HydrophobicContact CZ3-CB 3.78Å; W39-N53 VanDerWaalsContact CZ3-N 3.34Å; W39-N53 WeakPolarHBondContact O-CB 3.09Å; W39-N53 PolarHBondContact O-ND2 3.02Å
40	I	98.2	Very high	96.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-43	-177.5	-55.8	175.1	0	0	0	110	W28 K30 N53 F56 A60 F62 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.23Å; W28-I40 HydrophobicContact CB-CD1 4.39Å; W28-I40 WeakPolarHBondContact O-CB 2.96Å; W28-I40 PolarHBondContact O-N 2.83Å; K30-I40 HydrophobicContact CB-CD1 4.09Å; K30-I40 HydrophobicContact CG-CD1 4.49Å; K30-I40 HydrophobicContact CG-CG1 4.48Å; I40-N53 WeakPolarHBondContact O-CB 3.34Å; I40-N53 PolarHBondContact O-N 3.29Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.35Å; I40-F56 HydrophobicContact CG1-CD2 4.45Å; I40-F56 HydrophobicContact CG1-CE1 4.13Å; I40-F56 HydrophobicContact CG1-CE2 4.21Å; I40-F56 HydrophobicContact CG1-CG 4.49Å; I40-F56 HydrophobicContact CG1-CZ 4.03Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 3.87Å; I40-F56 HydrophobicContact CG2-CD2 4.13Å; I40-F56 HydrophobicContact CG2-CE1 4.48Å; I40-F56 HydrophobicContact CG2-CG 3.64Å; I40-A60 HydrophobicContact CG2-CB 3.86Å; I40-F62 HydrophobicContact CG2-CE1 4.26Å; I40-F62 HydrophobicContact CG2-CZ 3.94Å; I40-M73 HydrophobicContact CD1-CE 3.79Å; I40-M73 HydrophobicContact CD1-SD 3.71Å; I40-M73 HydrophobicContact CG2-SD 3.89Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.72Å
41	G	98.3	Very high	96.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-175.1	-173.9	0	0	0	0	0	111.6	W28 W39 N51	W28-G41 PolarHBondContact N-O 3.09Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; G41-N51 CarbonylContact C-O 3.6Å; G41-N51 WeakPolarHBondContact CA-O 3.37Å
42	E	98.4	Very high	96.7	Very high	32 Å²	32	55.7 Å²	55.7	15%	0.15	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.8	-177.8	62.7	-177.1	176	0	0	111.3	W25 I26 E27 W39 A50 N51	W25-E42 HydrophobicContact CD2-CG 4.32Å; W25-E42 HydrophobicContact CE3-CB 4.02Å; W25-E42 HydrophobicContact CE3-CG 3.5Å; W25-E42 HydrophobicContact CZ3-CG 3.9Å; I26-E42 WeakPolarHBondContact O-CA 3.09Å; I26-E42 WeakPolarHBondContact O-CB 3.17Å; E27-E42 HydrophobicContact CG-CB 4.16Å; W39-E42 HydrophobicContact CZ2-CB 4.31Å; W39-E42 HydrophobicContact CZ2-CG 3.95Å; E42-A50 CarbonylContact O-C 3.56Å; E42-A50 WeakPolarHBondContact O-CA 3.18Å; E42-N51 HydrophobicContact CG-CB 3.91Å; E42-N51 PolarHBondContact N-O 3.15Å; E42-N51 PolarHBondContact O-N 2.98Å; E42-N51 PolarHBondContact OE1-ND2 2.84Å
43	I	98.6	Very high	96.8	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.4	173.5	-175.1	168.9	0	0	0	110.3	I26 P45 S49 F62 A64	I26-I43 HydrophobicContact CB-CG2 4.26Å; I26-I43 PolarHBondContact N-O 2.96Å; I26-I43 PolarHBondContact O-N 2.68Å; I43-P45 WeakPolarHBondContact O-CD 3.16Å; I43-S49 CarbonylContact C-O 3.52Å; I43-S49 WeakPolarHBondContact CA-O 2.96Å; I43-F62 HydrophobicContact CB-CB 3.91Å; I43-F62 HydrophobicContact CD1-CB 4.02Å; I43-F62 HydrophobicContact CG1-CB 4.5Å; I43-F62 HydrophobicContact CG2-CB 4.17Å; I43-A64 HydrophobicContact CD1-CB 4.22Å
44	L	98.2	Very high	97	Very high	35 Å²	35	56.6 Å²	56.6	18%	0.183	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	105.5	168.2	-176.4	59	0	0	0	108.4	W25 G46 S47 G48 S49	W25-L44 HydrophobicContact CD2-CB 3.77Å; W25-L44 HydrophobicContact CD2-CD1 4.42Å; W25-L44 HydrophobicContact CE3-CB 3.67Å; W25-L44 HydrophobicContact CG-CD1 4.43Å; W25-L44 HydrophobicContact CH2-CB 3.7Å; W25-L44 HydrophobicContact CZ2-CB 3.78Å; W25-L44 HydrophobicContact CZ2-CD2 4Å; W25-L44 HydrophobicContact CZ2-CG 4.45Å; W25-L44 HydrophobicContact CZ3-CB 3.65Å; W25-L44 VanDerWaalsContact CZ3-N 3.3Å; L44-G46 PolarHBondContact O-N 2.82Å; L44-S47 PolarHBondContact O-N 2.86Å; L44-G48 WeakPolarHBondContact O-CA 3.37Å; L44-G48 PolarHBondContact O-N 2.9Å; L44-S49 PolarHBondContact N-O 3.46Å
45	P	97.8	Very high	97	Very high	10 Å²	10	60 Å²	60	7%	0.065	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.9	-170.1	-25	36.2	0	0	0	114	F21 Y24 I26 I43 A64 T66	F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.07Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.39Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CB 4.45Å; F21-P45 HydrophobicContact CE2-CG 3.76Å; F21-P45 HydrophobicContact CG-CB 4.5Å; F21-P45 HydrophobicContact CG-CG 4.33Å; F21-P45 HydrophobicContact CZ-CB 3.76Å; F21-P45 HydrophobicContact CZ-CG 3.47Å; F21-P45 VanDerWaalsContact CZ-CG 3.47Å; F21-P45 WeakPolarHBondContact O-CG 3.36Å; Y24-P45 WeakPolarHBondContact O-CD 3.37Å; I26-P45 HydrophobicContact CG1-CG 3.86Å; I43-P45 WeakPolarHBondContact O-CD 3.16Å; P45-A64 HydrophobicContact CB-CB 3.72Å; P45-A64 HydrophobicContact CG-CB 4.2Å; P45-T66 HydrophobicContact CB-CG2 4.31Å
46	G	97.1	Very high	97.1	Very high	51 Å²	51	53.7 Å²	53.7	53%	0.526	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-30.9	-179.5	0	0	0	0	0	114.5	T22 L44	T22-G46 VanDerWaalsContact O-CA 3.25Å; T22-G46 WeakPolarHBondContact O-CA 3.36Å; T22-G46 PolarHBondContact O-N 2.99Å; L44-G46 PolarHBondContact O-N 2.82Å
47	S	97.2	Very high	97.2	Very high	69 Å²	69	57.1 Å²	57.1	48%	0.483	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-16.2	178.7	65.4	0	0	0	0	113.6	L44 S49	L44-S47 PolarHBondContact O-N 2.86Å; S47-S49 PolarHBondContact O-N 3.1Å; S47-S49 VanDerWaalsContact OG-CB 3.25Å; S47-S49 WeakPolarHBondContact OG-CB 3.3Å; S47-S49 PolarHBondContact OG-N 3.32Å; S47-S49 VanDerWaalsContact OG-N 3.16Å; S47-S49 PolarHBondContact OG-OG 2.81Å
48	G	96	Very high	97	Very high	49 Å²	49	55 Å²	55	51%	0.505	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	6.8	-168.9	0	0	0	0	0	113.6	L44	L44-G48 WeakPolarHBondContact O-CA 3.37Å; L44-G48 PolarHBondContact O-N 2.9Å
49	S	97.8	Very high	97	Very high	60 Å²	60	55.3 Å²	55.3	42%	0.42	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	137.4	175.2	-57.8	0	0	0	0	109.7	W25 I43 L44 S47	W25-S49 VanDerWaalsContact CZ3-O 3.25Å; W25-S49 WeakPolarHBondContact CZ3-O 3.32Å; I43-S49 CarbonylContact C-O 3.52Å; I43-S49 WeakPolarHBondContact CA-O 2.96Å; L44-S49 PolarHBondContact N-O 3.46Å; S47-S49 PolarHBondContact O-N 3.1Å; S47-S49 VanDerWaalsContact OG-CB 3.25Å; S47-S49 WeakPolarHBondContact OG-CB 3.3Å; S47-S49 PolarHBondContact OG-N 3.32Å; S47-S49 VanDerWaalsContact OG-N 3.16Å; S47-S49 PolarHBondContact OG-OG 2.81Å
50	A	97.8	Very high	97	Very high	33 Å²	33	51.5 Å²	51.5	27%	0.273	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.5	-176.6	0	0	0	0	0	111.2	E42 Y52 F62	E42-A50 CarbonylContact O-C 3.56Å; E42-A50 WeakPolarHBondContact O-CA 3.18Å; A50-Y52 HydrophobicContact CB-CE2 3.72Å; A50-F62 HydrophobicContact CB-CD2 4.17Å
51	N	98.1	Very high	97	Very high	76 Å²	76	54.9 Å²	54.9	41%	0.406	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.9	172.1	-62.4	-44.9	0	0	0	109	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 4.19Å; G41-N51 CarbonylContact C-O 3.6Å; G41-N51 WeakPolarHBondContact CA-O 3.37Å; E42-N51 HydrophobicContact CG-CB 3.91Å; E42-N51 PolarHBondContact N-O 3.15Å; E42-N51 PolarHBondContact O-N 2.98Å; E42-N51 PolarHBondContact OE1-ND2 2.84Å
52	Y	98.2	Very high	97	Very high	72 Å²	72	55.4 Å²	55.4	28%	0.282	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.9	-177	-63.6	-95.2	0	0	0	109.7	A50 A60 F62	A50-Y52 HydrophobicContact CB-CE2 3.72Å; Y52-A60 VanDerWaalsContact CE1-O 3.28Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; Y52-F62 HydrophobicContact CD1-CD2 4.1Å; Y52-F62 AromaticContact CD1-CE2 3.45Å; Y52-F62 HydrophobicContact CD1-CE2 3.45Å; Y52-F62 VanDerWaalsContact CD1-CE2 3.45Å; Y52-F62 AromaticContact CD1-CZ 4Å; Y52-F62 HydrophobicContact CD1-CZ 4Å; Y52-F62 AromaticContact CE1-CD2 3.47Å; Y52-F62 HydrophobicContact CE1-CD2 3.47Å; Y52-F62 VanDerWaalsContact CE1-CD2 3.47Å; Y52-F62 AromaticContact CE1-CE2 3.29Å; Y52-F62 HydrophobicContact CE1-CE2 3.29Å; Y52-F62 HydrophobicContact CE1-CG 4.22Å; Y52-F62 AromaticContact CE1-CZ 3.95Å; Y52-F62 HydrophobicContact CE1-CZ 3.95Å; Y52-F62 HydrophobicContact CE2-CD2 4.41Å; Y52-F62 HydrophobicContact CG-CE2 4.17Å; Y52-F62 AromaticContact CZ-CD2 3.65Å; Y52-F62 AromaticContact CZ-CE2 3.89Å
53	N	97.4	Very high	97	Very high	45 Å²	45	56.9 Å²	56.9	24%	0.241	34%	0.34	C	S	.	.			trans	-69	131.4	157.2	-176.3	-32.2	0	0	0	108.3	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.67Å; W39-N53 HydrophobicContact CZ3-CB 3.78Å; W39-N53 VanDerWaalsContact CZ3-N 3.34Å; W39-N53 WeakPolarHBondContact O-CB 3.09Å; W39-N53 PolarHBondContact O-ND2 3.02Å; I40-N53 WeakPolarHBondContact O-CB 3.34Å; I40-N53 PolarHBondContact O-N 3.29Å; N53-K55 PolarHBondContact O-N 2.91Å; N53-K55 PolarHBondContact OD1-N 3.28Å; N53-F56 HydrophobicContact CB-CD2 3.9Å; N53-F56 PolarHBondContact O-N 2.88Å; N53-K57 PolarHBondContact O-N 2.89Å; N53-K57 VanDerWaalsContact O-N 3.16Å
54	E	96.3	Very high	97	Very high	131 Å²	131	58.4 Å²	58.4	61%	0.612	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-29.1	-178.2	-68.9	-62.2	142.9	0	0	113	F56 K57	E54-F56 PolarHBondContact O-N 2.8Å; E54-K57 PolarHBondContact O-N 3.42Å; E54-K57 IonicContact OE1-NZ 3.48Å; E54-K57 PolarHBondContact OE1-NZ 2.93Å; E54-K57 WeakPolarHBondContact OE2-CD 3.49Å; E54-K57 IonicContact OE2-NZ 3.6Å; E54-K57 PolarHBondContact OE2-NZ 3.17Å; E54-K57 VanDerWaalsContact OE2-NZ 3.17Å
55	K	94.3	Very high	96.9	Very high	165 Å²	165	59.3 Å²	59.3	72%	0.717	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26	174.9	-71.1	-179.4	178.2	176.2	0	114.5	N53	N53-K55 PolarHBondContact O-N 2.91Å; N53-K55 PolarHBondContact OD1-N 3.28Å
56	F	95.6	Very high	96.9	Very high	5 Å²	5	62.3 Å²	62.3	2%	0.022	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-4.1	-174.8	-61.3	-89.4	0	0	0	112.7	K30 I40 N53 E54 G58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.79Å; K30-F56 HydrophobicContact CD-CZ 3.67Å; K30-F56 HydrophobicContact CG-CZ 4.28Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.35Å; I40-F56 HydrophobicContact CG1-CD2 4.45Å; I40-F56 HydrophobicContact CG1-CE1 4.13Å; I40-F56 HydrophobicContact CG1-CE2 4.21Å; I40-F56 HydrophobicContact CG1-CG 4.49Å; I40-F56 HydrophobicContact CG1-CZ 4.03Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 3.87Å; I40-F56 HydrophobicContact CG2-CD2 4.13Å; I40-F56 HydrophobicContact CG2-CE1 4.48Å; I40-F56 HydrophobicContact CG2-CG 3.64Å; N53-F56 HydrophobicContact CB-CD2 3.9Å; N53-F56 PolarHBondContact O-N 2.88Å; E54-F56 PolarHBondContact O-N 2.8Å; F56-G58 PolarHBondContact O-N 2.82Å; F56-K59 PolarHBondContact O-N 3.3Å; F56-A60 HydrophobicContact CB-CB 4.26Å; F56-A60 PolarHBondContact O-N 2.02Å
57	K	94.5	Very high	96.8	Very high	125 Å²	125	64.9 Å²	64.9	54%	0.543	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-59.6	125.1	174.4	-163.5	174.6	-170.3	172.7	0	109.6	N53 E54 K59	N53-K57 PolarHBondContact O-N 2.89Å; N53-K57 VanDerWaalsContact O-N 3.16Å; E54-K57 PolarHBondContact O-N 3.42Å; E54-K57 IonicContact OE1-NZ 3.48Å; E54-K57 PolarHBondContact OE1-NZ 2.93Å; E54-K57 WeakPolarHBondContact OE2-CD 3.49Å; E54-K57 IonicContact OE2-NZ 3.6Å; E54-K57 PolarHBondContact OE2-NZ 3.17Å; E54-K57 VanDerWaalsContact OE2-NZ 3.17Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 3.5Å
58	G	93.6	Very high	96.8	Very high	72 Å²	72	63.4 Å²	63.4	74%	0.742	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-12.9	-174.2	0	0	0	0	0	115.1	F56	F56-G58 PolarHBondContact O-N 2.82Å
59	K	95.8	Very high	96.9	Very high	43 Å²	43	64 Å²	64	19%	0.187	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-39.8	174.4	-173.2	164.2	-169.7	166.3	0	112.9	F56 K57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.3Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 3.5Å; K59-L75 HydrophobicContact CG-CD2 4.47Å; K59-L75 WeakPolarHBondContact O-CA 3.25Å; K59-S76 WeakPolarHBondContact CE-O 3.48Å; K59-S76 PolarHBondContact O-N 2.81Å; K59-S76 PolarHBondContact O-OG 3.3Å; K59-D82 VanDerWaalsContact CE-CG 3.46Å; K59-D82 VanDerWaalsContact CE-OD1 3.23Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.31Å; K59-D82 IonicContact NZ-OD1 3.17Å; K59-D82 PolarHBondContact NZ-OD1 3.16Å; K59-D82 IonicContact NZ-OD2 2.82Å; K59-D82 PolarHBondContact NZ-OD2 3.31Å
60	A	97.7	Very high	96.9	Very high	4 Å²	4	61.7 Å²	61.7	3%	0.033	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.1	175.9	0	0	0	0	0	110.5	I40 Y52 F56 F62 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.86Å; Y52-A60 VanDerWaalsContact CE1-O 3.28Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; F56-A60 HydrophobicContact CB-CB 4.26Å; F56-A60 PolarHBondContact O-N 2.02Å; A60-F62 HydrophobicContact CB-CE1 4.03Å; A60-F62 HydrophobicContact CB-CZ 4.15Å; A60-M73 HydrophobicContact CB-CG 4.41Å; A60-M73 HydrophobicContact CB-SD 4.37Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.14Å; A60-L75 HydrophobicContact CB-CD2 3.91Å
61	T	98.3	Very high	96.9	Very high	70 Å²	70	60.1 Å²	60.1	43%	0.429	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.8	169.5	-58.6	0	0	0	0	108.7	M73 Q74	T61-M73 WeakPolarHBondContact O-CA 3.47Å; T61-Q74 PolarHBondContact N-O 2.83Å; T61-Q74 PolarHBondContact O-N 2.96Å
62	F	98.4	Very high	97	Very high	12 Å²	12	59 Å²	59	5%	0.053	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.2	176.9	-49.4	-47.9	0	0	0	111.3	W28 I40 I43 A50 Y52 A60 Y72 M73	W28-F62 HydrophobicContact CB-CE1 4.19Å; W28-F62 AromaticContact CD1-CD1 3.72Å; W28-F62 AromaticContact CD1-CE1 3.73Å; W28-F62 HydrophobicContact CG-CD1 4.37Å; W28-F62 HydrophobicContact CG-CE1 4.04Å; I40-F62 HydrophobicContact CG2-CE1 4.26Å; I40-F62 HydrophobicContact CG2-CZ 3.94Å; I43-F62 HydrophobicContact CB-CB 3.91Å; I43-F62 HydrophobicContact CD1-CB 4.02Å; I43-F62 HydrophobicContact CG1-CB 4.5Å; I43-F62 HydrophobicContact CG2-CB 4.17Å; A50-F62 HydrophobicContact CB-CD2 4.17Å; Y52-F62 HydrophobicContact CD1-CD2 4.1Å; Y52-F62 AromaticContact CD1-CE2 3.45Å; Y52-F62 HydrophobicContact CD1-CE2 3.45Å; Y52-F62 VanDerWaalsContact CD1-CE2 3.45Å; Y52-F62 AromaticContact CD1-CZ 4Å; Y52-F62 HydrophobicContact CD1-CZ 4Å; Y52-F62 AromaticContact CE1-CD2 3.47Å; Y52-F62 HydrophobicContact CE1-CD2 3.47Å; Y52-F62 VanDerWaalsContact CE1-CD2 3.47Å; Y52-F62 AromaticContact CE1-CE2 3.29Å; Y52-F62 HydrophobicContact CE1-CE2 3.29Å; Y52-F62 HydrophobicContact CE1-CG 4.22Å; Y52-F62 AromaticContact CE1-CZ 3.95Å; Y52-F62 HydrophobicContact CE1-CZ 3.95Å; Y52-F62 HydrophobicContact CE2-CD2 4.41Å; Y52-F62 HydrophobicContact CG-CE2 4.17Å; Y52-F62 AromaticContact CZ-CD2 3.65Å; Y52-F62 AromaticContact CZ-CE2 3.89Å; A60-F62 HydrophobicContact CB-CE1 4.03Å; A60-F62 HydrophobicContact CB-CZ 4.15Å; F62-Y72 WeakPolarHBondContact CA-O 3.19Å; F62-M73 HydrophobicContact CD1-CB 3.95Å; F62-M73 HydrophobicContact CD1-CG 3.85Å; F62-M73 HydrophobicContact CD1-SD 4.43Å; F62-M73 HydrophobicContact CE1-CB 4.14Å; F62-M73 HydrophobicContact CE1-CG 3.65Å; F62-M73 HydrophobicContact CE1-SD 3.68Å
63	T	98.3	Very high	97	Very high	63 Å²	63	55.6 Å²	55.6	39%	0.387	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159.5	172.4	52.7	0	0	0	0	109.5	A71 Y72	T63-A71 CarbonylContact O-C 3.59Å; T63-Y72 PolarHBondContact N-O 2.87Å; T63-Y72 PolarHBondContact O-N 2.97Å
64	A	98.1	Very high	97	Very high	37 Å²	37	57.5 Å²	57.5	31%	0.306	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.5	176.3	0	0	0	0	0	111.1	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.21Å; F21-A64 HydrophobicContact CZ-CB 4.15Å; I43-A64 HydrophobicContact CD1-CB 4.22Å; P45-A64 HydrophobicContact CB-CB 3.72Å; P45-A64 HydrophobicContact CG-CB 4.2Å
65	D	97.7	Very high	97	Very high	54 Å²	54	51.3 Å²	51.3	29%	0.289	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106	169.7	175	6.6	0	0	0	108.5	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.82Å; D65-S67 WeakPolarHBondContact OD1-CB 3.17Å; D65-S67 PolarHBondContact OD1-N 3.05Å; D65-S67 PolarHBondContact OD1-OG 2.78Å; D65-S67 PolarHBondContact OD2-OG 3.02Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.25Å; D65-S68 PolarHBondContact OD2-OG 2.88Å; D65-N69 WeakPolarHBondContact O-CA 3.32Å; D65-N69 PolarHBondContact O-N 3.29Å; D65-T70 PolarHBondContact N-O 3.01Å; D65-T70 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 4Å
66	T	96.7	Very high	97.1	Very high	72 Å²	72	45 Å²	45	44%	0.442	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.4	-177.7	58.5	0	0	0	0	112.7	T22 P45 N69	T22-T66 HydrophobicContact CG2-CG2 3.69Å; P45-T66 HydrophobicContact CB-CG2 4.31Å; T66-N69 PolarHBondContact O-OD1 2.98Å
67	S	96	Very high	97.1	Very high	106 Å²	106	48.6 Å²	48.6	74%	0.741	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-33.7	176.1	74.7	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.82Å; D65-S67 WeakPolarHBondContact OD1-CB 3.17Å; D65-S67 PolarHBondContact OD1-N 3.05Å; D65-S67 PolarHBondContact OD1-OG 2.78Å; D65-S67 PolarHBondContact OD2-OG 3.02Å
68	S	97	Very high	97.2	Very high	37 Å²	37	43.5 Å²	43.5	26%	0.259	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	2.5	180	68.2	0	0	0	0	113.9	D65 T70	D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.25Å; D65-S68 PolarHBondContact OD2-OG 2.88Å; S68-T70 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 VanDerWaalsContact O-OG1 3.09Å; S68-T70 PolarHBondContact OG-OG1 2.87Å
69	N	97.4	Very high	97.2	Very high	62 Å²	62	43.5 Å²	43.5	33%	0.332	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	44	-173.1	-64.6	-32	0	0	0	112.9	A16 F21 D65 T66	A16-N69 HydrophobicContact CB-CB 4.47Å; A16-N69 PolarHBondContact N-O 3.21Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 WeakPolarHBondContact CB-OD1 3.16Å; F21-N69 HydrophobicContact CD1-CB 4.09Å; F21-N69 HydrophobicContact CD2-CB 4.49Å; F21-N69 HydrophobicContact CG-CB 3.93Å; D65-N69 WeakPolarHBondContact O-CA 3.32Å; D65-N69 PolarHBondContact O-N 3.29Å; T66-N69 PolarHBondContact O-OD1 2.98Å
70	T	98.4	Very high	97	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.8	-175.7	-53.7	0	0	0	0	111	C14 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.52Å; C14-T70 VanDerWaalsContact O-CA 3.31Å; C14-T70 WeakPolarHBondContact O-CA 3.05Å; D65-T70 PolarHBondContact N-O 3.01Å; D65-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 VanDerWaalsContact O-OG1 3.09Å; S68-T70 PolarHBondContact OG-OG1 2.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.49Å; T70-Y72 WeakPolarHBondContact O-CE2 3.31Å
71	A	98.4	Very high	96.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	152.4	168.3	0	0	0	0	0	110	S13 C14 F21 I26 W28 T63	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.35Å; C14-A71 HydrophobicContact CB-CB 4.42Å; C14-A71 PolarHBondContact N-O 3.38Å; C14-A71 PolarHBondContact O-N 3.21Å; F21-A71 HydrophobicContact CE2-CB 4.16Å; F21-A71 HydrophobicContact CZ-CB 3.97Å; I26-A71 HydrophobicContact CB-CB 4.19Å; I26-A71 HydrophobicContact CG1-CB 4.22Å; I26-A71 HydrophobicContact CG2-CB 3.86Å; W28-A71 HydrophobicContact CZ2-CB 4.28Å; T63-A71 CarbonylContact O-C 3.59Å
72	Y	98.4	Very high	96.5	Very high	54 Å²	54	49.2 Å²	49.2	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.4	178.8	-55.6	-88	0	0	0	110.9	K11 L12 S13 F62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.36Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å; L12-Y72 CarbonylContact O-C 3.49Å; L12-Y72 WeakPolarHBondContact O-CA 3.39Å; L12-Y72 WeakPolarHBondContact O-CB 3.43Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å; F62-Y72 WeakPolarHBondContact CA-O 3.19Å; T63-Y72 PolarHBondContact N-O 2.87Å; T63-Y72 PolarHBondContact O-N 2.97Å; D65-Y72 HydrophobicContact CB-CE2 4Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.49Å; T70-Y72 WeakPolarHBondContact O-CE2 3.31Å
73	M	98.3	Very high	96.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.8	166.5	176.8	177.8	67.2	0	0	108.7	L12 W28 I40 A60 T61 F62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.53Å; L12-M73 PolarHBondContact N-O 2.83Å; L12-M73 PolarHBondContact O-N 3.27Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.34Å; W28-M73 HydrophobicContact CD2-CG 4.48Å; W28-M73 HydrophobicContact CD2-SD 4.2Å; W28-M73 HydrophobicContact CE3-CB 3.9Å; W28-M73 HydrophobicContact CE3-CE 3.86Å; W28-M73 HydrophobicContact CE3-SD 4.32Å; W28-M73 HydrophobicContact CG-CB 4.12Å; W28-M73 HydrophobicContact CG-SD 4.04Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.13Å; W28-M73 HydrophobicContact CZ3-CE 4.46Å; I40-M73 HydrophobicContact CD1-CE 3.79Å; I40-M73 HydrophobicContact CD1-SD 3.71Å; I40-M73 HydrophobicContact CG2-SD 3.89Å; A60-M73 HydrophobicContact CB-CG 4.41Å; A60-M73 HydrophobicContact CB-SD 4.37Å; T61-M73 WeakPolarHBondContact O-CA 3.47Å; F62-M73 HydrophobicContact CD1-CB 3.95Å; F62-M73 HydrophobicContact CD1-CG 3.85Å; F62-M73 HydrophobicContact CD1-SD 4.43Å; F62-M73 HydrophobicContact CE1-CB 4.14Å; F62-M73 HydrophobicContact CE1-CG 3.65Å; F62-M73 HydrophobicContact CE1-SD 3.68Å; M73-L75 HydrophobicContact CE-CD1 3.89Å; M73-L75 HydrophobicContact CE-CD2 4.39Å; M73-L75 HydrophobicContact CE-CG 4.05Å; M73-L75 HydrophobicContact CG-CD2 4.48Å; M73-L75 HydrophobicContact CG-CG 4.34Å; M73-L75 HydrophobicContact SD-CD2 4.14Å; M73-L75 HydrophobicContact SD-CG 4.29Å; M73-Y86 HydrophobicContact CE-CD1 3.56Å; M73-Y86 HydrophobicContact CE-CE1 3.89Å; M73-Y86 HydrophobicContact CE-CG 4.38Å
74	Q	98.1	Very high	96.2	Very high	85 Å²	85	51.3 Å²	51.3	40%	0.397	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.7	168.1	-176.7	173	-17.6	0	0	109.3	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.6Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.35Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.14Å; T61-Q74 PolarHBondContact N-O 2.83Å; T61-Q74 PolarHBondContact O-N 2.96Å
75	L	97.1	Very high	96.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.9	170.5	-68.5	169.6	0	0	0	108.8	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.36Å; S9-L75 WeakPolarHBondContact CB-O 3.21Å; V10-L75 HydrophobicContact CG1-CB 4.04Å; V10-L75 HydrophobicContact CG1-CD1 4.43Å; V10-L75 PolarHBondContact N-O 3.28Å; V10-L75 PolarHBondContact O-N 2.99Å; K59-L75 HydrophobicContact CG-CD2 4.47Å; K59-L75 WeakPolarHBondContact O-CA 3.25Å; A60-L75 HydrophobicContact CB-CD2 3.91Å; M73-L75 HydrophobicContact CE-CD1 3.89Å; M73-L75 HydrophobicContact CE-CD2 4.39Å; M73-L75 HydrophobicContact CE-CG 4.05Å; M73-L75 HydrophobicContact CG-CD2 4.48Å; M73-L75 HydrophobicContact CG-CG 4.34Å; M73-L75 HydrophobicContact SD-CD2 4.14Å; M73-L75 HydrophobicContact SD-CG 4.29Å; L75-L78 HydrophobicContact CB-CD2 3.78Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; L75-Y86 HydrophobicContact CD1-CD1 4.42Å; L75-Y86 HydrophobicContact CD1-CE1 3.56Å; L75-Y86 HydrophobicContact CD1-CE2 4.36Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.38Å
76	S	96.2	Very high	96.1	Very high	33 Å²	33	53.9 Å²	53.9	23%	0.231	32%	0.319	C	S	.	.			trans	-102.2	160	177.6	60	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.34Å; K59-S76 WeakPolarHBondContact CE-O 3.48Å; K59-S76 PolarHBondContact O-N 2.81Å; K59-S76 PolarHBondContact O-OG 3.3Å; S76-L78 PolarHBondContact O-N 2.9Å
77	S	95.3	Very high	96.1	Very high	80 Å²	80	55.2 Å²	55.2	56%	0.559	32%	0.317	S	S	*	.	S	Bend	trans	50.2	53.1	172	-58.7	0	0	0	0	113	A8	A8-S77 PolarHBondContact O-N 2.92Å
78	L	95.4	Very high	96.2	Very high	18 Å²	18	52.6 Å²	52.6	9%	0.094	30%	0.298	C	S	.	.			trans	-60	139.1	-174.2	-67.4	172.1	0	0	0	112.3	M4 G7 A8 V10 L75 S76 D82	M4-L78 HydrophobicContact CB-CD1 3.73Å; M4-L78 HydrophobicContact CG-CD1 3.93Å; G7-L78 PolarHBondContact N-O 3Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 2.83Å; V10-L78 HydrophobicContact CB-CD1 4.05Å; V10-L78 HydrophobicContact CG1-CD1 3.82Å; V10-L78 HydrophobicContact CG1-CD2 4.17Å; L75-L78 HydrophobicContact CB-CD2 3.78Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; S76-L78 PolarHBondContact O-N 2.9Å; L78-D82 WeakPolarHBondContact CA-OD2 3.42Å; L78-D82 HydrophobicContact CD2-CB 3.77Å
79	T	94.2	Very high	95.9	Very high	72 Å²	72	55.3 Å²	55.3	44%	0.442	32%	0.322	S	S	.	.			trans	-124.6	172.2	174.7	67.8	0	0	0	0	109.9	E81 D82	T79-E81 PolarHBondContact O-N 2.75Å; T79-E81 VanDerWaalsContact O-N 3.09Å; T79-D82 PolarHBondContact N-OD2 3.34Å; T79-D82 PolarHBondContact O-N 2.78Å; T79-D82 PolarHBondContact OG1-OD2 3.09Å
80	S	92	Very high	95.8	Very high	112 Å²	112	55 Å²	55	78%	0.783	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-57	-25.8	176.6	52.5	0	0	0	0	113	D82 S83	S80-D82 VanDerWaalsContact C-N 3.26Å; S80-D82 PolarHBondContact O-N 3Å; S80-S83 WeakPolarHBondContact O-CB 3.48Å; S80-S83 PolarHBondContact O-N 2.94Å
81	E	90.9	Very high	95.7	Very high	112 Å²	112	57.3 Å²	57.3	52%	0.523	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-68.9	-17.9	175.8	-81.8	-150.5	-142.7	0	0	114.4	R32 T79 S83	R32-E81 IonicContact CZ-OE2 3.21Å; R32-E81 PolarHBondContact NE-O 3.46Å; R32-E81 IonicContact NH1-OE2 2.58Å; R32-E81 PolarHBondContact NH1-OE2 3.17Å; R32-E81 VanDerWaalsContact NH2-CB 3.28Å; R32-E81 PolarHBondContact NH2-O 3.23Å; R32-E81 IonicContact NH2-OE2 2.89Å; R32-E81 PolarHBondContact NH2-OE2 2.83Å; T79-E81 PolarHBondContact O-N 2.75Å; T79-E81 VanDerWaalsContact O-N 3.09Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82	D	93.9	Very high	95.6	Very high	14 Å²	14	60.4 Å²	60.4	8%	0.075	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-88.8	-1.8	176.3	-52.3	-52.4	0	0	0	112.3	K59 L78 T79 S80 A84 Y86	K59-D82 VanDerWaalsContact CE-CG 3.46Å; K59-D82 VanDerWaalsContact CE-OD1 3.23Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.31Å; K59-D82 IonicContact NZ-OD1 3.17Å; K59-D82 PolarHBondContact NZ-OD1 3.16Å; K59-D82 IonicContact NZ-OD2 2.82Å; K59-D82 PolarHBondContact NZ-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.42Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; T79-D82 PolarHBondContact N-OD2 3.34Å; T79-D82 PolarHBondContact O-N 2.78Å; T79-D82 PolarHBondContact OG1-OD2 3.09Å; S80-D82 VanDerWaalsContact C-N 3.26Å; S80-D82 PolarHBondContact O-N 3Å; D82-A84 PolarHBondContact O-N 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 3.43Å
83	S	94.6	Very high	95.4	Very high	93 Å²	93	60.8 Å²	60.8	65%	0.65	36%	0.362	S	S	*	.			trans	-69.5	102.6	173	-168.2	0	0	0	0	110	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.48Å; S80-S83 PolarHBondContact O-N 2.94Å; E81-S83 VanDerWaalsContact C-N 3.3Å
84	A	95.5	Very high	95.2	Very high	26 Å²	26	64.6 Å²	64.6	22%	0.215	39%	0.385	C	S	.	.	S	Bend	trans	-158.5	167.8	-174	0	0	0	0	0	110.5	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CB-CB 4.07Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 WeakPolarHBondContact O-CB 3.3Å; R32-A84 HydrophobicContact CG-CB 4.08Å; D82-A84 PolarHBondContact O-N 3.31Å; A84-Y86 HydrophobicContact CB-CE2 4.03Å; A84-Y86 WeakPolarHBondContact O-CD2 3.36Å
85	I	96.4	Very high	95	Very high	96 Å²	96	63.3 Å²	63.3	49%	0.492	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	136.2	161	-55.2	174	0	0	0	107.5	K30 Q31 Y87	K30-I85 CarbonylContact C-O 3.52Å; K30-I85 WeakPolarHBondContact CA-O 3.25Å; Q31-I85 PolarHBondContact N-O 3.06Å; Q31-I85 PolarHBondContact O-N 2.89Å; I85-Y87 HydrophobicContact CB-CE2 3.94Å; I85-Y87 HydrophobicContact CG2-CD2 4.27Å; I85-Y87 HydrophobicContact CG2-CE1 3.9Å; I85-Y87 HydrophobicContact CG2-CE2 3.55Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.43Å
86	Y	97.3	Very high	94.9	Very high	48 Å²	48	67.8 Å²	67.8	19%	0.188	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136	178.3	-69.8	-90.5	0	0	0	109.7	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.1Å; L12-Y86 HydrophobicContact CD1-CD2 4.08Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; K30-Y86 HydrophobicContact CB-CD1 3.76Å; K30-Y86 HydrophobicContact CB-CE1 3.61Å; K30-Y86 HydrophobicContact CD-CE1 4.41Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.72Å; M73-Y86 HydrophobicContact CE-CD1 3.56Å; M73-Y86 HydrophobicContact CE-CE1 3.89Å; M73-Y86 HydrophobicContact CE-CG 4.38Å; L75-Y86 HydrophobicContact CD1-CD1 4.42Å; L75-Y86 HydrophobicContact CD1-CE1 3.56Å; L75-Y86 HydrophobicContact CD1-CE2 4.36Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.38Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 3.43Å; A84-Y86 HydrophobicContact CB-CE2 4.03Å; A84-Y86 WeakPolarHBondContact O-CD2 3.36Å
87	Y	97.5	Very high	94.8	Very high	101 Å²	101	70.5 Å²	70.5	40%	0.396	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.2	-179.5	-59.2	-83	0	0	0	109.6	V29 Q31 L37 I85	V29-Y87 PolarHBondContact N-O 3.48Å; V29-Y87 PolarHBondContact O-N 2.94Å; Q31-Y87 HydrophobicContact CB-CE2 3.87Å; Q31-Y87 PolarHBondContact OE1-OH 2.62Å; L37-Y87 HydrophobicContact CD2-CD2 4.43Å; L37-Y87 HydrophobicContact CD2-CE2 4.5Å; I85-Y87 HydrophobicContact CB-CE2 3.94Å; I85-Y87 HydrophobicContact CG2-CD2 4.27Å; I85-Y87 HydrophobicContact CG2-CE1 3.9Å; I85-Y87 HydrophobicContact CG2-CE2 3.55Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.43Å
88	C	96.9	Very high	94.7	Very high	51 Å²	51	69.7 Å²	69.7	35%	0.345	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.3	162	61.6	0	0	0	0	109.9	C14 I26 E27 W28	C14-C88 HydrophobicContact CB-CB 3.54Å; C14-C88 WeakPolarHBondContact CB-SG 3.36Å; C14-C88 WeakPolarHBondContact SG-CB 3.48Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.82Å; I26-C88 HydrophobicContact CG2-CB 4.29Å; E27-C88 WeakPolarHBondContact O-CA 3.25Å; W28-C88 HydrophobicContact CD2-CB 4.43Å; W28-C88 HydrophobicContact CE3-CB 4.2Å; W28-C88 HydrophobicContact CH2-CB 4.38Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å
89	A	91.9	Very high	94.7	Very high	93 Å²	93	74.4 Å²	74.4	77%	0.769	44%	0.443	S	S	*	.			trans	-134.9	0	177.2	0	0	0	0	0	110.3	I26 E27	I26-A89 CarbonylContact C-O 3.59Å; I26-A89 WeakPolarHBondContact CA-O 3.38Å; E27-A89 PolarHBondContact N-O 3.46Å; E27-A89 PolarHBondContact O-N 2.62Å; E27-A89 VanDerWaalsContact O-N 3.15Å

Retrieved 89 of 89 residues in 18.9 ms (Link to these results)

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