X5J550_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J550, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 96 aa.

						>X5J550_MOUSE|X5J550
GGLVQPGGSLKLSCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSIVRSEDTALYYCTRLNYYGY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	G	60.8	Low	83	Confident	114 Å²	114	88.1 Å²	88.1	100%	1.175	58%	0.584	S	S	*	*				0	153.8	0	0	0	0	0	0	109
2	G	74	Confident	84.2	Confident	48 Å²	48	82.1 Å²	82.1	50%	0.495	54%	0.542	S	S	.	.			trans	-111.8	158.5	179.2	0	0	0	0	0	112
3	L	76.8	Confident	85.2	Confident	184 Å²	184	82.5 Å²	82.5	96%	0.963	55%	0.547	S	S	*	.			trans	-72.4	132.2	167	-69.3	165.4	0	0	0	108.8
4	V	83.4	Confident	86.1	Confident	55 Å²	55	78 Å²	78	33%	0.333	52%	0.518	S	S	.	.			trans	-131.2	140.8	178.1	-178.9	0	0	0	0	108.6	L10	V4-L10 HydrophobicContact CG2-CB 3.98Å; V4-L10 HydrophobicContact CG2-CD1 3.76Å; V4-L10 HydrophobicContact CG2-CD2 4.12Å; V4-L10 HydrophobicContact CG2-CG 4.15Å
5	Q	82.3	Confident	86.8	Confident	157 Å²	157	78.1 Å²	78.1	73%	0.734	53%	0.527	S	S	*	.			trans	-65.9	145	175.2	-67.8	-66.6	-16.2	0	0	110.5	G7 G8	Q5-G7 PolarHBondContact O-N 2.99Å; Q5-G8 PolarHBondContact O-N 3.31Å; Q5-G8 VanDerWaalsContact O-N 3.08Å
6	P	84	Confident	87.4	Confident	94 Å²	94	74.4 Å²	74.4	61%	0.61	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	139.8	172.7	-26.1	34.7	0	0	0	112.1	G8 V78	P6-G8 VanDerWaalsContact C-N 3.28Å; P6-G8 PolarHBondContact O-N 3.26Å; P6-V78 CarbonylContact C-O 3.58Å; P6-V78 VanDerWaalsContact CA-O 3.31Å; P6-V78 WeakPolarHBondContact CA-O 3.42Å
7	G	85.3	Confident	87.9	Confident	52 Å²	52	76.2 Å²	76.2	54%	0.536	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-10.8	-175.5	0	0	0	0	0	114.8	Q5 V78	Q5-G7 PolarHBondContact O-N 2.99Å; G7-V78 PolarHBondContact N-O 3.13Å
8	G	88.9	Confident	88.3	Confident	27 Å²	27	76.8 Å²	76.8	28%	0.278	54%	0.538	S	S	.	.			trans	-74.6	178.2	172.9	0	0	0	0	0	113.7	Q5 P6 I77 V78	Q5-G8 PolarHBondContact O-N 3.31Å; Q5-G8 VanDerWaalsContact O-N 3.08Å; P6-G8 VanDerWaalsContact C-N 3.28Å; P6-G8 PolarHBondContact O-N 3.26Å; G8-I77 WeakPolarHBondContact O-CA 3.36Å; G8-I77 PolarHBondContact O-N 2.98Å; G8-I77 VanDerWaalsContact O-N 3.15Å; G8-V78 PolarHBondContact O-N 3.04Å
9	S	90.5	Very high	88.4	Confident	87 Å²	87	75.6 Å²	75.6	61%	0.608	52%	0.523	S	S	*	.			trans	-112.2	149	169	60.5	0	0	0	0	110.4	M75	S9-M75 VanDerWaalsContact CA-O 3.28Å; S9-M75 WeakPolarHBondContact CA-O 3.46Å; S9-M75 WeakPolarHBondContact CB-O 3.43Å
10	L	92.5	Very high	88.7	Confident	38 Å²	38	75.4 Å²	75.4	20%	0.199	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	135.8	178.4	177.8	58.1	0	0	0	109.3	V4 L12 M75 V78	V4-L10 HydrophobicContact CG2-CB 3.98Å; V4-L10 HydrophobicContact CG2-CD1 3.76Å; V4-L10 HydrophobicContact CG2-CD2 4.12Å; V4-L10 HydrophobicContact CG2-CG 4.15Å; L10-L12 HydrophobicContact CD1-CD2 4.4Å; L10-L12 HydrophobicContact CD2-CD2 3.97Å; L10-L12 HydrophobicContact CG-CD2 4.13Å; L10-L12 HydrophobicContact CG-CG 4.49Å; L10-M75 HydrophobicContact CB-CB 4.49Å; L10-M75 HydrophobicContact CB-CE 3.85Å; L10-M75 HydrophobicContact CD2-CE 3.63Å; L10-M75 HydrophobicContact CG-CE 3.63Å; L10-M75 PolarHBondContact N-O 3.34Å; L10-M75 PolarHBondContact O-N 3.12Å; L10-V78 HydrophobicContact CB-CG2 4.09Å
11	K	94.9	Very high	89	Confident	113 Å²	113	71.8 Å²	71.8	49%	0.491	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.3	170	-173.4	173.4	-179.7	173.1	0	109.2	Y72 L73	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 VanDerWaalsContact CE-CG 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.47Å; K11-L73 CarbonylContact C-O 3.6Å; K11-L73 WeakPolarHBondContact CA-O 3.25Å
12	L	96.4	Very high	90.6	Very high	16 Å²	16	68.5 Å²	68.5	8%	0.084	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	147.9	170.6	-58.7	176.9	0	0	0	109.6	L10 W28 Y72 L73 M75 Y86	L10-L12 HydrophobicContact CD1-CD2 4.4Å; L10-L12 HydrophobicContact CD2-CD2 3.97Å; L10-L12 HydrophobicContact CG-CD2 4.13Å; L10-L12 HydrophobicContact CG-CG 4.49Å; L12-W28 HydrophobicContact CB-CH2 3.96Å; L12-W28 HydrophobicContact CB-CZ2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 4.45Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.23Å; L12-L73 HydrophobicContact CB-CB 4.29Å; L12-L73 HydrophobicContact CD1-CD2 4.37Å; L12-L73 PolarHBondContact N-O 2.81Å; L12-L73 PolarHBondContact O-N 2.81Å; L12-M75 HydrophobicContact CD1-CE 3.59Å; L12-M75 HydrophobicContact CD2-CE 4.27Å; L12-M75 HydrophobicContact CG-CE 3.48Å; L12-M75 VanDerWaalsContact CG-CE 3.48Å; L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 3.94Å; L12-Y86 HydrophobicContact CD1-CG 3.58Å
13	S	97.6	Very high	91.6	Very high	87 Å²	87	75.2 Å²	75.2	61%	0.608	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.2	171.5	54.8	0	0	0	0	109.9	L71	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 WeakPolarHBondContact CA-O 3.37Å
14	C	97.5	Very high	92.5	Very high	20 Å²	20	70 Å²	70	14%	0.135	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	108.4	171.3	164.5	0	0	0	0	108.7	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 4.09Å; C14-T70 CarbonylContact O-C 3.53Å; C14-T70 VanDerWaalsContact O-CA 3.31Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; C14-L71 HydrophobicContact CB-CB 4.39Å; C14-L71 PolarHBondContact N-O 2.81Å; C14-L71 PolarHBondContact O-N 3.49Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.25Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 2.99Å
15	A	97.4	Very high	93.1	Very high	80 Å²	80	69 Å²	69	66%	0.661	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	126.3	174.1	0	0	0	0	0	109.6
16	A	95.8	Very high	93.8	Very high	18 Å²	18	61.8 Å²	61.8	15%	0.149	39%	0.385	C	S	.	.			trans	-95.1	147.5	177.4	0	0	0	0	0	111.1	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.77Å; A16-F19 HydrophobicContact CB-CE2 4.46Å; A16-F19 HydrophobicContact CB-CZ 3.59Å; A16-F21 HydrophobicContact CB-CB 4.43Å; A16-F21 HydrophobicContact CB-CD2 3.56Å; A16-F21 HydrophobicContact CB-CE2 4.22Å; A16-F21 HydrophobicContact CB-CG 4.36Å; A16-N69 PolarHBondContact N-O 3.24Å
17	S	95.6	Very high	94.4	Very high	105 Å²	105	57.3 Å²	57.3	73%	0.734	36%	0.356	S	S	*	.			trans	-145.4	160.3	173	60.6	0	0	0	0	110	F19	S17-F19 WeakPolarHBondContact O-CD1 3.39Å; S17-F19 PolarHBondContact O-N 3.09Å
18	G	94.8	Very high	95	Very high	87 Å²	87	55.1 Å²	55.1	90%	0.897	33%	0.332	S	S	*	.	S	Bend	trans	80.6	6.7	177.1	0	0	0	0	0	115.9
19	F	91.8	Very high	95.4	Very high	54 Å²	54	54.8 Å²	54.8	24%	0.237	32%	0.324	C	S	.	.	S	Bend	trans	-155.2	163.2	171.3	64.5	-82.4	0	0	0	111.3	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.77Å; A16-F19 HydrophobicContact CB-CE2 4.46Å; A16-F19 HydrophobicContact CB-CZ 3.59Å; S17-F19 WeakPolarHBondContact O-CD1 3.39Å; S17-F19 PolarHBondContact O-N 3.09Å; F19-F21 HydrophobicContact CE2-CB 4.24Å; F19-F21 HydrophobicContact CE2-CD2 4.25Å; F19-F21 HydrophobicContact CZ-CD2 4.33Å; F19-F21 PolarHBondContact O-N 3.21Å; F19-Y24 AromaticContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CE2 4.05Å; F19-Y24 HydrophobicContact CD2-CG 4.47Å; F19-Y24 HydrophobicContact CE2-CD2 4.18Å; F19-M26 HydrophobicContact CE2-SD 4.03Å; F19-M26 HydrophobicContact CZ-CE 4.13Å; F19-M26 HydrophobicContact CZ-SD 4.14Å; F19-R90 HydrophobicContact CD2-CG 4.43Å; F19-R90 HydrophobicContact CE2-CB 4.42Å; F19-R90 VanDerWaalsContact CE2-CD 3.45Å; F19-R90 HydrophobicContact CE2-CG 3.92Å; F19-R90 HydrophobicContact CZ-CB 4.24Å; F19-R90 HydrophobicContact CZ-CG 4.23Å
20	D	94	Very high	95.7	Very high	71 Å²	71	51.7 Å²	51.7	38%	0.38	30%	0.299	S	S	.	.			trans	-74.5	89.5	172.9	-176.8	-4.8	0	0	0	109.9	S22 R23 Y24	D20-S22 PolarHBondContact O-N 2.78Å; D20-S22 VanDerWaalsContact O-N 3.11Å; D20-S22 WeakPolarHBondContact OD1-CB 3.31Å; D20-S22 PolarHBondContact OD1-N 3.12Å; D20-S22 PolarHBondContact OD1-OG 2.91Å; D20-R23 HydrophobicContact CB-CG 4.33Å; D20-R23 PolarHBondContact O-N 2.75Å; D20-R23 WeakPolarHBondContact OD2-CD 3.42Å; D20-R23 VanDerWaalsContact OD2-CG 3.27Å; D20-R23 WeakPolarHBondContact OD2-CG 3.15Å; D20-R23 IonicContact OD2-CZ 3.95Å; D20-R23 IonicContact OD2-NE 2.97Å; D20-R23 PolarHBondContact OD2-NE 2.91Å; D20-Y24 VanDerWaalsContact O-CD2 3.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.21Å
21	F	95.3	Very high	95.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-50.8	-36.2	-179.1	177.7	-96.6	0	0	0	112.9	A16 F19 R23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.43Å; A16-F21 HydrophobicContact CB-CD2 3.56Å; A16-F21 HydrophobicContact CB-CE2 4.22Å; A16-F21 HydrophobicContact CB-CG 4.36Å; F19-F21 HydrophobicContact CE2-CB 4.24Å; F19-F21 HydrophobicContact CE2-CD2 4.25Å; F19-F21 HydrophobicContact CZ-CD2 4.33Å; F19-F21 PolarHBondContact O-N 3.21Å; F21-R23 PolarHBondContact O-N 2.78Å; F21-R23 VanDerWaalsContact O-N 3.14Å; F21-Y24 PolarHBondContact O-N 2.82Å; F21-M26 HydrophobicContact CD2-CE 4.2Å; F21-M26 HydrophobicContact CD2-CG 4.08Å; F21-M26 HydrophobicContact CD2-SD 3.97Å; F21-M26 HydrophobicContact CE2-CE 3.89Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.92Å; F21-M26 HydrophobicContact CZ-CG 3.98Å; F21-R64 VanDerWaalsContact CD1-NH2 3.33Å; F21-R64 HydrophobicContact CE1-CB 4.14Å; F21-R64 VanDerWaalsContact CE1-NH2 3.3Å; F21-R64 HydrophobicContact CZ-CB 4.13Å; F21-R64 PolarHBondContact O-NH2 2.63Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.47Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.45Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 WeakPolarHBondContact CB-OD1 3.28Å; F21-N69 HydrophobicContact CG-CB 4.2Å; F21-L71 HydrophobicContact CE2-CB 4.25Å; F21-L71 HydrophobicContact CZ-CB 4.15Å
22	S	94.8	Very high	95.9	Very high	46 Å²	46	48.7 Å²	48.7	32%	0.322	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-64.8	-18.4	-176.6	77.4	0	0	0	0	113.6	D20 P45	D20-S22 PolarHBondContact O-N 2.78Å; D20-S22 VanDerWaalsContact O-N 3.11Å; D20-S22 WeakPolarHBondContact OD1-CB 3.31Å; D20-S22 PolarHBondContact OD1-N 3.12Å; D20-S22 PolarHBondContact OD1-OG 2.91Å; S22-P45 VanDerWaalsContact O-CB 3.26Å; S22-P45 WeakPolarHBondContact O-CB 3.41Å
23	R	94.4	Very high	95.8	Very high	189 Å²	189	53 Å²	53	71%	0.713	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-93.2	-11.2	-177.6	-71	-177.2	177.1	-151.4	-9.5	115.1	D20 F21	D20-R23 HydrophobicContact CB-CG 4.33Å; D20-R23 PolarHBondContact O-N 2.75Å; D20-R23 WeakPolarHBondContact OD2-CD 3.42Å; D20-R23 VanDerWaalsContact OD2-CG 3.27Å; D20-R23 WeakPolarHBondContact OD2-CG 3.15Å; D20-R23 IonicContact OD2-CZ 3.95Å; D20-R23 IonicContact OD2-NE 2.97Å; D20-R23 PolarHBondContact OD2-NE 2.91Å; F21-R23 PolarHBondContact O-N 2.78Å; F21-R23 VanDerWaalsContact O-N 3.14Å
24	Y	94.8	Very high	95.7	Very high	75 Å²	75	53.4 Å²	53.4	29%	0.294	34%	0.335	S	S	.	.	S	Bend	trans	-111.9	149	-172.6	-65.4	-89.2	0	0	0	112.5	F19 D20 F21 R64 R90	F19-Y24 AromaticContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CE2 4.05Å; F19-Y24 HydrophobicContact CD2-CG 4.47Å; F19-Y24 HydrophobicContact CE2-CD2 4.18Å; D20-Y24 VanDerWaalsContact O-CD2 3.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.21Å; F21-Y24 PolarHBondContact O-N 2.82Å; Y24-R64 PolarHBondContact O-NH1 2.84Å; Y24-R90 HydrophobicContact CD1-CG 3.81Å; Y24-R90 HydrophobicContact CD2-CG 4.37Å; Y24-R90 HydrophobicContact CG-CG 3.67Å
25	W	96	Very high	95.6	Very high	34 Å²	34	59.4 Å²	59.4	13%	0.129	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	141.9	159.3	-75.3	64.9	0	0	0	108.9	E42 I43 N44 T49 L91 Y93	W25-E42 HydrophobicContact CE3-CB 4.26Å; W25-E42 VanDerWaalsContact CE3-CD 3.43Å; W25-E42 HydrophobicContact CE3-CG 3.53Å; W25-E42 HydrophobicContact CZ3-CG 3.65Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.37Å; W25-I43 WeakPolarHBondContact CA-O 3.42Å; W25-N44 HydrophobicContact CD2-CB 3.64Å; W25-N44 HydrophobicContact CE3-CB 3.97Å; W25-N44 HydrophobicContact CG-CB 4.32Å; W25-N44 HydrophobicContact CH2-CB 3.74Å; W25-N44 HydrophobicContact CZ2-CB 3.36Å; W25-N44 HydrophobicContact CZ3-CB 4.02Å; W25-T49 HydrophobicContact CH2-CG2 3.95Å; W25-L91 HydrophobicContact CB-CB 3.93Å; W25-L91 HydrophobicContact CB-CD2 4.47Å; W25-L91 PolarHBondContact O-N 3.49Å; W25-Y93 AromaticContact CD1-CD2 3.9Å; W25-Y93 AromaticContact CD1-CE2 3.37Å; W25-Y93 HydrophobicContact CD2-CE2 4.27Å; W25-Y93 AromaticContact CE2-CE2 3.79Å; W25-Y93 HydrophobicContact CG-CE2 4.01Å; W25-Y93 HydrophobicContact CZ2-CE2 4.5Å; W25-Y93 AromaticContact NE1-CE2 3.23Å; W25-Y93 AromaticContact NE1-CZ 3.87Å
26	M	97.3	Very high	95.4	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.02	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.8	-177	-62.1	-58.9	-54.7	0	0	109	F19 F21 E42 I43 L71 T89 R90	F19-M26 HydrophobicContact CE2-SD 4.03Å; F19-M26 HydrophobicContact CZ-CE 4.13Å; F19-M26 HydrophobicContact CZ-SD 4.14Å; F21-M26 HydrophobicContact CD2-CE 4.2Å; F21-M26 HydrophobicContact CD2-CG 4.08Å; F21-M26 HydrophobicContact CD2-SD 3.97Å; F21-M26 HydrophobicContact CE2-CE 3.89Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.92Å; F21-M26 HydrophobicContact CZ-CG 3.98Å; M26-E42 CarbonylContact O-C 3.55Å; M26-E42 VanDerWaalsContact O-CA 3.22Å; M26-E42 WeakPolarHBondContact O-CA 3.5Å; M26-E42 WeakPolarHBondContact O-CB 2.99Å; M26-I43 HydrophobicContact CB-CG2 4.36Å; M26-I43 PolarHBondContact N-O 2.98Å; M26-I43 PolarHBondContact O-N 3.37Å; M26-L71 HydrophobicContact CB-CD1 3.81Å; M26-L71 HydrophobicContact CB-CD2 3.94Å; M26-L71 HydrophobicContact CB-CG 4.38Å; M26-T89 WeakPolarHBondContact CA-O 3.47Å; M26-T89 WeakPolarHBondContact CE-O 3.35Å; M26-R90 HydrophobicContact CE-CB 4.26Å; M26-R90 HydrophobicContact SD-CB 4.08Å; M26-R90 HydrophobicContact SD-CG 4.05Å
27	S	97.4	Very high	95.4	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.007	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.2	-173.7	-39.8	0	0	0	0	111.5	G41 E42 C88 T89	S27-G41 CarbonylContact C-O 3.56Å; S27-G41 VanDerWaalsContact CA-O 3.27Å; S27-G41 WeakPolarHBondContact CA-O 3.43Å; S27-G41 WeakPolarHBondContact CB-O 3.38Å; S27-E42 WeakPolarHBondContact OG-CB 3.41Å; S27-C88 CarbonylContact O-C 3.56Å; S27-C88 WeakPolarHBondContact O-CA 3.26Å; S27-T89 PolarHBondContact N-O 3.44Å; S27-T89 PolarHBondContact O-N 3.07Å
28	W	97.9	Very high	95.4	Very high	6 Å²	6	61.1 Å²	61.1	2%	0.023	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.2	167.1	-78.6	101.7	0	0	0	110.3	L12 C14 I40 G41 L71 Y72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.96Å; L12-W28 HydrophobicContact CB-CZ2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 4.45Å; C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 4.09Å; W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.19Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 3.48Å; W28-G41 PolarHBondContact N-O 2.91Å; W28-L71 HydrophobicContact CD2-CD2 4.21Å; W28-L71 HydrophobicContact CG-CD2 4.18Å; W28-L71 HydrophobicContact CZ2-CD2 4.21Å; W28-L71 HydrophobicContact CZ2-CG 4.27Å; W28-L71 VanDerWaalsContact NE1-CG 3.31Å; W28-Y72 PolarHBondContact NE1-O 3.47Å; W28-Y72 VanDerWaalsContact NE1-O 3.16Å; W28-L73 HydrophobicContact CB-CD1 4.3Å; W28-L73 HydrophobicContact CB-CD2 4.46Å; W28-L73 HydrophobicContact CD2-CB 3.88Å; W28-L73 HydrophobicContact CD2-CD1 4.49Å; W28-L73 HydrophobicContact CD2-CD2 4.1Å; W28-L73 HydrophobicContact CD2-CG 4.4Å; W28-L73 HydrophobicContact CE3-CB 4.49Å; W28-L73 HydrophobicContact CE3-CD2 4.27Å; W28-L73 HydrophobicContact CG-CB 4.19Å; W28-L73 HydrophobicContact CG-CD1 3.95Å; W28-L73 HydrophobicContact CG-CD2 4.19Å; W28-L73 HydrophobicContact CG-CG 4.36Å; W28-L73 HydrophobicContact CZ2-CB 3.89Å; W28-Y87 WeakPolarHBondContact CA-O 3.11Å; W28-C88 HydrophobicContact CE3-CB 4.42Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ3-CB 4.28Å
29	V	97.2	Very high	95.5	Very high	19 Å²	19	61.1 Å²	61.1	12%	0.115	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.9	175.5	-178.5	0	0	0	0	107.4	L37 E38 Y87 T89	V29-L37 HydrophobicContact CG1-CB 3.89Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.4Å; V29-E38 CarbonylContact C-O 3.51Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-E38 WeakPolarHBondContact CG1-O 3.47Å; V29-Y87 PolarHBondContact N-O 2.79Å; V29-Y87 PolarHBondContact O-N 2.97Å; V29-T89 HydrophobicContact CG2-CG2 4.36Å
30	R	96.1	Very high	95.8	Very high	23 Å²	23	58.6 Å²	58.6	9%	0.087	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	156.5	171.9	67.1	177.1	-171	177.9	2.6	112.5	E38 I40 L56 D82 A84 L85 Y86	R30-E38 HydrophobicContact CG-CB 4.18Å; R30-E38 IonicContact CZ-OE2 3.77Å; R30-E38 PolarHBondContact N-O 2.82Å; R30-E38 IonicContact NE-OE2 3.5Å; R30-E38 PolarHBondContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE1 3.2Å; R30-E38 IonicContact NH2-OE2 3.63Å; R30-E38 PolarHBondContact NH2-OE2 3.46Å; R30-E38 PolarHBondContact O-N 2.86Å; R30-I40 HydrophobicContact CB-CD1 3.93Å; R30-I40 HydrophobicContact CB-CG1 4.41Å; R30-I40 HydrophobicContact CG-CD1 3.99Å; R30-I40 HydrophobicContact CG-CG1 4.02Å; R30-L56 VanDerWaalsContact NH2-CD2 3.31Å; R30-D82 IonicContact NH1-OD1 2.78Å; R30-D82 PolarHBondContact NH1-OD1 3.5Å; R30-A84 HydrophobicContact CB-CB 3.93Å; R30-A84 HydrophobicContact CG-CB 4.47Å; R30-L85 CarbonylContact C-O 3.44Å; R30-L85 WeakPolarHBondContact CA-O 3.26Å; R30-Y86 HydrophobicContact CB-CD1 3.86Å; R30-Y86 HydrophobicContact CB-CE1 3.84Å; R30-Y86 HydrophobicContact CB-CG 4.36Å
31	Q	96.8	Very high	95.9	Very high	69 Å²	69	55.2 Å²	55.2	32%	0.322	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	104.6	174.3	-167.2	178.7	20.1	0	0	109.4	K35 L37 A84 L85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.45Å; Q31-L37 HydrophobicContact CB-CD2 4.07Å; Q31-L37 HydrophobicContact CG-CD2 4.38Å; Q31-A84 WeakPolarHBondContact O-CA 3.48Å; Q31-A84 WeakPolarHBondContact O-CB 3.27Å; Q31-L85 PolarHBondContact N-O 2.62Å; Q31-L85 PolarHBondContact O-N 2.75Å; Q31-Y87 HydrophobicContact CB-CE2 3.93Å; Q31-Y87 PolarHBondContact OE1-OH 2.8Å
32	A	95.3	Very high	96	Very high	18 Å²	18	56.5 Å²	56.5	15%	0.149	31%	0.307	C	S	.	.			trans	-74.2	153	172.7	0	0	0	0	0	110.3	G34 K35 A84	A32-G34 PolarHBondContact O-N 2.89Å; A32-K35 HydrophobicContact CB-CB 4.2Å; A32-K35 HydrophobicContact CB-CD 4.07Å; A32-K35 HydrophobicContact CB-CG 4.19Å; A32-K35 PolarHBondContact O-N 3.29Å; A32-A84 HydrophobicContact CB-CB 4.36Å
33	P	94.9	Very high	96.2	Very high	108 Å²	108	54.4 Å²	54.4	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	128	175.1	-26.2	34.9	0	0	0	111.8	K35 T83	P33-K35 PolarHBondContact O-N 2Å; P33-T83 WeakPolarHBondContact CD-O 3.45Å
34	G	95.4	Very high	96.2	Very high	94 Å²	94	46 Å²	46	97%	0.969	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	5.9	-179.1	0	0	0	0	0	115.6	A32	A32-G34 PolarHBondContact O-N 2.89Å
35	K	94.1	Very high	96.3	Very high	146 Å²	146	44.1 Å²	44.1	64%	0.635	26%	0.259	S	S	*	.			trans	-113	159.2	175.8	-60.6	-164.7	-178	179.8	0	112	Q31 A32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.45Å; A32-K35 HydrophobicContact CB-CB 4.2Å; A32-K35 HydrophobicContact CB-CD 4.07Å; A32-K35 HydrophobicContact CB-CG 4.19Å; A32-K35 PolarHBondContact O-N 3.29Å; P33-K35 PolarHBondContact O-N 2Å
36	G	94.8	Very high	96.3	Very high	56 Å²	56	47.7 Å²	47.7	58%	0.577	28%	0.28	S	S	*	.			trans	-69.6	179.9	169.4	0	0	0	0	0	112.7
37	L	95.6	Very high	96.3	Very high	121 Å²	121	50 Å²	50	63%	0.634	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.7	171.9	-66	172.5	0	0	0	110	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.89Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.4Å; Q31-L37 HydrophobicContact CB-CD2 4.07Å; Q31-L37 HydrophobicContact CG-CD2 4.38Å; L37-Y87 HydrophobicContact CD2-CD2 4.31Å; L37-Y87 HydrophobicContact CD2-CE2 4.14Å
38	E	95.6	Very high	96.3	Very high	63 Å²	63	54 Å²	54	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.3	175.2	-175.7	-178.6	-159.7	0	0	108.7	V29 R30 L56	V29-E38 CarbonylContact C-O 3.51Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-E38 WeakPolarHBondContact CG1-O 3.47Å; R30-E38 HydrophobicContact CG-CB 4.18Å; R30-E38 IonicContact CZ-OE2 3.77Å; R30-E38 PolarHBondContact N-O 2.82Å; R30-E38 IonicContact NE-OE2 3.5Å; R30-E38 PolarHBondContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE1 3.2Å; R30-E38 IonicContact NH2-OE2 3.63Å; R30-E38 PolarHBondContact NH2-OE2 3.46Å; R30-E38 PolarHBondContact O-N 2.86Å; E38-L56 HydrophobicContact CG-CD1 4.25Å
39	W	96.6	Very high	96.3	Very high	87 Å²	87	56.4 Å²	56.4	33%	0.33	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.1	174.5	-178.6	84.9	0	0	0	109.9	G41 E42 N51 T53	W39-G41 VanDerWaalsContact CZ2-C 3.46Å; W39-G41 VanDerWaalsContact CZ2-CA 3.45Å; W39-E42 HydrophobicContact CH2-CG 4.41Å; W39-E42 HydrophobicContact CZ2-CB 3.86Å; W39-E42 HydrophobicContact CZ2-CG 3.64Å; W39-N51 HydrophobicContact CH2-CB 3.8Å; W39-N51 HydrophobicContact CZ2-CB 4.43Å; W39-T53 VanDerWaalsContact CE3-OG1 3.26Å; W39-T53 WeakPolarHBondContact O-CB 3.23Å; W39-T53 PolarHBondContact O-OG1 2.83Å
40	I	96.8	Very high	96.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-47.4	179.5	-63.9	174.3	0	0	0	110.1	W28 R30 Y52 T53 L56 F60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.19Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 3.48Å; R30-I40 HydrophobicContact CB-CD1 3.93Å; R30-I40 HydrophobicContact CB-CG1 4.41Å; R30-I40 HydrophobicContact CG-CD1 3.99Å; R30-I40 HydrophobicContact CG-CG1 4.02Å; I40-Y52 WeakPolarHBondContact O-CA 3.39Å; I40-T53 PolarHBondContact O-N 2.8Å; I40-L56 HydrophobicContact CB-CD1 4.46Å; I40-L56 HydrophobicContact CG1-CD1 4.1Å; I40-F60 HydrophobicContact CD1-CE1 4.48Å; I40-F60 HydrophobicContact CG2-CB 3.98Å; I40-F60 HydrophobicContact CG2-CD2 3.9Å; I40-F60 HydrophobicContact CG2-CG 3.91Å; I40-L73 HydrophobicContact CD1-CD2 3.87Å; I40-L73 HydrophobicContact CG2-CD1 4.31Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.66Å
41	G	97.1	Very high	96.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	176.1	-172.2	0	0	0	0	0	112.1	S27 W28 W39 N51	S27-G41 CarbonylContact C-O 3.56Å; S27-G41 VanDerWaalsContact CA-O 3.27Å; S27-G41 WeakPolarHBondContact CA-O 3.43Å; S27-G41 WeakPolarHBondContact CB-O 3.38Å; W28-G41 PolarHBondContact N-O 2.91Å; W39-G41 VanDerWaalsContact CZ2-C 3.46Å; W39-G41 VanDerWaalsContact CZ2-CA 3.45Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.35Å
42	E	97.4	Very high	96.3	Very high	27 Å²	27	59.4 Å²	59.4	13%	0.126	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	157.1	179.6	70.3	-171.6	173.1	0	0	111.9	W25 M26 S27 W39 I50 N51	W25-E42 HydrophobicContact CE3-CB 4.26Å; W25-E42 VanDerWaalsContact CE3-CD 3.43Å; W25-E42 HydrophobicContact CE3-CG 3.53Å; W25-E42 HydrophobicContact CZ3-CG 3.65Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.37Å; M26-E42 CarbonylContact O-C 3.55Å; M26-E42 VanDerWaalsContact O-CA 3.22Å; M26-E42 WeakPolarHBondContact O-CA 3.5Å; M26-E42 WeakPolarHBondContact O-CB 2.99Å; S27-E42 WeakPolarHBondContact OG-CB 3.41Å; W39-E42 HydrophobicContact CH2-CG 4.41Å; W39-E42 HydrophobicContact CZ2-CB 3.86Å; W39-E42 HydrophobicContact CZ2-CG 3.64Å; E42-I50 CarbonylContact O-C 3.42Å; E42-I50 VanDerWaalsContact O-CA 3.28Å; E42-I50 WeakPolarHBondContact O-CA 3.38Å; E42-I50 VanDerWaalsContact O-CG2 3.25Å; E42-I50 WeakPolarHBondContact O-CG2 2.95Å; E42-N51 HydrophobicContact CG-CB 4.08Å; E42-N51 PolarHBondContact N-O 2.84Å; E42-N51 PolarHBondContact O-N 2.86Å; E42-N51 PolarHBondContact OE1-ND2 2.87Å; E42-N51 VanDerWaalsContact OE1-ND2 3.09Å
43	I	97.8	Very high	96.3	Very high	3 Å²	3	60 Å²	60	2%	0.015	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.8	178.9	-175	161.1	0	0	0	109.9	W25 M26 I50 I62 R64 L71	W25-I43 WeakPolarHBondContact CA-O 3.42Å; M26-I43 HydrophobicContact CB-CG2 4.36Å; M26-I43 PolarHBondContact N-O 2.98Å; M26-I43 PolarHBondContact O-N 3.37Å; I43-I50 HydrophobicContact CB-CG1 4.39Å; I43-I50 HydrophobicContact CD1-CD1 3.86Å; I43-I50 HydrophobicContact CD1-CG1 3.96Å; I43-I50 HydrophobicContact CG1-CD1 4.44Å; I43-I50 HydrophobicContact CG1-CG1 3.97Å; I43-I62 HydrophobicContact CB-CG2 3.87Å; I43-I62 HydrophobicContact CG2-CG2 3.63Å; I43-R64 HydrophobicContact CD1-CG 3.94Å; I43-R64 HydrophobicContact CG1-CG 4.37Å; I43-R64 HydrophobicContact CG2-CB 4.44Å; I43-R64 HydrophobicContact CG2-CG 4.5Å; I43-L71 HydrophobicContact CG2-CD1 3.53Å
44	N	96.4	Very high	96.2	Very high	13 Å²	13	60.3 Å²	60.3	7%	0.07	36%	0.36	C	S	.	.			trans	-76.8	166.2	-179.8	78	-28.3	0	0	0	112.2	W25 D46 S47 S48 T49 R64	W25-N44 HydrophobicContact CD2-CB 3.64Å; W25-N44 HydrophobicContact CE3-CB 3.97Å; W25-N44 HydrophobicContact CG-CB 4.32Å; W25-N44 HydrophobicContact CH2-CB 3.74Å; W25-N44 HydrophobicContact CZ2-CB 3.36Å; W25-N44 HydrophobicContact CZ3-CB 4.02Å; N44-D46 VanDerWaalsContact C-N 3.33Å; N44-D46 PolarHBondContact ND2-OD1 2.88Å; N44-D46 PolarHBondContact O-N 3.15Å; N44-D46 PolarHBondContact OD1-OD1 3.29Å; N44-D46 VanDerWaalsContact OD1-OD1 3.13Å; N44-S47 PolarHBondContact O-N 2.97Å; N44-S47 VanDerWaalsContact O-N 3.15Å; N44-S47 VanDerWaalsContact OD1-C 3.27Å; N44-S47 WeakPolarHBondContact OD1-CA 3Å; N44-S47 PolarHBondContact OD1-N 2.94Å; N44-S48 PolarHBondContact ND2-OG 2.89Å; N44-S48 PolarHBondContact OD1-N 3.09Å; N44-T49 PolarHBondContact N-O 2.83Å; N44-T49 VanDerWaalsContact N-O 3.12Å; N44-T49 PolarHBondContact OD1-N 2.9Å; N44-T49 PolarHBondContact OD1-O 2.87Å; N44-T49 VanDerWaalsContact OD1-O 3.13Å; N44-R64 VanDerWaalsContact C-NH1 3.33Å; N44-R64 WeakPolarHBondContact O-CD 3.43Å; N44-R64 PolarHBondContact O-NH1 2.96Å
45	P	96.8	Very high	96	Very high	35 Å²	35	59.8 Å²	59.8	23%	0.227	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-47.9	179	-41.7	43.9	0	0	0	116.8	S22 R64 N66	S22-P45 VanDerWaalsContact O-CB 3.26Å; S22-P45 WeakPolarHBondContact O-CB 3.41Å; P45-R64 PolarHBondContact O-NE 2.92Å; P45-N66 PolarHBondContact O-ND2 2.98Å
46	D	95.8	Very high	95.8	Very high	109 Å²	109	53 Å²	53	58%	0.583	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	3.5	-174.5	65.9	11	0	0	0	113.4	N44 S48	N44-D46 VanDerWaalsContact C-N 3.33Å; N44-D46 PolarHBondContact ND2-OD1 2.88Å; N44-D46 PolarHBondContact O-N 3.15Å; N44-D46 PolarHBondContact OD1-OD1 3.29Å; N44-D46 VanDerWaalsContact OD1-OD1 3.13Å; D46-S48 PolarHBondContact O-N 3.12Å; D46-S48 VanDerWaalsContact OD1-CB 3.25Å; D46-S48 WeakPolarHBondContact OD1-CB 3.31Å; D46-S48 PolarHBondContact OD1-N 3.47Å; D46-S48 PolarHBondContact OD1-OG 3.17Å; D46-S48 PolarHBondContact OD2-OG 3.02Å
47	S	96.8	Very high	95.6	Very high	51 Å²	51	56.5 Å²	56.5	36%	0.357	31%	0.311	S	S	.	.	S	Bend	trans	62.6	11	-177.7	-46.5	0	0	0	0	115.6	N44 T49 R64	N44-S47 PolarHBondContact O-N 2.97Å; N44-S47 VanDerWaalsContact O-N 3.15Å; N44-S47 VanDerWaalsContact OD1-C 3.27Å; N44-S47 WeakPolarHBondContact OD1-CA 3Å; N44-S47 PolarHBondContact OD1-N 2.94Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact O-N 3.17Å; S47-R64 WeakPolarHBondContact OG-CD 3.49Å; S47-R64 WeakPolarHBondContact OG-CG 3.28Å
48	S	97.2	Very high	95.3	Very high	85 Å²	85	58.2 Å²	58.2	59%	0.594	32%	0.32	S	S	*	.	S	Bend	trans	-72.1	-23.5	177.3	62.8	0	0	0	0	113.1	N44 D46	N44-S48 PolarHBondContact ND2-OG 2.89Å; N44-S48 PolarHBondContact OD1-N 3.09Å; D46-S48 PolarHBondContact O-N 3.12Å; D46-S48 VanDerWaalsContact OD1-CB 3.25Å; D46-S48 WeakPolarHBondContact OD1-CB 3.31Å; D46-S48 PolarHBondContact OD1-N 3.47Å; D46-S48 PolarHBondContact OD1-OG 3.17Å; D46-S48 PolarHBondContact OD2-OG 3.02Å
49	T	97.1	Very high	95.2	Very high	57 Å²	57	58 Å²	58	35%	0.35	32%	0.318	S	S	.	.			trans	-127.4	130.8	-179.1	-55.8	0	0	0	0	110.6	W25 N44 S47	W25-T49 HydrophobicContact CH2-CG2 3.95Å; N44-T49 PolarHBondContact N-O 2.83Å; N44-T49 VanDerWaalsContact N-O 3.12Å; N44-T49 PolarHBondContact OD1-N 2.9Å; N44-T49 PolarHBondContact OD1-O 2.87Å; N44-T49 VanDerWaalsContact OD1-O 3.13Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact O-N 3.17Å
50	I	97.2	Very high	95	Very high	62 Å²	62	54 Å²	54	32%	0.318	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.3	172.6	-45.3	179.5	0	0	0	108.7	E42 I43 Y52 I62	E42-I50 CarbonylContact O-C 3.42Å; E42-I50 VanDerWaalsContact O-CA 3.28Å; E42-I50 WeakPolarHBondContact O-CA 3.38Å; E42-I50 VanDerWaalsContact O-CG2 3.25Å; E42-I50 WeakPolarHBondContact O-CG2 2.95Å; I43-I50 HydrophobicContact CB-CG1 4.39Å; I43-I50 HydrophobicContact CD1-CD1 3.86Å; I43-I50 HydrophobicContact CD1-CG1 3.96Å; I43-I50 HydrophobicContact CG1-CD1 4.44Å; I43-I50 HydrophobicContact CG1-CG1 3.97Å; I50-Y52 HydrophobicContact CB-CE2 3.94Å; I50-Y52 HydrophobicContact CG2-CD2 4.02Å; I50-Y52 HydrophobicContact CG2-CE1 4.4Å; I50-Y52 HydrophobicContact CG2-CE2 3.28Å; I50-I62 HydrophobicContact CG2-CB 4.2Å; I50-I62 HydrophobicContact CG2-CD1 4.49Å
51	N	96.6	Very high	95	Very high	67 Å²	67	58.1 Å²	58.1	36%	0.358	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	146.6	174.9	-59.5	-41.1	0	0	0	109.5	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 3.8Å; W39-N51 HydrophobicContact CZ2-CB 4.43Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.35Å; E42-N51 HydrophobicContact CG-CB 4.08Å; E42-N51 PolarHBondContact N-O 2.84Å; E42-N51 PolarHBondContact O-N 2.86Å; E42-N51 PolarHBondContact OE1-ND2 2.87Å; E42-N51 VanDerWaalsContact OE1-ND2 3.09Å
52	Y	96.7	Very high	95	Very high	45 Å²	45	58.3 Å²	58.3	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.7	178.9	-69.4	-88.8	0	0	0	110.7	I40 I50 K57 F60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.39Å; I50-Y52 HydrophobicContact CB-CE2 3.94Å; I50-Y52 HydrophobicContact CG2-CD2 4.02Å; I50-Y52 HydrophobicContact CG2-CE1 4.4Å; I50-Y52 HydrophobicContact CG2-CE2 3.28Å; Y52-K57 HydrophobicContact CD2-CG 4.01Å; Y52-K57 HydrophobicContact CG-CB 4.2Å; Y52-K57 HydrophobicContact CG-CG 4.11Å; Y52-F60 VanDerWaalsContact CE1-O 3.3Å; Y52-F60 WeakPolarHBondContact CE1-O 3.42Å; Y52-I62 HydrophobicContact CD1-CD1 4.3Å; Y52-I62 HydrophobicContact CE1-CB 4.47Å; Y52-I62 HydrophobicContact CE1-CD1 3.8Å; Y52-I62 HydrophobicContact CE1-CG1 3.81Å; Y52-I62 PolarHBondContact OH-N 3.07Å
53	T	95.2	Very high	95.1	Very high	30 Å²	30	58.8 Å²	58.8	18%	0.184	33%	0.332	C	S	.	.			trans	-62.4	126.4	157.9	-68.2	0	0	0	0	108.5	W39 I40 S55 L56 K57	W39-T53 VanDerWaalsContact CE3-OG1 3.26Å; W39-T53 WeakPolarHBondContact O-CB 3.23Å; W39-T53 PolarHBondContact O-OG1 2.83Å; I40-T53 PolarHBondContact O-N 2.8Å; T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.39Å; T53-S55 PolarHBondContact O-N 3.05Å; T53-S55 VanDerWaalsContact O-N 3.12Å; T53-L56 HydrophobicContact CG2-CD1 4.35Å; T53-L56 HydrophobicContact CG2-CG 4.19Å; T53-L56 PolarHBondContact O-N 3.03Å; T53-K57 PolarHBondContact O-N 2.83Å
54	P	93.5	Very high	95.1	Very high	116 Å²	116	59.9 Å²	59.9	75%	0.753	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.8	-172.8	-30.8	35.8	0	0	0	114.6	L56	P54-L56 PolarHBondContact O-N 2.95Å
55	S	90.9	Very high	95.2	Very high	82 Å²	82	61.1 Å²	61.1	57%	0.573	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.9	179.4	56.8	0	0	0	0	114.6	T53	T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.39Å; T53-S55 PolarHBondContact O-N 3.05Å; T53-S55 VanDerWaalsContact O-N 3.12Å
56	L	90.6	Very high	95.2	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-12.5	-174	-57	-175.3	0	0	0	113	R30 E38 I40 T53 P54 D58 K59 F60	R30-L56 VanDerWaalsContact NH2-CD2 3.31Å; E38-L56 HydrophobicContact CG-CD1 4.25Å; I40-L56 HydrophobicContact CB-CD1 4.46Å; I40-L56 HydrophobicContact CG1-CD1 4.1Å; T53-L56 HydrophobicContact CG2-CD1 4.35Å; T53-L56 HydrophobicContact CG2-CG 4.19Å; T53-L56 PolarHBondContact O-N 3.03Å; P54-L56 PolarHBondContact O-N 2.95Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3.16Å; L56-K59 PolarHBondContact O-N 3.11Å; L56-F60 HydrophobicContact CB-CD2 3.9Å; L56-F60 HydrophobicContact CB-CE2 4.12Å; L56-F60 HydrophobicContact CD1-CE2 4.46Å; L56-F60 HydrophobicContact CD2-CE2 4.12Å; L56-F60 HydrophobicContact CG-CE2 4.46Å; L56-F60 WeakPolarHBondContact O-CD2 3.41Å; L56-F60 PolarHBondContact O-N 2.8Å
57	K	89.6	Confident	95.2	Very high	130 Å²	130	61.8 Å²	61.8	57%	0.565	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.9	-175.4	-176.7	-179.3	175.7	-175.9	0	113.8	Y52 T53 K59	Y52-K57 HydrophobicContact CD2-CG 4.01Å; Y52-K57 HydrophobicContact CG-CB 4.2Å; Y52-K57 HydrophobicContact CG-CG 4.11Å; T53-K57 PolarHBondContact O-N 2.83Å; K57-K59 VanDerWaalsContact C-N 3.33Å
58	D	90.6	Very high	95.3	Very high	156 Å²	156	65.5 Å²	65.5	83%	0.834	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-6.2	-176.2	-58.4	-34.6	0	0	0	113.4	L56	L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3.16Å
59	K	91.6	Very high	95.3	Very high	58 Å²	58	64.4 Å²	64.4	25%	0.252	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-31.6	-178.1	-66.2	-173.8	173.7	-169.5	0	113.1	L56 K57 E81 D82	L56-K59 PolarHBondContact O-N 3.11Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K59-E81 IonicContact NZ-OE2 3.84Å; K59-D82 IonicContact NZ-OD1 2.75Å
60	F	94.1	Very high	95.4	Very high	3 Å²	3	62.4 Å²	62.4	1%	0.013	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.1	-171.2	-60	-82.7	0	0	0	111.7	I40 Y52 L56 L73 Q74 M75 Y86	I40-F60 HydrophobicContact CD1-CE1 4.48Å; I40-F60 HydrophobicContact CG2-CB 3.98Å; I40-F60 HydrophobicContact CG2-CD2 3.9Å; I40-F60 HydrophobicContact CG2-CG 3.91Å; Y52-F60 VanDerWaalsContact CE1-O 3.3Å; Y52-F60 WeakPolarHBondContact CE1-O 3.42Å; L56-F60 HydrophobicContact CB-CD2 3.9Å; L56-F60 HydrophobicContact CB-CE2 4.12Å; L56-F60 HydrophobicContact CD1-CE2 4.46Å; L56-F60 HydrophobicContact CD2-CE2 4.12Å; L56-F60 HydrophobicContact CG-CE2 4.46Å; L56-F60 WeakPolarHBondContact O-CD2 3.41Å; L56-F60 PolarHBondContact O-N 2.8Å; F60-L73 HydrophobicContact CB-CD1 3.83Å; F60-L73 HydrophobicContact CD1-CD1 4.02Å; F60-L73 HydrophobicContact CD1-CD2 3.75Å; F60-L73 HydrophobicContact CD1-CG 3.87Å; F60-L73 HydrophobicContact CE1-CD2 4.14Å; F60-L73 HydrophobicContact CG-CD1 4.25Å; F60-Q74 CarbonylContact C-O 3.57Å; F60-Q74 WeakPolarHBondContact CA-O 3.37Å; F60-M75 HydrophobicContact CD1-CG 3.37Å; F60-M75 HydrophobicContact CD1-SD 4.25Å; F60-M75 HydrophobicContact CE1-CG 3.32Å; F60-M75 HydrophobicContact CE1-SD 3.69Å; F60-M75 HydrophobicContact CZ-CG 4.5Å; F60-Y86 AromaticContact CE1-CE1 3.82Å; F60-Y86 HydrophobicContact CE1-CE1 3.82Å; F60-Y86 HydrophobicContact CZ-CE1 4.26Å
61	I	96.2	Very high	95.4	Very high	88 Å²	88	59.4 Å²	59.4	45%	0.451	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	114.7	172.2	-57.2	171.3	0	0	0	108	Q74	I61-Q74 HydrophobicContact CB-CB 4.21Å; I61-Q74 PolarHBondContact N-O 3.13Å; I61-Q74 PolarHBondContact O-N 3Å
62	I	97.7	Very high	95.5	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.015	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.1	174.6	-58.9	173.1	0	0	0	108.8	I43 I50 Y52 L71 L73	I43-I62 HydrophobicContact CB-CG2 3.87Å; I43-I62 HydrophobicContact CG2-CG2 3.63Å; I50-I62 HydrophobicContact CG2-CB 4.2Å; I50-I62 HydrophobicContact CG2-CD1 4.49Å; Y52-I62 HydrophobicContact CD1-CD1 4.3Å; Y52-I62 HydrophobicContact CE1-CB 4.47Å; Y52-I62 HydrophobicContact CE1-CD1 3.8Å; Y52-I62 HydrophobicContact CE1-CG1 3.81Å; Y52-I62 PolarHBondContact OH-N 3.07Å; I62-L71 HydrophobicContact CG2-CD1 4.02Å; I62-L73 HydrophobicContact CG1-CD1 3.66Å
63	S	98.1	Very high	95.5	Very high	38 Å²	38	56 Å²	56	27%	0.266	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	162	171.5	52.1	0	0	0	0	110.3	Y72	S63-Y72 PolarHBondContact N-O 2.73Å; S63-Y72 VanDerWaalsContact N-O 3.11Å; S63-Y72 PolarHBondContact O-N 2.98Å
64	R	98.2	Very high	95.6	Very high	25 Å²	25	58.1 Å²	58.1	9%	0.094	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.9	-179.1	63.7	-175.9	-68.1	159.3	3.3	111.3	F21 Y24 I43 N44 P45 S47 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.33Å; F21-R64 HydrophobicContact CE1-CB 4.14Å; F21-R64 VanDerWaalsContact CE1-NH2 3.3Å; F21-R64 HydrophobicContact CZ-CB 4.13Å; F21-R64 PolarHBondContact O-NH2 2.63Å; Y24-R64 PolarHBondContact O-NH1 2.84Å; I43-R64 HydrophobicContact CD1-CG 3.94Å; I43-R64 HydrophobicContact CG1-CG 4.37Å; I43-R64 HydrophobicContact CG2-CB 4.44Å; I43-R64 HydrophobicContact CG2-CG 4.5Å; N44-R64 VanDerWaalsContact C-NH1 3.33Å; N44-R64 WeakPolarHBondContact O-CD 3.43Å; N44-R64 PolarHBondContact O-NH1 2.96Å; P45-R64 PolarHBondContact O-NE 2.92Å; S47-R64 WeakPolarHBondContact OG-CD 3.49Å; S47-R64 WeakPolarHBondContact OG-CG 3.28Å; R64-N66 PolarHBondContact NE-OD1 2.9Å; R64-N66 PolarHBondContact NH2-OD1 3.01Å; R64-T70 CarbonylContact C-O 3.57Å; R64-T70 WeakPolarHBondContact CA-O 3.23Å; R64-L71 HydrophobicContact CB-CD1 4.14Å
65	D	97.9	Very high	95.5	Very high	39 Å²	39	52.9 Å²	52.9	21%	0.209	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	106.9	171.2	-177	-25.1	0	0	0	108.3	A67 K68 N69 T70 Y72	D65-A67 WeakPolarHBondContact OD1-CB 3.22Å; D65-A67 PolarHBondContact OD1-N 2.82Å; D65-K68 HydrophobicContact CB-CB 4.22Å; D65-K68 PolarHBondContact O-N 3.11Å; D65-K68 PolarHBondContact OD1-N 3Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CD 3.3Å; D65-K68 VanDerWaalsContact OD2-CE 3.26Å; D65-K68 WeakPolarHBondContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CG 3.37Å; D65-K68 IonicContact OD2-NZ 2.75Å; D65-K68 PolarHBondContact OD2-NZ 3.11Å; D65-N69 PolarHBondContact O-N 3.18Å; D65-T70 PolarHBondContact N-O 2.76Å; D65-T70 PolarHBondContact O-N 3.14Å; D65-Y72 HydrophobicContact CB-CE2 3.83Å
66	N	97.6	Very high	95.4	Very high	60 Å²	60	51.8 Å²	51.8	32%	0.321	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-29.3	-177.6	-72.6	-15.8	0	0	0	112.5	F21 P45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.47Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.45Å; P45-N66 PolarHBondContact O-ND2 2.98Å; R64-N66 PolarHBondContact NE-OD1 2.9Å; R64-N66 PolarHBondContact NH2-OD1 3.01Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 3.07Å; N66-N69 PolarHBondContact O-N 2.76Å; N66-N69 PolarHBondContact O-OD1 3.32Å
67	A	96.9	Very high	95.3	Very high	98 Å²	98	56.7 Å²	56.7	81%	0.81	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-28.5	176.8	0	0	0	0	0	111.6	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.22Å; D65-A67 PolarHBondContact OD1-N 2.82Å
68	K	97.6	Very high	95.3	Very high	129 Å²	129	51.4 Å²	51.4	56%	0.561	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	1.9	177.9	-61.6	-176.3	-167	124.6	0	114.1	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.22Å; D65-K68 PolarHBondContact O-N 3.11Å; D65-K68 PolarHBondContact OD1-N 3Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CD 3.3Å; D65-K68 VanDerWaalsContact OD2-CE 3.26Å; D65-K68 WeakPolarHBondContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CG 3.37Å; D65-K68 IonicContact OD2-NZ 2.75Å; D65-K68 PolarHBondContact OD2-NZ 3.11Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 3.07Å; K68-T70 PolarHBondContact O-N 2.85Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 2.87Å
69	N	97.6	Very high	95.3	Very high	62 Å²	62	50.1 Å²	50.1	33%	0.332	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	39.6	-171.7	-61.5	-37.8	0	0	0	112.8	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 3.24Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 WeakPolarHBondContact CB-OD1 3.28Å; F21-N69 HydrophobicContact CG-CB 4.2Å; D65-N69 PolarHBondContact O-N 3.18Å; N66-N69 PolarHBondContact O-N 2.76Å; N66-N69 PolarHBondContact O-OD1 3.32Å
70	T	98.3	Very high	95.2	Very high	15 Å²	15	51.7 Å²	51.7	9%	0.092	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.4	-170.4	-59.2	0	0	0	0	111.6	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.53Å; C14-T70 VanDerWaalsContact O-CA 3.31Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; R64-T70 CarbonylContact C-O 3.57Å; R64-T70 WeakPolarHBondContact CA-O 3.23Å; D65-T70 PolarHBondContact N-O 2.76Å; D65-T70 PolarHBondContact O-N 3.14Å; K68-T70 PolarHBondContact O-N 2.85Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 2.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.05Å; T70-Y72 HydrophobicContact CG2-CD2 4.49Å; T70-Y72 HydrophobicContact CG2-CE1 3.44Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.44Å; T70-Y72 HydrophobicContact CG2-CE2 3.94Å
71	L	98.5	Very high	95	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141	169.7	-172	71.1	0	0	0	109.8	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 WeakPolarHBondContact CA-O 3.37Å; C14-L71 HydrophobicContact CB-CB 4.39Å; C14-L71 PolarHBondContact N-O 2.81Å; C14-L71 PolarHBondContact O-N 3.49Å; F21-L71 HydrophobicContact CE2-CB 4.25Å; F21-L71 HydrophobicContact CZ-CB 4.15Å; M26-L71 HydrophobicContact CB-CD1 3.81Å; M26-L71 HydrophobicContact CB-CD2 3.94Å; M26-L71 HydrophobicContact CB-CG 4.38Å; W28-L71 HydrophobicContact CD2-CD2 4.21Å; W28-L71 HydrophobicContact CG-CD2 4.18Å; W28-L71 HydrophobicContact CZ2-CD2 4.21Å; W28-L71 HydrophobicContact CZ2-CG 4.27Å; W28-L71 VanDerWaalsContact NE1-CG 3.31Å; I43-L71 HydrophobicContact CG2-CD1 3.53Å; I62-L71 HydrophobicContact CG2-CD1 4.02Å; R64-L71 HydrophobicContact CB-CD1 4.14Å; L71-C88 HydrophobicContact CD2-CB 3.98Å
72	Y	98.2	Very high	94.8	Very high	41 Å²	41	54 Å²	54	16%	0.161	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.3	178.4	-55.9	-77.1	0	0	0	111.8	K11 L12 W28 S63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 VanDerWaalsContact CE-CG 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.47Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.23Å; W28-Y72 PolarHBondContact NE1-O 3.47Å; W28-Y72 VanDerWaalsContact NE1-O 3.16Å; S63-Y72 PolarHBondContact N-O 2.73Å; S63-Y72 VanDerWaalsContact N-O 3.11Å; S63-Y72 PolarHBondContact O-N 2.98Å; D65-Y72 HydrophobicContact CB-CE2 3.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.05Å; T70-Y72 HydrophobicContact CG2-CD2 4.49Å; T70-Y72 HydrophobicContact CG2-CE1 3.44Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.44Å; T70-Y72 HydrophobicContact CG2-CE2 3.94Å
73	L	97.7	Very high	94.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	113.3	168.7	-169.7	69.3	0	0	0	108.3	K11 L12 W28 I40 F60 I62 Y86	K11-L73 CarbonylContact C-O 3.6Å; K11-L73 WeakPolarHBondContact CA-O 3.25Å; L12-L73 HydrophobicContact CB-CB 4.29Å; L12-L73 HydrophobicContact CD1-CD2 4.37Å; L12-L73 PolarHBondContact N-O 2.81Å; L12-L73 PolarHBondContact O-N 2.81Å; W28-L73 HydrophobicContact CB-CD1 4.3Å; W28-L73 HydrophobicContact CB-CD2 4.46Å; W28-L73 HydrophobicContact CD2-CB 3.88Å; W28-L73 HydrophobicContact CD2-CD1 4.49Å; W28-L73 HydrophobicContact CD2-CD2 4.1Å; W28-L73 HydrophobicContact CD2-CG 4.4Å; W28-L73 HydrophobicContact CE3-CB 4.49Å; W28-L73 HydrophobicContact CE3-CD2 4.27Å; W28-L73 HydrophobicContact CG-CB 4.19Å; W28-L73 HydrophobicContact CG-CD1 3.95Å; W28-L73 HydrophobicContact CG-CD2 4.19Å; W28-L73 HydrophobicContact CG-CG 4.36Å; W28-L73 HydrophobicContact CZ2-CB 3.89Å; I40-L73 HydrophobicContact CD1-CD2 3.87Å; I40-L73 HydrophobicContact CG2-CD1 4.31Å; F60-L73 HydrophobicContact CB-CD1 3.83Å; F60-L73 HydrophobicContact CD1-CD1 4.02Å; F60-L73 HydrophobicContact CD1-CD2 3.75Å; F60-L73 HydrophobicContact CD1-CG 3.87Å; F60-L73 HydrophobicContact CE1-CD2 4.14Å; F60-L73 HydrophobicContact CG-CD1 4.25Å; I62-L73 HydrophobicContact CG1-CD1 3.66Å; L73-Y86 HydrophobicContact CD2-CD1 3.62Å; L73-Y86 HydrophobicContact CD2-CE1 3.84Å
74	Q	95.9	Very high	94.4	Very high	73 Å²	73	57.6 Å²	57.6	34%	0.341	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.8	174.4	175	169.7	-14.7	0	0	109.9	F60 I61	F60-Q74 CarbonylContact C-O 3.57Å; F60-Q74 WeakPolarHBondContact CA-O 3.37Å; I61-Q74 HydrophobicContact CB-CB 4.21Å; I61-Q74 PolarHBondContact N-O 3.13Å; I61-Q74 PolarHBondContact O-N 3Å
75	M	92.8	Very high	94.3	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.03	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.6	177.6	-70.9	165.8	-83.8	0	0	108.8	S9 L10 L12 F60 V78 Y86	S9-M75 VanDerWaalsContact CA-O 3.28Å; S9-M75 WeakPolarHBondContact CA-O 3.46Å; S9-M75 WeakPolarHBondContact CB-O 3.43Å; L10-M75 HydrophobicContact CB-CB 4.49Å; L10-M75 HydrophobicContact CB-CE 3.85Å; L10-M75 HydrophobicContact CD2-CE 3.63Å; L10-M75 HydrophobicContact CG-CE 3.63Å; L10-M75 PolarHBondContact N-O 3.34Å; L10-M75 PolarHBondContact O-N 3.12Å; L12-M75 HydrophobicContact CD1-CE 3.59Å; L12-M75 HydrophobicContact CD2-CE 4.27Å; L12-M75 HydrophobicContact CG-CE 3.48Å; L12-M75 VanDerWaalsContact CG-CE 3.48Å; F60-M75 HydrophobicContact CD1-CG 3.37Å; F60-M75 HydrophobicContact CD1-SD 4.25Å; F60-M75 HydrophobicContact CE1-CG 3.32Å; F60-M75 HydrophobicContact CE1-SD 3.69Å; F60-M75 HydrophobicContact CZ-CG 4.5Å; M75-V78 HydrophobicContact CB-CG2 3.99Å; M75-Y86 HydrophobicContact SD-CE1 4.34Å
76	S	87.4	Confident	94.3	Very high	60 Å²	60	61.8 Å²	61.8	42%	0.42	33%	0.334	S	S	.	.	S	Bend	trans	-109	135.5	175.2	-63.2	0	0	0	0	109.4
77	I	88.3	Confident	94.2	Very high	107 Å²	107	63.2 Å²	63.2	55%	0.549	34%	0.335	S	S	.	.	S	Bend	trans	56.9	61.4	178.1	-44.8	176.5	0	0	0	110.8	G8 R79	G8-I77 WeakPolarHBondContact O-CA 3.36Å; G8-I77 PolarHBondContact O-N 2.98Å; G8-I77 VanDerWaalsContact O-N 3.15Å; I77-R79 WeakPolarHBondContact O-CG 3.36Å; I77-R79 PolarHBondContact O-N 2.96Å
78	V	90.8	Very high	94.2	Very high	18 Å²	18	60.6 Å²	60.6	11%	0.109	31%	0.311	C	S	.	.			trans	-56.5	129.9	-179.7	176.7	0	0	0	0	110.2	P6 G7 G8 L10 M75 D82	P6-V78 CarbonylContact C-O 3.58Å; P6-V78 VanDerWaalsContact CA-O 3.31Å; P6-V78 WeakPolarHBondContact CA-O 3.42Å; G7-V78 PolarHBondContact N-O 3.13Å; G8-V78 PolarHBondContact O-N 3.04Å; L10-V78 HydrophobicContact CB-CG2 4.09Å; M75-V78 HydrophobicContact CB-CG2 3.99Å; V78-D82 HydrophobicContact CG1-CB 4.5Å
79	R	90.6	Very high	94.1	Very high	129 Å²	129	57.1 Å²	57.1	49%	0.487	30%	0.3	S	S	.	.			trans	-112.8	166.1	176	-57.1	-177.7	-174.2	171.4	0.4	110.7	I77 E81 D82	I77-R79 WeakPolarHBondContact O-CG 3.36Å; I77-R79 PolarHBondContact O-N 2.96Å; R79-E81 PolarHBondContact O-N 3.27Å; R79-D82 PolarHBondContact N-OD2 3.08Å; R79-D82 WeakPolarHBondContact O-CB 3.2Å; R79-D82 PolarHBondContact O-N 3.05Å
80	S	89.4	Confident	94	Very high	92 Å²	92	58.9 Å²	58.9	64%	0.643	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-55.9	-36.2	174.2	51.9	0	0	0	0	112.3	D82 T83	S80-D82 PolarHBondContact O-N 3.15Å; S80-T83 VanDerWaalsContact O-CB 3.23Å; S80-T83 WeakPolarHBondContact O-CB 3.21Å; S80-T83 PolarHBondContact O-N 3.25Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 3.38Å
81	E	89.4	Confident	93.3	Very high	127 Å²	127	61.3 Å²	61.3	59%	0.593	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-59.8	-23.3	175.4	-64.3	165.9	-145.5	0	0	114.1	K59 R79 T83	K59-E81 IonicContact NZ-OE2 3.84Å; R79-E81 PolarHBondContact O-N 3.27Å; E81-T83 PolarHBondContact O-N 3.42Å
82	D	91.4	Very high	91.9	Very high	13 Å²	13	65.2 Å²	65.2	7%	0.07	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-86.8	1.9	-179.8	-54.6	-48.6	0	0	0	111.9	R30 K59 V78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 2.78Å; R30-D82 PolarHBondContact NH1-OD1 3.5Å; K59-D82 IonicContact NZ-OD1 2.75Å; V78-D82 HydrophobicContact CG1-CB 4.5Å; R79-D82 PolarHBondContact N-OD2 3.08Å; R79-D82 WeakPolarHBondContact O-CB 3.2Å; R79-D82 PolarHBondContact O-N 3.05Å; S80-D82 PolarHBondContact O-N 3.15Å; D82-A84 PolarHBondContact O-N 3.44Å; D82-A84 VanDerWaalsContact O-N 3.12Å; D82-Y86 WeakPolarHBondContact O-CE2 3.27Å; D82-Y86 PolarHBondContact O-OH 2.61Å
83	T	93.1	Very high	89.8	Confident	93 Å²	93	71.1 Å²	71.1	57%	0.571	36%	0.359	S	S	*	.			trans	-68.3	108.2	174.3	-54.3	0	0	0	0	110.1	P33 S80 E81	P33-T83 WeakPolarHBondContact CD-O 3.45Å; S80-T83 VanDerWaalsContact O-CB 3.23Å; S80-T83 WeakPolarHBondContact O-CB 3.21Å; S80-T83 PolarHBondContact O-N 3.25Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 3.38Å; E81-T83 PolarHBondContact O-N 3.42Å
84	A	94.9	Very high	87.5	Confident	23 Å²	23	81.6 Å²	81.6	19%	0.19	40%	0.4	C	S	.	.	S	Bend	trans	-156.9	164.6	-178.8	0	0	0	0	0	110.7	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.93Å; R30-A84 HydrophobicContact CG-CB 4.47Å; Q31-A84 WeakPolarHBondContact O-CA 3.48Å; Q31-A84 WeakPolarHBondContact O-CB 3.27Å; A32-A84 HydrophobicContact CB-CB 4.36Å; D82-A84 PolarHBondContact O-N 3.44Å; D82-A84 VanDerWaalsContact O-N 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-Y86 WeakPolarHBondContact O-CD2 3.21Å; A84-Y86 WeakPolarHBondContact O-CE2 3.4Å
85	L	96.3	Very high	84.9	Confident	105 Å²	105	81.5 Å²	81.5	55%	0.55	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.1	158.5	-66.2	174.5	0	0	0	108.5	R30 Q31 Y87	R30-L85 CarbonylContact C-O 3.44Å; R30-L85 WeakPolarHBondContact CA-O 3.26Å; Q31-L85 PolarHBondContact N-O 2.62Å; Q31-L85 PolarHBondContact O-N 2.75Å; L85-Y87 HydrophobicContact CB-CE2 3.82Å; L85-Y87 VanDerWaalsContact CD1-OH 3.25Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.43Å
86	Y	96.8	Very high	82.2	Confident	46 Å²	46	96.4 Å²	96.4	18%	0.18	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.1	-179	-71.4	-97.4	0	0	0	109.5	L12 R30 I40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 3.94Å; L12-Y86 HydrophobicContact CD1-CG 3.58Å; R30-Y86 HydrophobicContact CB-CD1 3.86Å; R30-Y86 HydrophobicContact CB-CE1 3.84Å; R30-Y86 HydrophobicContact CB-CG 4.36Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.66Å; F60-Y86 AromaticContact CE1-CE1 3.82Å; F60-Y86 HydrophobicContact CE1-CE1 3.82Å; F60-Y86 HydrophobicContact CZ-CE1 4.26Å; L73-Y86 HydrophobicContact CD2-CD1 3.62Å; L73-Y86 HydrophobicContact CD2-CE1 3.84Å; M75-Y86 HydrophobicContact SD-CE1 4.34Å; D82-Y86 WeakPolarHBondContact O-CE2 3.27Å; D82-Y86 PolarHBondContact O-OH 2.61Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-Y86 WeakPolarHBondContact O-CD2 3.21Å; A84-Y86 WeakPolarHBondContact O-CE2 3.4Å
87	Y	96.9	Very high	81.9	Confident	90 Å²	90	98.2 Å²	98.2	35%	0.353	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.2	-177.1	-51.9	-81.4	0	0	0	109.7	W28 V29 Q31 L37 L85	W28-Y87 WeakPolarHBondContact CA-O 3.11Å; V29-Y87 PolarHBondContact N-O 2.79Å; V29-Y87 PolarHBondContact O-N 2.97Å; Q31-Y87 HydrophobicContact CB-CE2 3.93Å; Q31-Y87 PolarHBondContact OE1-OH 2.8Å; L37-Y87 HydrophobicContact CD2-CD2 4.31Å; L37-Y87 HydrophobicContact CD2-CE2 4.14Å; L85-Y87 HydrophobicContact CB-CE2 3.82Å; L85-Y87 VanDerWaalsContact CD1-OH 3.25Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.43Å
88	C	96.5	Very high	81.6	Confident	44 Å²	44	97.7 Å²	97.7	30%	0.297	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	140.2	163.7	52.2	0	0	0	0	108.9	C14 S27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.25Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 2.99Å; S27-C88 CarbonylContact O-C 3.56Å; S27-C88 WeakPolarHBondContact O-CA 3.26Å; W28-C88 HydrophobicContact CE3-CB 4.42Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ3-CB 4.28Å; L71-C88 HydrophobicContact CD2-CB 3.98Å
89	T	95.7	Very high	81.1	Confident	56 Å²	56	102.2 Å²	102.2	34%	0.344	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148	179.3	63	0	0	0	0	109.9	M26 S27 V29	M26-T89 WeakPolarHBondContact CA-O 3.47Å; M26-T89 WeakPolarHBondContact CE-O 3.35Å; S27-T89 PolarHBondContact N-O 3.44Å; S27-T89 PolarHBondContact O-N 3.07Å; V29-T89 HydrophobicContact CG2-CG2 4.36Å
90	R	94.2	Very high	80.5	Confident	98 Å²	98	100.6 Å²	100.6	37%	0.37	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.8	171.3	-174.1	-174.3	80.7	-160.7	3.4	108.1	F19 Y24 M26 N92	F19-R90 HydrophobicContact CD2-CG 4.43Å; F19-R90 HydrophobicContact CE2-CB 4.42Å; F19-R90 VanDerWaalsContact CE2-CD 3.45Å; F19-R90 HydrophobicContact CE2-CG 3.92Å; F19-R90 HydrophobicContact CZ-CB 4.24Å; F19-R90 HydrophobicContact CZ-CG 4.23Å; Y24-R90 HydrophobicContact CD1-CG 3.81Å; Y24-R90 HydrophobicContact CD2-CG 4.37Å; Y24-R90 HydrophobicContact CG-CG 3.67Å; M26-R90 HydrophobicContact CE-CB 4.26Å; M26-R90 HydrophobicContact SD-CB 4.08Å; M26-R90 HydrophobicContact SD-CG 4.05Å; R90-N92 PolarHBondContact NE-OD1 2.94Å; R90-N92 PolarHBondContact NH2-OD1 3.2Å
91	L	84.6	Confident	79.9	Confident	67 Å²	67	101.1 Å²	101.1	35%	0.351	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.1	172	-154.8	91.7	0	0	0	109	W25	W25-L91 HydrophobicContact CB-CB 3.93Å; W25-L91 HydrophobicContact CB-CD2 4.47Å; W25-L91 PolarHBondContact O-N 3.49Å
92	N	68.8	Low	79.3	Confident	82 Å²	82	99.4 Å²	99.4	44%	0.439	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-87.7	123.3	168.1	-61.5	-44.4	0	0	0	107.4	R90 Y94	R90-N92 PolarHBondContact NE-OD1 2.94Å; R90-N92 PolarHBondContact NH2-OD1 3.2Å; N92-Y94 PolarHBondContact O-N 2.6Å
93	Y	55.5	Low	78.4	Confident	165 Å²	165	105.6 Å²	105.6	65%	0.647	51%	0.509	S	S	*	.	S	Bend	trans	-62.1	-2.6	176.4	-115.4	-105.6	0	0	0	114.3	W25	W25-Y93 AromaticContact CD1-CD2 3.9Å; W25-Y93 AromaticContact CD1-CE2 3.37Å; W25-Y93 HydrophobicContact CD2-CE2 4.27Å; W25-Y93 AromaticContact CE2-CE2 3.79Å; W25-Y93 HydrophobicContact CG-CE2 4.01Å; W25-Y93 HydrophobicContact CZ2-CE2 4.5Å; W25-Y93 AromaticContact NE1-CE2 3.23Å; W25-Y93 AromaticContact NE1-CZ 3.87Å
94	Y	47.4	Very low	77.3	Confident	220 Å²	220	106.5 Å²	106.5	86%	0.863	51%	0.505	S	S	*	.			trans	-114.8	96.1	176.9	-59.4	-75.3	0	0	0	108.9	N92	N92-Y94 PolarHBondContact O-N 2.6Å
95	G	41.4	Very low	75.9	Confident	71 Å²	71	113.5 Å²	113.5	73%	0.732	53%	0.531	S	S	*	.			trans	177	74.9	176.7	0	0	0	0	0	112.9
96	Y	36.3	Very low	74	Confident	318 Å²	318	114.3 Å²	114.3	100%	1.247	53%	0.529	S	S	*	.			trans	-69.8	0	137.7	-71.2	-81.5	0	0	0	108.5

Retrieved 96 of 96 residues in 21.5 ms (Link to these results)

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