X5J4W8_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4W8, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 97 aa.

						>X5J4W8_MOUSE|X5J4W8|Ighv4-2
GGLVQPGGSLKLSCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCASPGTWFAY
					

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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	60.1	Low	83.5	Confident	124 Å²	124	90.5 Å²	90.5	100%	1.278	60%	0.601	S	S	*	*				0	153.7	0	0	0	0	0	0	109.2
2	G	72.3	Confident	84.5	Confident	46 Å²	46	84.8 Å²	84.8	47%	0.474	56%	0.561	S	S	.	*			trans	-120.4	144.1	-178.6	0	0	0	0	0	111.8
3	L	77.1	Confident	85.5	Confident	186 Å²	186	85 Å²	85	97%	0.974	57%	0.565	S	S	*	*			trans	-79.2	129.3	168.3	-71.3	162.4	0	0	0	108.4
4	V	84.2	Confident	86.3	Confident	58 Å²	58	80.4 Å²	80.4	35%	0.352	53%	0.534	S	S	.	.			trans	-132.7	140.6	178.7	179.7	0	0	0	0	108.5	L10	V4-L10 HydrophobicContact CG2-CB 3.97Å; V4-L10 HydrophobicContact CG2-CD1 3.79Å; V4-L10 HydrophobicContact CG2-CD2 4.21Å; V4-L10 HydrophobicContact CG2-CG 4.19Å
5	Q	84.2	Confident	86.9	Confident	163 Å²	163	80.4 Å²	80.4	76%	0.762	54%	0.543	S	S	*	.			trans	-67.4	149	175.6	-68.4	-166.8	-10.6	0	0	111.1	G7 G8	Q5-G7 PolarHBondContact O-N 3.46Å; Q5-G8 PolarHBondContact O-N 3.32Å
6	P	85.5	Confident	87.3	Confident	108 Å²	108	76.5 Å²	76.5	70%	0.701	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	137.9	173.2	-26.3	34.7	0	0	0	112.1	G8 V78	P6-G8 VanDerWaalsContact C-N 3.27Å; P6-G8 PolarHBondContact O-N 3.26Å; P6-V78 CarbonylContact C-O 3.56Å; P6-V78 VanDerWaalsContact CA-O 3.31Å; P6-V78 WeakPolarHBondContact CA-O 3.49Å
7	G	86.1	Confident	87.6	Confident	56 Å²	56	78.2 Å²	78.2	58%	0.577	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-13.2	-175.1	0	0	0	0	0	114.7	Q5 V78	Q5-G7 PolarHBondContact O-N 3.46Å; G7-V78 PolarHBondContact N-O 3.19Å
8	G	89.9	Confident	87.8	Confident	24 Å²	24	78.7 Å²	78.7	25%	0.247	55%	0.552	C	S	.	*			trans	-72.7	179.1	174.4	0	0	0	0	0	113.9	Q5 P6 K77 V78	Q5-G8 PolarHBondContact O-N 3.32Å; P6-G8 VanDerWaalsContact C-N 3.27Å; P6-G8 PolarHBondContact O-N 3.26Å; G8-K77 PolarHBondContact O-N 3.03Å; G8-K77 VanDerWaalsContact O-N 3.13Å; G8-V78 WeakPolarHBondContact O-CG2 3.25Å; G8-V78 PolarHBondContact O-N 3.49Å
9	S	91.6	Very high	87.9	Confident	80 Å²	80	78.3 Å²	78.3	56%	0.559	54%	0.539	S	S	*	.			trans	-120.1	145.2	174.5	-62	0	0	0	0	109.9	M75	S9-M75 CarbonylContact C-O 3.59Å; S9-M75 VanDerWaalsContact CA-O 3.24Å; S9-M75 WeakPolarHBondContact CA-O 3.23Å; S9-M75 WeakPolarHBondContact CB-O 3.27Å
10	L	92.4	Very high	88.1	Confident	38 Å²	38	78.4 Å²	78.4	20%	0.199	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141	179.2	-178.4	58.1	0	0	0	109.4	V4 L12 M75 V78	V4-L10 HydrophobicContact CG2-CB 3.97Å; V4-L10 HydrophobicContact CG2-CD1 3.79Å; V4-L10 HydrophobicContact CG2-CD2 4.21Å; V4-L10 HydrophobicContact CG2-CG 4.19Å; L10-L12 HydrophobicContact CD1-CD2 4.45Å; L10-L12 HydrophobicContact CD2-CD2 3.72Å; L10-L12 HydrophobicContact CD2-CG 4.4Å; L10-L12 HydrophobicContact CG-CD2 3.97Å; L10-L12 HydrophobicContact CG-CG 4.48Å; L10-M75 HydrophobicContact CD2-SD 4.49Å; L10-M75 PolarHBondContact N-O 2.98Å; L10-M75 PolarHBondContact O-N 2.86Å; L10-V78 HydrophobicContact CB-CG2 4.42Å
11	K	95	Very high	88.3	Confident	113 Å²	113	74.7 Å²	74.7	49%	0.491	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.8	168.7	-173.5	173.1	-179.5	173.6	0	109	Y72 L73	K11-Y72 HydrophobicContact CD-CD1 4.48Å; K11-Y72 VanDerWaalsContact CE-CD1 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.49Å; K11-L73 CarbonylContact C-O 3.53Å; K11-L73 WeakPolarHBondContact CA-O 3.2Å
12	L	95.9	Very high	89.9	Confident	22 Å²	22	70.8 Å²	70.8	12%	0.115	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	148.3	171	-57.4	-177.3	0	0	0	109.7	L10 W28 Y72 L73 M75 Y86	L10-L12 HydrophobicContact CD1-CD2 4.45Å; L10-L12 HydrophobicContact CD2-CD2 3.72Å; L10-L12 HydrophobicContact CD2-CG 4.4Å; L10-L12 HydrophobicContact CG-CD2 3.97Å; L10-L12 HydrophobicContact CG-CG 4.48Å; L12-W28 HydrophobicContact CB-CH2 3.91Å; L12-W28 HydrophobicContact CB-CZ2 4.41Å; L12-W28 HydrophobicContact CB-CZ3 4.48Å; L12-W28 HydrophobicContact CD1-CZ3 4.35Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.36Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 PolarHBondContact N-O 3.36Å; L12-L73 PolarHBondContact O-N 2.92Å; L12-M75 HydrophobicContact CD1-CE 3.47Å; L12-M75 VanDerWaalsContact CD1-CE 3.47Å; L12-M75 HydrophobicContact CG-CE 4.03Å; L12-Y86 HydrophobicContact CD1-CD1 4.16Å; L12-Y86 HydrophobicContact CD1-CD2 3.99Å; L12-Y86 HydrophobicContact CD1-CG 3.63Å
13	S	97.2	Very high	90.9	Very high	87 Å²	87	77.5 Å²	77.5	61%	0.608	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.5	171.8	55.2	0	0	0	0	110	L71	S13-L71 CarbonylContact C-O 3.58Å; S13-L71 WeakPolarHBondContact CA-O 3.37Å
14	C	96.2	Very high	91.6	Very high	21 Å²	21	74 Å²	74	14%	0.142	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	112.2	172.1	163.9	0	0	0	0	108.9	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.94Å; C14-W28 HydrophobicContact CB-CZ2 4.12Å; C14-T70 CarbonylContact O-C 3.56Å; C14-T70 VanDerWaalsContact O-CA 3.31Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; C14-L71 HydrophobicContact CB-CB 4.44Å; C14-L71 PolarHBondContact N-O 2.76Å; C14-L71 PolarHBondContact O-N 2.81Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.02Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.77Å
15	A	96	Very high	92.1	Very high	80 Å²	80	75.3 Å²	75.3	66%	0.661	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	125.3	174.1	0	0	0	0	0	109.6
16	A	92.9	Very high	92.6	Very high	18 Å²	18	67.8 Å²	67.8	15%	0.149	41%	0.411	C	S	.	.			trans	-90.7	147.8	175.9	0	0	0	0	0	110.9	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.73Å; A16-F19 HydrophobicContact CB-CZ 3.66Å; A16-F21 HydrophobicContact CB-CB 4.33Å; A16-F21 HydrophobicContact CB-CD2 3.48Å; A16-F21 VanDerWaalsContact CB-CD2 3.48Å; A16-F21 HydrophobicContact CB-CE2 4.16Å; A16-F21 HydrophobicContact CB-CG 4.26Å; A16-N69 PolarHBondContact N-O 3.16Å
17	S	92.9	Very high	93.1	Very high	105 Å²	105	62.9 Å²	62.9	73%	0.734	38%	0.379	S	S	*	.			trans	-146.9	158.6	174.3	61.5	0	0	0	0	109.9	F19	S17-F19 WeakPolarHBondContact O-CD1 3.22Å; S17-F19 PolarHBondContact O-N 3.48Å
18	G	90.9	Very high	93.7	Very high	88 Å²	88	60.5 Å²	60.5	91%	0.907	35%	0.352	S	S	*	.	S	Bend	trans	83.2	2.6	177	0	0	0	0	0	116
19	F	89.3	Confident	93.9	Very high	71 Å²	71	59.5 Å²	59.5	31%	0.311	34%	0.342	S	S	.	.	S	Bend	trans	-153.9	165.6	173.7	67.6	-81.1	0	0	0	111.5	A16 S17 F21 Y24 M26	A16-F19 HydrophobicContact CB-CE1 3.73Å; A16-F19 HydrophobicContact CB-CZ 3.66Å; S17-F19 WeakPolarHBondContact O-CD1 3.22Å; S17-F19 PolarHBondContact O-N 3.48Å; F19-F21 HydrophobicContact CE2-CB 4.26Å; F19-F21 HydrophobicContact CE2-CD2 4.36Å; F19-F21 HydrophobicContact CZ-CD2 4.28Å; F19-F21 PolarHBondContact O-N 3.09Å; F19-Y24 AromaticContact CD2-CD2 3.63Å; F19-Y24 HydrophobicContact CD2-CD2 3.63Å; F19-Y24 HydrophobicContact CD2-CE2 4.02Å; F19-Y24 HydrophobicContact CD2-CG 4.47Å; F19-Y24 HydrophobicContact CE2-CD2 4.07Å; F19-M26 HydrophobicContact CE2-SD 4Å; F19-M26 HydrophobicContact CZ-CE 4.09Å; F19-M26 HydrophobicContact CZ-SD 4Å
20	D	91.7	Very high	94.1	Very high	79 Å²	79	56.8 Å²	56.8	42%	0.422	32%	0.319	S	S	.	.			trans	-76.8	87.1	174.3	-175.5	-6.3	0	0	0	110.6	S22 R23 Y24	D20-S22 PolarHBondContact O-N 3.22Å; D20-S22 VanDerWaalsContact O-N 3.08Å; D20-S22 WeakPolarHBondContact OD1-CB 3.45Å; D20-S22 PolarHBondContact OD1-N 2.67Å; D20-S22 PolarHBondContact OD1-OG 3.47Å; D20-R23 HydrophobicContact CB-CG 4.36Å; D20-R23 PolarHBondContact O-N 3.24Å; D20-R23 WeakPolarHBondContact OD2-CD 3.13Å; D20-R23 WeakPolarHBondContact OD2-CG 3.46Å; D20-Y24 WeakPolarHBondContact O-CD2 3.31Å
21	F	92.8	Very high	94.3	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-49	-37	-179.8	177.9	-96.6	0	0	0	112.9	A16 F19 R23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.33Å; A16-F21 HydrophobicContact CB-CD2 3.48Å; A16-F21 VanDerWaalsContact CB-CD2 3.48Å; A16-F21 HydrophobicContact CB-CE2 4.16Å; A16-F21 HydrophobicContact CB-CG 4.26Å; F19-F21 HydrophobicContact CE2-CB 4.26Å; F19-F21 HydrophobicContact CE2-CD2 4.36Å; F19-F21 HydrophobicContact CZ-CD2 4.28Å; F19-F21 PolarHBondContact O-N 3.09Å; F21-R23 PolarHBondContact O-N 2.79Å; F21-R23 VanDerWaalsContact O-N 3.14Å; F21-Y24 PolarHBondContact O-N 2.74Å; F21-M26 HydrophobicContact CD2-CE 4.2Å; F21-M26 HydrophobicContact CD2-CG 4.01Å; F21-M26 HydrophobicContact CD2-SD 3.9Å; F21-M26 HydrophobicContact CE2-CB 4.48Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; F21-M26 HydrophobicContact CE2-CG 3.51Å; F21-M26 HydrophobicContact CE2-SD 3.89Å; F21-M26 HydrophobicContact CZ-CG 3.98Å; F21-R64 VanDerWaalsContact CD1-NH2 3.33Å; F21-R64 HydrophobicContact CE1-CB 4.13Å; F21-R64 VanDerWaalsContact CE1-NH2 3.31Å; F21-R64 HydrophobicContact CZ-CB 4.1Å; F21-R64 PolarHBondContact O-NH2 2.78Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.49Å; F21-N69 HydrophobicContact CB-CB 3.96Å; F21-N69 WeakPolarHBondContact CB-OD1 3.4Å; F21-N69 HydrophobicContact CD1-CB 4.47Å; F21-N69 HydrophobicContact CG-CB 4.2Å; F21-L71 HydrophobicContact CE2-CB 4.21Å; F21-L71 HydrophobicContact CZ-CB 4.13Å
22	S	93.4	Very high	94.2	Very high	43 Å²	43	53.7 Å²	53.7	30%	0.301	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-64.5	-19.8	-175.7	78.1	0	0	0	0	113.6	D20 P45	D20-S22 PolarHBondContact O-N 3.22Å; D20-S22 VanDerWaalsContact O-N 3.08Å; D20-S22 WeakPolarHBondContact OD1-CB 3.45Å; D20-S22 PolarHBondContact OD1-N 2.67Å; D20-S22 PolarHBondContact OD1-OG 3.47Å; S22-P45 VanDerWaalsContact O-CB 3.26Å; S22-P45 WeakPolarHBondContact O-CB 3.5Å
23	R	92.7	Very high	94.1	Very high	186 Å²	186	57.9 Å²	57.9	70%	0.702	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-96.2	-11.3	-175.4	-66.2	-172.5	72.1	176	3.8	114.8	D20 F21	D20-R23 HydrophobicContact CB-CG 4.36Å; D20-R23 PolarHBondContact O-N 3.24Å; D20-R23 WeakPolarHBondContact OD2-CD 3.13Å; D20-R23 WeakPolarHBondContact OD2-CG 3.46Å; F21-R23 PolarHBondContact O-N 2.79Å; F21-R23 VanDerWaalsContact O-N 3.14Å
24	Y	92.4	Very high	94	Very high	113 Å²	113	58.2 Å²	58.2	44%	0.443	35%	0.354	S	S	.	.	S	Bend	trans	-109.8	149	-175.6	-62.7	-85.2	0	0	0	111.7	F19 D20 F21 R64	F19-Y24 AromaticContact CD2-CD2 3.63Å; F19-Y24 HydrophobicContact CD2-CD2 3.63Å; F19-Y24 HydrophobicContact CD2-CE2 4.02Å; F19-Y24 HydrophobicContact CD2-CG 4.47Å; F19-Y24 HydrophobicContact CE2-CD2 4.07Å; D20-Y24 WeakPolarHBondContact O-CD2 3.31Å; F21-Y24 PolarHBondContact O-N 2.74Å; Y24-R64 PolarHBondContact O-NH1 2.77Å
25	W	94.8	Very high	93.8	Very high	86 Å²	86	64.1 Å²	64.1	33%	0.326	38%	0.377	S	S	.	.			trans	-61.1	154.4	158.4	-72	64.7	0	0	0	108.9	E42 I43 N44 T49 P91	W25-E42 HydrophobicContact CE3-CB 4.28Å; W25-E42 HydrophobicContact CE3-CG 3.5Å; W25-E42 HydrophobicContact CZ3-CG 3.69Å; W25-I43 VanDerWaalsContact CA-O 3.31Å; W25-I43 WeakPolarHBondContact CA-O 3.43Å; W25-N44 HydrophobicContact CD2-CB 3.69Å; W25-N44 VanDerWaalsContact CE2-CB 3.4Å; W25-N44 HydrophobicContact CE3-CB 3.95Å; W25-N44 HydrophobicContact CG-CB 4.37Å; W25-N44 HydrophobicContact CH2-CB 3.76Å; W25-N44 HydrophobicContact CZ2-CB 3.46Å; W25-N44 VanDerWaalsContact CZ2-CB 3.46Å; W25-N44 HydrophobicContact CZ3-CB 3.99Å; W25-T49 HydrophobicContact CH2-CG2 4Å; W25-P91 HydrophobicContact CB-CG 3.73Å; W25-P91 WeakPolarHBondContact O-CD 3.26Å; W25-P91 WeakPolarHBondContact O-CG 3.43Å
26	M	95.6	Very high	93.7	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.02	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.9	179.9	-64.3	-59.6	-52.8	0	0	109.4	F19 F21 E42 I43 L71	F19-M26 HydrophobicContact CE2-SD 4Å; F19-M26 HydrophobicContact CZ-CE 4.09Å; F19-M26 HydrophobicContact CZ-SD 4Å; F21-M26 HydrophobicContact CD2-CE 4.2Å; F21-M26 HydrophobicContact CD2-CG 4.01Å; F21-M26 HydrophobicContact CD2-SD 3.9Å; F21-M26 HydrophobicContact CE2-CB 4.48Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; F21-M26 HydrophobicContact CE2-CG 3.51Å; F21-M26 HydrophobicContact CE2-SD 3.89Å; F21-M26 HydrophobicContact CZ-CG 3.98Å; M26-E42 CarbonylContact O-C 3.58Å; M26-E42 WeakPolarHBondContact O-CA 3.4Å; M26-E42 WeakPolarHBondContact O-CB 3.48Å; M26-I43 HydrophobicContact CB-CG2 4.31Å; M26-I43 PolarHBondContact N-O 2.62Å; M26-I43 PolarHBondContact O-N 2.96Å; M26-L71 HydrophobicContact CB-CD1 3.76Å; M26-L71 HydrophobicContact CB-CD2 3.92Å; M26-L71 HydrophobicContact CB-CG 4.37Å
27	S	96.1	Very high	93.8	Very high	5 Å²	5	66.7 Å²	66.7	4%	0.035	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	151.7	-173.6	-44.8	0	0	0	0	111.8	G41 C88 A89	S27-G41 CarbonylContact C-O 3.57Å; S27-G41 VanDerWaalsContact CA-O 3.29Å; S27-G41 WeakPolarHBondContact CA-O 3Å; S27-C88 CarbonylContact O-C 3.59Å; S27-C88 VanDerWaalsContact O-CA 3.31Å; S27-C88 WeakPolarHBondContact O-CA 3.46Å; S27-A89 PolarHBondContact N-O 3.07Å; S27-A89 PolarHBondContact O-N 2.78Å
28	W	97	Very high	93.9	Very high	6 Å²	6	64.5 Å²	64.5	2%	0.023	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.3	163.6	-80.3	101.6	0	0	0	110.3	L12 C14 I40 G41 L71 Y72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.91Å; L12-W28 HydrophobicContact CB-CZ2 4.41Å; L12-W28 HydrophobicContact CB-CZ3 4.48Å; L12-W28 HydrophobicContact CD1-CZ3 4.35Å; C14-W28 HydrophobicContact CB-CH2 3.94Å; C14-W28 HydrophobicContact CB-CZ2 4.12Å; W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.23Å; W28-I40 WeakPolarHBondContact O-CB 3.31Å; W28-I40 PolarHBondContact O-N 2.9Å; W28-G41 PolarHBondContact N-O 2.84Å; W28-L71 HydrophobicContact CD2-CD2 4.26Å; W28-L71 HydrophobicContact CG-CD2 4.19Å; W28-L71 HydrophobicContact CZ2-CD2 4.28Å; W28-L71 HydrophobicContact CZ2-CG 4.33Å; W28-L71 VanDerWaalsContact NE1-CG 3.31Å; W28-Y72 PolarHBondContact NE1-O 2.91Å; W28-Y72 VanDerWaalsContact NE1-O 3.14Å; W28-L73 HydrophobicContact CB-CD1 4.38Å; W28-L73 HydrophobicContact CB-CD2 4.26Å; W28-L73 HydrophobicContact CD2-CB 3.83Å; W28-L73 HydrophobicContact CD2-CD2 3.89Å; W28-L73 HydrophobicContact CD2-CG 4.33Å; W28-L73 HydrophobicContact CE3-CB 4.4Å; W28-L73 HydrophobicContact CE3-CD2 4.04Å; W28-L73 HydrophobicContact CG-CB 4.16Å; W28-L73 HydrophobicContact CG-CD1 4.03Å; W28-L73 HydrophobicContact CG-CD2 3.99Å; W28-L73 HydrophobicContact CG-CG 4.32Å; W28-L73 HydrophobicContact CH2-CB 4.43Å; W28-L73 HydrophobicContact CZ2-CB 3.84Å; W28-Y87 CarbonylContact C-O 3.43Å; W28-Y87 WeakPolarHBondContact CA-O 3.28Å; W28-Y87 VanDerWaalsContact CE3-O 3.28Å; W28-C88 HydrophobicContact CE3-CB 4.5Å; W28-C88 HydrophobicContact CH2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.38Å
29	V	96	Very high	94.1	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.7	177.5	-178.4	0	0	0	0	107.8	L37 E38 Y86 Y87 W94	V29-L37 HydrophobicContact CG1-CB 3.86Å; V29-L37 HydrophobicContact CG1-CD2 3.8Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-E38 WeakPolarHBondContact CG1-O 3.48Å; V29-Y86 CarbonylContact O-C 3.5Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; V29-Y87 PolarHBondContact N-O 2.62Å; V29-Y87 PolarHBondContact O-N 2.98Å; V29-W94 HydrophobicContact CB-CZ2 4.48Å; V29-W94 HydrophobicContact CG1-CH2 4.37Å; V29-W94 HydrophobicContact CG1-CZ2 4.45Å; V29-W94 HydrophobicContact CG2-CH2 4.27Å; V29-W94 HydrophobicContact CG2-CZ2 3.66Å
30	R	95.1	Very high	94.4	Very high	24 Å²	24	61 Å²	61	9%	0.091	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156.3	172	65.8	179.2	-169.1	177.7	2.1	112.4	E38 I40 L56 D82 A84 L85 Y86	R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE2 2.78Å; R30-E38 PolarHBondContact N-O 2.63Å; R30-E38 IonicContact NE-OE2 3.45Å; R30-E38 PolarHBondContact NE-OE2 2.01Å; R30-E38 IonicContact NH2-OE1 3.2Å; R30-E38 PolarHBondContact NH2-OE1 3.4Å; R30-E38 IonicContact NH2-OE2 2.67Å; R30-E38 PolarHBondContact NH2-OE2 3.02Å; R30-E38 PolarHBondContact O-N 3.3Å; R30-I40 HydrophobicContact CB-CD1 4.01Å; R30-I40 HydrophobicContact CB-CG1 4.41Å; R30-I40 HydrophobicContact CG-CD1 4.05Å; R30-I40 HydrophobicContact CG-CG1 4.04Å; R30-L56 VanDerWaalsContact NH2-CD2 3.32Å; R30-D82 IonicContact NH1-OD1 3.35Å; R30-A84 HydrophobicContact CB-CB 3.96Å; R30-L85 CarbonylContact C-O 3.51Å; R30-L85 WeakPolarHBondContact CA-O 3.21Å; R30-L85 WeakPolarHBondContact CB-O 3.26Å; R30-Y86 HydrophobicContact CB-CD1 3.76Å; R30-Y86 HydrophobicContact CB-CE1 3.72Å; R30-Y86 HydrophobicContact CB-CG 4.32Å; R30-Y86 HydrophobicContact CG-CE1 4.4Å
31	Q	95.8	Very high	94.6	Very high	68 Å²	68	57.2 Å²	57.2	32%	0.318	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	106.2	174.1	-169.1	178.4	23.5	0	0	109.3	K35 L37 A84 L85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.41Å; Q31-K35 PolarHBondContact NE2-O 3.15Å; Q31-L37 HydrophobicContact CB-CD2 4.07Å; Q31-L37 HydrophobicContact CG-CD2 4.48Å; Q31-A84 WeakPolarHBondContact O-CA 3.4Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; Q31-L85 PolarHBondContact N-O 2.79Å; Q31-L85 PolarHBondContact O-N 3.08Å; Q31-Y87 HydrophobicContact CB-CE2 3.91Å; Q31-Y87 PolarHBondContact OE1-OH 3.2Å
32	A	94.3	Very high	94.8	Very high	18 Å²	18	59.4 Å²	59.4	15%	0.149	32%	0.315	C	S	.	.			trans	-74.5	153.5	172.8	0	0	0	0	0	110.3	G34 K35 A84	A32-G34 PolarHBondContact O-N 3.35Å; A32-K35 HydrophobicContact CB-CB 4.21Å; A32-K35 HydrophobicContact CB-CD 4.06Å; A32-K35 HydrophobicContact CB-CG 4.18Å; A32-K35 PolarHBondContact O-N 2.82Å; A32-A84 HydrophobicContact CB-CB 4.38Å
33	P	93.9	Very high	94.9	Very high	110 Å²	110	57.5 Å²	57.5	71%	0.714	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	127.7	175.9	-25.8	34.6	0	0	0	111.8	K35 T83	P33-K35 PolarHBondContact O-N 2.95Å; P33-T83 WeakPolarHBondContact CD-O 3.46Å
34	G	94.3	Very high	95.1	Very high	93 Å²	93	49.3 Å²	49.3	96%	0.959	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	7.5	-179	0	0	0	0	0	115.5	A32	A32-G34 PolarHBondContact O-N 3.35Å
35	K	92.8	Very high	95.2	Very high	145 Å²	145	45.6 Å²	45.6	63%	0.63	26%	0.262	S	S	*	.			trans	-114.1	160.6	175.9	-60.1	-164	-178	-179.9	0	112.1	Q31 A32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.41Å; Q31-K35 PolarHBondContact NE2-O 3.15Å; A32-K35 HydrophobicContact CB-CB 4.21Å; A32-K35 HydrophobicContact CB-CD 4.06Å; A32-K35 HydrophobicContact CB-CG 4.18Å; A32-K35 PolarHBondContact O-N 2.82Å; P33-K35 PolarHBondContact O-N 2.95Å
36	G	93.5	Very high	95.3	Very high	55 Å²	55	46.7 Å²	46.7	57%	0.567	27%	0.274	S	S	*	.			trans	-71	-179.9	169.8	0	0	0	0	0	112.9
37	L	94.3	Very high	95.3	Very high	98 Å²	98	49 Å²	49	51%	0.513	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.8	173.4	-68	166	0	0	0	109.8	V29 Q31 Y87 W94	V29-L37 HydrophobicContact CG1-CB 3.86Å; V29-L37 HydrophobicContact CG1-CD2 3.8Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; Q31-L37 HydrophobicContact CB-CD2 4.07Å; Q31-L37 HydrophobicContact CG-CD2 4.48Å; L37-Y87 HydrophobicContact CD2-CD2 4.12Å; L37-Y87 HydrophobicContact CD2-CE2 4.02Å; L37-W94 HydrophobicContact CD1-CH2 3.99Å
38	E	94.3	Very high	95.3	Very high	59 Å²	59	52.8 Å²	52.8	28%	0.276	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.5	176.5	-175.7	-176.9	-168.7	0	0	108.6	V29 R30 L56	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-E38 WeakPolarHBondContact CG1-O 3.48Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE2 2.78Å; R30-E38 PolarHBondContact N-O 2.63Å; R30-E38 IonicContact NE-OE2 3.45Å; R30-E38 PolarHBondContact NE-OE2 2.01Å; R30-E38 IonicContact NH2-OE1 3.2Å; R30-E38 PolarHBondContact NH2-OE1 3.4Å; R30-E38 IonicContact NH2-OE2 2.67Å; R30-E38 PolarHBondContact NH2-OE2 3.02Å; R30-E38 PolarHBondContact O-N 3.3Å; E38-L56 HydrophobicContact CG-CD1 4.39Å
39	W	95.4	Very high	95.3	Very high	85 Å²	85	55.3 Å²	55.3	32%	0.322	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132	174.9	-177.4	85.6	0	0	0	110.1	G41 E42 N51 T53	W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 VanDerWaalsContact CZ2-CA 3.46Å; W39-E42 HydrophobicContact CH2-CG 4.4Å; W39-E42 HydrophobicContact CZ2-CB 3.87Å; W39-E42 HydrophobicContact CZ2-CG 3.63Å; W39-N51 HydrophobicContact CH2-CB 3.77Å; W39-N51 HydrophobicContact CZ2-CB 4.42Å; W39-T53 VanDerWaalsContact CE3-OG1 3.3Å; W39-T53 PolarHBondContact O-OG1 3.43Å
40	I	95.8	Very high	95.3	Very high	0 Å²	0	58 Å²	58	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-46.8	179.4	-60.3	-179.1	0	0	0	110.2	W28 R30 Y52 T53 L56 F60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.23Å; W28-I40 WeakPolarHBondContact O-CB 3.31Å; W28-I40 PolarHBondContact O-N 2.9Å; R30-I40 HydrophobicContact CB-CD1 4.01Å; R30-I40 HydrophobicContact CB-CG1 4.41Å; R30-I40 HydrophobicContact CG-CD1 4.05Å; R30-I40 HydrophobicContact CG-CG1 4.04Å; I40-Y52 WeakPolarHBondContact O-CA 3.39Å; I40-T53 PolarHBondContact O-N 3.18Å; I40-L56 HydrophobicContact CB-CD1 4.42Å; I40-L56 HydrophobicContact CG1-CD1 4.15Å; I40-L56 HydrophobicContact CG2-CD1 4.44Å; I40-F60 HydrophobicContact CG2-CB 3.98Å; I40-F60 HydrophobicContact CG2-CD2 3.99Å; I40-F60 HydrophobicContact CG2-CG 3.96Å; I40-L73 HydrophobicContact CD1-CD2 3.78Å; I40-L73 HydrophobicContact CG2-CD1 4.4Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.63Å
41	G	96.1	Very high	95.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.9	175.7	-172.9	0	0	0	0	0	112.2	S27 W28 W39 N51	S27-G41 CarbonylContact C-O 3.57Å; S27-G41 VanDerWaalsContact CA-O 3.29Å; S27-G41 WeakPolarHBondContact CA-O 3Å; W28-G41 PolarHBondContact N-O 2.84Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 VanDerWaalsContact CZ2-CA 3.46Å; G41-N51 CarbonylContact C-O 3.58Å; G41-N51 WeakPolarHBondContact CA-O 3.19Å
42	E	96.4	Very high	95.4	Very high	47 Å²	47	59 Å²	59	22%	0.22	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155.6	177.6	69.8	-174.7	162.2	0	0	111.9	W25 M26 W39 I50 N51	W25-E42 HydrophobicContact CE3-CB 4.28Å; W25-E42 HydrophobicContact CE3-CG 3.5Å; W25-E42 HydrophobicContact CZ3-CG 3.69Å; M26-E42 CarbonylContact O-C 3.58Å; M26-E42 WeakPolarHBondContact O-CA 3.4Å; M26-E42 WeakPolarHBondContact O-CB 3.48Å; W39-E42 HydrophobicContact CH2-CG 4.4Å; W39-E42 HydrophobicContact CZ2-CB 3.87Å; W39-E42 HydrophobicContact CZ2-CG 3.63Å; E42-I50 CarbonylContact O-C 3.59Å; E42-I50 VanDerWaalsContact O-CA 3.29Å; E42-I50 WeakPolarHBondContact O-CA 3.29Å; E42-I50 VanDerWaalsContact O-CG2 3.25Å; E42-I50 WeakPolarHBondContact O-CG2 3.41Å; E42-N51 HydrophobicContact CG-CB 4.1Å; E42-N51 PolarHBondContact N-O 3.44Å; E42-N51 PolarHBondContact O-N 3.06Å; E42-N51 PolarHBondContact OE1-ND2 2.92Å
43	I	97.2	Very high	95.4	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.2	179.1	-175	161.2	0	0	0	110.1	W25 M26 I50 I62 R64 L71	W25-I43 VanDerWaalsContact CA-O 3.31Å; W25-I43 WeakPolarHBondContact CA-O 3.43Å; M26-I43 HydrophobicContact CB-CG2 4.31Å; M26-I43 PolarHBondContact N-O 2.62Å; M26-I43 PolarHBondContact O-N 2.96Å; I43-I50 HydrophobicContact CB-CG1 4.38Å; I43-I50 HydrophobicContact CB-CG2 4.49Å; I43-I50 HydrophobicContact CD1-CD1 3.9Å; I43-I50 HydrophobicContact CD1-CG1 3.98Å; I43-I50 HydrophobicContact CG1-CD1 4.46Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I43-I62 HydrophobicContact CB-CG2 3.84Å; I43-I62 HydrophobicContact CD1-CG2 4.46Å; I43-I62 HydrophobicContact CG2-CG2 3.63Å; I43-R64 HydrophobicContact CD1-CG 3.97Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; I43-R64 HydrophobicContact CG2-CB 4.45Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å
44	N	95.6	Very high	95.3	Very high	14 Å²	14	60 Å²	60	8%	0.075	36%	0.357	C	S	.	.			trans	-77.6	166.8	179.4	76.5	-25.7	0	0	0	112.2	W25 D46 S47 S48 T49 R64	W25-N44 HydrophobicContact CD2-CB 3.69Å; W25-N44 VanDerWaalsContact CE2-CB 3.4Å; W25-N44 HydrophobicContact CE3-CB 3.95Å; W25-N44 HydrophobicContact CG-CB 4.37Å; W25-N44 HydrophobicContact CH2-CB 3.76Å; W25-N44 HydrophobicContact CZ2-CB 3.46Å; W25-N44 VanDerWaalsContact CZ2-CB 3.46Å; W25-N44 HydrophobicContact CZ3-CB 3.99Å; N44-D46 VanDerWaalsContact C-N 3.34Å; N44-D46 PolarHBondContact ND2-OD1 3.26Å; N44-D46 PolarHBondContact O-N 3.13Å; N44-D46 PolarHBondContact OD1-OD1 2.93Å; N44-D46 VanDerWaalsContact OD1-OD1 3.09Å; N44-S47 PolarHBondContact O-N 2.96Å; N44-S47 VanDerWaalsContact OD1-C 3.32Å; N44-S47 VanDerWaalsContact OD1-CA 3.26Å; N44-S47 WeakPolarHBondContact OD1-CA 3.38Å; N44-S47 PolarHBondContact OD1-N 2.92Å; N44-S47 VanDerWaalsContact OD1-N 3.08Å; N44-S48 PolarHBondContact ND2-OG 2.65Å; N44-S48 PolarHBondContact OD1-N 2.85Å; N44-T49 PolarHBondContact N-O 3.42Å; N44-T49 VanDerWaalsContact N-O 3.12Å; N44-T49 PolarHBondContact OD1-N 2.89Å; N44-T49 PolarHBondContact OD1-O 2.86Å; N44-T49 VanDerWaalsContact OD1-O 3.09Å; N44-R64 WeakPolarHBondContact O-CD 3.23Å; N44-R64 PolarHBondContact O-NH1 3.08Å
45	P	95.8	Very high	95.1	Very high	35 Å²	35	59.7 Å²	59.7	23%	0.227	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.4	-46.7	179.3	-40.9	44.4	0	0	0	117	S22 R64 N66	S22-P45 VanDerWaalsContact O-CB 3.26Å; S22-P45 WeakPolarHBondContact O-CB 3.5Å; P45-R64 PolarHBondContact O-NE 2.83Å; P45-N66 PolarHBondContact O-ND2 2.85Å; P45-N66 VanDerWaalsContact O-ND2 3.07Å
46	D	95.4	Very high	95	Very high	110 Å²	110	53 Å²	53	59%	0.588	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	2.5	-174.2	66.7	7.6	0	0	0	113.4	N44 S48	N44-D46 VanDerWaalsContact C-N 3.34Å; N44-D46 PolarHBondContact ND2-OD1 3.26Å; N44-D46 PolarHBondContact O-N 3.13Å; N44-D46 PolarHBondContact OD1-OD1 2.93Å; N44-D46 VanDerWaalsContact OD1-OD1 3.09Å; D46-S48 VanDerWaalsContact CG-OG 3.29Å; D46-S48 PolarHBondContact O-N 2.9Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 2.94Å; D46-S48 PolarHBondContact OD1-N 3.12Å; D46-S48 PolarHBondContact OD1-OG 3.21Å; D46-S48 PolarHBondContact OD2-OG 2.9Å
47	S	96.4	Very high	94.7	Very high	52 Å²	52	56.5 Å²	56.5	36%	0.364	31%	0.311	S	S	.	.	S	Bend	trans	62.5	11.4	-177.2	-46.6	0	0	0	0	115.6	N44 T49 R64	N44-S47 PolarHBondContact O-N 2.96Å; N44-S47 VanDerWaalsContact OD1-C 3.32Å; N44-S47 VanDerWaalsContact OD1-CA 3.26Å; N44-S47 WeakPolarHBondContact OD1-CA 3.38Å; N44-S47 PolarHBondContact OD1-N 2.92Å; N44-S47 VanDerWaalsContact OD1-N 3.08Å; S47-T49 VanDerWaalsContact C-N 3.3Å; S47-R64 WeakPolarHBondContact OG-CD 3.41Å; S47-R64 WeakPolarHBondContact OG-CG 3.37Å
48	S	96.7	Very high	94.5	Very high	85 Å²	85	59.3 Å²	59.3	59%	0.594	33%	0.327	S	S	*	.	S	Bend	trans	-72.6	-24.1	177.5	63.4	0	0	0	0	113.1	N44 D46	N44-S48 PolarHBondContact ND2-OG 2.65Å; N44-S48 PolarHBondContact OD1-N 2.85Å; D46-S48 VanDerWaalsContact CG-OG 3.29Å; D46-S48 PolarHBondContact O-N 2.9Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 2.94Å; D46-S48 PolarHBondContact OD1-N 3.12Å; D46-S48 PolarHBondContact OD1-OG 3.21Å; D46-S48 PolarHBondContact OD2-OG 2.9Å
49	T	96.5	Very high	94.4	Very high	58 Å²	58	59 Å²	59	36%	0.356	32%	0.324	S	S	.	.			trans	-128.2	130.8	-178.2	-55.3	0	0	0	0	110.6	W25 N44 S47	W25-T49 HydrophobicContact CH2-CG2 4Å; N44-T49 PolarHBondContact N-O 3.42Å; N44-T49 VanDerWaalsContact N-O 3.12Å; N44-T49 PolarHBondContact OD1-N 2.89Å; N44-T49 PolarHBondContact OD1-O 2.86Å; N44-T49 VanDerWaalsContact OD1-O 3.09Å; S47-T49 VanDerWaalsContact C-N 3.3Å
50	I	96.5	Very high	94.3	Very high	61 Å²	61	55 Å²	55	31%	0.313	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.7	172.5	-45.2	179	0	0	0	108.6	E42 I43 Y52 I62	E42-I50 CarbonylContact O-C 3.59Å; E42-I50 VanDerWaalsContact O-CA 3.29Å; E42-I50 WeakPolarHBondContact O-CA 3.29Å; E42-I50 VanDerWaalsContact O-CG2 3.25Å; E42-I50 WeakPolarHBondContact O-CG2 3.41Å; I43-I50 HydrophobicContact CB-CG1 4.38Å; I43-I50 HydrophobicContact CB-CG2 4.49Å; I43-I50 HydrophobicContact CD1-CD1 3.9Å; I43-I50 HydrophobicContact CD1-CG1 3.98Å; I43-I50 HydrophobicContact CG1-CD1 4.46Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I50-Y52 HydrophobicContact CB-CE2 3.83Å; I50-Y52 HydrophobicContact CG2-CD2 3.95Å; I50-Y52 HydrophobicContact CG2-CE1 4.34Å; I50-Y52 HydrophobicContact CG2-CE2 3.24Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; I50-I62 HydrophobicContact CG2-CB 4.16Å; I50-I62 HydrophobicContact CG2-CD1 4.35Å
51	N	95.9	Very high	94.3	Very high	67 Å²	67	59.1 Å²	59.1	36%	0.358	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	145.1	173.7	-60.7	-36.9	0	0	0	109.3	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 3.77Å; W39-N51 HydrophobicContact CZ2-CB 4.42Å; G41-N51 CarbonylContact C-O 3.58Å; G41-N51 WeakPolarHBondContact CA-O 3.19Å; E42-N51 HydrophobicContact CG-CB 4.1Å; E42-N51 PolarHBondContact N-O 3.44Å; E42-N51 PolarHBondContact O-N 3.06Å; E42-N51 PolarHBondContact OE1-ND2 2.92Å
52	Y	95.8	Very high	94.3	Very high	45 Å²	45	59.3 Å²	59.3	18%	0.176	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.5	179.4	-70.8	-88	0	0	0	110.8	I40 I50 K57 F60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.39Å; I50-Y52 HydrophobicContact CB-CE2 3.83Å; I50-Y52 HydrophobicContact CG2-CD2 3.95Å; I50-Y52 HydrophobicContact CG2-CE1 4.34Å; I50-Y52 HydrophobicContact CG2-CE2 3.24Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; Y52-K57 HydrophobicContact CD2-CG 3.97Å; Y52-K57 HydrophobicContact CG-CB 4.17Å; Y52-K57 HydrophobicContact CG-CG 4.08Å; Y52-F60 VanDerWaalsContact CE1-O 3.27Å; Y52-F60 WeakPolarHBondContact CE1-O 3.01Å; Y52-I62 HydrophobicContact CD1-CD1 4.3Å; Y52-I62 HydrophobicContact CE1-CD1 3.8Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3.14Å
53	T	94.6	Very high	94.4	Very high	32 Å²	32	58.9 Å²	58.9	20%	0.196	33%	0.333	C	S	.	.			trans	-63	125.8	157.5	-67.8	0	0	0	0	108.5	W39 I40 S55 L56 K57	W39-T53 VanDerWaalsContact CE3-OG1 3.3Å; W39-T53 PolarHBondContact O-OG1 3.43Å; I40-T53 PolarHBondContact O-N 3.18Å; T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.4Å; T53-S55 PolarHBondContact O-N 3.28Å; T53-S55 VanDerWaalsContact O-N 3.12Å; T53-L56 HydrophobicContact CG2-CD1 4.32Å; T53-L56 HydrophobicContact CG2-CG 4.17Å; T53-L56 PolarHBondContact O-N 3.49Å; T53-K57 PolarHBondContact O-N 2.82Å
54	P	92.5	Very high	94.4	Very high	117 Å²	117	60 Å²	60	76%	0.76	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-39.2	-171.8	-30.9	35.8	0	0	0	114.7	L56	P54-L56 PolarHBondContact O-N 2.84Å
55	S	89.8	Confident	94.5	Very high	86 Å²	86	61.3 Å²	61.3	60%	0.601	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.7	179.6	57.3	0	0	0	0	114.5	T53	T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.4Å; T53-S55 PolarHBondContact O-N 3.28Å; T53-S55 VanDerWaalsContact O-N 3.12Å
56	L	89.8	Confident	94.5	Very high	5 Å²	5	62.5 Å²	62.5	3%	0.026	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-14.8	-173.3	-58.3	-173.5	0	0	0	112.9	R30 E38 I40 T53 P54 D58 K59 F60	R30-L56 VanDerWaalsContact NH2-CD2 3.32Å; E38-L56 HydrophobicContact CG-CD1 4.39Å; I40-L56 HydrophobicContact CB-CD1 4.42Å; I40-L56 HydrophobicContact CG1-CD1 4.15Å; I40-L56 HydrophobicContact CG2-CD1 4.44Å; T53-L56 HydrophobicContact CG2-CD1 4.32Å; T53-L56 HydrophobicContact CG2-CG 4.17Å; T53-L56 PolarHBondContact O-N 3.49Å; P54-L56 PolarHBondContact O-N 2.84Å; L56-D58 VanDerWaalsContact C-N 3.27Å; L56-D58 PolarHBondContact O-N 2.8Å; L56-K59 PolarHBondContact O-N 3.02Å; L56-F60 HydrophobicContact CB-CD2 3.84Å; L56-F60 HydrophobicContact CB-CE2 4.15Å; L56-F60 HydrophobicContact CD2-CE2 4.05Å; L56-F60 HydrophobicContact CG-CE2 4.45Å; L56-F60 WeakPolarHBondContact O-CD2 3.31Å; L56-F60 PolarHBondContact O-N 2.97Å
57	K	88.8	Confident	94.6	Very high	129 Å²	129	61.9 Å²	61.9	56%	0.561	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.7	-175.3	-175.3	178.5	178.1	-178.4	0	114	Y52 T53 K59	Y52-K57 HydrophobicContact CD2-CG 3.97Å; Y52-K57 HydrophobicContact CG-CB 4.17Å; Y52-K57 HydrophobicContact CG-CG 4.08Å; T53-K57 PolarHBondContact O-N 2.82Å; K57-K59 VanDerWaalsContact C-N 3.3Å; K57-K59 PolarHBondContact O-N 2.84Å
58	D	89.7	Confident	94.6	Very high	157 Å²	157	65.5 Å²	65.5	84%	0.84	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.8	-175.3	-60.7	-31.6	0	0	0	113.7	L56	L56-D58 VanDerWaalsContact C-N 3.27Å; L56-D58 PolarHBondContact O-N 2.8Å
59	K	91	Very high	94.6	Very high	52 Å²	52	64.4 Å²	64.4	23%	0.226	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-33.3	-176.9	-71.7	-177.1	165.8	-166.7	0	113.6	L56 K57 D82	L56-K59 PolarHBondContact O-N 3.02Å; K57-K59 VanDerWaalsContact C-N 3.3Å; K57-K59 PolarHBondContact O-N 2.84Å; K59-D82 IonicContact NZ-OD1 2.74Å; K59-D82 PolarHBondContact NZ-OD1 3.12Å; K59-D82 IonicContact NZ-OD2 2.95Å
60	F	93.8	Very high	94.6	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.009	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.9	-170.5	-62.4	-76.2	0	0	0	110.7	I40 Y52 L56 L73 Q74 M75 Y86	I40-F60 HydrophobicContact CG2-CB 3.98Å; I40-F60 HydrophobicContact CG2-CD2 3.99Å; I40-F60 HydrophobicContact CG2-CG 3.96Å; Y52-F60 VanDerWaalsContact CE1-O 3.27Å; Y52-F60 WeakPolarHBondContact CE1-O 3.01Å; L56-F60 HydrophobicContact CB-CD2 3.84Å; L56-F60 HydrophobicContact CB-CE2 4.15Å; L56-F60 HydrophobicContact CD2-CE2 4.05Å; L56-F60 HydrophobicContact CG-CE2 4.45Å; L56-F60 WeakPolarHBondContact O-CD2 3.31Å; L56-F60 PolarHBondContact O-N 2.97Å; F60-L73 HydrophobicContact CB-CD1 3.85Å; F60-L73 HydrophobicContact CD1-CD1 4.1Å; F60-L73 HydrophobicContact CD1-CD2 4.02Å; F60-L73 HydrophobicContact CD1-CG 4.01Å; F60-L73 HydrophobicContact CE1-CD2 4.5Å; F60-L73 HydrophobicContact CG-CD1 4.32Å; F60-Q74 CarbonylContact C-O 3.6Å; F60-Q74 WeakPolarHBondContact CA-O 3.31Å; F60-M75 HydrophobicContact CD1-CB 4.4Å; F60-M75 HydrophobicContact CD1-CE 4.1Å; F60-M75 HydrophobicContact CD1-CG 3.68Å; F60-M75 HydrophobicContact CD1-SD 4.39Å; F60-M75 HydrophobicContact CE1-CB 4.31Å; F60-M75 HydrophobicContact CE1-CE 3.67Å; F60-M75 HydrophobicContact CE1-CG 3.63Å; F60-M75 HydrophobicContact CE1-SD 3.8Å; F60-Y86 HydrophobicContact CE1-CE1 4.06Å; F60-Y86 HydrophobicContact CZ-CE1 4.39Å
61	I	95.9	Very high	94.7	Very high	86 Å²	86	59.5 Å²	59.5	44%	0.441	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.2	173.6	-57.8	172	0	0	0	107.8	Q74	I61-Q74 HydrophobicContact CB-CB 4.21Å; I61-Q74 PolarHBondContact N-O 2.84Å; I61-Q74 PolarHBondContact O-N 2.75Å
62	I	97.1	Very high	94.8	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.1	174.4	-58.4	173.1	0	0	0	108.6	I43 I50 Y52 L71 L73	I43-I62 HydrophobicContact CB-CG2 3.84Å; I43-I62 HydrophobicContact CD1-CG2 4.46Å; I43-I62 HydrophobicContact CG2-CG2 3.63Å; I50-I62 HydrophobicContact CG2-CB 4.16Å; I50-I62 HydrophobicContact CG2-CD1 4.35Å; Y52-I62 HydrophobicContact CD1-CD1 4.3Å; Y52-I62 HydrophobicContact CE1-CD1 3.8Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3.14Å; I62-L71 HydrophobicContact CG2-CD1 4.05Å; I62-L73 HydrophobicContact CG1-CD1 3.69Å
63	S	97.6	Very high	94.8	Very high	38 Å²	38	56 Å²	56	27%	0.266	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162	171.8	50.9	0	0	0	0	110.3	Y72	S63-Y72 PolarHBondContact N-O 3.06Å; S63-Y72 VanDerWaalsContact N-O 3.08Å; S63-Y72 PolarHBondContact O-N 3.08Å
64	R	97.6	Very high	94.9	Very high	26 Å²	26	58.1 Å²	58.1	10%	0.098	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.4	-178.6	63.2	-175.9	-67.3	158.8	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 4.13Å; F21-R64 VanDerWaalsContact CE1-NH2 3.31Å; F21-R64 HydrophobicContact CZ-CB 4.1Å; F21-R64 PolarHBondContact O-NH2 2.78Å; Y24-R64 PolarHBondContact O-NH1 2.77Å; I43-R64 HydrophobicContact CD1-CG 3.97Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; I43-R64 HydrophobicContact CG2-CB 4.45Å; N44-R64 WeakPolarHBondContact O-CD 3.23Å; N44-R64 PolarHBondContact O-NH1 3.08Å; P45-R64 PolarHBondContact O-NE 2.83Å; S47-R64 WeakPolarHBondContact OG-CD 3.41Å; S47-R64 WeakPolarHBondContact OG-CG 3.37Å; R64-N66 PolarHBondContact NE-OD1 2.91Å; R64-N66 PolarHBondContact NH2-OD1 2.98Å; R64-T70 CarbonylContact C-O 3.42Å; R64-T70 WeakPolarHBondContact CA-O 3.42Å; R64-L71 HydrophobicContact CB-CD1 4.11Å
65	D	97.3	Very high	95	Very high	41 Å²	41	52.9 Å²	52.9	22%	0.219	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	107.3	170.6	-176.7	-25.1	0	0	0	108.5	A67 K68 N69 T70 Y72	D65-A67 WeakPolarHBondContact OD1-CB 3.24Å; D65-A67 PolarHBondContact OD1-N 2.78Å; D65-K68 HydrophobicContact CB-CB 4.21Å; D65-K68 PolarHBondContact O-N 2.95Å; D65-K68 PolarHBondContact OD1-N 3.23Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 VanDerWaalsContact OD2-CD 3.28Å; D65-K68 WeakPolarHBondContact OD2-CD 3.38Å; D65-K68 WeakPolarHBondContact OD2-CE 2.82Å; D65-K68 WeakPolarHBondContact OD2-CG 3.39Å; D65-K68 IonicContact OD2-NZ 2.74Å; D65-K68 PolarHBondContact OD2-NZ 3.09Å; D65-N69 PolarHBondContact O-N 2.98Å; D65-T70 PolarHBondContact N-O 2.72Å; D65-T70 PolarHBondContact O-N 3.14Å; D65-Y72 HydrophobicContact CB-CE2 3.84Å
66	N	96.6	Very high	95	Very high	60 Å²	60	51.2 Å²	51.2	32%	0.321	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-29.9	-177.8	-71.5	-14.9	0	0	0	112.5	F21 P45 R64 K68 N69	F21-N66 WeakPolarHBondContact CE1-OD1 3.49Å; P45-N66 PolarHBondContact O-ND2 2.85Å; P45-N66 VanDerWaalsContact O-ND2 3.07Å; R64-N66 PolarHBondContact NE-OD1 2.91Å; R64-N66 PolarHBondContact NH2-OD1 2.98Å; N66-K68 VanDerWaalsContact C-N 3.25Å; N66-K68 PolarHBondContact O-N 2.91Å; N66-N69 PolarHBondContact O-N 2.8Å; N66-N69 PolarHBondContact O-OD1 3.03Å
67	A	96	Very high	94.9	Very high	97 Å²	97	58.9 Å²	58.9	80%	0.802	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-28.9	176.8	0	0	0	0	0	111.5	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.24Å; D65-A67 PolarHBondContact OD1-N 2.78Å
68	K	96.9	Very high	95	Very high	129 Å²	129	53.7 Å²	53.7	56%	0.561	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	1.9	177.7	-61.2	-174	-168.7	116.1	0	114.1	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.21Å; D65-K68 PolarHBondContact O-N 2.95Å; D65-K68 PolarHBondContact OD1-N 3.23Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 VanDerWaalsContact OD2-CD 3.28Å; D65-K68 WeakPolarHBondContact OD2-CD 3.38Å; D65-K68 WeakPolarHBondContact OD2-CE 2.82Å; D65-K68 WeakPolarHBondContact OD2-CG 3.39Å; D65-K68 IonicContact OD2-NZ 2.74Å; D65-K68 PolarHBondContact OD2-NZ 3.09Å; N66-K68 VanDerWaalsContact C-N 3.25Å; N66-K68 PolarHBondContact O-N 2.91Å; K68-T70 PolarHBondContact O-N 3.37Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 2.96Å
69	N	96.3	Very high	95.1	Very high	62 Å²	62	51.6 Å²	51.6	33%	0.332	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	39.1	-171.1	-61.7	-36.3	0	0	0	112.8	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 3.16Å; F21-N69 HydrophobicContact CB-CB 3.96Å; F21-N69 WeakPolarHBondContact CB-OD1 3.4Å; F21-N69 HydrophobicContact CD1-CB 4.47Å; F21-N69 HydrophobicContact CG-CB 4.2Å; D65-N69 PolarHBondContact O-N 2.98Å; N66-N69 PolarHBondContact O-N 2.8Å; N66-N69 PolarHBondContact O-OD1 3.03Å
70	T	97.6	Very high	95	Very high	16 Å²	16	53.5 Å²	53.5	10%	0.098	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.6	-170.2	-58.9	0	0	0	0	111.6	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.56Å; C14-T70 VanDerWaalsContact O-CA 3.31Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; R64-T70 CarbonylContact C-O 3.42Å; R64-T70 WeakPolarHBondContact CA-O 3.42Å; D65-T70 PolarHBondContact N-O 2.72Å; D65-T70 PolarHBondContact O-N 3.14Å; K68-T70 PolarHBondContact O-N 3.37Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 2.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.09Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.89Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.16Å
71	L	97.9	Very high	94.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.9	170.4	-170.5	70.8	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.58Å; S13-L71 WeakPolarHBondContact CA-O 3.37Å; C14-L71 HydrophobicContact CB-CB 4.44Å; C14-L71 PolarHBondContact N-O 2.76Å; C14-L71 PolarHBondContact O-N 2.81Å; F21-L71 HydrophobicContact CE2-CB 4.21Å; F21-L71 HydrophobicContact CZ-CB 4.13Å; M26-L71 HydrophobicContact CB-CD1 3.76Å; M26-L71 HydrophobicContact CB-CD2 3.92Å; M26-L71 HydrophobicContact CB-CG 4.37Å; W28-L71 HydrophobicContact CD2-CD2 4.26Å; W28-L71 HydrophobicContact CG-CD2 4.19Å; W28-L71 HydrophobicContact CZ2-CD2 4.28Å; W28-L71 HydrophobicContact CZ2-CG 4.33Å; W28-L71 VanDerWaalsContact NE1-CG 3.31Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å; I62-L71 HydrophobicContact CG2-CD1 4.05Å; R64-L71 HydrophobicContact CB-CD1 4.11Å; L71-C88 HydrophobicContact CD2-CB 4.01Å
72	Y	97.8	Very high	94.5	Very high	39 Å²	39	55.7 Å²	55.7	15%	0.153	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.7	179.3	-56.6	-78.1	0	0	0	111.8	K11 L12 W28 S63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.48Å; K11-Y72 VanDerWaalsContact CE-CD1 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.49Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.36Å; W28-Y72 PolarHBondContact NE1-O 2.91Å; W28-Y72 VanDerWaalsContact NE1-O 3.14Å; S63-Y72 PolarHBondContact N-O 3.06Å; S63-Y72 VanDerWaalsContact N-O 3.08Å; S63-Y72 PolarHBondContact O-N 3.08Å; D65-Y72 HydrophobicContact CB-CE2 3.84Å; T70-Y72 HydrophobicContact CG2-CD1 4.09Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.89Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.16Å
73	L	97.4	Very high	94.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	111	170.1	-170.3	64.4	0	0	0	108.6	K11 L12 W28 I40 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.53Å; K11-L73 WeakPolarHBondContact CA-O 3.2Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 PolarHBondContact N-O 3.36Å; L12-L73 PolarHBondContact O-N 2.92Å; W28-L73 HydrophobicContact CB-CD1 4.38Å; W28-L73 HydrophobicContact CB-CD2 4.26Å; W28-L73 HydrophobicContact CD2-CB 3.83Å; W28-L73 HydrophobicContact CD2-CD2 3.89Å; W28-L73 HydrophobicContact CD2-CG 4.33Å; W28-L73 HydrophobicContact CE3-CB 4.4Å; W28-L73 HydrophobicContact CE3-CD2 4.04Å; W28-L73 HydrophobicContact CG-CB 4.16Å; W28-L73 HydrophobicContact CG-CD1 4.03Å; W28-L73 HydrophobicContact CG-CD2 3.99Å; W28-L73 HydrophobicContact CG-CG 4.32Å; W28-L73 HydrophobicContact CH2-CB 4.43Å; W28-L73 HydrophobicContact CZ2-CB 3.84Å; I40-L73 HydrophobicContact CD1-CD2 3.78Å; I40-L73 HydrophobicContact CG2-CD1 4.4Å; F60-L73 HydrophobicContact CB-CD1 3.85Å; F60-L73 HydrophobicContact CD1-CD1 4.1Å; F60-L73 HydrophobicContact CD1-CD2 4.02Å; F60-L73 HydrophobicContact CD1-CG 4.01Å; F60-L73 HydrophobicContact CE1-CD2 4.5Å; F60-L73 HydrophobicContact CG-CD1 4.32Å; I62-L73 HydrophobicContact CG1-CD1 3.69Å; L73-M75 HydrophobicContact CD2-CE 3.41Å; L73-M75 VanDerWaalsContact CD2-CE 3.41Å; L73-M75 HydrophobicContact CG-CE 3.99Å; L73-Y86 HydrophobicContact CD2-CD1 3.74Å; L73-Y86 HydrophobicContact CD2-CE1 4.07Å
74	Q	95.9	Very high	94.1	Very high	75 Å²	75	59.2 Å²	59.2	35%	0.35	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.9	174.4	176.1	168.8	-18.9	0	0	109.9	F60 I61	F60-Q74 CarbonylContact C-O 3.6Å; F60-Q74 WeakPolarHBondContact CA-O 3.31Å; I61-Q74 HydrophobicContact CB-CB 4.21Å; I61-Q74 PolarHBondContact N-O 2.84Å; I61-Q74 PolarHBondContact O-N 2.75Å
75	M	93.4	Very high	94	Very high	7 Å²	7	62.9 Å²	62.9	3%	0.034	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.7	-178.6	-47.5	-178.9	172.1	0	0	107.8	S9 L10 L12 F60 L73 V78 Y86	S9-M75 CarbonylContact C-O 3.59Å; S9-M75 VanDerWaalsContact CA-O 3.24Å; S9-M75 WeakPolarHBondContact CA-O 3.23Å; S9-M75 WeakPolarHBondContact CB-O 3.27Å; L10-M75 HydrophobicContact CD2-SD 4.49Å; L10-M75 PolarHBondContact N-O 2.98Å; L10-M75 PolarHBondContact O-N 2.86Å; L12-M75 HydrophobicContact CD1-CE 3.47Å; L12-M75 VanDerWaalsContact CD1-CE 3.47Å; L12-M75 HydrophobicContact CG-CE 4.03Å; F60-M75 HydrophobicContact CD1-CB 4.4Å; F60-M75 HydrophobicContact CD1-CE 4.1Å; F60-M75 HydrophobicContact CD1-CG 3.68Å; F60-M75 HydrophobicContact CD1-SD 4.39Å; F60-M75 HydrophobicContact CE1-CB 4.31Å; F60-M75 HydrophobicContact CE1-CE 3.67Å; F60-M75 HydrophobicContact CE1-CG 3.63Å; F60-M75 HydrophobicContact CE1-SD 3.8Å; L73-M75 HydrophobicContact CD2-CE 3.41Å; L73-M75 VanDerWaalsContact CD2-CE 3.41Å; L73-M75 HydrophobicContact CG-CE 3.99Å; M75-V78 HydrophobicContact CB-CG2 3.91Å; M75-Y86 HydrophobicContact CE-CD1 3.5Å; M75-Y86 VanDerWaalsContact CE-CD1 3.5Å; M75-Y86 HydrophobicContact CE-CD2 4.11Å; M75-Y86 HydrophobicContact CE-CE1 3.18Å; M75-Y86 HydrophobicContact CE-CE2 3.84Å; M75-Y86 HydrophobicContact CE-CG 3.96Å; M75-Y86 HydrophobicContact SD-CE1 4.45Å
76	S	89.9	Confident	93.9	Very high	52 Å²	52	63.2 Å²	63.2	36%	0.364	34%	0.335	S	S	.	.			trans	-121.9	147.5	176.6	-56.4	0	0	0	0	110.1	V78	S76-V78 VanDerWaalsContact C-N 3.32Å; S76-V78 PolarHBondContact O-N 3.27Å
77	K	89.3	Confident	93.9	Very high	166 Å²	166	64.8 Å²	64.8	72%	0.722	34%	0.338	S	S	*	.	S	Bend	trans	54.8	47	-179.6	-54.5	177.1	-179.2	176.3	0	112	G8 R79	G8-K77 PolarHBondContact O-N 3.03Å; G8-K77 VanDerWaalsContact O-N 3.13Å; K77-R79 WeakPolarHBondContact O-CG 3.29Å; K77-R79 PolarHBondContact O-N 3.09Å
78	V	90.8	Very high	93.8	Very high	20 Å²	20	62.4 Å²	62.4	12%	0.121	31%	0.314	C	S	.	.			trans	-53.3	131.9	-176.8	175.6	0	0	0	0	110.4	P6 G7 G8 L10 M75 S76 D82	P6-V78 CarbonylContact C-O 3.56Å; P6-V78 VanDerWaalsContact CA-O 3.31Å; P6-V78 WeakPolarHBondContact CA-O 3.49Å; G7-V78 PolarHBondContact N-O 3.19Å; G8-V78 WeakPolarHBondContact O-CG2 3.25Å; G8-V78 PolarHBondContact O-N 3.49Å; L10-V78 HydrophobicContact CB-CG2 4.42Å; M75-V78 HydrophobicContact CB-CG2 3.91Å; S76-V78 VanDerWaalsContact C-N 3.32Å; S76-V78 PolarHBondContact O-N 3.27Å; V78-D82 HydrophobicContact CG1-CB 4.45Å
79	R	90.6	Very high	93.6	Very high	113 Å²	113	56.9 Å²	56.9	43%	0.426	29%	0.293	S	S	.	.			trans	-115.1	167.1	177.3	-52.5	-174.1	-58.7	-169.9	8.7	110.7	K77 E81 D82	K77-R79 WeakPolarHBondContact O-CG 3.29Å; K77-R79 PolarHBondContact O-N 3.09Å; R79-E81 IonicContact CZ-OE1 4Å; R79-E81 IonicContact CZ-OE2 3.78Å; R79-E81 IonicContact NE-OE1 3.63Å; R79-E81 IonicContact NE-OE2 3.74Å; R79-E81 IonicContact NH2-OE1 3.77Å; R79-E81 IonicContact NH2-OE2 3.84Å; R79-E81 PolarHBondContact NH2-OE2 3.09Å; R79-E81 PolarHBondContact O-N 3.08Å; R79-D82 PolarHBondContact N-OD2 3.22Å; R79-D82 WeakPolarHBondContact O-CB 3.49Å; R79-D82 PolarHBondContact O-N 2.97Å
80	S	88.8	Confident	93.2	Very high	92 Å²	92	55.3 Å²	55.3	64%	0.643	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-55.1	-36.1	174.2	51.5	0	0	0	0	112.4	D82 T83	S80-D82 PolarHBondContact O-N 3.02Å; S80-T83 WeakPolarHBondContact O-CB 3.19Å; S80-T83 PolarHBondContact O-N 3.4Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 3.43Å
81	E	88.7	Confident	91.9	Very high	121 Å²	121	55.6 Å²	55.6	57%	0.565	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-61.6	-23.2	175.8	-62.9	165.7	-142.4	0	0	114.2	R79 T83	R79-E81 IonicContact CZ-OE1 4Å; R79-E81 IonicContact CZ-OE2 3.78Å; R79-E81 IonicContact NE-OE1 3.63Å; R79-E81 IonicContact NE-OE2 3.74Å; R79-E81 IonicContact NH2-OE1 3.77Å; R79-E81 IonicContact NH2-OE2 3.84Å; R79-E81 PolarHBondContact NH2-OE2 3.09Å; R79-E81 PolarHBondContact O-N 3.08Å; E81-T83 PolarHBondContact O-N 3.05Å
82	D	90.6	Very high	90.2	Very high	12 Å²	12	59 Å²	59	6%	0.064	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-86.8	3.7	179.6	-52.6	-54.3	0	0	0	111.3	R30 K59 V78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.35Å; K59-D82 IonicContact NZ-OD1 2.74Å; K59-D82 PolarHBondContact NZ-OD1 3.12Å; K59-D82 IonicContact NZ-OD2 2.95Å; V78-D82 HydrophobicContact CG1-CB 4.45Å; R79-D82 PolarHBondContact N-OD2 3.22Å; R79-D82 WeakPolarHBondContact O-CB 3.49Å; R79-D82 PolarHBondContact O-N 2.97Å; S80-D82 PolarHBondContact O-N 3.02Å; D82-A84 PolarHBondContact O-N 3.38Å; D82-A84 VanDerWaalsContact O-N 3.16Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 2.74Å
83	T	92.6	Very high	88	Confident	92 Å²	92	61.3 Å²	61.3	56%	0.564	34%	0.342	S	S	*	.			trans	-69.5	108.7	173.7	-53.1	0	0	0	0	110.1	P33 S80 E81	P33-T83 WeakPolarHBondContact CD-O 3.46Å; S80-T83 WeakPolarHBondContact O-CB 3.19Å; S80-T83 PolarHBondContact O-N 3.4Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 3.43Å; E81-T83 PolarHBondContact O-N 3.05Å
84	A	94.3	Very high	85.7	Confident	23 Å²	23	65.7 Å²	65.7	19%	0.19	36%	0.359	C	S	.	.	S	Bend	trans	-156.5	165.3	-178.9	0	0	0	0	0	110.3	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.96Å; Q31-A84 WeakPolarHBondContact O-CA 3.4Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; A32-A84 HydrophobicContact CB-CB 4.38Å; D82-A84 PolarHBondContact O-N 3.38Å; D82-A84 VanDerWaalsContact O-N 3.16Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-Y86 WeakPolarHBondContact O-CD2 3.33Å; A84-Y86 WeakPolarHBondContact O-CE2 3.41Å
85	L	95.6	Very high	83.2	Confident	104 Å²	104	70.9 Å²	70.9	55%	0.545	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	137	158.8	-65.6	174.2	0	0	0	108.5	R30 Q31 Y87	R30-L85 CarbonylContact C-O 3.51Å; R30-L85 WeakPolarHBondContact CA-O 3.21Å; R30-L85 WeakPolarHBondContact CB-O 3.26Å; Q31-L85 PolarHBondContact N-O 2.79Å; Q31-L85 PolarHBondContact O-N 3.08Å; L85-Y87 HydrophobicContact CB-CE1 4.49Å; L85-Y87 HydrophobicContact CB-CE2 3.81Å; L85-Y87 VanDerWaalsContact CD1-OH 3.23Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.4Å
86	Y	95.6	Very high	80.4	Confident	47 Å²	47	74.8 Å²	74.8	18%	0.184	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.8	-179	-71.3	-95.2	0	0	0	109.4	L12 V29 R30 I40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.16Å; L12-Y86 HydrophobicContact CD1-CD2 3.99Å; L12-Y86 HydrophobicContact CD1-CG 3.63Å; V29-Y86 CarbonylContact O-C 3.5Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; R30-Y86 HydrophobicContact CB-CD1 3.76Å; R30-Y86 HydrophobicContact CB-CE1 3.72Å; R30-Y86 HydrophobicContact CB-CG 4.32Å; R30-Y86 HydrophobicContact CG-CE1 4.4Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.63Å; F60-Y86 HydrophobicContact CE1-CE1 4.06Å; F60-Y86 HydrophobicContact CZ-CE1 4.39Å; L73-Y86 HydrophobicContact CD2-CD1 3.74Å; L73-Y86 HydrophobicContact CD2-CE1 4.07Å; M75-Y86 HydrophobicContact CE-CD1 3.5Å; M75-Y86 VanDerWaalsContact CE-CD1 3.5Å; M75-Y86 HydrophobicContact CE-CD2 4.11Å; M75-Y86 HydrophobicContact CE-CE1 3.18Å; M75-Y86 HydrophobicContact CE-CE2 3.84Å; M75-Y86 HydrophobicContact CE-CG 3.96Å; M75-Y86 HydrophobicContact SD-CE1 4.45Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 2.74Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-Y86 WeakPolarHBondContact O-CD2 3.33Å; A84-Y86 WeakPolarHBondContact O-CE2 3.41Å
87	Y	95.6	Very high	77.9	Confident	94 Å²	94	85.4 Å²	85.4	37%	0.369	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.3	-176.2	-51.9	-80.3	0	0	0	109.7	W28 V29 Q31 L37 L85	W28-Y87 CarbonylContact C-O 3.43Å; W28-Y87 WeakPolarHBondContact CA-O 3.28Å; W28-Y87 VanDerWaalsContact CE3-O 3.28Å; V29-Y87 PolarHBondContact N-O 2.62Å; V29-Y87 PolarHBondContact O-N 2.98Å; Q31-Y87 HydrophobicContact CB-CE2 3.91Å; Q31-Y87 PolarHBondContact OE1-OH 3.2Å; L37-Y87 HydrophobicContact CD2-CD2 4.12Å; L37-Y87 HydrophobicContact CD2-CE2 4.02Å; L85-Y87 HydrophobicContact CB-CE1 4.49Å; L85-Y87 HydrophobicContact CB-CE2 3.81Å; L85-Y87 VanDerWaalsContact CD1-OH 3.23Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.4Å
88	C	94.8	Very high	77.3	Confident	47 Å²	47	81.4 Å²	81.4	32%	0.318	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.4	163.6	51.7	0	0	0	0	109	C14 S27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.02Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.77Å; S27-C88 CarbonylContact O-C 3.59Å; S27-C88 VanDerWaalsContact O-CA 3.31Å; S27-C88 WeakPolarHBondContact O-CA 3.46Å; W28-C88 HydrophobicContact CE3-CB 4.5Å; W28-C88 HydrophobicContact CH2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.38Å; L71-C88 HydrophobicContact CD2-CB 4.01Å
89	A	92.9	Very high	76.6	Confident	13 Å²	13	84.6 Å²	84.6	11%	0.107	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	144.8	-178.9	0	0	0	0	0	111.4	S27 W94	S27-A89 PolarHBondContact N-O 3.07Å; S27-A89 PolarHBondContact O-N 2.78Å; A89-W94 HydrophobicContact CB-CZ2 4.47Å; A89-W94 VanDerWaalsContact CB-NE1 3.26Å
90	S	87.3	Confident	75.8	Confident	28 Å²	28	83.1 Å²	83.1	20%	0.196	45%	0.452	C	S	.	.			trans	-95.9	151.3	167.7	62.2	0	0	0	0	110.4	G92 T93	S90-G92 PolarHBondContact O-N 3.31Å; S90-T93 WeakPolarHBondContact O-CB 3.24Å; S90-T93 PolarHBondContact O-N 2.75Å; S90-T93 PolarHBondContact O-OG1 2.93Å
91	P	70.5	Confident	75.1	Confident	23 Å²	23	82.5 Å²	82.5	15%	0.149	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-49.9	-30	-178.2	-29	29.4	0	0	0	115	W25 T93 W94 F95	W25-P91 HydrophobicContact CB-CG 3.73Å; W25-P91 WeakPolarHBondContact O-CD 3.26Å; W25-P91 WeakPolarHBondContact O-CG 3.43Å; P91-T93 PolarHBondContact O-N 2.6Å; P91-W94 PolarHBondContact O-N 2.99Å; P91-W94 VanDerWaalsContact O-N 3.15Å; P91-F95 HydrophobicContact CB-CD2 4.38Å; P91-F95 HydrophobicContact CB-CE2 3.72Å; P91-F95 WeakPolarHBondContact O-CD2 3.21Å
92	G	61.5	Low	74.2	Confident	72 Å²	72	80.1 Å²	80.1	74%	0.742	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-60.7	-4.9	174.3	0	0	0	0	0	115.5	S90	S90-G92 PolarHBondContact O-N 3.31Å
93	T	53	Low	73.1	Confident	87 Å²	87	84.7 Å²	84.7	53%	0.534	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-102.9	-4.4	178.8	59.1	0	0	0	0	114.3	S90 P91	S90-T93 WeakPolarHBondContact O-CB 3.24Å; S90-T93 PolarHBondContact O-N 2.75Å; S90-T93 PolarHBondContact O-OG1 2.93Å; P91-T93 PolarHBondContact O-N 2.6Å
94	W	48.8	Very low	71.7	Confident	92 Å²	92	84.1 Å²	84.1	35%	0.348	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-8.9	-174.4	-61.1	98.8	0	0	0	115.7	V29 L37 A89 P91 A96	V29-W94 HydrophobicContact CB-CZ2 4.48Å; V29-W94 HydrophobicContact CG1-CH2 4.37Å; V29-W94 HydrophobicContact CG1-CZ2 4.45Å; V29-W94 HydrophobicContact CG2-CH2 4.27Å; V29-W94 HydrophobicContact CG2-CZ2 3.66Å; L37-W94 HydrophobicContact CD1-CH2 3.99Å; A89-W94 HydrophobicContact CB-CZ2 4.47Å; A89-W94 VanDerWaalsContact CB-NE1 3.26Å; P91-W94 PolarHBondContact O-N 2.99Å; P91-W94 VanDerWaalsContact O-N 3.15Å; W94-A96 PolarHBondContact O-N 3.21Å
95	F	42.5	Very low	70	Confident	183 Å²	183	88.8 Å²	88.8	80%	0.803	47%	0.471	S	S	*	.			trans	-84.5	19.2	176.9	-66.1	-63.4	0	0	0	114.5	P91	P91-F95 HydrophobicContact CB-CD2 4.38Å; P91-F95 HydrophobicContact CB-CE2 3.72Å; P91-F95 WeakPolarHBondContact O-CD2 3.21Å
96	A	35.3	Very low	67.8	Low	90 Å²	90	87.6 Å²	87.6	74%	0.744	46%	0.464	S	S	*	.			trans	-111.3	82.3	170.1	0	0	0	0	0	109.3	W94	W94-A96 PolarHBondContact O-N 3.21Å
97	Y	36.3	Very low	65.3	Low	275 Å²	275	91.3 Å²	91.3	100%	1.078	49%	0.49	S	S	*	.			trans	-123	0	152	-75.9	-74.9	0	0	0	107.8

Retrieved 97 of 97 residues in 25.3 ms (Link to these results)

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