X5J4L1_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4L1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 92 aa.

						>X5J4L1_MOUSE|X5J4L1
GGLGQPGGSLKLSCETSGFTFSECYMYWVRQTPEKRLEWVAYISNGGGSTYYPDTVKGRFTISRDNAKNTLYLQMSRLKSEDTAMYYCARHP
					

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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	54.9	Low	81.8	Confident	130 Å²	130	88.2 Å²	88.2	100%	1.34	60%	0.604	S	S	*	*				0	147.6	0	0	0	0	0	0	108.9
2	G	68.6	Low	83.1	Confident	42 Å²	42	82.5 Å²	82.5	43%	0.433	56%	0.563	S	S	.	*			trans	-126.1	149.3	178.9	0	0	0	0	0	111.1	L10	G2-L10 WeakPolarHBondContact O-CD2 3.4Å
3	L	72.8	Confident	84.2	Confident	184 Å²	184	82.7 Å²	82.7	96%	0.963	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-91.7	116.3	174.4	-74.8	157	0	0	0	108.3
4	G	74.6	Confident	85.1	Confident	38 Å²	38	77.8 Å²	77.8	39%	0.392	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-101.7	142.5	173	0	0	0	0	0	110.7
5	Q	81.9	Confident	85.9	Confident	161 Å²	161	83.5 Å²	83.5	75%	0.752	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-86	151.1	172.2	-68	-179	-15.3	0	0	110.8	G7 G8	Q5-G7 PolarHBondContact O-N 3.33Å; Q5-G8 WeakPolarHBondContact O-CA 3.46Å; Q5-G8 PolarHBondContact O-N 3.06Å
6	P	83.6	Confident	86.3	Confident	102 Å²	102	79.8 Å²	79.8	66%	0.662	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	137	170.4	-24.7	34.1	0	0	0	111.6	G8	P6-G8 PolarHBondContact O-N 3.27Å; P6-G8 VanDerWaalsContact O-N 3.14Å
7	G	87.1	Confident	86.8	Confident	60 Å²	60	81.4 Å²	81.4	62%	0.619	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-15	-173.5	0	0	0	0	0	114.7	Q5 L78	Q5-G7 PolarHBondContact O-N 3.33Å; G7-L78 PolarHBondContact N-O 2.98Å
8	G	91.8	Very high	87.2	Confident	25 Å²	25	81.7 Å²	81.7	26%	0.258	56%	0.555	S	S	.	*			trans	-76.1	-174.1	178.5	0	0	0	0	0	113.9	Q5 P6 R77 L78	Q5-G8 WeakPolarHBondContact O-CA 3.46Å; Q5-G8 PolarHBondContact O-N 3.06Å; P6-G8 PolarHBondContact O-N 3.27Å; P6-G8 VanDerWaalsContact O-N 3.14Å; G8-R77 PolarHBondContact O-N 2.75Å; G8-R77 VanDerWaalsContact O-N 3.14Å; G8-L78 PolarHBondContact O-N 2.78Å; G8-L78 VanDerWaalsContact O-N 3.11Å
9	S	94.1	Very high	87.4	Confident	77 Å²	77	80.4 Å²	80.4	54%	0.538	54%	0.539	S	S	.	.			trans	-127.2	147.5	174.2	-60.5	0	0	0	0	110.4	M75	S9-M75 CarbonylContact C-O 3.56Å; S9-M75 WeakPolarHBondContact CA-O 3.33Å; S9-M75 VanDerWaalsContact CB-O 3.32Å; S9-M75 WeakPolarHBondContact CB-O 3.33Å
10	L	94.8	Very high	87.7	Confident	36 Å²	36	79.9 Å²	79.9	19%	0.188	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.2	177.6	177	63.3	0	0	0	109	G2 L12 M75 L78	G2-L10 WeakPolarHBondContact O-CD2 3.4Å; L10-L12 HydrophobicContact CD2-CD2 3.74Å; L10-L12 HydrophobicContact CG-CD2 4.09Å; L10-M75 PolarHBondContact N-O 3.25Å; L10-M75 PolarHBondContact O-N 2.02Å; L10-L78 HydrophobicContact CB-CD1 3.96Å
11	K	96.1	Very high	88	Confident	115 Å²	115	76.1 Å²	76.1	50%	0.5	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.6	170.4	-169.7	176.2	178.5	-178.9	0	109.6	L73	K11-L73 WeakPolarHBondContact CA-O 3.25Å
12	L	96.9	Very high	89.9	Confident	20 Å²	20	72.4 Å²	72.4	11%	0.105	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	148.7	170.2	-55.5	-179.2	0	0	0	109.9	L10 W28 Y72 L73 M75 Y86	L10-L12 HydrophobicContact CD2-CD2 3.74Å; L10-L12 HydrophobicContact CG-CD2 4.09Å; L12-W28 HydrophobicContact CB-CH2 3.78Å; L12-W28 HydrophobicContact CB-CZ2 4.05Å; L12-W28 HydrophobicContact CB-CZ3 4.37Å; L12-W28 HydrophobicContact CD1-CH2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 4.17Å; L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.5Å; L12-L73 HydrophobicContact CB-CB 4.24Å; L12-L73 HydrophobicContact CD1-CD2 4.36Å; L12-L73 PolarHBondContact N-O 3.12Å; L12-L73 PolarHBondContact O-N 2.83Å; L12-M75 HydrophobicContact CD1-SD 3.89Å; L12-M75 HydrophobicContact CG-SD 4.1Å; L12-Y86 HydrophobicContact CD1-CD1 4.03Å; L12-Y86 HydrophobicContact CD1-CD2 4.16Å; L12-Y86 HydrophobicContact CD1-CG 3.66Å
13	S	97.5	Very high	91.1	Very high	85 Å²	85	76.3 Å²	76.3	59%	0.594	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.7	173	56.7	0	0	0	0	110	L71	S13-L71 CarbonylContact C-O 3.5Å; S13-L71 WeakPolarHBondContact CA-O 3.02Å
14	C	96.9	Very high	92.1	Very high	14 Å²	14	68 Å²	68	10%	0.095	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	108.1	171.3	165.4	0	0	0	0	108.7	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.02Å; C14-T70 CarbonylContact O-C 3.47Å; C14-T70 WeakPolarHBondContact O-CA 3.33Å; C14-L71 HydrophobicContact CB-CB 4.46Å; C14-L71 PolarHBondContact N-O 2.79Å; 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 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.02Å
15	E	96.6	Very high	93.1	Very high	163 Å²	163	70.2 Å²	70.2	76%	0.762	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.1	171.1	-171.9	177	160.9	0	0	108.8
16	T	93.2	Very high	93.8	Very high	24 Å²	24	62.7 Å²	62.7	15%	0.147	39%	0.388	C	S	.	.			trans	-127.9	150.9	-173.9	62.2	0	0	0	0	111.4	F19 F21 M26 N69	T16-F19 HydrophobicContact CG2-CE1 4.36Å; T16-F19 HydrophobicContact CG2-CZ 4Å; T16-F19 WeakPolarHBondContact OG1-CZ 3.24Å; T16-F21 VanDerWaalsContact OG1-CD2 3.23Å; T16-F21 WeakPolarHBondContact OG1-CD2 3Å; T16-M26 HydrophobicContact CG2-CE 4.33Å; T16-N69 PolarHBondContact N-O 3.02Å; T16-N69 WeakPolarHBondContact O-CB 3.48Å; T16-N69 PolarHBondContact OG1-O 2.82Å
17	S	94.1	Very high	94.5	Very high	108 Å²	108	60 Å²	60	76%	0.755	37%	0.365	S	S	*	.			trans	-144	162.8	178.4	61.9	0	0	0	0	110.5	F19	S17-F19 WeakPolarHBondContact O-CD1 3.21Å
18	G	93.3	Very high	95	Very high	86 Å²	86	57.6 Å²	57.6	89%	0.887	34%	0.337	S	S	*	.	S	Bend	trans	86.3	9.8	176.7	0	0	0	0	0	115.9
19	F	91.4	Very high	95.2	Very high	57 Å²	57	57.9 Å²	57.9	25%	0.25	33%	0.334	C	S	.	.	S	Bend	trans	-157.5	164.9	172.3	61.7	-83.6	0	0	0	111.4	T16 S17 F21 C24 M26	T16-F19 HydrophobicContact CG2-CE1 4.36Å; T16-F19 HydrophobicContact CG2-CZ 4Å; T16-F19 WeakPolarHBondContact OG1-CZ 3.24Å; S17-F19 WeakPolarHBondContact O-CD1 3.21Å; F19-F21 HydrophobicContact CE2-CB 4.24Å; F19-F21 HydrophobicContact CE2-CD2 4.13Å; F19-F21 HydrophobicContact CZ-CD2 4.35Å; F19-F21 PolarHBondContact O-N 2.97Å; F19-F21 VanDerWaalsContact O-N 3.08Å; F19-C24 HydrophobicContact CD2-CB 4.49Å; F19-C24 HydrophobicContact CE2-CB 4.33Å; F19-M26 HydrophobicContact CE2-SD 4.37Å; F19-M26 HydrophobicContact CZ-CE 4.44Å
20	T	94	Very high	95.3	Very high	71 Å²	71	55 Å²	55	44%	0.436	31%	0.311	S	S	.	.			trans	-75.8	92.7	174.6	-47.2	0	0	0	0	110.3	S22 E23	T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 PolarHBondContact O-N 2.72Å; T20-E23 WeakPolarHBondContact CB-OE2 3.46Å; T20-E23 HydrophobicContact CG2-CB 4.16Å; T20-E23 HydrophobicContact CG2-CG 3.61Å; T20-E23 PolarHBondContact O-N 3.41Å
21	F	94.1	Very high	95.4	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-54.5	-39.4	-175.7	178.7	-100.2	0	0	0	113.5	T16 F19 E23 C24 M26 R64 N66 N69 L71	T16-F21 VanDerWaalsContact OG1-CD2 3.23Å; T16-F21 WeakPolarHBondContact OG1-CD2 3Å; F19-F21 HydrophobicContact CE2-CB 4.24Å; F19-F21 HydrophobicContact CE2-CD2 4.13Å; F19-F21 HydrophobicContact CZ-CD2 4.35Å; F19-F21 PolarHBondContact O-N 2.97Å; F19-F21 VanDerWaalsContact O-N 3.08Å; F21-E23 PolarHBondContact O-N 3.2Å; F21-C24 PolarHBondContact O-N 2.85Å; F21-M26 HydrophobicContact CD2-CE 4.11Å; F21-M26 HydrophobicContact CD2-CG 4.27Å; F21-M26 HydrophobicContact CD2-SD 4.06Å; F21-M26 HydrophobicContact CE2-CE 3.68Å; F21-M26 HydrophobicContact CE2-CG 3.68Å; F21-M26 HydrophobicContact CE2-SD 3.9Å; F21-M26 HydrophobicContact CZ-CG 4.04Å; F21-R64 HydrophobicContact CE1-CB 4.07Å; F21-R64 HydrophobicContact CZ-CB 4.08Å; F21-R64 PolarHBondContact O-NH2 3.06Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.41Å; F21-N66 VanDerWaalsContact CE1-OD1 3.27Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.39Å; F21-N69 HydrophobicContact CB-CB 4.02Å; F21-N69 WeakPolarHBondContact CB-OD1 3.23Å; F21-N69 HydrophobicContact CG-CB 4.22Å; F21-L71 HydrophobicContact CE2-CB 4.41Å; F21-L71 HydrophobicContact CZ-CB 4.31Å
22	S	93.9	Very high	95.3	Very high	52 Å²	52	51.7 Å²	51.7	36%	0.364	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-68.6	-12.6	179.5	55	0	0	0	0	114.9	T20 N45	T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 PolarHBondContact O-N 2.72Å; S22-N45 WeakPolarHBondContact O-CB 3.43Å
23	E	93.8	Very high	95	Very high	124 Å²	124	55.3 Å²	55.3	58%	0.579	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-94	-19.5	176.2	-69.7	176.4	171.2	0	0	111.9	T20 F21	T20-E23 WeakPolarHBondContact CB-OE2 3.46Å; T20-E23 HydrophobicContact CG2-CB 4.16Å; T20-E23 HydrophobicContact CG2-CG 3.61Å; T20-E23 PolarHBondContact O-N 3.41Å; F21-E23 PolarHBondContact O-N 3.2Å
24	C	94.4	Very high	94.8	Very high	8 Å²	8	58.3 Å²	58.3	5%	0.054	33%	0.327	C	S	.	.	S	Bend	trans	-94.1	145.4	-177.2	-63.7	0	0	0	0	113.6	F19 F21 M26 N45 R64 R90	F19-C24 HydrophobicContact CD2-CB 4.49Å; F19-C24 HydrophobicContact CE2-CB 4.33Å; F21-C24 PolarHBondContact O-N 2.85Å; C24-M26 HydrophobicContact CB-SD 4.15Å; C24-N45 WeakPolarHBondContact O-CA 3.37Å; C24-R64 PolarHBondContact O-NH1 2.98Å; C24-R64 VanDerWaalsContact O-NH1 3.08Å; C24-R90 HydrophobicContact CB-CB 4.29Å
25	Y	95.5	Very high	94.5	Very high	86 Å²	86	65.8 Å²	65.8	34%	0.337	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.7	159	-61.5	-71.6	0	0	0	110.3	Y27 Y42 R90 H91	Y25-Y27 VanDerWaalsContact CB-OH 3.31Å; Y25-Y27 WeakPolarHBondContact CB-OH 3.46Å; Y25-Y42 AromaticContact CD1-CE2 3.43Å; Y25-Y42 HydrophobicContact CD1-CE2 3.43Å; Y25-Y42 VanDerWaalsContact CD1-CE2 3.43Å; Y25-Y42 AromaticContact CD1-CZ 3.6Å; Y25-Y42 WeakPolarHBondContact CD1-OH 3.49Å; Y25-Y42 HydrophobicContact CE1-CE2 4.32Å; Y25-Y42 WeakPolarHBondContact CE1-OH 3.27Å; Y25-Y42 AromaticContact CG-CE2 3.9Å; Y25-Y42 HydrophobicContact CG-CE2 3.9Å; Y25-R90 WeakPolarHBondContact O-CA 3.26Å; Y25-H91 PolarHBondContact N-O 3.14Å; Y25-H91 VanDerWaalsContact N-O 3.13Å; Y25-H91 PolarHBondContact O-N 3.27Å
26	M	97.2	Very high	94.3	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.4	-177.5	-60.8	-55.5	-67.1	0	0	111.3	T16 F19 F21 C24 Y42 I43 L71 R90	T16-M26 HydrophobicContact CG2-CE 4.33Å; F19-M26 HydrophobicContact CE2-SD 4.37Å; F19-M26 HydrophobicContact CZ-CE 4.44Å; F21-M26 HydrophobicContact CD2-CE 4.11Å; F21-M26 HydrophobicContact CD2-CG 4.27Å; F21-M26 HydrophobicContact CD2-SD 4.06Å; F21-M26 HydrophobicContact CE2-CE 3.68Å; F21-M26 HydrophobicContact CE2-CG 3.68Å; F21-M26 HydrophobicContact CE2-SD 3.9Å; F21-M26 HydrophobicContact CZ-CG 4.04Å; C24-M26 HydrophobicContact CB-SD 4.15Å; M26-Y42 WeakPolarHBondContact O-CA 3.45Å; M26-I43 HydrophobicContact CB-CG2 3.85Å; M26-I43 PolarHBondContact N-O 2.67Å; M26-I43 PolarHBondContact O-N 3.13Å; M26-L71 HydrophobicContact CB-CD1 3.69Å; M26-L71 HydrophobicContact CB-CD2 4Å; M26-L71 HydrophobicContact CB-CG 4.43Å; M26-L71 HydrophobicContact CG-CD1 4.39Å; M26-R90 HydrophobicContact CE-CB 4.09Å; M26-R90 HydrophobicContact SD-CB 3.62Å
27	Y	96.9	Very high	94.3	Very high	47 Å²	47	70.1 Å²	70.1	18%	0.184	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.1	-175.4	-44.7	-97.1	0	0	0	110.9	Y25 W39 A41 Y42 C88 A89 H91	Y25-Y27 VanDerWaalsContact CB-OH 3.31Å; Y25-Y27 WeakPolarHBondContact CB-OH 3.46Å; Y27-W39 AromaticContact CD1-NE1 3.47Å; Y27-A41 CarbonylContact C-O 3.44Å; Y27-A41 VanDerWaalsContact CA-O 3.24Å; Y27-A41 WeakPolarHBondContact CA-O 3.19Å; Y27-Y42 AromaticContact CD1-CD2 3.61Å; Y27-Y42 HydrophobicContact CD1-CD2 3.61Å; Y27-Y42 HydrophobicContact CD1-CG 4.23Å; Y27-Y42 AromaticContact CE1-CD2 3.18Å; Y27-Y42 HydrophobicContact CE1-CD2 3.18Å; Y27-Y42 AromaticContact CE1-CE2 3.81Å; Y27-Y42 HydrophobicContact CE1-CE2 3.81Å; Y27-Y42 HydrophobicContact CE1-CG 4.06Å; Y27-Y42 AromaticContact CZ-CD2 3.73Å; Y27-Y42 AromaticContact CZ-CE2 3.98Å; Y27-C88 WeakPolarHBondContact O-CA 3.16Å; Y27-A89 PolarHBondContact N-O 2.79Å; Y27-A89 PolarHBondContact O-N 3.38Å; Y27-H91 HydrophobicContact CE2-CB 3.38Å; Y27-H91 VanDerWaalsContact OH-CB 3.23Å; Y27-H91 WeakPolarHBondContact OH-CB 3.23Å
28	W	98	Very high	94.4	Very high	9 Å²	9	67 Å²	67	3%	0.034	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.4	158.3	-77.4	97.1	0	0	0	109.4	L12 C14 V40 A41 L71 Y72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.78Å; L12-W28 HydrophobicContact CB-CZ2 4.05Å; L12-W28 HydrophobicContact CB-CZ3 4.37Å; L12-W28 HydrophobicContact CD1-CH2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 4.17Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.02Å; W28-V40 HydrophobicContact CB-CB 4.03Å; W28-V40 HydrophobicContact CB-CG1 4.41Å; W28-V40 WeakPolarHBondContact O-CB 3.31Å; W28-V40 PolarHBondContact O-N 3.02Å; W28-A41 PolarHBondContact N-O 3.33Å; W28-A41 PolarHBondContact O-N 2.96Å; W28-L71 HydrophobicContact CD2-CD2 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.33Å; W28-L71 HydrophobicContact CZ2-CD2 4.46Å; W28-L71 VanDerWaalsContact NE1-CD2 3.31Å; W28-Y72 PolarHBondContact NE1-O 3.18Å; W28-L73 HydrophobicContact CB-CD2 4.25Å; W28-L73 HydrophobicContact CD2-CB 4.1Å; W28-L73 HydrophobicContact CD2-CD2 4.24Å; W28-L73 HydrophobicContact CG-CB 4.15Å; W28-L73 HydrophobicContact CG-CD1 4.34Å; W28-L73 HydrophobicContact CG-CD2 4.02Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.25Å; W28-Y87 WeakPolarHBondContact CA-O 3.43Å; W28-C88 HydrophobicContact CZ3-CB 4.48Å
29	V	97.3	Very high	94.5	Very high	31 Å²	31	66.9 Å²	66.9	19%	0.188	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144	173.5	-174.8	0	0	0	0	107.1	L37 E38 Y87 A89	V29-L37 HydrophobicContact CG1-CB 4.43Å; V29-L37 HydrophobicContact CG1-CD2 4.04Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 3.04Å; V29-A89 HydrophobicContact CG2-CB 4.36Å
30	R	96.3	Very high	94.7	Very high	17 Å²	17	64.2 Å²	64.2	6%	0.064	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.2	172.9	72.4	-177.2	-177.3	-177.5	6	111.1	L37 E38 V40 D82 A84 M85 Y86	R30-L37 WeakPolarHBondContact O-CA 3.46Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 3.79Å; R30-E38 PolarHBondContact N-O 3.03Å; R30-E38 IonicContact NE-OE2 3.08Å; R30-E38 PolarHBondContact NE-OE2 2.93Å; R30-E38 IonicContact NH2-OE2 3.87Å; R30-E38 PolarHBondContact NH2-OE2 3.39Å; R30-E38 PolarHBondContact O-N 3.25Å; R30-V40 HydrophobicContact CB-CG2 3.83Å; R30-V40 HydrophobicContact CG-CG2 3.64Å; R30-D82 IonicContact NH1-OD1 2.99Å; R30-D82 PolarHBondContact NH1-OD1 3.03Å; R30-D82 VanDerWaalsContact NH1-OD1 3.08Å; R30-A84 HydrophobicContact CB-CB 3.82Å; R30-A84 HydrophobicContact CG-CB 4.09Å; R30-M85 CarbonylContact C-O 3.58Å; R30-M85 WeakPolarHBondContact CA-O 3.48Å; R30-Y86 HydrophobicContact CB-CD1 3.82Å; R30-Y86 HydrophobicContact CB-CD2 4.42Å; R30-Y86 HydrophobicContact CB-CE1 3.75Å; R30-Y86 HydrophobicContact CB-CE2 4.35Å; R30-Y86 HydrophobicContact CB-CG 4.15Å; R30-Y86 WeakPolarHBondContact CD-OH 3Å; R30-Y86 HydrophobicContact CG-CE1 4.41Å; R30-Y86 PolarHBondContact NH1-OH 2.98Å
31	Q	96.4	Very high	94.9	Very high	64 Å²	64	60.8 Å²	60.8	30%	0.299	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.2	170.2	-170.1	173.7	41.1	0	0	108.9	R36 L37 A84 M85 Y87	Q31-R36 WeakPolarHBondContact CA-O 3.37Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 4.15Å; Q31-A84 WeakPolarHBondContact O-CA 3.04Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; Q31-M85 PolarHBondContact N-O 3.09Å; Q31-M85 PolarHBondContact O-N 3.08Å; Q31-Y87 HydrophobicContact CB-CE2 3.84Å
32	T	93.8	Very high	95.1	Very high	17 Å²	17	63.3 Å²	63.3	10%	0.104	30%	0.296	C	S	.	.			trans	-70.5	163.9	177.4	76.7	0	0	0	0	110.8	E34 K35 R36 E38	T32-E34 WeakPolarHBondContact CB-OE2 3.24Å; T32-E34 PolarHBondContact O-N 3.21Å; T32-E34 VanDerWaalsContact O-N 3.13Å; T32-E34 PolarHBondContact OG1-N 2.99Å; T32-E34 PolarHBondContact OG1-OE2 2.93Å; T32-K35 WeakPolarHBondContact O-CA 3.41Å; T32-K35 PolarHBondContact O-N 3.4Å; T32-R36 HydrophobicContact CG2-CB 4.49Å; T32-R36 PolarHBondContact N-O 2.81Å; T32-E38 HydrophobicContact CG2-CG 4.34Å
33	P	91.3	Very high	95.3	Very high	96 Å²	96	61.1 Å²	61.1	62%	0.623	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-29.6	174.1	-27.3	36.9	0	0	0	113.8	K35	P33-K35 PolarHBondContact O-N 3.22Å
34	E	92.9	Very high	95.4	Very high	148 Å²	148	55.8 Å²	55.8	69%	0.692	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	8.8	175.2	-52.8	70.7	-149.4	0	0	113.1	T32 R36	T32-E34 WeakPolarHBondContact CB-OE2 3.24Å; T32-E34 PolarHBondContact O-N 3.21Å; T32-E34 VanDerWaalsContact O-N 3.13Å; T32-E34 PolarHBondContact OG1-N 2.99Å; T32-E34 PolarHBondContact OG1-OE2 2.93Å; E34-R36 PolarHBondContact O-N 3.5Å
35	K	89.7	Confident	95.4	Very high	170 Å²	170	58.5 Å²	58.5	74%	0.739	27%	0.271	S	S	*	.			trans	65.6	13.7	-179.6	-54	-179.4	179.3	178.7	0	115	T32 P33	T32-K35 WeakPolarHBondContact O-CA 3.41Å; T32-K35 PolarHBondContact O-N 3.4Å; P33-K35 PolarHBondContact O-N 3.22Å
36	R	92.1	Very high	95.1	Very high	162 Å²	162	57.3 Å²	57.3	61%	0.611	28%	0.284	S	S	*	.			trans	-74	128.2	173.7	-173.2	-177	-178.6	-174.7	5.1	109.9	Q31 T32 E34 E38	Q31-R36 WeakPolarHBondContact CA-O 3.37Å; T32-R36 HydrophobicContact CG2-CB 4.49Å; T32-R36 PolarHBondContact N-O 2.81Å; E34-R36 PolarHBondContact O-N 3.5Å; R36-E38 HydrophobicContact CG-CG 4.11Å; R36-E38 IonicContact CZ-OE1 3.65Å; R36-E38 IonicContact NE-OE1 3.69Å; R36-E38 IonicContact NH1-OE1 3.33Å; R36-E38 PolarHBondContact NH1-OE1 3.13Å
37	L	94.3	Very high	94.8	Very high	116 Å²	116	58.5 Å²	58.5	61%	0.607	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.9	169.7	-72	171.1	0	0	0	109.8	V29 R30 Q31	V29-L37 HydrophobicContact CG1-CB 4.43Å; V29-L37 HydrophobicContact CG1-CD2 4.04Å; R30-L37 WeakPolarHBondContact O-CA 3.46Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 4.15Å
38	E	95.1	Very high	94.7	Very high	43 Å²	43	59.9 Å²	59.9	20%	0.201	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.6	179.1	-62.9	-172.6	159.7	0	0	109.9	V29 R30 T32 R36	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 3.79Å; R30-E38 PolarHBondContact N-O 3.03Å; R30-E38 IonicContact NE-OE2 3.08Å; R30-E38 PolarHBondContact NE-OE2 2.93Å; R30-E38 IonicContact NH2-OE2 3.87Å; R30-E38 PolarHBondContact NH2-OE2 3.39Å; R30-E38 PolarHBondContact O-N 3.25Å; T32-E38 HydrophobicContact CG2-CG 4.34Å; R36-E38 HydrophobicContact CG-CG 4.11Å; R36-E38 IonicContact CZ-OE1 3.65Å; R36-E38 IonicContact NE-OE1 3.69Å; R36-E38 IonicContact NH1-OE1 3.33Å; R36-E38 PolarHBondContact NH1-OE1 3.13Å
39	W	95.4	Very high	94.6	Very high	83 Å²	83	63 Å²	63	31%	0.314	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136	175	-176	83.2	0	0	0	110.4	Y27 A41 Y51 P53	Y27-W39 AromaticContact CD1-NE1 3.47Å; W39-A41 WeakPolarHBondContact CZ2-O 3.46Å; W39-Y51 HydrophobicContact CE3-CD1 4.43Å; W39-Y51 HydrophobicContact CE3-CE1 4.36Å; W39-Y51 AromaticContact CH2-CD1 3.09Å; W39-Y51 HydrophobicContact CH2-CD1 3.09Å; W39-Y51 AromaticContact CH2-CE1 3.78Å; W39-Y51 HydrophobicContact CH2-CE1 3.78Å; W39-Y51 AromaticContact CH2-CG 3.89Å; W39-Y51 HydrophobicContact CH2-CG 3.89Å; W39-Y51 VanDerWaalsContact CH2-O 3.24Å; W39-Y51 WeakPolarHBondContact CH2-O 3.16Å; W39-Y51 AromaticContact CZ2-CD1 3.98Å; W39-Y51 HydrophobicContact CZ2-CD1 3.98Å; W39-Y51 AromaticContact CZ3-CD1 3.32Å; W39-Y51 HydrophobicContact CZ3-CD1 3.32Å; W39-Y51 AromaticContact CZ3-CE1 3.46Å; W39-Y51 HydrophobicContact CZ3-CE1 3.46Å; W39-Y51 VanDerWaalsContact CZ3-CE1 3.46Å; W39-Y51 HydrophobicContact CZ3-CG 4.35Å; W39-P53 HydrophobicContact CE3-CB 4.28Å; W39-P53 HydrophobicContact CE3-CG 3.97Å; W39-P53 HydrophobicContact CZ3-CB 4.25Å; W39-P53 HydrophobicContact CZ3-CG 3.99Å
40	V	97.4	Very high	94.6	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-46.6	-170.6	-179.8	0	0	0	0	113	W28 R30 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.03Å; W28-V40 HydrophobicContact CB-CG1 4.41Å; W28-V40 WeakPolarHBondContact O-CB 3.31Å; W28-V40 PolarHBondContact O-N 3.02Å; R30-V40 HydrophobicContact CB-CG2 3.83Å; R30-V40 HydrophobicContact CG-CG2 3.64Å; V40-P53 WeakPolarHBondContact O-CD 3.21Å; V40-V56 HydrophobicContact CG1-CG2 4.43Å; V40-V56 WeakPolarHBondContact O-CG2 3.36Å; V40-F60 HydrophobicContact CG1-CD2 3.71Å; V40-F60 HydrophobicContact CG1-CE2 4.12Å; V40-L73 HydrophobicContact CG1-CD2 4.01Å; V40-Y86 HydrophobicContact CG1-CE1 4.33Å; V40-Y86 HydrophobicContact CG2-CD1 4.42Å; V40-Y86 HydrophobicContact CG2-CE1 4.07Å
41	A	97.9	Very high	94.7	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	156	-178.5	0	0	0	0	0	111.6	Y27 W28 W39 Y51 Y52 I62 L73	Y27-A41 CarbonylContact C-O 3.44Å; Y27-A41 VanDerWaalsContact CA-O 3.24Å; Y27-A41 WeakPolarHBondContact CA-O 3.19Å; W28-A41 PolarHBondContact N-O 3.33Å; W28-A41 PolarHBondContact O-N 2.96Å; W39-A41 WeakPolarHBondContact CZ2-O 3.46Å; A41-Y51 WeakPolarHBondContact CA-O 3.47Å; A41-Y52 HydrophobicContact CB-CD1 3.74Å; A41-Y52 HydrophobicContact CB-CE1 3.77Å; A41-I62 HydrophobicContact CB-CB 3.77Å; A41-I62 HydrophobicContact CB-CD1 3.97Å; A41-I62 HydrophobicContact CB-CG1 4.42Å; A41-I62 HydrophobicContact CB-CG2 3.93Å; A41-L73 HydrophobicContact CB-CD1 4.21Å
42	Y	97.4	Very high	94.8	Very high	53 Å²	53	69.5 Å²	69.5	21%	0.208	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.6	177.4	156.5	-101.6	0	0	0	109.7	Y25 M26 Y27 T50 Y51 I62	Y25-Y42 AromaticContact CD1-CE2 3.43Å; Y25-Y42 HydrophobicContact CD1-CE2 3.43Å; Y25-Y42 VanDerWaalsContact CD1-CE2 3.43Å; Y25-Y42 AromaticContact CD1-CZ 3.6Å; Y25-Y42 WeakPolarHBondContact CD1-OH 3.49Å; Y25-Y42 HydrophobicContact CE1-CE2 4.32Å; Y25-Y42 WeakPolarHBondContact CE1-OH 3.27Å; Y25-Y42 AromaticContact CG-CE2 3.9Å; Y25-Y42 HydrophobicContact CG-CE2 3.9Å; M26-Y42 WeakPolarHBondContact O-CA 3.45Å; Y27-Y42 AromaticContact CD1-CD2 3.61Å; Y27-Y42 HydrophobicContact CD1-CD2 3.61Å; Y27-Y42 HydrophobicContact CD1-CG 4.23Å; Y27-Y42 AromaticContact CE1-CD2 3.18Å; Y27-Y42 HydrophobicContact CE1-CD2 3.18Å; Y27-Y42 AromaticContact CE1-CE2 3.81Å; Y27-Y42 HydrophobicContact CE1-CE2 3.81Å; Y27-Y42 HydrophobicContact CE1-CG 4.06Å; Y27-Y42 AromaticContact CZ-CD2 3.73Å; Y27-Y42 AromaticContact CZ-CE2 3.98Å; Y42-T50 WeakPolarHBondContact O-CA 3.25Å; Y42-T50 WeakPolarHBondContact O-CB 3.45Å; Y42-Y51 PolarHBondContact N-O 3.06Å; Y42-Y51 PolarHBondContact O-N 3.21Å; Y42-Y51 VanDerWaalsContact O-N 3.09Å; Y42-I62 WeakPolarHBondContact O-CG2 3.42Å
43	I	98	Very high	94.9	Very high	6 Å²	6	69.8 Å²	69.8	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132.1	168.7	-169.4	159.9	0	0	0	110.3	M26 S49 T50 I62 R64 L71	M26-I43 HydrophobicContact CB-CG2 3.85Å; M26-I43 PolarHBondContact N-O 2.67Å; M26-I43 PolarHBondContact O-N 3.13Å; I43-S49 WeakPolarHBondContact CA-O 3.33Å; I43-T50 HydrophobicContact CB-CG2 4.18Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.85Å; I43-I62 HydrophobicContact CB-CD1 3.96Å; I43-I62 HydrophobicContact CB-CG1 4.19Å; I43-I62 HydrophobicContact CB-CG2 4.01Å; I43-I62 HydrophobicContact CG2-CD1 3.64Å; I43-I62 HydrophobicContact CG2-CG1 3.98Å; I43-R64 HydrophobicContact CD1-CB 4.26Å; I43-R64 HydrophobicContact CD1-CG 3.74Å; I43-R64 HydrophobicContact CG1-CG 4.35Å; I43-L71 HydrophobicContact CG2-CD1 3.63Å
44	S	96.9	Very high	95.1	Very high	12 Å²	12	71.8 Å²	71.8	8%	0.084	38%	0.384	C	S	.	.			trans	-57.3	159	172.2	57.2	0	0	0	0	112.9	G46 G47 G48 S49 R64	S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 2.89Å; S44-G47 PolarHBondContact O-N 3.37Å; S44-G47 PolarHBondContact OG-N 2.92Å; S44-G48 PolarHBondContact OG-N 2.71Å; S44-G48 VanDerWaalsContact OG-N 3.17Å; S44-S49 PolarHBondContact N-O 3.14Å; S44-S49 PolarHBondContact OG-N 2.96Å; S44-S49 PolarHBondContact OG-O 2.94Å; S44-R64 WeakPolarHBondContact O-CD 3.3Å; S44-R64 PolarHBondContact O-NH1 2.89Å
45	N	93.6	Very high	95.1	Very high	66 Å²	66	69 Å²	69	35%	0.353	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-40.5	178	71.9	-36.2	0	0	0	113.6	S22 C24 R64 N66	S22-N45 WeakPolarHBondContact O-CB 3.43Å; C24-N45 WeakPolarHBondContact O-CA 3.37Å; N45-R64 PolarHBondContact O-NE 2.78Å; N45-R64 PolarHBondContact O-NH1 2.9Å; N45-R64 VanDerWaalsContact O-NH1 3.12Å; N45-R64 PolarHBondContact O-NH2 2.91Å; N45-N66 PolarHBondContact O-ND2 2.93Å
46	G	88.5	Confident	95.4	Very high	60 Å²	60	60.9 Å²	60.9	62%	0.619	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.6	174.7	0	0	0	0	0	115.3	S44 G48	S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 2.89Å; G46-G48 VanDerWaalsContact C-N 3.29Å; G46-G48 PolarHBondContact O-N 2.87Å
47	G	92.8	Very high	95.5	Very high	28 Å²	28	59.5 Å²	59.5	29%	0.289	34%	0.34	S	S	.	.	S	Bend	trans	80.8	-1.4	-177.2	0	0	0	0	0	116	S44 S49	S44-G47 PolarHBondContact O-N 3.37Å; S44-G47 PolarHBondContact OG-N 2.92Å; G47-S49 VanDerWaalsContact C-N 3.34Å; G47-S49 PolarHBondContact O-N 2.81Å
48	G	93.4	Very high	95.6	Very high	75 Å²	75	56.7 Å²	56.7	77%	0.773	34%	0.339	S	S	*	.	S	Bend	trans	-72.3	-22.4	-176.6	0	0	0	0	0	115	S44 G46	S44-G48 PolarHBondContact OG-N 2.71Å; S44-G48 VanDerWaalsContact OG-N 3.17Å; G46-G48 VanDerWaalsContact C-N 3.29Å; G46-G48 PolarHBondContact O-N 2.87Å
49	S	96.5	Very high	95.7	Very high	74 Å²	74	55.7 Å²	55.7	52%	0.517	33%	0.334	S	S	.	.			trans	-124.3	136.1	177.1	-52.2	0	0	0	0	111.3	I43 S44 G47	I43-S49 WeakPolarHBondContact CA-O 3.33Å; S44-S49 PolarHBondContact N-O 3.14Å; S44-S49 PolarHBondContact OG-N 2.96Å; S44-S49 PolarHBondContact OG-O 2.94Å; G47-S49 VanDerWaalsContact C-N 3.34Å; G47-S49 PolarHBondContact O-N 2.81Å
50	T	98	Very high	95.8	Very high	69 Å²	69	51.9 Å²	51.9	42%	0.423	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.8	173.4	58.8	0	0	0	0	110.7	Y42 I43 I62	Y42-T50 WeakPolarHBondContact O-CA 3.25Å; Y42-T50 WeakPolarHBondContact O-CB 3.45Å; I43-T50 HydrophobicContact CB-CG2 4.18Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.85Å; T50-I62 HydrophobicContact CG2-CG2 3.81Å
51	Y	97.4	Very high	95.8	Very high	146 Å²	146	55.5 Å²	55.5	57%	0.573	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.2	174.5	-177.9	-114.1	0	0	0	109.4	W39 A41 Y42	W39-Y51 HydrophobicContact CE3-CD1 4.43Å; W39-Y51 HydrophobicContact CE3-CE1 4.36Å; W39-Y51 AromaticContact CH2-CD1 3.09Å; W39-Y51 HydrophobicContact CH2-CD1 3.09Å; W39-Y51 AromaticContact CH2-CE1 3.78Å; W39-Y51 HydrophobicContact CH2-CE1 3.78Å; W39-Y51 AromaticContact CH2-CG 3.89Å; W39-Y51 HydrophobicContact CH2-CG 3.89Å; W39-Y51 VanDerWaalsContact CH2-O 3.24Å; W39-Y51 WeakPolarHBondContact CH2-O 3.16Å; W39-Y51 AromaticContact CZ2-CD1 3.98Å; W39-Y51 HydrophobicContact CZ2-CD1 3.98Å; W39-Y51 AromaticContact CZ3-CD1 3.32Å; W39-Y51 HydrophobicContact CZ3-CD1 3.32Å; W39-Y51 AromaticContact CZ3-CE1 3.46Å; W39-Y51 HydrophobicContact CZ3-CE1 3.46Å; W39-Y51 VanDerWaalsContact CZ3-CE1 3.46Å; W39-Y51 HydrophobicContact CZ3-CG 4.35Å; A41-Y51 WeakPolarHBondContact CA-O 3.47Å; Y42-Y51 PolarHBondContact N-O 3.06Å; Y42-Y51 PolarHBondContact O-N 3.21Å; Y42-Y51 VanDerWaalsContact O-N 3.09Å
52	Y	97.8	Very high	95.8	Very high	34 Å²	34	55.8 Å²	55.8	13%	0.133	34%	0.343	C	S	.	.			trans	-145.3	141	179.1	-54.6	-88.2	0	0	0	109.4	A41 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.74Å; A41-Y52 HydrophobicContact CB-CE1 3.77Å; Y52-F60 WeakPolarHBondContact CE1-O 3.47Å; Y52-T61 WeakPolarHBondContact OH-CA 3.38Å; Y52-I62 HydrophobicContact CE1-CB 4.28Å; Y52-I62 HydrophobicContact CE1-CG2 3.88Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.29Å; Y52-I62 PolarHBondContact OH-N 3.09Å
53	P	96.2	Very high	95.9	Very high	24 Å²	24	55.5 Å²	55.5	16%	0.156	35%	0.349	C	S	.	.			trans	-74.8	154.8	170.6	33.1	-29	0	0	0	110	W39 V40 T55 V56 K57	W39-P53 HydrophobicContact CE3-CB 4.28Å; W39-P53 HydrophobicContact CE3-CG 3.97Å; W39-P53 HydrophobicContact CZ3-CB 4.25Å; W39-P53 HydrophobicContact CZ3-CG 3.99Å; V40-P53 WeakPolarHBondContact O-CD 3.21Å; P53-T55 PolarHBondContact O-N 2.8Å; P53-V56 HydrophobicContact CG-CG2 3.83Å; P53-V56 PolarHBondContact O-N 2.7Å; P53-V56 VanDerWaalsContact O-N 3.09Å; P53-K57 WeakPolarHBondContact O-CB 3.33Å; P53-K57 PolarHBondContact O-N 3.44Å
54	D	95.1	Very high	95.9	Very high	137 Å²	137	56.9 Å²	56.9	73%	0.733	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.2	-176	-66.4	-35.2	0	0	0	113.5	V56	D54-V56 PolarHBondContact O-N 2.92Å
55	T	93.3	Very high	95.8	Very high	89 Å²	89	58.3 Å²	58.3	55%	0.546	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.6	177.7	54.5	0	0	0	0	113.8	P53 R59	P53-T55 PolarHBondContact O-N 2.8Å; T55-R59 PolarHBondContact O-NH2 3.14Å
56	V	95.9	Very high	95.9	Very high	1 Å²	1	58 Å²	58	1%	0.006	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-6.8	-177.7	-53.3	0	0	0	0	113.4	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG2 4.43Å; V40-V56 WeakPolarHBondContact O-CG2 3.36Å; P53-V56 HydrophobicContact CG-CG2 3.83Å; P53-V56 PolarHBondContact O-N 2.7Å; P53-V56 VanDerWaalsContact O-N 3.09Å; D54-V56 PolarHBondContact O-N 2.92Å; V56-G58 PolarHBondContact O-N 2.83Å; V56-R59 WeakPolarHBondContact O-CB 3.34Å; V56-R59 PolarHBondContact O-N 2.81Å; V56-F60 HydrophobicContact CB-CB 4.19Å; V56-F60 HydrophobicContact CB-CD1 4.43Å; V56-F60 HydrophobicContact CB-CD2 3.58Å; V56-F60 HydrophobicContact CB-CE2 3.95Å; V56-F60 HydrophobicContact CB-CG 3.83Å; V56-F60 HydrophobicContact CB-CZ 4.49Å; V56-F60 HydrophobicContact CG1-CD2 3.7Å; V56-F60 HydrophobicContact CG1-CE2 3.55Å; V56-F60 HydrophobicContact CG1-CG 4.37Å; V56-F60 HydrophobicContact CG1-CZ 4.11Å; V56-F60 HydrophobicContact CG2-CB 4.34Å; V56-F60 HydrophobicContact CG2-CD2 4.06Å; V56-F60 HydrophobicContact CG2-CG 4.4Å; V56-F60 PolarHBondContact O-N 2.66Å
57	K	95.4	Very high	96.2	Very high	132 Å²	132	59.8 Å²	59.8	57%	0.574	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	132.4	179.5	-167.2	172.5	-175.1	176.8	0	111	P53 R59	P53-K57 WeakPolarHBondContact O-CB 3.33Å; P53-K57 PolarHBondContact O-N 3.44Å; K57-R59 PolarHBondContact O-N 3.36Å
58	G	95.8	Very high	96.4	Very high	57 Å²	57	64.4 Å²	64.4	59%	0.588	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-5.6	-176.3	0	0	0	0	0	115	V56 R77	V56-G58 PolarHBondContact O-N 2.83Å; G58-R77 PolarHBondContact O-NH2 2.92Å
59	R	97	Very high	96.5	Very high	23 Å²	23	63.8 Å²	63.8	9%	0.087	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-40	174.1	-61.9	-167.3	-57.6	117.1	1.2	111.8	T55 V56 K57 S76 R77 D82	T55-R59 PolarHBondContact O-NH2 3.14Å; V56-R59 WeakPolarHBondContact O-CB 3.34Å; V56-R59 PolarHBondContact O-N 2.81Å; K57-R59 PolarHBondContact O-N 3.36Å; R59-S76 WeakPolarHBondContact CB-O 3.46Å; R59-S76 WeakPolarHBondContact O-CB 3.36Å; R59-S76 PolarHBondContact O-N 3.44Å; R59-S76 PolarHBondContact O-OG 3.25Å; R59-R77 PolarHBondContact NH1-O 3.11Å; R59-D82 IonicContact CZ-OD1 3.33Å; R59-D82 IonicContact CZ-OD2 2.96Å; R59-D82 IonicContact NH1-OD1 3.45Å; R59-D82 IonicContact NH1-OD2 2.8Å; R59-D82 PolarHBondContact NH1-OD2 3.14Å; R59-D82 IonicContact NH2-OD1 2.67Å; R59-D82 PolarHBondContact NH2-OD1 2.84Å; R59-D82 IonicContact NH2-OD2 3.33Å; R59-D82 PolarHBondContact NH2-OD2 2.91Å
60	F	97.6	Very high	96.6	Very high	3 Å²	3	60.8 Å²	60.8	1%	0.013	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.8	-177.3	-62.8	3.5	0	0	0	111	V40 Y52 V56 L73 Q74 M75 L78 D82	V40-F60 HydrophobicContact CG1-CD2 3.71Å; V40-F60 HydrophobicContact CG1-CE2 4.12Å; Y52-F60 WeakPolarHBondContact CE1-O 3.47Å; V56-F60 HydrophobicContact CB-CB 4.19Å; V56-F60 HydrophobicContact CB-CD1 4.43Å; V56-F60 HydrophobicContact CB-CD2 3.58Å; V56-F60 HydrophobicContact CB-CE2 3.95Å; V56-F60 HydrophobicContact CB-CG 3.83Å; V56-F60 HydrophobicContact CB-CZ 4.49Å; V56-F60 HydrophobicContact CG1-CD2 3.7Å; V56-F60 HydrophobicContact CG1-CE2 3.55Å; V56-F60 HydrophobicContact CG1-CG 4.37Å; V56-F60 HydrophobicContact CG1-CZ 4.11Å; V56-F60 HydrophobicContact CG2-CB 4.34Å; V56-F60 HydrophobicContact CG2-CD2 4.06Å; V56-F60 HydrophobicContact CG2-CG 4.4Å; V56-F60 PolarHBondContact O-N 2.66Å; F60-L73 HydrophobicContact CB-CD1 4.24Å; F60-L73 HydrophobicContact CD2-CD2 4.33Å; F60-Q74 CarbonylContact C-O 3.6Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.37Å; F60-M75 HydrophobicContact CD1-CB 3.78Å; F60-M75 HydrophobicContact CD1-CG 4.01Å; F60-M75 HydrophobicContact CD2-CE 4.35Å; F60-M75 HydrophobicContact CD2-CG 4.16Å; F60-M75 HydrophobicContact CE1-CB 3.75Å; F60-M75 HydrophobicContact CE1-CE 3.99Å; F60-M75 HydrophobicContact CE1-CG 4.08Å; F60-M75 HydrophobicContact CE2-CE 3.5Å; F60-M75 VanDerWaalsContact CE2-CE 3.5Å; F60-M75 HydrophobicContact CE2-CG 4.19Å; F60-M75 HydrophobicContact CG-CB 4.36Å; F60-M75 HydrophobicContact CG-CG 4.1Å; F60-M75 HydrophobicContact CZ-CB 4.26Å; F60-M75 HydrophobicContact CZ-CE 3.3Å; F60-M75 HydrophobicContact CZ-CG 4.17Å; F60-L78 HydrophobicContact CE1-CD2 4.28Å; F60-L78 HydrophobicContact CZ-CD2 4.4Å; F60-D82 HydrophobicContact CZ-CB 4.09Å
61	T	98.1	Very high	96.6	Very high	77 Å²	77	57.5 Å²	57.5	47%	0.472	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	118	178.2	-53.1	0	0	0	0	109.3	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.38Å; T61-Q74 PolarHBondContact N-O 3.46Å; T61-Q74 PolarHBondContact O-N 3.24Å
62	I	98.4	Very high	96.6	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138.9	171.3	-169.6	171.4	0	0	0	109.2	A41 Y42 I43 T50 Y52 L71 Y72 L73	A41-I62 HydrophobicContact CB-CB 3.77Å; A41-I62 HydrophobicContact CB-CD1 3.97Å; A41-I62 HydrophobicContact CB-CG1 4.42Å; A41-I62 HydrophobicContact CB-CG2 3.93Å; Y42-I62 WeakPolarHBondContact O-CG2 3.42Å; I43-I62 HydrophobicContact CB-CD1 3.96Å; I43-I62 HydrophobicContact CB-CG1 4.19Å; I43-I62 HydrophobicContact CB-CG2 4.01Å; I43-I62 HydrophobicContact CG2-CD1 3.64Å; I43-I62 HydrophobicContact CG2-CG1 3.98Å; T50-I62 HydrophobicContact CG2-CG2 3.81Å; Y52-I62 HydrophobicContact CE1-CB 4.28Å; Y52-I62 HydrophobicContact CE1-CG2 3.88Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.29Å; Y52-I62 PolarHBondContact OH-N 3.09Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.33Å; I62-L71 HydrophobicContact CD1-CG 4.44Å; I62-L71 HydrophobicContact CG1-CD1 3.96Å; I62-L71 HydrophobicContact CG1-CG 4.43Å; I62-Y72 WeakPolarHBondContact CA-O 3.45Å; I62-L73 HydrophobicContact CB-CD1 4.3Å
63	S	97.9	Very high	96.6	Very high	48 Å²	48	51 Å²	51	34%	0.336	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	163.8	171.7	62.1	0	0	0	0	110.5	L71 Y72	S63-L71 WeakPolarHBondContact O-CD1 3.27Å; S63-Y72 PolarHBondContact N-O 3.08Å; S63-Y72 PolarHBondContact O-N 3.13Å
64	R	97.6	Very high	96.7	Very high	34 Å²	34	53.3 Å²	53.3	13%	0.128	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.4	-176.6	65	-175	-68.7	153.6	3.1	110.7	F21 C24 I43 S44 N45 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.07Å; F21-R64 HydrophobicContact CZ-CB 4.08Å; F21-R64 PolarHBondContact O-NH2 3.06Å; C24-R64 PolarHBondContact O-NH1 2.98Å; C24-R64 VanDerWaalsContact O-NH1 3.08Å; I43-R64 HydrophobicContact CD1-CB 4.26Å; I43-R64 HydrophobicContact CD1-CG 3.74Å; I43-R64 HydrophobicContact CG1-CG 4.35Å; S44-R64 WeakPolarHBondContact O-CD 3.3Å; S44-R64 PolarHBondContact O-NH1 2.89Å; N45-R64 PolarHBondContact O-NE 2.78Å; N45-R64 PolarHBondContact O-NH1 2.9Å; N45-R64 VanDerWaalsContact O-NH1 3.12Å; N45-R64 PolarHBondContact O-NH2 2.91Å; R64-N66 PolarHBondContact NE-OD1 2.96Å; R64-N66 PolarHBondContact NH2-OD1 2.77Å; R64-T70 WeakPolarHBondContact CA-O 3.48Å; R64-L71 HydrophobicContact CB-CD1 4.12Å
65	D	96.7	Very high	96.8	Very high	42 Å²	42	47 Å²	47	23%	0.225	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	105.6	170.3	-175.5	-23.9	0	0	0	107.9	A67 K68 N69 T70 Y72	D65-A67 VanDerWaalsContact C-N 3.33Å; D65-A67 WeakPolarHBondContact OD1-CB 3.32Å; D65-A67 PolarHBondContact OD1-N 3.35Å; D65-K68 HydrophobicContact CB-CB 4.2Å; D65-K68 CarbonylContact O-C 3.5Å; D65-K68 PolarHBondContact O-N 3.29Å; D65-K68 PolarHBondContact OD1-N 2.95Å; D65-K68 VanDerWaalsContact OD1-N 3.14Å; D65-K68 WeakPolarHBondContact OD2-CD 3.4Å; D65-K68 VanDerWaalsContact OD2-CE 3.28Å; D65-K68 WeakPolarHBondContact OD2-CE 3.45Å; D65-K68 WeakPolarHBondContact OD2-CG 3.11Å; D65-K68 IonicContact OD2-NZ 3.27Å; D65-K68 PolarHBondContact OD2-NZ 3.17Å; D65-N69 PolarHBondContact O-N 3.43Å; D65-T70 PolarHBondContact N-O 3.26Å; D65-T70 PolarHBondContact O-N 2.88Å; D65-T70 VanDerWaalsContact O-N 3.08Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å
66	N	95.4	Very high	96.9	Very high	61 Å²	61	44.3 Å²	44.3	33%	0.326	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.3	-177.6	-75.5	-11.5	0	0	0	112.6	F21 N45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.41Å; F21-N66 VanDerWaalsContact CE1-OD1 3.27Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.39Å; N45-N66 PolarHBondContact O-ND2 2.93Å; R64-N66 PolarHBondContact NE-OD1 2.96Å; R64-N66 PolarHBondContact NH2-OD1 2.77Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-N69 PolarHBondContact O-OD1 2.78Å
67	A	94.8	Very high	96.9	Very high	97 Å²	97	51.6 Å²	51.6	80%	0.802	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-28.6	176.7	0	0	0	0	0	111.3	D65	D65-A67 VanDerWaalsContact C-N 3.33Å; D65-A67 WeakPolarHBondContact OD1-CB 3.32Å; D65-A67 PolarHBondContact OD1-N 3.35Å
68	K	96.1	Very high	96.9	Very high	125 Å²	125	46.1 Å²	46.1	54%	0.543	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	4.1	179.5	-60.5	-176.8	-168.3	150.3	0	114.5	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.2Å; D65-K68 CarbonylContact O-C 3.5Å; D65-K68 PolarHBondContact O-N 3.29Å; D65-K68 PolarHBondContact OD1-N 2.95Å; D65-K68 VanDerWaalsContact OD1-N 3.14Å; D65-K68 WeakPolarHBondContact OD2-CD 3.4Å; D65-K68 VanDerWaalsContact OD2-CE 3.28Å; D65-K68 WeakPolarHBondContact OD2-CE 3.45Å; D65-K68 WeakPolarHBondContact OD2-CG 3.11Å; D65-K68 IonicContact OD2-NZ 3.27Å; D65-K68 PolarHBondContact OD2-NZ 3.17Å; N66-K68 VanDerWaalsContact C-N 3.28Å; K68-T70 PolarHBondContact O-N 2.88Å; K68-T70 PolarHBondContact O-OG1 2.74Å
69	N	96.4	Very high	96.8	Very high	62 Å²	62	48.3 Å²	48.3	33%	0.332	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	37.4	-175.1	-59.7	-36.3	0	0	0	113.5	T16 F21 D65 N66	T16-N69 PolarHBondContact N-O 3.02Å; T16-N69 WeakPolarHBondContact O-CB 3.48Å; T16-N69 PolarHBondContact OG1-O 2.82Å; F21-N69 HydrophobicContact CB-CB 4.02Å; F21-N69 WeakPolarHBondContact CB-OD1 3.23Å; F21-N69 HydrophobicContact CG-CB 4.22Å; D65-N69 PolarHBondContact O-N 3.43Å; N66-N69 PolarHBondContact O-OD1 2.78Å
70	T	97.6	Very high	96.4	Very high	10 Å²	10	51.5 Å²	51.5	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.1	-170.2	-59.2	0	0	0	0	111.3	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.47Å; C14-T70 WeakPolarHBondContact O-CA 3.33Å; R64-T70 WeakPolarHBondContact CA-O 3.48Å; D65-T70 PolarHBondContact N-O 3.26Å; D65-T70 PolarHBondContact O-N 2.88Å; D65-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-N 2.88Å; K68-T70 PolarHBondContact O-OG1 2.74Å; T70-Y72 HydrophobicContact CG2-CD1 4.09Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.44Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.44Å; T70-Y72 HydrophobicContact CG2-CE2 3.88Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.04Å
71	L	98.1	Very high	96.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.6	171.7	-169.1	71.3	0	0	0	110.2	S13 C14 F21 M26 W28 I43 I62 S63 R64 C88	S13-L71 CarbonylContact C-O 3.5Å; S13-L71 WeakPolarHBondContact CA-O 3.02Å; C14-L71 HydrophobicContact CB-CB 4.46Å; C14-L71 PolarHBondContact N-O 2.79Å; C14-L71 PolarHBondContact O-N 2.81Å; F21-L71 HydrophobicContact CE2-CB 4.41Å; F21-L71 HydrophobicContact CZ-CB 4.31Å; M26-L71 HydrophobicContact CB-CD1 3.69Å; M26-L71 HydrophobicContact CB-CD2 4Å; M26-L71 HydrophobicContact CB-CG 4.43Å; M26-L71 HydrophobicContact CG-CD1 4.39Å; W28-L71 HydrophobicContact CD2-CD2 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.33Å; W28-L71 HydrophobicContact CZ2-CD2 4.46Å; W28-L71 VanDerWaalsContact NE1-CD2 3.31Å; I43-L71 HydrophobicContact CG2-CD1 3.63Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.33Å; I62-L71 HydrophobicContact CD1-CG 4.44Å; I62-L71 HydrophobicContact CG1-CD1 3.96Å; I62-L71 HydrophobicContact CG1-CG 4.43Å; S63-L71 WeakPolarHBondContact O-CD1 3.27Å; R64-L71 HydrophobicContact CB-CD1 4.12Å; L71-C88 HydrophobicContact CD2-CB 4.09Å
72	Y	98.1	Very high	95.9	Very high	43 Å²	43	55.1 Å²	55.1	17%	0.169	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.4	178	-56.1	-75.3	0	0	0	111.5	L12 W28 I62 S63 D65 T70	L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.5Å; W28-Y72 PolarHBondContact NE1-O 3.18Å; I62-Y72 WeakPolarHBondContact CA-O 3.45Å; S63-Y72 PolarHBondContact N-O 3.08Å; S63-Y72 PolarHBondContact O-N 3.13Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å; T70-Y72 HydrophobicContact CG2-CD1 4.09Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.44Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.44Å; T70-Y72 HydrophobicContact CG2-CE2 3.88Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.04Å
73	L	98.2	Very high	95.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	108.6	167	-170.7	67	0	0	0	108.6	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.25Å; L12-L73 HydrophobicContact CB-CB 4.24Å; L12-L73 HydrophobicContact CD1-CD2 4.36Å; L12-L73 PolarHBondContact N-O 3.12Å; L12-L73 PolarHBondContact O-N 2.83Å; W28-L73 HydrophobicContact CB-CD2 4.25Å; W28-L73 HydrophobicContact CD2-CB 4.1Å; W28-L73 HydrophobicContact CD2-CD2 4.24Å; W28-L73 HydrophobicContact CG-CB 4.15Å; W28-L73 HydrophobicContact CG-CD1 4.34Å; W28-L73 HydrophobicContact CG-CD2 4.02Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.25Å; V40-L73 HydrophobicContact CG1-CD2 4.01Å; A41-L73 HydrophobicContact CB-CD1 4.21Å; F60-L73 HydrophobicContact CB-CD1 4.24Å; F60-L73 HydrophobicContact CD2-CD2 4.33Å; I62-L73 HydrophobicContact CB-CD1 4.3Å; L73-M75 HydrophobicContact CD2-CG 3.89Å; L73-M75 HydrophobicContact CD2-SD 4.08Å; L73-M75 HydrophobicContact CG-CG 3.87Å; L73-Y86 HydrophobicContact CD2-CD1 4.1Å; L73-Y86 HydrophobicContact CD2-CE1 4.21Å
74	Q	97.7	Very high	95.5	Very high	73 Å²	73	58.7 Å²	58.7	34%	0.341	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119.7	168.2	-175.7	65.6	38.9	0	0	108.2	F60 T61	F60-Q74 CarbonylContact C-O 3.6Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.37Å; T61-Q74 PolarHBondContact N-O 3.46Å; T61-Q74 PolarHBondContact O-N 3.24Å
75	M	96.8	Very high	95.4	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.02	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.6	178.2	-56.3	168.3	75.5	0	0	108	S9 L10 L12 F60 L73 L78 D82 Y86	S9-M75 CarbonylContact C-O 3.56Å; S9-M75 WeakPolarHBondContact CA-O 3.33Å; S9-M75 VanDerWaalsContact CB-O 3.32Å; S9-M75 WeakPolarHBondContact CB-O 3.33Å; L10-M75 PolarHBondContact N-O 3.25Å; L10-M75 PolarHBondContact O-N 2.02Å; L12-M75 HydrophobicContact CD1-SD 3.89Å; L12-M75 HydrophobicContact CG-SD 4.1Å; F60-M75 HydrophobicContact CD1-CB 3.78Å; F60-M75 HydrophobicContact CD1-CG 4.01Å; F60-M75 HydrophobicContact CD2-CE 4.35Å; F60-M75 HydrophobicContact CD2-CG 4.16Å; F60-M75 HydrophobicContact CE1-CB 3.75Å; F60-M75 HydrophobicContact CE1-CE 3.99Å; F60-M75 HydrophobicContact CE1-CG 4.08Å; F60-M75 HydrophobicContact CE2-CE 3.5Å; F60-M75 VanDerWaalsContact CE2-CE 3.5Å; F60-M75 HydrophobicContact CE2-CG 4.19Å; F60-M75 HydrophobicContact CG-CB 4.36Å; F60-M75 HydrophobicContact CG-CG 4.1Å; F60-M75 HydrophobicContact CZ-CB 4.26Å; F60-M75 HydrophobicContact CZ-CE 3.3Å; F60-M75 HydrophobicContact CZ-CG 4.17Å; L73-M75 HydrophobicContact CD2-CG 3.89Å; L73-M75 HydrophobicContact CD2-SD 4.08Å; L73-M75 HydrophobicContact CG-CG 3.87Å; M75-L78 HydrophobicContact CB-CD2 3.75Å; M75-L78 HydrophobicContact CB-CG 4.46Å; M75-L78 HydrophobicContact CE-CD2 3.52Å; M75-L78 HydrophobicContact SD-CD2 4.32Å; M75-D82 HydrophobicContact CE-CB 4.43Å; M75-Y86 HydrophobicContact CE-CE1 3.84Å; M75-Y86 HydrophobicContact CE-CE2 4.01Å; M75-Y86 VanDerWaalsContact CE-CZ 3.44Å; M75-Y86 VanDerWaalsContact CE-OH 3.27Å; M75-Y86 WeakPolarHBondContact CE-OH 3.36Å; M75-Y86 HydrophobicContact SD-CE1 4.46Å
76	S	95.9	Very high	95.4	Very high	34 Å²	34	62.1 Å²	62.1	24%	0.238	33%	0.326	C	S	.	.			trans	-116.7	156.5	175.1	70.4	0	0	0	0	110.6	R59 L78	R59-S76 WeakPolarHBondContact CB-O 3.46Å; R59-S76 WeakPolarHBondContact O-CB 3.36Å; R59-S76 PolarHBondContact O-N 3.44Å; R59-S76 PolarHBondContact O-OG 3.25Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 3.43Å
77	R	94.8	Very high	95.5	Very high	153 Å²	153	64.4 Å²	64.4	58%	0.577	33%	0.331	S	S	*	.	S	Bend	trans	51.6	53.1	178.7	-60.1	178.5	-75.8	-169.9	-2.8	110.8	G8 G58 R59	G8-R77 PolarHBondContact O-N 2.75Å; G8-R77 VanDerWaalsContact O-N 3.14Å; G58-R77 PolarHBondContact O-NH2 2.92Å; R59-R77 PolarHBondContact NH1-O 3.11Å
78	L	95.1	Very high	95.5	Very high	18 Å²	18	62 Å²	62	9%	0.094	31%	0.308	C	S	.	.			trans	-58	136.9	-179.9	-74.3	171.3	0	0	0	110.7	G7 G8 L10 F60 M75 S76 D82	G7-L78 PolarHBondContact N-O 2.98Å; G8-L78 PolarHBondContact O-N 2.78Å; G8-L78 VanDerWaalsContact O-N 3.11Å; L10-L78 HydrophobicContact CB-CD1 3.96Å; F60-L78 HydrophobicContact CE1-CD2 4.28Å; F60-L78 HydrophobicContact CZ-CD2 4.4Å; M75-L78 HydrophobicContact CB-CD2 3.75Å; M75-L78 HydrophobicContact CB-CG 4.46Å; M75-L78 HydrophobicContact CE-CD2 3.52Å; M75-L78 HydrophobicContact SD-CD2 4.32Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 3.43Å; L78-D82 HydrophobicContact CD2-CB 4.23Å
79	K	93.7	Very high	95.5	Very high	102 Å²	102	57.9 Å²	57.9	44%	0.443	30%	0.297	S	S	.	.			trans	-109.8	159.6	173.4	-60.7	178.6	179.7	-175.9	0	109.3	E81 D82	K79-E81 PolarHBondContact O-N 3.02Å; K79-D82 PolarHBondContact N-OD2 3.02Å; K79-D82 WeakPolarHBondContact O-CB 3.36Å; K79-D82 PolarHBondContact O-N 3.32Å
80	S	90.5	Very high	95.4	Very high	91 Å²	91	60.9 Å²	60.9	64%	0.636	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-56.8	-35	174.5	-53.4	0	0	0	0	112.1	D82 T83	S80-D82 PolarHBondContact O-N 3.01Å; S80-T83 VanDerWaalsContact O-CB 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.47Å; S80-T83 PolarHBondContact O-N 2.81Å; S80-T83 VanDerWaalsContact O-N 3.13Å; S80-T83 PolarHBondContact O-OG1 3.19Å
81	E	90.9	Very high	95	Very high	149 Å²	149	65.5 Å²	65.5	70%	0.696	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.7	174.9	-64.1	164.3	-158.7	0	0	114.1	K79 T83	K79-E81 PolarHBondContact O-N 3.02Å; E81-T83 PolarHBondContact O-N 3.08Å
82	D	93.4	Very high	93.9	Very high	7 Å²	7	71 Å²	71	4%	0.037	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-83.6	-3.2	177.4	-58.7	-49.7	0	0	0	112.8	R30 R59 F60 M75 L78 K79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 2.99Å; R30-D82 PolarHBondContact NH1-OD1 3.03Å; R30-D82 VanDerWaalsContact NH1-OD1 3.08Å; R59-D82 IonicContact CZ-OD1 3.33Å; R59-D82 IonicContact CZ-OD2 2.96Å; R59-D82 IonicContact NH1-OD1 3.45Å; R59-D82 IonicContact NH1-OD2 2.8Å; R59-D82 PolarHBondContact NH1-OD2 3.14Å; R59-D82 IonicContact NH2-OD1 2.67Å; R59-D82 PolarHBondContact NH2-OD1 2.84Å; R59-D82 IonicContact NH2-OD2 3.33Å; R59-D82 PolarHBondContact NH2-OD2 2.91Å; F60-D82 HydrophobicContact CZ-CB 4.09Å; M75-D82 HydrophobicContact CE-CB 4.43Å; L78-D82 HydrophobicContact CD2-CB 4.23Å; K79-D82 PolarHBondContact N-OD2 3.02Å; K79-D82 WeakPolarHBondContact O-CB 3.36Å; K79-D82 PolarHBondContact O-N 3.32Å; S80-D82 PolarHBondContact O-N 3.01Å; D82-A84 PolarHBondContact O-N 2.87Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.5Å; D82-Y86 PolarHBondContact O-OH 3.08Å
83	T	93.2	Very high	93.7	Very high	99 Å²	99	72.5 Å²	72.5	61%	0.607	37%	0.37	S	S	*	.			trans	-67.3	107.2	175.4	-54.1	0	0	0	0	110	S80 E81	S80-T83 VanDerWaalsContact O-CB 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.47Å; S80-T83 PolarHBondContact O-N 2.81Å; S80-T83 VanDerWaalsContact O-N 3.13Å; S80-T83 PolarHBondContact O-OG1 3.19Å; E81-T83 PolarHBondContact O-N 3.08Å
84	A	94.9	Very high	93.4	Very high	28 Å²	28	76.3 Å²	76.3	23%	0.231	39%	0.39	C	S	.	.	S	Bend	trans	-160.2	167.5	-177	0	0	0	0	0	109.9	R30 Q31 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.82Å; R30-A84 HydrophobicContact CG-CB 4.09Å; Q31-A84 WeakPolarHBondContact O-CA 3.04Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; D82-A84 PolarHBondContact O-N 2.87Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.89Å; A84-Y86 VanDerWaalsContact O-CD2 3.29Å; A84-Y86 WeakPolarHBondContact O-CD2 3.34Å
85	M	95.7	Very high	93.2	Very high	114 Å²	114	76.4 Å²	76.4	56%	0.562	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.2	165	-168.5	60.9	68.1	0	0	109.2	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.58Å; R30-M85 WeakPolarHBondContact CA-O 3.48Å; Q31-M85 PolarHBondContact N-O 3.09Å; Q31-M85 PolarHBondContact O-N 3.08Å; M85-Y87 HydrophobicContact CB-CE2 3.85Å; M85-Y87 HydrophobicContact CG-CD2 4.46Å; M85-Y87 HydrophobicContact CG-CE1 3.92Å; M85-Y87 HydrophobicContact CG-CE2 3.61Å; M85-Y87 WeakPolarHBondContact CG-OH 3.28Å
86	Y	96.8	Very high	93	Very high	35 Å²	35	80.7 Å²	80.7	14%	0.137	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.7	-178.2	-73	-102.2	0	0	0	110.8	L12 R30 V40 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.03Å; L12-Y86 HydrophobicContact CD1-CD2 4.16Å; L12-Y86 HydrophobicContact CD1-CG 3.66Å; R30-Y86 HydrophobicContact CB-CD1 3.82Å; R30-Y86 HydrophobicContact CB-CD2 4.42Å; R30-Y86 HydrophobicContact CB-CE1 3.75Å; R30-Y86 HydrophobicContact CB-CE2 4.35Å; R30-Y86 HydrophobicContact CB-CG 4.15Å; R30-Y86 WeakPolarHBondContact CD-OH 3Å; R30-Y86 HydrophobicContact CG-CE1 4.41Å; R30-Y86 PolarHBondContact NH1-OH 2.98Å; V40-Y86 HydrophobicContact CG1-CE1 4.33Å; V40-Y86 HydrophobicContact CG2-CD1 4.42Å; V40-Y86 HydrophobicContact CG2-CE1 4.07Å; L73-Y86 HydrophobicContact CD2-CD1 4.1Å; L73-Y86 HydrophobicContact CD2-CE1 4.21Å; M75-Y86 HydrophobicContact CE-CE1 3.84Å; M75-Y86 HydrophobicContact CE-CE2 4.01Å; M75-Y86 VanDerWaalsContact CE-CZ 3.44Å; M75-Y86 VanDerWaalsContact CE-OH 3.27Å; M75-Y86 WeakPolarHBondContact CE-OH 3.36Å; M75-Y86 HydrophobicContact SD-CE1 4.46Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.5Å; D82-Y86 PolarHBondContact O-OH 3.08Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.89Å; A84-Y86 VanDerWaalsContact O-CD2 3.29Å; A84-Y86 WeakPolarHBondContact O-CD2 3.34Å
87	Y	96.4	Very high	92.8	Very high	108 Å²	108	83.6 Å²	83.6	42%	0.424	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.4	-179.2	-55.7	-84	0	0	0	109.7	W28 V29 Q31 M85	W28-Y87 WeakPolarHBondContact CA-O 3.43Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 3.04Å; Q31-Y87 HydrophobicContact CB-CE2 3.84Å; M85-Y87 HydrophobicContact CB-CE2 3.85Å; M85-Y87 HydrophobicContact CG-CD2 4.46Å; M85-Y87 HydrophobicContact CG-CE1 3.92Å; M85-Y87 HydrophobicContact CG-CE2 3.61Å; M85-Y87 WeakPolarHBondContact CG-OH 3.28Å
88	C	95.8	Very high	92.7	Very high	46 Å²	46	79 Å²	79	31%	0.311	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.9	162.5	49.1	0	0	0	0	109.2	C14 Y27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.02Å; Y27-C88 WeakPolarHBondContact O-CA 3.16Å; W28-C88 HydrophobicContact CZ3-CB 4.48Å; L71-C88 HydrophobicContact CD2-CB 4.09Å
89	A	95.8	Very high	92.5	Very high	39 Å²	39	83.4 Å²	83.4	32%	0.322	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	156.2	174.8	0	0	0	0	0	109.6	Y27 V29	Y27-A89 PolarHBondContact N-O 2.79Å; Y27-A89 PolarHBondContact O-N 3.38Å; V29-A89 HydrophobicContact CG2-CB 4.36Å
90	R	94.2	Very high	92.4	Very high	125 Å²	125	81.9 Å²	81.9	47%	0.472	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.6	173.8	75.3	-178	-179.1	88.6	1.3	110.2	C24 Y25 M26	C24-R90 HydrophobicContact CB-CB 4.29Å; Y25-R90 WeakPolarHBondContact O-CA 3.26Å; M26-R90 HydrophobicContact CE-CB 4.09Å; M26-R90 HydrophobicContact SD-CB 3.62Å
91	H	89.3	Confident	92.6	Very high	108 Å²	108	81.2 Å²	81.2	50%	0.5	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.6	163.1	-171.4	-70.6	0	0	0	106.6	Y25 Y27	Y25-H91 PolarHBondContact N-O 3.14Å; Y25-H91 VanDerWaalsContact N-O 3.13Å; Y25-H91 PolarHBondContact O-N 3.27Å; Y27-H91 HydrophobicContact CE2-CB 3.38Å; Y27-H91 VanDerWaalsContact OH-CB 3.23Å; Y27-H91 WeakPolarHBondContact OH-CB 3.23Å
92	P	74.8	Confident	92.7	Very high	116 Å²	116	75 Å²	75	75%	0.753	40%	0.396	S	S	*	.			trans	-53	0	173.7	-21.6	32	0	0	0	112.5

Retrieved 92 of 92 residues in 19.7 ms (Link to these results)

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