X5J4J8_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4J8, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 100 aa.

						>X5J4J8_MOUSE|X5J4J8|Ighv7-3
GGLVQPGGFLRLSCATSGFTFIDYYMSWVRQPPGKALEWLGFIRNKANGYTTEYSASVKGRFTISRDNSQSILYLQMNTLRAEDSATYYCASLWYYAMDY
					

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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	53.1	Low	77.5	Confident	116 Å²	116	93 Å²	93	100%	1.196	59%	0.585	S	S	*	*				0	142.8	0	0	0	0	0	0	108.7
2	G	65.4	Low	79	Confident	53 Å²	53	87.2 Å²	87.2	55%	0.546	55%	0.546	S	S	.	.			trans	-90.1	157.1	178.7	0	0	0	0	0	112.3
3	L	69.8	Low	80.4	Confident	186 Å²	186	87 Å²	87	97%	0.974	55%	0.55	S	S	*	.			trans	-77.4	124	173.5	-153.7	139.8	0	0	0	108.4
4	V	75.4	Confident	81.5	Confident	57 Å²	57	82.9 Å²	82.9	35%	0.345	53%	0.525	S	S	.	.			trans	-127.2	142.7	-174.6	-173.5	0	0	0	0	109.7	L10 L80	V4-L10 HydrophobicContact CG2-CB 4.21Å; V4-L10 HydrophobicContact CG2-CD1 3.93Å; V4-L10 HydrophobicContact CG2-CD2 4.29Å; V4-L10 HydrophobicContact CG2-CG 4.37Å; V4-L80 HydrophobicContact CB-CD1 4.01Å; V4-L80 HydrophobicContact CG1-CD1 3.87Å
5	Q	75.1	Confident	82.4	Confident	162 Å²	162	82.7 Å²	82.7	76%	0.757	53%	0.534	S	S	*	.			trans	-69.6	150.2	177.5	-66.2	-175.9	6.6	0	0	111.8	G8	Q5-G8 PolarHBondContact O-N 3.24Å; Q5-G8 VanDerWaalsContact O-N 3.09Å
6	P	75.3	Confident	82.8	Confident	100 Å²	100	79.3 Å²	79.3	65%	0.649	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	145.4	169.9	-24.1	34.1	0	0	0	112.1	G8	P6-G8 PolarHBondContact O-N 3.23Å
7	G	76.9	Confident	83.2	Confident	58 Å²	58	81 Å²	81	60%	0.598	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-11.3	-173.1	0	0	0	0	0	114.2	L80	G7-L80 PolarHBondContact N-O 3.32Å
8	G	84.7	Confident	83.3	Confident	23 Å²	23	81.4 Å²	81.4	24%	0.237	55%	0.548	C	S	.	.			trans	-73.1	177.6	178.2	0	0	0	0	0	114.5	Q5 P6 T79 L80	Q5-G8 PolarHBondContact O-N 3.24Å; Q5-G8 VanDerWaalsContact O-N 3.09Å; P6-G8 PolarHBondContact O-N 3.23Å; G8-T79 PolarHBondContact O-N 3.03Å; G8-L80 PolarHBondContact O-N 3.39Å
9	F	88.4	Confident	83.4	Confident	102 Å²	102	80.1 Å²	80.1	45%	0.447	53%	0.532	S	S	.	.			trans	-115	138.4	173.3	157.4	-106.5	0	0	0	109.7	R11 Q76 M77 N78	F9-R11 HydrophobicContact CE2-CB 4.24Å; F9-R11 HydrophobicContact CZ-CB 3.79Å; F9-Q76 HydrophobicContact CD2-CG 4.14Å; F9-Q76 HydrophobicContact CE2-CB 4Å; F9-Q76 HydrophobicContact CE2-CG 3.46Å; F9-Q76 VanDerWaalsContact CE2-CG 3.46Å; F9-Q76 HydrophobicContact CZ-CG 4.38Å; F9-M77 VanDerWaalsContact CA-O 3.31Å; F9-M77 WeakPolarHBondContact CA-O 3.25Å; F9-M77 WeakPolarHBondContact CD2-O 3.21Å; F9-N78 WeakPolarHBondContact CD2-OD1 3.31Å
10	L	92.7	Very high	83.7	Confident	38 Å²	38	80.3 Å²	80.3	20%	0.199	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.2	171.9	179.7	62.4	0	0	0	109.3	V4 L12 M77 L80	V4-L10 HydrophobicContact CG2-CB 4.21Å; V4-L10 HydrophobicContact CG2-CD1 3.93Å; V4-L10 HydrophobicContact CG2-CD2 4.29Å; V4-L10 HydrophobicContact CG2-CG 4.37Å; L10-L12 HydrophobicContact CD2-CD2 3.7Å; L10-L12 HydrophobicContact CD2-CG 4.4Å; L10-L12 HydrophobicContact CG-CD2 3.97Å; L10-L12 HydrophobicContact CG-CG 4.5Å; L10-M77 HydrophobicContact CD2-SD 4.36Å; L10-M77 PolarHBondContact N-O 3.32Å; L10-M77 WeakPolarHBondContact O-CB 3.23Å; L10-M77 PolarHBondContact O-N 3Å; L10-L80 HydrophobicContact CB-CD1 3.84Å
11	R	95.3	Very high	84	Confident	128 Å²	128	76.7 Å²	76.7	48%	0.483	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.7	168.3	-171.5	174.2	177.9	179.5	-1	109.7	F9 Y74 L75	F9-R11 HydrophobicContact CE2-CB 4.24Å; F9-R11 HydrophobicContact CZ-CB 3.79Å; R11-Y74 HydrophobicContact CG-CD1 4.43Å; R11-Y74 VanDerWaalsContact NE-CD1 3.33Å; R11-Y74 VanDerWaalsContact NH2-CG 3.28Å; R11-L75 CarbonylContact C-O 3.58Å; R11-L75 WeakPolarHBondContact CA-O 3.36Å
12	L	96.4	Very high	85.8	Confident	23 Å²	23	74.6 Å²	74.6	12%	0.12	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	147.8	169.5	-55.5	-178.7	0	0	0	109.6	L10 W28 Y74 L75 M77 Y88	L10-L12 HydrophobicContact CD2-CD2 3.7Å; L10-L12 HydrophobicContact CD2-CG 4.4Å; L10-L12 HydrophobicContact CG-CD2 3.97Å; L10-L12 HydrophobicContact CG-CG 4.5Å; L12-W28 HydrophobicContact CB-CH2 3.75Å; L12-W28 HydrophobicContact CB-CZ2 4.32Å; L12-W28 HydrophobicContact CB-CZ3 4.25Å; L12-W28 HydrophobicContact CD1-CZ3 4.22Å; L12-Y74 VanDerWaalsContact O-CA 3.26Å; L12-Y74 WeakPolarHBondContact O-CA 3.33Å; L12-L75 HydrophobicContact CB-CB 4.26Å; L12-L75 HydrophobicContact CD1-CD2 4.35Å; L12-L75 PolarHBondContact N-O 3.04Å; L12-L75 PolarHBondContact O-N 2.89Å; L12-M77 HydrophobicContact CD1-SD 3.81Å; L12-M77 HydrophobicContact CG-SD 3.99Å; L12-Y88 HydrophobicContact CD1-CD1 3.8Å; L12-Y88 HydrophobicContact CD1-CD2 4.04Å; L12-Y88 HydrophobicContact CD1-CG 3.54Å
13	S	97.1	Very high	87	Confident	85 Å²	85	76.3 Å²	76.3	59%	0.594	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.4	169.8	56.5	0	0	0	0	109.6	L73	S13-L73 CarbonylContact C-O 3.58Å; S13-L73 WeakPolarHBondContact CA-O 3.34Å
14	C	95.6	Very high	88	Confident	30 Å²	30	69.3 Å²	69.3	20%	0.203	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	105.7	175.1	-160.4	0	0	0	0	108.5	W28 I72 L73 C90	C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 4.13Å; C14-I72 WeakPolarHBondContact O-CA 3.42Å; C14-L73 HydrophobicContact CB-CB 4.35Å; C14-L73 PolarHBondContact N-O 2.81Å; C14-L73 PolarHBondContact O-N 3.03Å; C14-C90 HydrophobicContact CB-CB 3.45Å; C14-C90 VanDerWaalsContact CB-CB 3.45Å; C14-C90 WeakPolarHBondContact CB-SG 3.49Å; C14-C90 WeakPolarHBondContact SG-CB 3.47Å; C14-C90 CovalentContact SG-SG 2.02Å; C14-C90 PolarHBondContact SG-SG 3.04Å
15	A	94.6	Very high	88.8	Confident	80 Å²	80	67.2 Å²	67.2	66%	0.661	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	135.2	171.4	0	0	0	0	0	109	I72	A15-I72 HydrophobicContact CB-CG1 4.24Å
16	T	89.3	Confident	89.8	Confident	28 Å²	28	59.5 Å²	59.5	17%	0.172	38%	0.375	C	S	.	.			trans	-122.3	151.7	-176.8	60.1	0	0	0	0	110.9	F19 F21 M26 S71	T16-F19 HydrophobicContact CG2-CE1 4.36Å; T16-F19 HydrophobicContact CG2-CZ 4.12Å; T16-F21 HydrophobicContact CG2-CE2 4.44Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.35Å; T16-M26 HydrophobicContact CG2-CE 4.04Å; T16-S71 PolarHBondContact N-O 2.83Å; T16-S71 PolarHBondContact OG1-O 2.77Å
17	S	88.5	Confident	90.7	Very high	108 Å²	108	54.8 Å²	54.8	76%	0.755	34%	0.344	S	S	*	.			trans	-148.5	165.3	178.2	61.4	0	0	0	0	109.8
18	G	86.2	Confident	91.7	Very high	89 Å²	89	52.2 Å²	52.2	92%	0.918	32%	0.316	S	S	*	.	S	Bend	trans	86.8	3.2	177	0	0	0	0	0	115.7
19	F	85.6	Confident	92.3	Very high	56 Å²	56	52.2 Å²	52.2	25%	0.246	31%	0.312	C	S	.	.	S	Bend	trans	-152.8	163.7	172.3	64.3	-83.3	0	0	0	111.3	T16 F21 Y24 M26	T16-F19 HydrophobicContact CG2-CE1 4.36Å; T16-F19 HydrophobicContact CG2-CZ 4.12Å; F19-F21 HydrophobicContact CE2-CB 4.31Å; F19-F21 HydrophobicContact CE2-CD2 4.09Å; F19-F21 HydrophobicContact CZ-CD2 4.18Å; F19-F21 PolarHBondContact O-N 3.3Å; F19-Y24 HydrophobicContact CB-CE2 4.1Å; F19-Y24 HydrophobicContact CD2-CD1 4.31Å; F19-Y24 AromaticContact CD2-CD2 3.55Å; F19-Y24 HydrophobicContact CD2-CD2 3.55Å; F19-Y24 HydrophobicContact CD2-CE1 4.47Å; F19-Y24 AromaticContact CD2-CE2 3.81Å; F19-Y24 HydrophobicContact CD2-CE2 3.81Å; F19-Y24 AromaticContact CD2-CG 3.82Å; F19-Y24 HydrophobicContact CD2-CG 3.82Å; F19-Y24 HydrophobicContact CE2-CD2 4.17Å; F19-Y24 HydrophobicContact CE2-CG 4.09Å; F19-Y24 HydrophobicContact CG-CE2 4.41Å; F19-M26 HydrophobicContact CE2-CE 4.48Å; F19-M26 HydrophobicContact CE2-SD 3.84Å; F19-M26 HydrophobicContact CZ-CE 3.96Å; F19-M26 HydrophobicContact CZ-SD 3.93Å
20	T	89.2	Confident	92.6	Very high	83 Å²	83	48.1 Å²	48.1	51%	0.509	29%	0.293	S	S	.	.			trans	-76.8	84.6	178.7	-40.1	0	0	0	0	110.8	I22 D23 Y24	T20-I22 HydrophobicContact CG2-CG2 3.84Å; T20-I22 PolarHBondContact O-N 3.1Å; T20-D23 WeakPolarHBondContact CB-OD2 3.49Å; T20-D23 VanDerWaalsContact CG2-OD2 3.3Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.22Å; T20-D23 PolarHBondContact O-N 2.73Å; T20-Y24 VanDerWaalsContact O-CD2 3.22Å; T20-Y24 WeakPolarHBondContact O-CD2 3.43Å
21	F	89	Confident	92.8	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.022	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-44.4	-39.8	-173.1	-177.7	-101.6	0	0	0	114.8	T16 F19 D23 Y24 M26 R66 N68 L73	T16-F21 HydrophobicContact CG2-CE2 4.44Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.35Å; F19-F21 HydrophobicContact CE2-CB 4.31Å; F19-F21 HydrophobicContact CE2-CD2 4.09Å; F19-F21 HydrophobicContact CZ-CD2 4.18Å; F19-F21 PolarHBondContact O-N 3.3Å; F21-D23 PolarHBondContact O-N 2.79Å; F21-Y24 PolarHBondContact O-N 2.9Å; F21-M26 HydrophobicContact CD2-CE 4.28Å; F21-M26 HydrophobicContact CD2-CG 4.14Å; F21-M26 HydrophobicContact CD2-SD 3.92Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.83Å; F21-M26 HydrophobicContact CZ-CG 4.02Å; F21-R66 HydrophobicContact CE1-CB 4.09Å; F21-R66 HydrophobicContact CZ-CB 4.07Å; F21-R66 PolarHBondContact O-NH2 2.8Å; F21-N68 WeakPolarHBondContact CD1-OD1 3Å; F21-N68 VanDerWaalsContact CE1-OD1 3.24Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.25Å; F21-L73 HydrophobicContact CZ-CB 4.42Å
22	I	91.8	Very high	92.8	Very high	72 Å²	72	44.6 Å²	44.6	37%	0.369	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29.9	-178.7	-164.5	169.3	0	0	0	113.7	T20 N45	T20-I22 HydrophobicContact CG2-CG2 3.84Å; T20-I22 PolarHBondContact O-N 3.1Å; I22-N45 VanDerWaalsContact O-CB 3.23Å; I22-N45 WeakPolarHBondContact O-CB 3.21Å
23	D	90.1	Very high	92.8	Very high	89 Å²	89	48.7 Å²	48.7	48%	0.476	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-86.5	-18.7	-172.8	-62.4	-36.9	0	0	0	112.7	T20 F21 N45	T20-D23 WeakPolarHBondContact CB-OD2 3.49Å; T20-D23 VanDerWaalsContact CG2-OD2 3.3Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.22Å; T20-D23 PolarHBondContact O-N 2.73Å; F21-D23 PolarHBondContact O-N 2.79Å; D23-N45 PolarHBondContact O-ND2 2.88Å
24	Y	90.5	Very high	92.7	Very high	40 Å²	40	49.1 Å²	49.1	16%	0.157	33%	0.329	C	S	.	.	S	Bend	trans	-98.3	150.8	-170	-69.4	-109.7	0	0	0	112.3	F19 T20 F21 R66 W94	F19-Y24 HydrophobicContact CB-CE2 4.1Å; F19-Y24 HydrophobicContact CD2-CD1 4.31Å; F19-Y24 AromaticContact CD2-CD2 3.55Å; F19-Y24 HydrophobicContact CD2-CD2 3.55Å; F19-Y24 HydrophobicContact CD2-CE1 4.47Å; F19-Y24 AromaticContact CD2-CE2 3.81Å; F19-Y24 HydrophobicContact CD2-CE2 3.81Å; F19-Y24 AromaticContact CD2-CG 3.82Å; F19-Y24 HydrophobicContact CD2-CG 3.82Å; F19-Y24 HydrophobicContact CE2-CD2 4.17Å; F19-Y24 HydrophobicContact CE2-CG 4.09Å; F19-Y24 HydrophobicContact CG-CE2 4.41Å; T20-Y24 VanDerWaalsContact O-CD2 3.22Å; T20-Y24 WeakPolarHBondContact O-CD2 3.43Å; F21-Y24 PolarHBondContact O-N 2.9Å; Y24-R66 PolarHBondContact O-NH1 3Å; Y24-W94 HydrophobicContact CD1-CD2 4.31Å; Y24-W94 HydrophobicContact CD1-CZ2 4.32Å; Y24-W94 AromaticContact CE1-CD2 3.93Å; Y24-W94 HydrophobicContact CE1-CD2 3.93Å; Y24-W94 AromaticContact CE1-CE2 3.23Å; Y24-W94 AromaticContact CE1-CH2 3.96Å; Y24-W94 HydrophobicContact CE1-CH2 3.96Å; Y24-W94 AromaticContact CE1-CZ2 3.29Å; Y24-W94 HydrophobicContact CE1-CZ2 3.29Å; Y24-W94 AromaticContact CE1-NE1 3.42Å; Y24-W94 HydrophobicContact CE2-CH2 4.43Å; Y24-W94 HydrophobicContact CE2-CZ2 4.37Å; Y24-W94 AromaticContact CZ-CE2 3.8Å; Y24-W94 AromaticContact CZ-CH2 3.75Å; Y24-W94 AromaticContact CZ-CZ2 3.31Å; Y24-W94 WeakPolarHBondContact OH-CZ2 3.33Å
25	Y	93.6	Very high	92.7	Very high	12 Å²	12	54.5 Å²	54.5	5%	0.047	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	142.4	161.9	-59.6	-3.2	0	0	0	108.1	I43 R44 N45 N48 S92 L93 Y95 M98	Y25-I43 WeakPolarHBondContact CA-O 3.36Å; Y25-R44 HydrophobicContact CD1-CB 3.86Å; Y25-R44 HydrophobicContact CD1-CG 4.24Å; Y25-R44 HydrophobicContact CD2-CG 4.16Å; Y25-R44 HydrophobicContact CE1-CB 3.69Å; Y25-R44 HydrophobicContact CE1-CG 4.03Å; Y25-R44 HydrophobicContact CE2-CG 3.94Å; Y25-R44 VanDerWaalsContact CE2-NH1 3.29Å; Y25-R44 HydrophobicContact CG-CB 4.34Å; Y25-R44 HydrophobicContact CG-CG 4.3Å; Y25-R44 PolarHBondContact OH-NH1 2.89Å; Y25-R44 VanDerWaalsContact OH-NH1 3.16Å; Y25-N45 HydrophobicContact CD1-CB 4.18Å; Y25-N45 VanDerWaalsContact CD1-N 3.34Å; Y25-N45 HydrophobicContact CE1-CB 4.31Å; Y25-N48 HydrophobicContact CE1-CB 4.31Å; Y25-N48 VanDerWaalsContact CE1-OD1 3.25Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.37Å; Y25-N48 PolarHBondContact OH-OD1 2.58Å; Y25-S92 WeakPolarHBondContact O-CA 3.36Å; Y25-L93 PolarHBondContact O-N 3.5Å; Y25-L93 VanDerWaalsContact O-N 3.14Å; Y25-Y95 HydrophobicContact CE2-CD2 4.29Å; Y25-M98 HydrophobicContact CD2-CE 3.85Å; Y25-M98 HydrophobicContact CE2-CE 4.23Å
26	M	94.8	Very high	92.7	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.9	-174.1	-63.1	-55.3	-52.8	0	0	109.2	T16 F19 F21 F42 I43 L73	T16-M26 HydrophobicContact CG2-CE 4.04Å; F19-M26 HydrophobicContact CE2-CE 4.48Å; F19-M26 HydrophobicContact CE2-SD 3.84Å; F19-M26 HydrophobicContact CZ-CE 3.96Å; F19-M26 HydrophobicContact CZ-SD 3.93Å; F21-M26 HydrophobicContact CD2-CE 4.28Å; F21-M26 HydrophobicContact CD2-CG 4.14Å; F21-M26 HydrophobicContact CD2-SD 3.92Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.83Å; F21-M26 HydrophobicContact CZ-CG 4.02Å; M26-F42 CarbonylContact O-C 3.59Å; M26-F42 WeakPolarHBondContact O-CA 3.02Å; M26-F42 WeakPolarHBondContact O-CB 3.02Å; M26-I43 HydrophobicContact CB-CG2 4.09Å; M26-I43 PolarHBondContact N-O 3.16Å; M26-I43 PolarHBondContact O-N 3.42Å; M26-L73 HydrophobicContact CB-CD1 3.55Å; M26-L73 HydrophobicContact CB-CD2 3.84Å; M26-L73 HydrophobicContact CB-CG 4.22Å; M26-L73 HydrophobicContact CG-CD1 4.39Å
27	S	95.3	Very high	93	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149.3	-174.1	-62.8	0	0	0	0	111.3	G41 F42 C90 A91 L93	S27-G41 WeakPolarHBondContact CA-O 3.12Å; S27-F42 WeakPolarHBondContact OG-CB 3.05Å; S27-C90 CarbonylContact O-C 3.48Å; S27-C90 VanDerWaalsContact O-CA 3.28Å; S27-C90 WeakPolarHBondContact O-CA 3.34Å; S27-A91 PolarHBondContact N-O 2.87Å; S27-A91 PolarHBondContact O-N 3.22Å; S27-L93 WeakPolarHBondContact OG-CD1 3.2Å
28	W	97.1	Very high	93.3	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.019	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134	163.5	-77.8	97.3	0	0	0	109.8	L12 C14 L40 G41 L73 Y74 L75 Y89	L12-W28 HydrophobicContact CB-CH2 3.75Å; L12-W28 HydrophobicContact CB-CZ2 4.32Å; L12-W28 HydrophobicContact CB-CZ3 4.25Å; L12-W28 HydrophobicContact CD1-CZ3 4.22Å; C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 4.13Å; W28-L40 HydrophobicContact CB-CB 4.25Å; W28-L40 WeakPolarHBondContact O-CB 3.37Å; W28-L40 PolarHBondContact O-N 3.18Å; W28-G41 PolarHBondContact N-O 3.13Å; W28-L73 HydrophobicContact CD2-CD2 4.23Å; W28-L73 HydrophobicContact CG-CD2 4.22Å; W28-L73 HydrophobicContact CZ2-CB 4.49Å; W28-L73 HydrophobicContact CZ2-CD2 4.21Å; W28-L73 HydrophobicContact CZ2-CG 4.22Å; W28-Y74 PolarHBondContact NE1-O 3.05Å; W28-L75 HydrophobicContact CB-CD2 4.44Å; W28-L75 HydrophobicContact CD2-CB 3.85Å; W28-L75 HydrophobicContact CD2-CD2 4.09Å; W28-L75 HydrophobicContact CD2-CG 4.43Å; W28-L75 VanDerWaalsContact CE2-CB 3.48Å; W28-L75 HydrophobicContact CE3-CB 4.47Å; W28-L75 HydrophobicContact CE3-CD2 4.32Å; W28-L75 HydrophobicContact CG-CB 4.18Å; W28-L75 HydrophobicContact CG-CD1 4.13Å; W28-L75 HydrophobicContact CG-CD2 4.15Å; W28-L75 HydrophobicContact CG-CG 4.4Å; W28-L75 HydrophobicContact CH2-CB 4.42Å; W28-L75 HydrophobicContact CZ2-CB 3.8Å; W28-Y89 WeakPolarHBondContact CA-O 3.23Å
29	V	96.4	Very high	93.8	Very high	23 Å²	23	56.2 Å²	56.2	14%	0.139	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.7	176.9	-174.3	0	0	0	0	107.3	L37 E38 Y89	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.67Å; V29-L37 HydrophobicContact CG1-CG 4.21Å; V29-E38 CarbonylContact C-O 3.47Å; V29-E38 WeakPolarHBondContact CA-O 3.31Å; V29-E38 WeakPolarHBondContact CG1-O 3.48Å; V29-Y89 PolarHBondContact N-O 3.22Å; V29-Y89 PolarHBondContact O-N 3.08Å
30	R	96.2	Very high	94.3	Very high	15 Å²	15	53.6 Å²	53.6	6%	0.057	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.8	171.2	70.2	175	178	-163	-1.2	111.8	L37 E38 L40 D84 A86 T87 Y88	R30-L37 WeakPolarHBondContact O-CA 3.32Å; R30-E38 HydrophobicContact CG-CB 4.13Å; R30-E38 IonicContact CZ-OE1 2.91Å; R30-E38 IonicContact CZ-OE2 3.86Å; R30-E38 VanDerWaalsContact CZ-OE2 3.24Å; R30-E38 PolarHBondContact N-O 2.92Å; R30-E38 IonicContact NE-OE1 3.74Å; R30-E38 IonicContact NE-OE2 3.89Å; R30-E38 PolarHBondContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE1 3.8Å; R30-E38 PolarHBondContact NH2-OE1 3.22Å; R30-E38 VanDerWaalsContact NH2-OE1 3.1Å; R30-E38 IonicContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact NH2-OE2 3.08Å; R30-E38 PolarHBondContact O-N 2.96Å; R30-L40 HydrophobicContact CB-CD1 4.03Å; R30-L40 HydrophobicContact CB-CG 4.38Å; R30-L40 HydrophobicContact CG-CD1 4.08Å; R30-L40 HydrophobicContact CG-CD2 3.78Å; R30-L40 HydrophobicContact CG-CG 4.06Å; R30-D84 IonicContact NH1-OD1 2.91Å; R30-D84 PolarHBondContact NH1-OD1 2.98Å; R30-A86 HydrophobicContact CB-CB 3.87Å; R30-A86 HydrophobicContact CG-CB 4.24Å; R30-T87 CarbonylContact C-O 3.47Å; R30-T87 VanDerWaalsContact CA-O 3.22Å; R30-T87 WeakPolarHBondContact CA-O 3.3Å; R30-Y88 HydrophobicContact CB-CD1 4.03Å; R30-Y88 HydrophobicContact CB-CE1 3.97Å; R30-Y88 HydrophobicContact CB-CG 4.36Å
31	Q	96.5	Very high	94.7	Very high	74 Å²	74	49.6 Å²	49.6	35%	0.346	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	104.5	170.7	-166.5	176.3	25.9	0	0	109.7	K35 L37 A86 T87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.38Å; Q31-K35 PolarHBondContact NE2-O 3.33Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 4.31Å; Q31-A86 WeakPolarHBondContact O-CB 3.42Å; Q31-T87 PolarHBondContact N-O 3.44Å; Q31-T87 PolarHBondContact O-N 3.04Å; Q31-Y89 HydrophobicContact CB-CE2 3.89Å
32	P	95.9	Very high	95	Very high	18 Å²	18	49.6 Å²	49.6	12%	0.117	28%	0.282	C	S	.	.			trans	-64.9	151.1	168.7	-18	31.1	0	0	0	110.8	G34 K35 A86	P32-G34 PolarHBondContact O-N 2.89Å; P32-K35 HydrophobicContact CB-CB 4.07Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.29Å; P32-K35 HydrophobicContact CG-CD 4.28Å; P32-K35 PolarHBondContact O-N 2.91Å; P32-A86 HydrophobicContact CG-CB 4.44Å
33	P	95.3	Very high	95.2	Very high	110 Å²	110	46.6 Å²	46.6	71%	0.714	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	126	178	-25.8	34.5	0	0	0	112.1	K35	P33-K35 VanDerWaalsContact C-N 3.25Å; P33-K35 PolarHBondContact O-N 2.91Å
34	G	96.4	Very high	95.4	Very high	94 Å²	94	44.6 Å²	44.6	97%	0.969	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	11.1	179.5	0	0	0	0	0	115.6	P32	P32-G34 PolarHBondContact O-N 2.89Å
35	K	95.6	Very high	95.6	Very high	142 Å²	142	43.7 Å²	43.7	62%	0.617	25%	0.251	S	S	*	.	S	Bend	trans	-118	164.9	179.5	-59.8	-167.9	-176.3	179	0	112.5	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.38Å; Q31-K35 PolarHBondContact NE2-O 3.33Å; P32-K35 HydrophobicContact CB-CB 4.07Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.29Å; P32-K35 HydrophobicContact CG-CD 4.28Å; P32-K35 PolarHBondContact O-N 2.91Å; P33-K35 VanDerWaalsContact C-N 3.25Å; P33-K35 PolarHBondContact O-N 2.91Å
36	A	94.4	Very high	95.5	Very high	83 Å²	83	49.5 Å²	49.5	69%	0.686	28%	0.277	S	S	*	.			trans	-67	166.9	171.3	0	0	0	0	0	111.6
37	L	95.3	Very high	95.3	Very high	110 Å²	110	53.7 Å²	53.7	58%	0.576	31%	0.311	S	S	*	.			trans	-66.7	136	173.4	-72.1	166.2	0	0	0	110.8	V29 R30 Q31 Y89	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.67Å; V29-L37 HydrophobicContact CG1-CG 4.21Å; R30-L37 WeakPolarHBondContact O-CA 3.32Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 4.31Å; L37-Y89 HydrophobicContact CD2-CD2 4.08Å; L37-Y89 HydrophobicContact CD2-CE2 4.16Å
38	E	95.3	Very high	95.2	Very high	61 Å²	61	57.2 Å²	57.2	29%	0.285	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.9	175.3	-177.1	-169.8	167.7	0	0	109.1	V29 R30 L40 S57	V29-E38 CarbonylContact C-O 3.47Å; V29-E38 WeakPolarHBondContact CA-O 3.31Å; V29-E38 WeakPolarHBondContact CG1-O 3.48Å; R30-E38 HydrophobicContact CG-CB 4.13Å; R30-E38 IonicContact CZ-OE1 2.91Å; R30-E38 IonicContact CZ-OE2 3.86Å; R30-E38 VanDerWaalsContact CZ-OE2 3.24Å; R30-E38 PolarHBondContact N-O 2.92Å; R30-E38 IonicContact NE-OE1 3.74Å; R30-E38 IonicContact NE-OE2 3.89Å; R30-E38 PolarHBondContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE1 3.8Å; R30-E38 PolarHBondContact NH2-OE1 3.22Å; R30-E38 VanDerWaalsContact NH2-OE1 3.1Å; R30-E38 IonicContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact NH2-OE2 3.08Å; R30-E38 PolarHBondContact O-N 2.96Å; E38-L40 HydrophobicContact CG-CD2 4.48Å; E38-S57 WeakPolarHBondContact OE1-CB 3.44Å; E38-S57 PolarHBondContact OE1-OG 3.07Å
39	W	95.5	Very high	95	Very high	87 Å²	87	59.6 Å²	59.6	33%	0.33	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131.2	171.6	174.2	85.1	0	0	0	110.5	G41 F42 E53 S55	W39-G41 VanDerWaalsContact CE2-CA 3.44Å; W39-G41 VanDerWaalsContact CZ2-C 3.42Å; W39-G41 PolarHBondContact NE1-O 3.27Å; W39-F42 HydrophobicContact CH2-CD1 4.42Å; W39-F42 HydrophobicContact CZ2-CB 4.48Å; W39-F42 AromaticContact CZ2-CD1 3.4Å; W39-F42 HydrophobicContact CZ2-CD1 3.4Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.4Å; W39-F42 AromaticContact CZ2-CE1 3.94Å; W39-F42 HydrophobicContact CZ2-CE1 3.94Å; W39-F42 HydrophobicContact CZ2-CG 4.29Å; W39-E53 HydrophobicContact CH2-CB 4.22Å; W39-S55 VanDerWaalsContact CZ3-N 3.35Å; W39-S55 WeakPolarHBondContact O-CB 3.38Å
40	L	96.6	Very high	95	Very high	1 Å²	1	63 Å²	63	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-37	-177.8	-64.2	-174.2	0	0	0	113.3	W28 R30 E38 S55 V58 F62 L75 Y88	W28-L40 HydrophobicContact CB-CB 4.25Å; W28-L40 WeakPolarHBondContact O-CB 3.37Å; W28-L40 PolarHBondContact O-N 3.18Å; R30-L40 HydrophobicContact CB-CD1 4.03Å; R30-L40 HydrophobicContact CB-CG 4.38Å; R30-L40 HydrophobicContact CG-CD1 4.08Å; R30-L40 HydrophobicContact CG-CD2 3.78Å; R30-L40 HydrophobicContact CG-CG 4.06Å; E38-L40 HydrophobicContact CG-CD2 4.48Å; L40-S55 PolarHBondContact O-N 3.4Å; L40-S55 PolarHBondContact O-OG 2.89Å; L40-S55 VanDerWaalsContact O-OG 3.07Å; L40-V58 HydrophobicContact CB-CG2 4.34Å; L40-V58 HydrophobicContact CD2-CG1 3.81Å; L40-V58 VanDerWaalsContact O-CG2 3.25Å; L40-V58 WeakPolarHBondContact O-CG2 3.46Å; L40-F62 HydrophobicContact CD1-CE2 4.43Å; L40-L75 HydrophobicContact CD1-CD2 4.33Å; L40-Y88 HydrophobicContact CD1-CD1 3.83Å; L40-Y88 HydrophobicContact CD1-CE1 3.46Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.46Å
41	G	96.4	Very high	95	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	166.6	-172.3	0	0	0	0	0	111.8	S27 W28 W39 E53	S27-G41 WeakPolarHBondContact CA-O 3.12Å; W28-G41 PolarHBondContact N-O 3.13Å; W39-G41 VanDerWaalsContact CE2-CA 3.44Å; W39-G41 VanDerWaalsContact CZ2-C 3.42Å; W39-G41 PolarHBondContact NE1-O 3.27Å; G41-E53 CarbonylContact C-O 3.46Å; G41-E53 WeakPolarHBondContact CA-O 3.25Å
42	F	96.6	Very high	95	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.018	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.5	168.9	69.3	-105.8	0	0	0	112	M26 S27 W39 R44 T52 E53 M98	M26-F42 CarbonylContact O-C 3.59Å; M26-F42 WeakPolarHBondContact O-CA 3.02Å; M26-F42 WeakPolarHBondContact O-CB 3.02Å; S27-F42 WeakPolarHBondContact OG-CB 3.05Å; W39-F42 HydrophobicContact CH2-CD1 4.42Å; W39-F42 HydrophobicContact CZ2-CB 4.48Å; W39-F42 AromaticContact CZ2-CD1 3.4Å; W39-F42 HydrophobicContact CZ2-CD1 3.4Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.4Å; W39-F42 AromaticContact CZ2-CE1 3.94Å; W39-F42 HydrophobicContact CZ2-CE1 3.94Å; W39-F42 HydrophobicContact CZ2-CG 4.29Å; F42-R44 HydrophobicContact CD2-CG 3.99Å; F42-R44 HydrophobicContact CE2-CG 3.49Å; F42-R44 VanDerWaalsContact CE2-CG 3.49Å; F42-T52 VanDerWaalsContact O-CA 3.26Å; F42-T52 WeakPolarHBondContact O-CA 3.28Å; F42-E53 HydrophobicContact CD1-CB 4.37Å; F42-E53 HydrophobicContact CE1-CB 3.78Å; F42-E53 HydrophobicContact CE1-CG 4.21Å; F42-E53 HydrophobicContact CE2-CB 4.29Å; F42-E53 HydrophobicContact CE2-CG 4.24Å; F42-E53 HydrophobicContact CZ-CB 3.76Å; F42-E53 HydrophobicContact CZ-CG 3.72Å; F42-E53 VanDerWaalsContact CZ-OE1 3.25Å; F42-E53 WeakPolarHBondContact CZ-OE1 3.47Å; F42-E53 PolarHBondContact N-O 2.84Å; F42-E53 PolarHBondContact O-N 3.19Å; F42-E53 VanDerWaalsContact O-N 3.15Å; F42-M98 HydrophobicContact CD1-CE 3.69Å; F42-M98 HydrophobicContact CD1-SD 3.38Å; F42-M98 WeakPolarHBondContact CD1-SD 3.46Å; F42-M98 HydrophobicContact CD2-CE 4.39Å; F42-M98 HydrophobicContact CE1-CE 3.26Å; F42-M98 HydrophobicContact CE1-SD 3.42Å; F42-M98 WeakPolarHBondContact CE1-SD 3.39Å; F42-M98 HydrophobicContact CE2-CE 4.01Å; F42-M98 HydrophobicContact CG-CE 4.27Å; F42-M98 HydrophobicContact CG-SD 4.21Å; F42-M98 HydrophobicContact CZ-CE 3.43Å; F42-M98 VanDerWaalsContact CZ-CE 3.43Å; F42-M98 HydrophobicContact CZ-SD 4.21Å
43	I	96.4	Very high	95	Very high	10 Å²	10	68.1 Å²	68.1	5%	0.051	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.4	166.9	-174.7	161.5	0	0	0	109.6	Y25 M26 T52 I64 R66 L73	Y25-I43 WeakPolarHBondContact CA-O 3.36Å; M26-I43 HydrophobicContact CB-CG2 4.09Å; M26-I43 PolarHBondContact N-O 3.16Å; M26-I43 PolarHBondContact O-N 3.42Å; I43-T52 HydrophobicContact CB-CG2 3.94Å; I43-T52 HydrophobicContact CD1-CG2 3.97Å; I43-T52 HydrophobicContact CG1-CG2 3.84Å; I43-I64 HydrophobicContact CB-CG2 3.76Å; I43-I64 HydrophobicContact CG2-CG2 3.59Å; I43-R66 HydrophobicContact CD1-CG 3.87Å; I43-R66 HydrophobicContact CG1-CG 4.46Å; I43-R66 HydrophobicContact CG2-CB 4.37Å; I43-R66 HydrophobicContact CG2-CG 4.45Å; I43-L73 HydrophobicContact CG2-CD1 3.58Å
44	R	94.1	Very high	95.1	Very high	46 Å²	46	65.5 Å²	65.5	17%	0.174	38%	0.375	C	S	.	.			trans	-71.7	165.9	177.1	-57.3	-165.4	-176.4	-118.2	-2.9	111.3	Y25 F42 N48 T51 E53 R66	Y25-R44 HydrophobicContact CD1-CB 3.86Å; Y25-R44 HydrophobicContact CD1-CG 4.24Å; Y25-R44 HydrophobicContact CD2-CG 4.16Å; Y25-R44 HydrophobicContact CE1-CB 3.69Å; Y25-R44 HydrophobicContact CE1-CG 4.03Å; Y25-R44 HydrophobicContact CE2-CG 3.94Å; Y25-R44 VanDerWaalsContact CE2-NH1 3.29Å; Y25-R44 HydrophobicContact CG-CB 4.34Å; Y25-R44 HydrophobicContact CG-CG 4.3Å; Y25-R44 PolarHBondContact OH-NH1 2.89Å; Y25-R44 VanDerWaalsContact OH-NH1 3.16Å; F42-R44 HydrophobicContact CD2-CG 3.99Å; F42-R44 HydrophobicContact CE2-CG 3.49Å; F42-R44 VanDerWaalsContact CE2-CG 3.49Å; R44-N48 HydrophobicContact CB-CB 3.79Å; R44-N48 HydrophobicContact CG-CB 4.37Å; R44-T51 VanDerWaalsContact CD-OG1 3.25Å; R44-T51 WeakPolarHBondContact CD-OG1 3.46Å; R44-T51 PolarHBondContact N-O 3.37Å; R44-E53 IonicContact CZ-OE1 3.24Å; R44-E53 IonicContact NE-OE1 2.77Å; R44-E53 IonicContact NH2-OE1 2.83Å; R44-E53 PolarHBondContact NH2-OE1 2.02Å; R44-R66 PolarHBondContact O-NH1 2.91Å
45	N	93.1	Very high	95	Very high	21 Å²	21	61.8 Å²	61.8	11%	0.112	33%	0.334	C	S	.	.			trans	-71.1	176.3	174	68.8	9.1	0	0	0	112.2	I22 D23 Y25 A47 N48 G49 Y50 R66	I22-N45 VanDerWaalsContact O-CB 3.23Å; I22-N45 WeakPolarHBondContact O-CB 3.21Å; D23-N45 PolarHBondContact O-ND2 2.88Å; Y25-N45 HydrophobicContact CD1-CB 4.18Å; Y25-N45 VanDerWaalsContact CD1-N 3.34Å; Y25-N45 HydrophobicContact CE1-CB 4.31Å; N45-A47 VanDerWaalsContact C-N 3.28Å; N45-A47 PolarHBondContact O-N 2.97Å; N45-A47 PolarHBondContact OD1-N 2.96Å; N45-N48 CarbonylContact O-C 3.52Å; N45-N48 PolarHBondContact O-N 3.14Å; N45-N48 PolarHBondContact OD1-N 2.9Å; N45-N48 PolarHBondContact OD1-OD1 3.09Å; N45-G49 PolarHBondContact O-N 3.04Å; N45-Y50 PolarHBondContact O-N 2.82Å; N45-R66 VanDerWaalsContact CA-NH1 3.34Å
46	K	91.7	Very high	95	Very high	135 Å²	135	59.9 Å²	59.9	59%	0.587	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-59.1	-40.6	179	-173.3	176.8	178.7	-177	0	112.1	N48 G49 Y50	K46-N48 PolarHBondContact O-N 2.88Å; K46-G49 PolarHBondContact O-N 3.36Å; K46-Y50 HydrophobicContact CB-CE1 3.82Å; K46-Y50 HydrophobicContact CB-CE2 4.15Å; K46-Y50 WeakPolarHBondContact CB-OH 3.33Å; K46-Y50 HydrophobicContact CG-CE1 4.45Å; K46-Y50 HydrophobicContact CG-CE2 3.88Å; K46-Y50 WeakPolarHBondContact CG-OH 3.48Å
47	A	91.6	Very high	95	Very high	89 Å²	89	57.8 Å²	57.8	74%	0.736	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-61.1	-27.7	-178.8	0	0	0	0	0	112.5	N45	N45-A47 VanDerWaalsContact C-N 3.28Å; N45-A47 PolarHBondContact O-N 2.97Å; N45-A47 PolarHBondContact OD1-N 2.96Å
48	N	92.6	Very high	95	Very high	73 Å²	73	52.6 Å²	52.6	39%	0.39	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-105.1	25.4	176.7	-60.5	115.1	0	0	0	113.2	Y25 R44 N45 K46 Y50 T51	Y25-N48 HydrophobicContact CE1-CB 4.31Å; Y25-N48 VanDerWaalsContact CE1-OD1 3.25Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.37Å; Y25-N48 PolarHBondContact OH-OD1 2.58Å; R44-N48 HydrophobicContact CB-CB 3.79Å; R44-N48 HydrophobicContact CG-CB 4.37Å; N45-N48 CarbonylContact O-C 3.52Å; N45-N48 PolarHBondContact O-N 3.14Å; N45-N48 PolarHBondContact OD1-N 2.9Å; N45-N48 PolarHBondContact OD1-OD1 3.09Å; K46-N48 PolarHBondContact O-N 2.88Å; N48-Y50 VanDerWaalsContact C-N 3.32Å; N48-Y50 PolarHBondContact O-N 2.7Å; N48-T51 PolarHBondContact O-OG1 2.78Å
49	G	93.8	Very high	95.1	Very high	55 Å²	55	57.1 Å²	57.1	57%	0.567	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	18	167.6	0	0	0	0	0	115.4	N45 K46 T51	N45-G49 PolarHBondContact O-N 3.04Å; K46-G49 PolarHBondContact O-N 3.36Å; G49-T51 PolarHBondContact O-N 2.84Å; G49-T51 VanDerWaalsContact O-N 3.11Å
50	Y	95.3	Very high	95.1	Very high	96 Å²	96	56.9 Å²	56.9	38%	0.376	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	26.6	-178.4	-56.7	-63.7	0	0	0	114.6	N45 K46 N48 R66 N68	N45-Y50 PolarHBondContact O-N 2.82Å; K46-Y50 HydrophobicContact CB-CE1 3.82Å; K46-Y50 HydrophobicContact CB-CE2 4.15Å; K46-Y50 WeakPolarHBondContact CB-OH 3.33Å; K46-Y50 HydrophobicContact CG-CE1 4.45Å; K46-Y50 HydrophobicContact CG-CE2 3.88Å; K46-Y50 WeakPolarHBondContact CG-OH 3.48Å; N48-Y50 VanDerWaalsContact C-N 3.32Å; N48-Y50 PolarHBondContact O-N 2.7Å; Y50-R66 HydrophobicContact CD1-CG 4.44Å; Y50-R66 HydrophobicContact CE1-CG 4.47Å; Y50-N68 PolarHBondContact OH-ND2 3.19Å
51	T	95.8	Very high	95.1	Very high	72 Å²	72	57.9 Å²	57.9	44%	0.442	35%	0.345	S	S	.	.			trans	-64.1	148.1	178	55.1	0	0	0	0	110.7	R44 N48 G49	R44-T51 VanDerWaalsContact CD-OG1 3.25Å; R44-T51 WeakPolarHBondContact CD-OG1 3.46Å; R44-T51 PolarHBondContact N-O 3.37Å; N48-T51 PolarHBondContact O-OG1 2.78Å; G49-T51 PolarHBondContact O-N 2.84Å; G49-T51 VanDerWaalsContact O-N 3.11Å
52	T	96.7	Very high	95.1	Very high	54 Å²	54	58.1 Å²	58.1	33%	0.331	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139	-177.4	56.4	0	0	0	0	110.8	F42 I43 Y54	F42-T52 VanDerWaalsContact O-CA 3.26Å; F42-T52 WeakPolarHBondContact O-CA 3.28Å; I43-T52 HydrophobicContact CB-CG2 3.94Å; I43-T52 HydrophobicContact CD1-CG2 3.97Å; I43-T52 HydrophobicContact CG1-CG2 3.84Å; T52-Y54 VanDerWaalsContact OG1-CE2 3.25Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.36Å
53	E	96.1	Very high	95.1	Very high	87 Å²	87	60.9 Å²	60.9	41%	0.407	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.5	170.8	-66.5	177.3	-140.7	0	0	108.9	W39 G41 F42 R44	W39-E53 HydrophobicContact CH2-CB 4.22Å; G41-E53 CarbonylContact C-O 3.46Å; G41-E53 WeakPolarHBondContact CA-O 3.25Å; F42-E53 HydrophobicContact CD1-CB 4.37Å; F42-E53 HydrophobicContact CE1-CB 3.78Å; F42-E53 HydrophobicContact CE1-CG 4.21Å; F42-E53 HydrophobicContact CE2-CB 4.29Å; F42-E53 HydrophobicContact CE2-CG 4.24Å; F42-E53 HydrophobicContact CZ-CB 3.76Å; F42-E53 HydrophobicContact CZ-CG 3.72Å; F42-E53 VanDerWaalsContact CZ-OE1 3.25Å; F42-E53 WeakPolarHBondContact CZ-OE1 3.47Å; F42-E53 PolarHBondContact N-O 2.84Å; F42-E53 PolarHBondContact O-N 3.19Å; F42-E53 VanDerWaalsContact O-N 3.15Å; R44-E53 IonicContact CZ-OE1 3.24Å; R44-E53 IonicContact NE-OE1 2.77Å; R44-E53 IonicContact NH2-OE1 2.83Å; R44-E53 PolarHBondContact NH2-OE1 2.02Å
54	Y	96.9	Very high	95.2	Very high	55 Å²	55	60.7 Å²	60.7	22%	0.216	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.8	-175.3	-60.8	-87.9	0	0	0	109.8	T52 V58 F62 I64	T52-Y54 VanDerWaalsContact OG1-CE2 3.25Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.36Å; Y54-V58 HydrophobicContact CD1-CG2 4.31Å; Y54-F62 WeakPolarHBondContact CE1-O 3.38Å; Y54-I64 HydrophobicContact CD1-CD1 4.37Å; Y54-I64 HydrophobicContact CE1-CB 4.39Å; Y54-I64 HydrophobicContact CE1-CD1 4.01Å; Y54-I64 HydrophobicContact CE1-CG1 3.85Å; Y54-I64 PolarHBondContact OH-N 2.95Å
55	S	96.1	Very high	95.4	Very high	17 Å²	17	60.5 Å²	60.5	12%	0.119	37%	0.369	C	S	.	.			trans	-63.1	155	166.7	66	0	0	0	0	110.8	W39 L40 S57 V58 K59	W39-S55 VanDerWaalsContact CZ3-N 3.35Å; W39-S55 WeakPolarHBondContact O-CB 3.38Å; L40-S55 PolarHBondContact O-N 3.4Å; L40-S55 PolarHBondContact O-OG 2.89Å; L40-S55 VanDerWaalsContact O-OG 3.07Å; S55-S57 PolarHBondContact O-N 3.32Å; S55-S57 PolarHBondContact OG-OG 3.15Å; S55-S57 VanDerWaalsContact OG-OG 3.08Å; S55-V58 PolarHBondContact O-N 3.16Å; S55-K59 WeakPolarHBondContact O-CB 3.2Å; S55-K59 PolarHBondContact O-N 2.64Å; S55-K59 VanDerWaalsContact O-N 3.08Å
56	A	95.7	Very high	95.5	Very high	101 Å²	101	61 Å²	61	84%	0.835	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.4	179.1	0	0	0	0	0	112.9	V58	A56-V58 VanDerWaalsContact C-N 3.3Å; A56-V58 PolarHBondContact O-N 3.34Å
57	S	93.5	Very high	95.7	Very high	40 Å²	40	56.5 Å²	56.5	28%	0.28	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.8	-177	61.7	0	0	0	0	113.7	E38 S55 R61	E38-S57 WeakPolarHBondContact OE1-CB 3.44Å; E38-S57 PolarHBondContact OE1-OG 3.07Å; S55-S57 PolarHBondContact O-N 3.32Å; S55-S57 PolarHBondContact OG-OG 3.15Å; S55-S57 VanDerWaalsContact OG-OG 3.08Å; S57-R61 PolarHBondContact O-NH2 2.97Å
58	V	96	Very high	95.8	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-7.1	-175.1	-55.5	0	0	0	0	114.5	L40 Y54 S55 A56 G60 R61 F62	L40-V58 HydrophobicContact CB-CG2 4.34Å; L40-V58 HydrophobicContact CD2-CG1 3.81Å; L40-V58 VanDerWaalsContact O-CG2 3.25Å; L40-V58 WeakPolarHBondContact O-CG2 3.46Å; Y54-V58 HydrophobicContact CD1-CG2 4.31Å; S55-V58 PolarHBondContact O-N 3.16Å; A56-V58 VanDerWaalsContact C-N 3.3Å; A56-V58 PolarHBondContact O-N 3.34Å; V58-G60 PolarHBondContact O-N 3.05Å; V58-R61 PolarHBondContact O-N 3.03Å; V58-F62 HydrophobicContact CB-CB 4.08Å; V58-F62 HydrophobicContact CB-CD1 4.41Å; V58-F62 HydrophobicContact CB-CD2 3.5Å; V58-F62 HydrophobicContact CB-CE2 3.93Å; V58-F62 HydrophobicContact CB-CG 3.76Å; V58-F62 HydrophobicContact CG1-CD2 3.47Å; V58-F62 VanDerWaalsContact CG1-CD2 3.47Å; V58-F62 HydrophobicContact CG1-CE2 3.37Å; V58-F62 HydrophobicContact CG1-CG 4.17Å; V58-F62 HydrophobicContact CG1-CZ 4Å; V58-F62 HydrophobicContact CG2-CB 4.37Å; V58-F62 HydrophobicContact CG2-CD2 4.12Å; V58-F62 HydrophobicContact CG2-CG 4.46Å; V58-F62 PolarHBondContact O-N 3.33Å
59	K	95.9	Very high	95.9	Very high	155 Å²	155	55.7 Å²	55.7	67%	0.674	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	130.1	179.6	-169.7	170.6	-174.9	174.6	0	111.1	S55 R61	S55-K59 WeakPolarHBondContact O-CB 3.2Å; S55-K59 PolarHBondContact O-N 2.64Å; S55-K59 VanDerWaalsContact O-N 3.08Å; K59-R61 PolarHBondContact O-N 3.02Å
60	G	95.6	Very high	95.9	Very high	83 Å²	83	58.6 Å²	58.6	86%	0.856	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-5.8	-178.1	0	0	0	0	0	115.1	V58	V58-G60 PolarHBondContact O-N 3.05Å
61	R	96.4	Very high	95.9	Very high	21 Å²	21	55.7 Å²	55.7	8%	0.079	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-40.4	176.7	-58.7	-168.3	-57.8	116.4	-0.8	112	S57 V58 K59 N78 T79 D84	S57-R61 PolarHBondContact O-NH2 2.97Å; V58-R61 PolarHBondContact O-N 3.03Å; K59-R61 PolarHBondContact O-N 3.02Å; R61-N78 WeakPolarHBondContact O-CA 3.48Å; R61-N78 VanDerWaalsContact O-CB 3.26Å; R61-N78 WeakPolarHBondContact O-CB 3.41Å; R61-N78 PolarHBondContact O-N 2.78Å; R61-N78 PolarHBondContact O-ND2 2.95Å; R61-T79 PolarHBondContact NH1-O 2.98Å; R61-D84 IonicContact CZ-OD1 3.49Å; R61-D84 IonicContact CZ-OD2 3.83Å; R61-D84 IonicContact NH1-OD1 2.7Å; R61-D84 IonicContact NH1-OD2 2.89Å; R61-D84 PolarHBondContact NH1-OD2 2.86Å; R61-D84 IonicContact NH2-OD1 3.36Å; R61-D84 PolarHBondContact NH2-OD1 3.49Å; R61-D84 IonicContact NH2-OD2 3.9Å; R61-D84 PolarHBondContact NH2-OD2 2.81Å
62	F	96.9	Very high	96	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.022	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	151.6	-176.9	-62.5	3.4	0	0	0	111.4	L40 Y54 V58 L75 Q76 M77 L80 D84 Y88	L40-F62 HydrophobicContact CD1-CE2 4.43Å; Y54-F62 WeakPolarHBondContact CE1-O 3.38Å; V58-F62 HydrophobicContact CB-CB 4.08Å; V58-F62 HydrophobicContact CB-CD1 4.41Å; V58-F62 HydrophobicContact CB-CD2 3.5Å; V58-F62 HydrophobicContact CB-CE2 3.93Å; V58-F62 HydrophobicContact CB-CG 3.76Å; V58-F62 HydrophobicContact CG1-CD2 3.47Å; V58-F62 VanDerWaalsContact CG1-CD2 3.47Å; V58-F62 HydrophobicContact CG1-CE2 3.37Å; V58-F62 HydrophobicContact CG1-CG 4.17Å; V58-F62 HydrophobicContact CG1-CZ 4Å; V58-F62 HydrophobicContact CG2-CB 4.37Å; V58-F62 HydrophobicContact CG2-CD2 4.12Å; V58-F62 HydrophobicContact CG2-CG 4.46Å; V58-F62 PolarHBondContact O-N 3.33Å; F62-L75 HydrophobicContact CB-CD1 4.05Å; F62-L75 HydrophobicContact CD2-CD1 4.24Å; F62-L75 HydrophobicContact CD2-CD2 4.11Å; F62-L75 HydrophobicContact CD2-CG 4.38Å; F62-Q76 CarbonylContact C-O 3.59Å; F62-Q76 WeakPolarHBondContact CA-O 3.46Å; F62-M77 HydrophobicContact CD1-CB 3.81Å; F62-M77 HydrophobicContact CD1-CG 4.13Å; F62-M77 HydrophobicContact CD2-CE 4.44Å; F62-M77 HydrophobicContact CD2-CG 4.1Å; F62-M77 HydrophobicContact CE1-CB 3.73Å; F62-M77 HydrophobicContact CE1-CE 4.12Å; F62-M77 HydrophobicContact CE1-CG 4.13Å; F62-M77 HydrophobicContact CE2-CE 3.53Å; F62-M77 HydrophobicContact CE2-CG 4.08Å; F62-M77 HydrophobicContact CG-CB 4.32Å; F62-M77 HydrophobicContact CG-CG 4.16Å; F62-M77 HydrophobicContact CZ-CB 4.14Å; F62-M77 HydrophobicContact CZ-CE 3.36Å; F62-M77 HydrophobicContact CZ-CG 4.12Å; F62-L80 HydrophobicContact CE1-CD2 4.46Å; F62-L80 HydrophobicContact CZ-CD2 4.49Å; F62-D84 HydrophobicContact CZ-CB 4.23Å; F62-Y88 HydrophobicContact CE2-CE1 4.49Å
63	T	97.8	Very high	96	Very high	63 Å²	63	50.9 Å²	50.9	39%	0.387	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.1	178	-54	0	0	0	0	109.2	Q76	T63-Q76 PolarHBondContact N-O 2.84Å; T63-Q76 PolarHBondContact O-N 2.95Å
64	I	97.9	Very high	96.1	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.3	174.2	-60.3	169.8	0	0	0	108.5	I43 Y54 L73 Y74 L75	I43-I64 HydrophobicContact CB-CG2 3.76Å; I43-I64 HydrophobicContact CG2-CG2 3.59Å; Y54-I64 HydrophobicContact CD1-CD1 4.37Å; Y54-I64 HydrophobicContact CE1-CB 4.39Å; Y54-I64 HydrophobicContact CE1-CD1 4.01Å; Y54-I64 HydrophobicContact CE1-CG1 3.85Å; Y54-I64 PolarHBondContact OH-N 2.95Å; I64-L73 HydrophobicContact CG2-CD1 3.89Å; I64-Y74 WeakPolarHBondContact CA-O 3.26Å; I64-L75 HydrophobicContact CD1-CD1 4.47Å; I64-L75 HydrophobicContact CG1-CD1 3.6Å
65	S	97.5	Very high	96.2	Very high	42 Å²	42	46 Å²	46	29%	0.294	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	162.3	172.5	55.9	0	0	0	0	110.5	Y74	S65-Y74 PolarHBondContact N-O 2.92Å; S65-Y74 VanDerWaalsContact N-O 3.08Å; S65-Y74 PolarHBondContact O-N 3.3Å; S65-Y74 WeakPolarHBondContact OG-CB 3.46Å
66	R	96.5	Very high	96.2	Very high	31 Å²	31	48.3 Å²	48.3	12%	0.117	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	143.6	-176.1	62	-173.7	-72.4	165.5	6.1	111.3	F21 Y24 I43 R44 N45 Y50 N68 I72 L73	F21-R66 HydrophobicContact CE1-CB 4.09Å; F21-R66 HydrophobicContact CZ-CB 4.07Å; F21-R66 PolarHBondContact O-NH2 2.8Å; Y24-R66 PolarHBondContact O-NH1 3Å; I43-R66 HydrophobicContact CD1-CG 3.87Å; I43-R66 HydrophobicContact CG1-CG 4.46Å; I43-R66 HydrophobicContact CG2-CB 4.37Å; I43-R66 HydrophobicContact CG2-CG 4.45Å; R44-R66 PolarHBondContact O-NH1 2.91Å; N45-R66 VanDerWaalsContact CA-NH1 3.34Å; Y50-R66 HydrophobicContact CD1-CG 4.44Å; Y50-R66 HydrophobicContact CE1-CG 4.47Å; R66-N68 VanDerWaalsContact CZ-OD1 3.25Å; R66-N68 PolarHBondContact NE-OD1 2.85Å; R66-N68 PolarHBondContact NH2-OD1 3.25Å; R66-I72 WeakPolarHBondContact CA-O 3.07Å; R66-L73 HydrophobicContact CB-CD1 4.16Å
67	D	95.6	Very high	96.2	Very high	40 Å²	40	43.6 Å²	43.6	21%	0.214	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	106.4	168.9	-177	-14	0	0	0	109.2	S69 Q70 S71 I72 Y74	D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 WeakPolarHBondContact OD1-CB 3.26Å; D67-S69 PolarHBondContact OD1-N 2.71Å; D67-S69 PolarHBondContact OD1-OG 2.99Å; D67-Q70 PolarHBondContact O-N 2.79Å; D67-Q70 PolarHBondContact OD1-N 3.23Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.22Å; D67-Q70 PolarHBondContact OD2-NE2 3.31Å; D67-S71 WeakPolarHBondContact O-CA 3.35Å; D67-S71 PolarHBondContact O-N 3.08Å; D67-I72 PolarHBondContact N-O 2.78Å; D67-I72 PolarHBondContact O-N 2.77Å; D67-Y74 HydrophobicContact CB-CE2 3.91Å
68	N	93.8	Very high	96.2	Very high	41 Å²	41	44 Å²	44	22%	0.219	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-24.3	-178.5	-67.4	-22.5	0	0	0	113.2	F21 Y50 R66 Q70	F21-N68 WeakPolarHBondContact CD1-OD1 3Å; F21-N68 VanDerWaalsContact CE1-OD1 3.24Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.25Å; Y50-N68 PolarHBondContact OH-ND2 3.19Å; R66-N68 VanDerWaalsContact CZ-OD1 3.25Å; R66-N68 PolarHBondContact NE-OD1 2.85Å; R66-N68 PolarHBondContact NH2-OD1 3.25Å; N68-Q70 VanDerWaalsContact C-N 3.26Å; N68-Q70 PolarHBondContact O-N 2.85Å
69	S	93.4	Very high	96	Very high	105 Å²	105	48 Å²	48	73%	0.734	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.4	178.3	70.5	0	0	0	0	111.6	D67	D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 WeakPolarHBondContact OD1-CB 3.26Å; D67-S69 PolarHBondContact OD1-N 2.71Å; D67-S69 PolarHBondContact OD1-OG 2.99Å
70	Q	94.8	Very high	95.8	Very high	115 Å²	115	41.5 Å²	41.5	54%	0.537	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-5.9	-179.3	-59.7	-177	48.6	0	0	113.2	D67 N68 I72	D67-Q70 PolarHBondContact O-N 2.79Å; D67-Q70 PolarHBondContact OD1-N 3.23Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.22Å; D67-Q70 PolarHBondContact OD2-NE2 3.31Å; N68-Q70 VanDerWaalsContact C-N 3.26Å; N68-Q70 PolarHBondContact O-N 2.85Å; Q70-I72 VanDerWaalsContact C-N 3.26Å; Q70-I72 HydrophobicContact CB-CB 4.43Å; Q70-I72 HydrophobicContact CB-CD1 3.75Å; Q70-I72 HydrophobicContact CB-CG1 3.8Å; Q70-I72 WeakPolarHBondContact O-CG1 3.38Å; Q70-I72 PolarHBondContact O-N 2.87Å
71	S	95.2	Very high	95.6	Very high	36 Å²	36	43.6 Å²	43.6	25%	0.252	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	41.6	-171.8	-56	0	0	0	0	113.1	T16 D67	T16-S71 PolarHBondContact N-O 2.83Å; T16-S71 PolarHBondContact OG1-O 2.77Å; D67-S71 WeakPolarHBondContact O-CA 3.35Å; D67-S71 PolarHBondContact O-N 3.08Å
72	I	97.1	Very high	95.3	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.128	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.4	-178.4	-59.1	177	0	0	0	110.8	C14 A15 R66 D67 Q70 Y74	C14-I72 WeakPolarHBondContact O-CA 3.42Å; A15-I72 HydrophobicContact CB-CG1 4.24Å; R66-I72 WeakPolarHBondContact CA-O 3.07Å; D67-I72 PolarHBondContact N-O 2.78Å; D67-I72 PolarHBondContact O-N 2.77Å; Q70-I72 VanDerWaalsContact C-N 3.26Å; Q70-I72 HydrophobicContact CB-CB 4.43Å; Q70-I72 HydrophobicContact CB-CD1 3.75Å; Q70-I72 HydrophobicContact CB-CG1 3.8Å; Q70-I72 WeakPolarHBondContact O-CG1 3.38Å; Q70-I72 PolarHBondContact O-N 2.87Å; I72-Y74 HydrophobicContact CB-CE2 4.1Å; I72-Y74 HydrophobicContact CG2-CD1 4.05Å; I72-Y74 HydrophobicContact CG2-CD2 4.22Å; I72-Y74 HydrophobicContact CG2-CE1 3.57Å; I72-Y74 HydrophobicContact CG2-CE2 3.74Å; I72-Y74 HydrophobicContact CG2-CG 4.36Å
73	L	97.8	Very high	95.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.2	166.9	-170.2	69.3	0	0	0	110	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.58Å; S13-L73 WeakPolarHBondContact CA-O 3.34Å; C14-L73 HydrophobicContact CB-CB 4.35Å; C14-L73 PolarHBondContact N-O 2.81Å; C14-L73 PolarHBondContact O-N 3.03Å; F21-L73 HydrophobicContact CZ-CB 4.42Å; M26-L73 HydrophobicContact CB-CD1 3.55Å; M26-L73 HydrophobicContact CB-CD2 3.84Å; M26-L73 HydrophobicContact CB-CG 4.22Å; M26-L73 HydrophobicContact CG-CD1 4.39Å; W28-L73 HydrophobicContact CD2-CD2 4.23Å; W28-L73 HydrophobicContact CG-CD2 4.22Å; W28-L73 HydrophobicContact CZ2-CB 4.49Å; W28-L73 HydrophobicContact CZ2-CD2 4.21Å; W28-L73 HydrophobicContact CZ2-CG 4.22Å; I43-L73 HydrophobicContact CG2-CD1 3.58Å; I64-L73 HydrophobicContact CG2-CD1 3.89Å; R66-L73 HydrophobicContact CB-CD1 4.16Å; L73-C90 HydrophobicContact CD2-CB 3.74Å
74	Y	98	Very high	94.9	Very high	37 Å²	37	50.6 Å²	50.6	15%	0.145	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.4	177.1	-60.4	-78.6	0	0	0	111.6	R11 L12 W28 I64 S65 D67 I72	R11-Y74 HydrophobicContact CG-CD1 4.43Å; R11-Y74 VanDerWaalsContact NE-CD1 3.33Å; R11-Y74 VanDerWaalsContact NH2-CG 3.28Å; L12-Y74 VanDerWaalsContact O-CA 3.26Å; L12-Y74 WeakPolarHBondContact O-CA 3.33Å; W28-Y74 PolarHBondContact NE1-O 3.05Å; I64-Y74 WeakPolarHBondContact CA-O 3.26Å; S65-Y74 PolarHBondContact N-O 2.92Å; S65-Y74 VanDerWaalsContact N-O 3.08Å; S65-Y74 PolarHBondContact O-N 3.3Å; S65-Y74 WeakPolarHBondContact OG-CB 3.46Å; D67-Y74 HydrophobicContact CB-CE2 3.91Å; I72-Y74 HydrophobicContact CB-CE2 4.1Å; I72-Y74 HydrophobicContact CG2-CD1 4.05Å; I72-Y74 HydrophobicContact CG2-CD2 4.22Å; I72-Y74 HydrophobicContact CG2-CE1 3.57Å; I72-Y74 HydrophobicContact CG2-CE2 3.74Å; I72-Y74 HydrophobicContact CG2-CG 4.36Å
75	L	98	Very high	94.7	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	108.4	166.3	-171.9	67.4	0	0	0	108.4	R11 L12 W28 L40 F62 I64 M77 Y88	R11-L75 CarbonylContact C-O 3.58Å; R11-L75 WeakPolarHBondContact CA-O 3.36Å; L12-L75 HydrophobicContact CB-CB 4.26Å; L12-L75 HydrophobicContact CD1-CD2 4.35Å; L12-L75 PolarHBondContact N-O 3.04Å; L12-L75 PolarHBondContact O-N 2.89Å; W28-L75 HydrophobicContact CB-CD2 4.44Å; W28-L75 HydrophobicContact CD2-CB 3.85Å; W28-L75 HydrophobicContact CD2-CD2 4.09Å; W28-L75 HydrophobicContact CD2-CG 4.43Å; W28-L75 VanDerWaalsContact CE2-CB 3.48Å; W28-L75 HydrophobicContact CE3-CB 4.47Å; W28-L75 HydrophobicContact CE3-CD2 4.32Å; W28-L75 HydrophobicContact CG-CB 4.18Å; W28-L75 HydrophobicContact CG-CD1 4.13Å; W28-L75 HydrophobicContact CG-CD2 4.15Å; W28-L75 HydrophobicContact CG-CG 4.4Å; W28-L75 HydrophobicContact CH2-CB 4.42Å; W28-L75 HydrophobicContact CZ2-CB 3.8Å; L40-L75 HydrophobicContact CD1-CD2 4.33Å; F62-L75 HydrophobicContact CB-CD1 4.05Å; F62-L75 HydrophobicContact CD2-CD1 4.24Å; F62-L75 HydrophobicContact CD2-CD2 4.11Å; F62-L75 HydrophobicContact CD2-CG 4.38Å; I64-L75 HydrophobicContact CD1-CD1 4.47Å; I64-L75 HydrophobicContact CG1-CD1 3.6Å; L75-M77 HydrophobicContact CD2-CG 3.8Å; L75-M77 HydrophobicContact CD2-SD 4.02Å; L75-M77 HydrophobicContact CG-CG 3.74Å; L75-Y88 HydrophobicContact CD2-CD1 3.94Å; L75-Y88 HydrophobicContact CD2-CE1 4.04Å
76	Q	97.1	Very high	94.6	Very high	65 Å²	65	53.7 Å²	53.7	30%	0.304	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.2	168.4	156.7	139.2	22.2	0	0	107.9	F9 F62 T63 N78	F9-Q76 HydrophobicContact CD2-CG 4.14Å; F9-Q76 HydrophobicContact CE2-CB 4Å; F9-Q76 HydrophobicContact CE2-CG 3.46Å; F9-Q76 VanDerWaalsContact CE2-CG 3.46Å; F9-Q76 HydrophobicContact CZ-CG 4.38Å; F62-Q76 CarbonylContact C-O 3.59Å; F62-Q76 WeakPolarHBondContact CA-O 3.46Å; T63-Q76 PolarHBondContact N-O 2.84Å; T63-Q76 PolarHBondContact O-N 2.95Å; Q76-N78 PolarHBondContact NE2-OD1 3.36Å; Q76-N78 VanDerWaalsContact NE2-OD1 3.08Å
77	M	95.6	Very high	94.6	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	103.2	-176.9	-56.2	169.7	74.1	0	0	108.3	F9 L10 L12 F62 L75 L80 D84 Y88	F9-M77 VanDerWaalsContact CA-O 3.31Å; F9-M77 WeakPolarHBondContact CA-O 3.25Å; F9-M77 WeakPolarHBondContact CD2-O 3.21Å; L10-M77 HydrophobicContact CD2-SD 4.36Å; L10-M77 PolarHBondContact N-O 3.32Å; L10-M77 WeakPolarHBondContact O-CB 3.23Å; L10-M77 PolarHBondContact O-N 3Å; L12-M77 HydrophobicContact CD1-SD 3.81Å; L12-M77 HydrophobicContact CG-SD 3.99Å; F62-M77 HydrophobicContact CD1-CB 3.81Å; F62-M77 HydrophobicContact CD1-CG 4.13Å; F62-M77 HydrophobicContact CD2-CE 4.44Å; F62-M77 HydrophobicContact CD2-CG 4.1Å; F62-M77 HydrophobicContact CE1-CB 3.73Å; F62-M77 HydrophobicContact CE1-CE 4.12Å; F62-M77 HydrophobicContact CE1-CG 4.13Å; F62-M77 HydrophobicContact CE2-CE 3.53Å; F62-M77 HydrophobicContact CE2-CG 4.08Å; F62-M77 HydrophobicContact CG-CB 4.32Å; F62-M77 HydrophobicContact CG-CG 4.16Å; F62-M77 HydrophobicContact CZ-CB 4.14Å; F62-M77 HydrophobicContact CZ-CE 3.36Å; F62-M77 HydrophobicContact CZ-CG 4.12Å; L75-M77 HydrophobicContact CD2-CG 3.8Å; L75-M77 HydrophobicContact CD2-SD 4.02Å; L75-M77 HydrophobicContact CG-CG 3.74Å; M77-L80 HydrophobicContact CB-CD2 3.8Å; M77-L80 HydrophobicContact CB-CG 4.38Å; M77-L80 HydrophobicContact CE-CD2 3.47Å; M77-L80 VanDerWaalsContact CE-CD2 3.47Å; M77-L80 HydrophobicContact SD-CD2 4.28Å; M77-D84 HydrophobicContact CE-CB 4.41Å; M77-Y88 HydrophobicContact CE-CE1 3.6Å; M77-Y88 HydrophobicContact CE-CE2 4.1Å; M77-Y88 WeakPolarHBondContact CE-OH 3.46Å; M77-Y88 HydrophobicContact SD-CE1 4.24Å
78	N	93.3	Very high	94.6	Very high	48 Å²	48	56 Å²	56	26%	0.257	31%	0.313	S	S	.	.			trans	-96.5	153.8	175.7	-48.6	-54.7	0	0	0	109.8	F9 R61 Q76 L80	F9-N78 WeakPolarHBondContact CD2-OD1 3.31Å; R61-N78 WeakPolarHBondContact O-CA 3.48Å; R61-N78 VanDerWaalsContact O-CB 3.26Å; R61-N78 WeakPolarHBondContact O-CB 3.41Å; R61-N78 PolarHBondContact O-N 2.78Å; R61-N78 PolarHBondContact O-ND2 2.95Å; Q76-N78 PolarHBondContact NE2-OD1 3.36Å; Q76-N78 VanDerWaalsContact NE2-OD1 3.08Å; N78-L80 PolarHBondContact O-N 3.11Å
79	T	90.9	Very high	94.7	Very high	86 Å²	86	58.9 Å²	58.9	53%	0.528	32%	0.321	S	S	.	.	S	Bend	trans	53.8	53.9	175.3	-38.5	0	0	0	0	111.5	G8 R61	G8-T79 PolarHBondContact O-N 3.03Å; R61-T79 PolarHBondContact NH1-O 2.98Å
80	L	91.8	Very high	94.7	Very high	18 Å²	18	55.2 Å²	55.2	9%	0.094	30%	0.295	C	S	.	.			trans	-57.9	138.3	180	-77.2	169.5	0	0	0	111.5	V4 G7 G8 L10 F62 M77 N78 D84	V4-L80 HydrophobicContact CB-CD1 4.01Å; V4-L80 HydrophobicContact CG1-CD1 3.87Å; G7-L80 PolarHBondContact N-O 3.32Å; G8-L80 PolarHBondContact O-N 3.39Å; L10-L80 HydrophobicContact CB-CD1 3.84Å; F62-L80 HydrophobicContact CE1-CD2 4.46Å; F62-L80 HydrophobicContact CZ-CD2 4.49Å; M77-L80 HydrophobicContact CB-CD2 3.8Å; M77-L80 HydrophobicContact CB-CG 4.38Å; M77-L80 HydrophobicContact CE-CD2 3.47Å; M77-L80 VanDerWaalsContact CE-CD2 3.47Å; M77-L80 HydrophobicContact SD-CD2 4.28Å; N78-L80 PolarHBondContact O-N 3.11Å; L80-D84 HydrophobicContact CD2-CB 4.17Å
81	R	92.6	Very high	94.6	Very high	127 Å²	127	51.4 Å²	51.4	48%	0.479	28%	0.283	S	S	.	.			trans	-113	159.4	174.7	-60.4	175.9	-177.5	176.1	-0.9	109.3	E83 D84	R81-E83 PolarHBondContact O-N 3.39Å; R81-D84 PolarHBondContact N-OD2 3.23Å; R81-D84 WeakPolarHBondContact O-CB 3.25Å; R81-D84 PolarHBondContact O-N 3.05Å
82	A	90.4	Very high	94.3	Very high	81 Å²	81	51.9 Å²	51.9	67%	0.669	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-57.3	-34.1	174.5	0	0	0	0	0	112	D84 S85	A82-D84 PolarHBondContact O-N 3.3Å; A82-S85 VanDerWaalsContact O-CB 3.31Å; A82-S85 WeakPolarHBondContact O-CB 3.25Å; A82-S85 PolarHBondContact O-N 2.85Å; A82-S85 VanDerWaalsContact O-N 3.13Å
83	E	91.1	Very high	93.1	Very high	148 Å²	148	53.1 Å²	53.1	69%	0.692	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-63.2	-18.9	175.6	-61.9	164.6	-127.5	0	0	113.8	R81 S85	R81-E83 PolarHBondContact O-N 3.39Å; E83-S85 PolarHBondContact O-N 3.39Å
84	D	93.7	Very high	91.5	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.043	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-81.8	-0.2	177.2	-58.3	-46.5	0	0	0	112.5	R30 R61 F62 M77 L80 R81 A82 A86 Y88	R30-D84 IonicContact NH1-OD1 2.91Å; R30-D84 PolarHBondContact NH1-OD1 2.98Å; R61-D84 IonicContact CZ-OD1 3.49Å; R61-D84 IonicContact CZ-OD2 3.83Å; R61-D84 IonicContact NH1-OD1 2.7Å; R61-D84 IonicContact NH1-OD2 2.89Å; R61-D84 PolarHBondContact NH1-OD2 2.86Å; R61-D84 IonicContact NH2-OD1 3.36Å; R61-D84 PolarHBondContact NH2-OD1 3.49Å; R61-D84 IonicContact NH2-OD2 3.9Å; R61-D84 PolarHBondContact NH2-OD2 2.81Å; F62-D84 HydrophobicContact CZ-CB 4.23Å; M77-D84 HydrophobicContact CE-CB 4.41Å; L80-D84 HydrophobicContact CD2-CB 4.17Å; R81-D84 PolarHBondContact N-OD2 3.23Å; R81-D84 WeakPolarHBondContact O-CB 3.25Å; R81-D84 PolarHBondContact O-N 3.05Å; A82-D84 PolarHBondContact O-N 3.3Å; D84-A86 PolarHBondContact O-N 3.17Å; D84-A86 VanDerWaalsContact O-N 3.16Å; D84-Y88 WeakPolarHBondContact O-CE2 3.47Å; D84-Y88 PolarHBondContact O-OH 3.21Å
85	S	93.8	Very high	89.2	Confident	89 Å²	89	65.4 Å²	65.4	62%	0.622	34%	0.34	S	S	*	.			trans	-70.4	107.8	174.9	-169.4	0	0	0	0	111	A82 E83	A82-S85 VanDerWaalsContact O-CB 3.31Å; A82-S85 WeakPolarHBondContact O-CB 3.25Å; A82-S85 PolarHBondContact O-N 2.85Å; A82-S85 VanDerWaalsContact O-N 3.13Å; E83-S85 PolarHBondContact O-N 3.39Å
86	A	95.4	Very high	87	Confident	24 Å²	24	74.2 Å²	74.2	20%	0.198	38%	0.375	C	S	.	.	S	Bend	trans	-161.4	167.9	-175.8	0	0	0	0	0	110.4	R30 Q31 P32 D84 Y88	R30-A86 HydrophobicContact CB-CB 3.87Å; R30-A86 HydrophobicContact CG-CB 4.24Å; Q31-A86 WeakPolarHBondContact O-CB 3.42Å; P32-A86 HydrophobicContact CG-CB 4.44Å; D84-A86 PolarHBondContact O-N 3.17Å; D84-A86 VanDerWaalsContact O-N 3.16Å; A86-Y88 HydrophobicContact CB-CD2 4.49Å; A86-Y88 HydrophobicContact CB-CE2 3.97Å; A86-Y88 WeakPolarHBondContact O-CD2 3.33Å; A86-Y88 WeakPolarHBondContact O-CE2 3.26Å
87	T	96.4	Very high	84.9	Confident	77 Å²	77	73.4 Å²	73.4	47%	0.472	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.9	162.4	-54.3	0	0	0	0	109.1	R30 Q31 Y89	R30-T87 CarbonylContact C-O 3.47Å; R30-T87 VanDerWaalsContact CA-O 3.22Å; R30-T87 WeakPolarHBondContact CA-O 3.3Å; Q31-T87 PolarHBondContact N-O 3.44Å; Q31-T87 PolarHBondContact O-N 3.04Å; T87-Y89 HydrophobicContact CG2-CE1 3.91Å; T87-Y89 HydrophobicContact CG2-CE2 3.69Å; T87-Y89 VanDerWaalsContact CG2-OH 3.23Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.24Å
88	Y	96.4	Very high	82.7	Confident	43 Å²	43	75.9 Å²	75.9	17%	0.169	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.2	-177.3	-72.5	-104	0	0	0	110.7	L12 R30 L40 F62 L75 M77 D84 A86	L12-Y88 HydrophobicContact CD1-CD1 3.8Å; L12-Y88 HydrophobicContact CD1-CD2 4.04Å; L12-Y88 HydrophobicContact CD1-CG 3.54Å; R30-Y88 HydrophobicContact CB-CD1 4.03Å; R30-Y88 HydrophobicContact CB-CE1 3.97Å; R30-Y88 HydrophobicContact CB-CG 4.36Å; L40-Y88 HydrophobicContact CD1-CD1 3.83Å; L40-Y88 HydrophobicContact CD1-CE1 3.46Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.46Å; F62-Y88 HydrophobicContact CE2-CE1 4.49Å; L75-Y88 HydrophobicContact CD2-CD1 3.94Å; L75-Y88 HydrophobicContact CD2-CE1 4.04Å; M77-Y88 HydrophobicContact CE-CE1 3.6Å; M77-Y88 HydrophobicContact CE-CE2 4.1Å; M77-Y88 WeakPolarHBondContact CE-OH 3.46Å; M77-Y88 HydrophobicContact SD-CE1 4.24Å; D84-Y88 WeakPolarHBondContact O-CE2 3.47Å; D84-Y88 PolarHBondContact O-OH 3.21Å; A86-Y88 HydrophobicContact CB-CD2 4.49Å; A86-Y88 HydrophobicContact CB-CE2 3.97Å; A86-Y88 WeakPolarHBondContact O-CD2 3.33Å; A86-Y88 WeakPolarHBondContact O-CE2 3.26Å
89	Y	95.3	Very high	80	Confident	100 Å²	100	80.2 Å²	80.2	39%	0.392	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143	-177.8	-54.4	-85.8	0	0	0	109.8	W28 V29 Q31 L37 T87	W28-Y89 WeakPolarHBondContact CA-O 3.23Å; V29-Y89 PolarHBondContact N-O 3.22Å; V29-Y89 PolarHBondContact O-N 3.08Å; Q31-Y89 HydrophobicContact CB-CE2 3.89Å; L37-Y89 HydrophobicContact CD2-CD2 4.08Å; L37-Y89 HydrophobicContact CD2-CE2 4.16Å; T87-Y89 HydrophobicContact CG2-CE1 3.91Å; T87-Y89 HydrophobicContact CG2-CE2 3.69Å; T87-Y89 VanDerWaalsContact CG2-OH 3.23Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.24Å
90	C	94.5	Very high	77.7	Confident	29 Å²	29	90 Å²	90	20%	0.196	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	146.9	163	77.1	0	0	0	0	110.2	C14 S27 L73	C14-C90 HydrophobicContact CB-CB 3.45Å; C14-C90 VanDerWaalsContact CB-CB 3.45Å; C14-C90 WeakPolarHBondContact CB-SG 3.49Å; C14-C90 WeakPolarHBondContact SG-CB 3.47Å; C14-C90 CovalentContact SG-SG 2.02Å; C14-C90 PolarHBondContact SG-SG 3.04Å; S27-C90 CarbonylContact O-C 3.48Å; S27-C90 VanDerWaalsContact O-CA 3.28Å; S27-C90 WeakPolarHBondContact O-CA 3.34Å; L73-C90 HydrophobicContact CD2-CB 3.74Å
91	A	92.1	Very high	77	Confident	34 Å²	34	93.6 Å²	93.6	28%	0.281	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.1	178.4	0	0	0	0	0	110.3	S27	S27-A91 PolarHBondContact N-O 2.87Å; S27-A91 PolarHBondContact O-N 3.22Å
92	S	89	Confident	76.2	Confident	47 Å²	47	91.8 Å²	91.8	33%	0.329	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.6	164.1	53	0	0	0	0	108.4	Y25	Y25-S92 WeakPolarHBondContact O-CA 3.36Å
93	L	71.9	Confident	75.4	Confident	51 Å²	51	92.4 Å²	92.4	27%	0.267	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.3	173.3	-70.9	176.8	0	0	0	108.6	Y25 S27 A97	Y25-L93 PolarHBondContact O-N 3.5Å; Y25-L93 VanDerWaalsContact O-N 3.14Å; S27-L93 WeakPolarHBondContact OG-CD1 3.2Å; L93-A97 HydrophobicContact CD2-CB 4.33Å
94	W	64.8	Low	74.5	Confident	159 Å²	159	89.2 Å²	89.2	60%	0.602	43%	0.434	S	S	*	.			trans	-75.8	151.7	170.7	-72.2	95.5	0	0	0	110.3	Y24 Y96 A97	Y24-W94 HydrophobicContact CD1-CD2 4.31Å; Y24-W94 HydrophobicContact CD1-CZ2 4.32Å; Y24-W94 AromaticContact CE1-CD2 3.93Å; Y24-W94 HydrophobicContact CE1-CD2 3.93Å; Y24-W94 AromaticContact CE1-CE2 3.23Å; Y24-W94 AromaticContact CE1-CH2 3.96Å; Y24-W94 HydrophobicContact CE1-CH2 3.96Å; Y24-W94 AromaticContact CE1-CZ2 3.29Å; Y24-W94 HydrophobicContact CE1-CZ2 3.29Å; Y24-W94 AromaticContact CE1-NE1 3.42Å; Y24-W94 HydrophobicContact CE2-CH2 4.43Å; Y24-W94 HydrophobicContact CE2-CZ2 4.37Å; Y24-W94 AromaticContact CZ-CE2 3.8Å; Y24-W94 AromaticContact CZ-CH2 3.75Å; Y24-W94 AromaticContact CZ-CZ2 3.31Å; Y24-W94 WeakPolarHBondContact OH-CZ2 3.33Å; W94-Y96 PolarHBondContact O-N 3.34Å; W94-A97 WeakPolarHBondContact O-CB 3.41Å; W94-A97 PolarHBondContact O-N 2.62Å
95	Y	48.4	Very low	73.3	Confident	136 Å²	136	94.3 Å²	94.3	53%	0.533	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-46.6	-35.5	178.9	172.3	-101.6	0	0	0	114.2	Y25	Y25-Y95 HydrophobicContact CE2-CD2 4.29Å
96	Y	51.8	Low	71.9	Confident	187 Å²	187	94.6 Å²	94.6	73%	0.733	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-81.7	-9.3	-179.7	-61.8	-74.5	0	0	0	115.5	W94 M98	W94-Y96 PolarHBondContact O-N 3.34Å; Y96-M98 VanDerWaalsContact C-N 3.3Å
97	A	52.8	Low	70.2	Confident	47 Å²	47	99.6 Å²	99.6	39%	0.388	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-88.3	2	179.5	0	0	0	0	0	113	L93 W94	L93-A97 HydrophobicContact CD2-CB 4.33Å; W94-A97 WeakPolarHBondContact O-CB 3.41Å; W94-A97 PolarHBondContact O-N 2.62Å
98	M	50.1	Low	68.2	Low	54 Å²	54	101.4 Å²	101.4	27%	0.266	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-108	3.7	-178.1	-61.8	-153.8	-61.6	0	0	114.2	Y25 F42 Y96 Y100	Y25-M98 HydrophobicContact CD2-CE 3.85Å; Y25-M98 HydrophobicContact CE2-CE 4.23Å; F42-M98 HydrophobicContact CD1-CE 3.69Å; F42-M98 HydrophobicContact CD1-SD 3.38Å; F42-M98 WeakPolarHBondContact CD1-SD 3.46Å; F42-M98 HydrophobicContact CD2-CE 4.39Å; F42-M98 HydrophobicContact CE1-CE 3.26Å; F42-M98 HydrophobicContact CE1-SD 3.42Å; F42-M98 WeakPolarHBondContact CE1-SD 3.39Å; F42-M98 HydrophobicContact CE2-CE 4.01Å; F42-M98 HydrophobicContact CG-CE 4.27Å; F42-M98 HydrophobicContact CG-SD 4.21Å; F42-M98 HydrophobicContact CZ-CE 3.43Å; F42-M98 VanDerWaalsContact CZ-CE 3.43Å; F42-M98 HydrophobicContact CZ-SD 4.21Å; Y96-M98 VanDerWaalsContact C-N 3.3Å; M98-Y100 PolarHBondContact O-N 2.79Å
99	D	37.7	Very low	65.9	Low	139 Å²	139	106.3 Å²	106.3	74%	0.743	49%	0.49	S	S	*	.			trans	-84.5	91.3	163	-65.4	-33.3	0	0	0	107.7
100	Y	41.9	Very low	63.2	Low	292 Å²	292	106.8 Å²	106.8	100%	1.145	50%	0.499	S	S	*	.			trans	-102.4	0	165.7	-96.3	-86.2	0	0	0	109.8	M98	M98-Y100 PolarHBondContact O-N 2.79Å

Retrieved 100 of 100 residues in 28.3 ms (Link to these results)

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