X5J4V0_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4V0, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 108 aa.

						>X5J4V0_MOUSE|X5J4V0|Ighv7-3
GGLVQPGGSLRLSCATSGFTFTDYYMSWVRQPPGKALEWLGFIRNKANGYTTEYSASVKGRFTISRDNSQSILYLQMNTLRAEDSATYYCASNWYYAMDYWGQGTSVT
					

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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	51	Low	75.6	Confident	93 Å²	93	81.5 Å²	81.5	96%	0.959	52%	0.518	S	S	*	.				0	147.4	0	0	0	0	0	0	109.1	S106	G1-S106 WeakPolarHBondContact CA-O 3.44Å
2	G	61.7	Low	77.3	Confident	28 Å²	28	75.8 Å²	75.8	29%	0.289	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-104.5	131.7	176.3	0	0	0	0	0	110
3	L	66.8	Low	78.7	Confident	157 Å²	157	75.7 Å²	75.7	82%	0.822	48%	0.483	S	S	*	.			trans	-79.5	120.9	168.9	-171.3	109	0	0	0	107.9	T108	L3-T108 WeakPolarHBondContact CA-O 3.39Å
4	V	67.8	Low	79.9	Confident	27 Å²	27	71.1 Å²	71.1	16%	0.164	46%	0.455	C	S	.	.			trans	-126.3	132.5	-178.5	-170.9	0	0	0	0	110.1	L10 L80 T108	V4-L10 HydrophobicContact CG2-CB 4.11Å; V4-L10 HydrophobicContact CG2-CD1 4.23Å; V4-L10 HydrophobicContact CG2-CD2 4Å; V4-L10 HydrophobicContact CG2-CG 4.34Å; V4-L80 HydrophobicContact CB-CD1 4.08Å; V4-L80 HydrophobicContact CG1-CD1 3.79Å; V4-L80 HydrophobicContact CG2-CD1 4.36Å; V4-T108 PolarHBondContact N-O 2.64Å
5	Q	72.8	Confident	80.7	Confident	161 Å²	161	71.8 Å²	71.8	75%	0.752	47%	0.469	S	S	*	.			trans	-65.4	145.6	175	-68.7	-173.7	-4	0	0	110.7	G7 G8	Q5-G7 PolarHBondContact O-N 3.23Å; Q5-G8 WeakPolarHBondContact O-CA 3.37Å; Q5-G8 PolarHBondContact O-N 3.03Å
6	P	70.6	Confident	81.2	Confident	112 Å²	112	69 Å²	69	73%	0.727	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	135.1	171.2	-25.7	34.1	0	0	0	111.5	G8	P6-G8 VanDerWaalsContact C-N 3.26Å; P6-G8 PolarHBondContact O-N 3.3Å
7	G	75.1	Confident	81.5	Confident	54 Å²	54	71.3 Å²	71.3	56%	0.557	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-9.6	-174	0	0	0	0	0	114.8	Q5 L80	Q5-G7 PolarHBondContact O-N 3.23Å; G7-L80 PolarHBondContact N-O 3.39Å
8	G	86.3	Confident	81.7	Confident	23 Å²	23	71.3 Å²	71.3	24%	0.237	48%	0.483	C	S	.	.			trans	-70.7	173.6	174.8	0	0	0	0	0	113.8	Q5 P6 T79 L80	Q5-G8 WeakPolarHBondContact O-CA 3.37Å; Q5-G8 PolarHBondContact O-N 3.03Å; P6-G8 VanDerWaalsContact C-N 3.26Å; P6-G8 PolarHBondContact O-N 3.3Å; G8-T79 PolarHBondContact O-N 2.87Å; G8-L80 PolarHBondContact O-N 3.06Å
9	S	91.1	Very high	81.9	Confident	69 Å²	69	69.3 Å²	69.3	48%	0.483	47%	0.465	S	S	.	.			trans	-120.3	144.9	174.3	-62.5	0	0	0	0	110.9	M77 N78	S9-M77 CarbonylContact C-O 3.6Å; S9-M77 WeakPolarHBondContact CA-O 3.47Å; S9-M77 WeakPolarHBondContact CB-O 3.02Å; S9-N78 WeakPolarHBondContact OG-CA 3.34Å; S9-N78 PolarHBondContact OG-OD1 2.89Å; S9-N78 VanDerWaalsContact OG-OD1 3.13Å
10	L	93.1	Very high	82.3	Confident	38 Å²	38	69.8 Å²	69.8	20%	0.199	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.6	175.6	-177.1	62.4	0	0	0	109.5	V4 L12 M77 L80 V107	V4-L10 HydrophobicContact CG2-CB 4.11Å; V4-L10 HydrophobicContact CG2-CD1 4.23Å; V4-L10 HydrophobicContact CG2-CD2 4Å; V4-L10 HydrophobicContact CG2-CG 4.34Å; L10-L12 HydrophobicContact CD2-CD2 3.64Å; L10-L12 HydrophobicContact CD2-CG 4.47Å; L10-L12 HydrophobicContact CG-CD2 4.06Å; L10-M77 HydrophobicContact CB-CE 3.8Å; L10-M77 HydrophobicContact CD2-CE 3.73Å; L10-M77 HydrophobicContact CG-CE 4.1Å; L10-M77 PolarHBondContact N-O 3.42Å; L10-M77 PolarHBondContact O-N 2.79Å; L10-L80 HydrophobicContact CB-CD1 3.85Å; L10-V107 HydrophobicContact CD2-CG1 3.9Å; L10-V107 HydrophobicContact CD2-CG2 3.89Å
11	R	95.4	Very high	82.7	Confident	135 Å²	135	66.7 Å²	66.7	51%	0.509	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.7	169.4	-168.2	174.4	175.8	179.7	-1.8	109.6	Y74 L75	R11-Y74 HydrophobicContact CG-CD1 4.46Å; R11-Y74 VanDerWaalsContact NH2-CG 3.31Å; R11-L75 WeakPolarHBondContact CA-O 3.08Å
12	L	96	Very high	84.7	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.063	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	147.5	169.9	-56.1	-178.2	0	0	0	109.8	L10 W28 Y74 L75 M77 Y88 T105 V107	L10-L12 HydrophobicContact CD2-CD2 3.64Å; L10-L12 HydrophobicContact CD2-CG 4.47Å; L10-L12 HydrophobicContact CG-CD2 4.06Å; L12-W28 HydrophobicContact CB-CH2 3.81Å; L12-W28 HydrophobicContact CB-CZ2 4.25Å; L12-W28 HydrophobicContact CB-CZ3 4.38Å; L12-W28 HydrophobicContact CD1-CH2 4.46Å; L12-W28 HydrophobicContact CD1-CZ3 4.2Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.39Å; L12-L75 HydrophobicContact CB-CB 4.26Å; L12-L75 HydrophobicContact CD1-CD2 4.37Å; L12-L75 PolarHBondContact N-O 2.78Å; L12-L75 PolarHBondContact O-N 2.95Å; L12-M77 HydrophobicContact CD1-CE 4.21Å; L12-M77 HydrophobicContact CD1-SD 4.18Å; L12-M77 HydrophobicContact CG-CE 4.18Å; L12-Y88 HydrophobicContact CD1-CD1 3.91Å; L12-Y88 HydrophobicContact CD1-CD2 4.2Å; L12-Y88 HydrophobicContact CD1-CG 3.64Å; L12-T105 HydrophobicContact CD2-CG2 4.27Å; L12-V107 HydrophobicContact CD1-CG2 4.08Å; L12-V107 HydrophobicContact CD2-CG2 3.92Å
13	S	96.2	Very high	86	Confident	75 Å²	75	67 Å²	67	52%	0.524	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.1	169	58	0	0	0	0	109.6	L73	S13-L73 CarbonylContact C-O 3.5Å; S13-L73 WeakPolarHBondContact CA-O 3.19Å
14	C	94.8	Very high	87.2	Confident	12 Å²	12	61.6 Å²	61.6	8%	0.081	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	110.3	170.9	160.7	0	0	0	0	108.5	T16 W28 I72 L73 C90	C14-T16 VanDerWaalsContact SG-CG2 3.58Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.11Å; C14-I72 CarbonylContact O-C 3.53Å; C14-I72 WeakPolarHBondContact O-CA 3.44Å; C14-L73 HydrophobicContact CB-CB 4.44Å; C14-L73 PolarHBondContact N-O 2.84Å; C14-L73 PolarHBondContact O-N 2.77Å; C14-C90 HydrophobicContact CB-CB 3.44Å; C14-C90 VanDerWaalsContact CB-CB 3.44Å; C14-C90 WeakPolarHBondContact CB-SG 3.4Å; C14-C90 WeakPolarHBondContact SG-CB 3.39Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 3.14Å
15	A	92.7	Very high	88.5	Confident	81 Å²	81	63.2 Å²	63.2	67%	0.669	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.2	168.1	0	0	0	0	0	109.1	I72	A15-I72 HydrophobicContact CB-CG1 4.25Å
16	T	87.3	Confident	89.6	Confident	27 Å²	27	55.6 Å²	55.6	17%	0.166	36%	0.357	C	S	.	.			trans	-123	151.8	-179	59.5	0	0	0	0	110.6	C14 F19 F21 M26 S71	C14-T16 VanDerWaalsContact SG-CG2 3.58Å; T16-F19 HydrophobicContact CG2-CE1 4.36Å; T16-F19 HydrophobicContact CG2-CZ 4.1Å; T16-F21 HydrophobicContact CG2-CE2 4.49Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.38Å; T16-M26 HydrophobicContact CG2-CE 4.01Å; T16-S71 PolarHBondContact N-O 2.84Å; T16-S71 PolarHBondContact OG1-O 2.78Å
17	S	86.3	Confident	90.8	Very high	108 Å²	108	50.2 Å²	50.2	76%	0.755	32%	0.322	S	S	*	.			trans	-150.5	164.6	177.4	60.4	0	0	0	0	109.6
18	G	85.2	Confident	91.8	Very high	71 Å²	71	47.9 Å²	47.9	73%	0.732	30%	0.297	S	S	*	.	S	Bend	trans	90.4	-0.5	178	0	0	0	0	0	115.7
19	F	86.4	Confident	92.3	Very high	33 Å²	33	47 Å²	47	15%	0.145	29%	0.287	C	S	.	.	S	Bend	trans	-150.5	164.3	173.2	63.9	-83.4	0	0	0	111.2	T16 F21 Y24 M26 Y100	T16-F19 HydrophobicContact CG2-CE1 4.36Å; T16-F19 HydrophobicContact CG2-CZ 4.1Å; F19-F21 HydrophobicContact CE2-CB 4.32Å; F19-F21 HydrophobicContact CE2-CD2 4.14Å; F19-F21 HydrophobicContact CZ-CD2 4.24Å; F19-F21 PolarHBondContact O-N 3.19Å; F19-Y24 HydrophobicContact CB-CE2 4.23Å; F19-Y24 HydrophobicContact CD2-CD1 4.37Å; F19-Y24 AromaticContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CE2 4Å; F19-Y24 AromaticContact CD2-CG 3.82Å; F19-Y24 HydrophobicContact CD2-CG 3.82Å; F19-Y24 HydrophobicContact CE2-CD2 4.26Å; F19-Y24 HydrophobicContact CE2-CG 4.09Å; F19-M26 HydrophobicContact CE2-SD 3.94Å; F19-M26 HydrophobicContact CZ-CE 4.1Å; F19-M26 HydrophobicContact CZ-SD 4.01Å; F19-Y100 HydrophobicContact CB-CD2 4.34Å; F19-Y100 HydrophobicContact CB-CE2 4.03Å; F19-Y100 HydrophobicContact CD1-CD1 4.28Å; F19-Y100 AromaticContact CD1-CD2 3.84Å; F19-Y100 HydrophobicContact CD1-CD2 3.84Å; F19-Y100 HydrophobicContact CD1-CE2 4.32Å; F19-Y100 AromaticContact CD1-CG 3.84Å; F19-Y100 HydrophobicContact CD1-CG 3.84Å; F19-Y100 HydrophobicContact CE1-CD2 4.37Å; F19-Y100 HydrophobicContact CE1-CG 4.16Å; F19-Y100 HydrophobicContact CG-CD2 4.12Å; F19-Y100 HydrophobicContact CG-CE2 4.32Å
20	T	90.1	Very high	92.6	Very high	80 Å²	80	44.4 Å²	44.4	49%	0.491	27%	0.266	S	S	.	.			trans	-75.5	86.2	177.1	-50.4	0	0	0	0	110.3	T22 D23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.33Å; T20-T22 PolarHBondContact O-N 3.23Å; T20-D23 WeakPolarHBondContact CB-OD2 3.4Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.47Å; T20-D23 PolarHBondContact O-N 2.69Å; T20-Y24 VanDerWaalsContact O-CD2 3.32Å; T20-Y24 WeakPolarHBondContact O-CD2 3.49Å
21	F	90.6	Very high	92.7	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.018	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-39.5	-174.7	-179.3	-102.8	0	0	0	113.9	T16 F19 D23 Y24 M26 R66 N68 L73	T16-F21 HydrophobicContact CG2-CE2 4.49Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.38Å; F19-F21 HydrophobicContact CE2-CB 4.32Å; F19-F21 HydrophobicContact CE2-CD2 4.14Å; F19-F21 HydrophobicContact CZ-CD2 4.24Å; F19-F21 PolarHBondContact O-N 3.19Å; F21-D23 PolarHBondContact O-N 3.12Å; F21-Y24 PolarHBondContact O-N 3.21Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CD2-CG 4.14Å; F21-M26 HydrophobicContact CD2-SD 3.88Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.76Å; F21-M26 HydrophobicContact CZ-CG 4Å; F21-R66 VanDerWaalsContact CD1-NH2 3.35Å; F21-R66 HydrophobicContact CE1-CB 4.11Å; F21-R66 HydrophobicContact CZ-CB 4.04Å; F21-R66 PolarHBondContact O-NH2 3.22Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.26Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.48Å; F21-L73 HydrophobicContact CE2-CB 4.49Å; F21-L73 HydrophobicContact CZ-CB 4.44Å
22	T	92.3	Very high	92.7	Very high	55 Å²	55	40.6 Å²	40.6	34%	0.337	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.1	-178	53.7	0	0	0	0	114.6	T20 N45 N68	T20-T22 WeakPolarHBondContact CG2-OG1 3.33Å; T20-T22 PolarHBondContact O-N 3.23Å; T22-N45 VanDerWaalsContact O-CB 3.29Å; T22-N45 WeakPolarHBondContact O-CB 3.34Å; T22-N68 HydrophobicContact CG2-CB 3.89Å
23	D	90.4	Very high	92.6	Very high	74 Å²	74	45 Å²	45	40%	0.396	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-25.2	-172	-58.6	-13.4	0	0	0	111	T20 F21 N45 W94	T20-D23 WeakPolarHBondContact CB-OD2 3.4Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.47Å; T20-D23 PolarHBondContact O-N 2.69Å; F21-D23 PolarHBondContact O-N 3.12Å; D23-N45 PolarHBondContact O-ND2 3.06Å; D23-W94 HydrophobicContact CB-CZ3 4.18Å; D23-W94 WeakPolarHBondContact O-CZ3 3.22Å
24	Y	91.8	Very high	92.6	Very high	42 Å²	42	46 Å²	46	17%	0.165	31%	0.306	C	S	.	.	S	Bend	trans	-88.5	149.1	-174.1	-72.7	-109.3	0	0	0	112	F19 T20 F21 R66 W94	F19-Y24 HydrophobicContact CB-CE2 4.23Å; F19-Y24 HydrophobicContact CD2-CD1 4.37Å; F19-Y24 AromaticContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CE2 4Å; F19-Y24 AromaticContact CD2-CG 3.82Å; F19-Y24 HydrophobicContact CD2-CG 3.82Å; F19-Y24 HydrophobicContact CE2-CD2 4.26Å; F19-Y24 HydrophobicContact CE2-CG 4.09Å; T20-Y24 VanDerWaalsContact O-CD2 3.32Å; T20-Y24 WeakPolarHBondContact O-CD2 3.49Å; F21-Y24 PolarHBondContact O-N 3.21Å; Y24-R66 PolarHBondContact O-NH1 3.32Å; Y24-W94 HydrophobicContact CD1-CB 3.73Å; Y24-W94 HydrophobicContact CD1-CE3 4.2Å; Y24-W94 HydrophobicContact CD1-CG 4.43Å; Y24-W94 HydrophobicContact CD2-CE3 4.4Å; Y24-W94 HydrophobicContact CE1-CB 3.52Å; Y24-W94 HydrophobicContact CE1-CD2 4.25Å; Y24-W94 HydrophobicContact CE1-CE3 4.26Å; Y24-W94 AromaticContact CE1-CG 3.99Å; Y24-W94 HydrophobicContact CE1-CG 3.99Å; Y24-W94 HydrophobicContact CE2-CE3 4.43Å; Y24-W94 HydrophobicContact CG-CE3 4.29Å
25	Y	94.2	Very high	92.6	Very high	61 Å²	61	52.2 Å²	52.2	24%	0.239	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	152	160	-61.8	-3.8	0	0	0	108.1	I43 R44 N45 N48 S92 N93	Y25-I43 WeakPolarHBondContact CA-O 3.26Å; Y25-R44 HydrophobicContact CD1-CB 3.87Å; Y25-R44 HydrophobicContact CD1-CG 4.24Å; Y25-R44 HydrophobicContact CD2-CG 4.19Å; Y25-R44 HydrophobicContact CE1-CB 3.67Å; Y25-R44 HydrophobicContact CE1-CG 3.98Å; Y25-R44 HydrophobicContact CE2-CG 3.95Å; Y25-R44 HydrophobicContact CG-CB 4.37Å; Y25-R44 HydrophobicContact CG-CG 4.34Å; Y25-N45 HydrophobicContact CD1-CB 4.13Å; Y25-N45 VanDerWaalsContact CD1-N 3.29Å; Y25-N45 HydrophobicContact CE1-CB 4.29Å; Y25-N48 HydrophobicContact CE1-CB 4.36Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.35Å; Y25-N48 VanDerWaalsContact OH-CG 3.25Å; Y25-N48 PolarHBondContact OH-OD1 3.07Å; Y25-S92 CarbonylContact O-C 3.48Å; Y25-N93 PolarHBondContact N-O 3.44Å; Y25-N93 VanDerWaalsContact N-O 3.12Å; Y25-N93 PolarHBondContact O-N 3.03Å
26	M	95.1	Very high	92.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.9	-177	-63.4	-56.3	-53.6	0	0	109.5	T16 F19 F21 F42 I43 L73	T16-M26 HydrophobicContact CG2-CE 4.01Å; F19-M26 HydrophobicContact CE2-SD 3.94Å; F19-M26 HydrophobicContact CZ-CE 4.1Å; F19-M26 HydrophobicContact CZ-SD 4.01Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CD2-CG 4.14Å; F21-M26 HydrophobicContact CD2-SD 3.88Å; F21-M26 HydrophobicContact CE2-CE 3.93Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.76Å; F21-M26 HydrophobicContact CZ-CG 4Å; M26-F42 CarbonylContact O-C 3.58Å; M26-F42 WeakPolarHBondContact O-CA 2.98Å; M26-F42 WeakPolarHBondContact O-CB 3.34Å; M26-I43 HydrophobicContact CB-CG2 4.01Å; M26-I43 PolarHBondContact N-O 3.39Å; M26-I43 PolarHBondContact O-N 2.82Å; M26-L73 HydrophobicContact CB-CD1 3.52Å; M26-L73 HydrophobicContact CB-CD2 3.83Å; M26-L73 HydrophobicContact CB-CG 4.2Å; M26-L73 HydrophobicContact CE-CD2 4.46Å; M26-L73 HydrophobicContact CG-CD1 4.33Å
27	S	95.8	Very high	93.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	152.2	-175.5	-57.5	0	0	0	0	111.4	G41 F42 C90 A91 M98	S27-G41 CarbonylContact C-O 3.59Å; S27-G41 VanDerWaalsContact CA-O 3.26Å; S27-G41 WeakPolarHBondContact CA-O 3.35Å; S27-F42 WeakPolarHBondContact OG-CB 3.49Å; S27-C90 CarbonylContact O-C 3.47Å; S27-C90 VanDerWaalsContact O-CA 3.31Å; S27-C90 WeakPolarHBondContact O-CA 3.41Å; S27-A91 PolarHBondContact N-O 3.07Å; S27-A91 PolarHBondContact O-N 2.88Å; S27-M98 VanDerWaalsContact CB-CE 3.41Å; S27-M98 WeakPolarHBondContact OG-CE 3.43Å
28	W	97	Very high	93.5	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.015	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.8	162.1	-78.1	96.7	0	0	0	109.8	L12 C14 L40 G41 L73 Y74 L75 Y89 C90	L12-W28 HydrophobicContact CB-CH2 3.81Å; L12-W28 HydrophobicContact CB-CZ2 4.25Å; L12-W28 HydrophobicContact CB-CZ3 4.38Å; L12-W28 HydrophobicContact CD1-CH2 4.46Å; L12-W28 HydrophobicContact CD1-CZ3 4.2Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.11Å; W28-L40 HydrophobicContact CB-CB 4.24Å; W28-L40 HydrophobicContact CB-CD1 4.46Å; W28-L40 WeakPolarHBondContact O-CB 3.41Å; W28-L40 PolarHBondContact O-N 2.91Å; W28-G41 PolarHBondContact N-O 3.08Å; W28-L73 HydrophobicContact CD2-CD2 4.31Å; W28-L73 HydrophobicContact CG-CD2 4.29Å; W28-L73 HydrophobicContact CZ2-CD2 4.26Å; W28-L73 HydrophobicContact CZ2-CG 4.33Å; W28-L73 VanDerWaalsContact NE1-CD2 3.25Å; W28-Y74 PolarHBondContact NE1-O 2.99Å; W28-L75 HydrophobicContact CB-CD2 4.38Å; W28-L75 HydrophobicContact CD2-CB 3.92Å; W28-L75 HydrophobicContact CD2-CD2 4.06Å; W28-L75 HydrophobicContact CD2-CG 4.48Å; W28-L75 HydrophobicContact CE3-CD2 4.34Å; W28-L75 HydrophobicContact CG-CB 4.17Å; W28-L75 HydrophobicContact CG-CD1 4.17Å; W28-L75 HydrophobicContact CG-CD2 4.08Å; W28-L75 HydrophobicContact CG-CG 4.39Å; W28-L75 HydrophobicContact CZ2-CB 3.93Å; W28-Y89 WeakPolarHBondContact CA-O 3.37Å; W28-Y89 VanDerWaalsContact CE3-O 3.31Å; W28-C90 HydrophobicContact CH2-CB 4.47Å; W28-C90 HydrophobicContact CZ3-CB 4.45Å
29	V	96.5	Very high	94	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145	177.3	-177.5	0	0	0	0	107	L37 E38 Y88 Y89 M98 W101	V29-L37 HydrophobicContact CG1-CB 3.84Å; V29-L37 HydrophobicContact CG1-CD2 3.73Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.5Å; V29-Y88 CarbonylContact O-C 3.59Å; V29-Y89 PolarHBondContact N-O 3.08Å; V29-Y89 PolarHBondContact O-N 3.43Å; V29-M98 HydrophobicContact CG2-CE 3.82Å; V29-M98 HydrophobicContact CG2-SD 4.37Å; V29-W101 HydrophobicContact CB-CH2 4.16Å; V29-W101 HydrophobicContact CB-CZ3 3.85Å; V29-W101 HydrophobicContact CG1-CH2 4.04Å; V29-W101 HydrophobicContact CG1-CZ3 3.95Å; V29-W101 HydrophobicContact CG2-CH2 3.86Å; V29-W101 HydrophobicContact CG2-CZ3 3.94Å
30	R	96.6	Very high	94.5	Very high	14 Å²	14	52.4 Å²	52.4	5%	0.053	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.8	171.9	70.6	174.6	178	-165.3	-0.3	111.8	L37 E38 L40 D84 A86 T87 Y88	R30-L37 CarbonylContact O-C 3.56Å; R30-L37 WeakPolarHBondContact O-CA 3.35Å; R30-E38 HydrophobicContact CG-CB 4.12Å; R30-E38 IonicContact CZ-OE1 2.9Å; R30-E38 IonicContact CZ-OE2 3.98Å; R30-E38 VanDerWaalsContact CZ-OE2 3.25Å; R30-E38 PolarHBondContact N-O 3.03Å; R30-E38 IonicContact NE-OE1 3.32Å; R30-E38 IonicContact NE-OE2 3.97Å; R30-E38 PolarHBondContact NE-OE2 2.88Å; R30-E38 IonicContact NH2-OE1 3.45Å; R30-E38 PolarHBondContact NH2-OE1 3.27Å; R30-E38 IonicContact NH2-OE2 3.23Å; R30-E38 PolarHBondContact NH2-OE2 2.59Å; R30-E38 PolarHBondContact O-N 3.23Å; R30-L40 HydrophobicContact CB-CD1 4.06Å; R30-L40 HydrophobicContact CB-CG 4.37Å; R30-L40 HydrophobicContact CG-CD1 4.12Å; R30-L40 HydrophobicContact CG-CD2 3.78Å; R30-L40 HydrophobicContact CG-CG 4.06Å; R30-D84 IonicContact NH1-OD1 3.25Å; R30-D84 PolarHBondContact NH1-OD1 3.14Å; R30-A86 HydrophobicContact CB-CB 3.85Å; R30-A86 HydrophobicContact CG-CB 4.23Å; R30-T87 CarbonylContact C-O 3.56Å; R30-T87 VanDerWaalsContact CA-O 3.22Å; R30-T87 WeakPolarHBondContact CA-O 3.34Å; R30-Y88 HydrophobicContact CB-CD1 4.03Å; R30-Y88 HydrophobicContact CB-CE1 4.02Å; R30-Y88 HydrophobicContact CB-CG 4.31Å
31	Q	96.8	Very high	94.8	Very high	77 Å²	77	48.6 Å²	48.6	36%	0.36	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	103.3	171.2	-167	178.3	27.6	0	0	109.5	K35 L37 A86 T87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.32Å; Q31-K35 PolarHBondContact NE2-O 2.85Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 4.32Å; Q31-A86 WeakPolarHBondContact O-CA 3.37Å; Q31-A86 WeakPolarHBondContact O-CB 3.33Å; Q31-T87 PolarHBondContact N-O 2.75Å; Q31-T87 PolarHBondContact O-N 2.84Å; Q31-Y89 HydrophobicContact CB-CE2 3.87Å
32	P	95.5	Very high	95.1	Very high	16 Å²	16	49.5 Å²	49.5	10%	0.104	28%	0.28	C	S	.	.			trans	-65.3	152.4	169.7	-17.3	30.5	0	0	0	110.9	G34 K35 A86	P32-G34 PolarHBondContact O-N 3.19Å; P32-K35 HydrophobicContact CB-CB 4.05Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.21Å; P32-K35 HydrophobicContact CG-CB 4.25Å; P32-K35 HydrophobicContact CG-CD 4.27Å; P32-K35 PolarHBondContact O-N 2.96Å; P32-A86 HydrophobicContact CG-CB 4.46Å
33	P	93.8	Very high	95.3	Very high	106 Å²	106	47.3 Å²	47.3	69%	0.688	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	125.7	178	-25.5	34.3	0	0	0	112.1	K35	P33-K35 PolarHBondContact O-N 2.93Å
34	G	95.1	Very high	95.5	Very high	94 Å²	94	46.7 Å²	46.7	97%	0.969	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	11.5	179.5	0	0	0	0	0	115.4	P32	P32-G34 PolarHBondContact O-N 3.19Å
35	K	94.9	Very high	95.6	Very high	144 Å²	144	45.6 Å²	45.6	63%	0.626	26%	0.255	S	S	*	.	S	Bend	trans	-118.5	164.5	179.6	-60.6	-168.9	-176.6	176.9	0	112.4	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.32Å; Q31-K35 PolarHBondContact NE2-O 2.85Å; P32-K35 HydrophobicContact CB-CB 4.05Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.21Å; P32-K35 HydrophobicContact CG-CB 4.25Å; P32-K35 HydrophobicContact CG-CD 4.27Å; P32-K35 PolarHBondContact O-N 2.96Å; P33-K35 PolarHBondContact O-N 2.93Å
36	A	95.3	Very high	95.5	Very high	83 Å²	83	49.8 Å²	49.8	69%	0.686	27%	0.274	S	S	*	.			trans	-67.9	165.9	172.4	0	0	0	0	0	111.7
37	L	95.2	Very high	95.3	Very high	91 Å²	91	54 Å²	54	48%	0.476	31%	0.309	S	S	.	.			trans	-64.6	135.7	172.7	-71.4	165.5	0	0	0	110.8	V29 R30 Q31 Y89 W101	V29-L37 HydrophobicContact CG1-CB 3.84Å; V29-L37 HydrophobicContact CG1-CD2 3.73Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; R30-L37 CarbonylContact O-C 3.56Å; R30-L37 WeakPolarHBondContact O-CA 3.35Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 4.32Å; L37-Y89 HydrophobicContact CD2-CD2 4.09Å; L37-Y89 HydrophobicContact CD2-CE2 4.1Å; L37-W101 HydrophobicContact CD1-CH2 4.11Å; L37-W101 HydrophobicContact CD1-CZ3 4.32Å; L37-W101 HydrophobicContact CD2-CZ3 4.48Å
38	E	95.8	Very high	95.2	Very high	60 Å²	60	57.3 Å²	57.3	28%	0.28	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.6	176.8	-176.4	-170.4	169.6	0	0	109.2	V29 R30 L40 S57	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.5Å; R30-E38 HydrophobicContact CG-CB 4.12Å; R30-E38 IonicContact CZ-OE1 2.9Å; R30-E38 IonicContact CZ-OE2 3.98Å; R30-E38 VanDerWaalsContact CZ-OE2 3.25Å; R30-E38 PolarHBondContact N-O 3.03Å; R30-E38 IonicContact NE-OE1 3.32Å; R30-E38 IonicContact NE-OE2 3.97Å; R30-E38 PolarHBondContact NE-OE2 2.88Å; R30-E38 IonicContact NH2-OE1 3.45Å; R30-E38 PolarHBondContact NH2-OE1 3.27Å; R30-E38 IonicContact NH2-OE2 3.23Å; R30-E38 PolarHBondContact NH2-OE2 2.59Å; R30-E38 PolarHBondContact O-N 3.23Å; E38-L40 HydrophobicContact CG-CD2 4.49Å; E38-S57 WeakPolarHBondContact OE1-CB 3.22Å; E38-S57 PolarHBondContact OE1-OG 3.27Å
39	W	95.6	Very high	95.1	Very high	88 Å²	88	59.7 Å²	59.7	33%	0.333	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	129.7	171.9	173.3	83.1	0	0	0	110.5	G41 F42 E53 S55	W39-G41 VanDerWaalsContact CE2-CA 3.46Å; W39-G41 VanDerWaalsContact CZ2-C 3.41Å; W39-G41 PolarHBondContact NE1-O 2.9Å; W39-F42 HydrophobicContact CH2-CD1 4.41Å; W39-F42 HydrophobicContact CZ2-CB 4.46Å; W39-F42 AromaticContact CZ2-CD1 3.43Å; W39-F42 HydrophobicContact CZ2-CD1 3.43Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.43Å; W39-F42 HydrophobicContact CZ2-CE1 4.01Å; W39-F42 HydrophobicContact CZ2-CG 4.3Å; W39-E53 HydrophobicContact CH2-CB 4.26Å; W39-S55 WeakPolarHBondContact O-CB 3.32Å
40	L	96.8	Very high	95.1	Very high	2 Å²	2	64 Å²	64	1%	0.01	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-38.6	-177.6	-64.7	-173.9	0	0	0	113.3	W28 R30 E38 Y54 S55 V58 F62 L75 Y88	W28-L40 HydrophobicContact CB-CB 4.24Å; W28-L40 HydrophobicContact CB-CD1 4.46Å; W28-L40 WeakPolarHBondContact O-CB 3.41Å; W28-L40 PolarHBondContact O-N 2.91Å; R30-L40 HydrophobicContact CB-CD1 4.06Å; R30-L40 HydrophobicContact CB-CG 4.37Å; R30-L40 HydrophobicContact CG-CD1 4.12Å; R30-L40 HydrophobicContact CG-CD2 3.78Å; R30-L40 HydrophobicContact CG-CG 4.06Å; E38-L40 HydrophobicContact CG-CD2 4.49Å; L40-Y54 WeakPolarHBondContact O-CA 3.19Å; L40-S55 PolarHBondContact O-N 2.79Å; L40-S55 PolarHBondContact O-OG 3Å; L40-S55 VanDerWaalsContact O-OG 3.08Å; L40-V58 HydrophobicContact CB-CG2 4.34Å; L40-V58 HydrophobicContact CD2-CG1 3.8Å; L40-V58 WeakPolarHBondContact O-CG2 3.31Å; L40-F62 HydrophobicContact CD1-CE2 4.41Å; L40-L75 HydrophobicContact CD1-CD2 4.31Å; L40-Y88 HydrophobicContact CD1-CD1 3.78Å; L40-Y88 HydrophobicContact CD1-CE1 3.47Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.47Å
41	G	96.4	Very high	95	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	167.6	-172.4	0	0	0	0	0	112.2	S27 W28 W39 E53	S27-G41 CarbonylContact C-O 3.59Å; S27-G41 VanDerWaalsContact CA-O 3.26Å; S27-G41 WeakPolarHBondContact CA-O 3.35Å; W28-G41 PolarHBondContact N-O 3.08Å; W39-G41 VanDerWaalsContact CE2-CA 3.46Å; W39-G41 VanDerWaalsContact CZ2-C 3.41Å; W39-G41 PolarHBondContact NE1-O 2.9Å; G41-E53 CarbonylContact C-O 3.48Å; G41-E53 WeakPolarHBondContact CA-O 3.43Å
42	F	96.3	Very high	95.1	Very high	23 Å²	23	65.4 Å²	65.4	10%	0.101	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.5	169.3	70.7	-106.4	0	0	0	112.2	M26 S27 W39 R44 T52 E53	M26-F42 CarbonylContact O-C 3.58Å; M26-F42 WeakPolarHBondContact O-CA 2.98Å; M26-F42 WeakPolarHBondContact O-CB 3.34Å; S27-F42 WeakPolarHBondContact OG-CB 3.49Å; W39-F42 HydrophobicContact CH2-CD1 4.41Å; W39-F42 HydrophobicContact CZ2-CB 4.46Å; W39-F42 AromaticContact CZ2-CD1 3.43Å; W39-F42 HydrophobicContact CZ2-CD1 3.43Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.43Å; W39-F42 HydrophobicContact CZ2-CE1 4.01Å; W39-F42 HydrophobicContact CZ2-CG 4.3Å; F42-R44 HydrophobicContact CD2-CG 4.06Å; F42-R44 HydrophobicContact CE2-CG 3.54Å; F42-T52 VanDerWaalsContact O-CA 3.28Å; F42-T52 WeakPolarHBondContact O-CA 3.02Å; F42-E53 HydrophobicContact CD1-CB 4.36Å; F42-E53 HydrophobicContact CE1-CB 3.8Å; F42-E53 HydrophobicContact CE1-CG 4.27Å; F42-E53 HydrophobicContact CE2-CB 4.31Å; F42-E53 HydrophobicContact CE2-CG 4.35Å; F42-E53 HydrophobicContact CZ-CB 3.77Å; F42-E53 HydrophobicContact CZ-CG 3.8Å; F42-E53 PolarHBondContact N-O 2.81Å; F42-E53 PolarHBondContact O-N 2.81Å; F42-E53 VanDerWaalsContact O-N 3.09Å
43	I	96.6	Very high	95.1	Very high	9 Å²	9	68.6 Å²	68.6	5%	0.046	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.7	167.1	-174.2	161.1	0	0	0	109.6	Y25 M26 T52 I64 R66 L73	Y25-I43 WeakPolarHBondContact CA-O 3.26Å; M26-I43 HydrophobicContact CB-CG2 4.01Å; M26-I43 PolarHBondContact N-O 3.39Å; M26-I43 PolarHBondContact O-N 2.82Å; I43-T52 HydrophobicContact CB-CG2 3.85Å; I43-T52 HydrophobicContact CD1-CG2 3.92Å; I43-T52 HydrophobicContact CG1-CG2 3.76Å; I43-I64 HydrophobicContact CB-CG2 3.76Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; I43-R66 HydrophobicContact CD1-CG 3.87Å; I43-R66 HydrophobicContact CG1-CG 4.48Å; I43-R66 HydrophobicContact CG2-CB 4.44Å; I43-R66 HydrophobicContact CG2-CG 4.49Å; I43-L73 HydrophobicContact CG2-CD1 3.61Å
44	R	94.8	Very high	95.3	Very high	61 Å²	61	66.3 Å²	66.3	23%	0.23	38%	0.376	C	S	.	.			trans	-71.6	164.6	175.9	-59.1	-163.1	173	82.9	0.1	111.4	Y25 F42 N48 T51 E53 R66	Y25-R44 HydrophobicContact CD1-CB 3.87Å; Y25-R44 HydrophobicContact CD1-CG 4.24Å; Y25-R44 HydrophobicContact CD2-CG 4.19Å; Y25-R44 HydrophobicContact CE1-CB 3.67Å; Y25-R44 HydrophobicContact CE1-CG 3.98Å; Y25-R44 HydrophobicContact CE2-CG 3.95Å; Y25-R44 HydrophobicContact CG-CB 4.37Å; Y25-R44 HydrophobicContact CG-CG 4.34Å; F42-R44 HydrophobicContact CD2-CG 4.06Å; F42-R44 HydrophobicContact CE2-CG 3.54Å; R44-N48 HydrophobicContact CB-CB 3.82Å; R44-N48 HydrophobicContact CG-CB 4.34Å; R44-T51 VanDerWaalsContact CD-OG1 3.25Å; R44-T51 WeakPolarHBondContact CD-OG1 3.46Å; R44-T51 WeakPolarHBondContact CG-OG1 3.45Å; R44-T51 PolarHBondContact N-O 2Å; R44-T51 PolarHBondContact NH1-OG1 3.41Å; R44-E53 IonicContact CZ-OE1 2.84Å; R44-E53 VanDerWaalsContact CZ-OE1 3.3Å; R44-E53 IonicContact NH1-OE1 3.11Å; R44-E53 PolarHBondContact NH1-OE1 3.12Å; R44-E53 VanDerWaalsContact NH1-OE1 3.11Å; R44-E53 IonicContact NH2-OE1 2.78Å; R44-E53 PolarHBondContact NH2-OE1 3.34Å; R44-R66 PolarHBondContact O-NH1 3.36Å
45	N	93.4	Very high	95.4	Very high	18 Å²	18	62.6 Å²	62.6	10%	0.096	34%	0.335	C	S	.	.			trans	-70.9	179.2	174.4	69.5	10.9	0	0	0	111.9	T22 D23 Y25 A47 N48 G49 Y50	T22-N45 VanDerWaalsContact O-CB 3.29Å; T22-N45 WeakPolarHBondContact O-CB 3.34Å; D23-N45 PolarHBondContact O-ND2 3.06Å; Y25-N45 HydrophobicContact CD1-CB 4.13Å; Y25-N45 VanDerWaalsContact CD1-N 3.29Å; Y25-N45 HydrophobicContact CE1-CB 4.29Å; N45-A47 VanDerWaalsContact C-N 3.31Å; N45-A47 PolarHBondContact O-N 2.99Å; N45-A47 PolarHBondContact OD1-N 2.87Å; N45-N48 CarbonylContact O-C 3.59Å; N45-N48 PolarHBondContact O-N 3.1Å; N45-N48 PolarHBondContact OD1-N 2.87Å; N45-N48 PolarHBondContact OD1-OD1 3Å; N45-G49 PolarHBondContact O-N 3.32Å; N45-Y50 PolarHBondContact O-N 2.68Å; N45-Y50 VanDerWaalsContact O-N 3.14Å
46	K	92.1	Very high	95.4	Very high	150 Å²	150	60.5 Å²	60.5	65%	0.652	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61	-40	179.2	-173.2	177.3	178.4	-176.8	0	112.3	N48 G49 Y50	K46-N48 PolarHBondContact O-N 3.39Å; K46-G49 PolarHBondContact O-N 2.86Å; K46-Y50 HydrophobicContact CB-CE1 3.81Å; K46-Y50 HydrophobicContact CB-CE2 4.19Å; K46-Y50 WeakPolarHBondContact CB-OH 3.15Å; K46-Y50 HydrophobicContact CG-CE1 4.43Å; K46-Y50 HydrophobicContact CG-CE2 3.92Å; K46-Y50 WeakPolarHBondContact CG-OH 3.38Å
47	A	92.3	Very high	95.3	Very high	88 Å²	88	58.5 Å²	58.5	73%	0.727	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-61.5	-27.3	-178.5	0	0	0	0	0	112.5	N45	N45-A47 VanDerWaalsContact C-N 3.31Å; N45-A47 PolarHBondContact O-N 2.99Å; N45-A47 PolarHBondContact OD1-N 2.87Å
48	N	93.3	Very high	95.3	Very high	71 Å²	71	54.2 Å²	54.2	38%	0.38	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-107.4	27.7	177.5	-55.4	109.8	0	0	0	113	Y25 R44 N45 K46 Y50 T51	Y25-N48 HydrophobicContact CE1-CB 4.36Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.35Å; Y25-N48 VanDerWaalsContact OH-CG 3.25Å; Y25-N48 PolarHBondContact OH-OD1 3.07Å; R44-N48 HydrophobicContact CB-CB 3.82Å; R44-N48 HydrophobicContact CG-CB 4.34Å; N45-N48 CarbonylContact O-C 3.59Å; N45-N48 PolarHBondContact O-N 3.1Å; N45-N48 PolarHBondContact OD1-N 2.87Å; N45-N48 PolarHBondContact OD1-OD1 3Å; K46-N48 PolarHBondContact O-N 3.39Å; N48-Y50 VanDerWaalsContact C-N 3.33Å; N48-Y50 PolarHBondContact O-N 2.92Å; N48-T51 PolarHBondContact O-OG1 3.07Å
49	G	94.3	Very high	95.3	Very high	54 Å²	54	58.9 Å²	58.9	56%	0.557	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	19.9	166.3	0	0	0	0	0	115.4	N45 K46 T51	N45-G49 PolarHBondContact O-N 3.32Å; K46-G49 PolarHBondContact O-N 2.86Å; G49-T51 PolarHBondContact O-N 3.12Å
50	Y	95.6	Very high	95.2	Very high	96 Å²	96	58.6 Å²	58.6	38%	0.376	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	26.4	-177.6	-56.1	-63.2	0	0	0	114.4	N45 K46 N48 R66 N68	N45-Y50 PolarHBondContact O-N 2.68Å; N45-Y50 VanDerWaalsContact O-N 3.14Å; K46-Y50 HydrophobicContact CB-CE1 3.81Å; K46-Y50 HydrophobicContact CB-CE2 4.19Å; K46-Y50 WeakPolarHBondContact CB-OH 3.15Å; K46-Y50 HydrophobicContact CG-CE1 4.43Å; K46-Y50 HydrophobicContact CG-CE2 3.92Å; K46-Y50 WeakPolarHBondContact CG-OH 3.38Å; N48-Y50 VanDerWaalsContact C-N 3.33Å; N48-Y50 PolarHBondContact O-N 2.92Å; Y50-R66 HydrophobicContact CD1-CG 4.43Å; Y50-R66 HydrophobicContact CE1-CG 4.49Å; Y50-N68 PolarHBondContact OH-ND2 3.43Å
51	T	96.2	Very high	95.2	Very high	64 Å²	64	59.6 Å²	59.6	39%	0.393	35%	0.351	S	S	.	.			trans	-63	146.3	178.7	51.6	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 WeakPolarHBondContact CG-OG1 3.45Å; R44-T51 PolarHBondContact N-O 2Å; R44-T51 PolarHBondContact NH1-OG1 3.41Å; N48-T51 PolarHBondContact O-OG1 3.07Å; G49-T51 PolarHBondContact O-N 3.12Å
52	T	97.2	Very high	95.2	Very high	55 Å²	55	59.8 Å²	59.8	34%	0.337	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.9	-177.6	50.9	0	0	0	0	111	F42 I43 Y54	F42-T52 VanDerWaalsContact O-CA 3.28Å; F42-T52 WeakPolarHBondContact O-CA 3.02Å; I43-T52 HydrophobicContact CB-CG2 3.85Å; I43-T52 HydrophobicContact CD1-CG2 3.92Å; I43-T52 HydrophobicContact CG1-CG2 3.76Å; T52-Y54 WeakPolarHBondContact OG1-CE2 2.87Å; T52-Y54 PolarHBondContact OG1-OH 2.78Å
53	E	96.5	Very high	95.3	Very high	84 Å²	84	62 Å²	62	39%	0.393	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.8	171.6	-71.7	178.9	-147.4	0	0	109.1	W39 G41 F42 R44	W39-E53 HydrophobicContact CH2-CB 4.26Å; G41-E53 CarbonylContact C-O 3.48Å; G41-E53 WeakPolarHBondContact CA-O 3.43Å; F42-E53 HydrophobicContact CD1-CB 4.36Å; F42-E53 HydrophobicContact CE1-CB 3.8Å; F42-E53 HydrophobicContact CE1-CG 4.27Å; F42-E53 HydrophobicContact CE2-CB 4.31Å; F42-E53 HydrophobicContact CE2-CG 4.35Å; F42-E53 HydrophobicContact CZ-CB 3.77Å; F42-E53 HydrophobicContact CZ-CG 3.8Å; F42-E53 PolarHBondContact N-O 2.81Å; F42-E53 PolarHBondContact O-N 2.81Å; F42-E53 VanDerWaalsContact O-N 3.09Å; R44-E53 IonicContact CZ-OE1 2.84Å; R44-E53 VanDerWaalsContact CZ-OE1 3.3Å; R44-E53 IonicContact NH1-OE1 3.11Å; R44-E53 PolarHBondContact NH1-OE1 3.12Å; R44-E53 VanDerWaalsContact NH1-OE1 3.11Å; R44-E53 IonicContact NH2-OE1 2.78Å; R44-E53 PolarHBondContact NH2-OE1 3.34Å
54	Y	97.6	Very high	95.4	Very high	57 Å²	57	61.8 Å²	61.8	22%	0.224	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.3	-174.1	-59.5	-88.7	0	0	0	109.8	L40 T52 V58 F62 I64	L40-Y54 WeakPolarHBondContact O-CA 3.19Å; T52-Y54 WeakPolarHBondContact OG1-CE2 2.87Å; T52-Y54 PolarHBondContact OG1-OH 2.78Å; Y54-V58 HydrophobicContact CD1-CG2 4.38Å; Y54-F62 VanDerWaalsContact CE1-O 3.26Å; Y54-F62 WeakPolarHBondContact CE1-O 3.34Å; Y54-I64 HydrophobicContact CD1-CD1 4.43Å; Y54-I64 HydrophobicContact CE1-CB 4.39Å; Y54-I64 HydrophobicContact CE1-CD1 4.06Å; Y54-I64 HydrophobicContact CE1-CG1 3.87Å; Y54-I64 PolarHBondContact OH-N 2.99Å
55	S	96.6	Very high	95.5	Very high	16 Å²	16	60.9 Å²	60.9	11%	0.112	37%	0.369	C	S	.	.			trans	-65	156.9	166.5	66.4	0	0	0	0	111	W39 L40 S57 V58 K59	W39-S55 WeakPolarHBondContact O-CB 3.32Å; L40-S55 PolarHBondContact O-N 2.79Å; L40-S55 PolarHBondContact O-OG 3Å; L40-S55 VanDerWaalsContact O-OG 3.08Å; S55-S57 PolarHBondContact O-N 3.01Å; S55-S57 PolarHBondContact OG-OG 2.91Å; S55-S57 VanDerWaalsContact OG-OG 3.06Å; S55-V58 PolarHBondContact O-N 2.92Å; S55-K59 WeakPolarHBondContact O-CB 3.42Å; S55-K59 PolarHBondContact O-N 2.9Å; S55-K59 VanDerWaalsContact O-N 3.1Å
56	A	95.7	Very high	95.6	Very high	100 Å²	100	61.5 Å²	61.5	83%	0.826	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.5	179.6	0	0	0	0	0	113.1	V58	A56-V58 VanDerWaalsContact C-N 3.32Å; A56-V58 PolarHBondContact O-N 3.39Å
57	S	92.4	Very high	95.8	Very high	42 Å²	42	56.4 Å²	56.4	29%	0.294	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.7	-176.4	58	0	0	0	0	113.7	E38 S55 R61	E38-S57 WeakPolarHBondContact OE1-CB 3.22Å; E38-S57 PolarHBondContact OE1-OG 3.27Å; S55-S57 PolarHBondContact O-N 3.01Å; S55-S57 PolarHBondContact OG-OG 2.91Å; S55-S57 VanDerWaalsContact OG-OG 3.06Å; S57-R61 PolarHBondContact O-NH2 2.83Å
58	V	95.4	Very high	95.9	Very high	1 Å²	1	54 Å²	54	1%	0.006	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-6.6	-175.5	-56.3	0	0	0	0	114.4	L40 Y54 S55 A56 G60 R61 F62	L40-V58 HydrophobicContact CB-CG2 4.34Å; L40-V58 HydrophobicContact CD2-CG1 3.8Å; L40-V58 WeakPolarHBondContact O-CG2 3.31Å; Y54-V58 HydrophobicContact CD1-CG2 4.38Å; S55-V58 PolarHBondContact O-N 2.92Å; A56-V58 VanDerWaalsContact C-N 3.32Å; A56-V58 PolarHBondContact O-N 3.39Å; V58-G60 PolarHBondContact O-N 2.86Å; V58-R61 PolarHBondContact O-N 2.67Å; V58-F62 HydrophobicContact CB-CB 4.03Å; V58-F62 HydrophobicContact CB-CD1 4.37Å; V58-F62 HydrophobicContact CB-CD2 3.56Å; V58-F62 HydrophobicContact CB-CE2 4.05Å; V58-F62 HydrophobicContact CB-CG 3.74Å; V58-F62 HydrophobicContact CG1-CD2 3.51Å; V58-F62 HydrophobicContact CG1-CE2 3.48Å; V58-F62 VanDerWaalsContact CG1-CE2 3.48Å; V58-F62 HydrophobicContact CG1-CG 4.14Å; V58-F62 HydrophobicContact CG1-CZ 4.07Å; V58-F62 HydrophobicContact CG2-CB 4.33Å; V58-F62 HydrophobicContact CG2-CD2 4.18Å; V58-F62 HydrophobicContact CG2-CG 4.46Å; V58-F62 PolarHBondContact O-N 2.97Å
59	K	95.6	Very high	95.8	Very high	157 Å²	157	55.6 Å²	55.6	68%	0.683	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	129.4	179.5	-169.6	171.9	-175.3	176.6	0	111	S55 R61	S55-K59 WeakPolarHBondContact O-CB 3.42Å; S55-K59 PolarHBondContact O-N 2.9Å; S55-K59 VanDerWaalsContact O-N 3.1Å; K59-R61 VanDerWaalsContact C-N 3.25Å; K59-R61 PolarHBondContact O-N 2.94Å
60	G	95.2	Very high	95.8	Very high	83 Å²	83	58.3 Å²	58.3	86%	0.856	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-6	-178.7	0	0	0	0	0	115.1	V58	V58-G60 PolarHBondContact O-N 2.86Å
61	R	96	Very high	95.8	Very high	22 Å²	22	55.6 Å²	55.6	8%	0.083	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-39.1	176.6	-59.3	-167.9	-57.9	119.8	0.1	112.1	S57 V58 K59 N78 T79 D84	S57-R61 PolarHBondContact O-NH2 2.83Å; V58-R61 PolarHBondContact O-N 2.67Å; K59-R61 VanDerWaalsContact C-N 3.25Å; K59-R61 PolarHBondContact O-N 2.94Å; R61-N78 WeakPolarHBondContact O-CB 3.34Å; R61-N78 PolarHBondContact O-N 3.09Å; R61-N78 PolarHBondContact O-ND2 3.06Å; R61-T79 WeakPolarHBondContact CD-OG1 3.44Å; R61-T79 PolarHBondContact NH1-O 3.49Å; R61-D84 IonicContact CZ-OD1 3.75Å; R61-D84 IonicContact CZ-OD2 2.68Å; R61-D84 IonicContact NH1-OD1 2.67Å; R61-D84 IonicContact NH1-OD2 2.87Å; R61-D84 PolarHBondContact NH1-OD2 2.92Å; R61-D84 IonicContact NH2-OD1 3.3Å; R61-D84 PolarHBondContact NH2-OD1 2.85Å; R61-D84 IonicContact NH2-OD2 3.78Å; R61-D84 PolarHBondContact NH2-OD2 3.32Å
62	F	96.9	Very high	95.8	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	148	-175.7	-64.4	7.9	0	0	0	111.1	L40 Y54 V58 L75 Q76 M77 L80 D84 Y88	L40-F62 HydrophobicContact CD1-CE2 4.41Å; Y54-F62 VanDerWaalsContact CE1-O 3.26Å; Y54-F62 WeakPolarHBondContact CE1-O 3.34Å; V58-F62 HydrophobicContact CB-CB 4.03Å; V58-F62 HydrophobicContact CB-CD1 4.37Å; V58-F62 HydrophobicContact CB-CD2 3.56Å; V58-F62 HydrophobicContact CB-CE2 4.05Å; V58-F62 HydrophobicContact CB-CG 3.74Å; V58-F62 HydrophobicContact CG1-CD2 3.51Å; V58-F62 HydrophobicContact CG1-CE2 3.48Å; V58-F62 VanDerWaalsContact CG1-CE2 3.48Å; V58-F62 HydrophobicContact CG1-CG 4.14Å; V58-F62 HydrophobicContact CG1-CZ 4.07Å; V58-F62 HydrophobicContact CG2-CB 4.33Å; V58-F62 HydrophobicContact CG2-CD2 4.18Å; V58-F62 HydrophobicContact CG2-CG 4.46Å; V58-F62 PolarHBondContact O-N 2.97Å; F62-L75 HydrophobicContact CB-CD1 4.06Å; F62-L75 HydrophobicContact CD2-CD1 4.21Å; F62-L75 HydrophobicContact CD2-CD2 4.1Å; F62-L75 HydrophobicContact CD2-CG 4.35Å; F62-L75 HydrophobicContact CE2-CD2 4.47Å; F62-Q76 CarbonylContact C-O 3.51Å; F62-Q76 WeakPolarHBondContact CA-O 3.44Å; F62-M77 HydrophobicContact CD1-CB 3.78Å; F62-M77 HydrophobicContact CD1-CG 4.06Å; F62-M77 HydrophobicContact CD2-CG 3.93Å; F62-M77 HydrophobicContact CD2-SD 4.32Å; F62-M77 HydrophobicContact CE1-CB 3.65Å; F62-M77 HydrophobicContact CE1-CG 4.03Å; F62-M77 HydrophobicContact CE1-SD 4.5Å; F62-M77 HydrophobicContact CE2-CB 4.4Å; F62-M77 HydrophobicContact CE2-CG 3.86Å; F62-M77 HydrophobicContact CE2-SD 3.74Å; F62-M77 HydrophobicContact CG-CB 4.27Å; F62-M77 HydrophobicContact CG-CG 4.05Å; F62-M77 HydrophobicContact CZ-CB 3.98Å; F62-M77 HydrophobicContact CZ-CG 3.93Å; F62-M77 HydrophobicContact CZ-SD 3.86Å; F62-L80 HydrophobicContact CE1-CD2 4.2Å; F62-L80 HydrophobicContact CZ-CD2 4.06Å; F62-D84 HydrophobicContact CZ-CB 4.31Å; F62-Y88 HydrophobicContact CE2-CE1 4.26Å
63	T	97.9	Very high	95.8	Very high	69 Å²	69	51.2 Å²	51.2	42%	0.423	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.2	177.9	-52.7	0	0	0	0	109.8	Q76	T63-Q76 PolarHBondContact N-O 2.77Å; T63-Q76 PolarHBondContact O-N 3.17Å
64	I	97.9	Very high	95.8	Very high	6 Å²	6	49 Å²	49	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134.3	174.8	-60.1	170	0	0	0	108.7	I43 Y54 L73 Y74 L75	I43-I64 HydrophobicContact CB-CG2 3.76Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; Y54-I64 HydrophobicContact CD1-CD1 4.43Å; Y54-I64 HydrophobicContact CE1-CB 4.39Å; Y54-I64 HydrophobicContact CE1-CD1 4.06Å; Y54-I64 HydrophobicContact CE1-CG1 3.87Å; Y54-I64 PolarHBondContact OH-N 2.99Å; I64-L73 HydrophobicContact CG2-CD1 3.84Å; I64-Y74 WeakPolarHBondContact CA-O 3.33Å; I64-L75 HydrophobicContact CG1-CD1 3.64Å
65	S	97.5	Very high	95.9	Very high	41 Å²	41	46.4 Å²	46.4	29%	0.287	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	163.4	172.4	55.4	0	0	0	0	110.3	Y74	S65-Y74 PolarHBondContact N-O 2.68Å; S65-Y74 VanDerWaalsContact N-O 3.08Å; S65-Y74 PolarHBondContact O-N 2.97Å; S65-Y74 WeakPolarHBondContact OG-CB 3.33Å
66	R	96.4	Very high	95.9	Very high	32 Å²	32	48.2 Å²	48.2	12%	0.121	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.3	-176.6	62.3	-172.9	-70.5	165.5	5.6	111.3	F21 Y24 I43 R44 Y50 N68 I72 L73	F21-R66 VanDerWaalsContact CD1-NH2 3.35Å; F21-R66 HydrophobicContact CE1-CB 4.11Å; F21-R66 HydrophobicContact CZ-CB 4.04Å; F21-R66 PolarHBondContact O-NH2 3.22Å; Y24-R66 PolarHBondContact O-NH1 3.32Å; I43-R66 HydrophobicContact CD1-CG 3.87Å; I43-R66 HydrophobicContact CG1-CG 4.48Å; I43-R66 HydrophobicContact CG2-CB 4.44Å; I43-R66 HydrophobicContact CG2-CG 4.49Å; R44-R66 PolarHBondContact O-NH1 3.36Å; Y50-R66 HydrophobicContact CD1-CG 4.43Å; Y50-R66 HydrophobicContact CE1-CG 4.49Å; R66-N68 VanDerWaalsContact CZ-OD1 3.3Å; R66-N68 PolarHBondContact NE-OD1 2.83Å; R66-N68 PolarHBondContact NH2-OD1 3.02Å; R66-I72 CarbonylContact C-O 3.41Å; R66-I72 WeakPolarHBondContact CA-O 3.26Å; R66-L73 HydrophobicContact CB-CD1 4.22Å
67	D	95.4	Very high	95.9	Very high	43 Å²	43	43.4 Å²	43.4	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	107.6	168.6	-175.9	-17.3	0	0	0	108.9	S69 Q70 S71 I72 Y74	D67-S69 WeakPolarHBondContact OD1-CB 3.16Å; D67-S69 PolarHBondContact OD1-N 3.47Å; D67-S69 PolarHBondContact OD1-OG 3.11Å; D67-Q70 HydrophobicContact CB-CB 4.42Å; D67-Q70 PolarHBondContact OD1-N 2.92Å; D67-Q70 VanDerWaalsContact OD2-CD 3.28Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.49Å; D67-S71 WeakPolarHBondContact O-CA 3.28Å; D67-S71 PolarHBondContact O-N 3.03Å; D67-I72 PolarHBondContact N-O 3.34Å; D67-I72 PolarHBondContact O-N 2.87Å; D67-Y74 HydrophobicContact CB-CE2 3.91Å
68	N	93.6	Very high	96	Very high	37 Å²	37	44 Å²	44	20%	0.198	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-25.7	-178.7	-75.6	-7.7	0	0	0	113.3	F21 T22 Y50 R66 Q70	F21-N68 WeakPolarHBondContact CD1-OD1 3.26Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.48Å; T22-N68 HydrophobicContact CG2-CB 3.89Å; Y50-N68 PolarHBondContact OH-ND2 3.43Å; R66-N68 VanDerWaalsContact CZ-OD1 3.3Å; R66-N68 PolarHBondContact NE-OD1 2.83Å; R66-N68 PolarHBondContact NH2-OD1 3.02Å; N68-Q70 VanDerWaalsContact C-N 3.27Å
69	S	92.8	Very high	95.7	Very high	105 Å²	105	47.5 Å²	47.5	73%	0.734	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.8	178.2	70.9	0	0	0	0	111.7	D67	D67-S69 WeakPolarHBondContact OD1-CB 3.16Å; D67-S69 PolarHBondContact OD1-N 3.47Å; D67-S69 PolarHBondContact OD1-OG 3.11Å
70	Q	94.3	Very high	95.5	Very high	111 Å²	111	40.6 Å²	40.6	52%	0.519	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-6.5	-179.7	-59.1	-176.9	-3.9	0	0	113.1	D67 N68 I72	D67-Q70 HydrophobicContact CB-CB 4.42Å; D67-Q70 PolarHBondContact OD1-N 2.92Å; D67-Q70 VanDerWaalsContact OD2-CD 3.28Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.49Å; N68-Q70 VanDerWaalsContact C-N 3.27Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 HydrophobicContact CB-CB 4.41Å; Q70-I72 HydrophobicContact CB-CD1 3.8Å; Q70-I72 HydrophobicContact CB-CG1 3.77Å; Q70-I72 WeakPolarHBondContact O-CG1 3.25Å; Q70-I72 PolarHBondContact O-N 3.03Å
71	S	93.9	Very high	95.3	Very high	38 Å²	38	43.2 Å²	43.2	27%	0.266	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	42.2	-171.4	-57.1	0	0	0	0	113.2	T16 D67	T16-S71 PolarHBondContact N-O 2.84Å; T16-S71 PolarHBondContact OG1-O 2.78Å; D67-S71 WeakPolarHBondContact O-CA 3.28Å; D67-S71 PolarHBondContact O-N 3.03Å
72	I	96.3	Very high	95	Very high	28 Å²	28	46.1 Å²	46.1	14%	0.144	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.5	-177.8	-58.1	-178.8	0	0	0	111	C14 A15 R66 D67 Q70 Y74	C14-I72 CarbonylContact O-C 3.53Å; C14-I72 WeakPolarHBondContact O-CA 3.44Å; A15-I72 HydrophobicContact CB-CG1 4.25Å; R66-I72 CarbonylContact C-O 3.41Å; R66-I72 WeakPolarHBondContact CA-O 3.26Å; D67-I72 PolarHBondContact N-O 3.34Å; D67-I72 PolarHBondContact O-N 2.87Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 HydrophobicContact CB-CB 4.41Å; Q70-I72 HydrophobicContact CB-CD1 3.8Å; Q70-I72 HydrophobicContact CB-CG1 3.77Å; Q70-I72 WeakPolarHBondContact O-CG1 3.25Å; Q70-I72 PolarHBondContact O-N 3.03Å; I72-Y74 HydrophobicContact CB-CE2 4.07Å; I72-Y74 HydrophobicContact CG2-CD1 4.08Å; I72-Y74 HydrophobicContact CG2-CD2 4.21Å; I72-Y74 HydrophobicContact CG2-CE1 3.57Å; I72-Y74 HydrophobicContact CG2-CE2 3.71Å; I72-Y74 HydrophobicContact CG2-CG 4.37Å
73	L	97.4	Very high	94.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137.5	167.5	-172.3	69.4	0	0	0	110	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.5Å; S13-L73 WeakPolarHBondContact CA-O 3.19Å; C14-L73 HydrophobicContact CB-CB 4.44Å; C14-L73 PolarHBondContact N-O 2.84Å; C14-L73 PolarHBondContact O-N 2.77Å; F21-L73 HydrophobicContact CE2-CB 4.49Å; F21-L73 HydrophobicContact CZ-CB 4.44Å; M26-L73 HydrophobicContact CB-CD1 3.52Å; M26-L73 HydrophobicContact CB-CD2 3.83Å; M26-L73 HydrophobicContact CB-CG 4.2Å; M26-L73 HydrophobicContact CE-CD2 4.46Å; M26-L73 HydrophobicContact CG-CD1 4.33Å; W28-L73 HydrophobicContact CD2-CD2 4.31Å; W28-L73 HydrophobicContact CG-CD2 4.29Å; W28-L73 HydrophobicContact CZ2-CD2 4.26Å; W28-L73 HydrophobicContact CZ2-CG 4.33Å; W28-L73 VanDerWaalsContact NE1-CD2 3.25Å; I43-L73 HydrophobicContact CG2-CD1 3.61Å; I64-L73 HydrophobicContact CG2-CD1 3.84Å; R66-L73 HydrophobicContact CB-CD1 4.22Å; L73-C90 HydrophobicContact CD2-CB 3.9Å
74	Y	97.8	Very high	94.5	Very high	37 Å²	37	50.1 Å²	50.1	15%	0.145	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.8	177.7	-60.8	-78.4	0	0	0	111.6	R11 L12 W28 I64 S65 D67 I72	R11-Y74 HydrophobicContact CG-CD1 4.46Å; R11-Y74 VanDerWaalsContact NH2-CG 3.31Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.39Å; W28-Y74 PolarHBondContact NE1-O 2.99Å; I64-Y74 WeakPolarHBondContact CA-O 3.33Å; S65-Y74 PolarHBondContact N-O 2.68Å; S65-Y74 VanDerWaalsContact N-O 3.08Å; S65-Y74 PolarHBondContact O-N 2.97Å; S65-Y74 WeakPolarHBondContact OG-CB 3.33Å; D67-Y74 HydrophobicContact CB-CE2 3.91Å; I72-Y74 HydrophobicContact CB-CE2 4.07Å; I72-Y74 HydrophobicContact CG2-CD1 4.08Å; I72-Y74 HydrophobicContact CG2-CD2 4.21Å; I72-Y74 HydrophobicContact CG2-CE1 3.57Å; I72-Y74 HydrophobicContact CG2-CE2 3.71Å; I72-Y74 HydrophobicContact CG2-CG 4.37Å
75	L	97.9	Very high	94.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	106.5	166.7	-173	66.8	0	0	0	108.6	R11 L12 W28 L40 F62 I64 M77 Y88	R11-L75 WeakPolarHBondContact CA-O 3.08Å; L12-L75 HydrophobicContact CB-CB 4.26Å; L12-L75 HydrophobicContact CD1-CD2 4.37Å; L12-L75 PolarHBondContact N-O 2.78Å; L12-L75 PolarHBondContact O-N 2.95Å; W28-L75 HydrophobicContact CB-CD2 4.38Å; W28-L75 HydrophobicContact CD2-CB 3.92Å; W28-L75 HydrophobicContact CD2-CD2 4.06Å; W28-L75 HydrophobicContact CD2-CG 4.48Å; W28-L75 HydrophobicContact CE3-CD2 4.34Å; W28-L75 HydrophobicContact CG-CB 4.17Å; W28-L75 HydrophobicContact CG-CD1 4.17Å; W28-L75 HydrophobicContact CG-CD2 4.08Å; W28-L75 HydrophobicContact CG-CG 4.39Å; W28-L75 HydrophobicContact CZ2-CB 3.93Å; L40-L75 HydrophobicContact CD1-CD2 4.31Å; F62-L75 HydrophobicContact CB-CD1 4.06Å; F62-L75 HydrophobicContact CD2-CD1 4.21Å; F62-L75 HydrophobicContact CD2-CD2 4.1Å; F62-L75 HydrophobicContact CD2-CG 4.35Å; F62-L75 HydrophobicContact CE2-CD2 4.47Å; I64-L75 HydrophobicContact CG1-CD1 3.64Å; L75-M77 HydrophobicContact CD2-CG 3.79Å; L75-M77 HydrophobicContact CD2-SD 3.77Å; L75-M77 HydrophobicContact CG-CG 3.71Å; L75-M77 HydrophobicContact CG-SD 4.36Å; L75-Y88 HydrophobicContact CD2-CD1 3.9Å; L75-Y88 HydrophobicContact CD2-CE1 4.06Å
76	Q	97.4	Very high	94.2	Very high	54 Å²	54	49.6 Å²	49.6	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.2	167.1	-179.1	63.6	34.5	0	0	107.8	F62 T63 N78	F62-Q76 CarbonylContact C-O 3.51Å; F62-Q76 WeakPolarHBondContact CA-O 3.44Å; T63-Q76 PolarHBondContact N-O 2.77Å; T63-Q76 PolarHBondContact O-N 3.17Å; Q76-N78 PolarHBondContact NE2-OD1 3.2Å
77	M	95.6	Very high	94.2	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.3	178.1	-55.7	-171.1	-52.1	0	0	108.3	S9 L10 L12 F62 L75 L80 Y88 V107	S9-M77 CarbonylContact C-O 3.6Å; S9-M77 WeakPolarHBondContact CA-O 3.47Å; S9-M77 WeakPolarHBondContact CB-O 3.02Å; L10-M77 HydrophobicContact CB-CE 3.8Å; L10-M77 HydrophobicContact CD2-CE 3.73Å; L10-M77 HydrophobicContact CG-CE 4.1Å; L10-M77 PolarHBondContact N-O 3.42Å; L10-M77 PolarHBondContact O-N 2.79Å; L12-M77 HydrophobicContact CD1-CE 4.21Å; L12-M77 HydrophobicContact CD1-SD 4.18Å; L12-M77 HydrophobicContact CG-CE 4.18Å; F62-M77 HydrophobicContact CD1-CB 3.78Å; F62-M77 HydrophobicContact CD1-CG 4.06Å; F62-M77 HydrophobicContact CD2-CG 3.93Å; F62-M77 HydrophobicContact CD2-SD 4.32Å; F62-M77 HydrophobicContact CE1-CB 3.65Å; F62-M77 HydrophobicContact CE1-CG 4.03Å; F62-M77 HydrophobicContact CE1-SD 4.5Å; F62-M77 HydrophobicContact CE2-CB 4.4Å; F62-M77 HydrophobicContact CE2-CG 3.86Å; F62-M77 HydrophobicContact CE2-SD 3.74Å; F62-M77 HydrophobicContact CG-CB 4.27Å; F62-M77 HydrophobicContact CG-CG 4.05Å; F62-M77 HydrophobicContact CZ-CB 3.98Å; F62-M77 HydrophobicContact CZ-CG 3.93Å; F62-M77 HydrophobicContact CZ-SD 3.86Å; L75-M77 HydrophobicContact CD2-CG 3.79Å; L75-M77 HydrophobicContact CD2-SD 3.77Å; L75-M77 HydrophobicContact CG-CG 3.71Å; L75-M77 HydrophobicContact CG-SD 4.36Å; M77-L80 HydrophobicContact CB-CD1 4.45Å; M77-L80 HydrophobicContact CB-CD2 3.94Å; M77-L80 HydrophobicContact CB-CG 4.18Å; M77-L80 HydrophobicContact CE-CD1 4.04Å; M77-L80 HydrophobicContact CE-CD2 3.78Å; M77-L80 HydrophobicContact CE-CG 4.44Å; M77-L80 HydrophobicContact SD-CD2 4.18Å; M77-Y88 HydrophobicContact SD-CD1 4.32Å; M77-Y88 HydrophobicContact SD-CE1 3.7Å; M77-V107 HydrophobicContact CE-CG1 4.07Å; M77-V107 HydrophobicContact CE-CG2 4.19Å
78	N	93.9	Very high	94.3	Very high	53 Å²	53	48 Å²	48	28%	0.283	26%	0.263	S	S	.	.			trans	-105.4	154.3	175.8	-55.2	-50.5	0	0	0	110.1	S9 R61 Q76 L80	S9-N78 WeakPolarHBondContact OG-CA 3.34Å; S9-N78 PolarHBondContact OG-OD1 2.89Å; S9-N78 VanDerWaalsContact OG-OD1 3.13Å; R61-N78 WeakPolarHBondContact O-CB 3.34Å; R61-N78 PolarHBondContact O-N 3.09Å; R61-N78 PolarHBondContact O-ND2 3.06Å; Q76-N78 PolarHBondContact NE2-OD1 3.2Å; N78-L80 PolarHBondContact O-N 2.97Å
79	T	90.6	Very high	94.4	Very high	75 Å²	75	48.3 Å²	48.3	46%	0.46	26%	0.262	S	S	.	.	S	Bend	trans	52.8	53.9	177.1	58.5	0	0	0	0	111.8	G8 R61	G8-T79 PolarHBondContact O-N 2.87Å; R61-T79 WeakPolarHBondContact CD-OG1 3.44Å; R61-T79 PolarHBondContact NH1-O 3.49Å
80	L	91.3	Very high	94.5	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.063	23%	0.229	C	C	.	.			trans	-62	139.8	-179.7	-80.9	164.6	0	0	0	111.6	V4 G7 G8 L10 F62 M77 N78 D84	V4-L80 HydrophobicContact CB-CD1 4.08Å; V4-L80 HydrophobicContact CG1-CD1 3.79Å; V4-L80 HydrophobicContact CG2-CD1 4.36Å; G7-L80 PolarHBondContact N-O 3.39Å; G8-L80 PolarHBondContact O-N 3.06Å; L10-L80 HydrophobicContact CB-CD1 3.85Å; F62-L80 HydrophobicContact CE1-CD2 4.2Å; F62-L80 HydrophobicContact CZ-CD2 4.06Å; M77-L80 HydrophobicContact CB-CD1 4.45Å; M77-L80 HydrophobicContact CB-CD2 3.94Å; M77-L80 HydrophobicContact CB-CG 4.18Å; M77-L80 HydrophobicContact CE-CD1 4.04Å; M77-L80 HydrophobicContact CE-CD2 3.78Å; M77-L80 HydrophobicContact CE-CG 4.44Å; M77-L80 HydrophobicContact SD-CD2 4.18Å; N78-L80 PolarHBondContact O-N 2.97Å; L80-D84 HydrophobicContact CD2-CB 3.71Å
81	R	91.4	Very high	94.5	Very high	138 Å²	138	38.4 Å²	38.4	52%	0.521	21%	0.205	S	C	.	.			trans	-114.6	159.9	177.5	-58.5	175.3	-176.8	177.7	-1	109	E83 D84	R81-E83 PolarHBondContact O-N 3.36Å; R81-D84 PolarHBondContact N-OD2 3.19Å; R81-D84 WeakPolarHBondContact O-CB 3.4Å; R81-D84 PolarHBondContact O-N 2.78Å
82	A	89.4	Confident	94.4	Very high	83 Å²	83	36.6 Å²	36.6	69%	0.686	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-56.7	-33.2	174.2	0	0	0	0	0	112.2	D84 S85	A82-D84 PolarHBondContact O-N 2.84Å; A82-S85 WeakPolarHBondContact O-CB 3.32Å; A82-S85 PolarHBondContact O-N 3.08Å; A82-S85 VanDerWaalsContact O-N 3.12Å
83	E	90.2	Very high	93.8	Very high	153 Å²	153	36.7 Å²	36.7	72%	0.715	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-64.7	-17.1	175.6	-63.6	167.6	-137.3	0	0	113.9	R81 S85	R81-E83 PolarHBondContact O-N 3.36Å; E83-S85 VanDerWaalsContact C-N 3.26Å
84	D	93.3	Very high	92.6	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-83.5	-1.1	176.2	-59.4	-48.7	0	0	0	112.5	R30 R61 F62 L80 R81 A82 A86 Y88	R30-D84 IonicContact NH1-OD1 3.25Å; R30-D84 PolarHBondContact NH1-OD1 3.14Å; R61-D84 IonicContact CZ-OD1 3.75Å; R61-D84 IonicContact CZ-OD2 2.68Å; R61-D84 IonicContact NH1-OD1 2.67Å; R61-D84 IonicContact NH1-OD2 2.87Å; R61-D84 PolarHBondContact NH1-OD2 2.92Å; R61-D84 IonicContact NH2-OD1 3.3Å; R61-D84 PolarHBondContact NH2-OD1 2.85Å; R61-D84 IonicContact NH2-OD2 3.78Å; R61-D84 PolarHBondContact NH2-OD2 3.32Å; F62-D84 HydrophobicContact CZ-CB 4.31Å; L80-D84 HydrophobicContact CD2-CB 3.71Å; R81-D84 PolarHBondContact N-OD2 3.19Å; R81-D84 WeakPolarHBondContact O-CB 3.4Å; R81-D84 PolarHBondContact O-N 2.78Å; A82-D84 PolarHBondContact O-N 2.84Å; D84-A86 PolarHBondContact O-N 3.28Å; D84-Y88 WeakPolarHBondContact O-CE2 3.29Å; D84-Y88 PolarHBondContact O-OH 3.46Å
85	S	93.8	Very high	91.1	Very high	33 Å²	33	48.7 Å²	48.7	23%	0.231	24%	0.24	C	C	.	.			trans	-68.2	117.3	174.1	-175.8	0	0	0	0	111	A82 E83 V107	A82-S85 WeakPolarHBondContact O-CB 3.32Å; A82-S85 PolarHBondContact O-N 3.08Å; A82-S85 VanDerWaalsContact O-N 3.12Å; E83-S85 VanDerWaalsContact C-N 3.26Å; S85-V107 VanDerWaalsContact CA-O 3.32Å; S85-V107 WeakPolarHBondContact CA-O 3.42Å; S85-V107 PolarHBondContact OG-O 2.86Å
86	A	95.8	Very high	89.4	Confident	3 Å²	3	59.3 Å²	59.3	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	170.3	-174.2	0	0	0	0	0	110.8	R30 Q31 P32 D84 Y88 V107	R30-A86 HydrophobicContact CB-CB 3.85Å; R30-A86 HydrophobicContact CG-CB 4.23Å; Q31-A86 WeakPolarHBondContact O-CA 3.37Å; Q31-A86 WeakPolarHBondContact O-CB 3.33Å; P32-A86 HydrophobicContact CG-CB 4.46Å; D84-A86 PolarHBondContact O-N 3.28Å; A86-Y88 HydrophobicContact CB-CD2 4.32Å; A86-Y88 HydrophobicContact CB-CE2 3.84Å; A86-Y88 WeakPolarHBondContact O-CD2 3.25Å; A86-V107 PolarHBondContact N-O 3.29Å; A86-V107 PolarHBondContact O-N 3.21Å
87	T	97	Very high	88.2	Confident	41 Å²	41	58.6 Å²	58.6	25%	0.252	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.1	161.6	-53.5	0	0	0	0	109.4	R30 Q31 Y89	R30-T87 CarbonylContact C-O 3.56Å; R30-T87 VanDerWaalsContact CA-O 3.22Å; R30-T87 WeakPolarHBondContact CA-O 3.34Å; Q31-T87 PolarHBondContact N-O 2.75Å; Q31-T87 PolarHBondContact O-N 2.84Å; T87-Y89 HydrophobicContact CG2-CD2 4.49Å; T87-Y89 HydrophobicContact CG2-CE1 3.96Å; T87-Y89 HydrophobicContact CG2-CE2 3.68Å; T87-Y89 VanDerWaalsContact CG2-OH 3.26Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.48Å; T87-Y89 WeakPolarHBondContact O-CD2 3.39Å; T87-Y89 WeakPolarHBondContact O-CE2 3.14Å
88	Y	97	Very high	87.3	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129	-176.4	-73.7	-103.8	0	0	0	110.9	L12 V29 R30 L40 F62 L75 M77 D84 A86 G104 T105 V107	L12-Y88 HydrophobicContact CD1-CD1 3.91Å; L12-Y88 HydrophobicContact CD1-CD2 4.2Å; L12-Y88 HydrophobicContact CD1-CG 3.64Å; V29-Y88 CarbonylContact O-C 3.59Å; R30-Y88 HydrophobicContact CB-CD1 4.03Å; R30-Y88 HydrophobicContact CB-CE1 4.02Å; R30-Y88 HydrophobicContact CB-CG 4.31Å; L40-Y88 HydrophobicContact CD1-CD1 3.78Å; L40-Y88 HydrophobicContact CD1-CE1 3.47Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.47Å; F62-Y88 HydrophobicContact CE2-CE1 4.26Å; L75-Y88 HydrophobicContact CD2-CD1 3.9Å; L75-Y88 HydrophobicContact CD2-CE1 4.06Å; M77-Y88 HydrophobicContact SD-CD1 4.32Å; M77-Y88 HydrophobicContact SD-CE1 3.7Å; D84-Y88 WeakPolarHBondContact O-CE2 3.29Å; D84-Y88 PolarHBondContact O-OH 3.46Å; A86-Y88 HydrophobicContact CB-CD2 4.32Å; A86-Y88 HydrophobicContact CB-CE2 3.84Å; A86-Y88 WeakPolarHBondContact O-CD2 3.25Å; Y88-G104 CarbonylContact O-C 3.45Å; Y88-G104 WeakPolarHBondContact O-CA 3.49Å; Y88-T105 PolarHBondContact N-O 3.07Å; Y88-T105 PolarHBondContact O-N 3.36Å; Y88-V107 HydrophobicContact CD2-CB 3.99Å; Y88-V107 HydrophobicContact CD2-CG2 3.65Å; Y88-V107 HydrophobicContact CE2-CB 3.79Å; Y88-V107 HydrophobicContact CE2-CG2 3.89Å
89	Y	95.9	Very high	86.6	Confident	44 Å²	44	63.1 Å²	63.1	17%	0.173	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.9	-178.8	-53.6	-91.4	0	0	0	109.8	W28 V29 Q31 L37 T87 W101 G102	W28-Y89 WeakPolarHBondContact CA-O 3.37Å; W28-Y89 VanDerWaalsContact CE3-O 3.31Å; V29-Y89 PolarHBondContact N-O 3.08Å; V29-Y89 PolarHBondContact O-N 3.43Å; Q31-Y89 HydrophobicContact CB-CE2 3.87Å; L37-Y89 HydrophobicContact CD2-CD2 4.09Å; L37-Y89 HydrophobicContact CD2-CE2 4.1Å; T87-Y89 HydrophobicContact CG2-CD2 4.49Å; T87-Y89 HydrophobicContact CG2-CE1 3.96Å; T87-Y89 HydrophobicContact CG2-CE2 3.68Å; T87-Y89 VanDerWaalsContact CG2-OH 3.26Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.48Å; T87-Y89 WeakPolarHBondContact O-CD2 3.39Å; T87-Y89 WeakPolarHBondContact O-CE2 3.14Å; Y89-W101 HydrophobicContact CG-CE3 4.39Å; Y89-G102 WeakPolarHBondContact CD1-O 3.45Å
90	C	95.1	Very high	86.4	Confident	6 Å²	6	64.5 Å²	64.5	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	145.6	161.1	51.4	0	0	0	0	108.9	C14 S27 W28 L73 G102	C14-C90 HydrophobicContact CB-CB 3.44Å; C14-C90 VanDerWaalsContact CB-CB 3.44Å; C14-C90 WeakPolarHBondContact CB-SG 3.4Å; C14-C90 WeakPolarHBondContact SG-CB 3.39Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 3.14Å; S27-C90 CarbonylContact O-C 3.47Å; S27-C90 VanDerWaalsContact O-CA 3.31Å; S27-C90 WeakPolarHBondContact O-CA 3.41Å; W28-C90 HydrophobicContact CH2-CB 4.47Å; W28-C90 HydrophobicContact CZ3-CB 4.45Å; L73-C90 HydrophobicContact CD2-CB 3.9Å; C90-G102 PolarHBondContact O-N 2.82Å
91	A	93.9	Very high	86.4	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.2	172.8	0	0	0	0	0	111.1	S27 M98 Y100 W101	S27-A91 PolarHBondContact N-O 3.07Å; S27-A91 PolarHBondContact O-N 2.88Å; A91-M98 HydrophobicContact CB-CB 4.46Å; A91-M98 HydrophobicContact CB-CE 4.11Å; A91-M98 HydrophobicContact CB-CG 4.18Å; A91-M98 HydrophobicContact CB-SD 4.11Å; A91-Y100 CarbonylContact C-O 3.44Å; A91-Y100 WeakPolarHBondContact CA-O 3.41Å; A91-W101 HydrophobicContact CB-CD2 3.91Å; A91-W101 HydrophobicContact CB-CE3 4.09Å; A91-W101 HydrophobicContact CB-CG 4.37Å; A91-W101 HydrophobicContact CB-CH2 4.47Å; A91-W101 HydrophobicContact CB-CZ2 4.3Å; A91-W101 HydrophobicContact CB-CZ3 4.37Å
92	S	91.8	Very high	86.2	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.007	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	148.2	168.1	66.3	0	0	0	0	109.7	Y25 M98 Y100	Y25-S92 CarbonylContact O-C 3.48Å; S92-M98 VanDerWaalsContact O-CA 3.28Å; S92-M98 WeakPolarHBondContact O-CA 3.43Å; S92-Y100 PolarHBondContact N-O 2.82Å; S92-Y100 WeakPolarHBondContact OG-CB 3.36Å; S92-Y100 WeakPolarHBondContact OG-CD2 3.38Å; S92-Y100 PolarHBondContact OG-N 2.94Å
93	N	83.6	Confident	86.2	Confident	30 Å²	30	68.9 Å²	68.9	16%	0.16	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.6	171.5	-173.2	-23.6	0	0	0	109.9	Y25 Y96 A97	Y25-N93 PolarHBondContact N-O 3.44Å; Y25-N93 VanDerWaalsContact N-O 3.12Å; Y25-N93 PolarHBondContact O-N 3.03Å; N93-Y96 PolarHBondContact OD1-N 2.94Å; N93-A97 WeakPolarHBondContact CA-O 3.5Å
94	W	72.8	Confident	86.2	Confident	106 Å²	106	62.8 Å²	62.8	40%	0.402	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-130	117.3	174.5	-173.3	-104.6	0	0	0	108.8	D23 Y24 Y96 A97	D23-W94 HydrophobicContact CB-CZ3 4.18Å; D23-W94 WeakPolarHBondContact O-CZ3 3.22Å; Y24-W94 HydrophobicContact CD1-CB 3.73Å; Y24-W94 HydrophobicContact CD1-CE3 4.2Å; Y24-W94 HydrophobicContact CD1-CG 4.43Å; Y24-W94 HydrophobicContact CD2-CE3 4.4Å; Y24-W94 HydrophobicContact CE1-CB 3.52Å; Y24-W94 HydrophobicContact CE1-CD2 4.25Å; Y24-W94 HydrophobicContact CE1-CE3 4.26Å; Y24-W94 AromaticContact CE1-CG 3.99Å; Y24-W94 HydrophobicContact CE1-CG 3.99Å; Y24-W94 HydrophobicContact CE2-CE3 4.43Å; Y24-W94 HydrophobicContact CG-CE3 4.29Å; W94-Y96 VanDerWaalsContact C-N 3.28Å; W94-Y96 PolarHBondContact O-N 2.8Å; W94-Y96 VanDerWaalsContact O-N 3.14Å; W94-A97 PolarHBondContact N-O 2.97Å; W94-A97 VanDerWaalsContact N-O 3.08Å; W94-A97 PolarHBondContact O-N 2.97Å
95	Y	64.8	Low	86.1	Confident	183 Å²	183	65.3 Å²	65.3	72%	0.718	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.5	50.4	179.9	-67.3	-96	0	0	0	113.9	A97	Y95-A97 VanDerWaalsContact C-N 3.32Å; Y95-A97 PolarHBondContact O-N 3.13Å
96	Y	63.9	Low	86.1	Confident	224 Å²	224	66.6 Å²	66.6	88%	0.878	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	0.8	176.6	-44.5	-80.8	0	0	0	116.5	N93 W94	N93-Y96 PolarHBondContact OD1-N 2.94Å; W94-Y96 VanDerWaalsContact C-N 3.28Å; W94-Y96 PolarHBondContact O-N 2.8Å; W94-Y96 VanDerWaalsContact O-N 3.14Å
97	A	71.4	Confident	85.8	Confident	39 Å²	39	66.7 Å²	66.7	32%	0.322	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-100.6	137.1	172.8	0	0	0	0	0	111.7	N93 W94 Y95 D99	N93-A97 WeakPolarHBondContact CA-O 3.5Å; W94-A97 PolarHBondContact N-O 2.97Å; W94-A97 VanDerWaalsContact N-O 3.08Å; W94-A97 PolarHBondContact O-N 2.97Å; Y95-A97 VanDerWaalsContact C-N 3.32Å; Y95-A97 PolarHBondContact O-N 3.13Å; A97-D99 WeakPolarHBondContact CB-OD1 3.2Å
98	M	77.4	Confident	85.2	Confident	56 Å²	56	69.4 Å²	69.4	28%	0.276	34%	0.338	S	S	.	.			trans	-101.3	84.5	173.4	-81	178.2	159.3	0	0	110.5	S27 V29 A91 S92 W101	S27-M98 VanDerWaalsContact CB-CE 3.41Å; S27-M98 WeakPolarHBondContact OG-CE 3.43Å; V29-M98 HydrophobicContact CG2-CE 3.82Å; V29-M98 HydrophobicContact CG2-SD 4.37Å; A91-M98 HydrophobicContact CB-CB 4.46Å; A91-M98 HydrophobicContact CB-CE 4.11Å; A91-M98 HydrophobicContact CB-CG 4.18Å; A91-M98 HydrophobicContact CB-SD 4.11Å; S92-M98 VanDerWaalsContact O-CA 3.28Å; S92-M98 WeakPolarHBondContact O-CA 3.43Å; M98-W101 HydrophobicContact CB-CZ2 3.97Å; M98-W101 HydrophobicContact CG-CZ2 4.39Å; M98-W101 PolarHBondContact O-NE1 3.41Å; M98-W101 HydrophobicContact SD-CH2 3.91Å; M98-W101 HydrophobicContact SD-CZ2 3.54Å; M98-W101 VanDerWaalsContact SD-CZ2 3.54Å
99	D	78	Confident	84.7	Confident	92 Å²	92	72.8 Å²	72.8	49%	0.492	36%	0.355	S	S	.	.			trans	-82.4	-34.1	-168.8	-59	-34.4	0	0	0	113.7	A97	A97-D99 WeakPolarHBondContact CB-OD1 3.2Å
100	Y	86.3	Confident	84.1	Confident	104 Å²	104	74.3 Å²	74.3	41%	0.408	36%	0.364	S	S	.	.			trans	-120.5	129.6	-177.3	-57.7	-84.1	0	0	0	111.2	F19 A91 S92	F19-Y100 HydrophobicContact CB-CD2 4.34Å; F19-Y100 HydrophobicContact CB-CE2 4.03Å; F19-Y100 HydrophobicContact CD1-CD1 4.28Å; F19-Y100 AromaticContact CD1-CD2 3.84Å; F19-Y100 HydrophobicContact CD1-CD2 3.84Å; F19-Y100 HydrophobicContact CD1-CE2 4.32Å; F19-Y100 AromaticContact CD1-CG 3.84Å; F19-Y100 HydrophobicContact CD1-CG 3.84Å; F19-Y100 HydrophobicContact CE1-CD2 4.37Å; F19-Y100 HydrophobicContact CE1-CG 4.16Å; F19-Y100 HydrophobicContact CG-CD2 4.12Å; F19-Y100 HydrophobicContact CG-CE2 4.32Å; A91-Y100 CarbonylContact C-O 3.44Å; A91-Y100 WeakPolarHBondContact CA-O 3.41Å; S92-Y100 PolarHBondContact N-O 2.82Å; S92-Y100 WeakPolarHBondContact OG-CB 3.36Å; S92-Y100 WeakPolarHBondContact OG-CD2 3.38Å; S92-Y100 PolarHBondContact OG-N 2.94Å
101	W	90.8	Very high	83.5	Confident	110 Å²	110	78.1 Å²	78.1	42%	0.417	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-121.5	139.1	-179.8	-70.6	75	0	0	0	111.3	V29 L37 Y89 A91 M98	V29-W101 HydrophobicContact CB-CH2 4.16Å; V29-W101 HydrophobicContact CB-CZ3 3.85Å; V29-W101 HydrophobicContact CG1-CH2 4.04Å; V29-W101 HydrophobicContact CG1-CZ3 3.95Å; V29-W101 HydrophobicContact CG2-CH2 3.86Å; V29-W101 HydrophobicContact CG2-CZ3 3.94Å; L37-W101 HydrophobicContact CD1-CH2 4.11Å; L37-W101 HydrophobicContact CD1-CZ3 4.32Å; L37-W101 HydrophobicContact CD2-CZ3 4.48Å; Y89-W101 HydrophobicContact CG-CE3 4.39Å; A91-W101 HydrophobicContact CB-CD2 3.91Å; A91-W101 HydrophobicContact CB-CE3 4.09Å; A91-W101 HydrophobicContact CB-CG 4.37Å; A91-W101 HydrophobicContact CB-CH2 4.47Å; A91-W101 HydrophobicContact CB-CZ2 4.3Å; A91-W101 HydrophobicContact CB-CZ3 4.37Å; M98-W101 HydrophobicContact CB-CZ2 3.97Å; M98-W101 HydrophobicContact CG-CZ2 4.39Å; M98-W101 PolarHBondContact O-NE1 3.41Å; M98-W101 HydrophobicContact SD-CH2 3.91Å; M98-W101 HydrophobicContact SD-CZ2 3.54Å; M98-W101 VanDerWaalsContact SD-CZ2 3.54Å
102	G	88.9	Confident	82.8	Confident	24 Å²	24	82.6 Å²	82.6	25%	0.247	40%	0.404	C	S	.	.			trans	-74	162.8	169.4	0	0	0	0	0	112.4	Y89 C90 G104	Y89-G102 WeakPolarHBondContact CD1-O 3.45Å; C90-G102 PolarHBondContact O-N 2.82Å; G102-G104 PolarHBondContact O-N 2.99Å; G102-G104 VanDerWaalsContact O-N 3.12Å
103	Q	88	Confident	82.3	Confident	192 Å²	192	87.8 Å²	87.8	90%	0.897	43%	0.429	S	S	*	.			trans	-64.6	-15.5	-178.9	-67.8	-66.3	-40.1	0	0	114.4
104	G	89.9	Confident	82.2	Confident	25 Å²	25	91.6 Å²	91.6	26%	0.258	45%	0.447	S	S	.	.			trans	89.8	150.9	-178.7	0	0	0	0	0	113.3	Y88 G102	Y88-G104 CarbonylContact O-C 3.45Å; Y88-G104 WeakPolarHBondContact O-CA 3.49Å; G102-G104 PolarHBondContact O-N 2.99Å; G102-G104 VanDerWaalsContact O-N 3.12Å
105	T	93.1	Very high	82.9	Confident	57 Å²	57	90.6 Å²	90.6	35%	0.35	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.8	173.8	-66.8	0	0	0	0	110	L12 Y88	L12-T105 HydrophobicContact CD2-CG2 4.27Å; Y88-T105 PolarHBondContact N-O 3.07Å; Y88-T105 PolarHBondContact O-N 3.36Å
106	S	92.4	Very high	84.2	Confident	59 Å²	59	83.5 Å²	83.5	41%	0.413	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	132.4	174.8	-169.6	0	0	0	0	111	G1	G1-S106 WeakPolarHBondContact CA-O 3.44Å
107	V	90.5	Very high	85.9	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.03	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.7	171	-179.3	0	0	0	0	108.5	L10 L12 M77 S85 A86 Y88	L10-V107 HydrophobicContact CD2-CG1 3.9Å; L10-V107 HydrophobicContact CD2-CG2 3.89Å; L12-V107 HydrophobicContact CD1-CG2 4.08Å; L12-V107 HydrophobicContact CD2-CG2 3.92Å; M77-V107 HydrophobicContact CE-CG1 4.07Å; M77-V107 HydrophobicContact CE-CG2 4.19Å; S85-V107 VanDerWaalsContact CA-O 3.32Å; S85-V107 WeakPolarHBondContact CA-O 3.42Å; S85-V107 PolarHBondContact OG-O 2.86Å; A86-V107 PolarHBondContact N-O 3.29Å; A86-V107 PolarHBondContact O-N 3.21Å; Y88-V107 HydrophobicContact CD2-CB 3.99Å; Y88-V107 HydrophobicContact CD2-CG2 3.65Å; Y88-V107 HydrophobicContact CE2-CB 3.79Å; Y88-V107 HydrophobicContact CE2-CG2 3.89Å
108	T	84.7	Confident	87.3	Confident	98 Å²	98	74.7 Å²	74.7	60%	0.601	40%	0.399	S	S	*	.			trans	-137.2	0	-177.9	40.7	0	0	0	0	110.5	L3 V4	L3-T108 WeakPolarHBondContact CA-O 3.39Å; V4-T108 PolarHBondContact N-O 2.64Å

Retrieved 108 of 108 residues in 41.8 ms (Link to these results)

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