X5J4K3_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4K3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 92 aa.

						>X5J4K3_MOUSE|X5J4K3
GGLVQPKGSLKISCAASGFSFNTYAMNWVRQAPGKGLEWVARIRSKFNNYATYYVDSVKERFTISRDDSETMLYLQMNNLKTEDSAMYYCVR
					

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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	58.4	Low	81.4	Confident	118 Å²	118	98.7 Å²	98.7	100%	1.216	59%	0.594	S	S	*	*				0	149.9	0	0	0	0	0	0	109
2	G	71.2	Confident	82.7	Confident	47 Å²	47	92.1 Å²	92.1	49%	0.485	55%	0.553	S	S	.	*			trans	-104.4	156.3	180	0	0	0	0	0	112.4
3	L	73.9	Confident	83.9	Confident	189 Å²	189	90.8 Å²	90.8	99%	0.99	55%	0.551	S	S	*	*			trans	-73.8	129.8	169.1	-67.8	168.7	0	0	0	109
4	V	78.3	Confident	84.8	Confident	65 Å²	65	85.6 Å²	85.6	39%	0.394	52%	0.52	S	S	.	.			trans	-131.8	141.1	179.4	-177.3	0	0	0	0	109.1	L10 L80	V4-L10 HydrophobicContact CG2-CB 3.96Å; V4-L10 HydrophobicContact CG2-CD1 3.95Å; V4-L10 HydrophobicContact CG2-CD2 4.2Å; V4-L10 HydrophobicContact CG2-CG 4.25Å; V4-L80 HydrophobicContact CB-CD1 4.25Å; V4-L80 HydrophobicContact CG1-CD1 4.25Å
5	Q	78.8	Confident	85.7	Confident	165 Å²	165	84.8 Å²	84.8	77%	0.771	53%	0.526	S	S	*	.			trans	-67.5	151.7	176.2	-68.2	-169.2	3.5	0	0	111.4	G8	Q5-G8 PolarHBondContact O-N 3.21Å
6	P	75.9	Confident	86.2	Confident	83 Å²	83	80.6 Å²	80.6	54%	0.539	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	147.7	170.3	-24.3	33.9	0	0	0	111.7	G8	P6-G8 PolarHBondContact O-N 3.26Å
7	K	83.9	Confident	86.7	Confident	183 Å²	183	82.1 Å²	82.1	80%	0.796	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	-5.6	-169.6	-51	177.5	178.7	178.5	0	115.4	L80	K7-L80 PolarHBondContact N-O 3.09Å
8	G	90.4	Very high	87.1	Confident	21 Å²	21	82.4 Å²	82.4	22%	0.216	54%	0.538	C	S	.	.			trans	-72.9	176	171.3	0	0	0	0	0	113	Q5 P6 N79 L80	Q5-G8 PolarHBondContact O-N 3.21Å; P6-G8 PolarHBondContact O-N 3.26Å; G8-N79 PolarHBondContact O-N 2.75Å; G8-L80 WeakPolarHBondContact O-CB 3.11Å; G8-L80 PolarHBondContact O-N 2.81Å; G8-L80 VanDerWaalsContact O-N 3.08Å
9	S	93.9	Very high	87.4	Confident	62 Å²	62	80.9 Å²	80.9	43%	0.434	52%	0.522	S	S	.	.			trans	-119.6	144.8	171.8	-62.9	0	0	0	0	110.5	M77 N78	S9-M77 CarbonylContact C-O 3.53Å; S9-M77 WeakPolarHBondContact CA-O 3.28Å; S9-N78 WeakPolarHBondContact CB-OD1 3.38Å; S9-N78 WeakPolarHBondContact OG-CA 3.26Å; S9-N78 PolarHBondContact OG-OD1 2.73Å; S9-N78 VanDerWaalsContact OG-OD1 3.05Å
10	L	94.8	Very high	87.7	Confident	37 Å²	37	80.8 Å²	80.8	19%	0.194	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137	176.3	177.6	61.6	0	0	0	109.5	V4 I12 M77 L80	V4-L10 HydrophobicContact CG2-CB 3.96Å; V4-L10 HydrophobicContact CG2-CD1 3.95Å; V4-L10 HydrophobicContact CG2-CD2 4.2Å; V4-L10 HydrophobicContact CG2-CG 4.25Å; L10-I12 HydrophobicContact CD2-CG2 3.85Å; L10-I12 HydrophobicContact CG-CG2 3.99Å; L10-M77 HydrophobicContact CB-CE 3.91Å; L10-M77 HydrophobicContact CD2-CE 3.66Å; L10-M77 HydrophobicContact CG-CE 3.8Å; L10-M77 PolarHBondContact N-O 2.78Å; L10-M77 WeakPolarHBondContact O-CB 3.49Å; L10-M77 PolarHBondContact O-N 2.99Å; L10-L80 HydrophobicContact CB-CD1 3.93Å
11	K	96.3	Very high	88.1	Confident	116 Å²	116	77.3 Å²	77.3	50%	0.504	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.4	166.2	-166	176.9	176	-174.1	0	108.8	Y74 L75	K11-Y74 VanDerWaalsContact CE-CD1 3.44Å; K11-L75 WeakPolarHBondContact CA-O 3.37Å
12	I	96.9	Very high	89.7	Confident	19 Å²	19	75.1 Å²	75.1	10%	0.097	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	151.4	168.5	60.5	175.5	0	0	0	109.9	L10 W28 Y74 L75 M77 Y88	L10-I12 HydrophobicContact CD2-CG2 3.85Å; L10-I12 HydrophobicContact CG-CG2 3.99Å; I12-W28 HydrophobicContact CB-CH2 4.5Å; I12-W28 HydrophobicContact CD1-CD2 4.47Å; I12-W28 HydrophobicContact CD1-CE3 3.95Å; I12-W28 HydrophobicContact CD1-CH2 3.73Å; I12-W28 HydrophobicContact CD1-CZ2 4.27Å; I12-W28 HydrophobicContact CD1-CZ3 3.56Å; I12-W28 HydrophobicContact CG1-CH2 3.88Å; I12-W28 HydrophobicContact CG1-CZ2 4.11Å; I12-W28 HydrophobicContact CG1-CZ3 4.24Å; I12-Y74 WeakPolarHBondContact O-CA 3.33Å; I12-L75 HydrophobicContact CD1-CB 4.23Å; I12-L75 HydrophobicContact CD1-CD2 4.19Å; I12-L75 HydrophobicContact CG1-CB 3.75Å; I12-L75 PolarHBondContact N-O 2.71Å; I12-L75 PolarHBondContact O-N 3.33Å; I12-M77 HydrophobicContact CB-CE 4.47Å; I12-M77 HydrophobicContact CD1-CE 4.04Å; I12-M77 HydrophobicContact CD1-SD 4.41Å; I12-M77 HydrophobicContact CG1-CE 4.01Å; I12-M77 HydrophobicContact CG2-CE 3.77Å; I12-Y88 HydrophobicContact CD1-CD1 4.12Å; I12-Y88 HydrophobicContact CD1-CG 3.84Å
13	S	97.7	Very high	90.8	Very high	75 Å²	75	75.8 Å²	75.8	52%	0.524	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155	-179.4	59	0	0	0	0	111.1	L73	S13-L73 CarbonylContact C-O 3.53Å; S13-L73 VanDerWaalsContact CA-O 3.26Å; S13-L73 WeakPolarHBondContact CA-O 3.32Å
14	C	97.4	Very high	91.9	Very high	18 Å²	18	71.7 Å²	71.7	12%	0.122	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	122	174	163.5	0	0	0	0	109.6	W28 M72 L73 C90	C14-W28 HydrophobicContact CB-CH2 3.79Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; C14-M72 WeakPolarHBondContact O-CA 3.4Å; C14-L73 HydrophobicContact CB-CB 4.35Å; C14-L73 PolarHBondContact N-O 3.16Å; C14-L73 PolarHBondContact O-N 3.26Å; C14-C90 HydrophobicContact CB-CB 3.44Å; C14-C90 VanDerWaalsContact CB-CB 3.44Å; C14-C90 WeakPolarHBondContact CB-SG 3.41Å; C14-C90 WeakPolarHBondContact SG-CB 3.39Å; C14-C90 CovalentContact SG-SG 2.01Å; C14-C90 PolarHBondContact SG-SG 3.1Å
15	A	97.1	Very high	92.8	Very high	74 Å²	74	70 Å²	70	61%	0.612	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.4	169.6	0	0	0	0	0	109.2	M72	A15-M72 WeakPolarHBondContact CA-SD 3.01Å; A15-M72 HydrophobicContact CB-SD 3.53Å; A15-M72 VanDerWaalsContact CB-SD 3.53Å
16	A	94.8	Very high	93.7	Very high	18 Å²	18	62.4 Å²	62.4	15%	0.149	39%	0.385	C	S	.	.			trans	-102.3	149.4	174.3	0	0	0	0	0	110.8	F19 F21 T71	A16-F19 HydrophobicContact CB-CE1 3.86Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; A16-F21 HydrophobicContact CB-CD2 3.54Å; A16-F21 HydrophobicContact CB-CE2 3.87Å; A16-T71 HydrophobicContact CB-CG2 4.01Å; A16-T71 PolarHBondContact N-O 2.88Å; A16-T71 WeakPolarHBondContact O-CG2 3.44Å
17	S	94.8	Very high	94.7	Very high	106 Å²	106	59.5 Å²	59.5	74%	0.741	37%	0.365	S	S	*	.			trans	-151.4	162.4	176.5	64	0	0	0	0	110.2	F19	S17-F19 VanDerWaalsContact O-CD1 3.27Å; S17-F19 WeakPolarHBondContact O-CD1 3.3Å
18	G	94.3	Very high	95.4	Very high	88 Å²	88	51.1 Å²	51.1	91%	0.907	33%	0.329	S	S	*	.	S	Bend	trans	81.3	9.3	177.7	0	0	0	0	0	115.6
19	F	92.5	Very high	95.8	Very high	54 Å²	54	51 Å²	51	24%	0.237	32%	0.324	C	S	.	.	S	Bend	trans	-158.9	164.7	173.4	62.9	-84.6	0	0	0	113.4	A16 S17 F21 Y24 M26 R92	A16-F19 HydrophobicContact CB-CE1 3.86Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; S17-F19 VanDerWaalsContact O-CD1 3.27Å; S17-F19 WeakPolarHBondContact O-CD1 3.3Å; F19-F21 VanDerWaalsContact C-N 3.34Å; F19-F21 HydrophobicContact CE2-CB 4.16Å; F19-F21 AromaticContact CE2-CD2 3.95Å; F19-F21 HydrophobicContact CE2-CD2 3.95Å; F19-F21 HydrophobicContact CZ-CD2 4.09Å; F19-F21 PolarHBondContact O-N 3.09Å; F19-Y24 HydrophobicContact CB-CE2 4.47Å; F19-Y24 AromaticContact CD2-CD2 3.75Å; F19-Y24 HydrophobicContact CD2-CD2 3.75Å; F19-Y24 HydrophobicContact CD2-CE2 4.28Å; F19-Y24 HydrophobicContact CD2-CG 4.32Å; F19-Y24 HydrophobicContact CE2-CD2 4.4Å; F19-M26 HydrophobicContact CE2-SD 3.94Å; F19-M26 HydrophobicContact CZ-CE 4.12Å; F19-M26 HydrophobicContact CZ-SD 3.92Å; F19-R92 HydrophobicContact CD2-CG 4.42Å; F19-R92 HydrophobicContact CE2-CB 4.43Å; F19-R92 HydrophobicContact CE2-CG 3.94Å; F19-R92 VanDerWaalsContact CG-NH1 3.33Å; F19-R92 HydrophobicContact CZ-CB 4.18Å; F19-R92 HydrophobicContact CZ-CG 4.19Å
20	S	93.8	Very high	96	Very high	78 Å²	78	48.9 Å²	48.9	55%	0.545	31%	0.306	S	S	.	.			trans	-73	80.5	175.4	-53.6	0	0	0	0	112	N22 T23 Y24	S20-N22 VanDerWaalsContact C-N 3.29Å; S20-N22 PolarHBondContact O-N 3.23Å; S20-N22 VanDerWaalsContact O-N 3.14Å; S20-N22 PolarHBondContact O-OD1 3.38Å; S20-T23 PolarHBondContact O-N 3.2Å; S20-T23 PolarHBondContact O-OG1 2.81Å; S20-Y24 WeakPolarHBondContact O-CD2 3.43Å
21	F	94.5	Very high	96.1	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.031	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-46.1	-46.8	-173	-178.9	-104.1	0	0	0	114.5	A16 F19 T23 Y24 M26 R66 D68 T71 L73	A16-F21 HydrophobicContact CB-CD2 3.54Å; A16-F21 HydrophobicContact CB-CE2 3.87Å; F19-F21 VanDerWaalsContact C-N 3.34Å; F19-F21 HydrophobicContact CE2-CB 4.16Å; F19-F21 AromaticContact CE2-CD2 3.95Å; F19-F21 HydrophobicContact CE2-CD2 3.95Å; F19-F21 HydrophobicContact CZ-CD2 4.09Å; F19-F21 PolarHBondContact O-N 3.09Å; F21-T23 PolarHBondContact O-N 2.94Å; F21-Y24 PolarHBondContact O-N 2.92Å; F21-Y24 VanDerWaalsContact O-N 3.16Å; F21-M26 HydrophobicContact CD2-CE 4.43Å; F21-M26 HydrophobicContact CD2-CG 4.13Å; F21-M26 HydrophobicContact CD2-SD 3.87Å; F21-M26 HydrophobicContact CE2-CE 3.98Å; F21-M26 HydrophobicContact CE2-CG 3.53Å; F21-M26 HydrophobicContact CE2-SD 3.72Å; F21-M26 HydrophobicContact CZ-CG 4.02Å; F21-R66 VanDerWaalsContact C-NH2 3.26Å; F21-R66 HydrophobicContact CE1-CB 4.16Å; F21-R66 VanDerWaalsContact CE1-NH2 3.31Å; F21-R66 HydrophobicContact CZ-CB 4.15Å; F21-R66 PolarHBondContact O-NH2 3.12Å; F21-D68 VanDerWaalsContact CD1-OD1 3.32Å; F21-D68 WeakPolarHBondContact CD1-OD1 3.34Å; F21-D68 WeakPolarHBondContact CE1-OD1 2.99Å; F21-T71 HydrophobicContact CB-CG2 3.59Å; F21-T71 HydrophobicContact CD1-CG2 4.31Å; F21-T71 HydrophobicContact CD2-CG2 4.19Å; F21-T71 HydrophobicContact CG-CG2 3.81Å; F21-L73 HydrophobicContact CZ-CB 4.3Å
22	N	93.4	Very high	96.1	Very high	72 Å²	72	46 Å²	46	39%	0.385	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-57.3	-21.5	-178.4	66.9	-9.2	0	0	0	115.4	S20 S45 D68	S20-N22 VanDerWaalsContact C-N 3.29Å; S20-N22 PolarHBondContact O-N 3.23Å; S20-N22 VanDerWaalsContact O-N 3.14Å; S20-N22 PolarHBondContact O-OD1 3.38Å; N22-S45 VanDerWaalsContact O-CB 3.28Å; N22-S45 WeakPolarHBondContact O-CB 3.32Å; N22-D68 HydrophobicContact CB-CB 4.24Å
23	T	94.4	Very high	96	Very high	62 Å²	62	51 Å²	51	38%	0.38	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-92.9	-20.9	-177.5	60.8	0	0	0	0	113.3	S20 F21 S45 F47	S20-T23 PolarHBondContact O-N 3.2Å; S20-T23 PolarHBondContact O-OG1 2.81Å; F21-T23 PolarHBondContact O-N 2.94Å; T23-S45 VanDerWaalsContact O-CB 3.32Å; T23-S45 WeakPolarHBondContact O-CB 3.14Å; T23-S45 PolarHBondContact O-OG 2.81Å; T23-F47 HydrophobicContact CG2-CE2 3.96Å
24	Y	95.4	Very high	95.9	Very high	102 Å²	102	51.9 Å²	51.9	40%	0.4	35%	0.351	S	S	.	.	S	Bend	trans	-98.1	148.8	-177.1	-69	-95	0	0	0	112.2	F19 S20 F21 R66 R92	F19-Y24 HydrophobicContact CB-CE2 4.47Å; F19-Y24 AromaticContact CD2-CD2 3.75Å; F19-Y24 HydrophobicContact CD2-CD2 3.75Å; F19-Y24 HydrophobicContact CD2-CE2 4.28Å; F19-Y24 HydrophobicContact CD2-CG 4.32Å; F19-Y24 HydrophobicContact CE2-CD2 4.4Å; S20-Y24 WeakPolarHBondContact O-CD2 3.43Å; F21-Y24 PolarHBondContact O-N 2.92Å; F21-Y24 VanDerWaalsContact O-N 3.16Å; Y24-R66 PolarHBondContact O-NH1 2.82Å; Y24-R92 VanDerWaalsContact CD1-CD 3.45Å; Y24-R92 HydrophobicContact CD1-CG 3.68Å; Y24-R92 VanDerWaalsContact CE2-NH1 3.31Å; Y24-R92 HydrophobicContact CG-CG 3.71Å; Y24-R92 PolarHBondContact OH-NH1 2.61Å
25	A	97.1	Very high	95.8	Very high	31 Å²	31	56.8 Å²	56.8	26%	0.256	37%	0.37	S	S	.	.			trans	-69.2	153.2	161.5	0	0	0	0	0	109.1	R42 I43	A25-R42 HydrophobicContact CB-CG 4.37Å; A25-I43 WeakPolarHBondContact CA-O 3.33Å
26	M	98.1	Very high	95.7	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.02	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145	176.9	-61.6	-59	-55.1	0	0	109.1	F19 F21 R42 I43 L73 R92	F19-M26 HydrophobicContact CE2-SD 3.94Å; F19-M26 HydrophobicContact CZ-CE 4.12Å; F19-M26 HydrophobicContact CZ-SD 3.92Å; F21-M26 HydrophobicContact CD2-CE 4.43Å; F21-M26 HydrophobicContact CD2-CG 4.13Å; F21-M26 HydrophobicContact CD2-SD 3.87Å; F21-M26 HydrophobicContact CE2-CE 3.98Å; F21-M26 HydrophobicContact CE2-CG 3.53Å; F21-M26 HydrophobicContact CE2-SD 3.72Å; F21-M26 HydrophobicContact CZ-CG 4.02Å; M26-R42 CarbonylContact O-C 3.6Å; M26-R42 VanDerWaalsContact O-CA 3.32Å; M26-R42 WeakPolarHBondContact O-CA 3.45Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.47Å; M26-I43 PolarHBondContact O-N 2.88Å; M26-L73 HydrophobicContact CB-CD1 3.63Å; M26-L73 HydrophobicContact CB-CD2 3.87Å; M26-L73 HydrophobicContact CB-CG 4.33Å; M26-L73 HydrophobicContact CE-CD2 4.43Å; M26-L73 HydrophobicContact CG-CD1 4.3Å; M26-R92 HydrophobicContact CE-CB 4.29Å; M26-R92 HydrophobicContact SD-CB 4.08Å; M26-R92 HydrophobicContact SD-CG 4.08Å
27	N	98.3	Very high	95.8	Very high	22 Å²	22	60.6 Å²	60.6	12%	0.118	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.3	-175.5	-53	-91.4	0	0	0	110.4	W39 A41 R42 C90 V91 R92	N27-W39 PolarHBondContact OD1-NE1 3.48Å; N27-A41 CarbonylContact C-O 3.44Å; N27-A41 VanDerWaalsContact CA-O 3.24Å; N27-A41 WeakPolarHBondContact CA-O 3.4Å; N27-R42 VanDerWaalsContact OD1-CB 3.31Å; N27-R42 WeakPolarHBondContact OD1-CB 3.44Å; N27-R42 WeakPolarHBondContact OD1-CD 3.31Å; N27-R42 VanDerWaalsContact OD1-CG 3.23Å; N27-R42 WeakPolarHBondContact OD1-CG 3.23Å; N27-C90 CarbonylContact O-C 3.56Å; N27-C90 WeakPolarHBondContact O-CA 3.41Å; N27-V91 HydrophobicContact CB-CG2 3.68Å; N27-V91 PolarHBondContact N-O 3.01Å; N27-V91 PolarHBondContact O-N 2.81Å; N27-R92 PolarHBondContact ND2-OXT 2.73Å; N27-R92 VanDerWaalsContact ND2-OXT 3.13Å
28	W	98.5	Very high	95.9	Very high	8 Å²	8	58.5 Å²	58.5	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.5	160.6	-76.2	101.2	0	0	0	109.2	I12 C14 V40 A41 L73 Y74 L75 Y89 C90	I12-W28 HydrophobicContact CB-CH2 4.5Å; I12-W28 HydrophobicContact CD1-CD2 4.47Å; I12-W28 HydrophobicContact CD1-CE3 3.95Å; I12-W28 HydrophobicContact CD1-CH2 3.73Å; I12-W28 HydrophobicContact CD1-CZ2 4.27Å; I12-W28 HydrophobicContact CD1-CZ3 3.56Å; I12-W28 HydrophobicContact CG1-CH2 3.88Å; I12-W28 HydrophobicContact CG1-CZ2 4.11Å; I12-W28 HydrophobicContact CG1-CZ3 4.24Å; C14-W28 HydrophobicContact CB-CH2 3.79Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; W28-V40 HydrophobicContact CB-CB 4.29Å; W28-V40 WeakPolarHBondContact O-CB 3.3Å; W28-V40 PolarHBondContact O-N 2.99Å; W28-A41 PolarHBondContact N-O 2.87Å; W28-A41 PolarHBondContact O-N 3.08Å; W28-L73 HydrophobicContact CD2-CD2 4.35Å; W28-L73 HydrophobicContact CG-CD2 4.44Å; W28-L73 HydrophobicContact CZ2-CD2 4.19Å; W28-L73 HydrophobicContact CZ2-CG 4.32Å; W28-Y74 PolarHBondContact NE1-O 3.15Å; W28-L75 HydrophobicContact CB-CD2 4.22Å; W28-L75 HydrophobicContact CD2-CB 4.17Å; W28-L75 HydrophobicContact CD2-CD2 4.27Å; W28-L75 HydrophobicContact CG-CB 4.21Å; W28-L75 HydrophobicContact CG-CD1 4.46Å; W28-L75 HydrophobicContact CG-CD2 3.99Å; W28-L75 HydrophobicContact CG-CG 4.47Å; W28-L75 HydrophobicContact CZ2-CB 4.27Å; W28-Y89 WeakPolarHBondContact CA-O 3.36Å; W28-Y89 VanDerWaalsContact CE3-C 3.49Å; W28-C90 HydrophobicContact CE3-CB 4.34Å; W28-C90 HydrophobicContact CH2-CB 4.2Å; W28-C90 HydrophobicContact CZ2-CB 4.41Å; W28-C90 HydrophobicContact CZ3-CB 4.16Å
29	V	98.3	Very high	96.1	Very high	19 Å²	19	59.1 Å²	59.1	12%	0.115	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.3	173.7	-128.4	0	0	0	0	107.2	L37 E38 Y88 Y89 V91	V29-L37 HydrophobicContact CG1-CB 4.22Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.48Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.43Å; V29-Y88 CarbonylContact O-C 3.51Å; V29-Y88 WeakPolarHBondContact O-CA 3.46Å; V29-Y89 PolarHBondContact N-O 3.15Å; V29-Y89 PolarHBondContact O-N 3.45Å; V29-V91 HydrophobicContact CG2-CB 4.17Å; V29-V91 HydrophobicContact CG2-CG1 3.66Å; V29-V91 HydrophobicContact CG2-CG2 3.39Å
30	R	97.4	Very high	96.4	Very high	16 Å²	16	56.5 Å²	56.5	6%	0.06	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.2	174.4	73.8	-178.4	-177.9	-175.2	3.4	112.1	E38 V40 D84 A86 M87 Y88	R30-E38 HydrophobicContact CG-CB 4.06Å; R30-E38 IonicContact CZ-OE2 2.94Å; R30-E38 PolarHBondContact N-O 3.2Å; R30-E38 IonicContact NE-OE2 3.2Å; R30-E38 PolarHBondContact NE-OE2 3.21Å; R30-E38 VanDerWaalsContact NE-OE2 3.09Å; R30-E38 IonicContact NH2-OE2 3.39Å; R30-E38 PolarHBondContact NH2-OE2 2.98Å; R30-E38 PolarHBondContact O-N 2.97Å; R30-V40 HydrophobicContact CB-CG2 3.8Å; R30-V40 HydrophobicContact CG-CG2 3.55Å; R30-D84 IonicContact NH1-OD1 3.15Å; R30-D84 PolarHBondContact NH1-OD1 3.14Å; R30-D84 VanDerWaalsContact NH1-OD1 3.1Å; R30-A86 HydrophobicContact CB-CB 3.92Å; R30-A86 HydrophobicContact CG-CB 4.24Å; R30-M87 CarbonylContact C-O 3.54Å; R30-M87 WeakPolarHBondContact CA-O 3.39Å; R30-Y88 HydrophobicContact CB-CD1 3.89Å; R30-Y88 HydrophobicContact CB-CD2 4.49Å; R30-Y88 HydrophobicContact CB-CE1 3.8Å; R30-Y88 HydrophobicContact CB-CE2 4.4Å; R30-Y88 HydrophobicContact CB-CG 4.23Å
31	Q	97.6	Very high	96.6	Very high	76 Å²	76	52.8 Å²	52.8	36%	0.355	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	110.6	173.4	-165.7	177	18.8	0	0	109.7	K35 L37 A86 M87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.34Å; Q31-K35 PolarHBondContact NE2-O 3.1Å; Q31-L37 HydrophobicContact CB-CD2 4.04Å; Q31-A86 WeakPolarHBondContact O-CB 3.41Å; Q31-M87 PolarHBondContact N-O 3.1Å; Q31-M87 PolarHBondContact O-N 2.93Å; Q31-Y89 HydrophobicContact CB-CE2 3.96Å
32	A	96.2	Very high	96.8	Very high	16 Å²	16	55.9 Å²	55.9	13%	0.132	32%	0.317	C	S	.	.			trans	-79.7	154.3	170.9	0	0	0	0	0	110.3	G34 K35 A86	A32-G34 PolarHBondContact O-N 3.2Å; A32-K35 HydrophobicContact CB-CB 4.22Å; A32-K35 HydrophobicContact CB-CD 4.08Å; A32-K35 HydrophobicContact CB-CG 4.21Å; A32-K35 PolarHBondContact O-N 2.69Å; A32-A86 HydrophobicContact CB-CB 4.3Å
33	P	95.1	Very high	97	Very high	124 Å²	124	52.9 Å²	52.9	81%	0.805	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	127.9	175.3	-25.8	34.8	0	0	0	111.9	K35	P33-K35 PolarHBondContact O-N 2.88Å
34	G	95.3	Very high	97.2	Very high	94 Å²	94	53.9 Å²	53.9	97%	0.969	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	5.1	-178.8	0	0	0	0	0	115.6	A32	A32-G34 PolarHBondContact O-N 3.2Å
35	K	94.6	Very high	97.2	Very high	121 Å²	121	49.3 Å²	49.3	53%	0.526	28%	0.281	S	S	.	.			trans	-112.2	160.2	175.8	-62.8	-163.7	-179.5	-179.4	0	112.5	Q31 A32 P33 E38	Q31-K35 WeakPolarHBondContact CG-O 3.34Å; Q31-K35 PolarHBondContact NE2-O 3.1Å; A32-K35 HydrophobicContact CB-CB 4.22Å; A32-K35 HydrophobicContact CB-CD 4.08Å; A32-K35 HydrophobicContact CB-CG 4.21Å; A32-K35 PolarHBondContact O-N 2.69Å; P33-K35 PolarHBondContact O-N 2.88Å; K35-E38 IonicContact NZ-OE1 2.69Å
36	G	95.5	Very high	97	Very high	52 Å²	52	54 Å²	54	54%	0.536	30%	0.296	S	S	.	.			trans	-72.5	-179.2	168.8	0	0	0	0	0	112.7
37	L	96.8	Very high	96.8	Very high	120 Å²	120	61.6 Å²	61.6	63%	0.628	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.4	173.9	-68.4	168.1	0	0	0	110.4	V29 Q31 Y89	V29-L37 HydrophobicContact CG1-CB 4.22Å; Q31-L37 HydrophobicContact CB-CD2 4.04Å; L37-Y89 HydrophobicContact CD2-CD2 4.21Å; L37-Y89 HydrophobicContact CD2-CE2 4.32Å
38	E	97.2	Very high	96.7	Very high	62 Å²	62	64.1 Å²	64.1	29%	0.29	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.4	176.5	-66.5	177.9	-179.2	0	0	109.5	V29 R30 K35	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.48Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.43Å; R30-E38 HydrophobicContact CG-CB 4.06Å; R30-E38 IonicContact CZ-OE2 2.94Å; R30-E38 PolarHBondContact N-O 3.2Å; R30-E38 IonicContact NE-OE2 3.2Å; R30-E38 PolarHBondContact NE-OE2 3.21Å; R30-E38 VanDerWaalsContact NE-OE2 3.09Å; R30-E38 IonicContact NH2-OE2 3.39Å; R30-E38 PolarHBondContact NH2-OE2 2.98Å; R30-E38 PolarHBondContact O-N 2.97Å; K35-E38 IonicContact NZ-OE1 2.69Å
39	W	98	Very high	96.6	Very high	101 Å²	101	70.7 Å²	70.7	38%	0.383	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.5	172.4	177	90	0	0	0	110.7	N27 A41 R42 Y54 V55	N27-W39 PolarHBondContact OD1-NE1 3.48Å; W39-A41 VanDerWaalsContact CZ2-C 3.49Å; W39-A41 PolarHBondContact NE1-O 2.96Å; W39-R42 HydrophobicContact CZ2-CB 3.6Å; W39-Y54 VanDerWaalsContact CZ3-C 3.44Å; W39-V55 HydrophobicContact CE3-CB 4.2Å; W39-V55 HydrophobicContact CZ3-CB 4.14Å; W39-V55 VanDerWaalsContact CZ3-N 3.31Å
40	V	98.1	Very high	96.5	Very high	0 Å²	0	74 Å²	74	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-53.5	-173.6	-179.6	0	0	0	0	111.6	W28 R30 Y54 V55 V58 F62 L75 Y88	W28-V40 HydrophobicContact CB-CB 4.29Å; W28-V40 WeakPolarHBondContact O-CB 3.3Å; W28-V40 PolarHBondContact O-N 2.99Å; R30-V40 HydrophobicContact CB-CG2 3.8Å; R30-V40 HydrophobicContact CG-CG2 3.55Å; V40-Y54 WeakPolarHBondContact O-CA 3.46Å; V40-V55 PolarHBondContact O-N 3.08Å; V40-V58 HydrophobicContact CG1-CG1 4.36Å; V40-V58 HydrophobicContact CG1-CG2 3.97Å; V40-F62 HydrophobicContact CG1-CD2 3.94Å; V40-F62 HydrophobicContact CG1-CE2 4.27Å; V40-L75 HydrophobicContact CG1-CD2 4.46Å; V40-Y88 HydrophobicContact CG2-CE1 4.24Å
41	A	98.4	Very high	96.6	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	156	-175.8	0	0	0	0	0	111.6	N27 W28 W39 Y53 Y54 I64 L75	N27-A41 CarbonylContact C-O 3.44Å; N27-A41 VanDerWaalsContact CA-O 3.24Å; N27-A41 WeakPolarHBondContact CA-O 3.4Å; W28-A41 PolarHBondContact N-O 2.87Å; W28-A41 PolarHBondContact O-N 3.08Å; W39-A41 VanDerWaalsContact CZ2-C 3.49Å; W39-A41 PolarHBondContact NE1-O 2.96Å; A41-Y53 CarbonylContact C-O 3.58Å; A41-Y53 WeakPolarHBondContact CA-O 3.24Å; A41-Y54 HydrophobicContact CB-CD1 3.65Å; A41-Y54 HydrophobicContact CB-CE1 3.94Å; A41-I64 HydrophobicContact CB-CB 4.04Å; A41-I64 HydrophobicContact CB-CD1 4.13Å; A41-I64 HydrophobicContact CB-CG2 4.13Å; A41-L75 HydrophobicContact CB-CD1 4.37Å
42	R	98.4	Very high	96.6	Very high	72 Å²	72	74 Å²	74	27%	0.272	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.9	173.6	-179.1	179.4	67.4	-170.3	-5.3	110.3	A25 M26 N27 W39 T52 Y53	A25-R42 HydrophobicContact CB-CG 4.37Å; M26-R42 CarbonylContact O-C 3.6Å; M26-R42 VanDerWaalsContact O-CA 3.32Å; M26-R42 WeakPolarHBondContact O-CA 3.45Å; N27-R42 VanDerWaalsContact OD1-CB 3.31Å; N27-R42 WeakPolarHBondContact OD1-CB 3.44Å; N27-R42 WeakPolarHBondContact OD1-CD 3.31Å; N27-R42 VanDerWaalsContact OD1-CG 3.23Å; N27-R42 WeakPolarHBondContact OD1-CG 3.23Å; W39-R42 HydrophobicContact CZ2-CB 3.6Å; R42-T52 CarbonylContact O-C 3.5Å; R42-T52 VanDerWaalsContact O-CA 3.24Å; R42-T52 WeakPolarHBondContact O-CA 3.16Å; R42-Y53 PolarHBondContact N-O 3.25Å; R42-Y53 PolarHBondContact O-N 2.91Å
43	I	98.6	Very high	96.7	Very high	8 Å²	8	77.5 Å²	77.5	4%	0.041	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.2	166.2	-173.3	159.1	0	0	0	108.3	A25 M26 T52 I64 R66 L73	A25-I43 WeakPolarHBondContact CA-O 3.33Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.47Å; M26-I43 PolarHBondContact O-N 2.88Å; I43-T52 HydrophobicContact CB-CG2 4.27Å; I43-T52 HydrophobicContact CD1-CG2 4.06Å; I43-T52 HydrophobicContact CG1-CG2 4.01Å; I43-I64 HydrophobicContact CB-CD1 3.95Å; I43-I64 HydrophobicContact CB-CG1 4.12Å; I43-I64 HydrophobicContact CB-CG2 4.03Å; I43-I64 HydrophobicContact CG2-CD1 3.67Å; I43-I64 HydrophobicContact CG2-CG1 3.94Å; I43-R66 HydrophobicContact CD1-CB 4.33Å; I43-R66 HydrophobicContact CD1-CG 3.73Å; I43-R66 HydrophobicContact CG1-CG 4.34Å; I43-R66 HydrophobicContact CG2-CB 4.45Å; I43-L73 HydrophobicContact CG2-CD1 3.63Å
44	R	98	Very high	96.9	Very high	83 Å²	83	74.1 Å²	74.1	31%	0.313	38%	0.381	S	S	.	.			trans	-71.8	167.2	176.5	-65.7	-167.8	170.1	164.7	-4.5	111.1	N48 A51 Y53 R66	R44-N48 HydrophobicContact CB-CB 3.55Å; R44-N48 HydrophobicContact CG-CB 4.22Å; R44-A51 HydrophobicContact CG-CB 4.38Å; R44-A51 PolarHBondContact N-O 2.85Å; R44-Y53 HydrophobicContact CG-CE2 4.2Å; R44-R66 PolarHBondContact O-NH1 3.06Å
45	S	96.3	Very high	97	Very high	7 Å²	7	71.9 Å²	71.9	5%	0.049	35%	0.349	C	S	.	.			trans	-65.3	169	174.9	56.9	0	0	0	0	112.5	N22 T23 F47 N48 Y50	N22-S45 VanDerWaalsContact O-CB 3.28Å; N22-S45 WeakPolarHBondContact O-CB 3.32Å; T23-S45 VanDerWaalsContact O-CB 3.32Å; T23-S45 WeakPolarHBondContact O-CB 3.14Å; T23-S45 PolarHBondContact O-OG 2.81Å; S45-F47 PolarHBondContact O-N 3.01Å; S45-N48 PolarHBondContact O-N 2.77Å; S45-N48 PolarHBondContact OG-ND2 3.2Å; S45-Y50 PolarHBondContact O-N 2.85Å
46	K	92.8	Very high	97.1	Very high	130 Å²	130	72.4 Å²	72.4	57%	0.565	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-51.7	-40.3	176.5	-175.9	173.3	-178.3	176.8	0	112.9	N48 N49 Y50	K46-N48 PolarHBondContact O-N 3.13Å; K46-N48 VanDerWaalsContact O-N 3.12Å; K46-N49 PolarHBondContact O-N 3.5Å; K46-N49 VanDerWaalsContact O-N 3.09Å; K46-Y50 HydrophobicContact CB-CE1 3.95Å; K46-Y50 HydrophobicContact CB-CE2 4.31Å; K46-Y50 WeakPolarHBondContact CB-OH 3.27Å; K46-Y50 HydrophobicContact CG-CE2 4.06Å; K46-Y50 WeakPolarHBondContact CG-OH 3.24Å
47	F	94	Very high	97.1	Very high	162 Å²	162	72.3 Å²	72.3	71%	0.711	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-61.8	-20	179.2	-60.2	-73.7	0	0	0	114.2	T23 S45	T23-F47 HydrophobicContact CG2-CE2 3.96Å; S45-F47 PolarHBondContact O-N 3.01Å
48	N	96.2	Very high	97	Very high	75 Å²	75	66.6 Å²	66.6	40%	0.401	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-109.6	29.3	179.7	-70.1	-85.3	0	0	0	111.3	R44 S45 K46 Y50 A51	R44-N48 HydrophobicContact CB-CB 3.55Å; R44-N48 HydrophobicContact CG-CB 4.22Å; S45-N48 PolarHBondContact O-N 2.77Å; S45-N48 PolarHBondContact OG-ND2 3.2Å; K46-N48 PolarHBondContact O-N 3.13Å; K46-N48 VanDerWaalsContact O-N 3.12Å; N48-Y50 PolarHBondContact O-N 2.86Å; N48-Y50 VanDerWaalsContact O-N 3.07Å; N48-A51 WeakPolarHBondContact O-CB 3.43Å; N48-A51 PolarHBondContact O-N 2.78Å; N48-A51 VanDerWaalsContact O-N 3.1Å
49	N	95.6	Very high	96.9	Very high	146 Å²	146	69.4 Å²	69.4	78%	0.781	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	33.1	177.8	-59.7	-28.3	0	0	0	113.7	K46 A51	K46-N49 PolarHBondContact O-N 3.5Å; K46-N49 VanDerWaalsContact O-N 3.09Å; N49-A51 PolarHBondContact O-N 3.37Å; N49-A51 VanDerWaalsContact O-N 3.07Å
50	Y	97.5	Very high	96.8	Very high	88 Å²	88	73.6 Å²	73.6	35%	0.345	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	28.7	-179.8	-57.5	-68.6	0	0	0	114.3	S45 K46 N48 T52 R66 D68	S45-Y50 PolarHBondContact O-N 2.85Å; K46-Y50 HydrophobicContact CB-CE1 3.95Å; K46-Y50 HydrophobicContact CB-CE2 4.31Å; K46-Y50 WeakPolarHBondContact CB-OH 3.27Å; K46-Y50 HydrophobicContact CG-CE2 4.06Å; K46-Y50 WeakPolarHBondContact CG-OH 3.24Å; N48-Y50 PolarHBondContact O-N 2.86Å; N48-Y50 VanDerWaalsContact O-N 3.07Å; Y50-T52 WeakPolarHBondContact O-CG2 3.49Å; Y50-T52 PolarHBondContact O-N 2.9Å; Y50-R66 HydrophobicContact CD1-CG 4.18Å; Y50-R66 HydrophobicContact CE1-CG 4.18Å; Y50-D68 WeakPolarHBondContact CE1-OD2 3.4Å; Y50-D68 PolarHBondContact OH-OD2 2.79Å
51	A	98.2	Very high	96.8	Very high	33 Å²	33	74.9 Å²	74.9	27%	0.273	36%	0.358	S	S	.	.			trans	-54.1	129	-177.5	0	0	0	0	0	111.5	R44 N48 N49 Y53	R44-A51 HydrophobicContact CG-CB 4.38Å; R44-A51 PolarHBondContact N-O 2.85Å; N48-A51 WeakPolarHBondContact O-CB 3.43Å; N48-A51 PolarHBondContact O-N 2.78Å; N48-A51 VanDerWaalsContact O-N 3.1Å; N49-A51 PolarHBondContact O-N 3.37Å; N49-A51 VanDerWaalsContact O-N 3.07Å; A51-Y53 HydrophobicContact CB-CE2 4.09Å
52	T	98.6	Very high	96.7	Very high	60 Å²	60	75 Å²	75	37%	0.368	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	147.7	-176.5	59.7	0	0	0	0	112	R42 I43 Y50 I64	R42-T52 CarbonylContact O-C 3.5Å; R42-T52 VanDerWaalsContact O-CA 3.24Å; R42-T52 WeakPolarHBondContact O-CA 3.16Å; I43-T52 HydrophobicContact CB-CG2 4.27Å; I43-T52 HydrophobicContact CD1-CG2 4.06Å; I43-T52 HydrophobicContact CG1-CG2 4.01Å; Y50-T52 WeakPolarHBondContact O-CG2 3.49Å; Y50-T52 PolarHBondContact O-N 2.9Å; T52-I64 HydrophobicContact CG2-CG2 3.71Å
53	Y	98.3	Very high	96.7	Very high	89 Å²	89	74.9 Å²	74.9	35%	0.349	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.2	177.9	-58.3	-93.8	0	0	0	108.6	A41 R42 R44 A51	A41-Y53 CarbonylContact C-O 3.58Å; A41-Y53 WeakPolarHBondContact CA-O 3.24Å; R42-Y53 PolarHBondContact N-O 3.25Å; R42-Y53 PolarHBondContact O-N 2.91Å; R44-Y53 HydrophobicContact CG-CE2 4.2Å; A51-Y53 HydrophobicContact CB-CE2 4.09Å
54	Y	98.4	Very high	96.7	Very high	54 Å²	54	74.7 Å²	74.7	21%	0.212	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.4	-177.4	-57.1	-90	0	0	0	109.8	W39 V40 A41 F62 I64	W39-Y54 VanDerWaalsContact CZ3-C 3.44Å; V40-Y54 WeakPolarHBondContact O-CA 3.46Å; A41-Y54 HydrophobicContact CB-CD1 3.65Å; A41-Y54 HydrophobicContact CB-CE1 3.94Å; Y54-F62 WeakPolarHBondContact CE1-O 3.5Å; Y54-I64 HydrophobicContact CE1-CB 4.26Å; Y54-I64 HydrophobicContact CE1-CG2 3.87Å; Y54-I64 PolarHBondContact OH-N 2.92Å
55	V	97.2	Very high	96.8	Very high	46 Å²	46	73 Å²	73	28%	0.279	37%	0.366	S	S	.	.			trans	-70.7	146.1	164.7	66.1	0	0	0	0	109.5	W39 V40 S57 V58 K59	W39-V55 HydrophobicContact CE3-CB 4.2Å; W39-V55 HydrophobicContact CZ3-CB 4.14Å; W39-V55 VanDerWaalsContact CZ3-N 3.31Å; V40-V55 PolarHBondContact O-N 3.08Å; V55-S57 WeakPolarHBondContact CG1-OG 3.25Å; V55-S57 PolarHBondContact O-N 2.89Å; V55-S57 VanDerWaalsContact O-N 3.12Å; V55-V58 HydrophobicContact CG1-CB 4.42Å; V55-V58 HydrophobicContact CG1-CG1 4.14Å; V55-V58 HydrophobicContact CG1-CG2 3.66Å; V55-V58 WeakPolarHBondContact O-CG2 3.21Å; V55-V58 PolarHBondContact O-N 3.43Å; V55-V58 VanDerWaalsContact O-N 3.1Å; V55-K59 PolarHBondContact O-N 3.27Å
56	D	96.7	Very high	96.8	Very high	132 Å²	132	74 Å²	74	71%	0.706	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-57.6	-32.7	-174	-67.5	-35	0	0	0	113.1	V58 K59	D56-V58 PolarHBondContact O-N 3.02Å; D56-K59 PolarHBondContact O-N 2.78Å
57	S	95.1	Very high	97	Very high	50 Å²	50	70.2 Å²	70.2	35%	0.35	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-64.9	-20.9	-179.2	61.4	0	0	0	0	114.6	V55 R61	V55-S57 WeakPolarHBondContact CG1-OG 3.25Å; V55-S57 PolarHBondContact O-N 2.89Å; V55-S57 VanDerWaalsContact O-N 3.12Å; S57-R61 PolarHBondContact O-NE 2.01Å; S57-R61 PolarHBondContact O-NH2 3.23Å
58	V	96.4	Very high	97.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-117.9	-2.8	-178.8	-51.9	0	0	0	0	113.3	V40 V55 D56 E60 R61 F62	V40-V58 HydrophobicContact CG1-CG1 4.36Å; V40-V58 HydrophobicContact CG1-CG2 3.97Å; V55-V58 HydrophobicContact CG1-CB 4.42Å; V55-V58 HydrophobicContact CG1-CG1 4.14Å; V55-V58 HydrophobicContact CG1-CG2 3.66Å; V55-V58 WeakPolarHBondContact O-CG2 3.21Å; V55-V58 PolarHBondContact O-N 3.43Å; V55-V58 VanDerWaalsContact O-N 3.1Å; D56-V58 PolarHBondContact O-N 3.02Å; V58-E60 PolarHBondContact O-N 3.07Å; V58-R61 PolarHBondContact O-N 2.94Å; V58-R61 VanDerWaalsContact O-N 3.08Å; V58-F62 HydrophobicContact CB-CB 4.07Å; V58-F62 HydrophobicContact CB-CD1 4.19Å; V58-F62 HydrophobicContact CB-CD2 3.61Å; V58-F62 HydrophobicContact CB-CE2 4.02Å; V58-F62 HydrophobicContact CB-CG 3.7Å; V58-F62 HydrophobicContact CB-CZ 4.46Å; V58-F62 HydrophobicContact CG1-CD2 3.77Å; V58-F62 HydrophobicContact CG1-CE2 3.66Å; V58-F62 HydrophobicContact CG1-CG 4.29Å; V58-F62 HydrophobicContact CG1-CZ 4.08Å; V58-F62 HydrophobicContact CG2-CB 4.13Å; V58-F62 HydrophobicContact CG2-CD2 3.97Å; V58-F62 HydrophobicContact CG2-CG 4.19Å; V58-F62 PolarHBondContact O-N 2.89Å
59	K	95.3	Very high	97.1	Very high	122 Å²	122	65.7 Å²	65.7	53%	0.53	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	140.7	178	-160.4	176.5	-177.7	179.5	0	109.7	V55 D56 R61	V55-K59 PolarHBondContact O-N 3.27Å; D56-K59 PolarHBondContact O-N 2.78Å; K59-R61 PolarHBondContact O-N 3.43Å
60	E	95.3	Very high	97.1	Very high	188 Å²	188	64.3 Å²	64.3	88%	0.879	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-16	-176.1	-50.4	179	172.2	0	0	116.2	V58	V58-E60 PolarHBondContact O-N 3.07Å
61	R	97.1	Very high	97.1	Very high	27 Å²	27	62.3 Å²	62.3	10%	0.102	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-37.9	177.6	-59.3	-169.5	-57.4	112.5	-1	112	S57 V58 K59 N78 N79 D84	S57-R61 PolarHBondContact O-NE 2.01Å; S57-R61 PolarHBondContact O-NH2 3.23Å; V58-R61 PolarHBondContact O-N 2.94Å; V58-R61 VanDerWaalsContact O-N 3.08Å; K59-R61 PolarHBondContact O-N 3.43Å; R61-N78 WeakPolarHBondContact CB-O 3.33Å; R61-N78 WeakPolarHBondContact O-CB 3.5Å; R61-N78 PolarHBondContact O-N 3.1Å; R61-N79 PolarHBondContact NH1-O 2.81Å; R61-D84 IonicContact CZ-OD1 2.73Å; R61-D84 IonicContact CZ-OD2 3.89Å; R61-D84 IonicContact NH1-OD1 3.93Å; R61-D84 IonicContact NH1-OD2 3.87Å; R61-D84 PolarHBondContact NH1-OD2 2.78Å; R61-D84 IonicContact NH2-OD1 2.75Å; R61-D84 PolarHBondContact NH2-OD1 3.01Å; R61-D84 IonicContact NH2-OD2 2.97Å; R61-D84 PolarHBondContact NH2-OD2 2.97Å
62	F	97.8	Very high	97.1	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.8	-175.3	-69.3	15.7	0	0	0	110.6	V40 Y54 V58 L75 Q76 M77 L80 D84 Y88	V40-F62 HydrophobicContact CG1-CD2 3.94Å; V40-F62 HydrophobicContact CG1-CE2 4.27Å; Y54-F62 WeakPolarHBondContact CE1-O 3.5Å; V58-F62 HydrophobicContact CB-CB 4.07Å; V58-F62 HydrophobicContact CB-CD1 4.19Å; V58-F62 HydrophobicContact CB-CD2 3.61Å; V58-F62 HydrophobicContact CB-CE2 4.02Å; V58-F62 HydrophobicContact CB-CG 3.7Å; V58-F62 HydrophobicContact CB-CZ 4.46Å; V58-F62 HydrophobicContact CG1-CD2 3.77Å; V58-F62 HydrophobicContact CG1-CE2 3.66Å; V58-F62 HydrophobicContact CG1-CG 4.29Å; V58-F62 HydrophobicContact CG1-CZ 4.08Å; V58-F62 HydrophobicContact CG2-CB 4.13Å; V58-F62 HydrophobicContact CG2-CD2 3.97Å; V58-F62 HydrophobicContact CG2-CG 4.19Å; V58-F62 PolarHBondContact O-N 2.89Å; F62-L75 HydrophobicContact CB-CD1 4.3Å; F62-L75 HydrophobicContact CD2-CD1 4.47Å; F62-L75 HydrophobicContact CD2-CD2 4.15Å; F62-L75 HydrophobicContact CD2-CG 4.46Å; F62-Q76 CarbonylContact C-O 3.45Å; F62-Q76 VanDerWaalsContact CA-O 3.25Å; F62-Q76 WeakPolarHBondContact CA-O 3.49Å; F62-M77 HydrophobicContact CD1-CB 3.82Å; F62-M77 HydrophobicContact CD1-CG 4.04Å; F62-M77 HydrophobicContact CD2-CG 3.84Å; F62-M77 HydrophobicContact CD2-SD 4.47Å; F62-M77 HydrophobicContact CE1-CB 3.64Å; F62-M77 HydrophobicContact CE1-CG 3.98Å; F62-M77 HydrophobicContact CE2-CB 4.33Å; F62-M77 HydrophobicContact CE2-CG 3.75Å; F62-M77 HydrophobicContact CE2-SD 3.9Å; F62-M77 HydrophobicContact CG-CB 4.28Å; F62-M77 HydrophobicContact CG-CG 4Å; F62-M77 HydrophobicContact CZ-CB 3.91Å; F62-M77 HydrophobicContact CZ-CG 3.83Å; F62-M77 HydrophobicContact CZ-SD 4.05Å; F62-L80 HydrophobicContact CE1-CD2 4.08Å; F62-L80 HydrophobicContact CZ-CD2 4Å; F62-D84 HydrophobicContact CZ-CB 4.05Å; F62-Y88 HydrophobicContact CE2-CE1 4.31Å
63	T	98.4	Very high	97.1	Very high	68 Å²	68	59.5 Å²	59.5	42%	0.417	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.2	176.8	-49.1	0	0	0	0	109	Q76	T63-Q76 PolarHBondContact N-O 2.83Å; T63-Q76 PolarHBondContact O-N 3.25Å
64	I	98.6	Very high	97.1	Very high	5 Å²	5	57 Å²	57	3%	0.026	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.5	171.1	-169.8	173.6	0	0	0	109.1	A41 I43 T52 Y54 L73 L75	A41-I64 HydrophobicContact CB-CB 4.04Å; A41-I64 HydrophobicContact CB-CD1 4.13Å; A41-I64 HydrophobicContact CB-CG2 4.13Å; I43-I64 HydrophobicContact CB-CD1 3.95Å; I43-I64 HydrophobicContact CB-CG1 4.12Å; I43-I64 HydrophobicContact CB-CG2 4.03Å; I43-I64 HydrophobicContact CG2-CD1 3.67Å; I43-I64 HydrophobicContact CG2-CG1 3.94Å; T52-I64 HydrophobicContact CG2-CG2 3.71Å; Y54-I64 HydrophobicContact CE1-CB 4.26Å; Y54-I64 HydrophobicContact CE1-CG2 3.87Å; Y54-I64 PolarHBondContact OH-N 2.92Å; I64-L73 HydrophobicContact CD1-CD1 4.13Å; I64-L73 HydrophobicContact CG1-CD1 4.12Å; I64-L75 HydrophobicContact CB-CD1 4.16Å
65	S	98.4	Very high	97.1	Very high	47 Å²	47	54.4 Å²	54.4	33%	0.329	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.9	173.9	62.8	0	0	0	0	110.7	Y74	S65-Y74 PolarHBondContact N-O 3.05Å; S65-Y74 PolarHBondContact O-N 2.73Å
66	R	97.9	Very high	97.1	Very high	29 Å²	29	54.9 Å²	54.9	11%	0.109	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.6	-178.7	65.2	-170.9	-74.8	162.7	5.4	111	F21 Y24 I43 R44 Y50 D68 M72 L73	F21-R66 VanDerWaalsContact C-NH2 3.26Å; F21-R66 HydrophobicContact CE1-CB 4.16Å; F21-R66 VanDerWaalsContact CE1-NH2 3.31Å; F21-R66 HydrophobicContact CZ-CB 4.15Å; F21-R66 PolarHBondContact O-NH2 3.12Å; Y24-R66 PolarHBondContact O-NH1 2.82Å; I43-R66 HydrophobicContact CD1-CB 4.33Å; I43-R66 HydrophobicContact CD1-CG 3.73Å; I43-R66 HydrophobicContact CG1-CG 4.34Å; I43-R66 HydrophobicContact CG2-CB 4.45Å; R44-R66 PolarHBondContact O-NH1 3.06Å; Y50-R66 HydrophobicContact CD1-CG 4.18Å; Y50-R66 HydrophobicContact CE1-CG 4.18Å; R66-D68 IonicContact CZ-OD1 3.65Å; R66-D68 IonicContact NE-OD1 3.09Å; R66-D68 PolarHBondContact NE-OD1 3.07Å; R66-D68 IonicContact NE-OD2 3.93Å; R66-D68 IonicContact NH2-OD1 3.26Å; R66-D68 PolarHBondContact NH2-OD1 3.05Å; R66-M72 CarbonylContact C-O 3.47Å; R66-M72 VanDerWaalsContact CA-O 3.32Å; R66-M72 WeakPolarHBondContact CA-O 3.17Å; R66-L73 HydrophobicContact CB-CD1 4.15Å
67	D	96.8	Very high	97.1	Very high	49 Å²	49	48.8 Å²	48.8	26%	0.262	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	109.5	168.1	-169.6	-37.6	0	0	0	108.4	S69 E70 T71 M72 Y74	D67-S69 VanDerWaalsContact C-N 3.3Å; D67-S69 WeakPolarHBondContact OD1-CA 3.49Å; D67-S69 WeakPolarHBondContact OD1-CB 3.42Å; D67-S69 PolarHBondContact OD1-N 2.82Å; D67-S69 PolarHBondContact OD1-OG 2.89Å; D67-E70 HydrophobicContact CB-CB 4.17Å; D67-E70 HydrophobicContact CB-CG 4.5Å; D67-E70 PolarHBondContact OD1-N 3.05Å; D67-T71 WeakPolarHBondContact O-CA 3.01Å; D67-T71 PolarHBondContact O-N 2.86Å; D67-M72 HydrophobicContact CB-CB 4.43Å; D67-M72 PolarHBondContact N-O 3.44Å; D67-M72 PolarHBondContact O-N 3Å; D67-Y74 HydrophobicContact CB-CE2 4.01Å
68	D	95.9	Very high	97.2	Very high	38 Å²	38	48.7 Å²	48.7	20%	0.203	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.5	-179	-71.1	-27.8	0	0	0	112.9	F21 N22 Y50 R66	F21-D68 VanDerWaalsContact CD1-OD1 3.32Å; F21-D68 WeakPolarHBondContact CD1-OD1 3.34Å; F21-D68 WeakPolarHBondContact CE1-OD1 2.99Å; N22-D68 HydrophobicContact CB-CB 4.24Å; Y50-D68 WeakPolarHBondContact CE1-OD2 3.4Å; Y50-D68 PolarHBondContact OH-OD2 2.79Å; R66-D68 IonicContact CZ-OD1 3.65Å; R66-D68 IonicContact NE-OD1 3.09Å; R66-D68 PolarHBondContact NE-OD1 3.07Å; R66-D68 IonicContact NE-OD2 3.93Å; R66-D68 IonicContact NH2-OD1 3.26Å; R66-D68 PolarHBondContact NH2-OD1 3.05Å
69	S	95.1	Very high	97.1	Very high	105 Å²	105	53.7 Å²	53.7	73%	0.734	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-36.6	177.2	70	0	0	0	0	111.6	D67	D67-S69 VanDerWaalsContact C-N 3.3Å; D67-S69 WeakPolarHBondContact OD1-CA 3.49Å; D67-S69 WeakPolarHBondContact OD1-CB 3.42Å; D67-S69 PolarHBondContact OD1-N 2.82Å; D67-S69 PolarHBondContact OD1-OG 2.89Å
70	E	96.3	Very high	97.1	Very high	116 Å²	116	48.9 Å²	48.9	54%	0.542	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.2	176.8	-61	-172.8	161.2	0	0	113.2	D67 M72 Y74	D67-E70 HydrophobicContact CB-CB 4.17Å; D67-E70 HydrophobicContact CB-CG 4.5Å; D67-E70 PolarHBondContact OD1-N 3.05Å; E70-M72 VanDerWaalsContact C-N 3.28Å; E70-M72 HydrophobicContact CB-CB 4.21Å; E70-M72 HydrophobicContact CB-CG 3.68Å; E70-M72 WeakPolarHBondContact O-CG 3.27Å; E70-M72 PolarHBondContact O-N 3.49Å; E70-Y74 PolarHBondContact OE2-OH 3.04Å; E70-Y74 VanDerWaalsContact OE2-OH 3.1Å
71	T	96.8	Very high	97.1	Very high	46 Å²	46	44.5 Å²	44.5	28%	0.282	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	40.9	-175.2	-45.6	0	0	0	0	111.8	A16 F21 D67	A16-T71 HydrophobicContact CB-CG2 4.01Å; A16-T71 PolarHBondContact N-O 2.88Å; A16-T71 WeakPolarHBondContact O-CG2 3.44Å; F21-T71 HydrophobicContact CB-CG2 3.59Å; F21-T71 HydrophobicContact CD1-CG2 4.31Å; F21-T71 HydrophobicContact CD2-CG2 4.19Å; F21-T71 HydrophobicContact CG-CG2 3.81Å; D67-T71 WeakPolarHBondContact O-CA 3.01Å; D67-T71 PolarHBondContact O-N 2.86Å
72	M	98.1	Very high	96.8	Very high	35 Å²	35	48.6 Å²	48.6	17%	0.172	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.2	-172.9	-68.3	-65.3	-75	0	0	111.9	C14 A15 R66 D67 E70 Y74	C14-M72 WeakPolarHBondContact O-CA 3.4Å; A15-M72 WeakPolarHBondContact CA-SD 3.01Å; A15-M72 HydrophobicContact CB-SD 3.53Å; A15-M72 VanDerWaalsContact CB-SD 3.53Å; R66-M72 CarbonylContact C-O 3.47Å; R66-M72 VanDerWaalsContact CA-O 3.32Å; R66-M72 WeakPolarHBondContact CA-O 3.17Å; D67-M72 HydrophobicContact CB-CB 4.43Å; D67-M72 PolarHBondContact N-O 3.44Å; D67-M72 PolarHBondContact O-N 3Å; E70-M72 VanDerWaalsContact C-N 3.28Å; E70-M72 HydrophobicContact CB-CB 4.21Å; E70-M72 HydrophobicContact CB-CG 3.68Å; E70-M72 WeakPolarHBondContact O-CG 3.27Å; E70-M72 PolarHBondContact O-N 3.49Å; M72-Y74 HydrophobicContact CB-CE1 4.28Å; M72-Y74 HydrophobicContact CB-CE2 3.64Å; M72-Y74 VanDerWaalsContact CB-CZ 3.5Å; M72-Y74 WeakPolarHBondContact CB-OH 3.47Å; M72-Y74 HydrophobicContact CE-CE1 4.16Å
73	L	98.5	Very high	96.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.2	169.7	-172.8	71.2	0	0	0	109.8	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.53Å; S13-L73 VanDerWaalsContact CA-O 3.26Å; S13-L73 WeakPolarHBondContact CA-O 3.32Å; C14-L73 HydrophobicContact CB-CB 4.35Å; C14-L73 PolarHBondContact N-O 3.16Å; C14-L73 PolarHBondContact O-N 3.26Å; F21-L73 HydrophobicContact CZ-CB 4.3Å; M26-L73 HydrophobicContact CB-CD1 3.63Å; M26-L73 HydrophobicContact CB-CD2 3.87Å; M26-L73 HydrophobicContact CB-CG 4.33Å; M26-L73 HydrophobicContact CE-CD2 4.43Å; M26-L73 HydrophobicContact CG-CD1 4.3Å; W28-L73 HydrophobicContact CD2-CD2 4.35Å; W28-L73 HydrophobicContact CG-CD2 4.44Å; W28-L73 HydrophobicContact CZ2-CD2 4.19Å; W28-L73 HydrophobicContact CZ2-CG 4.32Å; I43-L73 HydrophobicContact CG2-CD1 3.63Å; I64-L73 HydrophobicContact CD1-CD1 4.13Å; I64-L73 HydrophobicContact CG1-CD1 4.12Å; R66-L73 HydrophobicContact CB-CD1 4.15Å; L73-C90 HydrophobicContact CD2-CB 3.83Å
74	Y	98.4	Very high	96.4	Very high	36 Å²	36	50.7 Å²	50.7	14%	0.141	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.4	-179	-57.3	-75.6	0	0	0	111.3	K11 I12 W28 S65 D67 E70 M72	K11-Y74 VanDerWaalsContact CE-CD1 3.44Å; I12-Y74 WeakPolarHBondContact O-CA 3.33Å; W28-Y74 PolarHBondContact NE1-O 3.15Å; S65-Y74 PolarHBondContact N-O 3.05Å; S65-Y74 PolarHBondContact O-N 2.73Å; D67-Y74 HydrophobicContact CB-CE2 4.01Å; E70-Y74 PolarHBondContact OE2-OH 3.04Å; E70-Y74 VanDerWaalsContact OE2-OH 3.1Å; M72-Y74 HydrophobicContact CB-CE1 4.28Å; M72-Y74 HydrophobicContact CB-CE2 3.64Å; M72-Y74 VanDerWaalsContact CB-CZ 3.5Å; M72-Y74 WeakPolarHBondContact CB-OH 3.47Å; M72-Y74 HydrophobicContact CE-CE1 4.16Å
75	L	98.5	Very high	96.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	109.5	165.8	-171	67.1	0	0	0	108.3	K11 I12 W28 V40 A41 F62 I64 M77 Y88	K11-L75 WeakPolarHBondContact CA-O 3.37Å; I12-L75 HydrophobicContact CD1-CB 4.23Å; I12-L75 HydrophobicContact CD1-CD2 4.19Å; I12-L75 HydrophobicContact CG1-CB 3.75Å; I12-L75 PolarHBondContact N-O 2.71Å; I12-L75 PolarHBondContact O-N 3.33Å; W28-L75 HydrophobicContact CB-CD2 4.22Å; W28-L75 HydrophobicContact CD2-CB 4.17Å; W28-L75 HydrophobicContact CD2-CD2 4.27Å; W28-L75 HydrophobicContact CG-CB 4.21Å; W28-L75 HydrophobicContact CG-CD1 4.46Å; W28-L75 HydrophobicContact CG-CD2 3.99Å; W28-L75 HydrophobicContact CG-CG 4.47Å; W28-L75 HydrophobicContact CZ2-CB 4.27Å; V40-L75 HydrophobicContact CG1-CD2 4.46Å; A41-L75 HydrophobicContact CB-CD1 4.37Å; F62-L75 HydrophobicContact CB-CD1 4.3Å; F62-L75 HydrophobicContact CD2-CD1 4.47Å; F62-L75 HydrophobicContact CD2-CD2 4.15Å; F62-L75 HydrophobicContact CD2-CG 4.46Å; I64-L75 HydrophobicContact CB-CD1 4.16Å; L75-M77 HydrophobicContact CD2-CG 3.89Å; L75-M77 HydrophobicContact CD2-SD 3.88Å; L75-M77 HydrophobicContact CG-CG 3.81Å; L75-M77 HydrophobicContact CG-SD 4.4Å; L75-Y88 HydrophobicContact CD2-CD1 4.01Å; L75-Y88 HydrophobicContact CD2-CE1 4.12Å
76	Q	98.1	Very high	96	Very high	56 Å²	56	53.7 Å²	53.7	26%	0.262	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.4	167.8	-179.5	63.8	38.6	0	0	107.8	F62 T63 N78	F62-Q76 CarbonylContact C-O 3.45Å; F62-Q76 VanDerWaalsContact CA-O 3.25Å; F62-Q76 WeakPolarHBondContact CA-O 3.49Å; T63-Q76 PolarHBondContact N-O 2.83Å; T63-Q76 PolarHBondContact O-N 3.25Å; Q76-N78 PolarHBondContact NE2-OD1 3.47Å
77	M	97.1	Very high	96	Very high	4 Å²	4	58 Å²	58	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108	-179.9	-58.4	177.6	-69.9	0	0	108.1	S9 L10 I12 F62 L75 L80 Y88	S9-M77 CarbonylContact C-O 3.53Å; S9-M77 WeakPolarHBondContact CA-O 3.28Å; L10-M77 HydrophobicContact CB-CE 3.91Å; L10-M77 HydrophobicContact CD2-CE 3.66Å; L10-M77 HydrophobicContact CG-CE 3.8Å; L10-M77 PolarHBondContact N-O 2.78Å; L10-M77 WeakPolarHBondContact O-CB 3.49Å; L10-M77 PolarHBondContact O-N 2.99Å; I12-M77 HydrophobicContact CB-CE 4.47Å; I12-M77 HydrophobicContact CD1-CE 4.04Å; I12-M77 HydrophobicContact CD1-SD 4.41Å; I12-M77 HydrophobicContact CG1-CE 4.01Å; I12-M77 HydrophobicContact CG2-CE 3.77Å; F62-M77 HydrophobicContact CD1-CB 3.82Å; F62-M77 HydrophobicContact CD1-CG 4.04Å; F62-M77 HydrophobicContact CD2-CG 3.84Å; F62-M77 HydrophobicContact CD2-SD 4.47Å; F62-M77 HydrophobicContact CE1-CB 3.64Å; F62-M77 HydrophobicContact CE1-CG 3.98Å; F62-M77 HydrophobicContact CE2-CB 4.33Å; F62-M77 HydrophobicContact CE2-CG 3.75Å; F62-M77 HydrophobicContact CE2-SD 3.9Å; F62-M77 HydrophobicContact CG-CB 4.28Å; F62-M77 HydrophobicContact CG-CG 4Å; F62-M77 HydrophobicContact CZ-CB 3.91Å; F62-M77 HydrophobicContact CZ-CG 3.83Å; F62-M77 HydrophobicContact CZ-SD 4.05Å; L75-M77 HydrophobicContact CD2-CG 3.89Å; L75-M77 HydrophobicContact CD2-SD 3.88Å; L75-M77 HydrophobicContact CG-CG 3.81Å; L75-M77 HydrophobicContact CG-SD 4.4Å; M77-L80 HydrophobicContact CB-CD2 3.79Å; M77-L80 HydrophobicContact CB-CG 4.26Å; M77-L80 HydrophobicContact SD-CD2 4.4Å; M77-Y88 HydrophobicContact SD-CD1 4.49Å; M77-Y88 HydrophobicContact SD-CE1 4.02Å; M77-Y88 HydrophobicContact SD-CE2 4.38Å
78	N	96.1	Very high	96	Very high	48 Å²	48	57.7 Å²	57.7	26%	0.257	31%	0.311	S	S	.	.			trans	-103.2	159.3	177.2	-56.3	-48.8	0	0	0	110.6	S9 R61 Q76 L80	S9-N78 WeakPolarHBondContact CB-OD1 3.38Å; S9-N78 WeakPolarHBondContact OG-CA 3.26Å; S9-N78 PolarHBondContact OG-OD1 2.73Å; S9-N78 VanDerWaalsContact OG-OD1 3.05Å; R61-N78 WeakPolarHBondContact CB-O 3.33Å; R61-N78 WeakPolarHBondContact O-CB 3.5Å; R61-N78 PolarHBondContact O-N 3.1Å; Q76-N78 PolarHBondContact NE2-OD1 3.47Å; N78-L80 VanDerWaalsContact C-N 3.26Å; N78-L80 PolarHBondContact O-N 2.95Å
79	N	94.8	Very high	96.1	Very high	105 Å²	105	60.2 Å²	60.2	56%	0.561	32%	0.318	S	S	*	.	S	Bend	trans	49.1	50.5	177.1	-61.8	-23.7	0	0	0	111.4	G8 R61	G8-N79 PolarHBondContact O-N 2.75Å; R61-N79 PolarHBondContact NH1-O 2.81Å
80	L	94.9	Very high	96.1	Very high	20 Å²	20	57.3 Å²	57.3	11%	0.105	30%	0.297	C	S	.	.			trans	-59.1	138.1	-177.5	-79.8	168.8	0	0	0	110.9	V4 K7 G8 L10 F62 M77 N78 D84	V4-L80 HydrophobicContact CB-CD1 4.25Å; V4-L80 HydrophobicContact CG1-CD1 4.25Å; K7-L80 PolarHBondContact N-O 3.09Å; G8-L80 WeakPolarHBondContact O-CB 3.11Å; G8-L80 PolarHBondContact O-N 2.81Å; G8-L80 VanDerWaalsContact O-N 3.08Å; L10-L80 HydrophobicContact CB-CD1 3.93Å; F62-L80 HydrophobicContact CE1-CD2 4.08Å; F62-L80 HydrophobicContact CZ-CD2 4Å; M77-L80 HydrophobicContact CB-CD2 3.79Å; M77-L80 HydrophobicContact CB-CG 4.26Å; M77-L80 HydrophobicContact SD-CD2 4.4Å; N78-L80 VanDerWaalsContact C-N 3.26Å; N78-L80 PolarHBondContact O-N 2.95Å; L80-D84 HydrophobicContact CD2-CB 3.87Å
81	K	94.6	Very high	96.1	Very high	96 Å²	96	54.8 Å²	54.8	42%	0.417	29%	0.29	S	S	.	.			trans	-112.4	163.7	174.8	-61.1	172.9	-177.5	-178.7	0	109.8	E83 D84	K81-E83 HydrophobicContact CB-CG 3.73Å; K81-E83 HydrophobicContact CD-CG 4Å; K81-E83 WeakPolarHBondContact CD-OE1 3.45Å; K81-E83 IonicContact NZ-OE1 3.1Å; K81-E83 PolarHBondContact NZ-OE1 2.97Å; K81-E83 PolarHBondContact O-N 3.12Å; K81-D84 PolarHBondContact N-OD2 2.99Å; K81-D84 WeakPolarHBondContact O-CB 3.36Å; K81-D84 PolarHBondContact O-N 3.21Å
82	T	91.8	Very high	95.9	Very high	114 Å²	114	59.3 Å²	59.3	70%	0.699	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-57.6	-35.2	175.5	-48.7	0	0	0	0	112.1	D84 S85	T82-D84 PolarHBondContact O-N 3.4Å; T82-S85 VanDerWaalsContact O-CB 3.3Å; T82-S85 WeakPolarHBondContact O-CB 3.32Å; T82-S85 PolarHBondContact O-N 2.83Å; T82-S85 VanDerWaalsContact O-N 3.15Å
83	E	92.1	Very high	95.8	Very high	111 Å²	111	60.5 Å²	60.5	52%	0.519	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-64.8	-16.2	176.3	64.1	-170.6	-166.1	0	0	114.4	K81 S85	K81-E83 HydrophobicContact CB-CG 3.73Å; K81-E83 HydrophobicContact CD-CG 4Å; K81-E83 WeakPolarHBondContact CD-OE1 3.45Å; K81-E83 IonicContact NZ-OE1 3.1Å; K81-E83 PolarHBondContact NZ-OE1 2.97Å; K81-E83 PolarHBondContact O-N 3.12Å; E83-S85 VanDerWaalsContact C-N 3.31Å
84	D	94.6	Very high	95.7	Very high	5 Å²	5	63.7 Å²	63.7	3%	0.027	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-86.3	-4.3	177.3	-59	-47.4	0	0	0	112.7	R30 R61 F62 L80 K81 T82 A86 Y88	R30-D84 IonicContact NH1-OD1 3.15Å; R30-D84 PolarHBondContact NH1-OD1 3.14Å; R30-D84 VanDerWaalsContact NH1-OD1 3.1Å; R61-D84 IonicContact CZ-OD1 2.73Å; R61-D84 IonicContact CZ-OD2 3.89Å; R61-D84 IonicContact NH1-OD1 3.93Å; R61-D84 IonicContact NH1-OD2 3.87Å; R61-D84 PolarHBondContact NH1-OD2 2.78Å; R61-D84 IonicContact NH2-OD1 2.75Å; R61-D84 PolarHBondContact NH2-OD1 3.01Å; R61-D84 IonicContact NH2-OD2 2.97Å; R61-D84 PolarHBondContact NH2-OD2 2.97Å; F62-D84 HydrophobicContact CZ-CB 4.05Å; L80-D84 HydrophobicContact CD2-CB 3.87Å; K81-D84 PolarHBondContact N-OD2 2.99Å; K81-D84 WeakPolarHBondContact O-CB 3.36Å; K81-D84 PolarHBondContact O-N 3.21Å; T82-D84 PolarHBondContact O-N 3.4Å; D84-A86 PolarHBondContact O-N 2.93Å; D84-A86 VanDerWaalsContact O-N 3.15Å; D84-Y88 WeakPolarHBondContact O-CE2 3.33Å; D84-Y88 PolarHBondContact O-OH 3.48Å
85	S	94.5	Very high	95.5	Very high	91 Å²	91	65.2 Å²	65.2	64%	0.636	33%	0.334	S	S	*	.			trans	-72.4	105.8	179.5	-150.1	0	0	0	0	110.5	T82 E83	T82-S85 VanDerWaalsContact O-CB 3.3Å; T82-S85 WeakPolarHBondContact O-CB 3.32Å; T82-S85 PolarHBondContact O-N 2.83Å; T82-S85 VanDerWaalsContact O-N 3.15Å; E83-S85 VanDerWaalsContact C-N 3.31Å
86	A	95.7	Very high	95.3	Very high	24 Å²	24	69.1 Å²	69.1	20%	0.198	35%	0.354	C	S	.	.	S	Bend	trans	-160.2	166.5	-173.9	0	0	0	0	0	110.3	R30 Q31 A32 D84 Y88	R30-A86 HydrophobicContact CB-CB 3.92Å; R30-A86 HydrophobicContact CG-CB 4.24Å; Q31-A86 WeakPolarHBondContact O-CB 3.41Å; A32-A86 HydrophobicContact CB-CB 4.3Å; D84-A86 PolarHBondContact O-N 2.93Å; D84-A86 VanDerWaalsContact O-N 3.15Å; A86-Y88 HydrophobicContact CB-CD2 4.48Å; A86-Y88 HydrophobicContact CB-CE2 3.99Å; A86-Y88 VanDerWaalsContact O-CD2 3.27Å; A86-Y88 WeakPolarHBondContact O-CD2 3.48Å; A86-Y88 WeakPolarHBondContact O-CE2 3.32Å
87	M	96.8	Very high	95.2	Very high	118 Å²	118	69.9 Å²	69.9	58%	0.581	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.8	162.6	-67.3	-57.8	-64.7	0	0	109.2	R30 Q31 Y89	R30-M87 CarbonylContact C-O 3.54Å; R30-M87 WeakPolarHBondContact CA-O 3.39Å; Q31-M87 PolarHBondContact N-O 3.1Å; Q31-M87 PolarHBondContact O-N 2.93Å; M87-Y89 HydrophobicContact CB-CE2 3.7Å; M87-Y89 WeakPolarHBondContact CB-OH 3.36Å
88	Y	97.4	Very high	95	Very high	43 Å²	43	74.3 Å²	74.3	17%	0.169	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.5	179.9	-74	-102.1	0	0	0	110.4	I12 V29 R30 V40 F62 L75 M77 D84 A86	I12-Y88 HydrophobicContact CD1-CD1 4.12Å; I12-Y88 HydrophobicContact CD1-CG 3.84Å; V29-Y88 CarbonylContact O-C 3.51Å; V29-Y88 WeakPolarHBondContact O-CA 3.46Å; R30-Y88 HydrophobicContact CB-CD1 3.89Å; R30-Y88 HydrophobicContact CB-CD2 4.49Å; R30-Y88 HydrophobicContact CB-CE1 3.8Å; R30-Y88 HydrophobicContact CB-CE2 4.4Å; R30-Y88 HydrophobicContact CB-CG 4.23Å; V40-Y88 HydrophobicContact CG2-CE1 4.24Å; F62-Y88 HydrophobicContact CE2-CE1 4.31Å; L75-Y88 HydrophobicContact CD2-CD1 4.01Å; L75-Y88 HydrophobicContact CD2-CE1 4.12Å; M77-Y88 HydrophobicContact SD-CD1 4.49Å; M77-Y88 HydrophobicContact SD-CE1 4.02Å; M77-Y88 HydrophobicContact SD-CE2 4.38Å; D84-Y88 WeakPolarHBondContact O-CE2 3.33Å; D84-Y88 PolarHBondContact O-OH 3.48Å; A86-Y88 HydrophobicContact CB-CD2 4.48Å; A86-Y88 HydrophobicContact CB-CE2 3.99Å; A86-Y88 VanDerWaalsContact O-CD2 3.27Å; A86-Y88 WeakPolarHBondContact O-CD2 3.48Å; A86-Y88 WeakPolarHBondContact O-CE2 3.32Å
89	Y	97.4	Very high	95	Very high	92 Å²	92	76.1 Å²	76.1	36%	0.361	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.2	-177.4	-54.5	-84.8	0	0	0	109.4	W28 V29 Q31 L37 M87	W28-Y89 WeakPolarHBondContact CA-O 3.36Å; W28-Y89 VanDerWaalsContact CE3-C 3.49Å; V29-Y89 PolarHBondContact N-O 3.15Å; V29-Y89 PolarHBondContact O-N 3.45Å; Q31-Y89 HydrophobicContact CB-CE2 3.96Å; L37-Y89 HydrophobicContact CD2-CD2 4.21Å; L37-Y89 HydrophobicContact CD2-CE2 4.32Å; M87-Y89 HydrophobicContact CB-CE2 3.7Å; M87-Y89 WeakPolarHBondContact CB-OH 3.36Å
90	C	96.4	Very high	95	Very high	43 Å²	43	73.9 Å²	73.9	29%	0.291	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.9	165.5	52.3	0	0	0	0	109.1	C14 N27 W28 L73	C14-C90 HydrophobicContact CB-CB 3.44Å; C14-C90 VanDerWaalsContact CB-CB 3.44Å; C14-C90 WeakPolarHBondContact CB-SG 3.41Å; C14-C90 WeakPolarHBondContact SG-CB 3.39Å; C14-C90 CovalentContact SG-SG 2.01Å; C14-C90 PolarHBondContact SG-SG 3.1Å; N27-C90 CarbonylContact O-C 3.56Å; N27-C90 WeakPolarHBondContact O-CA 3.41Å; W28-C90 HydrophobicContact CE3-CB 4.34Å; W28-C90 HydrophobicContact CH2-CB 4.2Å; W28-C90 HydrophobicContact CZ2-CB 4.41Å; W28-C90 HydrophobicContact CZ3-CB 4.16Å; L73-C90 HydrophobicContact CD2-CB 3.83Å
91	V	96.1	Very high	95	Very high	63 Å²	63	78.4 Å²	78.4	38%	0.382	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.1	176	-58.9	0	0	0	0	110.3	N27 V29	N27-V91 HydrophobicContact CB-CG2 3.68Å; N27-V91 PolarHBondContact N-O 3.01Å; N27-V91 PolarHBondContact O-N 2.81Å; V29-V91 HydrophobicContact CG2-CB 4.17Å; V29-V91 HydrophobicContact CG2-CG1 3.66Å; V29-V91 HydrophobicContact CG2-CG2 3.39Å
92	R	92.6	Very high	95	Very high	141 Å²	141	76.8 Å²	76.8	53%	0.532	40%	0.4	S	S	.	.			trans	-86	0	174.5	-173.8	-178.6	76	166.3	-11.3	109.8	F19 Y24 M26 N27	F19-R92 HydrophobicContact CD2-CG 4.42Å; F19-R92 HydrophobicContact CE2-CB 4.43Å; F19-R92 HydrophobicContact CE2-CG 3.94Å; F19-R92 VanDerWaalsContact CG-NH1 3.33Å; F19-R92 HydrophobicContact CZ-CB 4.18Å; F19-R92 HydrophobicContact CZ-CG 4.19Å; Y24-R92 VanDerWaalsContact CD1-CD 3.45Å; Y24-R92 HydrophobicContact CD1-CG 3.68Å; Y24-R92 VanDerWaalsContact CE2-NH1 3.31Å; Y24-R92 HydrophobicContact CG-CG 3.71Å; Y24-R92 PolarHBondContact OH-NH1 2.61Å; M26-R92 HydrophobicContact CE-CB 4.29Å; M26-R92 HydrophobicContact SD-CB 4.08Å; M26-R92 HydrophobicContact SD-CG 4.08Å; N27-R92 PolarHBondContact ND2-OXT 2.73Å; N27-R92 VanDerWaalsContact ND2-OXT 3.13Å

Retrieved 92 of 92 residues in 101 ms (Link to these results)

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