X5J4K6_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4K6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 73 aa.

						>X5J4K6_MOUSE|X5J4K6
AELARPGASVKMSCKASGYTFTSYTMHWVKQRPGQGLEWIGYINPGSGYPKYNQKFKDKATLTADKSSSTAYI
					

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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	A	65.8	Low	87.7	Confident	158 Å²	158	120.9 Å²	120.9	100%	1.306	74%	0.738	S	S	*	*				0	132.7	0	0	0	0	0	0	107.6
2	E	76.4	Confident	88.3	Confident	136 Å²	136	119.8 Å²	119.8	64%	0.636	72%	0.72	S	S	*	*			trans	-91.5	127.9	179.3	-165.8	171.7	166.4	0	0	109.2	V10	E2-V10 HydrophobicContact CB-CG1 4.13Å; E2-V10 HydrophobicContact CG-CG1 4.31Å
3	L	85.8	Confident	88.9	Confident	175 Å²	175	117 Å²	117	92%	0.916	71%	0.71	S	S	*	*			trans	-102.9	115.5	176	-172.9	72.5	0	0	0	108.1
4	A	89.6	Confident	89.5	Confident	44 Å²	44	112.1 Å²	112.1	36%	0.364	68%	0.683	S	S	.	*			trans	-116	153	-178.8	0	0	0	0	0	111.3	A8 V10	A4-A8 HydrophobicContact CB-CB 4.23Å; A4-V10 HydrophobicContact CB-CG2 3.31Å
5	R	92.9	Very high	90	Very high	215 Å²	215	115.2 Å²	115.2	81%	0.811	68%	0.683	S	S	*	*			trans	-69.9	152.4	172.7	-63.1	-176.4	-177.9	-155.6	0.6	109.9	G7 A8	R5-G7 PolarHBondContact O-N 3.25Å; R5-A8 WeakPolarHBondContact O-CB 3.4Å; R5-A8 PolarHBondContact O-N 2.95Å; R5-A8 VanDerWaalsContact O-N 3.09Å
6	P	91.6	Very high	90.4	Very high	140 Å²	140	108.8 Å²	108.8	91%	0.909	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	131.8	172.5	-25.4	34.4	0	0	0	111.4	A8	P6-A8 VanDerWaalsContact C-N 3.33Å; P6-A8 PolarHBondContact O-N 3.27Å
7	G	90.2	Very high	90.7	Very high	87 Å²	87	108.5 Å²	108.5	90%	0.897	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.5	-12.5	-179.8	0	0	0	0	0	115.5	R5	R5-G7 PolarHBondContact O-N 3.25Å
8	A	93	Very high	90.9	Very high	60 Å²	60	107.4 Å²	107.4	50%	0.496	67%	0.667	S	S	.	*			trans	-75.7	141.3	171.4	0	0	0	0	0	111.1	A4 R5 P6	A4-A8 HydrophobicContact CB-CB 4.23Å; R5-A8 WeakPolarHBondContact O-CB 3.4Å; R5-A8 PolarHBondContact O-N 2.95Å; R5-A8 VanDerWaalsContact O-N 3.09Å; P6-A8 VanDerWaalsContact C-N 3.33Å; P6-A8 PolarHBondContact O-N 3.27Å
9	S	91.6	Very high	91	Very high	123 Å²	123	107.3 Å²	107.3	86%	0.86	65%	0.653	S	S	*	*			trans	-77.7	140.3	170.2	-60	0	0	0	0	110.2
10	V	93.1	Very high	91.3	Very high	52 Å²	52	106.4 Å²	106.4	32%	0.315	65%	0.648	S	S	.	*			trans	-120.7	137.7	175.2	176.2	0	0	0	0	107.4	E2 A4 M12	E2-V10 HydrophobicContact CB-CG1 4.13Å; E2-V10 HydrophobicContact CG-CG1 4.31Å; A4-V10 HydrophobicContact CB-CG2 3.31Å; V10-M12 HydrophobicContact CG1-CG 4.19Å
11	K	94.4	Very high	91.6	Very high	140 Å²	140	101.7 Å²	101.7	61%	0.609	62%	0.619	S	S	*	*			trans	-105.3	114.5	175.1	-177.7	177.2	178.6	179.8	0	109.4	Y72 I73	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; K11-I73 CarbonylContact C-O 3.56Å; K11-I73 WeakPolarHBondContact CA-O 3.35Å
12	M	95.1	Very high	93.1	Very high	107 Å²	107	96.8 Å²	96.8	53%	0.527	57%	0.573	S	S	.	*			trans	-99.5	152.9	175	-56.9	175.6	63.3	0	0	110	V10 W28 Y72 I73	V10-M12 HydrophobicContact CG1-CG 4.19Å; M12-W28 HydrophobicContact CB-CH2 4.25Å; M12-W28 HydrophobicContact CB-CZ3 4.19Å; M12-Y72 WeakPolarHBondContact O-CA 3.49Å; M12-Y72 WeakPolarHBondContact O-CB 3.46Å; M12-I73 HydrophobicContact CB-CG2 3.74Å; M12-I73 HydrophobicContact CG-CG2 4.35Å; M12-I73 PolarHBondContact N-O 3.31Å; M12-I73 PolarHBondContact O-N 2.81Å; M12-I73 HydrophobicContact SD-CG2 4.35Å
13	S	96.6	Very high	94	Very high	84 Å²	84	94 Å²	94	59%	0.587	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131.2	148.9	177.7	66.4	0	0	0	0	111.6	A71	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.37Å
14	C	96.4	Very high	94.4	Very high	48 Å²	48	92.8 Å²	92.8	32%	0.324	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.9	110.2	174.5	-178.7	0	0	0	0	108.7	M26 W28 T70 A71	C14-M26 HydrophobicContact CB-CE 4.5Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.1Å; C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.33Å; C14-A71 PolarHBondContact N-O 3.41Å; C14-A71 PolarHBondContact O-N 3.02Å
15	K	97.2	Very high	94.8	Very high	159 Å²	159	93.5 Å²	93.5	69%	0.691	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.9	122.7	178	-172.8	175.4	-176.4	179	0	110	T70	K15-T70 HydrophobicContact CB-CG2 4.5Å
16	A	96.1	Very high	95	Very high	12 Å²	12	84.5 Å²	84.5	10%	0.099	52%	0.52	C	S	.	.			trans	-84	152.3	176	0	0	0	0	0	111.6	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.93Å; A16-Y19 HydrophobicContact CB-CE2 4.2Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.22Å; A16-F21 HydrophobicContact CB-CB 4.47Å; A16-F21 HydrophobicContact CB-CD2 3.49Å; A16-F21 VanDerWaalsContact CB-CD2 3.49Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 4.32Å; A16-S69 PolarHBondContact N-O 3.01Å
17	S	96.1	Very high	95.3	Very high	104 Å²	104	82.4 Å²	82.4	73%	0.727	50%	0.498	S	S	*	.			trans	-150.1	156	172.4	63.1	0	0	0	0	110.4	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.23Å; S17-Y19 WeakPolarHBondContact O-CD1 3.45Å; S17-Y19 PolarHBondContact O-N 3.09Å
18	G	95.1	Very high	95.7	Very high	90 Å²	90	79.6 Å²	79.6	93%	0.928	46%	0.46	S	S	*	.	S	Bend	trans	82.6	4.5	175.5	0	0	0	0	0	116
19	Y	92.6	Very high	95.9	Very high	105 Å²	105	80.3 Å²	80.3	41%	0.412	46%	0.459	S	S	.	.	S	Bend	trans	-155.4	166.6	175.7	62.8	-88.3	0	0	0	111.7	A16 S17 F21 Y24	A16-Y19 HydrophobicContact CB-CE1 3.93Å; A16-Y19 HydrophobicContact CB-CE2 4.2Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.22Å; S17-Y19 VanDerWaalsContact O-CD1 3.23Å; S17-Y19 WeakPolarHBondContact O-CD1 3.45Å; S17-Y19 PolarHBondContact O-N 3.09Å; Y19-F21 PolarHBondContact O-N 3.49Å; Y19-Y24 AromaticContact CD2-CD2 3.51Å; Y19-Y24 HydrophobicContact CD2-CD2 3.51Å; Y19-Y24 AromaticContact CD2-CE2 3.98Å; Y19-Y24 HydrophobicContact CD2-CE2 3.98Å; Y19-Y24 AromaticContact CE2-CD2 3.86Å; Y19-Y24 HydrophobicContact CE2-CD2 3.86Å; Y19-Y24 HydrophobicContact CE2-CG 4.48Å; Y19-Y24 HydrophobicContact CG-CD2 4.37Å; Y19-Y24 HydrophobicContact CG-CE2 4.46Å
20	T	96.2	Very high	96	Very high	89 Å²	89	78.4 Å²	78.4	55%	0.546	44%	0.435	S	S	.	.			trans	-69.6	100.6	172.6	-56.2	0	0	0	0	109.7	T22 S23	T20-T22 WeakPolarHBondContact CG2-OG1 3.4Å; T20-T22 PolarHBondContact O-N 3.42Å; T20-T22 VanDerWaalsContact O-N 3.07Å; T20-S23 WeakPolarHBondContact CB-OG 3.23Å; T20-S23 WeakPolarHBondContact CG2-OG 3.26Å; T20-S23 VanDerWaalsContact O-CB 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.44Å; T20-S23 PolarHBondContact O-N 3.31Å
21	F	96.9	Very high	96.1	Very high	7 Å²	7	82.5 Å²	82.5	3%	0.031	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-51.5	-36	-174.4	175.4	-119.8	0	0	0	114	A16 Y19 S23 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.47Å; A16-F21 HydrophobicContact CB-CD2 3.49Å; A16-F21 VanDerWaalsContact CB-CD2 3.49Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 4.32Å; Y19-F21 PolarHBondContact O-N 3.49Å; F21-S23 PolarHBondContact O-N 2.8Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; F21-P45 HydrophobicContact CD1-CB 3.72Å; F21-P45 HydrophobicContact CD1-CG 4.22Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.39Å; F21-P45 HydrophobicContact CE1-CG 3.81Å; F21-P45 HydrophobicContact CE2-CB 4.31Å; F21-P45 HydrophobicContact CE2-CG 3.8Å; F21-P45 HydrophobicContact CG-CB 4.35Å; F21-P45 HydrophobicContact CG-CG 4.45Å; F21-P45 HydrophobicContact CZ-CB 3.71Å; F21-P45 HydrophobicContact CZ-CG 3.57Å; F21-A64 HydrophobicContact CE1-CB 4.18Å; F21-A64 HydrophobicContact CZ-CB 4.18Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; F21-A71 HydrophobicContact CE2-CB 4.48Å; F21-A71 HydrophobicContact CZ-CB 4.12Å
22	T	97.4	Very high	96.2	Very high	55 Å²	55	80.6 Å²	80.6	34%	0.337	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-74.4	-9.5	-179.7	53.1	0	0	0	0	114.7	T20 K66	T20-T22 WeakPolarHBondContact CG2-OG1 3.4Å; T20-T22 PolarHBondContact O-N 3.42Å; T20-T22 VanDerWaalsContact O-N 3.07Å; T22-K66 HydrophobicContact CG2-CB 4.43Å; T22-K66 HydrophobicContact CG2-CD 4.27Å; T22-K66 HydrophobicContact CG2-CG 4Å
23	S	96.3	Very high	96.2	Very high	79 Å²	79	82.1 Å²	82.1	55%	0.552	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-85.8	-10.9	-178.5	-60.7	0	0	0	0	113.8	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.23Å; T20-S23 WeakPolarHBondContact CG2-OG 3.26Å; T20-S23 VanDerWaalsContact O-CB 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.44Å; T20-S23 PolarHBondContact O-N 3.31Å; F21-S23 PolarHBondContact O-N 2.8Å
24	Y	94.9	Very high	96.2	Very high	148 Å²	148	82.6 Å²	82.6	58%	0.58	48%	0.475	S	S	*	.	S	Bend	trans	-132.8	152.2	-174.9	-62.8	-83.4	0	0	0	112	Y19 P45	Y19-Y24 AromaticContact CD2-CD2 3.51Å; Y19-Y24 HydrophobicContact CD2-CD2 3.51Å; Y19-Y24 AromaticContact CD2-CE2 3.98Å; Y19-Y24 HydrophobicContact CD2-CE2 3.98Å; Y19-Y24 AromaticContact CE2-CD2 3.86Å; Y19-Y24 HydrophobicContact CE2-CD2 3.86Å; Y19-Y24 HydrophobicContact CE2-CG 4.48Å; Y19-Y24 HydrophobicContact CG-CD2 4.37Å; Y19-Y24 HydrophobicContact CG-CE2 4.46Å; Y24-P45 WeakPolarHBondContact O-CD 3.35Å
25	T	96.9	Very high	96.1	Very high	60 Å²	60	84.7 Å²	84.7	37%	0.368	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-81.6	140.7	173	50.2	0	0	0	0	111.2	H27 Y42 I43 N44	T25-H27 PolarHBondContact OG1-NE2 2.86Å; T25-H27 VanDerWaalsContact OG1-NE2 3.09Å; T25-Y42 HydrophobicContact CG2-CD2 3.74Å; T25-Y42 HydrophobicContact CG2-CE2 3.91Å; T25-I43 WeakPolarHBondContact CA-O 3.46Å; T25-N44 HydrophobicContact CG2-CB 4.01Å
26	M	97.4	Very high	96.1	Very high	26 Å²	26	79.8 Å²	79.8	13%	0.128	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.1	171.5	-171.5	68.4	69.6	0	0	109.3	C14 F21 Y42 I43 A71	C14-M26 HydrophobicContact CB-CE 4.5Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; M26-Y42 CarbonylContact O-C 3.41Å; M26-Y42 WeakPolarHBondContact O-CA 3.23Å; M26-Y42 WeakPolarHBondContact O-CB 3.26Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 2.88Å; M26-A71 HydrophobicContact CB-CB 4.04Å; M26-A71 HydrophobicContact CE-CB 4.41Å; M26-A71 HydrophobicContact CG-CB 3.74Å
27	H	97.6	Very high	96.1	Very high	95 Å²	95	84.7 Å²	84.7	44%	0.44	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.3	178.3	-71.4	-108.6	0	0	0	111	T25 W39 Y42	T25-H27 PolarHBondContact OG1-NE2 2.86Å; T25-H27 VanDerWaalsContact OG1-NE2 3.09Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 3.21Å; H27-Y42 AromaticContact CE1-CD1 3.82Å
28	W	98	Very high	96.2	Very high	28 Å²	28	82.1 Å²	82.1	11%	0.106	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.7	173.2	-67.7	93.3	0	0	0	109.8	M12 C14 I40 G41 L62 A71 I73	M12-W28 HydrophobicContact CB-CH2 4.25Å; M12-W28 HydrophobicContact CB-CZ3 4.19Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.1Å; W28-I40 HydrophobicContact CB-CB 4.2Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 3.25Å; W28-G41 PolarHBondContact N-O 3.06Å; W28-G41 PolarHBondContact O-N 3.1Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; W28-A71 HydrophobicContact CZ2-CB 4.33Å; W28-I73 HydrophobicContact CB-CD1 3.91Å; W28-I73 HydrophobicContact CD2-CB 3.83Å; W28-I73 HydrophobicContact CD2-CD1 4.27Å; W28-I73 HydrophobicContact CD2-CG2 3.59Å; W28-I73 HydrophobicContact CE3-CB 4.14Å; W28-I73 HydrophobicContact CE3-CG2 3.36Å; W28-I73 HydrophobicContact CG-CB 4.23Å; W28-I73 HydrophobicContact CG-CD1 4.01Å; W28-I73 HydrophobicContact CG-CG2 4.39Å; W28-I73 HydrophobicContact CH2-CB 4.42Å; W28-I73 HydrophobicContact CH2-CG2 3.61Å; W28-I73 HydrophobicContact CZ2-CB 4.14Å; W28-I73 HydrophobicContact CZ2-CG2 3.84Å; W28-I73 HydrophobicContact CZ3-CB 4.42Å; W28-I73 HydrophobicContact CZ3-CG2 3.37Å
29	V	97.3	Very high	96.3	Very high	76 Å²	76	81.8 Å²	81.8	46%	0.461	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.2	-179.8	-64.7	0	0	0	0	109.7	L37 E38	V29-L37 HydrophobicContact CG2-CD2 4.48Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å
30	K	95.3	Very high	96.5	Very high	83 Å²	83	77.5 Å²	77.5	36%	0.361	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.8	171.3	-179.1	176.4	-175.2	171	0	108.9	E38 I40 F56	K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.98Å; K30-E38 PolarHBondContact O-N 2.83Å; K30-I40 HydrophobicContact CB-CD1 4.01Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CD-CE1 4.4Å
31	Q	95.5	Very high	96.6	Very high	137 Å²	137	73.3 Å²	73.3	64%	0.64	41%	0.405	S	S	*	.			trans	-121.5	139	170	-165.5	176.1	17.1	0	0	109.6	L37	Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.92Å
32	R	94.7	Very high	96.7	Very high	101 Å²	101	75.6 Å²	75.6	38%	0.381	41%	0.413	S	S	.	.			trans	-115	152.3	169.4	-53.2	-171.6	-151	-179.1	0.5	109	G34 Q35	R32-G34 PolarHBondContact O-N 3.49Å; R32-Q35 HydrophobicContact CB-CB 4.12Å; R32-Q35 HydrophobicContact CB-CG 4.15Å; R32-Q35 PolarHBondContact O-N 3.21Å
33	P	96.1	Very high	96.8	Very high	138 Å²	138	73.1 Å²	73.1	90%	0.896	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	128.5	174	-26	34.9	0	0	0	110.9	Q35	P33-Q35 PolarHBondContact O-N 2.83Å
34	G	96.1	Very high	96.8	Very high	94 Å²	94	71.9 Å²	71.9	97%	0.969	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	4	-178.6	0	0	0	0	0	116	R32	R32-G34 PolarHBondContact O-N 3.49Å
35	Q	95.3	Very high	97	Very high	92 Å²	92	64.9 Å²	64.9	43%	0.43	36%	0.358	S	S	.	.	S	Bend	trans	-113.9	154.6	176.5	-60.8	-169.9	-22.4	0	0	111.7	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.12Å; R32-Q35 HydrophobicContact CB-CG 4.15Å; R32-Q35 PolarHBondContact O-N 3.21Å; P33-Q35 PolarHBondContact O-N 2.83Å
36	G	95.8	Very high	97	Very high	57 Å²	57	63.3 Å²	63.3	59%	0.588	35%	0.354	S	S	*	.			trans	-66.7	174.2	172	0	0	0	0	0	113.1	E38	G36-E38 PolarHBondContact O-N 2.91Å
37	L	97	Very high	97	Very high	114 Å²	114	65.9 Å²	65.9	60%	0.597	37%	0.374	S	S	*	.			trans	-71.1	122.2	173.9	-60.3	178.3	0	0	0	110.1	V29 Q31	V29-L37 HydrophobicContact CG2-CD2 4.48Å; Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.92Å
38	E	97.3	Very high	96.9	Very high	50 Å²	50	63.3 Å²	63.3	23%	0.234	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.4	169.4	-66.7	-171	176	0	0	109.2	V29 K30 G36 I40 K55 F56	V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.98Å; K30-E38 PolarHBondContact O-N 2.83Å; G36-E38 PolarHBondContact O-N 2.91Å; E38-I40 PolarHBondContact O-N 3.48Å; E38-K55 VanDerWaalsContact CD-NZ 3.25Å; E38-K55 IonicContact OE1-NZ 3.02Å; E38-K55 PolarHBondContact OE1-NZ 2.86Å; E38-K55 IonicContact OE2-NZ 2.81Å; E38-K55 PolarHBondContact OE2-NZ 2.91Å; E38-F56 HydrophobicContact CB-CZ 4.45Å; E38-F56 WeakPolarHBondContact OE2-CZ 3.36Å
39	W	97.7	Very high	96.8	Very high	83 Å²	83	68.7 Å²	68.7	31%	0.314	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.5	175.6	-177.9	64.4	0	0	0	111.3	H27 G41 Y42 K51 N53	H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 3.21Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 VanDerWaalsContact CE2-CA 3.46Å; W39-G41 VanDerWaalsContact NE1-C 3.34Å; W39-G41 PolarHBondContact NE1-O 3.35Å; W39-Y42 HydrophobicContact CH2-CD1 4.45Å; W39-Y42 AromaticContact CZ2-CD1 3.76Å; W39-Y42 HydrophobicContact CZ2-CD1 3.76Å; W39-K51 HydrophobicContact CH2-CD 4.35Å; W39-K51 HydrophobicContact CH2-CG 4.21Å; W39-N53 HydrophobicContact CE3-CB 3.83Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 VanDerWaalsContact O-CB 3.26Å; W39-N53 WeakPolarHBondContact O-CB 3.47Å; W39-N53 PolarHBondContact O-ND2 2.9Å
40	I	98	Very high	96.9	Very high	16 Å²	16	66.8 Å²	66.8	8%	0.082	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-48.4	178.5	-64.4	162.7	0	0	0	110.5	W28 K30 E38 N53 F56 A60 I73	W28-I40 HydrophobicContact CB-CB 4.2Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 3.25Å; K30-I40 HydrophobicContact CB-CD1 4.01Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; E38-I40 PolarHBondContact O-N 3.48Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 2.91Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.32Å; I40-F56 HydrophobicContact CG1-CD1 4.18Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.15Å; I40-F56 HydrophobicContact CG1-CE2 4.16Å; I40-F56 HydrophobicContact CG1-CG 4.2Å; I40-F56 HydrophobicContact CG1-CZ 4.13Å; I40-F56 HydrophobicContact CG2-CB 3.79Å; I40-F56 HydrophobicContact CG2-CD1 4.37Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.96Å; I40-A60 HydrophobicContact CG2-CB 4.1Å; I40-I73 HydrophobicContact CB-CD1 4.49Å; I40-I73 HydrophobicContact CD1-CD1 3.88Å; I40-I73 HydrophobicContact CG2-CD1 3.78Å
41	G	98.2	Very high	97	Very high	0 Å²	0	68 Å²	68	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-179.6	-172.3	0	0	0	0	0	112.4	W28 W39 K51	W28-G41 PolarHBondContact N-O 3.06Å; W28-G41 PolarHBondContact O-N 3.1Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 VanDerWaalsContact CE2-CA 3.46Å; W39-G41 VanDerWaalsContact NE1-C 3.34Å; W39-G41 PolarHBondContact NE1-O 3.35Å; G41-K51 CarbonylContact C-O 3.59Å; G41-K51 WeakPolarHBondContact CA-O 3.43Å
42	Y	98.4	Very high	97.1	Very high	55 Å²	55	64.2 Å²	64.2	22%	0.216	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.4	166.6	76.5	-107.5	0	0	0	110.6	T25 M26 H27 W39 P50 K51 L62	T25-Y42 HydrophobicContact CG2-CD2 3.74Å; T25-Y42 HydrophobicContact CG2-CE2 3.91Å; M26-Y42 CarbonylContact O-C 3.41Å; M26-Y42 WeakPolarHBondContact O-CA 3.23Å; M26-Y42 WeakPolarHBondContact O-CB 3.26Å; H27-Y42 AromaticContact CE1-CD1 3.82Å; W39-Y42 HydrophobicContact CH2-CD1 4.45Å; W39-Y42 AromaticContact CZ2-CD1 3.76Å; W39-Y42 HydrophobicContact CZ2-CD1 3.76Å; Y42-P50 CarbonylContact O-C 3.53Å; Y42-P50 VanDerWaalsContact O-CA 3.31Å; Y42-P50 WeakPolarHBondContact O-CA 3.45Å; Y42-K51 HydrophobicContact CD1-CB 3.95Å; Y42-K51 HydrophobicContact CD1-CD 4.49Å; Y42-K51 HydrophobicContact CE1-CB 3.54Å; Y42-K51 HydrophobicContact CE1-CD 3.65Å; Y42-K51 HydrophobicContact CE1-CG 4.18Å; Y42-K51 HydrophobicContact CE2-CB 4.24Å; Y42-K51 HydrophobicContact CG-CB 4.45Å; Y42-K51 PolarHBondContact N-O 3.09Å; Y42-K51 PolarHBondContact O-N 3.14Å; Y42-L62 WeakPolarHBondContact O-CD1 3.31Å
43	I	98.4	Very high	97.3	Very high	3 Å²	3	62 Å²	62	2%	0.015	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.6	163.3	-175.4	158.3	0	0	0	109.8	T25 M26 P45 L62 A64 A71	T25-I43 WeakPolarHBondContact CA-O 3.46Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 2.88Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.12Å; I43-L62 HydrophobicContact CB-CB 4.12Å; I43-A64 HydrophobicContact CD1-CB 3.95Å; I43-A64 HydrophobicContact CG1-CB 4.35Å; I43-A64 HydrophobicContact CG2-CB 4.42Å; I43-A71 HydrophobicContact CG2-CB 4.4Å
44	N	98	Very high	97.3	Very high	53 Å²	53	62.3 Å²	62.3	28%	0.283	36%	0.355	S	S	.	.			trans	-85.7	108.8	165.8	-178	-40.3	0	0	0	107.7	T25 G46 S47 G48 Y49	T25-N44 HydrophobicContact CG2-CB 4.01Å; N44-G46 PolarHBondContact O-N 3.06Å; N44-G46 VanDerWaalsContact OD1-CA 3.32Å; N44-G46 WeakPolarHBondContact OD1-CA 2.98Å; N44-G46 PolarHBondContact OD1-N 2.81Å; N44-S47 WeakPolarHBondContact CB-OG 3.44Å; N44-S47 PolarHBondContact O-N 2.78Å; N44-S47 PolarHBondContact OD1-N 3.03Å; N44-S47 VanDerWaalsContact OD1-N 3.12Å; N44-G48 VanDerWaalsContact O-CA 3.27Å; N44-G48 WeakPolarHBondContact O-CA 3.47Å; N44-G48 PolarHBondContact O-N 3.08Å; N44-Y49 PolarHBondContact N-O 2.96Å
45	P	97.6	Very high	97.3	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.8	-178.5	-17.8	32.9	0	0	0	112.9	F21 Y24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.72Å; F21-P45 HydrophobicContact CD1-CG 4.22Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.39Å; F21-P45 HydrophobicContact CE1-CG 3.81Å; F21-P45 HydrophobicContact CE2-CB 4.31Å; F21-P45 HydrophobicContact CE2-CG 3.8Å; F21-P45 HydrophobicContact CG-CB 4.35Å; F21-P45 HydrophobicContact CG-CG 4.45Å; F21-P45 HydrophobicContact CZ-CB 3.71Å; F21-P45 HydrophobicContact CZ-CG 3.57Å; Y24-P45 WeakPolarHBondContact O-CD 3.35Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.12Å; P45-A64 HydrophobicContact CB-CB 3.95Å; P45-A64 HydrophobicContact CG-CB 4.4Å; P45-K66 WeakPolarHBondContact O-CE 3.31Å
46	G	97.1	Very high	97.3	Very high	28 Å²	28	59.1 Å²	59.1	29%	0.289	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-52.3	175.7	0	0	0	0	0	112.5	N44 K66	N44-G46 PolarHBondContact O-N 3.06Å; N44-G46 VanDerWaalsContact OD1-CA 3.32Å; N44-G46 WeakPolarHBondContact OD1-CA 2.98Å; N44-G46 PolarHBondContact OD1-N 2.81Å; G46-K66 WeakPolarHBondContact O-CE 2.91Å; G46-K66 PolarHBondContact O-NZ 2.66Å
47	S	96.9	Very high	97.2	Very high	79 Å²	79	61.8 Å²	61.8	55%	0.552	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-16.8	-179.9	63.4	0	0	0	0	114.6	N44 Y49	N44-S47 WeakPolarHBondContact CB-OG 3.44Å; N44-S47 PolarHBondContact O-N 2.78Å; N44-S47 PolarHBondContact OD1-N 3.03Å; N44-S47 VanDerWaalsContact OD1-N 3.12Å; S47-Y49 PolarHBondContact O-N 3.05Å; S47-Y49 WeakPolarHBondContact OG-CB 3.29Å; S47-Y49 PolarHBondContact OG-N 3.18Å
48	G	96.1	Very high	97.1	Very high	41 Å²	41	63.4 Å²	63.4	42%	0.423	32%	0.318	S	S	.	.			trans	72.6	6.9	-170.3	0	0	0	0	0	113.8	N44 P50	N44-G48 VanDerWaalsContact O-CA 3.27Å; N44-G48 WeakPolarHBondContact O-CA 3.47Å; N44-G48 PolarHBondContact O-N 3.08Å; G48-P50 WeakPolarHBondContact O-CD 3.37Å
49	Y	97.1	Very high	97	Very high	141 Å²	141	69 Å²	69	55%	0.553	34%	0.341	S	S	*	.			trans	-80.2	122.2	-176.1	-179.3	-98.9	0	0	0	111.7	N44 S47 K51	N44-Y49 PolarHBondContact N-O 2.96Å; S47-Y49 PolarHBondContact O-N 3.05Å; S47-Y49 WeakPolarHBondContact OG-CB 3.29Å; S47-Y49 PolarHBondContact OG-N 3.18Å; Y49-K51 HydrophobicContact CE1-CB 4.35Å
50	P	97.6	Very high	96.9	Very high	37 Å²	37	65.6 Å²	65.6	24%	0.24	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145.6	172.5	36.9	-32.7	0	0	0	111.9	Y42 G48 Y52 L62	Y42-P50 CarbonylContact O-C 3.53Å; Y42-P50 VanDerWaalsContact O-CA 3.31Å; Y42-P50 WeakPolarHBondContact O-CA 3.45Å; G48-P50 WeakPolarHBondContact O-CD 3.37Å; P50-Y52 HydrophobicContact CB-CE2 3.66Å; P50-Y52 HydrophobicContact CG-CE2 3.75Å; P50-L62 HydrophobicContact CB-CB 4.12Å
51	K	98.1	Very high	96.9	Very high	107 Å²	107	69.4 Å²	69.4	47%	0.465	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.4	165.5	-169.5	178.9	-177.5	175.4	0	109.3	W39 G41 Y42 Y49	W39-K51 HydrophobicContact CH2-CD 4.35Å; W39-K51 HydrophobicContact CH2-CG 4.21Å; G41-K51 CarbonylContact C-O 3.59Å; G41-K51 WeakPolarHBondContact CA-O 3.43Å; Y42-K51 HydrophobicContact CD1-CB 3.95Å; Y42-K51 HydrophobicContact CD1-CD 4.49Å; Y42-K51 HydrophobicContact CE1-CB 3.54Å; Y42-K51 HydrophobicContact CE1-CD 3.65Å; Y42-K51 HydrophobicContact CE1-CG 4.18Å; Y42-K51 HydrophobicContact CE2-CB 4.24Å; Y42-K51 HydrophobicContact CG-CB 4.45Å; Y42-K51 PolarHBondContact N-O 3.09Å; Y42-K51 PolarHBondContact O-N 3.14Å; Y49-K51 HydrophobicContact CE1-CB 4.35Å
52	Y	98.4	Very high	96.9	Very high	58 Å²	58	69.7 Å²	69.7	23%	0.227	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.8	-177.4	-60.6	-89	0	0	0	111.4	P50 K57 A60 L62	P50-Y52 HydrophobicContact CB-CE2 3.66Å; P50-Y52 HydrophobicContact CG-CE2 3.75Å; Y52-K57 HydrophobicContact CD2-CG 4.45Å; Y52-K57 HydrophobicContact CG-CG 4.41Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; Y52-L62 HydrophobicContact CD1-CD1 4.46Å; Y52-L62 HydrophobicContact CD1-CG 4.43Å; Y52-L62 HydrophobicContact CE1-CB 4.44Å; Y52-L62 HydrophobicContact CE1-CD1 4.12Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.59Å; Y52-L62 VanDerWaalsContact OH-N 3.08Å
53	N	97.8	Very high	96.9	Very high	54 Å²	54	70 Å²	70	29%	0.289	37%	0.365	S	S	.	.			trans	-71.3	136	153.3	177.1	-22.4	0	0	0	108.5	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.83Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 VanDerWaalsContact O-CB 3.26Å; W39-N53 WeakPolarHBondContact O-CB 3.47Å; W39-N53 PolarHBondContact O-ND2 2.9Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 2.91Å; N53-K55 PolarHBondContact O-N 2.96Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.85Å; N53-K57 PolarHBondContact O-N 3.16Å
54	Q	96.9	Very high	96.9	Very high	145 Å²	145	71.5 Å²	71.5	68%	0.678	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-52.5	-33.8	-176.8	-167.3	64.1	14.8	0	0	113.3	F56	Q54-F56 PolarHBondContact O-N 2.87Å
55	K	95.8	Very high	96.8	Very high	101 Å²	101	71.5 Å²	71.5	44%	0.439	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23.6	177.8	-175.2	-179.6	179	-172.1	0	113.8	E38 N53	E38-K55 VanDerWaalsContact CD-NZ 3.25Å; E38-K55 IonicContact OE1-NZ 3.02Å; E38-K55 PolarHBondContact OE1-NZ 2.86Å; E38-K55 IonicContact OE2-NZ 2.81Å; E38-K55 PolarHBondContact OE2-NZ 2.91Å; N53-K55 PolarHBondContact O-N 2.96Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å
56	F	95.9	Very high	96.8	Very high	18 Å²	18	77 Å²	77	8%	0.079	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-118.5	-3.1	-171.9	-61	-81.1	0	0	0	114.1	K30 E38 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.45Å; E38-F56 WeakPolarHBondContact OE2-CZ 3.36Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.32Å; I40-F56 HydrophobicContact CG1-CD1 4.18Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.15Å; I40-F56 HydrophobicContact CG1-CE2 4.16Å; I40-F56 HydrophobicContact CG1-CG 4.2Å; I40-F56 HydrophobicContact CG1-CZ 4.13Å; I40-F56 HydrophobicContact CG2-CB 3.79Å; I40-F56 HydrophobicContact CG2-CD1 4.37Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.96Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.85Å; Q54-F56 PolarHBondContact O-N 2.87Å; F56-D58 PolarHBondContact O-N 3.21Å; F56-D58 VanDerWaalsContact O-N 3.16Å; F56-K59 PolarHBondContact O-N 3.09Å; F56-A60 PolarHBondContact O-N 3.49Å
57	K	93.9	Very high	96.7	Very high	113 Å²	113	80.9 Å²	80.9	49%	0.491	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-38.1	-175.3	-170.1	178	-179.4	-176.5	0	113.4	Y52 N53	Y52-K57 HydrophobicContact CD2-CG 4.45Å; Y52-K57 HydrophobicContact CG-CG 4.41Å; N53-K57 PolarHBondContact O-N 3.16Å
58	D	94.8	Very high	96.7	Very high	149 Å²	149	78.8 Å²	78.8	80%	0.797	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	15.2	-179.3	-48.4	-48.3	0	0	0	112.8	F56	F56-D58 PolarHBondContact O-N 3.21Å; F56-D58 VanDerWaalsContact O-N 3.16Å
59	K	95	Very high	96.8	Very high	166 Å²	166	78.6 Å²	78.6	72%	0.722	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-13.7	-174.8	-60.1	-173.6	-179	-178	0	114.2	F56	F56-K59 PolarHBondContact O-N 3.09Å
60	A	95.6	Very high	96.9	Very high	12 Å²	12	72.3 Å²	72.3	10%	0.099	38%	0.377	C	S	.	.			trans	-141.9	145.3	-175.1	0	0	0	0	0	109.8	I40 Y52 F56 I73	I40-A60 HydrophobicContact CG2-CB 4.1Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; F56-A60 PolarHBondContact O-N 3.49Å; A60-I73 HydrophobicContact CB-CD1 3.9Å; A60-I73 HydrophobicContact CB-CG1 3.9Å
61	T	97.3	Very high	96.9	Very high	97 Å²	97	70.6 Å²	70.6	60%	0.595	37%	0.366	S	S	*	.			trans	-123	109.4	176.6	-58.7	0	0	0	0	108.8	T63	T61-T63 HydrophobicContact CG2-CG2 4.14Å
62	L	98.2	Very high	96.9	Very high	6 Å²	6	67.8 Å²	67.8	3%	0.031	35%	0.353	C	S	.	.			trans	-87.1	126.4	179.8	-52.3	-174.5	0	0	0	110.3	W28 Y42 I43 P50 Y52 Y72 I73	W28-L62 HydrophobicContact CG-CD2 4.11Å; Y42-L62 WeakPolarHBondContact O-CD1 3.31Å; I43-L62 HydrophobicContact CB-CB 4.12Å; P50-L62 HydrophobicContact CB-CB 4.12Å; Y52-L62 HydrophobicContact CD1-CD1 4.46Å; Y52-L62 HydrophobicContact CD1-CG 4.43Å; Y52-L62 HydrophobicContact CE1-CB 4.44Å; Y52-L62 HydrophobicContact CE1-CD1 4.12Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.59Å; Y52-L62 VanDerWaalsContact OH-N 3.08Å; L62-Y72 WeakPolarHBondContact CA-O 3.35Å; L62-I73 HydrophobicContact CD2-CB 3.77Å; L62-I73 HydrophobicContact CD2-CD1 3.64Å; L62-I73 HydrophobicContact CD2-CG1 3.57Å
63	T	98	Very high	96.8	Very high	62 Å²	62	66.8 Å²	66.8	38%	0.38	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.3	176.1	61.7	0	0	0	0	111.3	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.14Å; T63-A71 CarbonylContact O-C 3.52Å; T63-A71 WeakPolarHBondContact O-CA 3.32Å; T63-Y72 PolarHBondContact N-O 3.39Å; T63-Y72 PolarHBondContact O-N 2.77Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.27Å
64	A	98.1	Very high	96.8	Very high	33 Å²	33	67.4 Å²	67.4	27%	0.273	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135.7	178.3	0	0	0	0	0	110.5	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.18Å; F21-A64 HydrophobicContact CZ-CB 4.18Å; I43-A64 HydrophobicContact CD1-CB 3.95Å; I43-A64 HydrophobicContact CG1-CB 4.35Å; I43-A64 HydrophobicContact CG2-CB 4.42Å; P45-A64 HydrophobicContact CB-CB 3.95Å; P45-A64 HydrophobicContact CG-CB 4.4Å; A64-T70 CarbonylContact C-O 3.58Å; A64-T70 WeakPolarHBondContact CA-O 3.32Å
65	D	97.5	Very high	96.7	Very high	53 Å²	53	63.3 Å²	63.3	28%	0.283	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.9	171	174	9.6	0	0	0	109.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.31Å; D65-S67 PolarHBondContact OD1-OG 2.9Å; D65-S67 PolarHBondContact OD2-OG 3.41Å; D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 PolarHBondContact OD1-N 3.09Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.31Å; D65-S68 PolarHBondContact OD2-OG 2.92Å; D65-S69 WeakPolarHBondContact O-CA 2.83Å; D65-S69 PolarHBondContact O-N 3.12Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 2.86Å; D65-T70 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 4.09Å
66	K	96.2	Very high	96.8	Very high	117 Å²	117	61.2 Å²	61.2	51%	0.509	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-35.2	-179.2	-62.7	176	174.4	177	0	111.8	T22 P45 G46 S69	T22-K66 HydrophobicContact CG2-CB 4.43Å; T22-K66 HydrophobicContact CG2-CD 4.27Å; T22-K66 HydrophobicContact CG2-CG 4Å; P45-K66 WeakPolarHBondContact O-CE 3.31Å; G46-K66 WeakPolarHBondContact O-CE 2.91Å; G46-K66 PolarHBondContact O-NZ 2.66Å; K66-S69 PolarHBondContact O-N 3.45Å
67	S	95.9	Very high	96.8	Very high	109 Å²	109	63.8 Å²	63.8	76%	0.762	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-41.1	-174.5	70.7	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.31Å; D65-S67 PolarHBondContact OD1-OG 2.9Å; D65-S67 PolarHBondContact OD2-OG 3.41Å
68	S	97.3	Very high	97	Very high	36 Å²	36	60.7 Å²	60.7	25%	0.252	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-1.8	177.8	66.1	0	0	0	0	113.8	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 PolarHBondContact OD1-N 3.09Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.31Å; D65-S68 PolarHBondContact OD2-OG 2.92Å; S68-T70 PolarHBondContact O-N 3.07Å; S68-T70 PolarHBondContact O-OG1 3.33Å; S68-T70 VanDerWaalsContact O-OG1 3.09Å; S68-T70 WeakPolarHBondContact OG-CB 3.34Å; S68-T70 PolarHBondContact OG-OG1 3.3Å
69	S	97.7	Very high	97.2	Very high	36 Å²	36	54.8 Å²	54.8	25%	0.252	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	42	-172.4	-63.5	0	0	0	0	113	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 3.01Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 WeakPolarHBondContact O-CA 2.83Å; D65-S69 PolarHBondContact O-N 3.12Å; D65-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-N 3.45Å
70	T	98.2	Very high	97.3	Very high	10 Å²	10	46.9 Å²	46.9	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131	-173.3	-53.5	0	0	0	0	111.4	C14 K15 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.33Å; K15-T70 HydrophobicContact CB-CG2 4.5Å; A64-T70 CarbonylContact C-O 3.58Å; A64-T70 WeakPolarHBondContact CA-O 3.32Å; D65-T70 PolarHBondContact N-O 2.86Å; D65-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-N 3.07Å; S68-T70 PolarHBondContact O-OG1 3.33Å; S68-T70 VanDerWaalsContact O-OG1 3.09Å; S68-T70 WeakPolarHBondContact OG-CB 3.34Å; S68-T70 PolarHBondContact OG-OG1 3.3Å; T70-Y72 HydrophobicContact CG2-CD1 4.39Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.94Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.47Å
71	A	98.2	Very high	97.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	152.9	169.6	0	0	0	0	0	111	S13 C14 F21 M26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.37Å; C14-A71 PolarHBondContact N-O 3.41Å; C14-A71 PolarHBondContact O-N 3.02Å; F21-A71 HydrophobicContact CE2-CB 4.48Å; F21-A71 HydrophobicContact CZ-CB 4.12Å; M26-A71 HydrophobicContact CB-CB 4.04Å; M26-A71 HydrophobicContact CE-CB 4.41Å; M26-A71 HydrophobicContact CG-CB 3.74Å; W28-A71 HydrophobicContact CZ2-CB 4.33Å; I43-A71 HydrophobicContact CG2-CB 4.4Å; T63-A71 CarbonylContact O-C 3.52Å; T63-A71 WeakPolarHBondContact O-CA 3.32Å
72	Y	97.9	Very high	97.5	Very high	48 Å²	48	45.6 Å²	45.6	19%	0.188	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.9	179.1	-50	-90.6	0	0	0	112.1	K11 M12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; M12-Y72 WeakPolarHBondContact O-CA 3.49Å; M12-Y72 WeakPolarHBondContact O-CB 3.46Å; L62-Y72 WeakPolarHBondContact CA-O 3.35Å; T63-Y72 PolarHBondContact N-O 3.39Å; T63-Y72 PolarHBondContact O-N 2.77Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.27Å; D65-Y72 HydrophobicContact CB-CE2 4.09Å; T70-Y72 HydrophobicContact CG2-CD1 4.39Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.94Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.47Å
73	I	96.7	Very high	97.4	Very high	37 Å²	37	49.2 Å²	49.2	19%	0.19	29%	0.286	C	S	.	.			trans	-137.3	0	169.2	-176	169.4	0	0	0	110.4	K11 M12 W28 I40 A60 L62	K11-I73 CarbonylContact C-O 3.56Å; K11-I73 WeakPolarHBondContact CA-O 3.35Å; M12-I73 HydrophobicContact CB-CG2 3.74Å; M12-I73 HydrophobicContact CG-CG2 4.35Å; M12-I73 PolarHBondContact N-O 3.31Å; M12-I73 PolarHBondContact O-N 2.81Å; M12-I73 HydrophobicContact SD-CG2 4.35Å; W28-I73 HydrophobicContact CB-CD1 3.91Å; W28-I73 HydrophobicContact CD2-CB 3.83Å; W28-I73 HydrophobicContact CD2-CD1 4.27Å; W28-I73 HydrophobicContact CD2-CG2 3.59Å; W28-I73 HydrophobicContact CE3-CB 4.14Å; W28-I73 HydrophobicContact CE3-CG2 3.36Å; W28-I73 HydrophobicContact CG-CB 4.23Å; W28-I73 HydrophobicContact CG-CD1 4.01Å; W28-I73 HydrophobicContact CG-CG2 4.39Å; W28-I73 HydrophobicContact CH2-CB 4.42Å; W28-I73 HydrophobicContact CH2-CG2 3.61Å; W28-I73 HydrophobicContact CZ2-CB 4.14Å; W28-I73 HydrophobicContact CZ2-CG2 3.84Å; W28-I73 HydrophobicContact CZ3-CB 4.42Å; W28-I73 HydrophobicContact CZ3-CG2 3.37Å; I40-I73 HydrophobicContact CB-CD1 4.49Å; I40-I73 HydrophobicContact CD1-CD1 3.88Å; I40-I73 HydrophobicContact CG2-CD1 3.78Å; A60-I73 HydrophobicContact CB-CD1 3.9Å; A60-I73 HydrophobicContact CB-CG1 3.9Å; L62-I73 HydrophobicContact CD2-CB 3.77Å; L62-I73 HydrophobicContact CD2-CD1 3.64Å; L62-I73 HydrophobicContact CD2-CG1 3.57Å

Retrieved 73 of 73 residues in 16.3 ms (Link to these results)

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