X5J525_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J525, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 88 aa.

						>X5J525_MOUSE|X5J525
GASVKLSCPASGFNIKDYYMHWVKQRTEQGLEWIGRIDPEDGETKYAPKFQGKATITADTSSNTAYLQLSSLTSEDTAVYYCESGGYF
					

Structure Viewer

Loading PAE data...

(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	77.1	Confident	94.3	Very high	88 Å²	88	69.2 Å²	69.2	91%	0.907	47%	0.473	S	S	*	.				0	174.9	0	0	0	0	0	0	109.8
2	A	91.5	Very high	94.2	Very high	70 Å²	70	71 Å²	71	58%	0.579	51%	0.512	S	S	*	.			trans	-68.4	165.2	173.4	0	0	0	0	0	111.3	S71 L72	A2-S71 PolarHBondContact O-N 3.33Å; A2-L72 WeakPolarHBondContact O-CB 3.44Å; A2-L72 WeakPolarHBondContact O-CG 3.19Å; A2-L72 PolarHBondContact O-N 3.2Å
3	S	95	Very high	94	Very high	73 Å²	73	70 Å²	70	51%	0.51	49%	0.492	S	S	.	.			trans	-126.3	147.3	174.9	-60.6	0	0	0	0	109.9	L69	S3-L69 CarbonylContact C-O 3.51Å; S3-L69 WeakPolarHBondContact CA-O 3.34Å; S3-L69 WeakPolarHBondContact CB-O 3.3Å
4	V	96.4	Very high	94	Very high	59 Å²	59	69.9 Å²	69.9	36%	0.358	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.3	174.7	71.3	0	0	0	0	109.5	L6 Q68 L69 L72	V4-L6 HydrophobicContact CG2-CD2 4.11Å; V4-Q68 WeakPolarHBondContact O-CA 3.45Å; V4-L69 HydrophobicContact CG1-CB 4.14Å; V4-L69 HydrophobicContact CG1-CD1 4.44Å; V4-L69 PolarHBondContact N-O 3.01Å; V4-L69 PolarHBondContact O-N 3.11Å; V4-L72 HydrophobicContact CB-CD1 4.02Å; V4-L72 HydrophobicContact CG1-CD1 3.84Å
5	K	97.8	Very high	94.1	Very high	124 Å²	124	65.3 Å²	65.3	54%	0.539	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.4	171.1	-174.2	177.3	178.6	-177.7	0	108.7	Y66 L67	K5-Y66 HydrophobicContact CD-CD1 4.47Å; K5-Y66 VanDerWaalsContact CE-CG 3.48Å; K5-Y66 HydrophobicContact CG-CD1 4.48Å; K5-L67 CarbonylContact C-O 3.38Å; K5-L67 WeakPolarHBondContact CA-O 3.26Å
6	L	98.1	Very high	94.2	Very high	48 Å²	48	66.5 Å²	66.5	25%	0.251	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	145.9	175	-54.7	178.7	0	0	0	109	V4 W22 Y66 L67 Y80	V4-L6 HydrophobicContact CG2-CD2 4.11Å; L6-W22 HydrophobicContact CB-CH2 3.99Å; L6-W22 HydrophobicContact CB-CZ3 4.01Å; L6-W22 HydrophobicContact CD1-CZ3 4.33Å; L6-Y66 VanDerWaalsContact O-CA 3.24Å; L6-Y66 WeakPolarHBondContact O-CA 3.21Å; L6-L67 HydrophobicContact CB-CB 4.47Å; L6-L67 HydrophobicContact CD1-CD2 4.29Å; L6-L67 PolarHBondContact N-O 2.84Å; L6-L67 PolarHBondContact O-N 3.11Å; L6-Y80 HydrophobicContact CD1-CD1 4.2Å; L6-Y80 HydrophobicContact CD1-CD2 4.15Å; L6-Y80 HydrophobicContact CD1-CG 3.71Å
7	S	98.1	Very high	94.1	Very high	78 Å²	78	69 Å²	69	55%	0.545	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.9	176.4	58.8	0	0	0	0	110.9	A65	S7-A65 CarbonylContact C-O 3.56Å
8	C	97.7	Very high	94.1	Very high	12 Å²	12	71 Å²	71	8%	0.081	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	91.4	177.9	-178.4	0	0	0	0	109.8	A10 W22 T64 A65 C82	C8-A10 PolarHBondContact O-N 3.05Å; C8-W22 HydrophobicContact CB-CH2 3.73Å; C8-W22 HydrophobicContact CB-CZ2 3.81Å; C8-T64 WeakPolarHBondContact O-CA 3.5Å; C8-A65 HydrophobicContact CB-CB 4.38Å; C8-A65 PolarHBondContact N-O 3.03Å; C8-A65 PolarHBondContact O-N 2.76Å; C8-C82 HydrophobicContact CB-CB 3.5Å; C8-C82 WeakPolarHBondContact CB-SG 3.22Å; C8-C82 WeakPolarHBondContact SG-CB 3.36Å; C8-C82 CovalentContact SG-SG 2.01Å; C8-C82 PolarHBondContact SG-SG 2.63Å
9	P	97.1	Very high	94.2	Very high	92 Å²	92	71.1 Å²	71.1	60%	0.597	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	126.9	174.5	-16.6	31.6	0	0	0	110.3	T64	P9-T64 HydrophobicContact CG-CG2 4.4Å
10	A	94.8	Very high	94.3	Very high	14 Å²	14	67.7 Å²	67.7	12%	0.116	42%	0.421	C	S	.	.			trans	-82.3	140.6	171.6	0	0	0	0	0	110.1	C8 F13 I15 N63	C8-A10 PolarHBondContact O-N 3.05Å; A10-F13 HydrophobicContact CB-CD2 4.31Å; A10-F13 HydrophobicContact CB-CE1 4Å; A10-F13 HydrophobicContact CB-CE2 3.61Å; A10-F13 HydrophobicContact CB-CZ 3.43Å; A10-F13 VanDerWaalsContact CB-CZ 3.43Å; A10-I15 HydrophobicContact CB-CB 4.14Å; A10-I15 HydrophobicContact CB-CD1 4.07Å; A10-I15 HydrophobicContact CB-CG1 4.11Å; A10-N63 WeakPolarHBondContact CB-ND2 3.43Å; A10-N63 WeakPolarHBondContact CB-O 3.43Å; A10-N63 PolarHBondContact N-O 2.8Å; A10-N63 PolarHBondContact O-ND2 3.05Å
11	S	93.4	Very high	94.4	Very high	103 Å²	103	64.9 Å²	64.9	72%	0.72	40%	0.403	S	S	*	.			trans	-137.1	141.2	178.1	68.6	0	0	0	0	110.4	F13	S11-F13 VanDerWaalsContact C-N 3.28Å; S11-F13 VanDerWaalsContact O-CD1 3.28Å; S11-F13 WeakPolarHBondContact O-CD1 3.4Å; S11-F13 PolarHBondContact O-N 3.14Å
12	G	93.1	Very high	95.4	Very high	91 Å²	91	61 Å²	61	94%	0.938	36%	0.361	S	S	*	.	S	Bend	trans	81.6	-1.5	-177.9	0	0	0	0	0	115.4
13	F	91.5	Very high	95.6	Very high	58 Å²	58	58.6 Å²	58.6	25%	0.254	34%	0.339	S	S	.	.	S	Bend	trans	-151.8	161.7	175.2	63.3	-86	0	0	0	111.5	A10 S11 Y18 M20 N63	A10-F13 HydrophobicContact CB-CD2 4.31Å; A10-F13 HydrophobicContact CB-CE1 4Å; A10-F13 HydrophobicContact CB-CE2 3.61Å; A10-F13 HydrophobicContact CB-CZ 3.43Å; A10-F13 VanDerWaalsContact CB-CZ 3.43Å; S11-F13 VanDerWaalsContact C-N 3.28Å; S11-F13 VanDerWaalsContact O-CD1 3.28Å; S11-F13 WeakPolarHBondContact O-CD1 3.4Å; S11-F13 PolarHBondContact O-N 3.14Å; F13-Y18 HydrophobicContact CB-CD2 4.39Å; F13-Y18 HydrophobicContact CB-CE2 3.89Å; F13-Y18 AromaticContact CD2-CD2 3.43Å; F13-Y18 HydrophobicContact CD2-CD2 3.43Å; F13-Y18 VanDerWaalsContact CD2-CD2 3.43Å; F13-Y18 AromaticContact CD2-CE2 3.82Å; F13-Y18 HydrophobicContact CD2-CE2 3.82Å; F13-Y18 HydrophobicContact CD2-CG 4.31Å; F13-Y18 AromaticContact CE2-CD2 3.95Å; F13-Y18 HydrophobicContact CE2-CD2 3.95Å; F13-Y18 HydrophobicContact CE2-CG 4.43Å; F13-Y18 HydrophobicContact CG-CD2 4.15Å; F13-Y18 HydrophobicContact CG-CE2 4.08Å; F13-M20 HydrophobicContact CE2-SD 4.3Å; F13-M20 HydrophobicContact CZ-SD 4.44Å; F13-N63 PolarHBondContact O-ND2 3.35Å
14	N	94.5	Very high	95.6	Very high	69 Å²	69	55.1 Å²	55.1	37%	0.369	32%	0.315	S	S	.	.			trans	-83.3	122.5	170.3	172.6	12.5	0	0	0	109	K16 D17	N14-K16 PolarHBondContact O-N 2.62Å; N14-K16 VanDerWaalsContact O-N 3.1Å; N14-K16 PolarHBondContact OD1-N 2.82Å; N14-D17 WeakPolarHBondContact CB-OD2 3.32Å; N14-D17 PolarHBondContact O-N 3.17Å
15	I	95.3	Very high	95.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-61	-23.2	-174.5	-157.7	168.9	0	0	0	112.6	A10 D17 M20 P39 T60 N63 A65	A10-I15 HydrophobicContact CB-CB 4.14Å; A10-I15 HydrophobicContact CB-CD1 4.07Å; A10-I15 HydrophobicContact CB-CG1 4.11Å; I15-D17 PolarHBondContact O-N 3.11Å; I15-M20 HydrophobicContact CD1-CE 4.48Å; I15-M20 HydrophobicContact CD1-CG 3.94Å; I15-M20 HydrophobicContact CD1-SD 4.23Å; I15-M20 HydrophobicContact CG1-CG 3.66Å; I15-M20 HydrophobicContact CG1-SD 3.8Å; I15-P39 HydrophobicContact CG1-CB 4.4Å; I15-P39 HydrophobicContact CG1-CG 4.03Å; I15-P39 HydrophobicContact CG2-CB 4.19Å; I15-P39 WeakPolarHBondContact O-CB 3.45Å; I15-P39 WeakPolarHBondContact O-CG 3.45Å; I15-T60 HydrophobicContact CG2-CG2 4.16Å; I15-N63 WeakPolarHBondContact CB-OD1 3.38Å; I15-N63 WeakPolarHBondContact CG2-OD1 3.24Å; I15-N63 PolarHBondContact N-OD1 2.77Å; I15-A65 HydrophobicContact CD1-CB 4Å
16	K	95.3	Very high	95.2	Very high	85 Å²	85	51.4 Å²	51.4	37%	0.37	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-64.4	-23.5	175.4	-65.8	-171.1	175.7	-168.8	0	113.8	N14 Y18 T60	N14-K16 PolarHBondContact O-N 2.62Å; N14-K16 VanDerWaalsContact O-N 3.1Å; N14-K16 PolarHBondContact OD1-N 2.82Å; K16-Y18 VanDerWaalsContact C-N 3.28Å; K16-Y18 PolarHBondContact O-N 2.89Å; K16-T60 HydrophobicContact CD-CG2 4.18Å; K16-T60 VanDerWaalsContact CE-OG1 3.22Å; K16-T60 WeakPolarHBondContact CE-OG1 3.41Å; K16-T60 HydrophobicContact CG-CG2 3.57Å
17	D	93.8	Very high	94.3	Very high	109 Å²	109	56.4 Å²	56.4	58%	0.583	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-86.8	-0.7	-172.2	-52.9	-24.5	0	0	0	112.4	N14 I15	N14-D17 WeakPolarHBondContact CB-OD2 3.32Å; N14-D17 PolarHBondContact O-N 3.17Å; I15-D17 PolarHBondContact O-N 3.11Å
18	Y	93.4	Very high	93.6	Very high	105 Å²	105	61.5 Å²	61.5	41%	0.412	34%	0.342	S	S	.	.	S	Bend	trans	-142.8	143.1	-173.1	-61.8	-89.7	0	0	0	112.4	F13 K16 M20 P39	F13-Y18 HydrophobicContact CB-CD2 4.39Å; F13-Y18 HydrophobicContact CB-CE2 3.89Å; F13-Y18 AromaticContact CD2-CD2 3.43Å; F13-Y18 HydrophobicContact CD2-CD2 3.43Å; F13-Y18 VanDerWaalsContact CD2-CD2 3.43Å; F13-Y18 AromaticContact CD2-CE2 3.82Å; F13-Y18 HydrophobicContact CD2-CE2 3.82Å; F13-Y18 HydrophobicContact CD2-CG 4.31Å; F13-Y18 AromaticContact CE2-CD2 3.95Å; F13-Y18 HydrophobicContact CE2-CD2 3.95Å; F13-Y18 HydrophobicContact CE2-CG 4.43Å; F13-Y18 HydrophobicContact CG-CD2 4.15Å; F13-Y18 HydrophobicContact CG-CE2 4.08Å; K16-Y18 VanDerWaalsContact C-N 3.28Å; K16-Y18 PolarHBondContact O-N 2.89Å; Y18-M20 PolarHBondContact O-N 2.84Å; Y18-P39 WeakPolarHBondContact O-CD 3.47Å
19	Y	95.6	Very high	92.7	Very high	72 Å²	72	66.5 Å²	66.5	28%	0.282	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.8	164.5	-59.6	-68.4	0	0	0	110.4	R36 I37 D38 S84 G85	Y19-R36 VanDerWaalsContact CE1-CZ 3.46Å; Y19-I37 WeakPolarHBondContact CA-O 3.15Å; Y19-D38 HydrophobicContact CD1-CB 3.74Å; Y19-D38 HydrophobicContact CE1-CB 3.55Å; Y19-D38 WeakPolarHBondContact CE1-OD2 3.33Å; Y19-S84 WeakPolarHBondContact O-CA 3.28Å; Y19-G85 WeakPolarHBondContact CB-O 3.38Å; Y19-G85 PolarHBondContact O-N 2.61Å
20	M	96.4	Very high	92.2	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.015	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.4	175.4	-63.1	-58.5	-57.7	0	0	109.3	F13 I15 Y18 R36 I37 P39 A65	F13-M20 HydrophobicContact CE2-SD 4.3Å; F13-M20 HydrophobicContact CZ-SD 4.44Å; I15-M20 HydrophobicContact CD1-CE 4.48Å; I15-M20 HydrophobicContact CD1-CG 3.94Å; I15-M20 HydrophobicContact CD1-SD 4.23Å; I15-M20 HydrophobicContact CG1-CG 3.66Å; I15-M20 HydrophobicContact CG1-SD 3.8Å; Y18-M20 PolarHBondContact O-N 2.84Å; M20-R36 CarbonylContact O-C 3.56Å; M20-R36 WeakPolarHBondContact O-CA 3.31Å; M20-I37 HydrophobicContact CB-CG2 3.86Å; M20-I37 PolarHBondContact N-O 2.81Å; M20-I37 PolarHBondContact O-N 3.44Å; M20-P39 HydrophobicContact CG-CG 3.81Å; M20-A65 HydrophobicContact CB-CB 4.02Å; M20-A65 HydrophobicContact CE-CB 4.31Å; M20-A65 HydrophobicContact CG-CB 4.12Å
21	H	96.9	Very high	92.1	Very high	10 Å²	10	68.7 Å²	68.7	5%	0.046	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146.3	-179.4	-67.6	-109.8	0	0	0	110.6	W33 C82 E83 F88	H21-W33 AromaticContact CG-NE1 3.94Å; H21-W33 AromaticContact ND1-CD1 3.96Å; H21-W33 AromaticContact ND1-NE1 3.15Å; H21-W33 PolarHBondContact ND1-NE1 2.63Å; H21-W33 VanDerWaalsContact ND1-NE1 3.15Å; H21-C82 VanDerWaalsContact O-CA 3.26Å; H21-C82 WeakPolarHBondContact O-CA 3.36Å; H21-E83 PolarHBondContact N-O 3.37Å; H21-E83 PolarHBondContact O-N 2.91Å; H21-F88 AromaticContact CE1-CD2 3.76Å
22	W	97.8	Very high	92.2	Very high	6 Å²	6	65.5 Å²	65.5	2%	0.023	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.7	172	-73.1	92.7	0	0	0	110.3	L6 C8 I34 G35 A65 L67 Y81 C82	L6-W22 HydrophobicContact CB-CH2 3.99Å; L6-W22 HydrophobicContact CB-CZ3 4.01Å; L6-W22 HydrophobicContact CD1-CZ3 4.33Å; C8-W22 HydrophobicContact CB-CH2 3.73Å; C8-W22 HydrophobicContact CB-CZ2 3.81Å; W22-I34 HydrophobicContact CB-CB 4.09Å; W22-I34 HydrophobicContact CB-CD1 4.3Å; W22-I34 WeakPolarHBondContact O-CB 3.16Å; W22-I34 PolarHBondContact O-N 3.43Å; W22-G35 PolarHBondContact N-O 2.85Å; W22-A65 HydrophobicContact CZ2-CB 4.36Å; W22-L67 HydrophobicContact CB-CD2 4.16Å; W22-L67 HydrophobicContact CD2-CB 3.49Å; W22-L67 VanDerWaalsContact CD2-CB 3.49Å; W22-L67 HydrophobicContact CD2-CD2 3.88Å; W22-L67 HydrophobicContact CD2-CG 4.25Å; W22-L67 HydrophobicContact CE3-CB 3.69Å; W22-L67 HydrophobicContact CE3-CD2 3.64Å; W22-L67 HydrophobicContact CE3-CG 4.31Å; W22-L67 HydrophobicContact CG-CB 4.04Å; W22-L67 HydrophobicContact CG-CD2 4.11Å; W22-L67 HydrophobicContact CH2-CB 3.92Å; W22-L67 HydrophobicContact CZ2-CB 3.74Å; W22-L67 HydrophobicContact CZ3-CB 3.89Å; W22-L67 HydrophobicContact CZ3-CD2 4.3Å; W22-Y81 WeakPolarHBondContact CA-O 3.49Å; W22-C82 HydrophobicContact CD2-CB 4.23Å; W22-C82 HydrophobicContact CE3-CB 4.04Å; W22-C82 HydrophobicContact CH2-CB 4.07Å; W22-C82 HydrophobicContact CZ2-CB 4.22Å; W22-C82 HydrophobicContact CZ3-CB 3.96Å
23	V	96.5	Very high	92.3	Very high	19 Å²	19	65.5 Å²	65.5	12%	0.115	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.4	-176.2	-174.1	0	0	0	0	109.3	L31 E32 Y80 Y81	V23-L31 HydrophobicContact CG1-CB 3.86Å; V23-L31 HydrophobicContact CG1-CD2 3.74Å; V23-L31 HydrophobicContact CG1-CG 4.33Å; V23-E32 WeakPolarHBondContact CA-O 2.95Å; V23-Y80 WeakPolarHBondContact O-CA 3.5Å; V23-Y81 PolarHBondContact N-O 3.16Å; V23-Y81 PolarHBondContact O-N 3.03Å
24	K	95.3	Very high	92.5	Very high	1 Å²	1	62.7 Å²	62.7	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.2	172.8	-176.9	-176.5	-176.2	176.9	0	108.8	E32 I34 F50 E75 D76 A78 Y80	K24-E32 HydrophobicContact CB-CB 4.36Å; K24-E32 PolarHBondContact N-O 3.5Å; K24-E32 PolarHBondContact O-N 3.19Å; K24-I34 HydrophobicContact CB-CD1 4.03Å; K24-I34 HydrophobicContact CB-CG1 4.14Å; K24-F50 HydrophobicContact CB-CZ 4.47Å; K24-F50 HydrophobicContact CD-CE1 4.1Å; K24-F50 HydrophobicContact CD-CZ 4.03Å; K24-E75 PolarHBondContact NZ-O 3.17Å; K24-D76 IonicContact NZ-OD1 3.76Å; K24-A78 HydrophobicContact CD-CB 4.15Å; K24-A78 VanDerWaalsContact CE-CB 3.48Å; K24-A78 HydrophobicContact CG-CB 3.52Å; K24-Y80 HydrophobicContact CB-CD1 4.23Å; K24-Y80 HydrophobicContact CB-CE1 3.97Å; K24-Y80 HydrophobicContact CD-CE1 4.09Å; K24-Y80 WeakPolarHBondContact CE-OH 3.47Å; K24-Y80 HydrophobicContact CG-CD1 4.34Å; K24-Y80 HydrophobicContact CG-CE1 3.78Å
25	Q	94.5	Very high	92.7	Very high	71 Å²	71	59.4 Å²	59.4	33%	0.332	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.1	172.7	-165.7	-179.2	36.8	0	0	110.6	G30 L31 A78 V79 Y81	Q25-G30 WeakPolarHBondContact CA-O 3.46Å; Q25-L31 HydrophobicContact CB-CD2 3.67Å; Q25-L31 HydrophobicContact CG-CD2 3.68Å; Q25-L31 HydrophobicContact CG-CG 4.46Å; Q25-A78 WeakPolarHBondContact O-CB 3.45Å; Q25-V79 HydrophobicContact CB-CB 4.45Å; Q25-V79 PolarHBondContact N-O 2.83Å; Q25-V79 PolarHBondContact O-N 3.23Å; Q25-Y81 HydrophobicContact CB-CD2 4.11Å; Q25-Y81 HydrophobicContact CB-CE2 3.66Å; Q25-Y81 HydrophobicContact CG-CE2 4.45Å; Q25-Y81 VanDerWaalsContact OE1-CE2 3.27Å; Q25-Y81 PolarHBondContact OE1-OH 3.4Å
26	R	90.2	Very high	92.8	Very high	34 Å²	34	60.7 Å²	60.7	13%	0.128	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.4	169.1	-73.3	178.4	174	169.5	5.9	108.6	E28 Q29 G30 E32 E75 A78	R26-E28 PolarHBondContact O-N 3.17Å; R26-Q29 HydrophobicContact CB-CB 4.01Å; R26-Q29 PolarHBondContact O-N 2.95Å; R26-Q29 VanDerWaalsContact O-N 3.11Å; R26-G30 PolarHBondContact N-O 3.15Å; R26-G30 PolarHBondContact O-N 2.67Å; R26-E32 IonicContact CZ-OE2 2.76Å; R26-E32 IonicContact NE-OE2 3.74Å; R26-E32 IonicContact NH1-OE2 3.71Å; R26-E75 VanDerWaalsContact CZ-O 3.22Å; R26-E75 PolarHBondContact NE-O 2.88Å; R26-E75 VanDerWaalsContact NE-O 3.14Å; R26-E75 PolarHBondContact NH2-O 3.02Å; R26-E75 IonicContact NH2-OE2 2.97Å; R26-A78 HydrophobicContact CG-CB 3.96Å
27	T	80.2	Confident	92.9	Very high	153 Å²	153	57.1 Å²	57.1	94%	0.939	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.5	-177.3	-39.6	0	0	0	0	113.1
28	E	82.3	Confident	93	Very high	184 Å²	184	52.6 Å²	52.6	86%	0.86	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-15.5	-177.3	-60.8	-179.6	179.2	0	0	114.7	R26	R26-E28 PolarHBondContact O-N 3.17Å
29	Q	79.3	Confident	93.2	Very high	118 Å²	118	48 Å²	48	55%	0.551	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.2	0.6	-168.9	-71.9	168.4	-3.8	0	0	113.6	R26	R26-Q29 HydrophobicContact CB-CB 4.01Å; R26-Q29 PolarHBondContact O-N 2.95Å; R26-Q29 VanDerWaalsContact O-N 3.11Å
30	G	87.1	Confident	93.2	Very high	35 Å²	35	51.7 Å²	51.7	36%	0.361	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.4	-155.1	177.3	0	0	0	0	0	113.1	Q25 R26	Q25-G30 WeakPolarHBondContact CA-O 3.46Å; R26-G30 PolarHBondContact N-O 3.15Å; R26-G30 PolarHBondContact O-N 2.67Å
31	L	92.3	Very high	93.1	Very high	117 Å²	117	56.9 Å²	56.9	61%	0.613	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.2	-179.3	-66	170.3	0	0	0	110.2	V23 Q25	V23-L31 HydrophobicContact CG1-CB 3.86Å; V23-L31 HydrophobicContact CG1-CD2 3.74Å; V23-L31 HydrophobicContact CG1-CG 4.33Å; Q25-L31 HydrophobicContact CB-CD2 3.67Å; Q25-L31 HydrophobicContact CG-CD2 3.68Å; Q25-L31 HydrophobicContact CG-CG 4.46Å
32	E	94.3	Very high	93.1	Very high	36 Å²	36	58.4 Å²	58.4	17%	0.168	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.5	173.7	-55.9	-171	82.8	0	0	109.1	V23 K24 R26 I34 K49 F50	V23-E32 WeakPolarHBondContact CA-O 2.95Å; K24-E32 HydrophobicContact CB-CB 4.36Å; K24-E32 PolarHBondContact N-O 3.5Å; K24-E32 PolarHBondContact O-N 3.19Å; R26-E32 IonicContact CZ-OE2 2.76Å; R26-E32 IonicContact NE-OE2 3.74Å; R26-E32 IonicContact NH1-OE2 3.71Å; E32-I34 PolarHBondContact O-N 2.58Å; E32-K49 IonicContact OE1-NZ 2.62Å; E32-K49 PolarHBondContact OE1-NZ 3.27Å; E32-K49 IonicContact OE2-NZ 3.35Å; E32-K49 PolarHBondContact OE2-NZ 2.97Å; E32-F50 HydrophobicContact CB-CE2 4.33Å; E32-F50 HydrophobicContact CB-CZ 4.32Å
33	W	95.5	Very high	93	Very high	90 Å²	90	61.6 Å²	61.6	34%	0.341	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.2	174.3	-177.7	74.5	0	0	0	110.3	H21 G35 R36 K45 A47	H21-W33 AromaticContact CG-NE1 3.94Å; H21-W33 AromaticContact ND1-CD1 3.96Å; H21-W33 AromaticContact ND1-NE1 3.15Å; H21-W33 PolarHBondContact ND1-NE1 2.63Å; H21-W33 VanDerWaalsContact ND1-NE1 3.15Å; W33-G35 VanDerWaalsContact CE2-C 3.42Å; W33-G35 PolarHBondContact NE1-O 2.83Å; W33-R36 HydrophobicContact CZ2-CB 3.96Å; W33-R36 HydrophobicContact CZ2-CG 4.01Å; W33-R36 VanDerWaalsContact CZ2-N 3.34Å; W33-K45 HydrophobicContact CH2-CB 4Å; W33-A47 HydrophobicContact CE3-CB 3.87Å; W33-A47 HydrophobicContact CZ3-CB 4.19Å; W33-A47 WeakPolarHBondContact O-CB 2.96Å
34	I	96.9	Very high	93.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-48.1	-179	-61.4	175.4	0	0	0	110	W22 K24 E32 Y46 A47 F50 A54 L67 Y80	W22-I34 HydrophobicContact CB-CB 4.09Å; W22-I34 HydrophobicContact CB-CD1 4.3Å; W22-I34 WeakPolarHBondContact O-CB 3.16Å; W22-I34 PolarHBondContact O-N 3.43Å; K24-I34 HydrophobicContact CB-CD1 4.03Å; K24-I34 HydrophobicContact CB-CG1 4.14Å; E32-I34 PolarHBondContact O-N 2.58Å; I34-Y46 WeakPolarHBondContact O-CA 3.26Å; I34-A47 PolarHBondContact O-N 2.76Å; I34-F50 HydrophobicContact CB-CD2 4.29Å; I34-F50 HydrophobicContact CB-CG 4.27Å; I34-F50 HydrophobicContact CG1-CD1 4.18Å; I34-F50 HydrophobicContact CG1-CD2 4.27Å; I34-F50 HydrophobicContact CG1-CE1 4.01Å; I34-F50 HydrophobicContact CG1-CE2 4.09Å; I34-F50 HydrophobicContact CG1-CG 4.3Å; I34-F50 HydrophobicContact CG1-CZ 3.96Å; I34-F50 HydrophobicContact CG2-CB 3.91Å; I34-F50 HydrophobicContact CG2-CD1 4.11Å; I34-F50 HydrophobicContact CG2-CD2 4.36Å; I34-F50 HydrophobicContact CG2-CG 3.87Å; I34-A54 HydrophobicContact CG2-CB 3.76Å; I34-L67 HydrophobicContact CD1-CD2 3.63Å; I34-L67 HydrophobicContact CG2-CD1 4.2Å; I34-Y80 HydrophobicContact CD1-CD1 3.73Å; I34-Y80 HydrophobicContact CD1-CE1 3.8Å
35	G	97.3	Very high	93.2	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	176.7	-173	0	0	0	0	0	112.6	W22 W33 K45	W22-G35 PolarHBondContact N-O 2.85Å; W33-G35 VanDerWaalsContact CE2-C 3.42Å; W33-G35 PolarHBondContact NE1-O 2.83Å; G35-K45 CarbonylContact C-O 3.6Å; G35-K45 WeakPolarHBondContact CA-O 3.36Å
36	R	97.3	Very high	93.3	Very high	27 Å²	27	67.6 Å²	67.6	10%	0.102	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.2	170.6	71.4	168.1	179.3	73.3	-8.6	111.3	Y19 M20 W33 E43 T44 K45	Y19-R36 VanDerWaalsContact CE1-CZ 3.46Å; M20-R36 CarbonylContact O-C 3.56Å; M20-R36 WeakPolarHBondContact O-CA 3.31Å; W33-R36 HydrophobicContact CZ2-CB 3.96Å; W33-R36 HydrophobicContact CZ2-CG 4.01Å; W33-R36 VanDerWaalsContact CZ2-N 3.34Å; R36-E43 IonicContact CZ-OE2 3.52Å; R36-E43 IonicContact NH1-OE2 2.58Å; R36-E43 PolarHBondContact NH1-OE2 3.03Å; R36-E43 IonicContact NH2-OE2 3.96Å; R36-E43 PolarHBondContact NH2-OE2 3.31Å; R36-T44 WeakPolarHBondContact O-CA 3.2Å; R36-K45 HydrophobicContact CG-CB 4.2Å; R36-K45 PolarHBondContact N-O 2.91Å; R36-K45 PolarHBondContact O-N 3.29Å
37	I	97.8	Very high	93.6	Very high	9 Å²	9	66.8 Å²	66.8	5%	0.046	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.8	162.9	-174.3	164	0	0	0	109.6	Y19 M20 P39 E43 T44 I56 A58	Y19-I37 WeakPolarHBondContact CA-O 3.15Å; M20-I37 HydrophobicContact CB-CG2 3.86Å; M20-I37 PolarHBondContact N-O 2.81Å; M20-I37 PolarHBondContact O-N 3.44Å; I37-P39 HydrophobicContact CG2-CG 4.41Å; I37-P39 WeakPolarHBondContact O-CD 3.41Å; I37-E43 CarbonylContact C-O 3.57Å; I37-E43 VanDerWaalsContact CA-O 3.3Å; I37-E43 WeakPolarHBondContact CA-O 3.46Å; I37-T44 HydrophobicContact CB-CG2 3.93Å; I37-T44 HydrophobicContact CD1-CG2 3.92Å; I37-T44 HydrophobicContact CG1-CG2 3.79Å; I37-I56 HydrophobicContact CB-CG2 3.63Å; I37-I56 HydrophobicContact CG2-CG2 3.5Å; I37-A58 HydrophobicContact CD1-CB 4.05Å; I37-A58 HydrophobicContact CG2-CB 4.36Å
38	D	97	Very high	94.3	Very high	14 Å²	14	65 Å²	65	8%	0.075	34%	0.341	C	S	.	.			trans	-85.7	110	157.7	-164.9	-31.6	0	0	0	108.9	Y19 E40 D41 G42 E43	Y19-D38 HydrophobicContact CD1-CB 3.74Å; Y19-D38 HydrophobicContact CE1-CB 3.55Å; Y19-D38 WeakPolarHBondContact CE1-OD2 3.33Å; D38-E40 PolarHBondContact O-N 2.81Å; D38-E40 VanDerWaalsContact OD1-CB 3.26Å; D38-E40 WeakPolarHBondContact OD1-CB 3.39Å; D38-E40 PolarHBondContact OD1-N 3.05Å; D38-D41 WeakPolarHBondContact CB-OD1 2.94Å; D38-G42 WeakPolarHBondContact O-CA 3.47Å; D38-G42 PolarHBondContact O-N 2.01Å; D38-E43 HydrophobicContact CB-CB 4.03Å; D38-E43 PolarHBondContact N-O 3.01Å
39	P	96.7	Very high	94.8	Very high	9 Å²	9	61.4 Å²	61.4	6%	0.058	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.8	-179.6	-19.8	37.3	0	0	0	113.4	I15 Y18 M20 I37 A58 T60	I15-P39 HydrophobicContact CG1-CB 4.4Å; I15-P39 HydrophobicContact CG1-CG 4.03Å; I15-P39 HydrophobicContact CG2-CB 4.19Å; I15-P39 WeakPolarHBondContact O-CB 3.45Å; I15-P39 WeakPolarHBondContact O-CG 3.45Å; Y18-P39 WeakPolarHBondContact O-CD 3.47Å; M20-P39 HydrophobicContact CG-CG 3.81Å; I37-P39 HydrophobicContact CG2-CG 4.41Å; I37-P39 WeakPolarHBondContact O-CD 3.41Å; P39-A58 HydrophobicContact CB-CB 3.82Å; P39-A58 HydrophobicContact CG-CB 4.12Å; P39-T60 HydrophobicContact CB-CG2 4.13Å; P39-T60 VanDerWaalsContact O-CG2 3.28Å; P39-T60 WeakPolarHBondContact O-CG2 3.49Å
40	E	95.5	Very high	95.5	Very high	149 Å²	149	56 Å²	56	70%	0.696	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-50.6	176.6	-173.8	175.4	-158.9	0	0	111.4	D38	D38-E40 PolarHBondContact O-N 2.81Å; D38-E40 VanDerWaalsContact OD1-CB 3.26Å; D38-E40 WeakPolarHBondContact OD1-CB 3.39Å; D38-E40 PolarHBondContact OD1-N 3.05Å
41	D	95.4	Very high	95.9	Very high	113 Å²	113	61.2 Å²	61.2	60%	0.604	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-7.6	-173.8	70.4	5.1	0	0	0	114.5	D38 E43	D38-D41 WeakPolarHBondContact CB-OD1 2.94Å; D41-E43 VanDerWaalsContact OD1-CB 3.27Å; D41-E43 WeakPolarHBondContact OD1-CB 3.32Å; D41-E43 PolarHBondContact OD1-N 2.98Å
42	G	95.8	Very high	95.8	Very high	42 Å²	42	59.3 Å²	59.3	43%	0.433	32%	0.32	S	S	.	.			trans	83	9.6	180	0	0	0	0	0	114.6	D38 T44	D38-G42 WeakPolarHBondContact O-CA 3.47Å; D38-G42 PolarHBondContact O-N 2.01Å; G42-T44 PolarHBondContact O-N 2.88Å
43	E	96.6	Very high	95.9	Very high	73 Å²	73	59.8 Å²	59.8	34%	0.341	32%	0.322	S	S	.	.			trans	-58.7	127.8	176.5	-167.9	-145.7	-173.3	0	0	110.1	R36 I37 D38 D41 K45	R36-E43 IonicContact CZ-OE2 3.52Å; R36-E43 IonicContact NH1-OE2 2.58Å; R36-E43 PolarHBondContact NH1-OE2 3.03Å; R36-E43 IonicContact NH2-OE2 3.96Å; R36-E43 PolarHBondContact NH2-OE2 3.31Å; I37-E43 CarbonylContact C-O 3.57Å; I37-E43 VanDerWaalsContact CA-O 3.3Å; I37-E43 WeakPolarHBondContact CA-O 3.46Å; D38-E43 HydrophobicContact CB-CB 4.03Å; D38-E43 PolarHBondContact N-O 3.01Å; D41-E43 VanDerWaalsContact OD1-CB 3.27Å; D41-E43 WeakPolarHBondContact OD1-CB 3.32Å; D41-E43 PolarHBondContact OD1-N 2.98Å; E43-K45 WeakPolarHBondContact OE1-CE 3Å; E43-K45 IonicContact OE1-NZ 3.81Å
44	T	97.5	Very high	96	Very high	54 Å²	54	55.7 Å²	55.7	33%	0.331	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.7	175.8	51.7	0	0	0	0	111.7	R36 I37 G42 Y46 I56	R36-T44 WeakPolarHBondContact O-CA 3.2Å; I37-T44 HydrophobicContact CB-CG2 3.93Å; I37-T44 HydrophobicContact CD1-CG2 3.92Å; I37-T44 HydrophobicContact CG1-CG2 3.79Å; G42-T44 PolarHBondContact O-N 2.88Å; T44-Y46 WeakPolarHBondContact OG1-CE2 3.28Å; T44-I56 HydrophobicContact CG2-CB 4.49Å
45	K	96.9	Very high	96	Very high	101 Å²	101	58.9 Å²	58.9	44%	0.439	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.3	169	-66	-172.8	-178	173.8	0	109.4	W33 G35 R36 E43	W33-K45 HydrophobicContact CH2-CB 4Å; G35-K45 CarbonylContact C-O 3.6Å; G35-K45 WeakPolarHBondContact CA-O 3.36Å; R36-K45 HydrophobicContact CG-CB 4.2Å; R36-K45 PolarHBondContact N-O 2.91Å; R36-K45 PolarHBondContact O-N 3.29Å; E43-K45 WeakPolarHBondContact OE1-CE 3Å; E43-K45 IonicContact OE1-NZ 3.81Å
46	Y	97.7	Very high	96.1	Very high	62 Å²	62	59.1 Å²	59.1	24%	0.243	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.1	-178.2	-61	-88.9	0	0	0	110.1	I34 T44 A54 I56	I34-Y46 WeakPolarHBondContact O-CA 3.26Å; T44-Y46 WeakPolarHBondContact OG1-CE2 3.28Å; Y46-A54 HydrophobicContact CD1-CB 4.31Å; Y46-A54 HydrophobicContact CE1-CB 4.27Å; Y46-A54 WeakPolarHBondContact CE1-O 3.46Å; Y46-I56 HydrophobicContact CD1-CD1 4.18Å; Y46-I56 HydrophobicContact CE1-CB 4.35Å; Y46-I56 HydrophobicContact CE1-CD1 3.79Å; Y46-I56 HydrophobicContact CE1-CG1 3.85Å; Y46-I56 PolarHBondContact OH-N 3.49Å; Y46-I56 VanDerWaalsContact OH-N 3.11Å
47	A	96.4	Very high	96.1	Very high	17 Å²	17	60.7 Å²	60.7	14%	0.14	34%	0.341	C	S	.	.			trans	-68	142	161.6	0	0	0	0	0	109.5	W33 I34 K49 F50 Q51	W33-A47 HydrophobicContact CE3-CB 3.87Å; W33-A47 HydrophobicContact CZ3-CB 4.19Å; W33-A47 WeakPolarHBondContact O-CB 2.96Å; I34-A47 PolarHBondContact O-N 2.76Å; A47-K49 PolarHBondContact O-N 2.9Å; A47-F50 HydrophobicContact CB-CD2 4Å; A47-F50 PolarHBondContact O-N 2.97Å; A47-Q51 PolarHBondContact O-N 2.84Å
48	P	95.5	Very high	96.1	Very high	115 Å²	115	61.8 Å²	61.8	75%	0.747	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-52.5	-34.4	-176.7	-29.8	35.3	0	0	0	114.3	F50 Q51	P48-F50 PolarHBondContact O-N 2.83Å; P48-Q51 PolarHBondContact O-N 3.03Å
49	K	92.4	Very high	96.1	Very high	109 Å²	109	63.8 Å²	63.8	47%	0.474	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-63.1	-27.4	178.5	-176.3	176.3	177.4	-178	0	113.8	E32 A47	E32-K49 IonicContact OE1-NZ 2.62Å; E32-K49 PolarHBondContact OE1-NZ 3.27Å; E32-K49 IonicContact OE2-NZ 3.35Å; E32-K49 PolarHBondContact OE2-NZ 2.97Å; A47-K49 PolarHBondContact O-N 2.9Å
50	F	94.3	Very high	96.1	Very high	5 Å²	5	65.9 Å²	65.9	2%	0.022	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-106.4	-4.3	-174.9	-62.2	-83.1	0	0	0	113	K24 E32 I34 A47 P48 G52 K53 A54	K24-F50 HydrophobicContact CB-CZ 4.47Å; K24-F50 HydrophobicContact CD-CE1 4.1Å; K24-F50 HydrophobicContact CD-CZ 4.03Å; E32-F50 HydrophobicContact CB-CE2 4.33Å; E32-F50 HydrophobicContact CB-CZ 4.32Å; I34-F50 HydrophobicContact CB-CD2 4.29Å; I34-F50 HydrophobicContact CB-CG 4.27Å; I34-F50 HydrophobicContact CG1-CD1 4.18Å; I34-F50 HydrophobicContact CG1-CD2 4.27Å; I34-F50 HydrophobicContact CG1-CE1 4.01Å; I34-F50 HydrophobicContact CG1-CE2 4.09Å; I34-F50 HydrophobicContact CG1-CG 4.3Å; I34-F50 HydrophobicContact CG1-CZ 3.96Å; I34-F50 HydrophobicContact CG2-CB 3.91Å; I34-F50 HydrophobicContact CG2-CD1 4.11Å; I34-F50 HydrophobicContact CG2-CD2 4.36Å; I34-F50 HydrophobicContact CG2-CG 3.87Å; A47-F50 HydrophobicContact CB-CD2 4Å; A47-F50 PolarHBondContact O-N 2.97Å; P48-F50 PolarHBondContact O-N 2.83Å; F50-G52 PolarHBondContact O-N 3.43Å; F50-K53 PolarHBondContact O-N 3.34Å; F50-A54 HydrophobicContact CB-CB 4.09Å; F50-A54 PolarHBondContact O-N 2.93Å
51	Q	94	Very high	96.1	Very high	144 Å²	144	64 Å²	64	67%	0.673	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	128.1	177.3	-164.6	167.2	-1.6	0	0	110.4	A47 P48 K53	A47-Q51 PolarHBondContact O-N 2.84Å; P48-Q51 PolarHBondContact O-N 3.03Å; Q51-K53 PolarHBondContact O-N 3.24Å
52	G	92.1	Very high	96.2	Very high	77 Å²	77	61.1 Å²	61.1	79%	0.794	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-13.2	-175.5	0	0	0	0	0	115.2	F50	F50-G52 PolarHBondContact O-N 3.43Å
53	K	94.8	Very high	96.3	Very high	45 Å²	45	60.9 Å²	60.9	20%	0.196	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-40.2	174.9	-166.5	174.6	-168.8	171.4	0	112.5	F50 Q51 S70 D76	F50-K53 PolarHBondContact O-N 3.34Å; Q51-K53 PolarHBondContact O-N 3.24Å; K53-S70 VanDerWaalsContact CG-O 3.32Å; K53-S70 WeakPolarHBondContact CG-O 3.33Å; K53-S70 PolarHBondContact O-N 3Å; K53-S70 PolarHBondContact O-OG 3.44Å; K53-D76 WeakPolarHBondContact CE-OD1 3.39Å; K53-D76 WeakPolarHBondContact CE-OD2 3.38Å; K53-D76 IonicContact NZ-OD1 2.83Å; K53-D76 PolarHBondContact NZ-OD1 2.82Å; K53-D76 IonicContact NZ-OD2 3.37Å; K53-D76 PolarHBondContact NZ-OD2 2.86Å
54	A	97.3	Very high	96.3	Very high	5 Å²	5	57.9 Å²	57.9	4%	0.041	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139.4	180	0	0	0	0	0	111.4	I34 Y46 F50 L67 Q68 L69	I34-A54 HydrophobicContact CG2-CB 3.76Å; Y46-A54 HydrophobicContact CD1-CB 4.31Å; Y46-A54 HydrophobicContact CE1-CB 4.27Å; Y46-A54 WeakPolarHBondContact CE1-O 3.46Å; F50-A54 HydrophobicContact CB-CB 4.09Å; F50-A54 PolarHBondContact O-N 2.93Å; A54-L67 HydrophobicContact CB-CD1 3.84Å; A54-Q68 CarbonylContact C-O 3.57Å; A54-Q68 WeakPolarHBondContact CA-O 3.44Å; A54-L69 HydrophobicContact CB-CD2 3.85Å
55	T	98.2	Very high	96.4	Very high	67 Å²	67	55.3 Å²	55.3	41%	0.411	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119	167.3	-56.3	0	0	0	0	107.7	T57 Q68	T55-T57 HydrophobicContact CG2-CG2 4.23Å; T55-Q68 PolarHBondContact N-O 2.91Å; T55-Q68 PolarHBondContact O-N 3.31Å
56	I	98.3	Very high	96.4	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.1	177.4	-58.7	165.7	0	0	0	108.4	I37 T44 Y46 Y66 L67	I37-I56 HydrophobicContact CB-CG2 3.63Å; I37-I56 HydrophobicContact CG2-CG2 3.5Å; T44-I56 HydrophobicContact CG2-CB 4.49Å; Y46-I56 HydrophobicContact CD1-CD1 4.18Å; Y46-I56 HydrophobicContact CE1-CB 4.35Å; Y46-I56 HydrophobicContact CE1-CD1 3.79Å; Y46-I56 HydrophobicContact CE1-CG1 3.85Å; Y46-I56 PolarHBondContact OH-N 3.49Å; Y46-I56 VanDerWaalsContact OH-N 3.11Å; I56-Y66 WeakPolarHBondContact CA-O 3.07Å; I56-L67 HydrophobicContact CG1-CD1 3.89Å
57	T	98.2	Very high	96.5	Very high	60 Å²	60	49.9 Å²	49.9	37%	0.368	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	164.9	174.5	63.9	0	0	0	0	110.9	T55 A65 Y66	T55-T57 HydrophobicContact CG2-CG2 4.23Å; T57-A65 CarbonylContact O-C 3.59Å; T57-Y66 PolarHBondContact N-O 2.83Å; T57-Y66 PolarHBondContact O-N 2.99Å
58	A	97.8	Very high	96.6	Very high	31 Å²	31	53.3 Å²	53.3	26%	0.256	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.9	173.4	0	0	0	0	0	110	I37 P39 T64	I37-A58 HydrophobicContact CD1-CB 4.05Å; I37-A58 HydrophobicContact CG2-CB 4.36Å; P39-A58 HydrophobicContact CB-CB 3.82Å; P39-A58 HydrophobicContact CG-CB 4.12Å; A58-T64 WeakPolarHBondContact CA-O 3.45Å
59	D	97.4	Very high	96.7	Very high	57 Å²	57	47.9 Å²	47.9	31%	0.305	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.9	168.6	176.2	6.2	0	0	0	108.3	S61 S62 N63 T64 Y66	D59-S61 VanDerWaalsContact C-N 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 3.43Å; D59-S61 PolarHBondContact OD1-N 2.77Å; D59-S61 PolarHBondContact OD1-OG 3.48Å; D59-S61 PolarHBondContact OD2-OG 3.43Å; D59-S62 WeakPolarHBondContact CB-OG 3.37Å; D59-S62 PolarHBondContact OD1-N 2.91Å; D59-S62 WeakPolarHBondContact OD2-CB 3.09Å; D59-S62 PolarHBondContact OD2-OG 3.04Å; D59-N63 PolarHBondContact O-N 2.97Å; D59-T64 PolarHBondContact N-O 2.92Å; D59-T64 PolarHBondContact O-N 2.9Å; D59-Y66 HydrophobicContact CB-CE2 3.95Å
60	T	96.2	Very high	96.8	Very high	53 Å²	53	44.2 Å²	44.2	33%	0.325	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-16.6	-176.6	61.3	0	0	0	0	112.7	I15 K16 P39	I15-T60 HydrophobicContact CG2-CG2 4.16Å; K16-T60 HydrophobicContact CD-CG2 4.18Å; K16-T60 VanDerWaalsContact CE-OG1 3.22Å; K16-T60 WeakPolarHBondContact CE-OG1 3.41Å; K16-T60 HydrophobicContact CG-CG2 3.57Å; P39-T60 HydrophobicContact CB-CG2 4.13Å; P39-T60 VanDerWaalsContact O-CG2 3.28Å; P39-T60 WeakPolarHBondContact O-CG2 3.49Å
61	S	96	Very high	96.8	Very high	110 Å²	110	47.5 Å²	47.5	77%	0.769	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-35.8	174.4	73.2	0	0	0	0	111.9	D59	D59-S61 VanDerWaalsContact C-N 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 3.43Å; D59-S61 PolarHBondContact OD1-N 2.77Å; D59-S61 PolarHBondContact OD1-OG 3.48Å; D59-S61 PolarHBondContact OD2-OG 3.43Å
62	S	97.3	Very high	96.7	Very high	51 Å²	51	42.9 Å²	42.9	36%	0.357	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	6.7	176.1	65.6	0	0	0	0	113.6	D59 T64	D59-S62 WeakPolarHBondContact CB-OG 3.37Å; D59-S62 PolarHBondContact OD1-N 2.91Å; D59-S62 WeakPolarHBondContact OD2-CB 3.09Å; D59-S62 PolarHBondContact OD2-OG 3.04Å; S62-T64 PolarHBondContact O-N 2.97Å; S62-T64 PolarHBondContact O-OG1 2.8Å
63	N	97	Very high	96.8	Very high	37 Å²	37	42.7 Å²	42.7	20%	0.198	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	40.6	179.9	-151	47.9	0	0	0	112.9	A10 F13 I15 D59	A10-N63 WeakPolarHBondContact CB-ND2 3.43Å; A10-N63 WeakPolarHBondContact CB-O 3.43Å; A10-N63 PolarHBondContact N-O 2.8Å; A10-N63 PolarHBondContact O-ND2 3.05Å; F13-N63 PolarHBondContact O-ND2 3.35Å; I15-N63 WeakPolarHBondContact CB-OD1 3.38Å; I15-N63 WeakPolarHBondContact CG2-OD1 3.24Å; I15-N63 PolarHBondContact N-OD1 2.77Å; D59-N63 PolarHBondContact O-N 2.97Å
64	T	98.1	Very high	96.5	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.6	-169.3	-61.7	0	0	0	0	112	C8 P9 A58 D59 S62 Y66	C8-T64 WeakPolarHBondContact O-CA 3.5Å; P9-T64 HydrophobicContact CG-CG2 4.4Å; A58-T64 WeakPolarHBondContact CA-O 3.45Å; D59-T64 PolarHBondContact N-O 2.92Å; D59-T64 PolarHBondContact O-N 2.9Å; S62-T64 PolarHBondContact O-N 2.97Å; S62-T64 PolarHBondContact O-OG1 2.8Å; T64-Y66 HydrophobicContact CG2-CD1 4.26Å; T64-Y66 HydrophobicContact CG2-CD2 4.49Å; T64-Y66 HydrophobicContact CG2-CE1 3.62Å; T64-Y66 HydrophobicContact CG2-CE2 3.88Å; T64-Y66 WeakPolarHBondContact CG2-OH 3.35Å
65	A	98.1	Very high	96.1	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	152.7	169.3	0	0	0	0	0	111.1	S7 C8 I15 M20 W22 T57	S7-A65 CarbonylContact C-O 3.56Å; C8-A65 HydrophobicContact CB-CB 4.38Å; C8-A65 PolarHBondContact N-O 3.03Å; C8-A65 PolarHBondContact O-N 2.76Å; I15-A65 HydrophobicContact CD1-CB 4Å; M20-A65 HydrophobicContact CB-CB 4.02Å; M20-A65 HydrophobicContact CE-CB 4.31Å; M20-A65 HydrophobicContact CG-CB 4.12Å; W22-A65 HydrophobicContact CZ2-CB 4.36Å; T57-A65 CarbonylContact O-C 3.59Å
66	Y	98.5	Very high	95.7	Very high	49 Å²	49	48.5 Å²	48.5	19%	0.192	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145	178.9	-56.6	-82.6	0	0	0	111.6	K5 L6 I56 T57 D59 T64	K5-Y66 HydrophobicContact CD-CD1 4.47Å; K5-Y66 VanDerWaalsContact CE-CG 3.48Å; K5-Y66 HydrophobicContact CG-CD1 4.48Å; L6-Y66 VanDerWaalsContact O-CA 3.24Å; L6-Y66 WeakPolarHBondContact O-CA 3.21Å; I56-Y66 WeakPolarHBondContact CA-O 3.07Å; T57-Y66 PolarHBondContact N-O 2.83Å; T57-Y66 PolarHBondContact O-N 2.99Å; D59-Y66 HydrophobicContact CB-CE2 3.95Å; T64-Y66 HydrophobicContact CG2-CD1 4.26Å; T64-Y66 HydrophobicContact CG2-CD2 4.49Å; T64-Y66 HydrophobicContact CG2-CE1 3.62Å; T64-Y66 HydrophobicContact CG2-CE2 3.88Å; T64-Y66 WeakPolarHBondContact CG2-OH 3.35Å
67	L	98.5	Very high	95.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.5	168.7	169.4	64.8	0	0	0	108.5	K5 L6 W22 I34 A54 I56 L69 Y80	K5-L67 CarbonylContact C-O 3.38Å; K5-L67 WeakPolarHBondContact CA-O 3.26Å; L6-L67 HydrophobicContact CB-CB 4.47Å; L6-L67 HydrophobicContact CD1-CD2 4.29Å; L6-L67 PolarHBondContact N-O 2.84Å; L6-L67 PolarHBondContact O-N 3.11Å; W22-L67 HydrophobicContact CB-CD2 4.16Å; W22-L67 HydrophobicContact CD2-CB 3.49Å; W22-L67 VanDerWaalsContact CD2-CB 3.49Å; W22-L67 HydrophobicContact CD2-CD2 3.88Å; W22-L67 HydrophobicContact CD2-CG 4.25Å; W22-L67 HydrophobicContact CE3-CB 3.69Å; W22-L67 HydrophobicContact CE3-CD2 3.64Å; W22-L67 HydrophobicContact CE3-CG 4.31Å; W22-L67 HydrophobicContact CG-CB 4.04Å; W22-L67 HydrophobicContact CG-CD2 4.11Å; W22-L67 HydrophobicContact CH2-CB 3.92Å; W22-L67 HydrophobicContact CZ2-CB 3.74Å; W22-L67 HydrophobicContact CZ3-CB 3.89Å; W22-L67 HydrophobicContact CZ3-CD2 4.3Å; I34-L67 HydrophobicContact CD1-CD2 3.63Å; I34-L67 HydrophobicContact CG2-CD1 4.2Å; A54-L67 HydrophobicContact CB-CD1 3.84Å; I56-L67 HydrophobicContact CG1-CD1 3.89Å; L67-L69 HydrophobicContact CD1-CD2 4.08Å; L67-L69 HydrophobicContact CD1-CG 4.35Å; L67-L69 HydrophobicContact CD2-CD1 4.34Å; L67-L69 HydrophobicContact CD2-CD2 4.4Å; L67-L69 HydrophobicContact CD2-CG 4.27Å; L67-L69 HydrophobicContact CG-CD2 4.34Å; L67-L69 HydrophobicContact CG-CG 4.12Å; L67-Y80 HydrophobicContact CD2-CD1 4.17Å
68	Q	98.3	Very high	95.3	Very high	88 Å²	88	52.4 Å²	52.4	41%	0.411	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.4	169.9	-178.1	171.2	-3.7	0	0	109.5	V4 A54 T55	V4-Q68 WeakPolarHBondContact O-CA 3.45Å; A54-Q68 CarbonylContact C-O 3.57Å; A54-Q68 WeakPolarHBondContact CA-O 3.44Å; T55-Q68 PolarHBondContact N-O 2.91Å; T55-Q68 PolarHBondContact O-N 3.31Å
69	L	97.2	Very high	95.1	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.3	172.9	-64.1	168.9	0	0	0	108.6	S3 V4 A54 L67 L72 Y80	S3-L69 CarbonylContact C-O 3.51Å; S3-L69 WeakPolarHBondContact CA-O 3.34Å; S3-L69 WeakPolarHBondContact CB-O 3.3Å; V4-L69 HydrophobicContact CG1-CB 4.14Å; V4-L69 HydrophobicContact CG1-CD1 4.44Å; V4-L69 PolarHBondContact N-O 3.01Å; V4-L69 PolarHBondContact O-N 3.11Å; A54-L69 HydrophobicContact CB-CD2 3.85Å; L67-L69 HydrophobicContact CD1-CD2 4.08Å; L67-L69 HydrophobicContact CD1-CG 4.35Å; L67-L69 HydrophobicContact CD2-CD1 4.34Å; L67-L69 HydrophobicContact CD2-CD2 4.4Å; L67-L69 HydrophobicContact CD2-CG 4.27Å; L67-L69 HydrophobicContact CG-CD2 4.34Å; L67-L69 HydrophobicContact CG-CG 4.12Å; L69-L72 HydrophobicContact CB-CD2 3.72Å; L69-L72 HydrophobicContact CD1-CD2 4.35Å; L69-Y80 HydrophobicContact CD1-CD1 4.22Å; L69-Y80 HydrophobicContact CD1-CE1 3.48Å; L69-Y80 VanDerWaalsContact CD1-CE1 3.48Å; L69-Y80 HydrophobicContact CD1-CE2 4.43Å
70	S	95.5	Very high	95.1	Very high	33 Å²	33	54.2 Å²	54.2	23%	0.231	32%	0.321	C	S	.	.			trans	-114.8	162	179.2	64.6	0	0	0	0	111.3	K53 L72	K53-S70 VanDerWaalsContact CG-O 3.32Å; K53-S70 WeakPolarHBondContact CG-O 3.33Å; K53-S70 PolarHBondContact O-N 3Å; K53-S70 PolarHBondContact O-OG 3.44Å; S70-L72 VanDerWaalsContact C-N 3.28Å; S70-L72 PolarHBondContact O-N 2.88Å
71	S	93.3	Very high	95.1	Very high	74 Å²	74	56.9 Å²	56.9	52%	0.517	33%	0.327	S	S	.	.	S	Bend	trans	53.5	44.9	177.7	-62.5	0	0	0	0	113.1	A2	A2-S71 PolarHBondContact O-N 3.33Å
72	L	93.7	Very high	95.1	Very high	46 Å²	46	53.9 Å²	53.9	24%	0.241	31%	0.305	C	S	.	.			trans	-60.6	140.9	-177.5	-66.6	171.2	0	0	0	112.1	A2 V4 L69 S70 D76	A2-L72 WeakPolarHBondContact O-CB 3.44Å; A2-L72 WeakPolarHBondContact O-CG 3.19Å; A2-L72 PolarHBondContact O-N 3.2Å; V4-L72 HydrophobicContact CB-CD1 4.02Å; V4-L72 HydrophobicContact CG1-CD1 3.84Å; L69-L72 HydrophobicContact CB-CD2 3.72Å; L69-L72 HydrophobicContact CD1-CD2 4.35Å; S70-L72 VanDerWaalsContact C-N 3.28Å; S70-L72 PolarHBondContact O-N 2.88Å; L72-D76 VanDerWaalsContact CA-OD2 3.31Å; L72-D76 WeakPolarHBondContact CA-OD2 3.45Å; L72-D76 HydrophobicContact CD2-CB 3.63Å
73	T	92.8	Very high	95	Very high	74 Å²	74	57.2 Å²	57.2	45%	0.454	32%	0.315	S	S	.	.			trans	-125.2	173.3	173	68.8	0	0	0	0	110.2	E75 D76	T73-E75 PolarHBondContact O-N 2.81Å; T73-D76 PolarHBondContact N-OD2 3.23Å; T73-D76 WeakPolarHBondContact O-CB 3.27Å; T73-D76 PolarHBondContact O-N 3.1Å; T73-D76 PolarHBondContact OG1-OD2 2.95Å
74	S	90	Very high	94.7	Very high	103 Å²	103	57.6 Å²	57.6	72%	0.72	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-55.8	-32.2	176.8	50	0	0	0	0	112.8	D76 T77	S74-D76 PolarHBondContact O-N 2.89Å; S74-T77 VanDerWaalsContact O-CB 3.32Å; S74-T77 WeakPolarHBondContact O-CB 3.22Å; S74-T77 PolarHBondContact O-N 3.31Å; S74-T77 VanDerWaalsContact O-N 3.16Å; S74-T77 PolarHBondContact O-OG1 2.81Å
75	E	87.6	Confident	93.8	Very high	122 Å²	122	58.1 Å²	58.1	57%	0.57	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-64.5	-19.8	176.6	-61	-171.6	-172.4	0	0	113.4	K24 R26 T73 T77	K24-E75 PolarHBondContact NZ-O 3.17Å; R26-E75 VanDerWaalsContact CZ-O 3.22Å; R26-E75 PolarHBondContact NE-O 2.88Å; R26-E75 VanDerWaalsContact NE-O 3.14Å; R26-E75 PolarHBondContact NH2-O 3.02Å; R26-E75 IonicContact NH2-OE2 2.97Å; T73-E75 PolarHBondContact O-N 2.81Å; E75-T77 PolarHBondContact O-N 2.76Å
76	D	90.9	Very high	91.9	Very high	13 Å²	13	60.1 Å²	60.1	7%	0.07	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-80.2	-4.5	177.3	-58.4	-51.1	0	0	0	113.8	K24 K53 L72 T73 S74 A78 Y80	K24-D76 IonicContact NZ-OD1 3.76Å; K53-D76 WeakPolarHBondContact CE-OD1 3.39Å; K53-D76 WeakPolarHBondContact CE-OD2 3.38Å; K53-D76 IonicContact NZ-OD1 2.83Å; K53-D76 PolarHBondContact NZ-OD1 2.82Å; K53-D76 IonicContact NZ-OD2 3.37Å; K53-D76 PolarHBondContact NZ-OD2 2.86Å; L72-D76 VanDerWaalsContact CA-OD2 3.31Å; L72-D76 WeakPolarHBondContact CA-OD2 3.45Å; L72-D76 HydrophobicContact CD2-CB 3.63Å; T73-D76 PolarHBondContact N-OD2 3.23Å; T73-D76 WeakPolarHBondContact O-CB 3.27Å; T73-D76 PolarHBondContact O-N 3.1Å; T73-D76 PolarHBondContact OG1-OD2 2.95Å; S74-D76 PolarHBondContact O-N 2.89Å; D76-A78 PolarHBondContact O-N 3.38Å; D76-A78 VanDerWaalsContact O-N 3.11Å; D76-Y80 WeakPolarHBondContact O-CE2 3.21Å; D76-Y80 PolarHBondContact O-OH 2.86Å
77	T	92.3	Very high	89.4	Confident	117 Å²	117	68.3 Å²	68.3	72%	0.718	38%	0.381	S	S	*	.			trans	-67.7	109.4	173.3	-48.1	0	0	0	0	109.5	S74 E75	S74-T77 VanDerWaalsContact O-CB 3.32Å; S74-T77 WeakPolarHBondContact O-CB 3.22Å; S74-T77 PolarHBondContact O-N 3.31Å; S74-T77 VanDerWaalsContact O-N 3.16Å; S74-T77 PolarHBondContact O-OG1 2.81Å; E75-T77 PolarHBondContact O-N 2.76Å
78	A	93.9	Very high	86.8	Confident	31 Å²	31	79.9 Å²	79.9	26%	0.256	43%	0.432	S	S	.	.	S	Bend	trans	-165.2	171.5	-177.2	0	0	0	0	0	109.6	K24 Q25 R26 D76 Y80	K24-A78 HydrophobicContact CD-CB 4.15Å; K24-A78 VanDerWaalsContact CE-CB 3.48Å; K24-A78 HydrophobicContact CG-CB 3.52Å; Q25-A78 WeakPolarHBondContact O-CB 3.45Å; R26-A78 HydrophobicContact CG-CB 3.96Å; D76-A78 PolarHBondContact O-N 3.38Å; D76-A78 VanDerWaalsContact O-N 3.11Å; A78-Y80 HydrophobicContact CB-CE2 4.13Å; A78-Y80 WeakPolarHBondContact O-CD2 3.34Å
79	V	95.4	Very high	86.2	Confident	74 Å²	74	79.5 Å²	79.5	45%	0.448	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	138.1	165	-173.6	0	0	0	0	108.3	Q25 Y81	Q25-V79 HydrophobicContact CB-CB 4.45Å; Q25-V79 PolarHBondContact N-O 2.83Å; Q25-V79 PolarHBondContact O-N 3.23Å; V79-Y81 HydrophobicContact CB-CE2 3.91Å; V79-Y81 HydrophobicContact CG1-CD2 4.19Å; V79-Y81 HydrophobicContact CG1-CE1 4.13Å; V79-Y81 HydrophobicContact CG1-CE2 3.47Å; V79-Y81 VanDerWaalsContact CG1-CE2 3.47Å; V79-Y81 VanDerWaalsContact CG1-CZ 3.44Å; V79-Y81 WeakPolarHBondContact CG1-OH 3.13Å
80	Y	96.9	Very high	85.7	Confident	51 Å²	51	83.6 Å²	83.6	20%	0.2	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.6	178.8	-69.2	-93.4	0	0	0	109.1	L6 V23 K24 I34 L67 L69 D76 A78	L6-Y80 HydrophobicContact CD1-CD1 4.2Å; L6-Y80 HydrophobicContact CD1-CD2 4.15Å; L6-Y80 HydrophobicContact CD1-CG 3.71Å; V23-Y80 WeakPolarHBondContact O-CA 3.5Å; K24-Y80 HydrophobicContact CB-CD1 4.23Å; K24-Y80 HydrophobicContact CB-CE1 3.97Å; K24-Y80 HydrophobicContact CD-CE1 4.09Å; K24-Y80 WeakPolarHBondContact CE-OH 3.47Å; K24-Y80 HydrophobicContact CG-CD1 4.34Å; K24-Y80 HydrophobicContact CG-CE1 3.78Å; I34-Y80 HydrophobicContact CD1-CD1 3.73Å; I34-Y80 HydrophobicContact CD1-CE1 3.8Å; L67-Y80 HydrophobicContact CD2-CD1 4.17Å; L69-Y80 HydrophobicContact CD1-CD1 4.22Å; L69-Y80 HydrophobicContact CD1-CE1 3.48Å; L69-Y80 VanDerWaalsContact CD1-CE1 3.48Å; L69-Y80 HydrophobicContact CD1-CE2 4.43Å; D76-Y80 WeakPolarHBondContact O-CE2 3.21Å; D76-Y80 PolarHBondContact O-OH 2.86Å; A78-Y80 HydrophobicContact CB-CE2 4.13Å; A78-Y80 WeakPolarHBondContact O-CD2 3.34Å
81	Y	96.3	Very high	85.1	Confident	110 Å²	110	86.4 Å²	86.4	43%	0.431	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.7	178.7	-63.7	-83.3	0	0	0	109.8	W22 V23 Q25 V79	W22-Y81 WeakPolarHBondContact CA-O 3.49Å; V23-Y81 PolarHBondContact N-O 3.16Å; V23-Y81 PolarHBondContact O-N 3.03Å; Q25-Y81 HydrophobicContact CB-CD2 4.11Å; Q25-Y81 HydrophobicContact CB-CE2 3.66Å; Q25-Y81 HydrophobicContact CG-CE2 4.45Å; Q25-Y81 VanDerWaalsContact OE1-CE2 3.27Å; Q25-Y81 PolarHBondContact OE1-OH 3.4Å; V79-Y81 HydrophobicContact CB-CE2 3.91Å; V79-Y81 HydrophobicContact CG1-CD2 4.19Å; V79-Y81 HydrophobicContact CG1-CE1 4.13Å; V79-Y81 HydrophobicContact CG1-CE2 3.47Å; V79-Y81 VanDerWaalsContact CG1-CE2 3.47Å; V79-Y81 VanDerWaalsContact CG1-CZ 3.44Å; V79-Y81 WeakPolarHBondContact CG1-OH 3.13Å
82	C	95.8	Very high	84.6	Confident	47 Å²	47	87.1 Å²	87.1	32%	0.318	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.5	163.1	58.8	0	0	0	0	109.1	C8 H21 W22	C8-C82 HydrophobicContact CB-CB 3.5Å; C8-C82 WeakPolarHBondContact CB-SG 3.22Å; C8-C82 WeakPolarHBondContact SG-CB 3.36Å; C8-C82 CovalentContact SG-SG 2.01Å; C8-C82 PolarHBondContact SG-SG 2.63Å; H21-C82 VanDerWaalsContact O-CA 3.26Å; H21-C82 WeakPolarHBondContact O-CA 3.36Å; W22-C82 HydrophobicContact CD2-CB 4.23Å; W22-C82 HydrophobicContact CE3-CB 4.04Å; W22-C82 HydrophobicContact CH2-CB 4.07Å; W22-C82 HydrophobicContact CZ2-CB 4.22Å; W22-C82 HydrophobicContact CZ3-CB 3.96Å
83	E	94	Very high	84.1	Confident	120 Å²	120	89.7 Å²	89.7	56%	0.561	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.8	-179.4	-176.7	176.7	-173	0	0	110.1	H21	H21-E83 PolarHBondContact N-O 3.37Å; H21-E83 PolarHBondContact O-N 2.91Å
84	S	91.6	Very high	83.5	Confident	46 Å²	46	90.7 Å²	90.7	32%	0.322	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.4	169.2	56.9	0	0	0	0	109.5	Y19	Y19-S84 WeakPolarHBondContact O-CA 3.28Å
85	G	79.9	Confident	83	Confident	22 Å²	22	89.9 Å²	89.9	23%	0.227	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	147.9	178.8	0	0	0	0	0	113.7	Y19	Y19-G85 WeakPolarHBondContact CB-O 3.38Å; Y19-G85 PolarHBondContact O-N 2.61Å
86	G	58.5	Low	82.7	Confident	42 Å²	42	87.4 Å²	87.4	43%	0.433	46%	0.455	S	S	.	.	S	Bend	trans	-99.5	-4.8	-178.3	0	0	0	0	0	115.7
87	Y	44.3	Very low	82	Confident	220 Å²	220	93.6 Å²	93.6	86%	0.863	49%	0.487	S	S	*	.			trans	-149.1	116.6	-170.3	-66.5	-78.7	0	0	0	113.7
88	F	45.2	Very low	81.1	Confident	243 Å²	243	91.5 Å²	91.5	100%	1.066	47%	0.466	S	S	*	.			trans	-137.4	0	142.7	-75.9	-77.9	0	0	0	107.7	H21	H21-F88 AromaticContact CE1-CD2 3.76Å

Retrieved 88 of 88 residues in 20.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).