X5J4C7_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4C7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 aa.

						>X5J4C7_MOUSE|X5J4C7
AELVKPGASVKMSCKASGYTFTTYPIEWMKQNHGKSLEWIGNFHPYNDDTKYNEKFKGKATLTVEKSSSTVYLELSRLTSDDSAVYYCARWLLRYGLLGSRNLSHRLL
					

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	A	56.3	Low	79.5	Confident	101 Å²	101	85.6 Å²	85.6	84%	0.835	51%	0.51	S	S	*	.				0	124.1	0	0	0	0	0	0	106.3	R106 L108	A1-R106 CarbonylContact C-O 3.56Å; A1-R106 WeakPolarHBondContact CA-O 3.18Å; A1-L108 HydrophobicContact CB-CD1 3.59Å; A1-L108 HydrophobicContact CB-CG 3.9Å
2	E	66.4	Low	80.7	Confident	93 Å²	93	78.9 Å²	78.9	44%	0.435	47%	0.469	S	S	.	.	B	Isolated β-bridge	trans	-110.7	120.2	-175.5	-171.9	175.5	178.8	0	0	108.8	V4 V10 R106 L107 L108	E2-V4 HydrophobicContact CG-CG2 3.84Å; E2-V10 VanDerWaalsContact CD-CG2 3.49Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.39Å; E2-R106 PolarHBondContact N-O 3.12Å; E2-R106 VanDerWaalsContact N-O 3.07Å; E2-L107 HydrophobicContact CB-CD1 4.19Å; E2-L108 PolarHBondContact O-N 2.69Å
3	L	71.1	Confident	81.6	Confident	151 Å²	151	76.8 Å²	76.8	79%	0.791	46%	0.461	S	S	*	.			trans	-90.1	115.5	178.1	-76.9	162.6	0	0	0	108.7	L108	L3-L108 WeakPolarHBondContact CA-O 3.48Å; L3-L108 HydrophobicContact CD2-CB 3.73Å; L3-L108 HydrophobicContact CD2-CD1 4.5Å; L3-L108 HydrophobicContact CG-CB 4.3Å
4	V	76.4	Confident	82.2	Confident	38 Å²	38	71.9 Å²	71.9	23%	0.23	43%	0.432	C	S	.	.			trans	-119.6	137.9	-174.4	-169.8	0	0	0	0	111.2	E2 A8 V10 L78 L107 L108	E2-V4 HydrophobicContact CG-CG2 3.84Å; V4-A8 HydrophobicContact CG1-CB 3.73Å; V4-V10 HydrophobicContact CG2-CB 4.34Å; V4-V10 HydrophobicContact CG2-CG2 4.3Å; V4-L78 HydrophobicContact CB-CD1 3.97Å; V4-L78 HydrophobicContact CG1-CD1 3.48Å; V4-L78 VanDerWaalsContact CG1-CD1 3.48Å; V4-L78 HydrophobicContact CG2-CD1 4.47Å; V4-L107 HydrophobicContact CG2-CD1 3.83Å; V4-L107 HydrophobicContact CG2-CG 4.41Å; V4-L108 PolarHBondContact N-O 3.33Å
5	K	78.3	Confident	82.7	Confident	173 Å²	173	76 Å²	76	75%	0.752	44%	0.442	S	S	*	.			trans	-69.8	141.2	176.5	-68.7	-179.9	-179.1	178.7	0	110.1	G7 A8	K5-G7 PolarHBondContact O-N 2.84Å; K5-A8 VanDerWaalsContact O-CB 3.23Å; K5-A8 WeakPolarHBondContact O-CB 3.17Å; K5-A8 PolarHBondContact O-N 3Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6	P	78.4	Confident	82.9	Confident	115 Å²	115	72.2 Å²	72.2	75%	0.747	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	140.7	170.3	-25	33.9	0	0	0	111.6	A8	P6-A8 PolarHBondContact O-N 3.31Å
7	G	82.3	Confident	83.1	Confident	53 Å²	53	73.7 Å²	73.7	55%	0.546	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-12.5	-177.3	0	0	0	0	0	115.1	K5 L78	K5-G7 PolarHBondContact O-N 2.84Å; G7-L78 PolarHBondContact N-O 2.71Å
8	A	88.6	Confident	83.1	Confident	37 Å²	37	74.4 Å²	74.4	31%	0.306	46%	0.463	S	S	.	.			trans	-74.6	168.9	173.9	0	0	0	0	0	111.7	V4 K5 P6 R77 L78	V4-A8 HydrophobicContact CG1-CB 3.73Å; K5-A8 VanDerWaalsContact O-CB 3.23Å; K5-A8 WeakPolarHBondContact O-CB 3.17Å; K5-A8 PolarHBondContact O-N 3Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 PolarHBondContact O-N 3.31Å; A8-R77 PolarHBondContact O-N 3.49Å; A8-L78 WeakPolarHBondContact O-CB 3.49Å; A8-L78 WeakPolarHBondContact O-CG 3.23Å; A8-L78 PolarHBondContact O-N 2.8Å
9	S	91.7	Very high	82.9	Confident	66 Å²	66	73.5 Å²	73.5	46%	0.462	45%	0.45	S	S	.	.			trans	-106.8	147.7	169.9	-58	0	0	0	0	109.8	L75 S76	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.33Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; S9-S76 WeakPolarHBondContact OG-CA 3.46Å
10	V	92.3	Very high	83.1	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.018	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.4	172.6	68.5	0	0	0	0	110	E2 V4 E74 L75 L78 L107	E2-V10 VanDerWaalsContact CD-CG2 3.49Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.39Å; V4-V10 HydrophobicContact CG2-CB 4.34Å; V4-V10 HydrophobicContact CG2-CG2 4.3Å; V10-E74 CarbonylContact O-C 3.6Å; V10-E74 VanDerWaalsContact O-CA 3.26Å; V10-E74 WeakPolarHBondContact O-CA 3.44Å; V10-L75 HydrophobicContact CG1-CB 4.06Å; V10-L75 HydrophobicContact CG1-CD1 4.38Å; V10-L75 PolarHBondContact N-O 2.74Å; V10-L75 PolarHBondContact O-N 2.9Å; V10-L78 HydrophobicContact CB-CD1 3.97Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.29Å; V10-L107 HydrophobicContact CB-CD1 4.16Å; V10-L107 HydrophobicContact CG1-CD1 3.86Å; V10-L107 HydrophobicContact CG1-CD2 4.13Å; V10-L107 HydrophobicContact CG2-CD1 3.77Å
11	K	93.1	Very high	83.2	Confident	112 Å²	112	71.7 Å²	71.7	49%	0.487	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.1	176.1	-172.7	177.3	-177.4	174.4	0	110.2	Y72 E74	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å; K11-E74 HydrophobicContact CB-CB 4.5Å; K11-E74 HydrophobicContact CB-CG 4.47Å; K11-E74 HydrophobicContact CG-CB 4.39Å
12	M	93.1	Very high	84.7	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.025	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	150	177.4	-59.5	170.9	-64.6	0	0	110	W28 Y72 L73 L75 Y86 H105	M12-W28 HydrophobicContact CB-CH2 3.84Å; M12-W28 HydrophobicContact CB-CZ3 4.21Å; M12-W28 HydrophobicContact CE-CZ3 4.21Å; M12-Y72 CarbonylContact O-C 3.52Å; M12-Y72 WeakPolarHBondContact O-CA 3.06Å; M12-L73 HydrophobicContact CE-CB 3.96Å; M12-L73 HydrophobicContact CE-CD2 3.36Å; M12-L73 HydrophobicContact CE-CG 3.56Å; M12-L73 PolarHBondContact N-O 2.98Å; M12-L73 PolarHBondContact O-N 3Å; M12-L75 HydrophobicContact CE-CD1 3.96Å; M12-L75 HydrophobicContact CE-CG 4.42Å; M12-Y86 HydrophobicContact CE-CD1 3.91Å; M12-Y86 HydrophobicContact CE-CD2 4.38Å; M12-Y86 HydrophobicContact CE-CG 3.8Å; M12-Y86 HydrophobicContact SD-CD2 4.04Å; M12-Y86 HydrophobicContact SD-CG 3.82Å; M12-H105 HydrophobicContact CG-CB 4.41Å; M12-H105 HydrophobicContact SD-CB 4.04Å
13	S	92.5	Very high	85.6	Confident	51 Å²	51	68.5 Å²	68.5	36%	0.357	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.3	-179.6	72.6	0	0	0	0	111.4	V71 Y72 H105	S13-V71 CarbonylContact C-O 3.42Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å; S13-H105 PolarHBondContact O-CE1 3.36Å; S13-H105 PolarHBondContact O-NE2 3.4Å; S13-H105 VanDerWaalsContact O-NE2 3.15Å
14	C	90.3	Very high	86.2	Confident	9 Å²	9	65 Å²	65	6%	0.061	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	102.9	177.9	-179.1	0	0	0	0	109.2	W28 T70 V71 C88	C14-W28 HydrophobicContact CB-CH2 3.98Å; C14-W28 HydrophobicContact CB-CZ2 3.58Å; C14-T70 CarbonylContact O-C 3.5Å; C14-T70 WeakPolarHBondContact O-CA 3.31Å; C14-V71 HydrophobicContact CB-CB 4.46Å; C14-V71 PolarHBondContact N-O 3.21Å; C14-V71 PolarHBondContact O-N 2.99Å; C14-C88 HydrophobicContact CB-CB 3.53Å; C14-C88 WeakPolarHBondContact CB-SG 3.34Å; C14-C88 WeakPolarHBondContact SG-CB 3.48Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.85Å
15	K	90.3	Very high	86.7	Confident	133 Å²	133	64.1 Å²	64.1	58%	0.578	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.5	178.5	-172.2	173.9	-176.5	176.3	0	110.5	S68 L103	K15-S68 WeakPolarHBondContact CE-O 3.34Å; K15-L103 WeakPolarHBondContact O-CD1 3.35Å
16	A	86.1	Confident	87.2	Confident	15 Å²	15	56 Å²	56	12%	0.124	35%	0.352	C	S	.	.			trans	-72.8	142.7	172.5	0	0	0	0	0	110.8	Y19 F21 I26 S69	A16-Y19 HydrophobicContact CB-CE1 3.88Å; A16-Y19 WeakPolarHBondContact CB-OH 3.45Å; A16-F21 HydrophobicContact CB-CD2 3.49Å; A16-F21 VanDerWaalsContact CB-CD2 3.49Å; A16-F21 HydrophobicContact CB-CE2 3.83Å; A16-I26 HydrophobicContact CB-CD1 4.2Å; A16-S69 PolarHBondContact N-O 3.22Å
17	S	85.2	Confident	87.7	Confident	98 Å²	98	51.2 Å²	51.2	69%	0.685	32%	0.319	S	S	*	.			trans	-151.5	155.4	176.2	58.1	0	0	0	0	111	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.26Å
18	G	83.6	Confident	88.3	Confident	87 Å²	87	48.7 Å²	48.7	90%	0.897	29%	0.293	S	S	*	.	S	Bend	trans	78.9	14.7	176.6	0	0	0	0	0	115.6
19	Y	79.8	Confident	88.5	Confident	57 Å²	57	48.3 Å²	48.3	22%	0.224	29%	0.286	C	S	.	.	S	Bend	trans	-160.8	165.5	171.9	67.1	-77.9	0	0	0	111	A16 S17 F21 Y24 I26 R90	A16-Y19 HydrophobicContact CB-CE1 3.88Å; A16-Y19 WeakPolarHBondContact CB-OH 3.45Å; S17-Y19 WeakPolarHBondContact O-CD1 3.26Å; Y19-F21 PolarHBondContact O-N 2.77Å; Y19-Y24 AromaticContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CE2-CD2 4.27Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.47Å; Y19-R90 HydrophobicContact CE2-CG 4.43Å
20	T	86.3	Confident	88.5	Confident	94 Å²	94	45.6 Å²	45.6	58%	0.577	27%	0.265	S	S	*	.			trans	-67.6	113.8	171.8	-60.2	0	0	0	0	109.8	T22 T23	T20-T22 PolarHBondContact O-N 2.88Å; T20-T23 WeakPolarHBondContact CB-OG1 3.37Å; T20-T23 WeakPolarHBondContact O-CB 3.46Å; T20-T23 PolarHBondContact O-N 2.69Å; T20-T23 PolarHBondContact O-OG1 3.07Å; T20-T23 VanDerWaalsContact O-OG1 3.07Å
21	F	85.7	Confident	88.4	Confident	14 Å²	14	48.5 Å²	48.5	6%	0.061	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-52.4	-34.7	-171.1	-178.5	-119.2	0	0	0	114.2	A16 Y19 T23 I26 P45 V64 K66 S69 V71	A16-F21 HydrophobicContact CB-CD2 3.49Å; A16-F21 VanDerWaalsContact CB-CD2 3.49Å; A16-F21 HydrophobicContact CB-CE2 3.83Å; Y19-F21 PolarHBondContact O-N 2.77Å; F21-T23 VanDerWaalsContact C-N 3.3Å; F21-T23 PolarHBondContact O-N 3.47Å; F21-I26 HydrophobicContact CD2-CD1 3.83Å; F21-I26 HydrophobicContact CE2-CD1 3.24Å; F21-I26 HydrophobicContact CZ-CD1 4.08Å; F21-P45 HydrophobicContact CD1-CB 3.76Å; F21-P45 HydrophobicContact CD1-CG 3.97Å; F21-P45 HydrophobicContact CD2-CG 4.5Å; F21-P45 HydrophobicContact CE1-CB 3.61Å; F21-P45 HydrophobicContact CE1-CG 3.67Å; F21-P45 HydrophobicContact CE2-CG 4.29Å; F21-P45 HydrophobicContact CG-CG 4.38Å; F21-P45 HydrophobicContact CZ-CB 4.31Å; F21-P45 HydrophobicContact CZ-CG 3.86Å; F21-P45 WeakPolarHBondContact O-CG 3.17Å; F21-V64 HydrophobicContact CE1-CG1 3.67Å; F21-V64 HydrophobicContact CZ-CG1 3.78Å; F21-K66 HydrophobicContact CE1-CG 4.34Å; F21-S69 WeakPolarHBondContact CE2-O 3.26Å; F21-V71 HydrophobicContact CE2-CG2 3.91Å; F21-V71 HydrophobicContact CZ-CG2 3.91Å
22	T	87.1	Confident	88.2	Confident	56 Å²	56	44.2 Å²	44.2	34%	0.344	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-76	-10.7	-178.4	54.7	0	0	0	0	114.7	T20 P45 Y46	T20-T22 PolarHBondContact O-N 2.88Å; T22-P45 HydrophobicContact CG2-CB 4.29Å; T22-Y46 WeakPolarHBondContact O-CB 3.29Å
23	T	85.4	Confident	87.8	Confident	72 Å²	72	50.2 Å²	50.2	44%	0.442	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-75.2	-27.2	-171.7	-51.6	0	0	0	0	114.1	T20 F21	T20-T23 WeakPolarHBondContact CB-OG1 3.37Å; T20-T23 WeakPolarHBondContact O-CB 3.46Å; T20-T23 PolarHBondContact O-N 2.69Å; T20-T23 PolarHBondContact O-OG1 3.07Å; T20-T23 VanDerWaalsContact O-OG1 3.07Å; F21-T23 VanDerWaalsContact C-N 3.3Å; F21-T23 PolarHBondContact O-N 3.47Å
24	Y	83.9	Confident	87.2	Confident	76 Å²	76	52.2 Å²	52.2	30%	0.298	32%	0.318	S	S	.	.	S	Bend	trans	-137	146.3	-172.8	-63.4	-75.3	0	0	0	111.9	Y19 P45 R90 W91 L92	Y19-Y24 AromaticContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CE2-CD2 4.27Å; Y24-P45 WeakPolarHBondContact O-CD 3.48Å; Y24-R90 HydrophobicContact CD2-CG 4.25Å; Y24-R90 HydrophobicContact CG-CG 3.99Å; Y24-W91 VanDerWaalsContact CD1-O 3.26Å; Y24-W91 WeakPolarHBondContact CD1-O 3.48Å; Y24-L92 HydrophobicContact CD1-CD2 3.98Å; Y24-L92 HydrophobicContact CD2-CD2 4.38Å; Y24-L92 HydrophobicContact CE1-CD2 3.67Å; Y24-L92 HydrophobicContact CE2-CD2 4.07Å; Y24-L92 HydrophobicContact CG-CD2 4.32Å
25	P	86.9	Confident	86.8	Confident	21 Å²	21	58.2 Å²	58.2	14%	0.136	34%	0.343	C	S	.	.			trans	-67.3	148.8	168.9	15.4	-10.2	0	0	0	110.8	F43 H44 W91	P25-F43 VanDerWaalsContact CA-O 3.31Å; P25-F43 WeakPolarHBondContact CA-O 3.35Å; P25-H44 HydrophobicContact CB-CB 4.22Å; P25-W91 HydrophobicContact CB-CB 4.48Å; P25-W91 HydrophobicContact CG-CB 3.87Å; P25-W91 HydrophobicContact CG-CG 4.36Å; P25-W91 PolarHBondContact O-N 2.98Å
26	I	88.8	Confident	86.6	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.1	175.5	-61.7	169.1	0	0	0	107.8	A16 Y19 F21 N42 F43 V71 A89	A16-I26 HydrophobicContact CB-CD1 4.2Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.47Å; F21-I26 HydrophobicContact CD2-CD1 3.83Å; F21-I26 HydrophobicContact CE2-CD1 3.24Å; F21-I26 HydrophobicContact CZ-CD1 4.08Å; I26-N42 CarbonylContact O-C 3.59Å; I26-N42 WeakPolarHBondContact O-CA 3.14Å; I26-N42 WeakPolarHBondContact O-CB 3.35Å; I26-F43 PolarHBondContact N-O 2.77Å; I26-F43 PolarHBondContact O-N 3.11Å; I26-V71 HydrophobicContact CB-CG2 4.02Å; I26-V71 HydrophobicContact CD1-CG2 3.35Å; I26-V71 HydrophobicContact CG1-CG2 4.27Å; I26-V71 HydrophobicContact CG2-CB 4.45Å; I26-V71 HydrophobicContact CG2-CG2 3.85Å; I26-A89 CarbonylContact C-O 3.55Å; I26-A89 WeakPolarHBondContact CA-O 3.11Å
27	E	89.9	Confident	86.7	Confident	15 Å²	15	59.4 Å²	59.4	7%	0.07	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.7	-174.6	-52.6	-148.4	124.1	0	0	111.5	W39 G41 N42 C88 A89 W91	E27-W39 PolarHBondContact OE1-NE1 2.55Å; E27-G41 WeakPolarHBondContact CA-O 2.95Å; E27-N42 HydrophobicContact CB-CB 4.34Å; E27-N42 HydrophobicContact CG-CB 3.85Å; E27-C88 CarbonylContact O-C 3.56Å; E27-C88 WeakPolarHBondContact O-CA 3.43Å; E27-A89 PolarHBondContact N-O 3.07Å; E27-A89 PolarHBondContact O-N 3.04Å; E27-W91 HydrophobicContact CG-CB 4.23Å; E27-W91 HydrophobicContact CG-CE3 4.08Å; E27-W91 WeakPolarHBondContact OE1-CZ3 2.97Å; E27-W91 WeakPolarHBondContact OE2-CZ3 3.26Å
28	W	93.1	Very high	87.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136	168.6	-76.6	94.1	0	0	0	110.6	M12 C14 I40 G41 L62 L73 Y87 C88	M12-W28 HydrophobicContact CB-CH2 3.84Å; M12-W28 HydrophobicContact CB-CZ3 4.21Å; M12-W28 HydrophobicContact CE-CZ3 4.21Å; C14-W28 HydrophobicContact CB-CH2 3.98Å; C14-W28 HydrophobicContact CB-CZ2 3.58Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.42Å; W28-G41 PolarHBondContact N-O 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.04Å; W28-L73 HydrophobicContact CB-CD2 3.99Å; W28-L73 HydrophobicContact CD2-CB 3.59Å; W28-L73 HydrophobicContact CD2-CD2 3.74Å; W28-L73 HydrophobicContact CD2-CG 4.3Å; W28-L73 VanDerWaalsContact CE2-CB 3.5Å; W28-L73 HydrophobicContact CE3-CB 3.98Å; W28-L73 HydrophobicContact CE3-CD2 3.65Å; W28-L73 HydrophobicContact CE3-CG 4.46Å; W28-L73 HydrophobicContact CG-CB 4.02Å; W28-L73 HydrophobicContact CG-CD2 3.92Å; W28-L73 HydrophobicContact CH2-CB 4.16Å; W28-L73 HydrophobicContact CZ2-CB 3.79Å; W28-L73 HydrophobicContact CZ3-CB 4.25Å; W28-L73 HydrophobicContact CZ3-CD2 4.34Å; W28-Y87 WeakPolarHBondContact CA-O 3.41Å; W28-C88 HydrophobicContact CD2-CB 4Å; W28-C88 HydrophobicContact CE3-CB 4.01Å; W28-C88 HydrophobicContact CH2-CB 4.04Å; W28-C88 HydrophobicContact CZ2-CB 4.02Å; W28-C88 HydrophobicContact CZ3-CB 4.04Å
29	M	92.7	Very high	87.5	Confident	29 Å²	29	56.2 Å²	56.2	14%	0.143	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.9	179.2	-62.1	171.9	-76.8	0	0	110.2	L37 E38 Y86 Y87 A89	M29-L37 HydrophobicContact CB-CD2 3.86Å; M29-L37 HydrophobicContact SD-CB 4.41Å; M29-L37 HydrophobicContact SD-CD1 4.21Å; M29-L37 HydrophobicContact SD-CD2 4.37Å; M29-E38 CarbonylContact C-O 3.6Å; M29-E38 VanDerWaalsContact CA-O 3.29Å; M29-E38 WeakPolarHBondContact CA-O 3.45Å; M29-Y86 CarbonylContact O-C 3.58Å; M29-Y86 WeakPolarHBondContact O-CA 3.41Å; M29-Y87 PolarHBondContact N-O 2.92Å; M29-Y87 PolarHBondContact O-N 3.36Å; M29-A89 HydrophobicContact CE-CB 3.62Å
30	K	92.4	Very high	88.2	Confident	9 Å²	9	53.5 Å²	53.5	4%	0.039	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.1	173	-177.5	179.9	-178.8	-173.9	0	109.3	N32 E38 I40 F56 D81 D82 A84 V85 Y86	K30-N32 WeakPolarHBondContact CE-OD1 3.43Å; K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 3.35Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CB-CZ 4.36Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 3.99Å; K30-D81 PolarHBondContact NZ-O 2.9Å; K30-D82 IonicContact NZ-OD1 3.86Å; K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.59Å; K30-V85 CarbonylContact C-O 3.6Å; K30-Y86 HydrophobicContact CB-CD1 4.17Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 WeakPolarHBondContact CE-OH 3.32Å; K30-Y86 HydrophobicContact CG-CD1 4.36Å; K30-Y86 HydrophobicContact CG-CE1 3.78Å
31	Q	90.6	Very high	88.6	Confident	64 Å²	64	49 Å²	49	30%	0.299	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	109.3	171.8	-169.3	178.3	38.3	0	0	109.5	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 4.38Å; Q31-A84 WeakPolarHBondContact O-CB 3.45Å; Q31-V85 PolarHBondContact N-O 2.83Å; Q31-V85 PolarHBondContact O-N 3.23Å; Q31-Y87 HydrophobicContact CB-CD2 4.26Å; Q31-Y87 HydrophobicContact CB-CE2 3.65Å; Q31-Y87 HydrophobicContact CG-CE2 4.47Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.26Å; Q31-Y87 PolarHBondContact OE1-OH 3.24Å
32	N	88.6	Confident	88.9	Confident	22 Å²	22	49.5 Å²	49.5	12%	0.118	27%	0.273	C	S	.	.			trans	-75.2	152.5	169.7	-68.2	-36.2	0	0	0	110.1	K30 G34 K35 E38	K30-N32 WeakPolarHBondContact CE-OD1 3.43Å; N32-G34 PolarHBondContact O-N 3.07Å; N32-G34 VanDerWaalsContact O-N 3.12Å; N32-K35 HydrophobicContact CB-CB 3.97Å; N32-K35 HydrophobicContact CB-CD 3.85Å; N32-K35 HydrophobicContact CB-CG 4.06Å; N32-K35 PolarHBondContact O-N 3.12Å; N32-E38 PolarHBondContact ND2-OE1 3.42Å
33	H	84.6	Confident	89.1	Confident	131 Å²	131	47.5 Å²	47.5	61%	0.606	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	119.4	178.5	-76	-136	0	0	0	110.7	K35	H33-K35 VanDerWaalsContact C-N 3.26Å; H33-K35 PolarHBondContact O-N 2.83Å
34	G	80.2	Confident	89.3	Confident	93 Å²	93	46.2 Å²	46.2	96%	0.959	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	8.1	179.6	0	0	0	0	0	116	N32	N32-G34 PolarHBondContact O-N 3.07Å; N32-G34 VanDerWaalsContact O-N 3.12Å
35	K	82.8	Confident	89.5	Confident	134 Å²	134	42.7 Å²	42.7	58%	0.583	24%	0.235	S	C	*	.	S	Bend	trans	-111	165	178.8	-59.7	-170.6	179.7	175.4	0	112.4	N32 H33	N32-K35 HydrophobicContact CB-CB 3.97Å; N32-K35 HydrophobicContact CB-CD 3.85Å; N32-K35 HydrophobicContact CB-CG 4.06Å; N32-K35 PolarHBondContact O-N 3.12Å; H33-K35 VanDerWaalsContact C-N 3.26Å; H33-K35 PolarHBondContact O-N 2.83Å
36	S	85.4	Confident	89.6	Confident	94 Å²	94	50.2 Å²	50.2	66%	0.657	26%	0.262	S	S	*	.			trans	-62.6	159.5	171.4	56.2	0	0	0	0	111.9	E38	S36-E38 PolarHBondContact O-N 2.76Å
37	L	88.8	Confident	89.8	Confident	80 Å²	80	54.4 Å²	54.4	42%	0.419	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	129.9	170	-76.4	159.6	0	0	0	110	M29 Q31 Y87	M29-L37 HydrophobicContact CB-CD2 3.86Å; M29-L37 HydrophobicContact SD-CB 4.41Å; M29-L37 HydrophobicContact SD-CD1 4.21Å; M29-L37 HydrophobicContact SD-CD2 4.37Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 4.38Å; L37-Y87 HydrophobicContact CD2-CD2 3.65Å; L37-Y87 HydrophobicContact CD2-CE2 4Å
38	E	92	Very high	89.8	Confident	39 Å²	39	57.8 Å²	57.8	18%	0.182	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.4	172.9	-63.3	-175.5	-113.9	0	0	108.8	M29 K30 N32 S36 K55 F56	M29-E38 CarbonylContact C-O 3.6Å; M29-E38 VanDerWaalsContact CA-O 3.29Å; M29-E38 WeakPolarHBondContact CA-O 3.45Å; K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 3.35Å; N32-E38 PolarHBondContact ND2-OE1 3.42Å; S36-E38 PolarHBondContact O-N 2.76Å; E38-K55 IonicContact OE1-NZ 2.66Å; E38-K55 IonicContact OE2-NZ 2.77Å; E38-K55 PolarHBondContact OE2-NZ 2.83Å; E38-F56 HydrophobicContact CB-CE2 4.5Å; E38-F56 HydrophobicContact CB-CZ 4.49Å
39	W	92.6	Very high	89.7	Confident	78 Å²	78	60.7 Å²	60.7	30%	0.295	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.2	177.2	-179.9	84.1	0	0	0	110.7	E27 G41 N42 K51 N53	E27-W39 PolarHBondContact OE1-NE1 2.55Å; W39-G41 VanDerWaalsContact CZ2-C 3.48Å; W39-G41 VanDerWaalsContact CZ2-CA 3.42Å; W39-N42 HydrophobicContact CZ2-CB 4.13Å; W39-N42 WeakPolarHBondContact CZ2-ND2 3.49Å; W39-K51 HydrophobicContact CH2-CB 4.04Å; W39-K51 HydrophobicContact CZ2-CB 4.38Å; W39-N53 HydrophobicContact CE3-CB 3.65Å; W39-N53 HydrophobicContact CZ3-CB 3.77Å; W39-N53 VanDerWaalsContact CZ3-N 3.33Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 2.98Å
40	I	94.7	Very high	89.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-45.6	-178.5	-60.3	175.5	0	0	0	110.4	W28 K30 N53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.42Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; I40-N53 WeakPolarHBondContact O-CB 3.2Å; I40-N53 PolarHBondContact O-N 2.8Å; I40-F56 HydrophobicContact CB-CD2 4.35Å; I40-F56 HydrophobicContact CB-CG 4.32Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.11Å; I40-F56 HydrophobicContact CG1-CG 4.28Å; I40-F56 HydrophobicContact CG1-CZ 4.01Å; I40-F56 HydrophobicContact CG2-CB 3.9Å; I40-F56 HydrophobicContact CG2-CD1 4.17Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.91Å; I40-A60 HydrophobicContact CG2-CB 3.8Å; I40-L73 HydrophobicContact CD1-CD2 3.63Å; I40-L73 HydrophobicContact CG2-CD1 4.31Å; I40-L73 HydrophobicContact CG2-CD2 4.5Å; I40-Y86 HydrophobicContact CD1-CD1 3.64Å; I40-Y86 HydrophobicContact CD1-CE1 3.71Å
41	G	93.6	Very high	89.7	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170	169.1	-172.9	0	0	0	0	0	111.5	E27 W28 W39 K51	E27-G41 WeakPolarHBondContact CA-O 2.95Å; W28-G41 PolarHBondContact N-O 3.47Å; W39-G41 VanDerWaalsContact CZ2-C 3.48Å; W39-G41 VanDerWaalsContact CZ2-CA 3.42Å; G41-K51 CarbonylContact C-O 3.56Å; G41-K51 WeakPolarHBondContact CA-O 3.34Å
42	N	92	Very high	89.9	Confident	24 Å²	24	66.7 Å²	66.7	13%	0.128	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	159.1	172.2	74.4	54.9	0	0	0	111.5	I26 E27 W39 T50 K51	I26-N42 CarbonylContact O-C 3.59Å; I26-N42 WeakPolarHBondContact O-CA 3.14Å; I26-N42 WeakPolarHBondContact O-CB 3.35Å; E27-N42 HydrophobicContact CB-CB 4.34Å; E27-N42 HydrophobicContact CG-CB 3.85Å; W39-N42 HydrophobicContact CZ2-CB 4.13Å; W39-N42 WeakPolarHBondContact CZ2-ND2 3.49Å; N42-T50 WeakPolarHBondContact O-CA 3.38Å; N42-K51 PolarHBondContact N-O 2.91Å; N42-K51 PolarHBondContact O-N 2.97Å
43	F	91.4	Very high	90.2	Very high	15 Å²	15	68 Å²	68	7%	0.066	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.5	172.6	177.1	-93.3	0	0	0	109.6	P25 I26 P45 D48 D49 T50 V64 V71	P25-F43 VanDerWaalsContact CA-O 3.31Å; P25-F43 WeakPolarHBondContact CA-O 3.35Å; I26-F43 PolarHBondContact N-O 2.77Å; I26-F43 PolarHBondContact O-N 3.11Å; F43-P45 HydrophobicContact CD1-CB 4.25Å; F43-P45 HydrophobicContact CD1-CG 3.78Å; F43-P45 HydrophobicContact CE1-CB 3.68Å; F43-P45 HydrophobicContact CE1-CG 3.73Å; F43-D48 HydrophobicContact CE2-CB 4.48Å; F43-D48 HydrophobicContact CZ-CB 4.39Å; F43-D48 WeakPolarHBondContact CZ-OD1 3.4Å; F43-D49 CarbonylContact C-O 3.5Å; F43-D49 WeakPolarHBondContact CA-O 3.32Å; F43-T50 VanDerWaalsContact CD2-OG1 3.31Å; F43-T50 WeakPolarHBondContact CD2-OG1 3.21Å; F43-V64 HydrophobicContact CB-CG2 4.2Å; F43-V64 HydrophobicContact CD1-CB 4.12Å; F43-V64 HydrophobicContact CD1-CG1 4.27Å; F43-V64 HydrophobicContact CD1-CG2 3.11Å; F43-V64 HydrophobicContact CD2-CG2 3.77Å; F43-V64 HydrophobicContact CE1-CB 3.64Å; F43-V64 HydrophobicContact CE1-CG1 3.62Å; F43-V64 HydrophobicContact CE1-CG2 3.15Å; F43-V64 HydrophobicContact CE2-CB 4.38Å; F43-V64 HydrophobicContact CE2-CG2 3.85Å; F43-V64 HydrophobicContact CG-CG2 3.4Å; F43-V64 VanDerWaalsContact CG-CG2 3.4Å; F43-V64 HydrophobicContact CZ-CB 3.8Å; F43-V64 HydrophobicContact CZ-CG1 4.1Å; F43-V64 HydrophobicContact CZ-CG2 3.54Å; F43-V71 HydrophobicContact CB-CG1 4.49Å
44	H	90.8	Very high	90.7	Very high	45 Å²	45	67.9 Å²	67.9	21%	0.208	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	105.1	177.7	-163.8	-48.6	0	0	0	110.9	P25 Y46 N47 D48 D49	P25-H44 HydrophobicContact CB-CB 4.22Å; H44-Y46 VanDerWaalsContact C-N 3.27Å; H44-Y46 WeakPolarHBondContact CE1-CB 3.45Å; H44-Y46 WeakPolarHBondContact ND1-CB 3.43Å; H44-Y46 PolarHBondContact ND1-N 2.66Å; H44-Y46 PolarHBondContact O-N 3.11Å; H44-N47 WeakPolarHBondContact CB-OD1 3.41Å; H44-N47 PolarHBondContact O-N 3.32Å; H44-N47 PolarHBondContact O-OD1 2.8Å; H44-D48 WeakPolarHBondContact O-CA 3.24Å; H44-D48 PolarHBondContact O-N 2.86Å; H44-D49 HydrophobicContact CB-CB 4.38Å; H44-D49 PolarHBondContact N-O 2.83Å; H44-D49 PolarHBondContact O-N 3.12Å
45	P	88	Confident	91.2	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.006	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.4	-171	-14.2	26.9	0	0	0	115.9	F21 T22 Y24 F43	F21-P45 HydrophobicContact CD1-CB 3.76Å; F21-P45 HydrophobicContact CD1-CG 3.97Å; F21-P45 HydrophobicContact CD2-CG 4.5Å; F21-P45 HydrophobicContact CE1-CB 3.61Å; F21-P45 HydrophobicContact CE1-CG 3.67Å; F21-P45 HydrophobicContact CE2-CG 4.29Å; F21-P45 HydrophobicContact CG-CG 4.38Å; F21-P45 HydrophobicContact CZ-CB 4.31Å; F21-P45 HydrophobicContact CZ-CG 3.86Å; F21-P45 WeakPolarHBondContact O-CG 3.17Å; T22-P45 HydrophobicContact CG2-CB 4.29Å; Y24-P45 WeakPolarHBondContact O-CD 3.48Å; F43-P45 HydrophobicContact CD1-CB 4.25Å; F43-P45 HydrophobicContact CD1-CG 3.78Å; F43-P45 HydrophobicContact CE1-CB 3.68Å; F43-P45 HydrophobicContact CE1-CG 3.73Å
46	Y	89	Confident	91.7	Very high	180 Å²	180	63.8 Å²	63.8	71%	0.706	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-45.8	174.3	-178.9	-111.3	0	0	0	113.7	T22 H44	T22-Y46 WeakPolarHBondContact O-CB 3.29Å; H44-Y46 VanDerWaalsContact C-N 3.27Å; H44-Y46 WeakPolarHBondContact CE1-CB 3.45Å; H44-Y46 WeakPolarHBondContact ND1-CB 3.43Å; H44-Y46 PolarHBondContact ND1-N 2.66Å; H44-Y46 PolarHBondContact O-N 3.11Å
47	N	91.9	Very high	92	Very high	90 Å²	90	65.2 Å²	65.2	48%	0.481	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	8.6	-172.2	63.4	-13.9	0	0	0	112.8	H44 D49	H44-N47 WeakPolarHBondContact CB-OD1 3.41Å; H44-N47 PolarHBondContact O-N 3.32Å; H44-N47 PolarHBondContact O-OD1 2.8Å; N47-D49 PolarHBondContact O-N 3.15Å; N47-D49 VanDerWaalsContact O-N 3.15Å; N47-D49 WeakPolarHBondContact OD1-CB 3.44Å; N47-D49 PolarHBondContact OD1-N 2.86Å
48	D	90.3	Very high	92.1	Very high	86 Å²	86	65 Å²	65	46%	0.46	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	26.5	-178.1	-63	-44.3	0	0	0	114	F43 H44 K66	F43-D48 HydrophobicContact CE2-CB 4.48Å; F43-D48 HydrophobicContact CZ-CB 4.39Å; F43-D48 WeakPolarHBondContact CZ-OD1 3.4Å; H44-D48 WeakPolarHBondContact O-CA 3.24Å; H44-D48 PolarHBondContact O-N 2.86Å; D48-K66 WeakPolarHBondContact OD1-CE 3.46Å; D48-K66 IonicContact OD1-NZ 3.6Å; D48-K66 PolarHBondContact OD1-NZ 2.86Å; D48-K66 IonicContact OD2-NZ 2.86Å; D48-K66 PolarHBondContact OD2-NZ 2.82Å
49	D	91.4	Very high	92.2	Very high	60 Å²	60	65.6 Å²	65.6	32%	0.321	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.1	178.1	-173.3	27.6	0	0	0	110.6	F43 H44 N47 K51	F43-D49 CarbonylContact C-O 3.5Å; F43-D49 WeakPolarHBondContact CA-O 3.32Å; H44-D49 HydrophobicContact CB-CB 4.38Å; H44-D49 PolarHBondContact N-O 2.83Å; H44-D49 PolarHBondContact O-N 3.12Å; N47-D49 PolarHBondContact O-N 3.15Å; N47-D49 VanDerWaalsContact O-N 3.15Å; N47-D49 WeakPolarHBondContact OD1-CB 3.44Å; N47-D49 PolarHBondContact OD1-N 2.86Å; D49-K51 WeakPolarHBondContact OD2-CE 3.37Å; D49-K51 IonicContact OD2-NZ 2.55Å
50	T	92.8	Very high	92.3	Very high	48 Å²	48	62.1 Å²	62.1	29%	0.294	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.3	178.7	-48	0	0	0	0	109.5	N42 F43 Y52 L62	N42-T50 WeakPolarHBondContact O-CA 3.38Å; F43-T50 VanDerWaalsContact CD2-OG1 3.31Å; F43-T50 WeakPolarHBondContact CD2-OG1 3.21Å; T50-Y52 HydrophobicContact CG2-CD2 4.14Å; T50-Y52 HydrophobicContact CG2-CE2 3.4Å; T50-Y52 VanDerWaalsContact CG2-CE2 3.4Å; T50-L62 HydrophobicContact CG2-CB 4.12Å; T50-L62 HydrophobicContact CG2-CD1 3.95Å
51	K	93.4	Very high	92.3	Very high	109 Å²	109	65.2 Å²	65.2	47%	0.474	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.1	176.1	-63.1	-175.2	-177.3	177.6	0	110.2	W39 G41 N42 D49	W39-K51 HydrophobicContact CH2-CB 4.04Å; W39-K51 HydrophobicContact CZ2-CB 4.38Å; G41-K51 CarbonylContact C-O 3.56Å; G41-K51 WeakPolarHBondContact CA-O 3.34Å; N42-K51 PolarHBondContact N-O 2.91Å; N42-K51 PolarHBondContact O-N 2.97Å; D49-K51 WeakPolarHBondContact OD2-CE 3.37Å; D49-K51 IonicContact OD2-NZ 2.55Å
52	Y	94.6	Very high	92.4	Very high	71 Å²	71	65.9 Å²	65.9	28%	0.278	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.1	178.4	-68.5	-86.7	0	0	0	110.2	T50 L62	T50-Y52 HydrophobicContact CG2-CD2 4.14Å; T50-Y52 HydrophobicContact CG2-CE2 3.4Å; T50-Y52 VanDerWaalsContact CG2-CE2 3.4Å; Y52-L62 HydrophobicContact CD1-CD1 4.47Å; Y52-L62 HydrophobicContact CE1-CB 4.34Å; Y52-L62 HydrophobicContact CE1-CD1 3.96Å; Y52-L62 HydrophobicContact CE1-CG 3.79Å; Y52-L62 PolarHBondContact OH-N 2.93Å
53	N	94.5	Very high	92.4	Very high	49 Å²	49	67.6 Å²	67.6	26%	0.262	34%	0.343	S	S	.	.			trans	-74.7	133.4	159.4	-175.1	-29	0	0	0	108.6	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.65Å; W39-N53 HydrophobicContact CZ3-CB 3.77Å; W39-N53 VanDerWaalsContact CZ3-N 3.33Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 2.98Å; I40-N53 WeakPolarHBondContact O-CB 3.2Å; I40-N53 PolarHBondContact O-N 2.8Å; N53-K55 PolarHBondContact O-N 3Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.39Å; N53-K57 PolarHBondContact O-N 2.02Å
54	E	93.9	Very high	92.4	Very high	130 Å²	130	68.6 Å²	68.6	61%	0.607	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-54.5	-31.7	179.6	-67.9	-60.6	141.7	0	0	112.7	F56 K57	E54-F56 PolarHBondContact O-N 3.37Å; E54-K57 WeakPolarHBondContact O-CB 3.34Å; E54-K57 PolarHBondContact O-N 2.78Å; E54-K57 IonicContact OE1-NZ 2.69Å; E54-K57 PolarHBondContact OE1-NZ 2.96Å; E54-K57 WeakPolarHBondContact OE2-CD 3.49Å; E54-K57 IonicContact OE2-NZ 3.86Å; E54-K57 PolarHBondContact OE2-NZ 2.93Å; E54-K57 VanDerWaalsContact OE2-NZ 3.08Å
55	K	92.1	Very high	92.4	Very high	134 Å²	134	70.2 Å²	70.2	58%	0.583	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-61.4	-30.3	175.8	-177.4	176.1	177.9	-179.4	0	113.8	E38 N53	E38-K55 IonicContact OE1-NZ 2.66Å; E38-K55 IonicContact OE2-NZ 2.77Å; E38-K55 PolarHBondContact OE2-NZ 2.83Å; N53-K55 PolarHBondContact O-N 3Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 2.85Å
56	F	93.3	Very high	92.4	Very high	6 Å²	6	74.9 Å²	74.9	3%	0.026	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-105.1	-5.1	-175.4	-66	-86.7	0	0	0	112.8	K30 E38 I40 N53 E54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.36Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 3.99Å; E38-F56 HydrophobicContact CB-CE2 4.5Å; E38-F56 HydrophobicContact CB-CZ 4.49Å; I40-F56 HydrophobicContact CB-CD2 4.35Å; I40-F56 HydrophobicContact CB-CG 4.32Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.11Å; I40-F56 HydrophobicContact CG1-CG 4.28Å; I40-F56 HydrophobicContact CG1-CZ 4.01Å; I40-F56 HydrophobicContact CG2-CB 3.9Å; I40-F56 HydrophobicContact CG2-CD1 4.17Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.91Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.39Å; E54-F56 PolarHBondContact O-N 3.37Å; F56-G58 PolarHBondContact O-N 3.14Å; F56-K59 PolarHBondContact O-N 2.87Å; F56-A60 HydrophobicContact CB-CB 4.06Å; F56-A60 PolarHBondContact O-N 3.44Å
57	K	90.9	Very high	92.4	Very high	124 Å²	124	71.6 Å²	71.6	54%	0.539	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-61.4	128.1	178.2	-160.2	174.6	-172	173.3	0	109.9	N53 E54 K59	N53-K57 PolarHBondContact O-N 2.02Å; E54-K57 WeakPolarHBondContact O-CB 3.34Å; E54-K57 PolarHBondContact O-N 2.78Å; E54-K57 IonicContact OE1-NZ 2.69Å; E54-K57 PolarHBondContact OE1-NZ 2.96Å; E54-K57 WeakPolarHBondContact OE2-CD 3.49Å; E54-K57 IonicContact OE2-NZ 3.86Å; E54-K57 PolarHBondContact OE2-NZ 2.93Å; E54-K57 VanDerWaalsContact OE2-NZ 3.08Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 2.89Å
58	G	90.8	Very high	92.3	Very high	76 Å²	76	68.7 Å²	68.7	78%	0.784	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-11.8	-175.7	0	0	0	0	0	115.2	F56	F56-G58 PolarHBondContact O-N 3.14Å
59	K	93.9	Very high	92.4	Very high	51 Å²	51	66.3 Å²	66.3	22%	0.222	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-42.9	172.3	-166.6	170.8	-167.6	172.9	0	112.3	F56 K57 S76 D82	F56-K59 PolarHBondContact O-N 2.87Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 2.89Å; K59-S76 WeakPolarHBondContact CE-O 3.23Å; K59-S76 WeakPolarHBondContact CG-O 3.13Å; K59-S76 PolarHBondContact O-N 2.96Å; K59-S76 PolarHBondContact O-OG 3.13Å; K59-S76 VanDerWaalsContact O-OG 3.13Å; K59-D82 WeakPolarHBondContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD2 3.46Å; K59-D82 IonicContact NZ-OD1 3.08Å; K59-D82 PolarHBondContact NZ-OD1 3.37Å; K59-D82 IonicContact NZ-OD2 2.82Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å
60	A	95.3	Very high	92.4	Very high	5 Å²	5	63.9 Å²	63.9	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.5	177.8	0	0	0	0	0	111.3	I40 F56 L73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.8Å; F56-A60 HydrophobicContact CB-CB 4.06Å; F56-A60 PolarHBondContact O-N 3.44Å; A60-L73 HydrophobicContact CB-CD1 3.76Å; A60-E74 CarbonylContact C-O 3.53Å; A60-E74 WeakPolarHBondContact CA-O 3.46Å; A60-L75 HydrophobicContact CB-CD2 3.95Å
61	T	95.5	Very high	92.3	Very high	65 Å²	65	61.6 Å²	61.6	40%	0.399	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.4	169.5	-63	0	0	0	0	108.7	E74	T61-E74 PolarHBondContact N-O 2.91Å; T61-E74 PolarHBondContact O-N 2.84Å
62	L	93.8	Very high	92.3	Very high	14 Å²	14	58.9 Å²	58.9	7%	0.073	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.5	175.2	-63.1	176.2	0	0	0	109.4	W28 T50 Y52 Y72 L73	W28-L62 HydrophobicContact CG-CD2 4.04Å; T50-L62 HydrophobicContact CG2-CB 4.12Å; T50-L62 HydrophobicContact CG2-CD1 3.95Å; Y52-L62 HydrophobicContact CD1-CD1 4.47Å; Y52-L62 HydrophobicContact CE1-CB 4.34Å; Y52-L62 HydrophobicContact CE1-CD1 3.96Å; Y52-L62 HydrophobicContact CE1-CG 3.79Å; Y52-L62 PolarHBondContact OH-N 2.93Å; L62-Y72 WeakPolarHBondContact CA-O 3.01Å; L62-L73 HydrophobicContact CD2-CB 4.02Å; L62-L73 HydrophobicContact CD2-CD1 3.79Å; L62-L73 HydrophobicContact CD2-CG 4.45Å
63	T	92.8	Very high	92.3	Very high	61 Å²	61	55.5 Å²	55.5	37%	0.374	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.2	178.2	-41.7	0	0	0	0	110	V71 Y72	T63-V71 CarbonylContact O-C 3.59Å; T63-Y72 PolarHBondContact N-O 2.81Å; T63-Y72 PolarHBondContact O-N 2.73Å
64	V	91.3	Very high	92.4	Very high	35 Å²	35	56.5 Å²	56.5	21%	0.212	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.4	-177.7	174.8	0	0	0	0	111.8	F21 F43 K66 V71	F21-V64 HydrophobicContact CE1-CG1 3.67Å; F21-V64 HydrophobicContact CZ-CG1 3.78Å; F43-V64 HydrophobicContact CB-CG2 4.2Å; F43-V64 HydrophobicContact CD1-CB 4.12Å; F43-V64 HydrophobicContact CD1-CG1 4.27Å; F43-V64 HydrophobicContact CD1-CG2 3.11Å; F43-V64 HydrophobicContact CD2-CG2 3.77Å; F43-V64 HydrophobicContact CE1-CB 3.64Å; F43-V64 HydrophobicContact CE1-CG1 3.62Å; F43-V64 HydrophobicContact CE1-CG2 3.15Å; F43-V64 HydrophobicContact CE2-CB 4.38Å; F43-V64 HydrophobicContact CE2-CG2 3.85Å; F43-V64 HydrophobicContact CG-CG2 3.4Å; F43-V64 VanDerWaalsContact CG-CG2 3.4Å; F43-V64 HydrophobicContact CZ-CB 3.8Å; F43-V64 HydrophobicContact CZ-CG1 4.1Å; F43-V64 HydrophobicContact CZ-CG2 3.54Å; V64-K66 HydrophobicContact CG1-CG 4.05Å; V64-V71 HydrophobicContact CG2-CG1 3.73Å
65	E	91.3	Very high	92.4	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	95.5	171.7	-173.7	179.2	-151.2	0	0	108.8	S67 S68 S69 T70 Y72	E65-S67 VanDerWaalsContact C-N 3.32Å; E65-S67 WeakPolarHBondContact CG-OG 3.38Å; E65-S67 PolarHBondContact O-N 3.18Å; E65-S68 VanDerWaalsContact CG-OG 3.31Å; E65-S68 WeakPolarHBondContact CG-OG 3.2Å; E65-S68 PolarHBondContact O-N 3.1Å; E65-S68 PolarHBondContact O-OG 3.27Å; E65-S68 PolarHBondContact OE2-OG 2.82Å; E65-S69 PolarHBondContact O-N 3.03Å; E65-T70 PolarHBondContact N-O 2.86Å; E65-T70 PolarHBondContact O-N 2.96Å; E65-Y72 HydrophobicContact CB-CE2 3.9Å; E65-Y72 PolarHBondContact OE2-OH 2.98Å
66	K	87.8	Confident	92.5	Very high	98 Å²	98	45.3 Å²	45.3	43%	0.426	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-36.4	-175.1	-67.1	-177.3	-179.5	177.3	0	112.6	F21 D48 V64 S68 S69	F21-K66 HydrophobicContact CE1-CG 4.34Å; D48-K66 WeakPolarHBondContact OD1-CE 3.46Å; D48-K66 IonicContact OD1-NZ 3.6Å; D48-K66 PolarHBondContact OD1-NZ 2.86Å; D48-K66 IonicContact OD2-NZ 2.86Å; D48-K66 PolarHBondContact OD2-NZ 2.82Å; V64-K66 HydrophobicContact CG1-CG 4.05Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 2.93Å; K66-S69 PolarHBondContact O-N 2.72Å; K66-S69 VanDerWaalsContact O-N 3.14Å
67	S	89.1	Confident	92.4	Very high	111 Å²	111	54.7 Å²	54.7	78%	0.776	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.7	179.7	53.5	0	0	0	0	112.7	E65	E65-S67 VanDerWaalsContact C-N 3.32Å; E65-S67 WeakPolarHBondContact CG-OG 3.38Å; E65-S67 PolarHBondContact O-N 3.18Å
68	S	90.6	Very high	92.4	Very high	30 Å²	30	49.2 Å²	49.2	21%	0.21	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.8	178.8	72.1	0	0	0	0	113	K15 E65 K66 T70	K15-S68 WeakPolarHBondContact CE-O 3.34Å; E65-S68 VanDerWaalsContact CG-OG 3.31Å; E65-S68 WeakPolarHBondContact CG-OG 3.2Å; E65-S68 PolarHBondContact O-N 3.1Å; E65-S68 PolarHBondContact O-OG 3.27Å; E65-S68 PolarHBondContact OE2-OG 2.82Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 2.93Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 3.36Å; S68-T70 VanDerWaalsContact OG-CB 3.23Å; S68-T70 WeakPolarHBondContact OG-CB 3.43Å; S68-T70 PolarHBondContact OG-OG1 2.85Å
69	S	90.6	Very high	92.4	Very high	36 Å²	36	48.8 Å²	48.8	25%	0.252	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	39.8	-170.9	-59.3	0	0	0	0	112.2	A16 F21 E65 K66	A16-S69 PolarHBondContact N-O 3.22Å; F21-S69 WeakPolarHBondContact CE2-O 3.26Å; E65-S69 PolarHBondContact O-N 3.03Å; K66-S69 PolarHBondContact O-N 2.72Å; K66-S69 VanDerWaalsContact O-N 3.14Å
70	T	91.4	Very high	92	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.055	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.5	-175.7	-50.2	0	0	0	0	111	C14 E65 S68 Y72	C14-T70 CarbonylContact O-C 3.5Å; C14-T70 WeakPolarHBondContact O-CA 3.31Å; E65-T70 PolarHBondContact N-O 2.86Å; E65-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 3.36Å; S68-T70 VanDerWaalsContact OG-CB 3.23Å; S68-T70 WeakPolarHBondContact OG-CB 3.43Å; S68-T70 PolarHBondContact OG-OG1 2.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.43Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 3.85Å; T70-Y72 HydrophobicContact CG2-CE2 3.72Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.47Å
71	V	91.3	Very high	91.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137	173	-155.7	0	0	0	0	107.9	S13 C14 F21 I26 F43 T63 V64	S13-V71 CarbonylContact C-O 3.42Å; C14-V71 HydrophobicContact CB-CB 4.46Å; C14-V71 PolarHBondContact N-O 3.21Å; C14-V71 PolarHBondContact O-N 2.99Å; F21-V71 HydrophobicContact CE2-CG2 3.91Å; F21-V71 HydrophobicContact CZ-CG2 3.91Å; I26-V71 HydrophobicContact CB-CG2 4.02Å; I26-V71 HydrophobicContact CD1-CG2 3.35Å; I26-V71 HydrophobicContact CG1-CG2 4.27Å; I26-V71 HydrophobicContact CG2-CB 4.45Å; I26-V71 HydrophobicContact CG2-CG2 3.85Å; F43-V71 HydrophobicContact CB-CG1 4.49Å; T63-V71 CarbonylContact O-C 3.59Å; V64-V71 HydrophobicContact CG2-CG1 3.73Å
72	Y	93.6	Very high	91.4	Very high	52 Å²	52	53.8 Å²	53.8	20%	0.204	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.2	178.9	-58.3	-89.9	0	0	0	110.2	K11 M12 S13 L62 T63 E65 T70	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å; M12-Y72 CarbonylContact O-C 3.52Å; M12-Y72 WeakPolarHBondContact O-CA 3.06Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å; L62-Y72 WeakPolarHBondContact CA-O 3.01Å; T63-Y72 PolarHBondContact N-O 2.81Å; T63-Y72 PolarHBondContact O-N 2.73Å; E65-Y72 HydrophobicContact CB-CE2 3.9Å; E65-Y72 PolarHBondContact OE2-OH 2.98Å; T70-Y72 HydrophobicContact CG2-CD1 4.43Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 3.85Å; T70-Y72 HydrophobicContact CG2-CE2 3.72Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.47Å
73	L	95.4	Very high	91.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.1	166.9	168.1	60	0	0	0	107.8	M12 W28 I40 A60 L62 L75 Y86	M12-L73 HydrophobicContact CE-CB 3.96Å; M12-L73 HydrophobicContact CE-CD2 3.36Å; M12-L73 HydrophobicContact CE-CG 3.56Å; M12-L73 PolarHBondContact N-O 2.98Å; M12-L73 PolarHBondContact O-N 3Å; W28-L73 HydrophobicContact CB-CD2 3.99Å; W28-L73 HydrophobicContact CD2-CB 3.59Å; W28-L73 HydrophobicContact CD2-CD2 3.74Å; W28-L73 HydrophobicContact CD2-CG 4.3Å; W28-L73 VanDerWaalsContact CE2-CB 3.5Å; W28-L73 HydrophobicContact CE3-CB 3.98Å; W28-L73 HydrophobicContact CE3-CD2 3.65Å; W28-L73 HydrophobicContact CE3-CG 4.46Å; W28-L73 HydrophobicContact CG-CB 4.02Å; W28-L73 HydrophobicContact CG-CD2 3.92Å; W28-L73 HydrophobicContact CH2-CB 4.16Å; W28-L73 HydrophobicContact CZ2-CB 3.79Å; W28-L73 HydrophobicContact CZ3-CB 4.25Å; W28-L73 HydrophobicContact CZ3-CD2 4.34Å; I40-L73 HydrophobicContact CD1-CD2 3.63Å; I40-L73 HydrophobicContact CG2-CD1 4.31Å; I40-L73 HydrophobicContact CG2-CD2 4.5Å; A60-L73 HydrophobicContact CB-CD1 3.76Å; L62-L73 HydrophobicContact CD2-CB 4.02Å; L62-L73 HydrophobicContact CD2-CD1 3.79Å; L62-L73 HydrophobicContact CD2-CG 4.45Å; L73-L75 HydrophobicContact CD1-CD2 4.08Å; L73-L75 HydrophobicContact CD1-CG 4.35Å; L73-L75 HydrophobicContact CD2-CG 4.49Å; L73-L75 HydrophobicContact CG-CD2 4.43Å; L73-L75 HydrophobicContact CG-CG 4.24Å; L73-Y86 HydrophobicContact CD2-CD1 4.15Å
74	E	95.4	Very high	91.1	Very high	70 Å²	70	52.2 Å²	52.2	33%	0.327	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.1	169.6	-173.3	173	171.1	0	0	109.7	V10 K11 A60 T61	V10-E74 CarbonylContact O-C 3.6Å; V10-E74 VanDerWaalsContact O-CA 3.26Å; V10-E74 WeakPolarHBondContact O-CA 3.44Å; K11-E74 HydrophobicContact CB-CB 4.5Å; K11-E74 HydrophobicContact CB-CG 4.47Å; K11-E74 HydrophobicContact CG-CB 4.39Å; A60-E74 CarbonylContact C-O 3.53Å; A60-E74 WeakPolarHBondContact CA-O 3.46Å; T61-E74 PolarHBondContact N-O 2.91Å; T61-E74 PolarHBondContact O-N 2.84Å
75	L	94.8	Very high	91.1	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.7	172.6	-65	169	0	0	0	108.1	S9 V10 M12 A60 L73 L78 Y86	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.33Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; V10-L75 HydrophobicContact CG1-CB 4.06Å; V10-L75 HydrophobicContact CG1-CD1 4.38Å; V10-L75 PolarHBondContact N-O 2.74Å; V10-L75 PolarHBondContact O-N 2.9Å; M12-L75 HydrophobicContact CE-CD1 3.96Å; M12-L75 HydrophobicContact CE-CG 4.42Å; A60-L75 HydrophobicContact CB-CD2 3.95Å; L73-L75 HydrophobicContact CD1-CD2 4.08Å; L73-L75 HydrophobicContact CD1-CG 4.35Å; L73-L75 HydrophobicContact CD2-CG 4.49Å; L73-L75 HydrophobicContact CG-CD2 4.43Å; L73-L75 HydrophobicContact CG-CG 4.24Å; L75-L78 HydrophobicContact CB-CD2 3.77Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.19Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.4Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.35Å
76	S	93.8	Very high	91.1	Very high	29 Å²	29	47.2 Å²	47.2	20%	0.203	26%	0.257	C	S	.	.			trans	-102.3	156.2	179.5	62.5	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.46Å; K59-S76 WeakPolarHBondContact CE-O 3.23Å; K59-S76 WeakPolarHBondContact CG-O 3.13Å; K59-S76 PolarHBondContact O-N 2.96Å; K59-S76 PolarHBondContact O-OG 3.13Å; K59-S76 VanDerWaalsContact O-OG 3.13Å; S76-L78 PolarHBondContact O-N 2.89Å
77	R	91.6	Very high	91.3	Very high	203 Å²	203	45 Å²	45	77%	0.766	25%	0.246	S	C	*	.	S	Bend	trans	52.2	53.5	174.1	-56	177.3	-177	176.6	1.1	111.8	A8	A8-R77 PolarHBondContact O-N 3.49Å
78	L	90.9	Very high	91.3	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.042	21%	0.21	C	C	.	.			trans	-59.8	138.7	-176	-70	168.3	0	0	0	111.7	V4 G7 A8 V10 L75 S76 D82 L107	V4-L78 HydrophobicContact CB-CD1 3.97Å; V4-L78 HydrophobicContact CG1-CD1 3.48Å; V4-L78 VanDerWaalsContact CG1-CD1 3.48Å; V4-L78 HydrophobicContact CG2-CD1 4.47Å; G7-L78 PolarHBondContact N-O 2.71Å; A8-L78 WeakPolarHBondContact O-CB 3.49Å; A8-L78 WeakPolarHBondContact O-CG 3.23Å; A8-L78 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 3.97Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.29Å; L75-L78 HydrophobicContact CB-CD2 3.77Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 PolarHBondContact O-N 2.89Å; L78-D82 WeakPolarHBondContact CA-OD2 3.37Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; L78-L107 HydrophobicContact CD1-CD2 4.2Å; L78-L107 HydrophobicContact CD2-CD2 4.11Å
79	T	90.3	Very high	91.1	Very high	67 Å²	67	39 Å²	39	41%	0.411	21%	0.206	S	C	.	.			trans	-119.2	170	172.6	63.3	0	0	0	0	109.6	D81 D82	T79-D81 PolarHBondContact O-N 3.37Å; T79-D81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 3.08Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 3.03Å; T79-D82 PolarHBondContact OG1-OD2 3.14Å
80	S	86.3	Confident	90.9	Very high	101 Å²	101	40.5 Å²	40.5	71%	0.706	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-54.2	-29.9	174.2	52.6	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 2.87Å; S80-S83 WeakPolarHBondContact O-CB 3.38Å; S80-S83 PolarHBondContact O-N 3.05Å
81	D	86.9	Confident	90.2	Very high	118 Å²	118	46 Å²	46	63%	0.631	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-68.6	-15.2	179.7	-62.8	-19.3	0	0	0	112.9	K30 T79	K30-D81 PolarHBondContact NZ-O 2.9Å; T79-D81 PolarHBondContact O-N 3.37Å; T79-D81 VanDerWaalsContact O-N 3.11Å
82	D	89.6	Confident	89.1	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.037	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-86.9	-7.5	176.8	-56.2	-50.3	0	0	0	114	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.86Å; K59-D82 WeakPolarHBondContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD2 3.46Å; K59-D82 IonicContact NZ-OD1 3.08Å; K59-D82 PolarHBondContact NZ-OD1 3.37Å; K59-D82 IonicContact NZ-OD2 2.82Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å; L78-D82 WeakPolarHBondContact CA-OD2 3.37Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; T79-D82 PolarHBondContact N-OD2 3.08Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 3.03Å; T79-D82 PolarHBondContact OG1-OD2 3.14Å; S80-D82 PolarHBondContact O-N 2.87Å; D82-A84 PolarHBondContact O-N 3.37Å; D82-Y86 WeakPolarHBondContact O-CE2 3.31Å; D82-Y86 PolarHBondContact O-OH 2.71Å
83	S	90	Very high	87.2	Confident	42 Å²	42	53.5 Å²	53.5	29%	0.294	27%	0.268	S	S	.	.			trans	-66.4	106.1	175.4	-168.5	0	0	0	0	109.7	S80 L108	S80-S83 WeakPolarHBondContact O-CB 3.38Å; S80-S83 PolarHBondContact O-N 3.05Å; S83-L108 PolarHBondContact OG-OXT 3.15Å
84	A	91.1	Very high	84.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-163.7	168.8	-168.6	0	0	0	0	0	111.4	K30 Q31 D82 Y86 L107	K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.59Å; Q31-A84 WeakPolarHBondContact O-CB 3.45Å; D82-A84 PolarHBondContact O-N 3.37Å; A84-Y86 HydrophobicContact CB-CD2 4.45Å; A84-Y86 HydrophobicContact CB-CE2 3.88Å; A84-L107 PolarHBondContact O-N 2.77Å; A84-L107 VanDerWaalsContact O-N 3.11Å
85	V	91.3	Very high	82.3	Confident	10 Å²	10	68.8 Å²	68.8	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.2	166	-171.9	0	0	0	0	108.8	K30 Q31 Y87 R106	K30-V85 CarbonylContact C-O 3.6Å; Q31-V85 PolarHBondContact N-O 2.83Å; Q31-V85 PolarHBondContact O-N 3.23Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD2 4.23Å; V85-Y87 HydrophobicContact CG1-CE1 3.98Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-R106 HydrophobicContact CG2-CB 4.46Å; V85-R106 HydrophobicContact CG2-CG 4.24Å
86	Y	92.3	Very high	79.9	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.3	177.7	-69.3	-93.2	0	0	0	109.6	M12 M29 K30 I40 L73 L75 D82 A84 H105 L107	M12-Y86 HydrophobicContact CE-CD1 3.91Å; M12-Y86 HydrophobicContact CE-CD2 4.38Å; M12-Y86 HydrophobicContact CE-CG 3.8Å; M12-Y86 HydrophobicContact SD-CD2 4.04Å; M12-Y86 HydrophobicContact SD-CG 3.82Å; M29-Y86 CarbonylContact O-C 3.58Å; M29-Y86 WeakPolarHBondContact O-CA 3.41Å; K30-Y86 HydrophobicContact CB-CD1 4.17Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 WeakPolarHBondContact CE-OH 3.32Å; K30-Y86 HydrophobicContact CG-CD1 4.36Å; K30-Y86 HydrophobicContact CG-CE1 3.78Å; I40-Y86 HydrophobicContact CD1-CD1 3.64Å; I40-Y86 HydrophobicContact CD1-CE1 3.71Å; L73-Y86 HydrophobicContact CD2-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CD1 4.19Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.4Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.35Å; D82-Y86 WeakPolarHBondContact O-CE2 3.31Å; D82-Y86 PolarHBondContact O-OH 2.71Å; A84-Y86 HydrophobicContact CB-CD2 4.45Å; A84-Y86 HydrophobicContact CB-CE2 3.88Å; Y86-H105 PolarHBondContact N-O 3.36Å; Y86-H105 PolarHBondContact O-N 3.17Å; Y86-H105 VanDerWaalsContact O-O 3.11Å; Y86-L107 HydrophobicContact CD2-CB 4.12Å; Y86-L107 HydrophobicContact CE2-CB 4.01Å; Y86-L107 HydrophobicContact CE2-CD2 4.19Å
87	Y	90.4	Very high	77.7	Confident	51 Å²	51	78.8 Å²	78.8	20%	0.2	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.8	179.6	-61.5	-88.8	0	0	0	109.5	W28 M29 Q31 L37 V85 S104	W28-Y87 WeakPolarHBondContact CA-O 3.41Å; M29-Y87 PolarHBondContact N-O 2.92Å; M29-Y87 PolarHBondContact O-N 3.36Å; Q31-Y87 HydrophobicContact CB-CD2 4.26Å; Q31-Y87 HydrophobicContact CB-CE2 3.65Å; Q31-Y87 HydrophobicContact CG-CE2 4.47Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.26Å; Q31-Y87 PolarHBondContact OE1-OH 3.24Å; L37-Y87 HydrophobicContact CD2-CD2 3.65Å; L37-Y87 HydrophobicContact CD2-CE2 4Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD2 4.23Å; V85-Y87 HydrophobicContact CG1-CE1 3.98Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; Y87-S104 VanDerWaalsContact CD1-CB 3.47Å
88	C	90.8	Very high	75.5	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.02	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.5	159.5	69.5	0	0	0	0	110.1	C14 E27 W28 L103	C14-C88 HydrophobicContact CB-CB 3.53Å; C14-C88 WeakPolarHBondContact CB-SG 3.34Å; C14-C88 WeakPolarHBondContact SG-CB 3.48Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.85Å; E27-C88 CarbonylContact O-C 3.56Å; E27-C88 WeakPolarHBondContact O-CA 3.43Å; W28-C88 HydrophobicContact CD2-CB 4Å; W28-C88 HydrophobicContact CE3-CB 4.01Å; W28-C88 HydrophobicContact CH2-CB 4.04Å; W28-C88 HydrophobicContact CZ2-CB 4.02Å; W28-C88 HydrophobicContact CZ3-CB 4.04Å; C88-L103 PolarHBondContact N-O 3.39Å; C88-L103 VanDerWaalsContact N-O 3.07Å; C88-L103 PolarHBondContact O-N 3.19Å
89	A	86.3	Confident	73.2	Confident	14 Å²	14	80 Å²	80	12%	0.116	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	147.9	-177.4	0	0	0	0	0	110.9	I26 E27 M29 N102	I26-A89 CarbonylContact C-O 3.55Å; I26-A89 WeakPolarHBondContact CA-O 3.11Å; E27-A89 PolarHBondContact N-O 3.07Å; E27-A89 PolarHBondContact O-N 3.04Å; M29-A89 HydrophobicContact CE-CB 3.62Å; A89-N102 VanDerWaalsContact CB-OD1 3.26Å; A89-N102 WeakPolarHBondContact CB-OD1 2.89Å
90	R	84.9	Confident	71.1	Confident	66 Å²	66	78.1 Å²	78.1	25%	0.249	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	129.1	168.6	178.1	179.7	66.3	179.6	1	109.7	Y19 Y24 L92 S100	Y19-R90 HydrophobicContact CE2-CG 4.43Å; Y24-R90 HydrophobicContact CD2-CG 4.25Å; Y24-R90 HydrophobicContact CG-CG 3.99Å; R90-L92 PolarHBondContact O-N 3.39Å; R90-S100 PolarHBondContact O-OG 3.48Å; R90-S100 VanDerWaalsContact O-OG 3.14Å
91	W	78.1	Confident	69.4	Low	124 Å²	124	85.2 Å²	85.2	47%	0.47	43%	0.431	S	S	.	.			trans	-77.2	116.8	173.2	-171.1	-90.4	0	0	0	110.9	Y24 P25 E27	Y24-W91 VanDerWaalsContact CD1-O 3.26Å; Y24-W91 WeakPolarHBondContact CD1-O 3.48Å; P25-W91 HydrophobicContact CB-CB 4.48Å; P25-W91 HydrophobicContact CG-CB 3.87Å; P25-W91 HydrophobicContact CG-CG 4.36Å; P25-W91 PolarHBondContact O-N 2.98Å; E27-W91 HydrophobicContact CG-CB 4.23Å; E27-W91 HydrophobicContact CG-CE3 4.08Å; E27-W91 WeakPolarHBondContact OE1-CZ3 2.97Å; E27-W91 WeakPolarHBondContact OE2-CZ3 3.26Å
92	L	67.1	Low	67.7	Low	53 Å²	53	83.8 Å²	83.8	28%	0.277	42%	0.424	S	S	.	.			trans	-109.1	118.7	172.3	-68.7	173.2	0	0	0	108.5	Y24 R90 R94	Y24-L92 HydrophobicContact CD1-CD2 3.98Å; Y24-L92 HydrophobicContact CD2-CD2 4.38Å; Y24-L92 HydrophobicContact CE1-CD2 3.67Å; Y24-L92 HydrophobicContact CE2-CD2 4.07Å; Y24-L92 HydrophobicContact CG-CD2 4.32Å; R90-L92 PolarHBondContact O-N 3.39Å; L92-R94 PolarHBondContact O-N 3.04Å
93	L	55	Low	66.2	Low	157 Å²	157	87.4 Å²	87.4	82%	0.822	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-1.7	-179.1	-74	166.1	0	0	0	115.5
94	R	43.6	Very low	64.7	Low	216 Å²	216	89 Å²	89	82%	0.815	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-10	-171.5	-83.5	-164.9	-173.1	-107.7	2.8	117.9	L92	L92-R94 PolarHBondContact O-N 3.04Å
95	Y	44.3	Very low	63.4	Low	175 Å²	175	91.7 Å²	91.7	69%	0.686	47%	0.466	S	S	*	.			trans	-147.5	99	-176.8	-65.5	-78.3	0	0	0	110.9	L97	Y95-L97 PolarHBondContact O-N 3.33Å; Y95-L97 VanDerWaalsContact O-N 3.12Å
96	G	43.5	Very low	62	Low	79 Å²	79	97 Å²	97	81%	0.814	49%	0.485	S	S	*	.	S	Bend	trans	-56.9	116	158.5	0	0	0	0	0	107.7
97	L	48.4	Very low	60.3	Low	160 Å²	160	97.4 Å²	97.4	84%	0.838	49%	0.487	S	S	*	.	S	Bend	trans	61.7	92	174.9	-54.4	161.5	0	0	0	114.2	Y95	Y95-L97 PolarHBondContact O-N 3.33Å; Y95-L97 VanDerWaalsContact O-N 3.12Å
98	L	44	Very low	58.7	Low	169 Å²	169	99.4 Å²	99.4	89%	0.885	50%	0.501	S	S	*	.	S	Bend	trans	148.5	113.4	144.3	-77.6	153.9	0	0	0	110.5
99	G	43.3	Very low	57.1	Low	69 Å²	69	104.3 Å²	104.3	71%	0.711	53%	0.525	S	S	*	.			trans	131.7	-5.8	158.8	0	0	0	0	0	118.4
100	S	45.4	Very low	55.5	Low	27 Å²	27	109 Å²	109	19%	0.189	55%	0.546	C	S	.	.	S	Bend	trans	-80.7	127.8	167.8	-67.4	0	0	0	0	108.9	R90 N102	R90-S100 PolarHBondContact O-OG 3.48Å; R90-S100 VanDerWaalsContact O-OG 3.14Å; S100-N102 VanDerWaalsContact C-N 3.29Å; S100-N102 PolarHBondContact O-N 3.01Å; S100-N102 PolarHBondContact O-OD1 2.83Å
101	R	51.3	Low	53.9	Low	250 Å²	250	111.4 Å²	111.4	94%	0.943	56%	0.563	S	S	*	*			trans	-61.7	95.7	167.9	-68.9	-172.8	-170.5	-159.5	3.3	107.4
102	N	52.1	Low	52.5	Low	88 Å²	88	110.6 Å²	110.6	47%	0.471	57%	0.568	S	S	.	*			trans	-77	123.9	178.7	-63.4	-31.1	0	0	0	108	A89 S100	A89-N102 VanDerWaalsContact CB-OD1 3.26Å; A89-N102 WeakPolarHBondContact CB-OD1 2.89Å; S100-N102 VanDerWaalsContact C-N 3.29Å; S100-N102 PolarHBondContact O-N 3.01Å; S100-N102 PolarHBondContact O-OD1 2.83Å
103	L	56.7	Low	51.6	Low	83 Å²	83	114.3 Å²	114.3	44%	0.435	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.7	120.2	168	-82.4	148.1	0	0	0	107.2	K15 C88	K15-L103 WeakPolarHBondContact O-CD1 3.35Å; C88-L103 PolarHBondContact N-O 3.39Å; C88-L103 VanDerWaalsContact N-O 3.07Å; C88-L103 PolarHBondContact O-N 3.19Å
104	S	59.6	Low	51.3	Low	74 Å²	74	111.4 Å²	111.4	52%	0.517	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.5	127.8	-179.5	63.1	0	0	0	0	110.9	Y87	Y87-S104 VanDerWaalsContact CD1-CB 3.47Å
105	H	62.6	Low	51.9	Low	58 Å²	58	103.9 Å²	103.9	27%	0.269	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.1	126	172	-69	70.7	0	0	0	108.6	M12 S13 Y86	M12-H105 HydrophobicContact CG-CB 4.41Å; M12-H105 HydrophobicContact SD-CB 4.04Å; S13-H105 PolarHBondContact O-CE1 3.36Å; S13-H105 PolarHBondContact O-NE2 3.4Å; S13-H105 VanDerWaalsContact O-NE2 3.15Å; Y86-H105 PolarHBondContact N-O 3.36Å; Y86-H105 PolarHBondContact O-N 3.17Å; Y86-H105 VanDerWaalsContact O-O 3.11Å
106	R	62.6	Low	52.5	Low	122 Å²	122	98.5 Å²	98.5	46%	0.46	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.1	178.3	178.2	178.4	-88	-107.1	3.6	109.6	A1 E2 V85 L108	A1-R106 CarbonylContact C-O 3.56Å; A1-R106 WeakPolarHBondContact CA-O 3.18Å; E2-R106 PolarHBondContact N-O 3.12Å; E2-R106 VanDerWaalsContact N-O 3.07Å; V85-R106 HydrophobicContact CG2-CB 4.46Å; V85-R106 HydrophobicContact CG2-CG 4.24Å; R106-L108 HydrophobicContact CG-CD2 4.23Å; R106-L108 HydrophobicContact CG-CG 4.47Å
107	L	55.5	Low	53.2	Low	8 Å²	8	100.1 Å²	100.1	4%	0.042	52%	0.521	C	S	.	.	B	Isolated β-bridge	trans	-92.5	130.1	170	-153.4	78.4	0	0	0	108.2	E2 V4 V10 L78 A84 Y86	E2-L107 HydrophobicContact CB-CD1 4.19Å; V4-L107 HydrophobicContact CG2-CD1 3.83Å; V4-L107 HydrophobicContact CG2-CG 4.41Å; V10-L107 HydrophobicContact CB-CD1 4.16Å; V10-L107 HydrophobicContact CG1-CD1 3.86Å; V10-L107 HydrophobicContact CG1-CD2 4.13Å; V10-L107 HydrophobicContact CG2-CD1 3.77Å; L78-L107 HydrophobicContact CD1-CD2 4.2Å; L78-L107 HydrophobicContact CD2-CD2 4.11Å; A84-L107 PolarHBondContact O-N 2.77Å; A84-L107 VanDerWaalsContact O-N 3.11Å; Y86-L107 HydrophobicContact CD2-CB 4.12Å; Y86-L107 HydrophobicContact CE2-CB 4.01Å; Y86-L107 HydrophobicContact CE2-CD2 4.19Å
108	L	57.3	Low	53.7	Low	93 Å²	93	94.6 Å²	94.6	49%	0.487	49%	0.492	S	S	.	.			trans	-108.1	0	175.3	-70.3	-177.1	0	0	0	110	A1 E2 L3 V4 S83 R106	A1-L108 HydrophobicContact CB-CD1 3.59Å; A1-L108 HydrophobicContact CB-CG 3.9Å; E2-L108 PolarHBondContact O-N 2.69Å; L3-L108 WeakPolarHBondContact CA-O 3.48Å; L3-L108 HydrophobicContact CD2-CB 3.73Å; L3-L108 HydrophobicContact CD2-CD1 4.5Å; L3-L108 HydrophobicContact CG-CB 4.3Å; V4-L108 PolarHBondContact N-O 3.33Å; S83-L108 PolarHBondContact OG-OXT 3.15Å; R106-L108 HydrophobicContact CG-CD2 4.23Å; R106-L108 HydrophobicContact CG-CG 4.47Å

Retrieved 108 of 108 residues in 30.4 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).