X5J4W9_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4W9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 101 aa.

						>X5J4W9_MOUSE|X5J4W9
PELVRPGVSVKISCKGSGYTFTDYAMHWVKQSHAKSLEWIGVISTYSGNTNYNQKFKGKATMTVDKSSSTAYMELARLTSEDSAIYYCARGGYGNYLGWFA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	71.4	Confident	87.4	Confident	187 Å²	187	109.5 Å²	109.5	100%	1.214	61%	0.606	S	S	*	*				0	127.8	0	20.3	-34.1	0	0	0	107.9
2	E	80.3	Confident	88.1	Confident	148 Å²	148	103.8 Å²	103.8	69%	0.692	57%	0.573	S	S	*	*			trans	-105.8	125.7	-178.4	-165.5	178.8	164.3	0	0	109	V4	E2-V4 HydrophobicContact CG-CG1 3.94Å
3	L	83.8	Confident	88.9	Confident	178 Å²	178	102 Å²	102	93%	0.932	57%	0.572	S	S	*	*			trans	-101.7	122.3	177	-76.9	164	0	0	0	108.5
4	V	85.6	Confident	89.5	Confident	59 Å²	59	95.6 Å²	95.6	36%	0.358	54%	0.538	S	S	.	.			trans	-130	149.7	-174.5	-62.5	0	0	0	0	111	E2 V8 V10 L78	E2-V4 HydrophobicContact CG-CG1 3.94Å; V4-V8 HydrophobicContact CB-CG2 3.92Å; V4-V8 HydrophobicContact CG2-CG2 4.36Å; V4-V10 HydrophobicContact CB-CG2 4.09Å; V4-V10 HydrophobicContact CG1-CG2 3.66Å; V4-V10 HydrophobicContact CG2-CG2 3.95Å; V4-L78 HydrophobicContact CG2-CD1 3.54Å
5	R	85.4	Confident	90	Very high	208 Å²	208	99.3 Å²	99.3	79%	0.785	55%	0.546	S	S	*	.			trans	-71.8	144.4	177.4	-65	-178.7	-177.9	-177.6	0.8	109.9	V8	R5-V8 HydrophobicContact CB-CG1 4.33Å; R5-V8 WeakPolarHBondContact O-CG2 3.17Å
6	P	87.4	Confident	90.3	Very high	110 Å²	110	93.6 Å²	93.6	71%	0.714	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	147.6	172	-24.4	34	0	0	0	112	V8	P6-V8 VanDerWaalsContact C-N 3.31Å; P6-V8 PolarHBondContact O-N 3.44Å
7	G	89.1	Confident	90.5	Very high	52 Å²	52	93.9 Å²	93.9	54%	0.536	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-12	177.8	0	0	0	0	0	115.4	L78	G7-L78 PolarHBondContact N-O 2.66Å
8	V	93.1	Very high	90.6	Very high	61 Å²	61	93.7 Å²	93.7	37%	0.37	55%	0.55	S	S	.	.			trans	-81.3	158	174.5	-49.9	0	0	0	0	111.5	V4 R5 P6 V10 R77 L78	V4-V8 HydrophobicContact CB-CG2 3.92Å; V4-V8 HydrophobicContact CG2-CG2 4.36Å; R5-V8 HydrophobicContact CB-CG1 4.33Å; R5-V8 WeakPolarHBondContact O-CG2 3.17Å; P6-V8 VanDerWaalsContact C-N 3.31Å; P6-V8 PolarHBondContact O-N 3.44Å; V8-V10 HydrophobicContact CG2-CG2 4.3Å; V8-R77 PolarHBondContact O-N 2.96Å; V8-L78 WeakPolarHBondContact O-CG 3.47Å; V8-L78 PolarHBondContact O-N 2.84Å
9	S	94.8	Very high	90.6	Very high	61 Å²	61	92.2 Å²	92.2	43%	0.427	53%	0.534	S	S	.	.			trans	-92.5	146.5	167.5	-56.9	0	0	0	0	110.2	E74 L75 A76	S9-E74 WeakPolarHBondContact CB-OE1 3.48Å; S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.42Å; S9-A76 WeakPolarHBondContact OG-CA 3.31Å
10	V	94.6	Very high	90.7	Very high	17 Å²	17	91.6 Å²	91.6	10%	0.103	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.3	175.8	173.4	0	0	0	0	110	V4 V8 I12 E74 L75 L78	V4-V10 HydrophobicContact CB-CG2 4.09Å; V4-V10 HydrophobicContact CG1-CG2 3.66Å; V4-V10 HydrophobicContact CG2-CG2 3.95Å; V8-V10 HydrophobicContact CG2-CG2 4.3Å; V10-I12 HydrophobicContact CG1-CG1 4.27Å; V10-E74 CarbonylContact O-C 3.53Å; V10-E74 VanDerWaalsContact O-CA 3.28Å; V10-E74 WeakPolarHBondContact O-CA 3.44Å; V10-L75 PolarHBondContact N-O 2.8Å; V10-L75 PolarHBondContact O-N 2.77Å; V10-L78 HydrophobicContact CB-CD1 3.86Å; V10-L78 HydrophobicContact CG2-CD1 3.37Å
11	K	96	Very high	90.9	Very high	123 Å²	123	87.6 Å²	87.6	54%	0.535	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.1	176.2	-172.7	176.4	-179.1	179.1	0	110.1	Y72	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CG 3.4Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å
12	I	96.2	Very high	92	Very high	41 Å²	41	80.6 Å²	80.6	21%	0.21	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.9	178.2	-56.1	165.8	0	0	0	108.4	V10 W28 Y72 M73 L75 Y86	V10-I12 HydrophobicContact CG1-CG1 4.27Å; I12-W28 HydrophobicContact CB-CH2 4.4Å; I12-W28 HydrophobicContact CB-CZ3 4.14Å; I12-W28 HydrophobicContact CG2-CH2 4.09Å; I12-W28 HydrophobicContact CG2-CZ3 3.66Å; I12-Y72 CarbonylContact O-C 3.57Å; I12-Y72 WeakPolarHBondContact O-CA 3.49Å; I12-M73 HydrophobicContact CD1-CE 3.7Å; I12-M73 PolarHBondContact N-O 3.16Å; I12-M73 PolarHBondContact O-N 3Å; I12-L75 HydrophobicContact CD1-CD1 4.04Å; I12-Y86 HydrophobicContact CD1-CD1 4.31Å; I12-Y86 HydrophobicContact CD1-CD2 4.11Å; I12-Y86 HydrophobicContact CD1-CG 3.87Å
13	S	97.4	Very high	92.5	Very high	81 Å²	81	77.8 Å²	77.8	57%	0.566	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.6	178.6	62.5	0	0	0	0	112.1	A71 Y72	S13-A71 CarbonylContact C-O 3.51Å; S13-Y72 VanDerWaalsContact CB-CE1 3.49Å
14	C	97.5	Very high	92.8	Very high	13 Å²	13	72.7 Å²	72.7	9%	0.088	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	112.6	173	179.8	0	0	0	0	110.4	M26 W28 T70 A71 C88	C14-M26 VanDerWaalsContact SG-SD 3.67Å; C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 4.08Å; C14-W28 HydrophobicContact CB-CZ3 4.44Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; C14-A71 PolarHBondContact N-O 2.63Å; C14-A71 PolarHBondContact O-N 3.49Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.17Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.22Å
15	K	97.3	Very high	93.2	Very high	151 Å²	151	70 Å²	70	66%	0.657	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.6	-178.4	-172.5	174	-177.1	178.2	0	110.9	S68 S69 T70	K15-S68 WeakPolarHBondContact CE-O 3.45Å; K15-S69 WeakPolarHBondContact CA-O 3.24Å; K15-T70 HydrophobicContact CB-CG2 4.48Å
16	G	94.2	Very high	93.7	Very high	8 Å²	8	60.3 Å²	60.3	8%	0.082	37%	0.368	C	S	.	.			trans	-76.6	145.9	171	0	0	0	0	0	111.6	Y19 S69	G16-Y19 WeakPolarHBondContact CA-OH 3.03Å; G16-S69 PolarHBondContact N-O 3.28Å
17	S	93.8	Very high	94.1	Very high	98 Å²	98	55.2 Å²	55.2	69%	0.685	34%	0.335	S	S	*	.			trans	-151.1	149.9	175.1	61.6	0	0	0	0	111.2	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.42Å; S17-Y19 WeakPolarHBondContact O-CE1 3.43Å
18	G	93.3	Very high	94.5	Very high	91 Å²	91	52.9 Å²	52.9	94%	0.938	31%	0.31	S	S	*	.	S	Bend	trans	78.1	13.8	177.6	0	0	0	0	0	115.6
19	Y	89.7	Confident	94.6	Very high	64 Å²	64	50.3 Å²	50.3	25%	0.251	29%	0.294	S	S	.	.	S	Bend	trans	-157	165	175.7	61.3	-86.6	0	0	0	111	G16 S17 F21 Y24 R90	G16-Y19 WeakPolarHBondContact CA-OH 3.03Å; S17-Y19 WeakPolarHBondContact O-CD1 3.42Å; S17-Y19 WeakPolarHBondContact O-CE1 3.43Å; Y19-F21 HydrophobicContact CE2-CD2 4.18Å; Y19-F21 PolarHBondContact O-N 3.04Å; Y19-Y24 AromaticContact CD2-CD2 3.43Å; Y19-Y24 HydrophobicContact CD2-CD2 3.43Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.43Å; Y19-Y24 AromaticContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CG 4.49Å; Y19-Y24 AromaticContact CE2-CD2 3.7Å; Y19-Y24 HydrophobicContact CE2-CD2 3.7Å; Y19-Y24 HydrophobicContact CE2-CE2 4.26Å; Y19-Y24 HydrophobicContact CE2-CG 4.42Å; Y19-Y24 HydrophobicContact CG-CD2 4.43Å; Y19-Y24 HydrophobicContact CG-CE2 4.17Å; Y19-R90 HydrophobicContact CE2-CG 4.3Å; Y19-R90 VanDerWaalsContact CG-NH1 3.34Å
20	T	93.9	Very high	94.5	Very high	80 Å²	80	48 Å²	48	49%	0.491	28%	0.277	S	S	.	.			trans	-67.1	102.5	170.4	-51.7	0	0	0	0	109.2	T22 D23	T20-T22 PolarHBondContact O-N 3.33Å; T20-T22 VanDerWaalsContact O-N 3.13Å; T20-D23 WeakPolarHBondContact CB-OD2 3.43Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.31Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.49Å; T20-D23 PolarHBondContact O-N 3.01Å
21	F	93.8	Very high	94.5	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.035	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-53.3	-40.6	-170.9	179	-115.5	0	0	0	113.1	Y19 D23 M26 T45 V64 S69 A71	Y19-F21 HydrophobicContact CE2-CD2 4.18Å; Y19-F21 PolarHBondContact O-N 3.04Å; F21-D23 PolarHBondContact O-N 3Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; F21-T45 HydrophobicContact CD1-CG2 4.38Å; F21-T45 HydrophobicContact CD2-CG2 4.43Å; F21-T45 HydrophobicContact CE1-CG2 3.86Å; F21-T45 HydrophobicContact CE2-CG2 3.89Å; F21-T45 HydrophobicContact CZ-CG2 3.57Å; F21-T45 PolarHBondContact O-OG1 3.18Å; F21-V64 HydrophobicContact CE1-CG2 3.44Å; F21-V64 VanDerWaalsContact CE1-CG2 3.44Å; F21-V64 HydrophobicContact CZ-CG2 3.92Å; F21-S69 WeakPolarHBondContact CE2-O 3.41Å; F21-A71 HydrophobicContact CZ-CB 4.21Å
22	T	94	Very high	94.1	Very high	41 Å²	41	45.5 Å²	45.5	25%	0.252	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-68.4	-13.2	-177.9	51	0	0	0	0	115.1	T20 Y24 T45 Y46 K66 Y93	T20-T22 PolarHBondContact O-N 3.33Å; T20-T22 VanDerWaalsContact O-N 3.13Å; T22-Y24 PolarHBondContact O-N 3.15Å; T22-T45 WeakPolarHBondContact CA-OG1 3.42Å; T22-Y46 WeakPolarHBondContact O-CB 3.2Å; T22-K66 HydrophobicContact CG2-CD 4.38Å; T22-K66 HydrophobicContact CG2-CG 4.43Å; T22-Y93 PolarHBondContact O-OH 2.94Å
23	D	91.8	Very high	93.3	Very high	89 Å²	89	51.6 Å²	51.6	48%	0.476	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-81.9	2.1	-176.7	-65.8	-5.2	0	0	0	112.8	T20 F21 Y93	T20-D23 WeakPolarHBondContact CB-OD2 3.43Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.31Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.49Å; T20-D23 PolarHBondContact O-N 3.01Å; F21-D23 PolarHBondContact O-N 3Å; D23-Y93 VanDerWaalsContact C-CE2 3.41Å; D23-Y93 WeakPolarHBondContact O-CD2 3.49Å; D23-Y93 VanDerWaalsContact O-CE2 3.22Å; D23-Y93 WeakPolarHBondContact O-CE2 3.31Å
24	Y	90.7	Very high	92.1	Very high	71 Å²	71	52.5 Å²	52.5	28%	0.278	31%	0.307	S	S	.	.	S	Bend	trans	-135.3	165.8	-172.6	-62.3	-85.6	0	0	0	112.9	Y19 T22 T45 R90 Y93	Y19-Y24 AromaticContact CD2-CD2 3.43Å; Y19-Y24 HydrophobicContact CD2-CD2 3.43Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.43Å; Y19-Y24 AromaticContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CG 4.49Å; Y19-Y24 AromaticContact CE2-CD2 3.7Å; Y19-Y24 HydrophobicContact CE2-CD2 3.7Å; Y19-Y24 HydrophobicContact CE2-CE2 4.26Å; Y19-Y24 HydrophobicContact CE2-CG 4.42Å; Y19-Y24 HydrophobicContact CG-CD2 4.43Å; Y19-Y24 HydrophobicContact CG-CE2 4.17Å; T22-Y24 PolarHBondContact O-N 3.15Å; Y24-T45 WeakPolarHBondContact O-CB 3.43Å; Y24-T45 WeakPolarHBondContact O-CG2 3.3Å; Y24-T45 PolarHBondContact O-N 2.02Å; Y24-T45 PolarHBondContact O-OG1 2.91Å; Y24-R90 HydrophobicContact CD1-CG 3.6Å; Y24-R90 HydrophobicContact CD2-CG 4.16Å; Y24-R90 HydrophobicContact CE1-CG 4.32Å; Y24-R90 HydrophobicContact CG-CG 3.49Å; Y24-R90 VanDerWaalsContact CG-CG 3.49Å; Y24-Y93 PolarHBondContact O-OH 3.33Å
25	A	93.4	Very high	90.6	Very high	2 Å²	2	58.1 Å²	58.1	2%	0.017	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	152	165.4	0	0	0	0	0	110.5	V42 I43 G91 Y93	A25-V42 HydrophobicContact CB-CG2 3.51Å; A25-I43 WeakPolarHBondContact CA-O 3.24Å; A25-G91 PolarHBondContact N-O 2.9Å; A25-G91 PolarHBondContact O-N 3.39Å; A25-Y93 HydrophobicContact CB-CE1 4.39Å
26	M	95.7	Very high	89.9	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.02	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.8	173.6	-170	65.7	70.3	0	0	109.8	C14 F21 V42 I43 T45 A71 C88	C14-M26 VanDerWaalsContact SG-SD 3.67Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; M26-V42 CarbonylContact O-C 3.45Å; M26-V42 VanDerWaalsContact O-CA 3.3Å; M26-V42 WeakPolarHBondContact O-CA 2.98Å; M26-V42 WeakPolarHBondContact O-CG2 3.44Å; M26-I43 HydrophobicContact CB-CG2 3.93Å; M26-I43 PolarHBondContact N-O 2.83Å; M26-I43 PolarHBondContact O-N 2.84Å; M26-T45 HydrophobicContact CB-CG2 4.21Å; M26-A71 HydrophobicContact CB-CB 3.99Å; M26-A71 HydrophobicContact CE-CB 4.42Å; M26-A71 HydrophobicContact CG-CB 3.76Å; M26-C88 HydrophobicContact CG-CB 4.28Å; M26-C88 HydrophobicContact SD-CB 3.75Å
27	H	95.6	Very high	89.7	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.019	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	144.5	174.9	-64.8	-108.1	0	0	0	110.1	W39 G41 C88 A89 W99	H27-W39 AromaticContact ND1-NE1 3.46Å; H27-W39 PolarHBondContact ND1-NE1 2.86Å; H27-G41 WeakPolarHBondContact CA-O 3.28Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 VanDerWaalsContact O-CA 3.24Å; H27-C88 WeakPolarHBondContact O-CA 3.5Å; H27-A89 PolarHBondContact N-O 2.83Å; H27-A89 PolarHBondContact O-N 3.2Å; H27-W99 HydrophobicContact CB-CE3 4.49Å; H27-W99 HydrophobicContact CB-CZ3 4.43Å
28	W	96.7	Very high	89.6	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.011	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.4	174.8	-66.9	92.2	0	0	0	110	I12 C14 I40 G41 M62 A71 M73 Y87 C88	I12-W28 HydrophobicContact CB-CH2 4.4Å; I12-W28 HydrophobicContact CB-CZ3 4.14Å; I12-W28 HydrophobicContact CG2-CH2 4.09Å; I12-W28 HydrophobicContact CG2-CZ3 3.66Å; C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 4.08Å; C14-W28 HydrophobicContact CB-CZ3 4.44Å; W28-I40 HydrophobicContact CB-CB 4.07Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.18Å; W28-I40 PolarHBondContact O-N 2.71Å; W28-G41 PolarHBondContact N-O 3.45Å; W28-M62 HydrophobicContact CB-CE 3.84Å; W28-M62 VanDerWaalsContact CD1-SD 3.53Å; W28-M62 HydrophobicContact CG-CE 3.94Å; W28-M62 HydrophobicContact CG-SD 4.42Å; W28-A71 HydrophobicContact CZ2-CB 4.2Å; W28-M73 HydrophobicContact CB-SD 3.71Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.3Å; W28-M73 HydrophobicContact CD2-CG 4.34Å; W28-M73 HydrophobicContact CD2-SD 3.92Å; W28-M73 HydrophobicContact CE3-CB 3.85Å; W28-M73 HydrophobicContact CE3-CE 3.8Å; W28-M73 HydrophobicContact CE3-SD 4.04Å; W28-M73 HydrophobicContact CG-CB 4.18Å; W28-M73 HydrophobicContact CG-CG 4.5Å; W28-M73 HydrophobicContact CG-SD 3.8Å; W28-M73 HydrophobicContact CH2-CB 3.97Å; W28-M73 HydrophobicContact CZ2-CB 3.77Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.37Å; W28-Y87 WeakPolarHBondContact CA-O 3.48Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.14Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.05Å
29	V	95.5	Very high	89.6	Confident	6 Å²	6	54.1 Å²	54.1	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136.7	-174.1	-176.7	0	0	0	0	109.6	L37 E38 Y86 Y87 W99	V29-L37 HydrophobicContact CG1-CB 3.75Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 WeakPolarHBondContact CA-O 2.93Å; V29-Y86 WeakPolarHBondContact O-CA 3.29Å; V29-Y87 PolarHBondContact N-O 3.44Å; V29-Y87 PolarHBondContact O-N 2.87Å; V29-W99 HydrophobicContact CG2-CE3 4.44Å; V29-W99 HydrophobicContact CG2-CZ3 3.95Å
30	K	94.4	Very high	89.9	Confident	13 Å²	13	51 Å²	51	6%	0.057	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.3	173.3	-176.3	-178.4	178.1	-176.1	0	109.4	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 3.46Å; K30-E38 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 4.03Å; K30-F56 HydrophobicContact CD-CZ 4.02Å; K30-E81 WeakPolarHBondContact CE-O 3.2Å; K30-E81 PolarHBondContact NZ-O 3.15Å; K30-D82 IonicContact NZ-OD1 3.75Å; K30-A84 HydrophobicContact CD-CB 4.11Å; K30-A84 VanDerWaalsContact CE-CB 3.49Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.25Å; K30-Y86 HydrophobicContact CB-CE1 3.96Å; K30-Y86 HydrophobicContact CD-CE1 4.16Å; K30-Y86 HydrophobicContact CG-CD1 4.4Å; K30-Y86 HydrophobicContact CG-CE1 3.84Å
31	Q	92.9	Very high	90	Very high	69 Å²	69	47.2 Å²	47.2	32%	0.322	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	101	170	-170.1	-179.9	30.3	0	0	109.4	L37 A84 I85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.42Å; Q31-I85 HydrophobicContact CB-CB 4.37Å; Q31-I85 PolarHBondContact N-O 3.16Å; Q31-I85 PolarHBondContact O-N 3.26Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.69Å; Q31-Y87 HydrophobicContact CG-CE2 4.46Å; Q31-Y87 PolarHBondContact OE1-OH 3.05Å
32	S	88.6	Confident	90.1	Very high	18 Å²	18	47 Å²	47	13%	0.126	25%	0.252	C	S	.	.			trans	-77.9	148.3	175.6	-53.4	0	0	0	0	110	A34 K35	S32-A34 PolarHBondContact O-N 2.71Å; S32-K35 PolarHBondContact O-N 3.38Å; S32-K35 VanDerWaalsContact O-N 3.15Å
33	H	78.4	Confident	90.2	Very high	169 Å²	169	45.1 Å²	45.1	78%	0.782	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.8	-174.2	-72.6	-151	0	0	0	114.6
34	A	72.4	Confident	90.3	Very high	100 Å²	100	41.2 Å²	41.2	83%	0.826	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.3	6	-176.8	0	0	0	0	0	114.3	S32	S32-A34 PolarHBondContact O-N 2.71Å
35	K	66.7	Low	90.5	Very high	131 Å²	131	37.9 Å²	37.9	57%	0.57	21%	0.207	S	C	*	.	S	Bend	trans	-128.5	157.5	-176.3	-65.7	-177.8	178.7	172.9	0	112.1	S32	S32-K35 PolarHBondContact O-N 3.38Å; S32-K35 VanDerWaalsContact O-N 3.15Å
36	S	82.3	Confident	90.6	Very high	102 Å²	102	45.3 Å²	45.3	71%	0.713	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-57.9	165.5	165	52.9	0	0	0	0	111.4	E38	S36-E38 PolarHBondContact O-N 2.72Å
37	L	90	Very high	90.5	Very high	93 Å²	93	47.9 Å²	47.9	49%	0.487	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	121.5	176.6	-67.5	172.4	0	0	0	110.8	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.75Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; L37-Y87 HydrophobicContact CD2-CD2 4.41Å; L37-Y87 HydrophobicContact CD2-CE2 4.41Å
38	E	92.4	Very high	90.5	Very high	27 Å²	27	49.1 Å²	49.1	13%	0.126	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.4	176.4	-69.4	-171.5	94.7	0	0	109.9	V29 K30 S36 I40 K55	V29-E38 WeakPolarHBondContact CA-O 2.93Å; K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 3.46Å; K30-E38 PolarHBondContact O-N 2.9Å; S36-E38 PolarHBondContact O-N 2.72Å; E38-I40 PolarHBondContact O-N 2.75Å; E38-K55 IonicContact OE1-NZ 2.87Å; E38-K55 PolarHBondContact OE1-NZ 2.77Å
39	W	93.5	Very high	90.4	Very high	42 Å²	42	54.5 Å²	54.5	16%	0.159	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.8	172	-160.8	48.4	0	0	0	111.8	H27 G41 V42 N51 N53 F56 F100	H27-W39 AromaticContact ND1-NE1 3.46Å; H27-W39 PolarHBondContact ND1-NE1 2.86Å; W39-G41 VanDerWaalsContact CE2-C 3.43Å; W39-G41 VanDerWaalsContact CE2-CA 3.45Å; W39-G41 PolarHBondContact NE1-O 2.89Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; W39-V42 HydrophobicContact CH2-CG1 4.23Å; W39-V42 HydrophobicContact CZ2-CB 3.8Å; W39-V42 HydrophobicContact CZ2-CG1 3.67Å; W39-N51 HydrophobicContact CH2-CB 4.44Å; W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 4.19Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.48Å; W39-N53 PolarHBondContact O-ND2 2.83Å; W39-F56 WeakPolarHBondContact O-CE2 3.46Å; W39-F100 HydrophobicContact CB-CD2 4.26Å; W39-F100 HydrophobicContact CB-CE1 3.88Å; W39-F100 HydrophobicContact CB-CE2 3.32Å; W39-F100 HydrophobicContact CB-CZ 3.15Å; W39-F100 AromaticContact CD1-CE2 3.49Å; W39-F100 VanDerWaalsContact CD1-CE2 3.49Å; W39-F100 AromaticContact CD1-CZ 3.61Å; W39-F100 HydrophobicContact CD2-CE2 4.01Å; W39-F100 HydrophobicContact CG-CD2 4.34Å; W39-F100 AromaticContact CG-CE2 3.26Å; W39-F100 HydrophobicContact CG-CE2 3.26Å; W39-F100 AromaticContact CG-CZ 3.48Å; W39-F100 HydrophobicContact CG-CZ 3.48Å; W39-F100 VanDerWaalsContact CG-CZ 3.48Å
40	I	95.8	Very high	90.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-47	173.9	-56.1	175.2	0	0	0	110	W28 K30 E38 N53 F56 A60 M62 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.07Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.18Å; W28-I40 PolarHBondContact O-N 2.71Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; E38-I40 PolarHBondContact O-N 2.75Å; I40-N53 PolarHBondContact O-N 2.8Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.27Å; I40-F56 HydrophobicContact CG1-CD2 4.31Å; I40-F56 HydrophobicContact CG1-CE1 4.16Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.34Å; I40-F56 HydrophobicContact CG1-CZ 4.11Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.26Å; I40-F56 HydrophobicContact CG2-CG 3.76Å; I40-A60 HydrophobicContact CG2-CB 3.71Å; I40-M62 HydrophobicContact CB-CE 4.28Å; I40-M62 HydrophobicContact CG2-CE 3.77Å; I40-M73 HydrophobicContact CB-SD 4.38Å; I40-M73 HydrophobicContact CD1-CE 3.73Å; I40-M73 HydrophobicContact CD1-SD 3.63Å; I40-M73 HydrophobicContact CG2-SD 3.81Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.74Å
41	G	95.4	Very high	90.4	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-175.3	-173.7	0	0	0	0	0	112.4	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.28Å; W28-G41 PolarHBondContact N-O 3.45Å; W39-G41 VanDerWaalsContact CE2-C 3.43Å; W39-G41 VanDerWaalsContact CE2-CA 3.45Å; W39-G41 PolarHBondContact NE1-O 2.89Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 2.97Å
42	V	95.8	Very high	90.4	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.018	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.6	178.6	63.6	0	0	0	0	109.9	A25 M26 W39 T50 N51 Y96	A25-V42 HydrophobicContact CB-CG2 3.51Å; M26-V42 CarbonylContact O-C 3.45Å; M26-V42 VanDerWaalsContact O-CA 3.3Å; M26-V42 WeakPolarHBondContact O-CA 2.98Å; M26-V42 WeakPolarHBondContact O-CG2 3.44Å; W39-V42 HydrophobicContact CH2-CG1 4.23Å; W39-V42 HydrophobicContact CZ2-CB 3.8Å; W39-V42 HydrophobicContact CZ2-CG1 3.67Å; V42-T50 CarbonylContact O-C 3.56Å; V42-T50 VanDerWaalsContact O-CA 3.29Å; V42-T50 WeakPolarHBondContact O-CA 3.32Å; V42-N51 HydrophobicContact CG1-CB 3.95Å; V42-N51 PolarHBondContact N-O 2.94Å; V42-N51 PolarHBondContact O-N 3.35Å; V42-Y96 HydrophobicContact CG1-CD1 4.19Å; V42-Y96 HydrophobicContact CG1-CE1 4.19Å
43	I	95.8	Very high	90.7	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.3	168.6	-175.5	166.7	0	0	0	110.1	A25 M26 T45 N49 T50 M62 V64	A25-I43 WeakPolarHBondContact CA-O 3.24Å; M26-I43 HydrophobicContact CB-CG2 3.93Å; M26-I43 PolarHBondContact N-O 2.83Å; M26-I43 PolarHBondContact O-N 2.84Å; I43-T45 PolarHBondContact O-N 2.8Å; I43-N49 WeakPolarHBondContact CA-O 3.49Å; I43-T50 HydrophobicContact CB-CG2 4.08Å; I43-T50 HydrophobicContact CD1-CG2 3.88Å; I43-T50 HydrophobicContact CG1-CG2 3.88Å; I43-M62 HydrophobicContact CB-CB 4.09Å; I43-M62 HydrophobicContact CB-SD 4.48Å; I43-M62 HydrophobicContact CD1-CB 4.13Å; I43-M62 HydrophobicContact CG2-CB 4.34Å; I43-V64 HydrophobicContact CD1-CB 4.05Å; I43-V64 HydrophobicContact CD1-CG1 4.21Å
44	S	95.1	Very high	91.4	Very high	7 Å²	7	61.8 Å²	61.8	5%	0.049	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	120.6	168	172.7	0	0	0	0	109	Y46 S47 G48 N49 Y93	S44-Y46 VanDerWaalsContact C-N 3.28Å; S44-Y46 PolarHBondContact O-N 2.86Å; S44-S47 VanDerWaalsContact CB-OG 3.22Å; S44-S47 WeakPolarHBondContact CB-OG 3.48Å; S44-S47 PolarHBondContact OG-N 2.81Å; S44-S47 VanDerWaalsContact OG-N 3.11Å; S44-S47 PolarHBondContact OG-OG 3.09Å; S44-G48 WeakPolarHBondContact O-CA 3.38Å; S44-G48 PolarHBondContact O-N 2.87Å; S44-N49 PolarHBondContact N-O 3.11Å; S44-Y93 WeakPolarHBondContact OG-CE1 3.42Å; S44-Y93 PolarHBondContact OG-OH 2.87Å
45	T	95.2	Very high	92.3	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.006	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-22.4	-179.9	67.2	0	0	0	0	112.2	F21 T22 Y24 M26 I43 V64 K66	F21-T45 HydrophobicContact CD1-CG2 4.38Å; F21-T45 HydrophobicContact CD2-CG2 4.43Å; F21-T45 HydrophobicContact CE1-CG2 3.86Å; F21-T45 HydrophobicContact CE2-CG2 3.89Å; F21-T45 HydrophobicContact CZ-CG2 3.57Å; F21-T45 PolarHBondContact O-OG1 3.18Å; T22-T45 WeakPolarHBondContact CA-OG1 3.42Å; Y24-T45 WeakPolarHBondContact O-CB 3.43Å; Y24-T45 WeakPolarHBondContact O-CG2 3.3Å; Y24-T45 PolarHBondContact O-N 2.02Å; Y24-T45 PolarHBondContact O-OG1 2.91Å; M26-T45 HydrophobicContact CB-CG2 4.21Å; I43-T45 PolarHBondContact O-N 2.8Å; T45-V64 HydrophobicContact CG2-CG2 4.49Å; T45-K66 VanDerWaalsContact O-CE 3.24Å; T45-K66 WeakPolarHBondContact O-CE 3.34Å
46	Y	94.3	Very high	93.6	Very high	157 Å²	157	58.1 Å²	58.1	62%	0.616	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-57.2	170.3	-176.8	-110.1	0	0	0	113.2	T22 S44 K66 Y93	T22-Y46 WeakPolarHBondContact O-CB 3.2Å; S44-Y46 VanDerWaalsContact C-N 3.28Å; S44-Y46 PolarHBondContact O-N 2.86Å; Y46-K66 WeakPolarHBondContact O-CE 3.47Å; Y46-K66 PolarHBondContact O-NZ 2.9Å; Y46-Y93 VanDerWaalsContact CB-OH 3.23Å; Y46-Y93 WeakPolarHBondContact CB-OH 3.4Å; Y46-Y93 PolarHBondContact N-OH 2.82Å
47	S	94.3	Very high	94.1	Very high	59 Å²	59	60.9 Å²	60.9	41%	0.413	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-17	-171.3	61.8	0	0	0	0	114.2	S44 N49	S44-S47 VanDerWaalsContact CB-OG 3.22Å; S44-S47 WeakPolarHBondContact CB-OG 3.48Å; S44-S47 PolarHBondContact OG-N 2.81Å; S44-S47 VanDerWaalsContact OG-N 3.11Å; S44-S47 PolarHBondContact OG-OG 3.09Å; S47-N49 PolarHBondContact O-N 3.23Å; S47-N49 WeakPolarHBondContact OG-CB 3.42Å; S47-N49 PolarHBondContact OG-N 2.59Å; S47-N49 PolarHBondContact OG-ND2 3.11Å
48	G	94.5	Very high	94.2	Very high	30 Å²	30	60.2 Å²	60.2	31%	0.309	32%	0.316	S	S	.	.			trans	75.4	-0.1	-171.5	0	0	0	0	0	113.9	S44 T50	S44-G48 WeakPolarHBondContact O-CA 3.38Å; S44-G48 PolarHBondContact O-N 2.87Å; G48-T50 PolarHBondContact O-N 3.46Å
49	N	94.6	Very high	94.4	Very high	115 Å²	115	61 Å²	61	62%	0.615	32%	0.319	S	S	*	.			trans	-65.2	133.6	179	-68.2	-12.3	0	0	0	110.6	I43 S44 S47	I43-N49 WeakPolarHBondContact CA-O 3.49Å; S44-N49 PolarHBondContact N-O 3.11Å; S47-N49 PolarHBondContact O-N 3.23Å; S47-N49 WeakPolarHBondContact OG-CB 3.42Å; S47-N49 PolarHBondContact OG-N 2.59Å; S47-N49 PolarHBondContact OG-ND2 3.11Å
50	T	95.1	Very high	94.6	Very high	61 Å²	61	59.1 Å²	59.1	37%	0.374	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.2	-178.1	57.3	0	0	0	0	111.4	V42 I43 G48 Y52 M62	V42-T50 CarbonylContact O-C 3.56Å; V42-T50 VanDerWaalsContact O-CA 3.29Å; V42-T50 WeakPolarHBondContact O-CA 3.32Å; I43-T50 HydrophobicContact CB-CG2 4.08Å; I43-T50 HydrophobicContact CD1-CG2 3.88Å; I43-T50 HydrophobicContact CG1-CG2 3.88Å; G48-T50 PolarHBondContact O-N 3.46Å; T50-Y52 HydrophobicContact CG2-CE2 4.41Å; T50-Y52 VanDerWaalsContact OG1-CE2 3.23Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.41Å; T50-M62 HydrophobicContact CG2-CB 3.92Å
51	N	94.3	Very high	94.7	Very high	95 Å²	95	62.6 Å²	62.6	51%	0.508	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.1	164.5	-166.8	0	0	0	0	109	W39 G41 V42	W39-N51 HydrophobicContact CH2-CB 4.44Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 2.97Å; V42-N51 HydrophobicContact CG1-CB 3.95Å; V42-N51 PolarHBondContact N-O 2.94Å; V42-N51 PolarHBondContact O-N 3.35Å
52	Y	94.3	Very high	94.8	Very high	51 Å²	51	63 Å²	63	20%	0.2	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.6	-173.1	-63.4	-87.2	0	0	0	110.4	T50 A60 M62	T50-Y52 HydrophobicContact CG2-CE2 4.41Å; T50-Y52 VanDerWaalsContact OG1-CE2 3.23Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.41Å; Y52-A60 HydrophobicContact CD1-CB 4.42Å; Y52-A60 HydrophobicContact CE1-CB 4.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.34Å; Y52-M62 HydrophobicContact CD1-CE 4.1Å; Y52-M62 HydrophobicContact CE1-CE 3.93Å; Y52-M62 HydrophobicContact CE1-CG 3.95Å; Y52-M62 HydrophobicContact CE1-SD 3.99Å; Y52-M62 PolarHBondContact OH-N 3.38Å
53	N	93.7	Very high	94.9	Very high	46 Å²	46	66 Å²	66	25%	0.246	35%	0.354	C	S	.	.			trans	-65.1	137	158.1	-176.8	-27.1	0	0	0	109	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 4.19Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.48Å; W39-N53 PolarHBondContact O-ND2 2.83Å; I40-N53 PolarHBondContact O-N 2.8Å; N53-K55 PolarHBondContact O-N 2.78Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.8Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.92Å; N53-K57 PolarHBondContact O-N 2.84Å
54	Q	93.1	Very high	95	Very high	175 Å²	175	67.7 Å²	67.7	82%	0.818	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-53.8	-34.4	-177.6	-169.7	173	2.8	0	0	113	F56 K57	Q54-F56 PolarHBondContact O-N 2.81Å; Q54-K57 PolarHBondContact O-N 2.92Å
55	K	91.9	Very high	95.1	Very high	143 Å²	143	69.9 Å²	69.9	62%	0.622	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-60.8	-30.7	177.2	-67.6	-175.5	-177.3	177.6	0	113.9	E38 N53	E38-K55 IonicContact OE1-NZ 2.87Å; E38-K55 PolarHBondContact OE1-NZ 2.77Å; N53-K55 PolarHBondContact O-N 2.78Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.8Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56	F	93.9	Very high	95.1	Very high	11 Å²	11	74.9 Å²	74.9	5%	0.048	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-106.1	-2.6	-174.3	-62.5	-84.5	0	0	0	112.6	K30 W39 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 4.03Å; K30-F56 HydrophobicContact CD-CZ 4.02Å; W39-F56 WeakPolarHBondContact O-CE2 3.46Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.27Å; I40-F56 HydrophobicContact CG1-CD2 4.31Å; I40-F56 HydrophobicContact CG1-CE1 4.16Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.34Å; I40-F56 HydrophobicContact CG1-CZ 4.11Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.26Å; I40-F56 HydrophobicContact CG2-CG 3.76Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.92Å; Q54-F56 PolarHBondContact O-N 2.81Å; F56-G58 PolarHBondContact O-N 3.05Å; F56-K59 WeakPolarHBondContact O-CB 3.35Å; F56-K59 PolarHBondContact O-N 2.98Å; F56-A60 HydrophobicContact CB-CB 4.3Å; F56-A60 PolarHBondContact O-N 3.2Å
57	K	93.3	Very high	95.2	Very high	161 Å²	161	72.6 Å²	72.6	70%	0.7	41%	0.405	S	S	*	.	B	Isolated β-bridge	trans	-62.5	123.8	176.6	-165.3	174.2	-175.6	178.2	0	109.4	N53 Q54 K59	N53-K57 PolarHBondContact O-N 2.84Å; Q54-K57 PolarHBondContact O-N 2.92Å; K57-K59 PolarHBondContact O-N 3.39Å
58	G	93	Very high	95.3	Very high	78 Å²	78	71.5 Å²	71.5	80%	0.804	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-11.1	-175.2	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 3.05Å
59	K	95.6	Very high	95.4	Very high	44 Å²	44	72 Å²	72	19%	0.191	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-43.7	171.9	-173.9	77.5	177.3	-164.9	0	111.4	F56 K57 L75 A76 R77 D82	F56-K59 WeakPolarHBondContact O-CB 3.35Å; F56-K59 PolarHBondContact O-N 2.98Å; K57-K59 PolarHBondContact O-N 3.39Å; K59-L75 WeakPolarHBondContact O-CA 3.48Å; K59-A76 WeakPolarHBondContact CD-O 3.12Å; K59-A76 WeakPolarHBondContact CE-O 3.24Å; K59-A76 PolarHBondContact NZ-O 2.84Å; K59-A76 VanDerWaalsContact NZ-O 3.09Å; K59-A76 PolarHBondContact O-N 3.37Å; K59-R77 PolarHBondContact NZ-O 2.91Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD2 2.72Å; K59-D82 PolarHBondContact NZ-OD2 3.13Å
60	A	97.2	Very high	95.6	Very high	3 Å²	3	67 Å²	67	3%	0.025	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	138.7	179.2	0	0	0	0	0	111.1	I40 Y52 F56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.71Å; Y52-A60 HydrophobicContact CD1-CB 4.42Å; Y52-A60 HydrophobicContact CE1-CB 4.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.34Å; F56-A60 HydrophobicContact CB-CB 4.3Å; F56-A60 PolarHBondContact O-N 3.2Å; A60-M73 HydrophobicContact CB-CG 4.36Å; A60-M73 HydrophobicContact CB-SD 4.41Å; A60-E74 CarbonylContact C-O 3.54Å; A60-E74 VanDerWaalsContact CA-O 3.31Å; A60-E74 WeakPolarHBondContact CA-O 3.23Å; A60-L75 HydrophobicContact CB-CD2 3.91Å
61	T	98.1	Very high	95.8	Very high	72 Å²	72	64 Å²	64	44%	0.442	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.8	169.9	-63.2	0	0	0	0	109.1	M73 E74	T61-M73 CarbonylContact O-C 3.58Å; T61-M73 WeakPolarHBondContact O-CA 3.07Å; T61-E74 PolarHBondContact N-O 3.27Å; T61-E74 PolarHBondContact O-N 3.04Å
62	M	98.1	Very high	95.9	Very high	10 Å²	10	62 Å²	62	5%	0.049	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.5	-178.6	-62	173	-173.2	0	0	111	W28 I40 I43 T50 Y52 Y72 M73	W28-M62 HydrophobicContact CB-CE 3.84Å; W28-M62 VanDerWaalsContact CD1-SD 3.53Å; W28-M62 HydrophobicContact CG-CE 3.94Å; W28-M62 HydrophobicContact CG-SD 4.42Å; I40-M62 HydrophobicContact CB-CE 4.28Å; I40-M62 HydrophobicContact CG2-CE 3.77Å; I43-M62 HydrophobicContact CB-CB 4.09Å; I43-M62 HydrophobicContact CB-SD 4.48Å; I43-M62 HydrophobicContact CD1-CB 4.13Å; I43-M62 HydrophobicContact CG2-CB 4.34Å; T50-M62 HydrophobicContact CG2-CB 3.92Å; Y52-M62 HydrophobicContact CD1-CE 4.1Å; Y52-M62 HydrophobicContact CE1-CE 3.93Å; Y52-M62 HydrophobicContact CE1-CG 3.95Å; Y52-M62 HydrophobicContact CE1-SD 3.99Å; Y52-M62 PolarHBondContact OH-N 3.38Å; M62-Y72 WeakPolarHBondContact CA-O 3.42Å; M62-M73 HydrophobicContact CE-SD 4.23Å; M62-M73 HydrophobicContact CG-CB 4.5Å; M62-M73 HydrophobicContact CG-CG 4.36Å
63	T	98.1	Very high	96.1	Very high	65 Å²	65	59.6 Å²	59.6	40%	0.399	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	162.7	176.3	56.8	0	0	0	0	110.8	Y72	T63-Y72 PolarHBondContact N-O 3.28Å; T63-Y72 PolarHBondContact O-N 2.97Å
64	V	97.8	Very high	96.3	Very high	37 Å²	37	61.3 Å²	61.3	22%	0.224	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.1	179.7	66.9	0	0	0	0	110.7	F21 I43 T45	F21-V64 HydrophobicContact CE1-CG2 3.44Å; F21-V64 VanDerWaalsContact CE1-CG2 3.44Å; F21-V64 HydrophobicContact CZ-CG2 3.92Å; I43-V64 HydrophobicContact CD1-CB 4.05Å; I43-V64 HydrophobicContact CD1-CG1 4.21Å; T45-V64 HydrophobicContact CG2-CG2 4.49Å
65	D	97.4	Very high	96.5	Very high	53 Å²	53	53.1 Å²	53.1	28%	0.283	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	105.1	166.9	175.5	8.7	0	0	0	108.8	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.07Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 3.1Å; D65-S67 PolarHBondContact OD2-OG 3.27Å; D65-S68 PolarHBondContact OD1-N 2.89Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.42Å; D65-S68 PolarHBondContact OD2-OG 2.79Å; D65-S69 PolarHBondContact O-N 3.46Å; D65-S69 VanDerWaalsContact O-N 3.16Å; D65-T70 PolarHBondContact N-O 3.46Å; D65-T70 PolarHBondContact O-N 3.11Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å
66	K	95.4	Very high	96.6	Very high	107 Å²	107	47.7 Å²	47.7	47%	0.465	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-30.8	-178.5	-60.6	177.4	-177.1	175.3	0	112.1	T22 T45 Y46 S68 S69	T22-K66 HydrophobicContact CG2-CD 4.38Å; T22-K66 HydrophobicContact CG2-CG 4.43Å; T45-K66 VanDerWaalsContact O-CE 3.24Å; T45-K66 WeakPolarHBondContact O-CE 3.34Å; Y46-K66 WeakPolarHBondContact O-CE 3.47Å; Y46-K66 PolarHBondContact O-NZ 2.9Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S68 PolarHBondContact O-N 2.87Å; K66-S69 PolarHBondContact O-N 2.95Å
67	S	95.4	Very high	96.6	Very high	109 Å²	109	56.5 Å²	56.5	76%	0.762	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-39.2	-176.7	72.7	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.07Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 3.1Å; D65-S67 PolarHBondContact OD2-OG 3.27Å
68	S	97	Very high	96.6	Very high	36 Å²	36	49.7 Å²	49.7	25%	0.252	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.3	177.2	68	0	0	0	0	113.6	K15 D65 K66 T70	K15-S68 WeakPolarHBondContact CE-O 3.45Å; D65-S68 PolarHBondContact OD1-N 2.89Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.42Å; D65-S68 PolarHBondContact OD2-OG 2.79Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S68 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-N 3.15Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 VanDerWaalsContact O-OG1 3.11Å; S68-T70 WeakPolarHBondContact OG-CB 3.37Å; S68-T70 PolarHBondContact OG-OG1 3.45Å; S68-T70 VanDerWaalsContact OG-OG1 3.11Å
69	S	97.1	Very high	96.6	Very high	39 Å²	39	49.1 Å²	49.1	27%	0.273	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	41.5	-172.4	-62.3	0	0	0	0	112.9	K15 G16 F21 D65 K66	K15-S69 WeakPolarHBondContact CA-O 3.24Å; G16-S69 PolarHBondContact N-O 3.28Å; F21-S69 WeakPolarHBondContact CE2-O 3.41Å; D65-S69 PolarHBondContact O-N 3.46Å; D65-S69 VanDerWaalsContact O-N 3.16Å; K66-S69 PolarHBondContact O-N 2.95Å
70	T	98.1	Very high	96.2	Very high	10 Å²	10	52 Å²	52	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.5	-174.5	-52.4	0	0	0	0	111.3	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; K15-T70 HydrophobicContact CB-CG2 4.48Å; D65-T70 PolarHBondContact N-O 3.46Å; D65-T70 PolarHBondContact O-N 3.11Å; S68-T70 PolarHBondContact O-N 3.15Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 VanDerWaalsContact O-OG1 3.11Å; S68-T70 WeakPolarHBondContact OG-CB 3.37Å; S68-T70 PolarHBondContact OG-OG1 3.45Å; S68-T70 VanDerWaalsContact OG-OG1 3.11Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.68Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å
71	A	98	Very high	95.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	147.8	167	0	0	0	0	0	109.8	S13 C14 F21 M26 W28	S13-A71 CarbonylContact C-O 3.51Å; C14-A71 PolarHBondContact N-O 2.63Å; C14-A71 PolarHBondContact O-N 3.49Å; F21-A71 HydrophobicContact CZ-CB 4.21Å; M26-A71 HydrophobicContact CB-CB 3.99Å; M26-A71 HydrophobicContact CE-CB 4.42Å; M26-A71 HydrophobicContact CG-CB 3.76Å; W28-A71 HydrophobicContact CZ2-CB 4.2Å
72	Y	98.3	Very high	95.4	Very high	52 Å²	52	56.6 Å²	56.6	20%	0.204	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.8	176.4	-55	-89.7	0	0	0	111.1	K11 I12 S13 M62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CG 3.4Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å; I12-Y72 CarbonylContact O-C 3.57Å; I12-Y72 WeakPolarHBondContact O-CA 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.49Å; M62-Y72 WeakPolarHBondContact CA-O 3.42Å; T63-Y72 PolarHBondContact N-O 3.28Å; T63-Y72 PolarHBondContact O-N 2.97Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.68Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å
73	M	98	Very high	95.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.8	167.5	179.9	-178.2	70.1	0	0	108.9	I12 W28 I40 A60 T61 M62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.7Å; I12-M73 PolarHBondContact N-O 3.16Å; I12-M73 PolarHBondContact O-N 3Å; W28-M73 HydrophobicContact CB-SD 3.71Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.3Å; W28-M73 HydrophobicContact CD2-CG 4.34Å; W28-M73 HydrophobicContact CD2-SD 3.92Å; W28-M73 HydrophobicContact CE3-CB 3.85Å; W28-M73 HydrophobicContact CE3-CE 3.8Å; W28-M73 HydrophobicContact CE3-SD 4.04Å; W28-M73 HydrophobicContact CG-CB 4.18Å; W28-M73 HydrophobicContact CG-CG 4.5Å; W28-M73 HydrophobicContact CG-SD 3.8Å; W28-M73 HydrophobicContact CH2-CB 3.97Å; W28-M73 HydrophobicContact CZ2-CB 3.77Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.37Å; I40-M73 HydrophobicContact CB-SD 4.38Å; I40-M73 HydrophobicContact CD1-CE 3.73Å; I40-M73 HydrophobicContact CD1-SD 3.63Å; I40-M73 HydrophobicContact CG2-SD 3.81Å; A60-M73 HydrophobicContact CB-CG 4.36Å; A60-M73 HydrophobicContact CB-SD 4.41Å; T61-M73 CarbonylContact O-C 3.58Å; T61-M73 WeakPolarHBondContact O-CA 3.07Å; M62-M73 HydrophobicContact CE-SD 4.23Å; M62-M73 HydrophobicContact CG-CB 4.5Å; M62-M73 HydrophobicContact CG-CG 4.36Å; M73-L75 HydrophobicContact CE-CD1 3.93Å; M73-L75 HydrophobicContact CE-CD2 4.15Å; M73-L75 HydrophobicContact CE-CG 3.98Å; M73-L75 HydrophobicContact CG-CD2 4.5Å; M73-L75 HydrophobicContact SD-CD2 4.23Å; M73-Y86 HydrophobicContact CE-CD1 3.72Å; M73-Y86 HydrophobicContact CE-CE1 4.17Å; M73-Y86 HydrophobicContact CE-CG 4.44Å
74	E	97.7	Very high	94.9	Very high	83 Å²	83	58.2 Å²	58.2	39%	0.388	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.6	169.7	-171.8	177.3	171.2	0	0	109.8	S9 V10 A60 T61	S9-E74 WeakPolarHBondContact CB-OE1 3.48Å; V10-E74 CarbonylContact O-C 3.53Å; V10-E74 VanDerWaalsContact O-CA 3.28Å; V10-E74 WeakPolarHBondContact O-CA 3.44Å; A60-E74 CarbonylContact C-O 3.54Å; A60-E74 VanDerWaalsContact CA-O 3.31Å; A60-E74 WeakPolarHBondContact CA-O 3.23Å; T61-E74 PolarHBondContact N-O 3.27Å; T61-E74 PolarHBondContact O-N 3.04Å
75	L	96.2	Very high	94.7	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118	173.3	-68	171.3	0	0	0	108.8	S9 V10 I12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.42Å; V10-L75 PolarHBondContact N-O 2.8Å; V10-L75 PolarHBondContact O-N 2.77Å; I12-L75 HydrophobicContact CD1-CD1 4.04Å; K59-L75 WeakPolarHBondContact O-CA 3.48Å; A60-L75 HydrophobicContact CB-CD2 3.91Å; M73-L75 HydrophobicContact CE-CD1 3.93Å; M73-L75 HydrophobicContact CE-CD2 4.15Å; M73-L75 HydrophobicContact CE-CG 3.98Å; M73-L75 HydrophobicContact CG-CD2 4.5Å; M73-L75 HydrophobicContact SD-CD2 4.23Å; L75-L78 HydrophobicContact CB-CD2 3.67Å; L75-L78 HydrophobicContact CD1-CD2 4.17Å; L75-Y86 HydrophobicContact CD1-CD1 4.19Å; L75-Y86 HydrophobicContact CD1-CE1 3.48Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.48Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.42Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.3Å
76	A	95.9	Very high	94.6	Very high	29 Å²	29	60.2 Å²	60.2	24%	0.24	33%	0.326	C	S	.	.			trans	-85.2	144.3	-176.5	0	0	0	0	0	112.4	S9 K59 L78	S9-A76 WeakPolarHBondContact OG-CA 3.31Å; K59-A76 WeakPolarHBondContact CD-O 3.12Å; K59-A76 WeakPolarHBondContact CE-O 3.24Å; K59-A76 PolarHBondContact NZ-O 2.84Å; K59-A76 VanDerWaalsContact NZ-O 3.09Å; K59-A76 PolarHBondContact O-N 3.37Å; A76-L78 PolarHBondContact O-N 2.88Å
77	R	93.9	Very high	94.6	Very high	196 Å²	196	59.9 Å²	59.9	74%	0.74	32%	0.323	S	S	*	.	S	Bend	trans	50.3	57.6	168.3	-57.2	178.2	-178.1	171.7	0.3	113	V8 K59	V8-R77 PolarHBondContact O-N 2.96Å; K59-R77 PolarHBondContact NZ-O 2.91Å
78	L	92.7	Very high	94.6	Very high	18 Å²	18	57.1 Å²	57.1	9%	0.094	30%	0.303	C	S	.	.			trans	-57.3	140.6	-173.7	-69.8	174.7	0	0	0	112.8	V4 G7 V8 V10 L75 A76 D82	V4-L78 HydrophobicContact CG2-CD1 3.54Å; G7-L78 PolarHBondContact N-O 2.66Å; V8-L78 WeakPolarHBondContact O-CG 3.47Å; V8-L78 PolarHBondContact O-N 2.84Å; V10-L78 HydrophobicContact CB-CD1 3.86Å; V10-L78 HydrophobicContact CG2-CD1 3.37Å; L75-L78 HydrophobicContact CB-CD2 3.67Å; L75-L78 HydrophobicContact CD1-CD2 4.17Å; A76-L78 PolarHBondContact O-N 2.88Å; L78-D82 WeakPolarHBondContact CA-OD2 3.21Å; L78-D82 HydrophobicContact CD2-CB 3.6Å
79	T	91.9	Very high	94.4	Very high	66 Å²	66	56.6 Å²	56.6	41%	0.405	30%	0.301	S	S	.	.			trans	-116.5	172.8	173.2	67.6	0	0	0	0	110.3	E81 D82	T79-E81 PolarHBondContact O-N 3.45Å; T79-E81 PolarHBondContact OG1-N 3.35Å; T79-D82 PolarHBondContact N-OD2 3.11Å; T79-D82 WeakPolarHBondContact O-CB 3.44Å; T79-D82 PolarHBondContact O-N 2.83Å; T79-D82 PolarHBondContact OG1-OD2 3.34Å
80	S	88.9	Confident	94.2	Very high	105 Å²	105	60.4 Å²	60.4	73%	0.734	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-57.7	-30.5	174.4	50.2	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 3.28Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.19Å; S80-S83 PolarHBondContact O-N 3.46Å
81	E	87.8	Confident	93.6	Very high	154 Å²	154	60.3 Å²	60.3	72%	0.72	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-67.5	-21.8	176.5	-61	-176.9	174.4	0	0	112.9	K30 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.2Å; K30-E81 PolarHBondContact NZ-O 3.15Å; T79-E81 PolarHBondContact O-N 3.45Å; T79-E81 PolarHBondContact OG1-N 3.35Å; E81-S83 VanDerWaalsContact C-N 3.27Å
82	D	90.6	Very high	92.3	Very high	17 Å²	17	62 Å²	62	9%	0.091	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-80.7	-6.5	176.4	-62.5	-49.3	0	0	0	112.9	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.75Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD2 2.72Å; K59-D82 PolarHBondContact NZ-OD2 3.13Å; L78-D82 WeakPolarHBondContact CA-OD2 3.21Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; T79-D82 PolarHBondContact N-OD2 3.11Å; T79-D82 WeakPolarHBondContact O-CB 3.44Å; T79-D82 PolarHBondContact O-N 2.83Å; T79-D82 PolarHBondContact OG1-OD2 3.34Å; S80-D82 PolarHBondContact O-N 3.28Å; D82-A84 PolarHBondContact O-N 2.56Å; D82-Y86 WeakPolarHBondContact O-CE2 3.22Å; D82-Y86 PolarHBondContact O-OH 2.96Å
83	S	91.1	Very high	90.7	Very high	87 Å²	87	63.5 Å²	63.5	61%	0.608	33%	0.333	S	S	*	.			trans	-66.7	104.4	174	-175	0	0	0	0	110.7	S80 E81	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.19Å; S80-S83 PolarHBondContact O-N 3.46Å; E81-S83 VanDerWaalsContact C-N 3.27Å
84	A	92.8	Very high	88.7	Confident	23 Å²	23	66.9 Å²	66.9	19%	0.19	37%	0.368	C	S	.	.	S	Bend	trans	-159.8	170.9	-174.1	0	0	0	0	0	110.9	K30 Q31 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.11Å; K30-A84 VanDerWaalsContact CE-CB 3.49Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.42Å; D82-A84 PolarHBondContact O-N 2.56Å; A84-Y86 HydrophobicContact CB-CE2 4.09Å; A84-Y86 WeakPolarHBondContact O-CD2 3.49Å
85	I	93.6	Very high	86.5	Confident	84 Å²	84	68 Å²	68	43%	0.431	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.4	165.6	-54	174.9	0	0	0	108.2	Q31 Y87	Q31-I85 HydrophobicContact CB-CB 4.37Å; Q31-I85 PolarHBondContact N-O 3.16Å; Q31-I85 PolarHBondContact O-N 3.26Å; I85-Y87 HydrophobicContact CB-CE2 3.98Å; I85-Y87 HydrophobicContact CG2-CD2 4.26Å; I85-Y87 HydrophobicContact CG2-CE1 3.87Å; I85-Y87 HydrophobicContact CG2-CE2 3.56Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.22Å
86	Y	95.3	Very high	84.5	Confident	48 Å²	48	73.9 Å²	73.9	19%	0.188	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.4	179	-69.7	-88.2	0	0	0	110	I12 V29 K30 I40 M73 L75 D82 A84	I12-Y86 HydrophobicContact CD1-CD1 4.31Å; I12-Y86 HydrophobicContact CD1-CD2 4.11Å; I12-Y86 HydrophobicContact CD1-CG 3.87Å; V29-Y86 WeakPolarHBondContact O-CA 3.29Å; K30-Y86 HydrophobicContact CB-CD1 4.25Å; K30-Y86 HydrophobicContact CB-CE1 3.96Å; K30-Y86 HydrophobicContact CD-CE1 4.16Å; K30-Y86 HydrophobicContact CG-CD1 4.4Å; K30-Y86 HydrophobicContact CG-CE1 3.84Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.74Å; M73-Y86 HydrophobicContact CE-CD1 3.72Å; M73-Y86 HydrophobicContact CE-CE1 4.17Å; M73-Y86 HydrophobicContact CE-CG 4.44Å; L75-Y86 HydrophobicContact CD1-CD1 4.19Å; L75-Y86 HydrophobicContact CD1-CE1 3.48Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.48Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.42Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.22Å; D82-Y86 PolarHBondContact O-OH 2.96Å; A84-Y86 HydrophobicContact CB-CE2 4.09Å; A84-Y86 WeakPolarHBondContact O-CD2 3.49Å
87	Y	95.4	Very high	82.3	Confident	100 Å²	100	80.3 Å²	80.3	39%	0.392	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.5	178.2	-58.2	-83.4	0	0	0	110.2	W28 V29 Q31 L37 I85	W28-Y87 WeakPolarHBondContact CA-O 3.48Å; V29-Y87 PolarHBondContact N-O 3.44Å; V29-Y87 PolarHBondContact O-N 2.87Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.69Å; Q31-Y87 HydrophobicContact CG-CE2 4.46Å; Q31-Y87 PolarHBondContact OE1-OH 3.05Å; L37-Y87 HydrophobicContact CD2-CD2 4.41Å; L37-Y87 HydrophobicContact CD2-CE2 4.41Å; I85-Y87 HydrophobicContact CB-CE2 3.98Å; I85-Y87 HydrophobicContact CG2-CD2 4.26Å; I85-Y87 HydrophobicContact CG2-CE1 3.87Å; I85-Y87 HydrophobicContact CG2-CE2 3.56Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.22Å
88	C	95.7	Very high	80.1	Confident	51 Å²	51	73.1 Å²	73.1	35%	0.345	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.7	162.2	63.4	0	0	0	0	109.4	C14 M26 H27 W28	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.17Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.22Å; M26-C88 HydrophobicContact CG-CB 4.28Å; M26-C88 HydrophobicContact SD-CB 3.75Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 VanDerWaalsContact O-CA 3.24Å; H27-C88 WeakPolarHBondContact O-CA 3.5Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.14Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.05Å
89	A	94	Very high	78	Confident	24 Å²	24	77.5 Å²	77.5	20%	0.198	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.9	178.7	0	0	0	0	0	112.6	H27 W99	H27-A89 PolarHBondContact N-O 2.83Å; H27-A89 PolarHBondContact O-N 3.2Å; A89-W99 HydrophobicContact CB-CH2 3.04Å; A89-W99 HydrophobicContact CB-CZ2 3.71Å; A89-W99 HydrophobicContact CB-CZ3 3.8Å
90	R	91.6	Very high	75.8	Confident	120 Å²	120	80 Å²	80	45%	0.453	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.8	179	-174.4	-175.5	70.2	162.9	-0.5	110.3	Y19 Y24	Y19-R90 HydrophobicContact CE2-CG 4.3Å; Y19-R90 VanDerWaalsContact CG-NH1 3.34Å; Y24-R90 HydrophobicContact CD1-CG 3.6Å; Y24-R90 HydrophobicContact CD2-CG 4.16Å; Y24-R90 HydrophobicContact CE1-CG 4.32Å; Y24-R90 HydrophobicContact CG-CG 3.49Å; Y24-R90 VanDerWaalsContact CG-CG 3.49Å
91	G	85.6	Confident	73.3	Confident	8 Å²	8	82 Å²	82	8%	0.082	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.8	174.8	0	0	0	0	0	112.2	A25	A25-G91 PolarHBondContact N-O 2.9Å; A25-G91 PolarHBondContact O-N 3.39Å
92	G	72	Confident	72.5	Confident	35 Å²	35	78.4 Å²	78.4	36%	0.361	45%	0.447	S	S	.	.			trans	-77.2	152.3	173.2	0	0	0	0	0	112.1	G94 N95	G92-G94 PolarHBondContact O-N 3.43Å; G92-N95 PolarHBondContact O-N 3.01Å
93	Y	63.2	Low	71.6	Confident	84 Å²	84	81.6 Å²	81.6	33%	0.329	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-12.8	-176	-69.5	-66.5	0	0	0	115.9	T22 D23 Y24 A25 S44 Y46 Y96	T22-Y93 PolarHBondContact O-OH 2.94Å; D23-Y93 VanDerWaalsContact C-CE2 3.41Å; D23-Y93 WeakPolarHBondContact O-CD2 3.49Å; D23-Y93 VanDerWaalsContact O-CE2 3.22Å; D23-Y93 WeakPolarHBondContact O-CE2 3.31Å; Y24-Y93 PolarHBondContact O-OH 3.33Å; A25-Y93 HydrophobicContact CB-CE1 4.39Å; S44-Y93 WeakPolarHBondContact OG-CE1 3.42Å; S44-Y93 PolarHBondContact OG-OH 2.87Å; Y46-Y93 VanDerWaalsContact CB-OH 3.23Å; Y46-Y93 WeakPolarHBondContact CB-OH 3.4Å; Y46-Y93 PolarHBondContact N-OH 2.82Å; Y93-Y96 WeakPolarHBondContact CD1-OH 3.28Å; Y93-Y96 VanDerWaalsContact O-CE2 3.28Å; Y93-Y96 WeakPolarHBondContact O-CE2 3.23Å
94	G	56.2	Low	70.5	Confident	71 Å²	71	81.3 Å²	81.3	73%	0.732	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.2	-179.3	0	0	0	0	0	115.9	G92	G92-G94 PolarHBondContact O-N 3.43Å
95	N	52.9	Low	69.2	Low	107 Å²	107	84.8 Å²	84.8	57%	0.572	47%	0.473	S	S	*	.			trans	-128.4	46	-166.2	-70.9	-43	0	0	0	114	G92 L97 G98	G92-N95 PolarHBondContact O-N 3.01Å; N95-L97 PolarHBondContact O-N 3.11Å; N95-L97 VanDerWaalsContact O-N 3.11Å; N95-G98 PolarHBondContact O-N 3.34Å
96	Y	52.7	Low	67.7	Low	125 Å²	125	84.8 Å²	84.8	49%	0.49	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.1	171.6	-66.8	-71.5	0	0	0	113.5	V42 Y93	V42-Y96 HydrophobicContact CG1-CD1 4.19Å; V42-Y96 HydrophobicContact CG1-CE1 4.19Å; Y93-Y96 WeakPolarHBondContact CD1-OH 3.28Å; Y93-Y96 VanDerWaalsContact O-CE2 3.28Å; Y93-Y96 WeakPolarHBondContact O-CE2 3.23Å
97	L	50.7	Low	65.8	Low	164 Å²	164	87.3 Å²	87.3	86%	0.859	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-12.7	-174.3	-67.8	164.7	0	0	0	114.3	N95	N95-L97 PolarHBondContact O-N 3.11Å; N95-L97 VanDerWaalsContact O-N 3.11Å
98	G	46.9	Very low	63.7	Low	44 Å²	44	86.4 Å²	86.4	45%	0.454	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	3.5	-168.4	0	0	0	0	0	116.1	N95	N95-G98 PolarHBondContact O-N 3.34Å
99	W	49.7	Very low	61.3	Low	111 Å²	111	89.1 Å²	89.1	42%	0.42	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-10	-178.8	-101.9	49.6	0	0	0	114.1	H27 V29 A89	H27-W99 HydrophobicContact CB-CE3 4.49Å; H27-W99 HydrophobicContact CB-CZ3 4.43Å; V29-W99 HydrophobicContact CG2-CE3 4.44Å; V29-W99 HydrophobicContact CG2-CZ3 3.95Å; A89-W99 HydrophobicContact CB-CH2 3.04Å; A89-W99 HydrophobicContact CB-CZ2 3.71Å; A89-W99 HydrophobicContact CB-CZ3 3.8Å
100	F	44.9	Very low	58.5	Low	117 Å²	117	94.5 Å²	94.5	51%	0.513	54%	0.541	S	S	.	.			trans	-129.4	10.7	179.2	-62	-76.4	0	0	0	113.7	W39	W39-F100 HydrophobicContact CB-CD2 4.26Å; W39-F100 HydrophobicContact CB-CE1 3.88Å; W39-F100 HydrophobicContact CB-CE2 3.32Å; W39-F100 HydrophobicContact CB-CZ 3.15Å; W39-F100 AromaticContact CD1-CE2 3.49Å; W39-F100 VanDerWaalsContact CD1-CE2 3.49Å; W39-F100 AromaticContact CD1-CZ 3.61Å; W39-F100 HydrophobicContact CD2-CE2 4.01Å; W39-F100 HydrophobicContact CG-CD2 4.34Å; W39-F100 AromaticContact CG-CE2 3.26Å; W39-F100 HydrophobicContact CG-CE2 3.26Å; W39-F100 AromaticContact CG-CZ 3.48Å; W39-F100 HydrophobicContact CG-CZ 3.48Å; W39-F100 VanDerWaalsContact CG-CZ 3.48Å
101	A	36.1	Very low	55.5	Low	148 Å²	148	92.2 Å²	92.2	100%	1.223	55%	0.549	S	S	*	.			trans	-90.9	0	168	0	0	0	0	0	109.7

Retrieved 101 of 101 residues in 22 ms (Link to these results)

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