X5J5G6_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5G6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 93 aa.

						>X5J5G6_MOUSE|X5J5G6
AELVKPGASVKLSCKASGYTFTSYYMYWVKQRPGQGLEWIGEINPSNGGTNFNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCTTNWG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	66	Low	87.1	Confident	155 Å²	155	99.2 Å²	99.2	100%	1.281	60%	0.595	S	S	*	*				0	132.9	0	0	0	0	0	0	107.6
2	E	76.4	Confident	87.9	Confident	122 Å²	122	94.2 Å²	94.2	57%	0.57	56%	0.563	S	S	*	*			trans	-107	123.4	-179.3	-162.7	173	167.1	0	0	108.8	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.03Å; E2-V10 HydrophobicContact CG-CG2 4.38Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.47Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.44Å
3	L	83.1	Confident	88.7	Confident	178 Å²	178	93.4 Å²	93.4	93%	0.932	57%	0.565	S	S	*	*			trans	-103.2	117.6	176.8	-71.1	175.4	0	0	0	108.4
4	V	86.9	Confident	89.3	Confident	61 Å²	61	87.7 Å²	87.7	37%	0.37	53%	0.531	S	S	.	.			trans	-124.1	149.2	-175.7	-66.3	0	0	0	0	110.5	E2 A8 V10 L78	E2-V4 HydrophobicContact CG-CG1 4.03Å; V4-A8 HydrophobicContact CB-CB 4.45Å; V4-V10 HydrophobicContact CG1-CB 4.47Å; V4-L78 HydrophobicContact CB-CD1 4.36Å; V4-L78 HydrophobicContact CG2-CD1 3.43Å; V4-L78 VanDerWaalsContact CG2-CD1 3.43Å
5	K	87	Confident	89.8	Confident	174 Å²	174	92.4 Å²	92.4	76%	0.757	54%	0.541	S	S	*	.			trans	-71.4	147.7	176.3	-65.2	-179.6	-179.1	178.4	0	109.9	A8	K5-A8 WeakPolarHBondContact O-CB 3.37Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.11Å
6	P	88.8	Confident	90.1	Very high	119 Å²	119	87.3 Å²	87.3	77%	0.773	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	141.8	168.5	-25	34.4	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3.3Å
7	G	90.3	Very high	90.3	Very high	53 Å²	53	88 Å²	88	55%	0.546	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-11.7	-176	0	0	0	0	0	114.9	L78	G7-L78 PolarHBondContact N-O 3.43Å
8	A	93.5	Very high	90.4	Very high	33 Å²	33	88.1 Å²	88.1	27%	0.273	55%	0.546	S	S	.	.			trans	-70.1	168.8	174.7	0	0	0	0	0	111.7	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.45Å; K5-A8 WeakPolarHBondContact O-CB 3.37Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.11Å; P6-A8 PolarHBondContact O-N 3.3Å; A8-S77 PolarHBondContact O-N 3.03Å; A8-L78 WeakPolarHBondContact O-CB 3.18Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 2.87Å
9	S	95	Very high	90.5	Very high	64 Å²	64	87.6 Å²	87.6	45%	0.448	53%	0.533	S	S	.	.			trans	-110.2	148.4	168.6	-57.4	0	0	0	0	110	L75 S76	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.43Å; S9-L75 WeakPolarHBondContact CB-O 3.36Å; S9-S76 WeakPolarHBondContact OG-CA 3.33Å
10	V	95.2	Very high	90.7	Very high	15 Å²	15	87.7 Å²	87.7	9%	0.091	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.9	174.1	68.6	0	0	0	0	110	E2 V4 L12 Q74 L75 L78	E2-V10 HydrophobicContact CG-CG2 4.38Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.47Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.44Å; V4-V10 HydrophobicContact CG1-CB 4.47Å; V10-L12 HydrophobicContact CG2-CD2 4.12Å; V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.4Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.34Å; V10-L75 PolarHBondContact N-O 2.94Å; V10-L75 PolarHBondContact O-N 3.37Å; V10-L78 HydrophobicContact CB-CD1 3.96Å; V10-L78 HydrophobicContact CG1-CD1 3.72Å; V10-L78 HydrophobicContact CG1-CD2 4.41Å
11	K	96.4	Very high	90.9	Very high	117 Å²	117	83.9 Å²	83.9	51%	0.509	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	109.9	174.2	-173.9	178	-179.4	179.6	0	109.7	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 VanDerWaalsContact CE-CG 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.38Å; K11-M73 WeakPolarHBondContact CA-O 3.37Å
12	L	96.8	Very high	92.3	Very high	39 Å²	39	79.3 Å²	79.3	20%	0.204	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.9	175.2	-56.5	177.9	0	0	0	109.8	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.12Å; L12-W28 HydrophobicContact CB-CH2 4.14Å; L12-W28 HydrophobicContact CB-CZ3 3.95Å; L12-Y72 CarbonylContact O-C 3.59Å; L12-Y72 WeakPolarHBondContact O-CA 3.49Å; L12-Y72 WeakPolarHBondContact O-CB 3.48Å; L12-M73 HydrophobicContact CD1-CE 3.66Å; L12-M73 PolarHBondContact N-O 2.94Å; L12-M73 PolarHBondContact O-N 2.78Å; L12-Y86 HydrophobicContact CD1-CD1 4.24Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å
13	S	97.4	Very high	93.1	Very high	84 Å²	84	77.2 Å²	77.2	59%	0.587	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.9	176.5	63.3	0	0	0	0	111.1	A71 Y72	S13-A71 CarbonylContact C-O 3.57Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å
14	C	97.1	Very high	93.6	Very high	14 Å²	14	74 Å²	74	10%	0.095	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	105.3	176	179.4	0	0	0	0	109	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.73Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.45Å; C14-A71 PolarHBondContact N-O 2.72Å; C14-A71 PolarHBondContact O-N 2.89Å; C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 VanDerWaalsContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 3.33Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.6Å
15	K	96.8	Very high	94.1	Very high	158 Å²	158	75.9 Å²	75.9	69%	0.687	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	121	179.9	-173.3	174.9	-177.5	179.3	0	110	T70	K15-T70 HydrophobicContact CB-CG2 4.48Å
16	A	94.6	Very high	94.6	Very high	10 Å²	10	67.7 Å²	67.7	8%	0.083	41%	0.407	C	S	.	.			trans	-78	147.9	175	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.08Å; A16-Y19 HydrophobicContact CB-CE2 4.09Å; A16-Y19 WeakPolarHBondContact CB-OH 3.25Å; A16-F21 HydrophobicContact CB-CB 4.27Å; A16-F21 HydrophobicContact CB-CD2 3.33Å; A16-F21 HydrophobicContact CB-CE2 3.95Å; A16-F21 HydrophobicContact CB-CG 4.1Å; A16-S69 PolarHBondContact N-O 3.29Å
17	S	93.8	Very high	95	Very high	100 Å²	100	63.9 Å²	63.9	70%	0.699	38%	0.378	S	S	*	.			trans	-153.1	152.7	172.9	63.3	0	0	0	0	110.5	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.38Å; S17-Y19 WeakPolarHBondContact O-CE1 3.48Å
18	G	92.9	Very high	95.3	Very high	89 Å²	89	61.6 Å²	61.6	92%	0.918	35%	0.353	S	S	*	.	S	Bend	trans	83.1	4.1	176.9	0	0	0	0	0	115.9
19	Y	90.7	Very high	95.5	Very high	80 Å²	80	60.2 Å²	60.2	31%	0.314	34%	0.34	S	S	.	.	S	Bend	trans	-155.4	167	176.1	61.4	-86.8	0	0	0	111.4	A16 S17 F21 Y24 T90	A16-Y19 HydrophobicContact CB-CE1 4.08Å; A16-Y19 HydrophobicContact CB-CE2 4.09Å; A16-Y19 WeakPolarHBondContact CB-OH 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.38Å; S17-Y19 WeakPolarHBondContact O-CE1 3.48Å; Y19-F21 PolarHBondContact O-N 3.16Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.86Å; Y19-Y24 HydrophobicContact CD2-CE2 3.86Å; Y19-Y24 HydrophobicContact CD2-CG 4.41Å; Y19-Y24 AromaticContact CE2-CD2 3.87Å; Y19-Y24 HydrophobicContact CE2-CD2 3.87Å; Y19-Y24 HydrophobicContact CE2-CG 4.44Å; Y19-Y24 HydrophobicContact CG-CD2 4.3Å; Y19-Y24 HydrophobicContact CG-CE2 4.31Å; Y19-T90 HydrophobicContact CE1-CG2 4.31Å; Y19-T90 HydrophobicContact CE2-CG2 3.87Å; Y19-T90 WeakPolarHBondContact OH-CG2 3.12Å
20	T	94.6	Very high	95.5	Very high	88 Å²	88	57.2 Å²	57.2	54%	0.54	32%	0.319	S	S	.	.			trans	-69.6	105.1	172.8	-57.4	0	0	0	0	109.8	T22 S23	T20-T22 PolarHBondContact O-N 3.17Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T20-S23 WeakPolarHBondContact CB-OG 3.15Å; T20-S23 WeakPolarHBondContact CG2-OG 3.34Å; T20-S23 WeakPolarHBondContact O-CB 3.23Å; T20-S23 PolarHBondContact O-N 3.27Å
21	F	94.5	Very high	95.5	Very high	9 Å²	9	59.7 Å²	59.7	4%	0.039	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-53.1	-35.9	-173.9	177.4	-125.7	0	0	0	114.1	A16 Y19 S23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.27Å; A16-F21 HydrophobicContact CB-CD2 3.33Å; A16-F21 HydrophobicContact CB-CE2 3.95Å; A16-F21 HydrophobicContact CB-CG 4.1Å; Y19-F21 PolarHBondContact O-N 3.16Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 3.03Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-P45 HydrophobicContact CD1-CB 3.91Å; F21-P45 HydrophobicContact CD2-CB 4.47Å; F21-P45 HydrophobicContact CD2-CG 4.33Å; F21-P45 HydrophobicContact CE1-CB 3.62Å; F21-P45 HydrophobicContact CE1-CG 4.24Å; F21-P45 HydrophobicContact CE2-CB 4.21Å; F21-P45 HydrophobicContact CE2-CG 3.94Å; F21-P45 HydrophobicContact CG-CB 4.35Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.89Å; F21-V64 HydrophobicContact CE1-CB 4.3Å; F21-V64 HydrophobicContact CE1-CG1 4.37Å; F21-V64 HydrophobicContact CZ-CB 4.43Å; F21-V64 HydrophobicContact CZ-CG1 4.07Å; F21-A71 HydrophobicContact CE2-CB 4.43Å; F21-A71 HydrophobicContact CZ-CB 4.1Å
22	T	95.8	Very high	95.4	Very high	58 Å²	58	56.6 Å²	56.6	36%	0.356	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-76.3	-7.8	-179.9	52.5	0	0	0	0	114.6	T20 K66	T20-T22 PolarHBondContact O-N 3.17Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T22-K66 HydrophobicContact CG2-CD 4.44Å
23	S	94.6	Very high	95.1	Very high	79 Å²	79	60.6 Å²	60.6	55%	0.552	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-86.2	-9.5	-178.6	-60.7	0	0	0	0	114	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.15Å; T20-S23 WeakPolarHBondContact CG2-OG 3.34Å; T20-S23 WeakPolarHBondContact O-CB 3.23Å; T20-S23 PolarHBondContact O-N 3.27Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 3.03Å
24	Y	93.6	Very high	94.8	Very high	110 Å²	110	61.1 Å²	61.1	43%	0.431	36%	0.362	S	S	.	.	S	Bend	trans	-132.5	145.3	-175.3	-63.1	-89.1	0	0	0	111.2	Y19 P45 T90	Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.86Å; Y19-Y24 HydrophobicContact CD2-CE2 3.86Å; Y19-Y24 HydrophobicContact CD2-CG 4.41Å; Y19-Y24 AromaticContact CE2-CD2 3.87Å; Y19-Y24 HydrophobicContact CE2-CD2 3.87Å; Y19-Y24 HydrophobicContact CE2-CG 4.44Å; Y19-Y24 HydrophobicContact CG-CD2 4.3Å; Y19-Y24 HydrophobicContact CG-CE2 4.31Å; Y24-P45 WeakPolarHBondContact O-CD 2.97Å; Y24-P45 VanDerWaalsContact O-CG 3.28Å; Y24-P45 WeakPolarHBondContact O-CG 3.42Å; Y24-T90 HydrophobicContact CG-CG2 4.47Å
25	Y	95.9	Very high	94.5	Very high	100 Å²	100	65 Å²	65	39%	0.392	38%	0.379	S	S	.	.			trans	-66.6	147.1	166.1	-75.1	-103.8	0	0	0	109.8	E42 N44 T90	Y25-E42 HydrophobicContact CD1-CB 4.46Å; Y25-E42 HydrophobicContact CD1-CG 4.14Å; Y25-N44 HydrophobicContact CD1-CB 3.89Å; Y25-N44 HydrophobicContact CE1-CB 3.51Å; Y25-N44 VanDerWaalsContact CZ-ND2 3.35Å; Y25-N44 PolarHBondContact OH-ND2 3.11Å; Y25-N44 VanDerWaalsContact OH-ND2 3.16Å; Y25-T90 WeakPolarHBondContact O-CA 3.38Å
26	M	97.2	Very high	94.2	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.015	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.5	169.1	-172.7	64.8	67.8	0	0	109.1	F21 E42 I43 A71 C88 T90	F21-M26 HydrophobicContact CE2-CE 3.92Å; M26-E42 CarbonylContact O-C 3.44Å; M26-E42 VanDerWaalsContact O-CA 3.27Å; M26-E42 WeakPolarHBondContact O-CA 3.46Å; M26-I43 HydrophobicContact CB-CG2 3.95Å; M26-I43 PolarHBondContact N-O 2.91Å; M26-I43 PolarHBondContact O-N 2.81Å; M26-A71 HydrophobicContact CB-CB 4.11Å; M26-A71 HydrophobicContact CG-CB 3.69Å; M26-C88 HydrophobicContact CG-CB 4.38Å; M26-C88 HydrophobicContact SD-CB 3.76Å; M26-T90 HydrophobicContact CE-CG2 4.32Å
27	Y	97.5	Very high	94.2	Very high	39 Å²	39	64.2 Å²	64.2	15%	0.153	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.5	178.1	-61.4	-88.9	0	0	0	110.5	W39 E42 C88 T89 W92	Y27-W39 AromaticContact CD1-NE1 3.67Å; Y27-E42 HydrophobicContact CD1-CB 3.71Å; Y27-E42 HydrophobicContact CE1-CB 3.84Å; Y27-E42 HydrophobicContact CE1-CG 4.47Å; Y27-E42 WeakPolarHBondContact CE1-OE2 3.29Å; Y27-E42 HydrophobicContact CG-CB 4.4Å; Y27-E42 VanDerWaalsContact CZ-OE2 3.31Å; Y27-E42 PolarHBondContact OH-OE2 2.98Å; Y27-C88 VanDerWaalsContact O-CA 3.23Å; Y27-C88 WeakPolarHBondContact O-CA 3.26Å; Y27-T89 WeakPolarHBondContact CB-O 3.35Å; Y27-T89 WeakPolarHBondContact CD2-O 3.48Å; Y27-T89 PolarHBondContact N-O 2.69Å; Y27-T89 PolarHBondContact O-N 3.4Å; Y27-W92 HydrophobicContact CD1-CB 3.41Å; Y27-W92 VanDerWaalsContact CD1-CB 3.41Å; Y27-W92 AromaticContact CD1-CG 3.86Å; Y27-W92 HydrophobicContact CD1-CG 3.86Å; Y27-W92 HydrophobicContact CD2-CB 3.68Å; Y27-W92 HydrophobicContact CE1-CB 3.67Å; Y27-W92 HydrophobicContact CE1-CG 4.26Å; Y27-W92 HydrophobicContact CE2-CB 3.94Å; Y27-W92 HydrophobicContact CG-CB 3.44Å; Y27-W92 VanDerWaalsContact CG-CB 3.44Å; Y27-W92 HydrophobicContact CG-CG 4.2Å
28	W	97.8	Very high	94.2	Very high	5 Å²	5	61.1 Å²	61.1	2%	0.019	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.6	175	-69.6	89	0	0	0	110.6	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.14Å; L12-W28 HydrophobicContact CB-CZ3 3.95Å; C14-W28 HydrophobicContact CB-CH2 3.73Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; W28-I40 HydrophobicContact CB-CB 4.2Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.04Å; W28-I40 PolarHBondContact O-N 2.96Å; W28-G41 PolarHBondContact N-O 2.81Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; W28-A71 HydrophobicContact CZ2-CB 4.21Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.67Å; W28-M73 HydrophobicContact CD2-CE 4.22Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.81Å; W28-M73 HydrophobicContact CE3-CE 3.63Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.26Å; W28-M73 HydrophobicContact CG-SD 3.98Å; W28-M73 HydrophobicContact CH2-CB 3.97Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 3.95Å; W28-M73 HydrophobicContact CZ3-CE 4.2Å; W28-Y87 WeakPolarHBondContact CA-O 3.27Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å
29	V	96.8	Very high	94.4	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.018	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.8	-170	-168.3	0	0	0	0	109.3	L37 E38 Y86 Y87 T89 W92	V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 WeakPolarHBondContact CA-O 3.47Å; V29-E38 WeakPolarHBondContact CG1-O 3.29Å; V29-Y86 CarbonylContact O-C 3.5Å; V29-Y86 WeakPolarHBondContact O-CA 3.26Å; V29-Y87 PolarHBondContact N-O 2.98Å; V29-Y87 PolarHBondContact O-N 3.46Å; V29-T89 HydrophobicContact CG2-CG2 4.4Å; V29-W92 HydrophobicContact CB-CH2 4.41Å; V29-W92 HydrophobicContact CB-CZ3 4.05Å; V29-W92 HydrophobicContact CG1-CH2 3.59Å; V29-W92 HydrophobicContact CG1-CZ3 3.6Å; V29-W92 HydrophobicContact CG2-CD2 4.45Å; V29-W92 HydrophobicContact CG2-CE3 3.54Å; V29-W92 HydrophobicContact CG2-CH2 3.86Å; V29-W92 HydrophobicContact CG2-CZ3 3.21Å
30	K	95.5	Very high	94.7	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.4	175.6	-175	-178.4	179.5	-178.1	0	110.1	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.45Å; K30-E38 PolarHBondContact N-O 2.84Å; K30-E38 PolarHBondContact O-N 2.89Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; K30-F56 HydrophobicContact CD-CE1 4.12Å; K30-F56 HydrophobicContact CD-CZ 4.17Å; K30-E81 WeakPolarHBondContact CE-O 3.33Å; K30-E81 PolarHBondContact NZ-O 3.19Å; K30-D82 IonicContact NZ-OD1 3.73Å; K30-A84 HydrophobicContact CD-CB 4.05Å; K30-A84 VanDerWaalsContact CE-CB 3.45Å; K30-A84 HydrophobicContact CG-CB 3.42Å; K30-A84 VanDerWaalsContact CG-CB 3.42Å; K30-Y86 HydrophobicContact CB-CD1 4.2Å; K30-Y86 HydrophobicContact CB-CE1 3.99Å; K30-Y86 HydrophobicContact CD-CE1 4.05Å; K30-Y86 HydrophobicContact CG-CD1 4.32Å; K30-Y86 HydrophobicContact CG-CE1 3.83Å
31	Q	95.5	Very high	94.8	Very high	67 Å²	67	51.4 Å²	51.4	31%	0.313	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117	172.4	-167.1	-178.9	30	0	0	110.3	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CB 3.13Å; Q31-V85 PolarHBondContact N-O 3.36Å; Q31-V85 PolarHBondContact O-N 2.98Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 2.98Å
32	R	93.6	Very high	95	Very high	53 Å²	53	52.6 Å²	52.6	20%	0.2	30%	0.298	C	S	.	.			trans	-90.3	149	169.5	-58.5	-161.6	-173.1	96.8	-6.2	110.5	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.53Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.07Å; R32-Q35 VanDerWaalsContact CD-OE1 3.28Å; R32-Q35 PolarHBondContact O-N 3.44Å; R32-E38 IonicContact CZ-OE1 3.74Å; R32-E38 IonicContact NH1-OE1 2.91Å; R32-E38 PolarHBondContact NH1-OE1 2.96Å; R32-E81 VanDerWaalsContact CZ-O 3.26Å; R32-E81 PolarHBondContact NE-O 2.83Å; R32-E81 PolarHBondContact NH2-O 3.48Å; R32-A84 HydrophobicContact CG-CB 4.15Å
33	P	90.6	Very high	95.1	Very high	123 Å²	123	50 Å²	50	80%	0.799	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	127.4	171.1	-24.4	34.2	0	0	0	111.1	Q35	P33-Q35 PolarHBondContact O-N 2.75Å
34	G	91	Very high	95.2	Very high	94 Å²	94	47 Å²	47	97%	0.969	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	4.1	-179.3	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 2.53Å
35	Q	90.4	Very high	95.4	Very high	97 Å²	97	41.7 Å²	41.7	45%	0.453	24%	0.239	S	C	.	.	S	Bend	trans	-115.8	160.1	174	-58.5	-173.9	-12.2	0	0	111.1	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.07Å; R32-Q35 VanDerWaalsContact CD-OE1 3.28Å; R32-Q35 PolarHBondContact O-N 3.44Å; P33-Q35 PolarHBondContact O-N 2.75Å
36	G	91.4	Very high	95.4	Very high	55 Å²	55	39.4 Å²	39.4	57%	0.567	24%	0.238	S	C	*	.			trans	-68.5	176.9	172.8	0	0	0	0	0	113
37	L	93.8	Very high	95.4	Very high	96 Å²	96	44.7 Å²	44.7	50%	0.503	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.8	171.6	-65.5	173.4	0	0	0	110	V29 Q31 Y87 W92	V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-Y87 HydrophobicContact CD2-CD2 4.46Å; L37-Y87 HydrophobicContact CD2-CE2 4.46Å; L37-W92 HydrophobicContact CB-CH2 4.04Å; L37-W92 HydrophobicContact CD1-CH2 4.49Å; L37-W92 HydrophobicContact CD1-CZ3 4.4Å
38	E	95.3	Very high	95.3	Very high	35 Å²	35	44.4 Å²	44.4	16%	0.164	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.6	172.3	-66.9	-166.7	-95.4	0	0	109.4	V29 K30 R32 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.47Å; V29-E38 WeakPolarHBondContact CG1-O 3.29Å; K30-E38 HydrophobicContact CB-CB 4.45Å; K30-E38 PolarHBondContact N-O 2.84Å; K30-E38 PolarHBondContact O-N 2.89Å; R32-E38 IonicContact CZ-OE1 3.74Å; R32-E38 IonicContact NH1-OE1 2.91Å; R32-E38 PolarHBondContact NH1-OE1 2.96Å; E38-K55 IonicContact OE2-NZ 3.03Å; E38-K55 PolarHBondContact OE2-NZ 3.15Å; E38-F56 HydrophobicContact CB-CZ 4.49Å
39	W	96.1	Very high	95.3	Very high	53 Å²	53	46 Å²	46	20%	0.201	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.9	172.8	-179.5	71.4	0	0	0	110.7	Y27 G41 E42 N51 F52 N53 W92	Y27-W39 AromaticContact CD1-NE1 3.67Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 3.03Å; W39-E42 HydrophobicContact CZ2-CB 4.24Å; W39-E42 HydrophobicContact CZ2-CG 4.15Å; W39-N51 HydrophobicContact CH2-CB 4.49Å; W39-F52 VanDerWaalsContact CZ3-C 3.44Å; W39-N53 HydrophobicContact CE3-CB 3.64Å; W39-N53 HydrophobicContact CZ3-CB 3.82Å; W39-N53 VanDerWaalsContact O-CB 3.25Å; W39-N53 WeakPolarHBondContact O-CB 2.86Å; W39-N53 PolarHBondContact O-ND2 3.04Å; W39-W92 HydrophobicContact CB-CH2 4.38Å; W39-W92 HydrophobicContact CB-CZ2 3.63Å; W39-W92 AromaticContact CD1-CE2 3.79Å; W39-W92 AromaticContact CD1-NE1 3.8Å; W39-W92 HydrophobicContact CG-CZ2 4.25Å
40	I	97.3	Very high	95.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-50.1	-179.9	-57.7	174.4	0	0	0	110.2	W28 K30 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.2Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.04Å; W28-I40 PolarHBondContact O-N 2.96Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; I40-N53 PolarHBondContact O-N 3.08Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.37Å; I40-F56 HydrophobicContact CG1-CD2 4.34Å; I40-F56 HydrophobicContact CG1-CE1 4.33Å; I40-F56 HydrophobicContact CG1-CE2 4.29Å; I40-F56 HydrophobicContact CG1-CG 4.38Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 4.16Å; I40-F56 HydrophobicContact CG2-CD2 4.28Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; I40-A60 HydrophobicContact CG2-CB 3.89Å; I40-M73 HydrophobicContact CD1-CE 3.73Å; I40-M73 HydrophobicContact CD1-SD 3.7Å; I40-M73 HydrophobicContact CG2-SD 3.88Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.7Å
41	G	97.4	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.8	175.5	-171.5	0	0	0	0	0	112.3	W28 W39 N51	W28-G41 PolarHBondContact N-O 2.81Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 3.03Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.37Å
42	E	97.6	Very high	95.5	Very high	33 Å²	33	51.4 Å²	51.4	15%	0.154	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.2	175.2	69.6	-172	165.8	0	0	110.3	Y25 M26 Y27 W39 T50 N51 L62	Y25-E42 HydrophobicContact CD1-CB 4.46Å; Y25-E42 HydrophobicContact CD1-CG 4.14Å; M26-E42 CarbonylContact O-C 3.44Å; M26-E42 VanDerWaalsContact O-CA 3.27Å; M26-E42 WeakPolarHBondContact O-CA 3.46Å; Y27-E42 HydrophobicContact CD1-CB 3.71Å; Y27-E42 HydrophobicContact CE1-CB 3.84Å; Y27-E42 HydrophobicContact CE1-CG 4.47Å; Y27-E42 WeakPolarHBondContact CE1-OE2 3.29Å; Y27-E42 HydrophobicContact CG-CB 4.4Å; Y27-E42 VanDerWaalsContact CZ-OE2 3.31Å; Y27-E42 PolarHBondContact OH-OE2 2.98Å; W39-E42 HydrophobicContact CZ2-CB 4.24Å; W39-E42 HydrophobicContact CZ2-CG 4.15Å; E42-T50 VanDerWaalsContact O-CA 3.32Å; E42-T50 WeakPolarHBondContact O-CA 3.32Å; E42-N51 HydrophobicContact CG-CB 3.91Å; E42-N51 PolarHBondContact N-O 2.85Å; E42-N51 PolarHBondContact O-N 2.83Å; E42-L62 WeakPolarHBondContact O-CD1 3.07Å
43	I	98.1	Very high	95.7	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.1	170.2	-175.6	158.4	0	0	0	109.7	M26 P45 G49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 3.95Å; M26-I43 PolarHBondContact N-O 2.91Å; M26-I43 PolarHBondContact O-N 2.81Å; I43-P45 VanDerWaalsContact O-CD 3.26Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 3.15Å; I43-T50 HydrophobicContact CB-CG2 4.02Å; I43-T50 HydrophobicContact CD1-CG2 3.72Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; I43-L62 HydrophobicContact CB-CB 4.01Å; I43-L62 HydrophobicContact CB-CD1 4.18Å; I43-L62 HydrophobicContact CD1-CB 3.97Å; I43-L62 HydrophobicContact CG2-CB 4.34Å; I43-V64 HydrophobicContact CD1-CG1 3.75Å; I43-V64 HydrophobicContact CD1-CG2 4.36Å; I43-V64 HydrophobicContact CG1-CG1 3.93Å; I43-V64 HydrophobicContact CG2-CG1 3.94Å
44	N	97.4	Very high	95.9	Very high	16 Å²	16	51.5 Å²	51.5	9%	0.086	32%	0.319	C	S	.	.			trans	-83.4	110.4	170.5	-174.1	-28.9	0	0	0	109.2	Y25 S46 N47 G48 G49	Y25-N44 HydrophobicContact CD1-CB 3.89Å; Y25-N44 HydrophobicContact CE1-CB 3.51Å; Y25-N44 VanDerWaalsContact CZ-ND2 3.35Å; Y25-N44 PolarHBondContact OH-ND2 3.11Å; Y25-N44 VanDerWaalsContact OH-ND2 3.16Å; N44-S46 VanDerWaalsContact CG-OG 3.31Å; N44-S46 PolarHBondContact ND2-OG 3.15Å; N44-S46 PolarHBondContact O-N 2.93Å; N44-S46 VanDerWaalsContact OD1-CB 3.27Å; N44-S46 WeakPolarHBondContact OD1-CB 3.15Å; N44-S46 PolarHBondContact OD1-N 3.22Å; N44-S46 PolarHBondContact OD1-OG 2.9Å; N44-N47 WeakPolarHBondContact CB-OD1 3.3Å; N44-N47 PolarHBondContact O-N 2.78Å; N44-G48 VanDerWaalsContact O-CA 3.26Å; N44-G48 WeakPolarHBondContact O-CA 3.06Å; N44-G48 PolarHBondContact O-N 3.31Å; N44-G49 PolarHBondContact N-O 2.86Å
45	P	97	Very high	96	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.8	-178.1	-17	32.8	0	0	0	113.8	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.91Å; F21-P45 HydrophobicContact CD2-CB 4.47Å; F21-P45 HydrophobicContact CD2-CG 4.33Å; F21-P45 HydrophobicContact CE1-CB 3.62Å; F21-P45 HydrophobicContact CE1-CG 4.24Å; F21-P45 HydrophobicContact CE2-CB 4.21Å; F21-P45 HydrophobicContact CE2-CG 3.94Å; F21-P45 HydrophobicContact CG-CB 4.35Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.89Å; Y24-P45 WeakPolarHBondContact O-CD 2.97Å; Y24-P45 VanDerWaalsContact O-CG 3.28Å; Y24-P45 WeakPolarHBondContact O-CG 3.42Å; I43-P45 VanDerWaalsContact O-CD 3.26Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-V64 HydrophobicContact CB-CG1 4.06Å; P45-V64 HydrophobicContact CG-CG1 4.32Å; P45-K66 WeakPolarHBondContact O-CE 2.96Å
46	S	96.6	Very high	96.2	Very high	51 Å²	51	49.8 Å²	49.8	36%	0.357	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-43.3	177.1	73.4	0	0	0	0	112.6	N44 K66	N44-S46 VanDerWaalsContact CG-OG 3.31Å; N44-S46 PolarHBondContact ND2-OG 3.15Å; N44-S46 PolarHBondContact O-N 2.93Å; N44-S46 VanDerWaalsContact OD1-CB 3.27Å; N44-S46 WeakPolarHBondContact OD1-CB 3.15Å; N44-S46 PolarHBondContact OD1-N 3.22Å; N44-S46 PolarHBondContact OD1-OG 2.9Å; S46-K66 PolarHBondContact O-NZ 2.9Å
47	N	96.3	Very high	96.4	Very high	114 Å²	114	52.7 Å²	52.7	61%	0.61	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-5.3	-172.9	64.5	17	0	0	0	114.1	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.3Å; N44-N47 PolarHBondContact O-N 2.78Å; N47-G49 VanDerWaalsContact C-N 3.27Å; N47-G49 PolarHBondContact O-N 3.26Å; N47-G49 PolarHBondContact OD1-N 3.18Å
48	G	96.1	Very high	96.4	Very high	34 Å²	34	53.6 Å²	53.6	35%	0.351	29%	0.294	S	S	.	.			trans	77.4	6.9	-179.3	0	0	0	0	0	114.5	N44 T50	N44-G48 VanDerWaalsContact O-CA 3.26Å; N44-G48 WeakPolarHBondContact O-CA 3.06Å; N44-G48 PolarHBondContact O-N 3.31Å; G48-T50 PolarHBondContact O-N 2.87Å
49	G	97.7	Very high	96.4	Very high	37 Å²	37	53.7 Å²	53.7	38%	0.381	29%	0.294	S	S	.	.			trans	-60.6	134.6	175.8	0	0	0	0	0	111	I43 N44 N47	I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 3.15Å; N44-G49 PolarHBondContact N-O 2.86Å; N47-G49 VanDerWaalsContact C-N 3.27Å; N47-G49 PolarHBondContact O-N 3.26Å; N47-G49 PolarHBondContact OD1-N 3.18Å
50	T	98	Very high	96.5	Very high	70 Å²	70	51.4 Å²	51.4	43%	0.429	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.1	-177.8	53.8	0	0	0	0	111.1	E42 I43 G48 F52 L62	E42-T50 VanDerWaalsContact O-CA 3.32Å; E42-T50 WeakPolarHBondContact O-CA 3.32Å; I43-T50 HydrophobicContact CB-CG2 4.02Å; I43-T50 HydrophobicContact CD1-CG2 3.72Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; G48-T50 PolarHBondContact O-N 2.87Å; T50-F52 HydrophobicContact CG2-CE2 4.46Å; T50-L62 HydrophobicContact CG2-CB 3.92Å
51	N	97.2	Very high	96.5	Very high	83 Å²	83	55 Å²	55	44%	0.444	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148	169.7	-173.9	20.5	0	0	0	108.7	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 4.49Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.37Å; E42-N51 HydrophobicContact CG-CB 3.91Å; E42-N51 PolarHBondContact N-O 2.85Å; E42-N51 PolarHBondContact O-N 2.83Å
52	F	97.7	Very high	96.5	Very high	33 Å²	33	55.6 Å²	55.6	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.8	-171.6	-68.6	-85.6	0	0	0	111.2	W39 T50 K57 A60 L62	W39-F52 VanDerWaalsContact CZ3-C 3.44Å; T50-F52 HydrophobicContact CG2-CE2 4.46Å; F52-K57 HydrophobicContact CB-CB 4.13Å; F52-K57 HydrophobicContact CB-CG 4.25Å; F52-A60 HydrophobicContact CD1-CB 4.26Å; F52-A60 HydrophobicContact CE1-CB 3.85Å; F52-A60 WeakPolarHBondContact CE1-O 3.2Å; F52-L62 HydrophobicContact CE1-CD1 3.82Å; F52-L62 HydrophobicContact CE1-CD2 4.4Å; F52-L62 HydrophobicContact CE1-CG 3.59Å; F52-L62 HydrophobicContact CZ-CB 4.22Å; F52-L62 HydrophobicContact CZ-CD1 4.01Å; F52-L62 HydrophobicContact CZ-CG 3.67Å
53	N	96.3	Very high	96.6	Very high	46 Å²	46	57 Å²	57	25%	0.246	32%	0.322	C	S	.	.			trans	-70.7	133.8	158.8	-178.2	-26.9	0	0	0	108.5	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.64Å; W39-N53 HydrophobicContact CZ3-CB 3.82Å; W39-N53 VanDerWaalsContact O-CB 3.25Å; W39-N53 WeakPolarHBondContact O-CB 2.86Å; W39-N53 PolarHBondContact O-ND2 3.04Å; I40-N53 PolarHBondContact O-N 3.08Å; N53-K55 PolarHBondContact O-N 2.01Å; N53-K55 PolarHBondContact OD1-N 3.24Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.16Å; N53-K57 PolarHBondContact O-N 2.9Å
54	E	95.6	Very high	96.6	Very high	132 Å²	132	58.7 Å²	58.7	62%	0.617	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-30.9	-177.2	-70.2	-61.5	150.1	0	0	112.9	F56 K57	E54-F56 PolarHBondContact O-N 2.79Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 VanDerWaalsContact OE2-CD 3.3Å; E54-K57 WeakPolarHBondContact OE2-CD 3.5Å; E54-K57 IonicContact OE2-NZ 3.44Å; E54-K57 PolarHBondContact OE2-NZ 3.44Å
55	K	93.2	Very high	96.5	Very high	144 Å²	144	60.4 Å²	60.4	63%	0.626	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-29.4	174.9	-67.2	-174.4	-175	-179.2	0	114.2	E38 N53	E38-K55 IonicContact OE2-NZ 3.03Å; E38-K55 PolarHBondContact OE2-NZ 3.15Å; N53-K55 PolarHBondContact O-N 2.01Å; N53-K55 PolarHBondContact OD1-N 3.24Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56	F	95.1	Very high	96.5	Very high	10 Å²	10	65.7 Å²	65.7	4%	0.044	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-9.5	-171.7	-61.8	-82.4	0	0	0	113.4	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.12Å; K30-F56 HydrophobicContact CD-CZ 4.17Å; E38-F56 HydrophobicContact CB-CZ 4.49Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.37Å; I40-F56 HydrophobicContact CG1-CD2 4.34Å; I40-F56 HydrophobicContact CG1-CE1 4.33Å; I40-F56 HydrophobicContact CG1-CE2 4.29Å; I40-F56 HydrophobicContact CG1-CG 4.38Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 4.16Å; I40-F56 HydrophobicContact CG2-CD2 4.28Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.16Å; E54-F56 PolarHBondContact O-N 2.79Å; F56-S58 PolarHBondContact O-N 2.8Å; F56-S58 VanDerWaalsContact O-N 3.16Å; F56-K59 PolarHBondContact O-N 2.99Å; F56-A60 HydrophobicContact CB-CB 4.34Å; F56-A60 PolarHBondContact O-N 2.95Å
57	K	94.3	Very high	96.4	Very high	117 Å²	117	68.5 Å²	68.5	51%	0.509	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.5	-173.8	-167.3	177.6	-169.3	172.8	0	114.6	F52 N53 E54	F52-K57 HydrophobicContact CB-CB 4.13Å; F52-K57 HydrophobicContact CB-CG 4.25Å; N53-K57 PolarHBondContact O-N 2.9Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 VanDerWaalsContact OE2-CD 3.3Å; E54-K57 WeakPolarHBondContact OE2-CD 3.5Å; E54-K57 IonicContact OE2-NZ 3.44Å; E54-K57 PolarHBondContact OE2-NZ 3.44Å
58	S	94.4	Very high	96.4	Very high	114 Å²	114	64.9 Å²	64.9	80%	0.797	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.8	177.3	58.5	0	0	0	0	114	F56	F56-S58 PolarHBondContact O-N 2.8Å; F56-S58 VanDerWaalsContact O-N 3.16Å
59	K	95	Very high	96.5	Very high	38 Å²	38	65.2 Å²	65.2	17%	0.165	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-30.8	-167	-160.5	172.9	-169.8	170.7	0	113.7	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.99Å; K59-L75 WeakPolarHBondContact O-CA 3.32Å; K59-S76 WeakPolarHBondContact CE-O 3.37Å; K59-S76 WeakPolarHBondContact CG-O 3.13Å; K59-S76 PolarHBondContact O-N 2.8Å; K59-S76 PolarHBondContact O-OG 2.59Å; K59-S77 WeakPolarHBondContact CE-O 3.44Å; K59-D82 WeakPolarHBondContact CE-OD2 3.37Å; K59-D82 IonicContact NZ-OD1 2.96Å; K59-D82 PolarHBondContact NZ-OD1 2.9Å; K59-D82 IonicContact NZ-OD2 2.53Å; K59-D82 PolarHBondContact NZ-OD2 3.38Å
60	A	97.3	Very high	96.5	Very high	4 Å²	4	63.9 Å²	63.9	3%	0.033	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.9	-177.8	0	0	0	0	0	111	I40 F52 F56 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.89Å; F52-A60 HydrophobicContact CD1-CB 4.26Å; F52-A60 HydrophobicContact CE1-CB 3.85Å; F52-A60 WeakPolarHBondContact CE1-O 3.2Å; F56-A60 HydrophobicContact CB-CB 4.34Å; F56-A60 PolarHBondContact O-N 2.95Å; A60-Q74 CarbonylContact C-O 3.6Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; A60-L75 HydrophobicContact CB-CD2 3.86Å
61	T	98.2	Very high	96.5	Very high	77 Å²	77	60.5 Å²	60.5	47%	0.472	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126	168.8	-58	0	0	0	0	108.6	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.12Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 2.84Å
62	L	98.4	Very high	96.5	Very high	11 Å²	11	59.1 Å²	59.1	6%	0.058	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136	178.1	-56.1	-178.3	0	0	0	110.3	W28 E42 I43 T50 F52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.01Å; E42-L62 WeakPolarHBondContact O-CD1 3.07Å; I43-L62 HydrophobicContact CB-CB 4.01Å; I43-L62 HydrophobicContact CB-CD1 4.18Å; I43-L62 HydrophobicContact CD1-CB 3.97Å; I43-L62 HydrophobicContact CG2-CB 4.34Å; T50-L62 HydrophobicContact CG2-CB 3.92Å; F52-L62 HydrophobicContact CE1-CD1 3.82Å; F52-L62 HydrophobicContact CE1-CD2 4.4Å; F52-L62 HydrophobicContact CE1-CG 3.59Å; F52-L62 HydrophobicContact CZ-CB 4.22Å; F52-L62 HydrophobicContact CZ-CD1 4.01Å; F52-L62 HydrophobicContact CZ-CG 3.67Å; L62-Y72 WeakPolarHBondContact CA-O 3.35Å; L62-M73 HydrophobicContact CD2-CB 3.63Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.1Å
63	T	98.3	Very high	96.6	Very high	62 Å²	62	57.5 Å²	57.5	38%	0.38	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	161.4	176.5	56	0	0	0	0	110.5	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T63-Y72 PolarHBondContact N-O 2.86Å; T63-Y72 PolarHBondContact O-N 3.13Å
64	V	97.8	Very high	96.6	Very high	39 Å²	39	59.5 Å²	59.5	24%	0.236	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.3	176	-69.5	0	0	0	0	110.8	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.3Å; F21-V64 HydrophobicContact CE1-CG1 4.37Å; F21-V64 HydrophobicContact CZ-CB 4.43Å; F21-V64 HydrophobicContact CZ-CG1 4.07Å; I43-V64 HydrophobicContact CD1-CG1 3.75Å; I43-V64 HydrophobicContact CD1-CG2 4.36Å; I43-V64 HydrophobicContact CG1-CG1 3.93Å; I43-V64 HydrophobicContact CG2-CG1 3.94Å; P45-V64 HydrophobicContact CB-CG1 4.06Å; P45-V64 HydrophobicContact CG-CG1 4.32Å; V64-A71 HydrophobicContact CG1-CB 4.2Å
65	D	97.1	Very high	96.7	Very high	52 Å²	52	53.2 Å²	53.2	28%	0.278	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	106.2	164.5	174.3	8.5	0	0	0	108.3	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.9Å; D65-S67 WeakPolarHBondContact OD1-CB 3.27Å; D65-S67 PolarHBondContact OD1-N 2.92Å; D65-S67 PolarHBondContact OD1-OG 2.89Å; D65-S67 PolarHBondContact OD2-OG 2.85Å; D65-S68 PolarHBondContact OD1-N 3.4Å; D65-S68 WeakPolarHBondContact OD2-CB 3.3Å; D65-S68 PolarHBondContact OD2-OG 2.84Å; D65-S69 PolarHBondContact O-N 2.86Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 2.94Å; D65-T70 PolarHBondContact O-N 3.01Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66	K	95.6	Very high	96.8	Very high	112 Å²	112	48 Å²	48	49%	0.487	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.6	-178.8	-56.8	-176.9	-168.3	-172.3	0	112	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CD 4.44Å; P45-K66 WeakPolarHBondContact O-CE 2.96Å; S46-K66 PolarHBondContact O-NZ 2.9Å; K66-S69 PolarHBondContact O-N 2.84Å
67	S	95.2	Very high	96.7	Very high	110 Å²	110	51.3 Å²	51.3	77%	0.769	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-37.6	-177	73.1	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.9Å; D65-S67 WeakPolarHBondContact OD1-CB 3.27Å; D65-S67 PolarHBondContact OD1-N 2.92Å; D65-S67 PolarHBondContact OD1-OG 2.89Å; D65-S67 PolarHBondContact OD2-OG 2.85Å
68	S	96.7	Very high	96.7	Very high	37 Å²	37	46.3 Å²	46.3	26%	0.259	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-0.4	177.2	66.2	0	0	0	0	113.8	D65 T70	D65-S68 PolarHBondContact OD1-N 3.4Å; D65-S68 WeakPolarHBondContact OD2-CB 3.3Å; D65-S68 PolarHBondContact OD2-OG 2.84Å; S68-T70 PolarHBondContact O-N 3.05Å; S68-T70 PolarHBondContact O-OG1 3.03Å; S68-T70 WeakPolarHBondContact OG-CB 3.44Å; S68-T70 PolarHBondContact OG-OG1 3.11Å
69	S	96.9	Very high	96.6	Very high	41 Å²	41	44.1 Å²	44.1	29%	0.287	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	43	-172	-61.8	0	0	0	0	112.6	A16 D65 K66	A16-S69 PolarHBondContact N-O 3.29Å; D65-S69 PolarHBondContact O-N 2.86Å; D65-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-N 2.84Å
70	T	98.1	Very high	96.4	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.4	-174.5	-50.8	0	0	0	0	111	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.45Å; K15-T70 HydrophobicContact CB-CG2 4.48Å; D65-T70 PolarHBondContact N-O 2.94Å; D65-T70 PolarHBondContact O-N 3.01Å; S68-T70 PolarHBondContact O-N 3.05Å; S68-T70 PolarHBondContact O-OG1 3.03Å; S68-T70 WeakPolarHBondContact OG-CB 3.44Å; S68-T70 PolarHBondContact OG-OG1 3.11Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
71	A	98.1	Very high	96	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	148.6	166	0	0	0	0	0	109.9	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.57Å; C14-A71 PolarHBondContact N-O 2.72Å; C14-A71 PolarHBondContact O-N 2.89Å; F21-A71 HydrophobicContact CE2-CB 4.43Å; F21-A71 HydrophobicContact CZ-CB 4.1Å; M26-A71 HydrophobicContact CB-CB 4.11Å; M26-A71 HydrophobicContact CG-CB 3.69Å; W28-A71 HydrophobicContact CZ2-CB 4.21Å; V64-A71 HydrophobicContact CG1-CB 4.2Å
72	Y	98.3	Very high	95.7	Very high	53 Å²	53	50.3 Å²	50.3	21%	0.208	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.7	176.6	-55.1	-90.3	0	0	0	111.1	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 VanDerWaalsContact CE-CG 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.38Å; L12-Y72 CarbonylContact O-C 3.59Å; L12-Y72 WeakPolarHBondContact O-CA 3.49Å; L12-Y72 WeakPolarHBondContact O-CB 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å; L62-Y72 WeakPolarHBondContact CA-O 3.35Å; T63-Y72 PolarHBondContact N-O 2.86Å; T63-Y72 PolarHBondContact O-N 3.13Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
73	M	98.1	Very high	95.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.1	167.7	177.9	172	69.4	0	0	108.8	K11 L12 W28 I40 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.37Å; L12-M73 HydrophobicContact CD1-CE 3.66Å; L12-M73 PolarHBondContact N-O 2.94Å; L12-M73 PolarHBondContact O-N 2.78Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.67Å; W28-M73 HydrophobicContact CD2-CE 4.22Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.81Å; W28-M73 HydrophobicContact CE3-CE 3.63Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.26Å; W28-M73 HydrophobicContact CG-SD 3.98Å; W28-M73 HydrophobicContact CH2-CB 3.97Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 3.95Å; W28-M73 HydrophobicContact CZ3-CE 4.2Å; I40-M73 HydrophobicContact CD1-CE 3.73Å; I40-M73 HydrophobicContact CD1-SD 3.7Å; I40-M73 HydrophobicContact CG2-SD 3.88Å; T61-M73 WeakPolarHBondContact O-CA 3.12Å; L62-M73 HydrophobicContact CD2-CB 3.63Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.1Å; M73-L75 HydrophobicContact CE-CD1 4.04Å; M73-L75 HydrophobicContact CE-CD2 4.49Å; M73-L75 HydrophobicContact CE-CG 4.22Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.32Å; M73-L75 HydrophobicContact SD-CD2 4.24Å; M73-L75 HydrophobicContact SD-CG 4.45Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.01Å; M73-Y86 HydrophobicContact CE-CG 4.31Å
74	Q	97.8	Very high	95.3	Very high	87 Å²	87	52.8 Å²	52.8	41%	0.407	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126	169.7	-178	173.7	-14.8	0	0	109	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.4Å; A60-Q74 CarbonylContact C-O 3.6Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 2.84Å
75	L	96.5	Very high	95.2	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.6	171.4	-65.8	168.9	0	0	0	108.7	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.43Å; S9-L75 WeakPolarHBondContact CB-O 3.36Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.34Å; V10-L75 PolarHBondContact N-O 2.94Å; V10-L75 PolarHBondContact O-N 3.37Å; K59-L75 WeakPolarHBondContact O-CA 3.32Å; A60-L75 HydrophobicContact CB-CD2 3.86Å; M73-L75 HydrophobicContact CE-CD1 4.04Å; M73-L75 HydrophobicContact CE-CD2 4.49Å; M73-L75 HydrophobicContact CE-CG 4.22Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.32Å; M73-L75 HydrophobicContact SD-CD2 4.24Å; M73-L75 HydrophobicContact SD-CG 4.45Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 4.39Å; L75-Y86 HydrophobicContact CD1-CE1 3.6Å; L75-Y86 HydrophobicContact CD1-CE2 4.32Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.41Å
76	S	95.4	Very high	95.2	Very high	35 Å²	35	54.4 Å²	54.4	25%	0.245	32%	0.32	C	S	.	.			trans	-104.8	162.2	178.2	60.4	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.33Å; K59-S76 WeakPolarHBondContact CE-O 3.37Å; K59-S76 WeakPolarHBondContact CG-O 3.13Å; K59-S76 PolarHBondContact O-N 2.8Å; K59-S76 PolarHBondContact O-OG 2.59Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.88Å
77	S	93.9	Very high	95.2	Very high	79 Å²	79	53.9 Å²	53.9	55%	0.552	32%	0.316	S	S	*	.	S	Bend	trans	50.3	51.7	171.9	-57.4	0	0	0	0	113.1	A8 K59	A8-S77 PolarHBondContact O-N 3.03Å; K59-S77 WeakPolarHBondContact CE-O 3.44Å
78	L	93.6	Very high	95.2	Very high	11 Å²	11	51 Å²	51	6%	0.058	30%	0.295	C	S	.	.			trans	-64.8	139.8	-172.6	-68	170.8	0	0	0	112.5	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.36Å; V4-L78 HydrophobicContact CG2-CD1 3.43Å; V4-L78 VanDerWaalsContact CG2-CD1 3.43Å; G7-L78 PolarHBondContact N-O 3.43Å; A8-L78 WeakPolarHBondContact O-CB 3.18Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 2.87Å; V10-L78 HydrophobicContact CB-CD1 3.96Å; V10-L78 HydrophobicContact CG1-CD1 3.72Å; V10-L78 HydrophobicContact CG1-CD2 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.88Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.38Å; L78-D82 HydrophobicContact CD2-CB 3.74Å
79	T	92.8	Very high	95.1	Very high	68 Å²	68	51.4 Å²	51.4	42%	0.417	30%	0.296	S	S	.	.			trans	-121.2	171	175.4	66	0	0	0	0	110	E81 D82	T79-E81 PolarHBondContact O-N 3.45Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-D82 PolarHBondContact N-OD2 3.16Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 3.46Å; T79-D82 PolarHBondContact OG1-OD2 2.97Å
80	S	90.2	Very high	94.9	Very high	106 Å²	106	51 Å²	51	74%	0.741	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-56.3	-29.8	174.7	50.9	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 3.16Å; S80-S83 WeakPolarHBondContact O-CB 2.9Å; S80-S83 PolarHBondContact O-N 2.78Å
81	E	89.1	Confident	94.2	Very high	131 Å²	131	56.3 Å²	56.3	61%	0.612	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-67	-18.1	177.1	-63.3	-175.7	-178.8	0	0	113.5	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.33Å; K30-E81 PolarHBondContact NZ-O 3.19Å; R32-E81 VanDerWaalsContact CZ-O 3.26Å; R32-E81 PolarHBondContact NE-O 2.83Å; R32-E81 PolarHBondContact NH2-O 3.48Å; T79-E81 PolarHBondContact O-N 3.45Å; T79-E81 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.32Å
82	D	92.3	Very high	92.8	Very high	13 Å²	13	61.5 Å²	61.5	7%	0.07	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-82.9	-9.7	175.8	-56.3	-51.6	0	0	0	113.5	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.73Å; K59-D82 WeakPolarHBondContact CE-OD2 3.37Å; K59-D82 IonicContact NZ-OD1 2.96Å; K59-D82 PolarHBondContact NZ-OD1 2.9Å; K59-D82 IonicContact NZ-OD2 2.53Å; K59-D82 PolarHBondContact NZ-OD2 3.38Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.38Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; T79-D82 PolarHBondContact N-OD2 3.16Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 3.46Å; T79-D82 PolarHBondContact OG1-OD2 2.97Å; S80-D82 PolarHBondContact O-N 3.16Å; D82-A84 PolarHBondContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 3.46Å
83	S	93.1	Very high	90.8	Very high	96 Å²	96	66.1 Å²	66.1	67%	0.671	40%	0.404	S	S	*	.			trans	-64	108.4	175.3	-168	0	0	0	0	110.2	S80 E81	S80-S83 WeakPolarHBondContact O-CB 2.9Å; S80-S83 PolarHBondContact O-N 2.78Å; E81-S83 VanDerWaalsContact C-N 3.32Å
84	A	94.6	Very high	90.4	Very high	28 Å²	28	69.5 Å²	69.5	23%	0.231	42%	0.424	C	S	.	.	S	Bend	trans	-164.8	168.8	-171.7	0	0	0	0	0	110.6	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.05Å; K30-A84 VanDerWaalsContact CE-CB 3.45Å; K30-A84 HydrophobicContact CG-CB 3.42Å; K30-A84 VanDerWaalsContact CG-CB 3.42Å; Q31-A84 WeakPolarHBondContact O-CB 3.13Å; R32-A84 HydrophobicContact CG-CB 4.15Å; D82-A84 PolarHBondContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.5Å; A84-Y86 HydrophobicContact CB-CE2 4Å
85	V	95.6	Very high	90	Very high	75 Å²	75	68.5 Å²	68.5	46%	0.455	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.6	162.7	-172.3	0	0	0	0	108.3	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.36Å; Q31-V85 PolarHBondContact O-N 2.98Å; V85-Y87 HydrophobicContact CB-CE2 3.99Å; V85-Y87 HydrophobicContact CG1-CD1 4.43Å; V85-Y87 HydrophobicContact CG1-CD2 4.36Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.68Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.35Å
86	Y	96.5	Very high	89.6	Confident	50 Å²	50	72.3 Å²	72.3	20%	0.196	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.1	178.8	-70.4	-89.9	0	0	0	109.5	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.24Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 CarbonylContact O-C 3.5Å; V29-Y86 WeakPolarHBondContact O-CA 3.26Å; K30-Y86 HydrophobicContact CB-CD1 4.2Å; K30-Y86 HydrophobicContact CB-CE1 3.99Å; K30-Y86 HydrophobicContact CD-CE1 4.05Å; K30-Y86 HydrophobicContact CG-CD1 4.32Å; K30-Y86 HydrophobicContact CG-CE1 3.83Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.7Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.01Å; M73-Y86 HydrophobicContact CE-CG 4.31Å; L75-Y86 HydrophobicContact CD1-CD1 4.39Å; L75-Y86 HydrophobicContact CD1-CE1 3.6Å; L75-Y86 HydrophobicContact CD1-CE2 4.32Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.41Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 3.46Å; A84-Y86 HydrophobicContact CB-CD2 4.5Å; A84-Y86 HydrophobicContact CB-CE2 4Å
87	Y	96.1	Very high	89.3	Confident	101 Å²	101	74.5 Å²	74.5	40%	0.396	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.4	180	-56.4	-82.5	0	0	0	110.3	W28 V29 Q31 L37 V85	W28-Y87 WeakPolarHBondContact CA-O 3.27Å; V29-Y87 PolarHBondContact N-O 2.98Å; V29-Y87 PolarHBondContact O-N 3.46Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 2.98Å; L37-Y87 HydrophobicContact CD2-CD2 4.46Å; L37-Y87 HydrophobicContact CD2-CE2 4.46Å; V85-Y87 HydrophobicContact CB-CE2 3.99Å; V85-Y87 HydrophobicContact CG1-CD1 4.43Å; V85-Y87 HydrophobicContact CG1-CD2 4.36Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.68Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.35Å
88	C	95.9	Very high	89	Confident	49 Å²	49	74.2 Å²	74.2	33%	0.331	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.2	162.7	62.6	0	0	0	0	109.3	C14 M26 Y27 W28	C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 VanDerWaalsContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 3.33Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.6Å; M26-C88 HydrophobicContact CG-CB 4.38Å; M26-C88 HydrophobicContact SD-CB 3.76Å; Y27-C88 VanDerWaalsContact O-CA 3.23Å; Y27-C88 WeakPolarHBondContact O-CA 3.26Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å
89	T	95.1	Very high	88.7	Confident	46 Å²	46	78.4 Å²	78.4	28%	0.282	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.6	179.1	179.5	0	0	0	0	110.2	Y27 V29 N91 W92	Y27-T89 WeakPolarHBondContact CB-O 3.35Å; Y27-T89 WeakPolarHBondContact CD2-O 3.48Å; Y27-T89 PolarHBondContact N-O 2.69Å; Y27-T89 PolarHBondContact O-N 3.4Å; V29-T89 HydrophobicContact CG2-CG2 4.4Å; T89-N91 WeakPolarHBondContact CG2-O 3.39Å; T89-N91 PolarHBondContact OG1-N 2.94Å; T89-N91 VanDerWaalsContact OG1-N 3.08Å; T89-N91 PolarHBondContact OG1-O 2.62Å; T89-W92 HydrophobicContact CG2-CE3 4.25Å
90	T	92.8	Very high	88.4	Confident	34 Å²	34	79.1 Å²	79.1	21%	0.209	49%	0.486	C	S	.	.	S	Bend	trans	-91.3	-13.8	169.3	53.3	0	0	0	0	113.2	Y19 Y24 Y25 M26	Y19-T90 HydrophobicContact CE1-CG2 4.31Å; Y19-T90 HydrophobicContact CE2-CG2 3.87Å; Y19-T90 WeakPolarHBondContact OH-CG2 3.12Å; Y24-T90 HydrophobicContact CG-CG2 4.47Å; Y25-T90 WeakPolarHBondContact O-CA 3.38Å; M26-T90 HydrophobicContact CE-CG2 4.32Å
91	N	83.3	Confident	88.3	Confident	120 Å²	120	77.1 Å²	77.1	64%	0.642	47%	0.466	S	S	*	.			trans	-117	108.7	-178.9	-64.6	-28.1	0	0	0	108.4	T89	T89-N91 WeakPolarHBondContact CG2-O 3.39Å; T89-N91 PolarHBondContact OG1-N 2.94Å; T89-N91 VanDerWaalsContact OG1-N 3.08Å; T89-N91 PolarHBondContact OG1-O 2.62Å
92	W	67.5	Low	88.2	Confident	108 Å²	108	72.6 Å²	72.6	41%	0.409	45%	0.454	S	S	.	.			trans	-118.8	93.5	168.1	-170	-103.3	0	0	0	107.4	Y27 V29 L37 W39 T89	Y27-W92 HydrophobicContact CD1-CB 3.41Å; Y27-W92 VanDerWaalsContact CD1-CB 3.41Å; Y27-W92 AromaticContact CD1-CG 3.86Å; Y27-W92 HydrophobicContact CD1-CG 3.86Å; Y27-W92 HydrophobicContact CD2-CB 3.68Å; Y27-W92 HydrophobicContact CE1-CB 3.67Å; Y27-W92 HydrophobicContact CE1-CG 4.26Å; Y27-W92 HydrophobicContact CE2-CB 3.94Å; Y27-W92 HydrophobicContact CG-CB 3.44Å; Y27-W92 VanDerWaalsContact CG-CB 3.44Å; Y27-W92 HydrophobicContact CG-CG 4.2Å; V29-W92 HydrophobicContact CB-CH2 4.41Å; V29-W92 HydrophobicContact CB-CZ3 4.05Å; V29-W92 HydrophobicContact CG1-CH2 3.59Å; V29-W92 HydrophobicContact CG1-CZ3 3.6Å; V29-W92 HydrophobicContact CG2-CD2 4.45Å; V29-W92 HydrophobicContact CG2-CE3 3.54Å; V29-W92 HydrophobicContact CG2-CH2 3.86Å; V29-W92 HydrophobicContact CG2-CZ3 3.21Å; L37-W92 HydrophobicContact CB-CH2 4.04Å; L37-W92 HydrophobicContact CD1-CH2 4.49Å; L37-W92 HydrophobicContact CD1-CZ3 4.4Å; W39-W92 HydrophobicContact CB-CH2 4.38Å; W39-W92 HydrophobicContact CB-CZ2 3.63Å; W39-W92 AromaticContact CD1-CE2 3.79Å; W39-W92 AromaticContact CD1-NE1 3.8Å; W39-W92 HydrophobicContact CG-CZ2 4.25Å; T89-W92 HydrophobicContact CG2-CE3 4.25Å
93	G	55.8	Low	87.9	Confident	151 Å²	151	78 Å²	78	100%	1.557	49%	0.489	S	S	*	.			trans	-161.3	0	-175.7	0	0	0	0	0	109.7

Retrieved 93 of 93 residues in 19.2 ms (Link to these results)

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