X5J4Z8_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Z8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 116 aa.

						>X5J4Z8_MOUSE|X5J4Z8
AELVKPGASVKMSCKASGYTFTSYWITWVKQRPGQGLEWIGDIYPGSGSTNYNEKFKSKATLTVDTSSSTAYMQLSSLTSEDSAVYYCARLWAITTVVAKDWYFDVWGTGTTVTVS
					

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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	79.9	Confident	94.6	Very high	113 Å²	113	77.6 Å²	77.6	93%	0.934	47%	0.465	S	S	*	.				0	135.6	0	0	0	0	0	0	108	T112	A1-T112 CarbonylContact C-O 3.47Å; A1-T112 WeakPolarHBondContact CA-O 3.32Å
2	E	90	Very high	94.8	Very high	81 Å²	81	72.1 Å²	72.1	38%	0.379	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126	-174.1	-161.3	172.8	156	0	0	110	V4 V10 T112 V113 T114	E2-V4 HydrophobicContact CG-CG1 3.86Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.49Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.4Å; E2-T112 PolarHBondContact N-O 3.24Å; E2-V113 WeakPolarHBondContact O-CA 3.31Å; E2-T114 PolarHBondContact O-N 3.4Å
3	L	95.9	Very high	95	Very high	128 Å²	128	72.8 Å²	72.8	67%	0.67	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.3	175.5	-178.1	66.1	0	0	0	108.4	T114 S116	L3-T114 WeakPolarHBondContact CA-O 3.5Å; L3-T114 HydrophobicContact CD1-CG2 3.74Å; L3-S116 WeakPolarHBondContact CD1-OG 3.38Å
4	V	96.3	Very high	95.2	Very high	16 Å²	16	68.7 Å²	68.7	10%	0.097	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.9	-174.9	-60.1	0	0	0	0	111	E2 A8 L78 V113 T114 V115 S116	E2-V4 HydrophobicContact CG-CG1 3.86Å; V4-A8 HydrophobicContact CB-CB 4.3Å; V4-L78 HydrophobicContact CG2-CD1 3.54Å; V4-V113 HydrophobicContact CG2-CG1 4.09Å; V4-T114 PolarHBondContact N-O 3.4Å; V4-V115 HydrophobicContact CG2-CB 4.37Å; V4-V115 HydrophobicContact CG2-CG1 4.43Å; V4-V115 HydrophobicContact CG2-CG2 3.81Å; V4-V115 WeakPolarHBondContact O-CA 3.43Å; V4-S116 PolarHBondContact O-N 2.99Å; V4-S116 VanDerWaalsContact O-N 3.16Å
5	K	96.8	Very high	95.3	Very high	164 Å²	164	74.7 Å²	74.7	71%	0.713	44%	0.435	S	S	*	.			trans	-80.4	152	176.4	-64.4	-178	-179.1	-179.7	0	110.8	G7 A8	K5-G7 PolarHBondContact O-N 3.27Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3Å; K5-A8 VanDerWaalsContact O-N 3.1Å
6	P	97.4	Very high	95.3	Very high	80 Å²	80	70.7 Å²	70.7	52%	0.519	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	139.6	168.4	-25.5	34.1	0	0	0	112.1	A8 L78 V115	P6-A8 PolarHBondContact O-N 2.99Å; P6-L78 WeakPolarHBondContact CA-O 3.45Å; P6-V115 HydrophobicContact CB-CG1 4.39Å; P6-V115 HydrophobicContact CG-CG1 4.14Å
7	G	96.3	Very high	95.2	Very high	54 Å²	54	72.5 Å²	72.5	56%	0.557	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-11.4	-176.3	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3.27Å; G7-L78 PolarHBondContact N-O 3.48Å
8	A	96.9	Very high	95.1	Very high	34 Å²	34	73.4 Å²	73.4	28%	0.281	46%	0.458	S	S	.	.			trans	-68.4	169	175.5	0	0	0	0	0	112.1	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.3Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3Å; K5-A8 VanDerWaalsContact O-N 3.1Å; P6-A8 PolarHBondContact O-N 2.99Å; A8-S77 PolarHBondContact O-N 2.79Å; A8-L78 WeakPolarHBondContact O-CG 3.09Å; A8-L78 PolarHBondContact O-N 2.02Å; A8-L78 VanDerWaalsContact O-N 3.08Å
9	S	97.1	Very high	94.8	Very high	61 Å²	61	72.1 Å²	72.1	43%	0.427	44%	0.444	S	S	.	.			trans	-117.3	145.3	170.7	-56.8	0	0	0	0	110	L75 S76	S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.48Å; S9-L75 WeakPolarHBondContact CB-O 3.36Å; S9-S76 WeakPolarHBondContact OG-CA 3.37Å
10	V	97.1	Very high	94.8	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.012	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.4	175.2	64.7	0	0	0	0	109.8	E2 M12 Q74 L75 L78 V113	E2-V10 WeakPolarHBondContact OE1-CG2 3.49Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.4Å; V10-M12 HydrophobicContact CG1-CE 4.41Å; V10-Q74 CarbonylContact O-C 3.37Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.48Å; V10-L75 HydrophobicContact CG1-CB 3.99Å; V10-L75 HydrophobicContact CG1-CD1 4.39Å; V10-L75 PolarHBondContact N-O 2.92Å; V10-L75 PolarHBondContact O-N 2.95Å; V10-L78 HydrophobicContact CB-CD1 4.13Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-V113 HydrophobicContact CG1-CG1 4.5Å
11	K	97.4	Very high	94.8	Very high	121 Å²	121	69.7 Å²	69.7	53%	0.526	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.3	172.4	-174.9	178.8	-179.8	179.4	0	109.3	Y72 M73 Q74	K11-Y72 HydrophobicContact CD-CD1 4.49Å; K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.45Å; K11-M73 WeakPolarHBondContact CA-O 3.48Å; K11-Q74 HydrophobicContact CG-CB 4.5Å
12	M	96.9	Very high	95.6	Very high	11 Å²	11	67 Å²	67	5%	0.054	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	150.6	175.7	52.9	-178.9	78.4	0	0	111.3	V10 W28 Y72 M73 L75 Y86 T111 V113	V10-M12 HydrophobicContact CG1-CE 4.41Å; M12-W28 HydrophobicContact CB-CH2 4.39Å; M12-W28 HydrophobicContact CB-CZ3 4.3Å; M12-W28 HydrophobicContact CG-CE3 4.28Å; M12-W28 HydrophobicContact CG-CH2 3.85Å; M12-W28 HydrophobicContact CG-CZ3 3.56Å; M12-W28 HydrophobicContact SD-CE3 3.82Å; M12-W28 HydrophobicContact SD-CH2 4.32Å; M12-W28 HydrophobicContact SD-CZ3 3.44Å; M12-W28 WeakPolarHBondContact SD-CZ3 3.37Å; M12-Y72 CarbonylContact O-C 3.56Å; M12-Y72 WeakPolarHBondContact O-CA 3.29Å; M12-M73 HydrophobicContact CE-CE 3.74Å; M12-M73 HydrophobicContact CG-CB 3.93Å; M12-M73 HydrophobicContact CG-CE 3.96Å; M12-M73 VanDerWaalsContact CG-O 3.31Å; M12-M73 WeakPolarHBondContact CG-O 3.49Å; M12-M73 PolarHBondContact N-O 2.66Å; M12-M73 PolarHBondContact O-N 2.81Å; M12-M73 HydrophobicContact SD-CE 3.19Å; M12-M73 WeakPolarHBondContact SD-CE 3.41Å; M12-L75 HydrophobicContact CE-CD1 4.25Å; M12-Y86 HydrophobicContact CE-CD1 4.07Å; M12-Y86 HydrophobicContact CE-CD2 3.89Å; M12-Y86 HydrophobicContact CE-CG 3.59Å; M12-Y86 VanDerWaalsContact SD-CB 3.56Å; M12-Y86 HydrophobicContact SD-CD1 4.43Å; M12-Y86 HydrophobicContact SD-CG 4.09Å; M12-T111 HydrophobicContact CB-CG2 4.35Å; M12-T111 HydrophobicContact CE-CG2 4.15Å; M12-T111 HydrophobicContact SD-CG2 4.19Å; M12-V113 HydrophobicContact CE-CG2 3.94Å
13	S	97.6	Very high	95.7	Very high	81 Å²	81	65.8 Å²	65.8	57%	0.566	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.6	-179.1	63.7	0	0	0	0	111.3	A71 Y72	S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.32Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å
14	C	97.5	Very high	95.6	Very high	16 Å²	16	61.5 Å²	61.5	11%	0.108	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	102.7	175.9	-179.6	0	0	0	0	108.3	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.83Å; C14-T70 CarbonylContact O-C 3.51Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; C14-A71 HydrophobicContact CB-CB 4.47Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 3.16Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.87Å
15	K	97.2	Very high	95.6	Very high	158 Å²	158	63.3 Å²	63.3	69%	0.687	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	121	179.3	-173.9	173.3	-177.2	177.1	0	110	T70	K15-T70 HydrophobicContact CB-CG2 4.47Å
16	A	95.2	Very high	95.6	Very high	11 Å²	11	55.5 Å²	55.5	9%	0.091	35%	0.348	C	S	.	.			trans	-80.6	149.2	176.1	0	0	0	0	0	111.7	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.97Å; A16-Y19 HydrophobicContact CB-CE2 4.08Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.06Å; A16-F21 HydrophobicContact CB-CB 4.15Å; A16-F21 HydrophobicContact CB-CD2 3.23Å; A16-F21 HydrophobicContact CB-CE2 3.82Å; A16-F21 HydrophobicContact CB-CG 3.98Å; A16-S69 PolarHBondContact N-O 3.18Å
17	S	93.6	Very high	95.6	Very high	102 Å²	102	51.7 Å²	51.7	71%	0.713	32%	0.323	S	S	*	.			trans	-150.7	151.8	172.1	62.6	0	0	0	0	110.1	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; S17-Y19 PolarHBondContact O-N 3.04Å
18	G	92.3	Very high	95.7	Very high	89 Å²	89	49.4 Å²	49.4	92%	0.918	30%	0.298	S	S	*	.	S	Bend	trans	80.2	7.4	176.6	0	0	0	0	0	116.1
19	Y	90.4	Very high	95.8	Very high	47 Å²	47	47.9 Å²	47.9	18%	0.184	29%	0.285	C	S	.	.	S	Bend	trans	-154.8	164.7	174.1	62	-87.4	0	0	0	112	A16 S17 F21 Y24 R90	A16-Y19 HydrophobicContact CB-CE1 3.97Å; A16-Y19 HydrophobicContact CB-CE2 4.08Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.06Å; S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; S17-Y19 PolarHBondContact O-N 3.04Å; Y19-F21 HydrophobicContact CE2-CD2 4.39Å; Y19-F21 PolarHBondContact O-N 3.05Å; Y19-Y24 AromaticContact CD2-CD2 3.52Å; Y19-Y24 HydrophobicContact CD2-CD2 3.52Å; Y19-Y24 AromaticContact CD2-CE2 3.84Å; Y19-Y24 HydrophobicContact CD2-CE2 3.84Å; Y19-Y24 HydrophobicContact CD2-CG 4.08Å; Y19-Y24 HydrophobicContact CE2-CD2 4.03Å; Y19-Y24 HydrophobicContact CE2-CG 4.23Å; Y19-Y24 HydrophobicContact CG-CE2 4.45Å; Y19-R90 HydrophobicContact CE2-CG 4.25Å
20	T	94.6	Very high	95.8	Very high	88 Å²	88	45 Å²	45	54%	0.54	27%	0.265	S	S	.	.			trans	-70.4	93.5	174.8	-51.9	0	0	0	0	110.2	T22 S23 Y24	T20-T22 PolarHBondContact O-N 3.22Å; T20-S23 WeakPolarHBondContact CG2-OG 3.37Å; T20-S23 WeakPolarHBondContact O-CB 3.45Å; T20-S23 PolarHBondContact O-N 3.16Å; T20-Y24 WeakPolarHBondContact O-CD2 3.42Å
21	F	95	Very high	95.8	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.026	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-50.9	-35	-174.1	178.2	-118.1	0	0	0	114.7	A16 Y19 S23 I26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.15Å; A16-F21 HydrophobicContact CB-CD2 3.23Å; A16-F21 HydrophobicContact CB-CE2 3.82Å; A16-F21 HydrophobicContact CB-CG 3.98Å; Y19-F21 HydrophobicContact CE2-CD2 4.39Å; Y19-F21 PolarHBondContact O-N 3.05Å; F21-S23 PolarHBondContact O-N 2.65Å; F21-I26 HydrophobicContact CD2-CD1 3.99Å; F21-I26 HydrophobicContact CD2-CG1 4.3Å; F21-I26 HydrophobicContact CE2-CD1 3.66Å; F21-I26 HydrophobicContact CE2-CG1 3.57Å; F21-I26 HydrophobicContact CZ-CG1 4.23Å; F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.08Å; F21-P45 HydrophobicContact CD2-CG 4.22Å; F21-P45 HydrophobicContact CE1-CB 3.6Å; F21-P45 HydrophobicContact CE1-CG 3.71Å; F21-P45 HydrophobicContact CE2-CG 3.88Å; F21-P45 HydrophobicContact CG-CB 4.44Å; F21-P45 HydrophobicContact CG-CG 4.35Å; F21-P45 HydrophobicContact CZ-CB 4.03Å; F21-P45 HydrophobicContact CZ-CG 3.59Å; F21-P45 WeakPolarHBondContact O-CG 3.19Å; F21-V64 HydrophobicContact CE1-CG2 3.32Å; F21-V64 HydrophobicContact CZ-CG2 3.59Å; F21-S69 VanDerWaalsContact CD1-CA 3.45Å; F21-A71 HydrophobicContact CE2-CB 4.41Å; F21-A71 HydrophobicContact CZ-CB 4.01Å
22	T	95.9	Very high	95.8	Very high	58 Å²	58	44.7 Å²	44.7	36%	0.356	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-73.7	-5.4	-179.6	51.3	0	0	0	0	115.5	T20 Y44 G46 T66	T20-T22 PolarHBondContact O-N 3.22Å; T22-Y44 PolarHBondContact O-OH 2.8Å; T22-G46 WeakPolarHBondContact O-CA 3.31Å; T22-G46 PolarHBondContact O-N 3.08Å; T22-T66 HydrophobicContact CG2-CG2 3.92Å
23	S	93.4	Very high	95.6	Very high	55 Å²	55	49.9 Å²	49.9	39%	0.385	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-102.5	0.5	-178	-53.3	0	0	0	0	114.2	T20 F21	T20-S23 WeakPolarHBondContact CG2-OG 3.37Å; T20-S23 WeakPolarHBondContact O-CB 3.45Å; T20-S23 PolarHBondContact O-N 3.16Å; F21-S23 PolarHBondContact O-N 2.65Å
24	Y	93.2	Very high	95.4	Very high	38 Å²	38	50.5 Å²	50.5	15%	0.149	32%	0.316	C	S	.	.	S	Bend	trans	-133.8	145.3	-171.8	-61.8	-104.6	0	0	0	111.2	Y19 T20 P45 R90 W92	Y19-Y24 AromaticContact CD2-CD2 3.52Å; Y19-Y24 HydrophobicContact CD2-CD2 3.52Å; Y19-Y24 AromaticContact CD2-CE2 3.84Å; Y19-Y24 HydrophobicContact CD2-CE2 3.84Å; Y19-Y24 HydrophobicContact CD2-CG 4.08Å; Y19-Y24 HydrophobicContact CE2-CD2 4.03Å; Y19-Y24 HydrophobicContact CE2-CG 4.23Å; Y19-Y24 HydrophobicContact CG-CE2 4.45Å; T20-Y24 WeakPolarHBondContact O-CD2 3.42Å; Y24-P45 WeakPolarHBondContact O-CD 3.29Å; Y24-R90 HydrophobicContact CD1-CG 3.63Å; Y24-R90 HydrophobicContact CE1-CG 4.49Å; Y24-R90 HydrophobicContact CG-CG 3.92Å; Y24-W92 HydrophobicContact CD1-CD2 4.13Å; Y24-W92 AromaticContact CD1-CE3 3.15Å; Y24-W92 HydrophobicContact CD1-CE3 3.15Å; Y24-W92 AromaticContact CD1-CZ3 3.53Å; Y24-W92 HydrophobicContact CD1-CZ3 3.53Å; Y24-W92 AromaticContact CE1-CD2 3.72Å; Y24-W92 HydrophobicContact CE1-CD2 3.72Å; Y24-W92 AromaticContact CE1-CE3 2.88Å; Y24-W92 HydrophobicContact CE1-CE3 2.88Å; Y24-W92 AromaticContact CE1-CH2 3.87Å; Y24-W92 HydrophobicContact CE1-CH2 3.87Å; Y24-W92 AromaticContact CE1-CZ3 2.95Å; Y24-W92 HydrophobicContact CE1-CZ3 2.95Å; Y24-W92 HydrophobicContact CE2-CZ3 4.06Å; Y24-W92 HydrophobicContact CG-CE3 4.2Å; Y24-W92 HydrophobicContact CG-CZ3 4.29Å; Y24-W92 AromaticContact CZ-CE3 3.7Å; Y24-W92 AromaticContact CZ-CH2 3.86Å; Y24-W92 AromaticContact CZ-CZ3 3.21Å; Y24-W92 WeakPolarHBondContact OH-CZ3 3.46Å
25	W	95.8	Very high	95.3	Very high	53 Å²	53	54.1 Å²	54.1	20%	0.201	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	141.7	169.1	-71.2	86.7	0	0	0	110	D42 I43 Y44 S49 N51 L91	W25-D42 HydrophobicContact CE3-CB 4.01Å; W25-D42 WeakPolarHBondContact CZ3-OD1 3.19Å; W25-I43 VanDerWaalsContact CE3-C 3.46Å; W25-Y44 AromaticContact CD1-CD2 3.67Å; W25-Y44 AromaticContact CD2-CD2 3.93Å; W25-Y44 HydrophobicContact CD2-CD2 3.93Å; W25-Y44 HydrophobicContact CD2-CG 4.22Å; W25-Y44 AromaticContact CE2-CD2 3.79Å; W25-Y44 AromaticContact CE2-CG 3.97Å; W25-Y44 VanDerWaalsContact CE3-N 3.32Å; W25-Y44 AromaticContact CG-CD2 3.86Å; W25-Y44 HydrophobicContact CG-CD2 3.86Å; W25-Y44 HydrophobicContact CZ2-CD2 4.47Å; W25-Y44 HydrophobicContact CZ2-CG 4.22Å; W25-Y44 AromaticContact NE1-CD2 3.59Å; W25-S49 WeakPolarHBondContact CZ3-O 3.38Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.04Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.41Å; W25-L91 HydrophobicContact CB-CB 3.84Å; W25-L91 HydrophobicContact CB-CD2 4.03Å; W25-L91 HydrophobicContact CB-CG 4.2Å; W25-L91 HydrophobicContact CG-CD2 4.47Å; W25-L91 PolarHBondContact N-O 2.8Å; W25-L91 PolarHBondContact O-N 2.83Å
26	I	97.3	Very high	95.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.6	171.9	-50.5	-61.7	0	0	0	107.7	F21 D42 I43 P45 A71 C88	F21-I26 HydrophobicContact CD2-CD1 3.99Å; F21-I26 HydrophobicContact CD2-CG1 4.3Å; F21-I26 HydrophobicContact CE2-CD1 3.66Å; F21-I26 HydrophobicContact CE2-CG1 3.57Å; F21-I26 HydrophobicContact CZ-CG1 4.23Å; I26-D42 CarbonylContact O-C 3.58Å; I26-D42 WeakPolarHBondContact O-CA 3.14Å; I26-D42 WeakPolarHBondContact O-CB 3.39Å; I26-I43 HydrophobicContact CB-CG2 4.19Å; I26-I43 PolarHBondContact N-O 3.33Å; I26-I43 PolarHBondContact O-N 3.48Å; I26-P45 HydrophobicContact CG1-CG 3.88Å; I26-A71 HydrophobicContact CB-CB 4.11Å; I26-A71 HydrophobicContact CG1-CB 4.23Å; I26-A71 HydrophobicContact CG2-CB 3.79Å; I26-C88 HydrophobicContact CG2-CB 4.32Å
27	T	97.4	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	149.6	-179.9	-144.5	0	0	0	0	110.7	V29 W39 G41 C88 A89 F104	T27-V29 HydrophobicContact CG2-CG2 3.96Å; T27-W39 PolarHBondContact OG1-NE1 3.06Å; T27-G41 PolarHBondContact OG1-O 2.82Å; T27-C88 CarbonylContact O-C 3.6Å; T27-C88 WeakPolarHBondContact O-CA 3.26Å; T27-A89 HydrophobicContact CG2-CB 3.65Å; T27-A89 PolarHBondContact N-O 2.8Å; T27-A89 PolarHBondContact O-N 2.88Å; T27-F104 HydrophobicContact CG2-CD1 3.66Å; T27-F104 HydrophobicContact CG2-CE1 3.3Å; T27-F104 HydrophobicContact CG2-CE2 4.46Å; T27-F104 HydrophobicContact CG2-CG 4.4Å; T27-F104 HydrophobicContact CG2-CZ 3.75Å
28	W	98.3	Very high	95.4	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.019	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136	172.4	-67.9	90.7	0	0	0	110.4	M12 C14 I40 G41 L62 A71 M73 Y87 C88	M12-W28 HydrophobicContact CB-CH2 4.39Å; M12-W28 HydrophobicContact CB-CZ3 4.3Å; M12-W28 HydrophobicContact CG-CE3 4.28Å; M12-W28 HydrophobicContact CG-CH2 3.85Å; M12-W28 HydrophobicContact CG-CZ3 3.56Å; M12-W28 HydrophobicContact SD-CE3 3.82Å; M12-W28 HydrophobicContact SD-CH2 4.32Å; M12-W28 HydrophobicContact SD-CZ3 3.44Å; M12-W28 WeakPolarHBondContact SD-CZ3 3.37Å; C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.83Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.38Å; W28-I40 PolarHBondContact O-N 2.88Å; W28-G41 PolarHBondContact N-O 2.91Å; W28-L62 HydrophobicContact CG-CD2 4.17Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å; W28-M73 HydrophobicContact CB-CE 4.43Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-SD 4.24Å; W28-M73 HydrophobicContact CE3-CB 3.99Å; W28-M73 HydrophobicContact CE3-CE 3.88Å; W28-M73 HydrophobicContact CE3-SD 4.44Å; W28-M73 HydrophobicContact CG-CB 4.08Å; W28-M73 HydrophobicContact CG-SD 4.03Å; W28-M73 HydrophobicContact CH2-CB 4.22Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 4.27Å; W28-Y87 WeakPolarHBondContact CA-O 3.25Å; W28-C88 HydrophobicContact CD2-CB 4.27Å; W28-C88 HydrophobicContact CE3-CB 4.04Å; W28-C88 HydrophobicContact CH2-CB 4.22Å; W28-C88 HydrophobicContact CZ2-CB 4.41Å; W28-C88 HydrophobicContact CZ3-CB 4.01Å
29	V	98	Very high	95.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.1	-172.9	-177.8	0	0	0	0	109.7	T27 L37 E38 Y86 Y87 W107	T27-V29 HydrophobicContact CG2-CG2 3.96Å; V29-L37 HydrophobicContact CG1-CB 3.67Å; V29-L37 HydrophobicContact CG1-CD1 4.49Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.19Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.38Å; V29-Y86 CarbonylContact O-C 3.52Å; V29-Y86 WeakPolarHBondContact O-CA 3.47Å; V29-Y87 PolarHBondContact N-O 3.47Å; V29-Y87 PolarHBondContact O-N 2.93Å; V29-W107 HydrophobicContact CB-CZ3 4.19Å; V29-W107 HydrophobicContact CG1-CZ3 4.44Å; V29-W107 HydrophobicContact CG2-CH2 4.09Å; V29-W107 HydrophobicContact CG2-CZ3 4.04Å
30	K	97.7	Very high	96	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139	173.4	-177.1	179.9	-177.9	-179.5	0	109.7	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.17Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.79Å; K30-E38 PolarHBondContact O-N 2.98Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CD-CE1 3.96Å; K30-F56 HydrophobicContact CD-CZ 3.96Å; K30-E81 WeakPolarHBondContact CE-O 3.11Å; K30-E81 PolarHBondContact NZ-O 2.92Å; K30-D82 IonicContact NZ-OD1 2.65Å; K30-D82 PolarHBondContact NZ-OD1 2.89Å; K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.52Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.86Å; K30-Y86 HydrophobicContact CD-CE1 3.98Å; K30-Y86 WeakPolarHBondContact CE-OH 3.29Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å
31	Q	97.9	Very high	96.1	Very high	63 Å²	63	43.7 Å²	43.7	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	114.6	172.2	-169.7	-178.7	36.9	0	0	110.3	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 3.98Å; Q31-A84 WeakPolarHBondContact O-CA 3.39Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; Q31-V85 PolarHBondContact N-O 2.87Å; Q31-V85 PolarHBondContact O-N 3.13Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.79Å; Q31-Y87 PolarHBondContact OE1-OH 3.48Å
32	R	96.4	Very high	96.2	Very high	53 Å²	53	44 Å²	44	20%	0.2	26%	0.259	C	S	.	.			trans	-83.8	152	170.3	-60.3	-165.3	-169.7	89.2	0.6	110.5	K30 G34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.17Å; R32-G34 PolarHBondContact O-N 2.81Å; R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 2.79Å; R32-E38 IonicContact CZ-OE1 2.98Å; R32-E38 IonicContact NH1-OE1 3.62Å; R32-E38 PolarHBondContact NH1-OE1 2.89Å; R32-E81 PolarHBondContact NE-O 2.85Å; R32-E81 PolarHBondContact NH2-O 3Å; R32-A84 HydrophobicContact CG-CB 4.28Å
33	P	93.1	Very high	96.3	Very high	120 Å²	120	41.3 Å²	41.3	78%	0.779	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	126.9	172.8	-25.6	34.7	0	0	0	111.4	Q35	P33-Q35 PolarHBondContact O-N 2.87Å
34	G	94.1	Very high	96.5	Very high	94 Å²	94	41.9 Å²	41.9	97%	0.969	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	4.3	-179.7	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.81Å
35	Q	94.9	Very high	96.6	Very high	93 Å²	93	40.3 Å²	40.3	44%	0.435	23%	0.232	S	C	.	.	S	Bend	trans	-111.3	160.8	176.8	-60.4	-171.6	-4.8	0	0	111.7	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 2.79Å; P33-Q35 PolarHBondContact O-N 2.87Å
36	G	95	Very high	96.6	Very high	55 Å²	55	40 Å²	40	57%	0.567	25%	0.245	S	C	*	.			trans	-68	176.9	172.7	0	0	0	0	0	112.9
37	L	96	Very high	96.6	Very high	95 Å²	95	43.5 Å²	43.5	50%	0.497	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.5	173.8	-64.5	179.9	0	0	0	110.2	V29 Q31 W107	V29-L37 HydrophobicContact CG1-CB 3.67Å; V29-L37 HydrophobicContact CG1-CD1 4.49Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.19Å; Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 3.98Å; L37-W107 HydrophobicContact CD1-CH2 3.74Å; L37-W107 HydrophobicContact CD1-CZ2 4.36Å; L37-W107 HydrophobicContact CD1-CZ3 4.34Å
38	E	97.1	Very high	96.5	Very high	36 Å²	36	45.3 Å²	45.3	17%	0.168	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.4	174.5	-70.2	-173.5	-123	0	0	109.9	V29 K30 R32	V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.38Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.79Å; K30-E38 PolarHBondContact O-N 2.98Å; R32-E38 IonicContact CZ-OE1 2.98Å; R32-E38 IonicContact NH1-OE1 3.62Å; R32-E38 PolarHBondContact NH1-OE1 2.89Å
39	W	96.8	Very high	96.4	Very high	89 Å²	89	47.9 Å²	47.9	34%	0.337	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	130.2	175.1	176.5	71	0	0	0	111	T27 G41 D42 N51 N53	T27-W39 PolarHBondContact OG1-NE1 3.06Å; W39-G41 VanDerWaalsContact CZ2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 2.87Å; W39-D42 VanDerWaalsContact CZ2-OD2 3.24Å; W39-D42 WeakPolarHBondContact CZ2-OD2 3.33Å; W39-N51 HydrophobicContact CH2-CB 4.18Å; W39-N51 HydrophobicContact CZ2-CB 4.21Å; W39-N53 HydrophobicContact CE3-CB 3.66Å; W39-N53 HydrophobicContact CZ3-CB 3.75Å; W39-N53 VanDerWaalsContact O-CB 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.45Å; W39-N53 PolarHBondContact O-ND2 2.85Å
40	I	98	Very high	96.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-46.4	-179.3	-59.7	174.7	0	0	0	110.6	W28 K30 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.38Å; W28-I40 PolarHBondContact O-N 2.88Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; I40-N53 WeakPolarHBondContact O-CB 3.45Å; I40-N53 PolarHBondContact O-N 3.07Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.27Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.23Å; I40-F56 HydrophobicContact CG1-CE2 4.22Å; I40-F56 HydrophobicContact CG1-CG 4.29Å; I40-F56 HydrophobicContact CG1-CZ 4.2Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.14Å; I40-F56 HydrophobicContact CG2-CD2 4.3Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; I40-A60 HydrophobicContact CG2-CB 3.85Å; I40-M73 HydrophobicContact CB-SD 4.45Å; I40-M73 HydrophobicContact CD1-CE 3.73Å; I40-M73 HydrophobicContact CD1-SD 3.68Å; I40-M73 HydrophobicContact CG2-SD 3.77Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.78Å
41	G	97.3	Very high	96.4	Very high	0 Å²	0	54 Å²	54	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	174.2	-171.2	0	0	0	0	0	111.5	T27 W28 W39 N51	T27-G41 PolarHBondContact OG1-O 2.82Å; W28-G41 PolarHBondContact N-O 2.91Å; W39-G41 VanDerWaalsContact CZ2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 2.87Å; G41-N51 CarbonylContact C-O 3.52Å; G41-N51 WeakPolarHBondContact CA-O 3.17Å
42	D	97	Very high	96.4	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.064	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.6	173.3	51	63.6	0	0	0	111.9	W25 I26 W39 T50 N51 L62	W25-D42 HydrophobicContact CE3-CB 4.01Å; W25-D42 WeakPolarHBondContact CZ3-OD1 3.19Å; I26-D42 CarbonylContact O-C 3.58Å; I26-D42 WeakPolarHBondContact O-CA 3.14Å; I26-D42 WeakPolarHBondContact O-CB 3.39Å; W39-D42 VanDerWaalsContact CZ2-OD2 3.24Å; W39-D42 WeakPolarHBondContact CZ2-OD2 3.33Å; D42-T50 CarbonylContact O-C 3.6Å; D42-T50 VanDerWaalsContact O-CA 3.26Å; D42-T50 WeakPolarHBondContact O-CA 3.24Å; D42-N51 PolarHBondContact N-O 3.1Å; D42-N51 PolarHBondContact O-N 3.07Å; D42-N51 WeakPolarHBondContact OD1-CB 3.01Å; D42-N51 PolarHBondContact OD1-ND2 3.07Å; D42-L62 WeakPolarHBondContact O-CD1 2.98Å
43	I	97.7	Very high	96.4	Very high	3 Å²	3	53 Å²	53	2%	0.015	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.5	176.5	-174.7	164.2	0	0	0	109.6	W25 I26 P45 S49 T50 L62 V64 A71	W25-I43 VanDerWaalsContact CE3-C 3.46Å; I26-I43 HydrophobicContact CB-CG2 4.19Å; I26-I43 PolarHBondContact N-O 3.33Å; I26-I43 PolarHBondContact O-N 3.48Å; I43-P45 WeakPolarHBondContact O-CD 3.44Å; I43-S49 CarbonylContact C-O 3.57Å; I43-S49 WeakPolarHBondContact CA-O 3.34Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.81Å; I43-T50 HydrophobicContact CG1-CG2 3.73Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.41Å; I43-L62 HydrophobicContact CD1-CB 4.28Å; I43-L62 HydrophobicContact CG2-CB 4.49Å; I43-V64 HydrophobicContact CD1-CB 3.97Å; I43-V64 HydrophobicContact CD1-CG1 3.96Å; I43-A71 HydrophobicContact CG2-CB 4.33Å
44	Y	97	Very high	96.6	Very high	66 Å²	66	53.5 Å²	53.5	26%	0.259	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	107	172	-169.4	-112.9	0	0	0	109.8	T22 W25 G46 S47 G48 S49	T22-Y44 PolarHBondContact O-OH 2.8Å; W25-Y44 AromaticContact CD1-CD2 3.67Å; W25-Y44 AromaticContact CD2-CD2 3.93Å; W25-Y44 HydrophobicContact CD2-CD2 3.93Å; W25-Y44 HydrophobicContact CD2-CG 4.22Å; W25-Y44 AromaticContact CE2-CD2 3.79Å; W25-Y44 AromaticContact CE2-CG 3.97Å; W25-Y44 VanDerWaalsContact CE3-N 3.32Å; W25-Y44 AromaticContact CG-CD2 3.86Å; W25-Y44 HydrophobicContact CG-CD2 3.86Å; W25-Y44 HydrophobicContact CZ2-CD2 4.47Å; W25-Y44 HydrophobicContact CZ2-CG 4.22Å; W25-Y44 AromaticContact NE1-CD2 3.59Å; Y44-G46 PolarHBondContact O-N 2.87Å; Y44-G46 VanDerWaalsContact O-N 3.14Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.42Å; Y44-S47 PolarHBondContact O-N 3.11Å; Y44-G48 WeakPolarHBondContact O-CA 3.5Å; Y44-G48 PolarHBondContact O-N 2.78Å; Y44-S49 PolarHBondContact N-O 2.91Å
45	P	96.9	Very high	96.6	Very high	6 Å²	6	56.2 Å²	56.2	4%	0.039	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.2	-175.1	-27.1	39.1	0	0	0	114.3	F21 Y24 I26 I43 S47 V64 T66	F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.08Å; F21-P45 HydrophobicContact CD2-CG 4.22Å; F21-P45 HydrophobicContact CE1-CB 3.6Å; F21-P45 HydrophobicContact CE1-CG 3.71Å; F21-P45 HydrophobicContact CE2-CG 3.88Å; F21-P45 HydrophobicContact CG-CB 4.44Å; F21-P45 HydrophobicContact CG-CG 4.35Å; F21-P45 HydrophobicContact CZ-CB 4.03Å; F21-P45 HydrophobicContact CZ-CG 3.59Å; F21-P45 WeakPolarHBondContact O-CG 3.19Å; Y24-P45 WeakPolarHBondContact O-CD 3.29Å; I26-P45 HydrophobicContact CG1-CG 3.88Å; I43-P45 WeakPolarHBondContact O-CD 3.44Å; P45-S47 VanDerWaalsContact C-N 3.35Å; P45-S47 PolarHBondContact O-N 3.26Å; P45-V64 HydrophobicContact CB-CG2 3.69Å; P45-V64 HydrophobicContact CG-CG2 4.04Å; P45-T66 HydrophobicContact CB-CG2 4.45Å; P45-T66 WeakPolarHBondContact O-CG2 2.97Å
46	G	95.8	Very high	96.7	Very high	47 Å²	47	52.2 Å²	52.2	49%	0.485	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-26	-179.3	0	0	0	0	0	114.8	T22 Y44	T22-G46 WeakPolarHBondContact O-CA 3.31Å; T22-G46 PolarHBondContact O-N 3.08Å; Y44-G46 PolarHBondContact O-N 2.87Å; Y44-G46 VanDerWaalsContact O-N 3.14Å
47	S	95.9	Very high	96.7	Very high	74 Å²	74	55 Å²	55	52%	0.517	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-13.7	179.9	66.5	0	0	0	0	114	Y44 P45 S49	Y44-S47 WeakPolarHBondContact CD1-OG 3.42Å; Y44-S47 PolarHBondContact O-N 3.11Å; P45-S47 VanDerWaalsContact C-N 3.35Å; P45-S47 PolarHBondContact O-N 3.26Å; S47-S49 PolarHBondContact O-N 3.37Å; S47-S49 VanDerWaalsContact OG-CB 3.3Å; S47-S49 WeakPolarHBondContact OG-CB 3.4Å; S47-S49 PolarHBondContact OG-N 2.89Å; S47-S49 PolarHBondContact OG-OG 3.26Å
48	G	95.8	Very high	96.6	Very high	37 Å²	37	55.5 Å²	55.5	38%	0.381	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	7.4	-169.5	0	0	0	0	0	114.1	Y44	Y44-G48 WeakPolarHBondContact O-CA 3.5Å; Y44-G48 PolarHBondContact O-N 2.78Å
49	S	96.9	Very high	96.6	Very high	60 Å²	60	56.2 Å²	56.2	42%	0.42	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	139.3	176.8	-61.1	0	0	0	0	110.7	W25 I43 Y44 S47	W25-S49 WeakPolarHBondContact CZ3-O 3.38Å; I43-S49 CarbonylContact C-O 3.57Å; I43-S49 WeakPolarHBondContact CA-O 3.34Å; Y44-S49 PolarHBondContact N-O 2.91Å; S47-S49 PolarHBondContact O-N 3.37Å; S47-S49 VanDerWaalsContact OG-CB 3.3Å; S47-S49 WeakPolarHBondContact OG-CB 3.4Å; S47-S49 PolarHBondContact OG-N 2.89Å; S47-S49 PolarHBondContact OG-OG 3.26Å
50	T	97.6	Very high	96.7	Very high	54 Å²	54	52.1 Å²	52.1	33%	0.331	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.8	-178.2	49.9	0	0	0	0	111.4	D42 I43 Y52 L62	D42-T50 CarbonylContact O-C 3.6Å; D42-T50 VanDerWaalsContact O-CA 3.26Å; D42-T50 WeakPolarHBondContact O-CA 3.24Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.81Å; I43-T50 HydrophobicContact CG1-CG2 3.73Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.37Å; T50-L62 HydrophobicContact CG2-CB 3.99Å
51	N	96.9	Very high	96.7	Very high	77 Å²	77	55.5 Å²	55.5	41%	0.412	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149	167.1	-57.1	-61.4	0	0	0	109.4	W25 W39 G41 D42	W25-N51 WeakPolarHBondContact CH2-ND2 3.04Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.41Å; W39-N51 HydrophobicContact CH2-CB 4.18Å; W39-N51 HydrophobicContact CZ2-CB 4.21Å; G41-N51 CarbonylContact C-O 3.52Å; G41-N51 WeakPolarHBondContact CA-O 3.17Å; D42-N51 PolarHBondContact N-O 3.1Å; D42-N51 PolarHBondContact O-N 3.07Å; D42-N51 WeakPolarHBondContact OD1-CB 3.01Å; D42-N51 PolarHBondContact OD1-ND2 3.07Å
52	Y	97.7	Very high	96.7	Very high	55 Å²	55	56 Å²	56	22%	0.216	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.6	-179	-66.7	-87.2	0	0	0	110.7	T50 K57 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.37Å; Y52-K57 HydrophobicContact CG-CG 4.34Å; Y52-A60 HydrophobicContact CE1-CB 4.3Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.73Å; Y52-L62 PolarHBondContact OH-N 3.48Å; Y52-L62 VanDerWaalsContact OH-N 3.08Å
53	N	97.1	Very high	96.8	Very high	40 Å²	40	58.2 Å²	58.2	21%	0.214	33%	0.33	C	S	.	.			trans	-73.1	133.1	157.1	-177.5	-28.2	0	0	0	108.6	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.66Å; W39-N53 HydrophobicContact CZ3-CB 3.75Å; W39-N53 VanDerWaalsContact O-CB 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.45Å; W39-N53 PolarHBondContact O-ND2 2.85Å; I40-N53 WeakPolarHBondContact O-CB 3.45Å; I40-N53 PolarHBondContact O-N 3.07Å; N53-K55 PolarHBondContact O-N 3.1Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 2.81Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 2.83Å; N53-K57 PolarHBondContact O-N 3.46Å; N53-K57 VanDerWaalsContact O-N 3.07Å
54	E	96.6	Very high	96.8	Very high	130 Å²	130	60.1 Å²	60.1	61%	0.607	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.4	-178.5	-68.7	-60.2	145.6	0	0	113	F56 K57	E54-F56 PolarHBondContact O-N 3.13Å; E54-K57 IonicContact OE1-NZ 2.81Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 VanDerWaalsContact OE2-CD 3.32Å; E54-K57 WeakPolarHBondContact OE2-CD 3.33Å; E54-K57 IonicContact OE2-NZ 3.45Å; E54-K57 PolarHBondContact OE2-NZ 2.85Å
55	K	94.8	Very high	96.9	Very high	152 Å²	152	59.5 Å²	59.5	66%	0.661	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-27.9	175.2	-68.5	-175.6	-179.9	-179.7	0	114	N53	N53-K55 PolarHBondContact O-N 3.1Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 2.81Å
56	F	96.2	Very high	96.8	Very high	9 Å²	9	62.9 Å²	62.9	4%	0.039	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-10.8	-172.9	-63.4	-83.7	0	0	0	113.3	K30 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.96Å; K30-F56 HydrophobicContact CD-CZ 3.96Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.27Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.23Å; I40-F56 HydrophobicContact CG1-CE2 4.22Å; I40-F56 HydrophobicContact CG1-CG 4.29Å; I40-F56 HydrophobicContact CG1-CZ 4.2Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.14Å; I40-F56 HydrophobicContact CG2-CD2 4.3Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 2.83Å; E54-F56 PolarHBondContact O-N 3.13Å; F56-S58 PolarHBondContact O-N 3.26Å; F56-S58 VanDerWaalsContact O-N 3.1Å; F56-K59 PolarHBondContact O-N 2.9Å; F56-A60 HydrophobicContact CB-CB 4.23Å; F56-A60 WeakPolarHBondContact O-CB 3.32Å; F56-A60 PolarHBondContact O-N 2.91Å
57	K	95	Very high	96.8	Very high	113 Å²	113	65.6 Å²	65.6	49%	0.491	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31	-174.2	-166.8	177.1	-169.8	173.5	0	114.6	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.34Å; N53-K57 PolarHBondContact O-N 3.46Å; N53-K57 VanDerWaalsContact O-N 3.07Å; E54-K57 IonicContact OE1-NZ 2.81Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 VanDerWaalsContact OE2-CD 3.32Å; E54-K57 WeakPolarHBondContact OE2-CD 3.33Å; E54-K57 IonicContact OE2-NZ 3.45Å; E54-K57 PolarHBondContact OE2-NZ 2.85Å
58	S	95.5	Very high	96.9	Very high	106 Å²	106	63.8 Å²	63.8	74%	0.741	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.2	176.7	59	0	0	0	0	114.3	F56	F56-S58 PolarHBondContact O-N 3.26Å; F56-S58 VanDerWaalsContact O-N 3.1Å
59	K	96.1	Very high	97	Very high	50 Å²	50	64 Å²	64	22%	0.217	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-31.5	-175.3	-77.9	-171	166.3	-170.2	0	113.6	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.9Å; K59-L75 CarbonylContact O-C 3.48Å; K59-L75 WeakPolarHBondContact O-CA 3.11Å; K59-S76 PolarHBondContact O-N 2.87Å; K59-S76 PolarHBondContact O-OG 2.85Å; K59-D82 IonicContact NZ-OD1 3.85Å; K59-D82 IonicContact NZ-OD2 2.78Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å
60	A	98	Very high	97.1	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.033	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.1	-173	0	0	0	0	0	111.1	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.85Å; Y52-A60 HydrophobicContact CE1-CB 4.3Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; F56-A60 HydrophobicContact CB-CB 4.23Å; F56-A60 WeakPolarHBondContact O-CB 3.32Å; F56-A60 PolarHBondContact O-N 2.91Å; A60-M73 HydrophobicContact CB-SD 4.43Å; A60-Q74 CarbonylContact C-O 3.46Å; A60-Q74 WeakPolarHBondContact CA-O 3.19Å; A60-L75 HydrophobicContact CB-CD2 3.78Å
61	T	98.4	Very high	97.1	Very high	71 Å²	71	59 Å²	59	44%	0.436	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.4	170.1	-58	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.25Å; T61-M73 WeakPolarHBondContact O-CA 3.26Å; T61-Q74 PolarHBondContact N-O 3.34Å; T61-Q74 PolarHBondContact O-N 3.48Å
62	L	98.6	Very high	97.2	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.047	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.9	177.3	-53	-175.5	0	0	0	110.4	W28 D42 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.17Å; D42-L62 WeakPolarHBondContact O-CD1 2.98Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.41Å; I43-L62 HydrophobicContact CD1-CB 4.28Å; I43-L62 HydrophobicContact CG2-CB 4.49Å; T50-L62 HydrophobicContact CG2-CB 3.99Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.73Å; Y52-L62 PolarHBondContact OH-N 3.48Å; Y52-L62 VanDerWaalsContact OH-N 3.08Å; L62-Y72 WeakPolarHBondContact CA-O 3.2Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.13Å
63	T	98.4	Very high	97.2	Very high	59 Å²	59	55.2 Å²	55.2	36%	0.362	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	167	177.8	55.7	0	0	0	0	110.6	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.25Å; T63-Y72 PolarHBondContact N-O 3.45Å; T63-Y72 PolarHBondContact O-N 3.1Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.47Å
64	V	98.1	Very high	97.3	Very high	43 Å²	43	57.3 Å²	57.3	26%	0.261	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.3	-176.7	65.4	0	0	0	0	111.5	F21 I43 P45 T66	F21-V64 HydrophobicContact CE1-CG2 3.32Å; F21-V64 HydrophobicContact CZ-CG2 3.59Å; I43-V64 HydrophobicContact CD1-CB 3.97Å; I43-V64 HydrophobicContact CD1-CG1 3.96Å; P45-V64 HydrophobicContact CB-CG2 3.69Å; P45-V64 HydrophobicContact CG-CG2 4.04Å; V64-T66 HydrophobicContact CG2-CG2 4.39Å
65	D	97.8	Very high	97.3	Very high	54 Å²	54	51.3 Å²	51.3	29%	0.289	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	104	167.4	174.5	7.8	0	0	0	108.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.25Å; D65-S67 WeakPolarHBondContact OD1-CB 3.41Å; D65-S67 PolarHBondContact OD1-N 3.14Å; D65-S67 PolarHBondContact OD1-OG 2.97Å; D65-S68 PolarHBondContact OD1-N 2.98Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.28Å; D65-S68 PolarHBondContact OD2-OG 3.36Å; D65-S69 PolarHBondContact O-N 3.45Å; D65-S69 VanDerWaalsContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 2.9Å; D65-T70 PolarHBondContact O-N 2.91Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å
66	T	96.6	Very high	97.4	Very high	76 Å²	76	45.8 Å²	45.8	47%	0.466	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.6	-178.5	53.3	0	0	0	0	112.2	T22 P45 V64 S69	T22-T66 HydrophobicContact CG2-CG2 3.92Å; P45-T66 HydrophobicContact CB-CG2 4.45Å; P45-T66 WeakPolarHBondContact O-CG2 2.97Å; V64-T66 HydrophobicContact CG2-CG2 4.39Å; T66-S69 PolarHBondContact O-N 3.02Å
67	S	95.9	Very high	97.4	Very high	105 Å²	105	48.9 Å²	48.9	73%	0.734	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-36.8	179.4	75.8	0	0	0	0	112	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.25Å; D65-S67 WeakPolarHBondContact OD1-CB 3.41Å; D65-S67 PolarHBondContact OD1-N 3.14Å; D65-S67 PolarHBondContact OD1-OG 2.97Å
68	S	97.2	Very high	97.5	Very high	36 Å²	36	43.5 Å²	43.5	25%	0.252	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	1	177	67.8	0	0	0	0	113.8	D65 T70	D65-S68 PolarHBondContact OD1-N 2.98Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.28Å; D65-S68 PolarHBondContact OD2-OG 3.36Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3.35Å; S68-T70 PolarHBondContact O-OG1 2.79Å; S68-T70 VanDerWaalsContact O-OG1 3.13Å; S68-T70 WeakPolarHBondContact OG-CB 3.47Å; S68-T70 PolarHBondContact OG-OG1 2.89Å; S68-T70 VanDerWaalsContact OG-OG1 3.09Å
69	S	97.6	Very high	97.6	Very high	42 Å²	42	41 Å²	41	29%	0.294	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	43.4	-173	-62.2	0	0	0	0	113	A16 F21 D65 T66	A16-S69 PolarHBondContact N-O 3.18Å; F21-S69 VanDerWaalsContact CD1-CA 3.45Å; D65-S69 PolarHBondContact O-N 3.45Å; D65-S69 VanDerWaalsContact O-N 3.11Å; T66-S69 PolarHBondContact O-N 3.02Å
70	T	98.3	Very high	97.5	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.9	-174.4	-52.5	0	0	0	0	111.2	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.51Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; K15-T70 HydrophobicContact CB-CG2 4.47Å; D65-T70 PolarHBondContact N-O 2.9Å; D65-T70 PolarHBondContact O-N 2.91Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3.35Å; S68-T70 PolarHBondContact O-OG1 2.79Å; S68-T70 VanDerWaalsContact O-OG1 3.13Å; S68-T70 WeakPolarHBondContact OG-CB 3.47Å; S68-T70 PolarHBondContact OG-OG1 2.89Å; S68-T70 VanDerWaalsContact OG-OG1 3.09Å; T70-Y72 HydrophobicContact CG2-CD1 4.33Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å
71	A	98.3	Very high	97.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	150.3	167.4	0	0	0	0	0	109.8	S13 C14 F21 I26 W28 I43	S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.32Å; C14-A71 HydrophobicContact CB-CB 4.47Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 3.16Å; F21-A71 HydrophobicContact CE2-CB 4.41Å; F21-A71 HydrophobicContact CZ-CB 4.01Å; I26-A71 HydrophobicContact CB-CB 4.11Å; I26-A71 HydrophobicContact CG1-CB 4.23Å; I26-A71 HydrophobicContact CG2-CB 3.79Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å; I43-A71 HydrophobicContact CG2-CB 4.33Å
72	Y	98.4	Very high	97.3	Very high	52 Å²	52	45.8 Å²	45.8	20%	0.204	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.7	177.5	-56.3	-91.6	0	0	0	110.8	K11 M12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.49Å; K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.45Å; M12-Y72 CarbonylContact O-C 3.56Å; M12-Y72 WeakPolarHBondContact O-CA 3.29Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å; L62-Y72 WeakPolarHBondContact CA-O 3.2Å; T63-Y72 PolarHBondContact N-O 3.45Å; T63-Y72 PolarHBondContact O-N 3.1Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.47Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å; T70-Y72 HydrophobicContact CG2-CD1 4.33Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å
73	M	98.4	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.4	165	176.7	175.6	68.4	0	0	108.6	K11 M12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.48Å; M12-M73 HydrophobicContact CE-CE 3.74Å; M12-M73 HydrophobicContact CG-CB 3.93Å; M12-M73 HydrophobicContact CG-CE 3.96Å; M12-M73 VanDerWaalsContact CG-O 3.31Å; M12-M73 WeakPolarHBondContact CG-O 3.49Å; M12-M73 PolarHBondContact N-O 2.66Å; M12-M73 PolarHBondContact O-N 2.81Å; M12-M73 HydrophobicContact SD-CE 3.19Å; M12-M73 WeakPolarHBondContact SD-CE 3.41Å; W28-M73 HydrophobicContact CB-CE 4.43Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-SD 4.24Å; W28-M73 HydrophobicContact CE3-CB 3.99Å; W28-M73 HydrophobicContact CE3-CE 3.88Å; W28-M73 HydrophobicContact CE3-SD 4.44Å; W28-M73 HydrophobicContact CG-CB 4.08Å; W28-M73 HydrophobicContact CG-SD 4.03Å; W28-M73 HydrophobicContact CH2-CB 4.22Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 4.27Å; I40-M73 HydrophobicContact CB-SD 4.45Å; I40-M73 HydrophobicContact CD1-CE 3.73Å; I40-M73 HydrophobicContact CD1-SD 3.68Å; I40-M73 HydrophobicContact CG2-SD 3.77Å; A60-M73 HydrophobicContact CB-SD 4.43Å; T61-M73 WeakPolarHBondContact O-CA 3.26Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.13Å; M73-L75 HydrophobicContact CE-CD1 3.89Å; M73-L75 HydrophobicContact CE-CD2 4.34Å; M73-L75 HydrophobicContact CE-CG 4.01Å; M73-L75 HydrophobicContact CG-CD2 4.4Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 4.03Å; M73-L75 HydrophobicContact SD-CG 4.23Å; M73-Y86 HydrophobicContact CE-CD1 3.72Å; M73-Y86 HydrophobicContact CE-CE1 4.23Å; M73-Y86 HydrophobicContact CE-CG 4.45Å
74	Q	98.3	Very high	97.2	Very high	85 Å²	85	44.4 Å²	44.4	40%	0.397	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.9	167.6	-174.9	173.8	8.2	0	0	108.9	V10 K11 A60 T61	V10-Q74 CarbonylContact O-C 3.37Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.48Å; K11-Q74 HydrophobicContact CG-CB 4.5Å; A60-Q74 CarbonylContact C-O 3.46Å; A60-Q74 WeakPolarHBondContact CA-O 3.19Å; T61-Q74 PolarHBondContact N-O 3.34Å; T61-Q74 PolarHBondContact O-N 3.48Å
75	L	97.6	Very high	97.2	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.1	170.3	-66.1	170.2	0	0	0	108.8	S9 V10 M12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.48Å; S9-L75 WeakPolarHBondContact CB-O 3.36Å; V10-L75 HydrophobicContact CG1-CB 3.99Å; V10-L75 HydrophobicContact CG1-CD1 4.39Å; V10-L75 PolarHBondContact N-O 2.92Å; V10-L75 PolarHBondContact O-N 2.95Å; M12-L75 HydrophobicContact CE-CD1 4.25Å; K59-L75 CarbonylContact O-C 3.48Å; K59-L75 WeakPolarHBondContact O-CA 3.11Å; A60-L75 HydrophobicContact CB-CD2 3.78Å; M73-L75 HydrophobicContact CE-CD1 3.89Å; M73-L75 HydrophobicContact CE-CD2 4.34Å; M73-L75 HydrophobicContact CE-CG 4.01Å; M73-L75 HydrophobicContact CG-CD2 4.4Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 4.03Å; M73-L75 HydrophobicContact SD-CG 4.23Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.44Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.44Å; L75-Y86 HydrophobicContact CD1-CE2 4.36Å
76	S	97.3	Very high	97.2	Very high	36 Å²	36	41.7 Å²	41.7	25%	0.252	25%	0.252	S	S	.	.			trans	-110.1	160.3	178.5	61.3	0	0	0	0	112.2	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.37Å; K59-S76 PolarHBondContact O-N 2.87Å; K59-S76 PolarHBondContact O-OG 2.85Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.77Å
77	S	96.3	Very high	97.3	Very high	74 Å²	74	40.3 Å²	40.3	52%	0.517	24%	0.239	S	C	.	.	S	Bend	trans	51.3	48.4	173.9	-58.3	0	0	0	0	112.9	A8	A8-S77 PolarHBondContact O-N 2.79Å
78	L	96.7	Very high	97.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.208	C	C	.	.			trans	-62.1	139.2	-174.7	-69.1	174.5	0	0	0	112.1	V4 P6 G7 A8 V10 L75 S76 D82 V113 V115	V4-L78 HydrophobicContact CG2-CD1 3.54Å; P6-L78 WeakPolarHBondContact CA-O 3.45Å; G7-L78 PolarHBondContact N-O 3.48Å; A8-L78 WeakPolarHBondContact O-CG 3.09Å; A8-L78 PolarHBondContact O-N 2.02Å; A8-L78 VanDerWaalsContact O-N 3.08Å; V10-L78 HydrophobicContact CB-CD1 4.13Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.77Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; L78-V113 HydrophobicContact CD1-CG1 4.47Å; L78-V115 HydrophobicContact CB-CG1 4.22Å; L78-V115 HydrophobicContact CB-CG2 4.01Å; L78-V115 HydrophobicContact CD1-CG2 4.32Å
79	T	96.6	Very high	97.4	Very high	54 Å²	54	34.4 Å²	34.4	33%	0.331	20%	0.197	S	C	.	.			trans	-117.3	170.4	172.6	65.4	0	0	0	0	110.4	E81 D82 V115	T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 VanDerWaalsContact N-OD2 3.11Å; T79-D82 WeakPolarHBondContact O-CA 3.41Å; T79-D82 WeakPolarHBondContact O-CB 3.39Å; T79-D82 PolarHBondContact O-N 2.86Å; T79-D82 PolarHBondContact OG1-OD2 2.87Å; T79-V115 WeakPolarHBondContact O-CB 3.38Å; T79-V115 WeakPolarHBondContact O-CG2 3.4Å
80	S	95.6	Very high	97.3	Very high	87 Å²	87	34.3 Å²	34.3	61%	0.608	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-54.6	-31.9	176	52.1	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 2.79Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.26Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 PolarHBondContact O-OG 3.08Å; S80-S83 VanDerWaalsContact O-OG 3.04Å
81	E	94.2	Very high	96.9	Very high	130 Å²	130	34.8 Å²	34.8	61%	0.607	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-66.3	-14.8	175.7	-59.6	-175.6	169.1	0	0	114.2	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.11Å; K30-E81 PolarHBondContact NZ-O 2.92Å; R32-E81 PolarHBondContact NE-O 2.85Å; R32-E81 PolarHBondContact NH2-O 3Å; T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82	D	96.1	Very high	96.2	Very high	7 Å²	7	39 Å²	39	4%	0.037	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-85.5	-2.3	173.7	-63.5	-44.9	0	0	0	113.1	K30 K59 L78 T79 S80 A84 Y86 V115	K30-D82 IonicContact NZ-OD1 2.65Å; K30-D82 PolarHBondContact NZ-OD1 2.89Å; K59-D82 IonicContact NZ-OD1 3.85Å; K59-D82 IonicContact NZ-OD2 2.78Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 VanDerWaalsContact N-OD2 3.11Å; T79-D82 WeakPolarHBondContact O-CA 3.41Å; T79-D82 WeakPolarHBondContact O-CB 3.39Å; T79-D82 PolarHBondContact O-N 2.86Å; T79-D82 PolarHBondContact OG1-OD2 2.87Å; S80-D82 PolarHBondContact O-N 2.79Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-A84 VanDerWaalsContact O-N 3.16Å; D82-Y86 WeakPolarHBondContact O-CE2 3.23Å; D82-Y86 PolarHBondContact O-OH 2.8Å; D82-V115 HydrophobicContact CB-CG2 4.36Å
83	S	97.6	Very high	95	Very high	35 Å²	35	38 Å²	38	25%	0.245	21%	0.211	C	C	.	.			trans	-66.4	114.5	169.8	-58.6	0	0	0	0	110.9	S80 E81 V113 V115	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.26Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 PolarHBondContact O-OG 3.08Å; S80-S83 VanDerWaalsContact O-OG 3.04Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-V113 VanDerWaalsContact CA-O 3.29Å; S83-V113 WeakPolarHBondContact CA-O 3.35Å; S83-V115 PolarHBondContact OG-N 2.61Å
84	A	97.9	Very high	93.6	Very high	5 Å²	5	41 Å²	41	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	172.2	-173.3	0	0	0	0	0	111.3	K30 Q31 R32 D82 Y86 V113	K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.52Å; Q31-A84 WeakPolarHBondContact O-CA 3.39Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; R32-A84 HydrophobicContact CG-CB 4.28Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-A84 VanDerWaalsContact O-N 3.16Å; A84-Y86 HydrophobicContact CB-CD2 4.29Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-V113 PolarHBondContact N-O 3.48Å; A84-V113 PolarHBondContact O-N 3.35Å
85	V	98.3	Very high	92.1	Very high	37 Å²	37	42 Å²	42	22%	0.224	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.7	159.4	-170.6	0	0	0	0	108.4	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.87Å; Q31-V85 PolarHBondContact O-N 3.13Å; V85-Y87 HydrophobicContact CB-CE2 3.85Å; V85-Y87 HydrophobicContact CG1-CD1 4.47Å; V85-Y87 HydrophobicContact CG1-CD2 4.29Å; V85-Y87 HydrophobicContact CG1-CE1 3.8Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.42Å
86	Y	98.3	Very high	90.9	Very high	3 Å²	3	45 Å²	45	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.1	178.4	-69.6	-92.8	0	0	0	109.9	M12 V29 K30 I40 M73 L75 D82 A84 G110 T111 V113	M12-Y86 HydrophobicContact CE-CD1 4.07Å; M12-Y86 HydrophobicContact CE-CD2 3.89Å; M12-Y86 HydrophobicContact CE-CG 3.59Å; M12-Y86 VanDerWaalsContact SD-CB 3.56Å; M12-Y86 HydrophobicContact SD-CD1 4.43Å; M12-Y86 HydrophobicContact SD-CG 4.09Å; V29-Y86 CarbonylContact O-C 3.52Å; V29-Y86 WeakPolarHBondContact O-CA 3.47Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.86Å; K30-Y86 HydrophobicContact CD-CE1 3.98Å; K30-Y86 WeakPolarHBondContact CE-OH 3.29Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.78Å; M73-Y86 HydrophobicContact CE-CD1 3.72Å; M73-Y86 HydrophobicContact CE-CE1 4.23Å; M73-Y86 HydrophobicContact CE-CG 4.45Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.44Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.44Å; L75-Y86 HydrophobicContact CD1-CE2 4.36Å; D82-Y86 WeakPolarHBondContact O-CE2 3.23Å; D82-Y86 PolarHBondContact O-OH 2.8Å; A84-Y86 HydrophobicContact CB-CD2 4.29Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; Y86-G110 CarbonylContact O-C 3.48Å; Y86-G110 WeakPolarHBondContact O-CA 3.3Å; Y86-T111 PolarHBondContact N-O 3.05Å; Y86-T111 PolarHBondContact O-N 3.49Å; Y86-V113 HydrophobicContact CD2-CB 4.02Å; Y86-V113 HydrophobicContact CD2-CG2 3.8Å; Y86-V113 HydrophobicContact CE2-CB 3.85Å; Y86-V113 HydrophobicContact CE2-CG2 4.05Å
87	Y	98.3	Very high	89.7	Confident	47 Å²	47	50.7 Å²	50.7	18%	0.184	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.5	-179.6	-55.7	-88.9	0	0	0	109.9	W28 V29 Q31 V85 W107	W28-Y87 WeakPolarHBondContact CA-O 3.25Å; V29-Y87 PolarHBondContact N-O 3.47Å; V29-Y87 PolarHBondContact O-N 2.93Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.79Å; Q31-Y87 PolarHBondContact OE1-OH 3.48Å; V85-Y87 HydrophobicContact CB-CE2 3.85Å; V85-Y87 HydrophobicContact CG1-CD1 4.47Å; V85-Y87 HydrophobicContact CG1-CD2 4.29Å; V85-Y87 HydrophobicContact CG1-CE1 3.8Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.42Å; Y87-W107 HydrophobicContact CG-CE3 4.38Å
88	C	97.6	Very high	88.6	Confident	14 Å²	14	53.7 Å²	53.7	10%	0.095	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	150.1	157.4	63.3	0	0	0	0	109.4	C14 I26 T27 W28 G108	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.87Å; I26-C88 HydrophobicContact CG2-CB 4.32Å; T27-C88 CarbonylContact O-C 3.6Å; T27-C88 WeakPolarHBondContact O-CA 3.26Å; W28-C88 HydrophobicContact CD2-CB 4.27Å; W28-C88 HydrophobicContact CE3-CB 4.04Å; W28-C88 HydrophobicContact CH2-CB 4.22Å; W28-C88 HydrophobicContact CZ2-CB 4.41Å; W28-C88 HydrophobicContact CZ3-CB 4.01Å; C88-G108 PolarHBondContact O-N 2.98Å
89	A	97.1	Very high	87.2	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.025	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.8	172.1	0	0	0	0	0	111.7	T27 F104 V106 W107	T27-A89 HydrophobicContact CG2-CB 3.65Å; T27-A89 PolarHBondContact N-O 2.8Å; T27-A89 PolarHBondContact O-N 2.88Å; A89-F104 HydrophobicContact CB-CB 4.1Å; A89-F104 HydrophobicContact CB-CD1 4.3Å; A89-F104 HydrophobicContact CB-CG 4.26Å; A89-V106 CarbonylContact C-O 3.57Å; A89-V106 WeakPolarHBondContact CA-O 3.4Å; A89-V106 WeakPolarHBondContact CB-O 3.34Å; A89-W107 HydrophobicContact CB-CD2 3.64Å; A89-W107 HydrophobicContact CB-CE3 3.74Å; A89-W107 HydrophobicContact CB-CG 4.08Å; A89-W107 HydrophobicContact CB-CH2 4.33Å; A89-W107 HydrophobicContact CB-CZ2 4.28Å; A89-W107 HydrophobicContact CB-CZ3 4.08Å
90	R	95.6	Very high	86	Confident	40 Å²	40	58.9 Å²	58.9	15%	0.151	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	128.8	170.2	-172.2	178.7	79.2	172.8	2.8	108.7	Y19 Y24 F104 D105 V106	Y19-R90 HydrophobicContact CE2-CG 4.25Å; Y24-R90 HydrophobicContact CD1-CG 3.63Å; Y24-R90 HydrophobicContact CE1-CG 4.49Å; Y24-R90 HydrophobicContact CG-CG 3.92Å; R90-F104 WeakPolarHBondContact O-CA 3.36Å; R90-D105 IonicContact CZ-OD1 3.45Å; R90-D105 IonicContact CZ-OD2 3.46Å; R90-D105 IonicContact NE-OD1 2.79Å; R90-D105 PolarHBondContact NE-OD1 3.13Å; R90-D105 IonicContact NE-OD2 3.48Å; R90-D105 PolarHBondContact NE-OD2 2.95Å; R90-D105 IonicContact NH2-OD1 3.34Å; R90-D105 PolarHBondContact NH2-OD1 3.38Å; R90-D105 IonicContact NH2-OD2 2.66Å; R90-D105 PolarHBondContact NH2-OD2 2.6Å; R90-D105 PolarHBondContact O-N 3.09Å; R90-V106 HydrophobicContact CB-CB 3.94Å; R90-V106 PolarHBondContact N-O 3.27Å
91	L	90.4	Very high	85.1	Confident	18 Å²	18	59.3 Å²	59.3	9%	0.094	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.5	173.9	171.8	62.9	0	0	0	109.2	W25 W102 Y103 F104	W25-L91 HydrophobicContact CB-CB 3.84Å; W25-L91 HydrophobicContact CB-CD2 4.03Å; W25-L91 HydrophobicContact CB-CG 4.2Å; W25-L91 HydrophobicContact CG-CD2 4.47Å; W25-L91 PolarHBondContact N-O 2.8Å; W25-L91 PolarHBondContact O-N 2.83Å; L91-W102 HydrophobicContact CD1-CB 4.03Å; L91-W102 HydrophobicContact CD1-CD2 4.5Å; L91-W102 HydrophobicContact CD1-CE3 3.73Å; L91-W102 HydrophobicContact CD2-CE3 3.85Å; L91-W102 HydrophobicContact CD2-CZ3 4.02Å; L91-W102 HydrophobicContact CG-CE3 3.71Å; L91-W102 HydrophobicContact CG-CZ3 4.08Å; L91-Y103 WeakPolarHBondContact CD1-O 3.5Å; L91-F104 HydrophobicContact CB-CD1 3.99Å; L91-F104 HydrophobicContact CB-CE1 3.92Å; L91-F104 HydrophobicContact CD1-CD1 3.91Å; L91-F104 HydrophobicContact CD1-CE1 3.67Å; L91-F104 HydrophobicContact CD2-CE1 4.42Å; L91-F104 HydrophobicContact CG-CE1 4.21Å
92	W	82.6	Confident	84.5	Confident	87 Å²	87	59 Å²	59	33%	0.33	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.7	175.7	-173.9	-110.9	0	0	0	110.5	Y24 Y103	Y24-W92 HydrophobicContact CD1-CD2 4.13Å; Y24-W92 AromaticContact CD1-CE3 3.15Å; Y24-W92 HydrophobicContact CD1-CE3 3.15Å; Y24-W92 AromaticContact CD1-CZ3 3.53Å; Y24-W92 HydrophobicContact CD1-CZ3 3.53Å; Y24-W92 AromaticContact CE1-CD2 3.72Å; Y24-W92 HydrophobicContact CE1-CD2 3.72Å; Y24-W92 AromaticContact CE1-CE3 2.88Å; Y24-W92 HydrophobicContact CE1-CE3 2.88Å; Y24-W92 AromaticContact CE1-CH2 3.87Å; Y24-W92 HydrophobicContact CE1-CH2 3.87Å; Y24-W92 AromaticContact CE1-CZ3 2.95Å; Y24-W92 HydrophobicContact CE1-CZ3 2.95Å; Y24-W92 HydrophobicContact CE2-CZ3 4.06Å; Y24-W92 HydrophobicContact CG-CE3 4.2Å; Y24-W92 HydrophobicContact CG-CZ3 4.29Å; Y24-W92 AromaticContact CZ-CE3 3.7Å; Y24-W92 AromaticContact CZ-CH2 3.86Å; Y24-W92 AromaticContact CZ-CZ3 3.21Å; Y24-W92 WeakPolarHBondContact OH-CZ3 3.46Å; W92-Y103 HydrophobicContact CB-CE2 4.39Å; W92-Y103 AromaticContact CD1-CZ 3.71Å; W92-Y103 VanDerWaalsContact CD1-OH 3.23Å; W92-Y103 PolarHBondContact N-O 3.11Å; W92-Y103 VanDerWaalsContact N-O 3.13Å; W92-Y103 PolarHBondContact O-N 3.36Å
93	A	75	Confident	84	Confident	31 Å²	31	63.1 Å²	63.1	26%	0.256	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117	170.2	0	0	0	0	0	108.8	D101 W102	A93-D101 WeakPolarHBondContact CA-O 3.48Å; A93-W102 HydrophobicContact CB-CD2 4.02Å; A93-W102 HydrophobicContact CB-CE3 3.65Å; A93-W102 HydrophobicContact CB-CH2 3.86Å; A93-W102 HydrophobicContact CB-CZ2 4.18Å; A93-W102 HydrophobicContact CB-CZ3 3.59Å
94	I	68.3	Low	83.7	Confident	65 Å²	65	65.1 Å²	65.1	33%	0.333	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.8	162.1	-66.6	-177	0	0	0	107.1	T96 K100 D101 Y103	I94-T96 HydrophobicContact CG2-CG2 3.78Å; I94-K100 WeakPolarHBondContact O-CA 3.2Å; I94-D101 PolarHBondContact N-O 2.99Å; I94-D101 PolarHBondContact O-N 3.18Å; I94-Y103 HydrophobicContact CB-CE1 4.48Å; I94-Y103 HydrophobicContact CD1-CE1 3.55Å; I94-Y103 VanDerWaalsContact CD1-OH 3.28Å; I94-Y103 WeakPolarHBondContact CD1-OH 2.95Å; I94-Y103 HydrophobicContact CG1-CE1 3.69Å
95	T	67.7	Low	83.2	Confident	104 Å²	104	67.7 Å²	67.7	64%	0.638	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.4	167.4	-52	0	0	0	0	107.8
96	T	71	Confident	83	Confident	68 Å²	68	69 Å²	69	42%	0.417	36%	0.36	S	S	.	.			trans	-98.7	174.4	168.4	66.7	0	0	0	0	109.7	I94 V98 A99	I94-T96 HydrophobicContact CG2-CG2 3.78Å; T96-V98 PolarHBondContact O-N 3.41Å; T96-V98 PolarHBondContact OG1-N 3.14Å; T96-A99 PolarHBondContact N-O 3.23Å; T96-A99 PolarHBondContact OG1-N 2.86Å; T96-A99 VanDerWaalsContact OG1-N 3.14Å; T96-A99 PolarHBondContact OG1-O 2.76Å
97	V	72.4	Confident	82.9	Confident	154 Å²	154	73.6 Å²	73.6	93%	0.933	38%	0.378	S	S	*	.	S	Bend	trans	-60.2	-17	177.8	-144.8	0	0	0	0	112.9
98	V	72.9	Confident	82.8	Confident	137 Å²	137	72.7 Å²	72.7	83%	0.83	38%	0.382	S	S	*	.	S	Bend	trans	-126.4	-13.6	-171.8	-67.8	0	0	0	0	114.6	T96	T96-V98 PolarHBondContact O-N 3.41Å; T96-V98 PolarHBondContact OG1-N 3.14Å
99	A	67.7	Low	82.7	Confident	41 Å²	41	79 Å²	79	34%	0.339	42%	0.421	S	S	.	.			trans	-155.5	155.6	-177.1	0	0	0	0	0	113.7	T96	T96-A99 PolarHBondContact N-O 3.23Å; T96-A99 PolarHBondContact OG1-N 2.86Å; T96-A99 VanDerWaalsContact OG1-N 3.14Å; T96-A99 PolarHBondContact OG1-O 2.76Å
100	K	71	Confident	82.6	Confident	123 Å²	123	80.2 Å²	80.2	54%	0.535	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	104	170.6	-171.9	179.2	-173.3	-180	0	108.9	I94 W102	I94-K100 WeakPolarHBondContact O-CA 3.2Å; K100-W102 HydrophobicContact CD-CZ2 4.35Å
101	D	77.7	Confident	82.7	Confident	97 Å²	97	80.3 Å²	80.3	52%	0.519	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.2	-180	-66	-40.3	0	0	0	110.8	A93 I94	A93-D101 WeakPolarHBondContact CA-O 3.48Å; I94-D101 PolarHBondContact N-O 2.99Å; I94-D101 PolarHBondContact O-N 3.18Å
102	W	80.6	Confident	83.1	Confident	122 Å²	122	82.4 Å²	82.4	46%	0.462	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.3	-179.8	-66.3	94.7	0	0	0	109	L91 A93 K100	L91-W102 HydrophobicContact CD1-CB 4.03Å; L91-W102 HydrophobicContact CD1-CD2 4.5Å; L91-W102 HydrophobicContact CD1-CE3 3.73Å; L91-W102 HydrophobicContact CD2-CE3 3.85Å; L91-W102 HydrophobicContact CD2-CZ3 4.02Å; L91-W102 HydrophobicContact CG-CE3 3.71Å; L91-W102 HydrophobicContact CG-CZ3 4.08Å; A93-W102 HydrophobicContact CB-CD2 4.02Å; A93-W102 HydrophobicContact CB-CE3 3.65Å; A93-W102 HydrophobicContact CB-CH2 3.86Å; A93-W102 HydrophobicContact CB-CZ2 4.18Å; A93-W102 HydrophobicContact CB-CZ3 3.59Å; K100-W102 HydrophobicContact CD-CZ2 4.35Å
103	Y	85.3	Confident	83.8	Confident	94 Å²	94	78.2 Å²	78.2	37%	0.369	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.6	176.4	61.1	-91.9	0	0	0	112.2	L91 W92 I94 D105	L91-Y103 WeakPolarHBondContact CD1-O 3.5Å; W92-Y103 HydrophobicContact CB-CE2 4.39Å; W92-Y103 AromaticContact CD1-CZ 3.71Å; W92-Y103 VanDerWaalsContact CD1-OH 3.23Å; W92-Y103 PolarHBondContact N-O 3.11Å; W92-Y103 VanDerWaalsContact N-O 3.13Å; W92-Y103 PolarHBondContact O-N 3.36Å; I94-Y103 HydrophobicContact CB-CE1 4.48Å; I94-Y103 HydrophobicContact CD1-CE1 3.55Å; I94-Y103 VanDerWaalsContact CD1-OH 3.28Å; I94-Y103 WeakPolarHBondContact CD1-OH 2.95Å; I94-Y103 HydrophobicContact CG1-CE1 3.69Å; Y103-D105 HydrophobicContact CD2-CB 3.9Å; Y103-D105 HydrophobicContact CE2-CB 3.69Å
104	F	91.3	Very high	84.9	Confident	77 Å²	77	79.5 Å²	79.5	34%	0.338	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.1	174.8	-54	-50.2	0	0	0	109.5	T27 A89 R90 L91 W107	T27-F104 HydrophobicContact CG2-CD1 3.66Å; T27-F104 HydrophobicContact CG2-CE1 3.3Å; T27-F104 HydrophobicContact CG2-CE2 4.46Å; T27-F104 HydrophobicContact CG2-CG 4.4Å; T27-F104 HydrophobicContact CG2-CZ 3.75Å; A89-F104 HydrophobicContact CB-CB 4.1Å; A89-F104 HydrophobicContact CB-CD1 4.3Å; A89-F104 HydrophobicContact CB-CG 4.26Å; R90-F104 WeakPolarHBondContact O-CA 3.36Å; L91-F104 HydrophobicContact CB-CD1 3.99Å; L91-F104 HydrophobicContact CB-CE1 3.92Å; L91-F104 HydrophobicContact CD1-CD1 3.91Å; L91-F104 HydrophobicContact CD1-CE1 3.67Å; L91-F104 HydrophobicContact CD2-CE1 4.42Å; L91-F104 HydrophobicContact CG-CE1 4.21Å; F104-W107 HydrophobicContact CB-CZ2 3.55Å; F104-W107 AromaticContact CD2-CH2 3.9Å; F104-W107 HydrophobicContact CD2-CH2 3.9Å; F104-W107 AromaticContact CD2-CZ2 3.48Å; F104-W107 HydrophobicContact CD2-CZ2 3.48Å; F104-W107 VanDerWaalsContact CD2-CZ2 3.48Å; F104-W107 HydrophobicContact CE2-CH2 4.48Å; F104-W107 HydrophobicContact CE2-CZ2 4.45Å; F104-W107 HydrophobicContact CG-CH2 4.42Å; F104-W107 AromaticContact CG-CZ2 3.81Å; F104-W107 HydrophobicContact CG-CZ2 3.81Å
105	D	88.6	Confident	86.2	Confident	59 Å²	59	76.7 Å²	76.7	32%	0.316	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-25.2	-176.3	50.1	11.7	0	0	0	114.8	R90 Y103	R90-D105 IonicContact CZ-OD1 3.45Å; R90-D105 IonicContact CZ-OD2 3.46Å; R90-D105 IonicContact NE-OD1 2.79Å; R90-D105 PolarHBondContact NE-OD1 3.13Å; R90-D105 IonicContact NE-OD2 3.48Å; R90-D105 PolarHBondContact NE-OD2 2.95Å; R90-D105 IonicContact NH2-OD1 3.34Å; R90-D105 PolarHBondContact NH2-OD1 3.38Å; R90-D105 IonicContact NH2-OD2 2.66Å; R90-D105 PolarHBondContact NH2-OD2 2.6Å; R90-D105 PolarHBondContact O-N 3.09Å; Y103-D105 HydrophobicContact CD2-CB 3.9Å; Y103-D105 HydrophobicContact CE2-CB 3.69Å
106	V	93	Very high	87.5	Confident	64 Å²	64	77.2 Å²	77.2	39%	0.388	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.6	176.7	-176.5	0	0	0	0	108.9	A89 R90	A89-V106 CarbonylContact C-O 3.57Å; A89-V106 WeakPolarHBondContact CA-O 3.4Å; A89-V106 WeakPolarHBondContact CB-O 3.34Å; R90-V106 HydrophobicContact CB-CB 3.94Å; R90-V106 PolarHBondContact N-O 3.27Å
107	W	96.2	Very high	88.3	Confident	101 Å²	101	77.7 Å²	77.7	38%	0.383	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.3	179.3	-70.1	78.1	0	0	0	110.8	V29 L37 Y87 A89 F104	V29-W107 HydrophobicContact CB-CZ3 4.19Å; V29-W107 HydrophobicContact CG1-CZ3 4.44Å; V29-W107 HydrophobicContact CG2-CH2 4.09Å; V29-W107 HydrophobicContact CG2-CZ3 4.04Å; L37-W107 HydrophobicContact CD1-CH2 3.74Å; L37-W107 HydrophobicContact CD1-CZ2 4.36Å; L37-W107 HydrophobicContact CD1-CZ3 4.34Å; Y87-W107 HydrophobicContact CG-CE3 4.38Å; A89-W107 HydrophobicContact CB-CD2 3.64Å; A89-W107 HydrophobicContact CB-CE3 3.74Å; A89-W107 HydrophobicContact CB-CG 4.08Å; A89-W107 HydrophobicContact CB-CH2 4.33Å; A89-W107 HydrophobicContact CB-CZ2 4.28Å; A89-W107 HydrophobicContact CB-CZ3 4.08Å; F104-W107 HydrophobicContact CB-CZ2 3.55Å; F104-W107 AromaticContact CD2-CH2 3.9Å; F104-W107 HydrophobicContact CD2-CH2 3.9Å; F104-W107 AromaticContact CD2-CZ2 3.48Å; F104-W107 HydrophobicContact CD2-CZ2 3.48Å; F104-W107 VanDerWaalsContact CD2-CZ2 3.48Å; F104-W107 HydrophobicContact CE2-CH2 4.48Å; F104-W107 HydrophobicContact CE2-CZ2 4.45Å; F104-W107 HydrophobicContact CG-CH2 4.42Å; F104-W107 AromaticContact CG-CZ2 3.81Å; F104-W107 HydrophobicContact CG-CZ2 3.81Å
108	G	96.1	Very high	89.2	Confident	27 Å²	27	73.6 Å²	73.6	28%	0.278	41%	0.409	S	S	.	.			trans	-69	158.7	164	0	0	0	0	0	110.9	C88 G110	C88-G108 PolarHBondContact O-N 2.98Å; G108-G110 PolarHBondContact O-N 3.06Å; G108-G110 VanDerWaalsContact O-N 3.1Å
109	T	95.5	Very high	90.1	Very high	147 Å²	147	70.1 Å²	70.1	90%	0.902	39%	0.386	S	S	*	.			trans	-65.8	-13.6	179.6	54.6	0	0	0	0	113.8
110	G	96.6	Very high	91.4	Very high	28 Å²	28	71.8 Å²	71.8	29%	0.289	39%	0.388	S	S	.	.			trans	84.5	155.7	-177.2	0	0	0	0	0	113.1	Y86 G108	Y86-G110 CarbonylContact O-C 3.48Å; Y86-G110 WeakPolarHBondContact O-CA 3.3Å; G108-G110 PolarHBondContact O-N 3.06Å; G108-G110 VanDerWaalsContact O-N 3.1Å
111	T	97	Very high	92.7	Very high	43 Å²	43	68.6 Å²	68.6	26%	0.264	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.2	171.4	-169.4	0	0	0	0	110.1	M12 Y86	M12-T111 HydrophobicContact CB-CG2 4.35Å; M12-T111 HydrophobicContact CE-CG2 4.15Å; M12-T111 HydrophobicContact SD-CG2 4.19Å; Y86-T111 PolarHBondContact N-O 3.05Å; Y86-T111 PolarHBondContact O-N 3.49Å
112	T	97.9	Very high	93.7	Very high	61 Å²	61	66.7 Å²	66.7	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.4	173.4	-49.1	0	0	0	0	109.6	A1 E2	A1-T112 CarbonylContact C-O 3.47Å; A1-T112 WeakPolarHBondContact CA-O 3.32Å; E2-T112 PolarHBondContact N-O 3.24Å
113	V	97.6	Very high	94.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.1	166.6	178.5	0	0	0	0	107.6	E2 V4 V10 M12 L78 S83 A84 Y86 V115	E2-V113 WeakPolarHBondContact O-CA 3.31Å; V4-V113 HydrophobicContact CG2-CG1 4.09Å; V10-V113 HydrophobicContact CG1-CG1 4.5Å; M12-V113 HydrophobicContact CE-CG2 3.94Å; L78-V113 HydrophobicContact CD1-CG1 4.47Å; S83-V113 VanDerWaalsContact CA-O 3.29Å; S83-V113 WeakPolarHBondContact CA-O 3.35Å; A84-V113 PolarHBondContact N-O 3.48Å; A84-V113 PolarHBondContact O-N 3.35Å; Y86-V113 HydrophobicContact CD2-CB 4.02Å; Y86-V113 HydrophobicContact CD2-CG2 3.8Å; Y86-V113 HydrophobicContact CE2-CB 3.85Å; Y86-V113 HydrophobicContact CE2-CG2 4.05Å; V113-V115 HydrophobicContact CG1-CG2 4.32Å
114	T	97.8	Very high	95.3	Very high	57 Å²	57	60.4 Å²	60.4	35%	0.35	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.8	177.2	-57.5	0	0	0	0	108.9	E2 L3 V4	E2-T114 PolarHBondContact O-N 3.4Å; L3-T114 WeakPolarHBondContact CA-O 3.5Å; L3-T114 HydrophobicContact CD1-CG2 3.74Å; V4-T114 PolarHBondContact N-O 3.4Å
115	V	97.3	Very high	95.6	Very high	7 Å²	7	59 Å²	59	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	108.9	-179.3	-168.6	0	0	0	0	108.8	V4 P6 L78 T79 D82 S83 V113	V4-V115 HydrophobicContact CG2-CB 4.37Å; V4-V115 HydrophobicContact CG2-CG1 4.43Å; V4-V115 HydrophobicContact CG2-CG2 3.81Å; V4-V115 WeakPolarHBondContact O-CA 3.43Å; P6-V115 HydrophobicContact CB-CG1 4.39Å; P6-V115 HydrophobicContact CG-CG1 4.14Å; L78-V115 HydrophobicContact CB-CG1 4.22Å; L78-V115 HydrophobicContact CB-CG2 4.01Å; L78-V115 HydrophobicContact CD1-CG2 4.32Å; T79-V115 WeakPolarHBondContact O-CB 3.38Å; T79-V115 WeakPolarHBondContact O-CG2 3.4Å; D82-V115 HydrophobicContact CB-CG2 4.36Å; S83-V115 PolarHBondContact OG-N 2.61Å; V113-V115 HydrophobicContact CG1-CG2 4.32Å
116	S	94.2	Very high	96.3	Very high	114 Å²	114	59 Å²	59	80%	0.797	37%	0.37	S	S	*	.			trans	-146.5	0	-177.9	67.6	0	0	0	0	112.7	L3 V4	L3-S116 WeakPolarHBondContact CD1-OG 3.38Å; V4-S116 PolarHBondContact O-N 2.99Å; V4-S116 VanDerWaalsContact O-N 3.16Å

Retrieved 116 of 116 residues in 45.4 ms (Link to these results)

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