X5J4Z6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Z6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 114 aa.

						>X5J4Z6_MOUSE|X5J4Z6
AELVKPGASVKLSCKASGYTFTEYTIHWVKQRSGQGLEWIGWFYPGSGSIKYNEKFKDKATLTADKSSSTVYMELSRLTSEDSAVYFCARHEDYGSSYWYFDVWGTGTTVTVSS
					

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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	83.6	Confident	94.8	Very high	106 Å²	106	77 Å²	77	88%	0.876	46%	0.462	S	S	*	.				0	138.2	0	0	0	0	0	0	107.1	T109	A1-T109 CarbonylContact C-O 3.58Å; A1-T109 WeakPolarHBondContact CA-O 3.27Å
2	E	91.1	Very high	94.9	Very high	89 Å²	89	71.1 Å²	71.1	42%	0.416	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.9	-172.8	-62.7	-62.4	146.7	0	0	109.4	V10 L12 T108 T109 V110 T111	E2-V10 HydrophobicContact CB-CG2 3.98Å; E2-V10 HydrophobicContact CG-CG2 3.78Å; E2-L12 HydrophobicContact CG-CD2 4.35Å; E2-T108 HydrophobicContact CG-CG2 4.45Å; E2-T109 PolarHBondContact N-O 3.26Å; E2-V110 HydrophobicContact CB-CG2 4.3Å; E2-V110 CarbonylContact O-C 3.53Å; E2-V110 WeakPolarHBondContact O-CA 3.33Å; E2-T111 PolarHBondContact O-N 3.35Å
3	L	94.9	Very high	94.9	Very high	126 Å²	126	71.2 Å²	71.2	66%	0.66	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.1	172.1	-178	66.1	0	0	0	108.4	T111 S113	L3-T111 WeakPolarHBondContact CA-O 3.14Å; L3-T111 HydrophobicContact CD1-CG2 3.78Å; L3-S113 WeakPolarHBondContact CD1-OG 3.39Å
4	V	95.9	Very high	94.7	Very high	21 Å²	21	66.6 Å²	66.6	13%	0.127	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.5	-172.5	-62.4	0	0	0	0	111.3	A8 L78 V110 T111 V112 S113	V4-A8 HydrophobicContact CB-CB 4.35Å; V4-L78 HydrophobicContact CG2-CD1 3.56Å; V4-V110 HydrophobicContact CG2-CG1 4.16Å; V4-T111 PolarHBondContact N-O 3.45Å; V4-V112 HydrophobicContact CG2-CB 4.41Å; V4-V112 HydrophobicContact CG2-CG1 4.48Å; V4-V112 HydrophobicContact CG2-CG2 3.85Å; V4-V112 VanDerWaalsContact O-CA 3.3Å; V4-V112 WeakPolarHBondContact O-CA 3.44Å; V4-S113 PolarHBondContact O-N 2.92Å
5	K	96.1	Very high	94.5	Very high	146 Å²	146	71.9 Å²	71.9	64%	0.635	42%	0.42	S	S	*	.			trans	-80.3	151.8	175.6	-69.1	-177.4	177.8	-177.1	0	110.9	G7 A8	K5-G7 PolarHBondContact O-N 3Å; K5-A8 WeakPolarHBondContact O-CB 3.28Å; K5-A8 PolarHBondContact O-N 3.3Å; K5-A8 VanDerWaalsContact O-N 3.14Å
6	P	97.1	Very high	94.2	Very high	74 Å²	74	68.1 Å²	68.1	48%	0.481	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	139.2	169.5	-24.9	33.6	0	0	0	111.8	A8 L78 V112	P6-A8 VanDerWaalsContact C-N 3.28Å; P6-A8 PolarHBondContact O-N 2.78Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.31Å; P6-V112 HydrophobicContact CB-CG1 4.38Å; P6-V112 HydrophobicContact CG-CG1 4.13Å
7	G	95.9	Very high	93.7	Very high	53 Å²	53	70.2 Å²	70.2	55%	0.546	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-14.5	-177	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3Å; G7-L78 PolarHBondContact N-O 2.95Å
8	A	96.6	Very high	93.2	Very high	36 Å²	36	71.2 Å²	71.2	30%	0.298	45%	0.446	S	S	.	.			trans	-70.1	168.1	176.3	0	0	0	0	0	112.4	V4 K5 P6 R77 L78	V4-A8 HydrophobicContact CB-CB 4.35Å; K5-A8 WeakPolarHBondContact O-CB 3.28Å; K5-A8 PolarHBondContact O-N 3.3Å; K5-A8 VanDerWaalsContact O-N 3.14Å; P6-A8 VanDerWaalsContact C-N 3.28Å; P6-A8 PolarHBondContact O-N 2.78Å; A8-R77 PolarHBondContact O-N 3.23Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 2.7Å
9	S	97.1	Very high	92.7	Very high	64 Å²	64	70.1 Å²	70.1	45%	0.448	43%	0.433	S	S	.	.			trans	-112.1	151.8	169.6	-58.4	0	0	0	0	110.2	L75 S76	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.38Å; S9-L75 WeakPolarHBondContact CB-O 3.46Å; S9-S76 WeakPolarHBondContact OG-CA 3.34Å
10	V	97.1	Very high	92.5	Very high	11 Å²	11	70.1 Å²	70.1	7%	0.067	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.8	173.6	73.9	0	0	0	0	110.1	E2 L12 E74 L75 L78 V110	E2-V10 HydrophobicContact CB-CG2 3.98Å; E2-V10 HydrophobicContact CG-CG2 3.78Å; V10-L12 HydrophobicContact CG1-CD2 4.33Å; V10-L12 HydrophobicContact CG1-CG 4.44Å; V10-L12 HydrophobicContact CG2-CD2 4.03Å; V10-E74 CarbonylContact O-C 3.58Å; V10-E74 WeakPolarHBondContact O-CA 3.49Å; V10-L75 HydrophobicContact CG1-CB 4.14Å; V10-L75 HydrophobicContact CG1-CD1 4.29Å; V10-L75 PolarHBondContact N-O 2.99Å; V10-L75 PolarHBondContact O-N 3.12Å; V10-L78 HydrophobicContact CB-CD1 4.03Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-V110 HydrophobicContact CG1-CG1 4.35Å; V10-V110 HydrophobicContact CG1-CG2 4.37Å
11	K	97.3	Very high	92.4	Very high	121 Å²	121	67 Å²	67	53%	0.526	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	112.9	174.7	-173.8	174.5	-179.2	175.4	0	109.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.38Å
12	L	96.3	Very high	92.7	Very high	6 Å²	6	64.5 Å²	64.5	3%	0.031	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	148.2	175.1	-53.9	-173.8	0	0	0	109.7	E2 V10 W28 Y72 M73 Y86 T108 V110	E2-L12 HydrophobicContact CG-CD2 4.35Å; V10-L12 HydrophobicContact CG1-CD2 4.33Å; V10-L12 HydrophobicContact CG1-CG 4.44Å; V10-L12 HydrophobicContact CG2-CD2 4.03Å; L12-W28 HydrophobicContact CB-CH2 3.9Å; L12-W28 HydrophobicContact CB-CZ3 4.07Å; L12-W28 HydrophobicContact CD1-CZ3 4.44Å; L12-Y72 CarbonylContact O-C 3.53Å; L12-Y72 WeakPolarHBondContact O-CA 3.28Å; L12-M73 HydrophobicContact CD1-CE 3.68Å; L12-M73 HydrophobicContact CG-CE 4.44Å; L12-M73 PolarHBondContact N-O 3.07Å; L12-M73 PolarHBondContact O-N 2.85Å; L12-Y86 VanDerWaalsContact CD1-CB 3.48Å; L12-Y86 HydrophobicContact CD1-CD1 4.35Å; L12-Y86 HydrophobicContact CD1-CD2 4.05Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; L12-T108 HydrophobicContact CD2-CG2 3.91Å; L12-V110 HydrophobicContact CD1-CG2 4.13Å; L12-V110 HydrophobicContact CD2-CG2 3.94Å
13	S	94.8	Very high	92.6	Very high	72 Å²	72	65.9 Å²	65.9	50%	0.503	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.5	177.7	67.3	0	0	0	0	110.8	V71 Y72	S13-V71 CarbonylContact C-O 3.51Å; S13-V71 WeakPolarHBondContact CA-O 3.37Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å
14	C	92.4	Very high	92.3	Very high	7 Å²	7	61.9 Å²	61.9	5%	0.047	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	111.7	175.7	176.1	0	0	0	0	109.5	W28 T70 V71 C88	C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.9Å; C14-T70 CarbonylContact O-C 3.38Å; C14-T70 WeakPolarHBondContact O-CA 3.35Å; C14-V71 HydrophobicContact CB-CG2 3.73Å; C14-V71 PolarHBondContact N-O 3.22Å; C14-V71 PolarHBondContact O-N 2.85Å; C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.3Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 3.13Å
15	K	92	Very high	92	Very high	146 Å²	146	61.6 Å²	61.6	64%	0.635	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	133.2	-174.5	-175.4	174.7	-177.8	-179.3	0	111.1	T70	K15-T70 HydrophobicContact CB-CG2 4.5Å
16	A	88.4	Confident	91.8	Very high	12 Å²	12	54.7 Å²	54.7	10%	0.099	34%	0.338	C	S	.	.			trans	-77.1	133.7	-179.4	0	0	0	0	0	113	Y19 F21 S69 W104	A16-Y19 WeakPolarHBondContact CA-OH 3.35Å; A16-Y19 HydrophobicContact CB-CE2 3.78Å; A16-Y19 WeakPolarHBondContact CB-OH 3.49Å; A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.18Å; A16-F21 HydrophobicContact CB-CG 4.05Å; A16-S69 WeakPolarHBondContact CB-O 3.47Å; A16-S69 PolarHBondContact N-O 3.05Å; A16-W104 HydrophobicContact CB-CE3 4.13Å; A16-W104 HydrophobicContact CB-CH2 3.6Å; A16-W104 HydrophobicContact CB-CZ3 3.37Å
17	S	86.5	Confident	91.7	Very high	104 Å²	104	51.8 Å²	51.8	73%	0.727	32%	0.318	S	S	*	.			trans	-110.9	104.5	-178.3	109.1	0	0	0	0	117.9	Y19	S17-Y19 PolarHBondContact N-OH 2.73Å; S17-Y19 VanDerWaalsContact N-OH 3.13Å; S17-Y19 WeakPolarHBondContact O-CD1 3.41Å; S17-Y19 WeakPolarHBondContact O-CE1 3.46Å; S17-Y19 PolarHBondContact O-N 2.88Å
18	G	85.3	Confident	91.7	Very high	88 Å²	88	49.5 Å²	49.5	91%	0.907	29%	0.293	S	S	*	.	S	Bend	trans	76.3	24.2	162	0	0	0	0	0	117.4
19	Y	82.8	Confident	91.6	Very high	50 Å²	50	48.6 Å²	48.6	20%	0.196	28%	0.284	C	S	.	.	S	Bend	trans	-151.4	169.8	167.9	49.9	-93.9	0	0	0	110.5	A16 S17 F21 Y24 R90 W104	A16-Y19 WeakPolarHBondContact CA-OH 3.35Å; A16-Y19 HydrophobicContact CB-CE2 3.78Å; A16-Y19 WeakPolarHBondContact CB-OH 3.49Å; S17-Y19 PolarHBondContact N-OH 2.73Å; S17-Y19 VanDerWaalsContact N-OH 3.13Å; S17-Y19 WeakPolarHBondContact O-CD1 3.41Å; S17-Y19 WeakPolarHBondContact O-CE1 3.46Å; S17-Y19 PolarHBondContact O-N 2.88Å; Y19-F21 PolarHBondContact O-N 3.44Å; Y19-Y24 AromaticContact CD2-CD2 3.61Å; Y19-Y24 HydrophobicContact CD2-CD2 3.61Å; Y19-Y24 AromaticContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CG 4.42Å; Y19-Y24 HydrophobicContact CE2-CD2 4.4Å; Y19-Y24 HydrophobicContact CG-CD2 4.25Å; Y19-Y24 HydrophobicContact CG-CE2 4.12Å; Y19-R90 VanDerWaalsContact CG-NH1 3.33Å; Y19-W104 HydrophobicContact CE1-CZ2 4.13Å; Y19-W104 AromaticContact CE1-NE1 3.95Å; Y19-W104 AromaticContact CE2-CH2 3.63Å; Y19-W104 HydrophobicContact CE2-CH2 3.63Å; Y19-W104 AromaticContact CE2-CZ2 3.37Å; Y19-W104 HydrophobicContact CE2-CZ2 3.37Å; Y19-W104 AromaticContact CZ-CE2 3.4Å; Y19-W104 VanDerWaalsContact CZ-CE2 3.4Å; Y19-W104 AromaticContact CZ-CH2 3.58Å; Y19-W104 AromaticContact CZ-CZ2 3.11Å; Y19-W104 AromaticContact CZ-NE1 3.75Å; Y19-W104 VanDerWaalsContact OH-CE3 3.24Å; Y19-W104 WeakPolarHBondContact OH-CH2 3.38Å; Y19-W104 WeakPolarHBondContact OH-CZ2 3.35Å; Y19-W104 WeakPolarHBondContact OH-CZ3 3.26Å; Y19-W104 PolarHBondContact OH-NE1 3.33Å
20	T	89.3	Confident	91.4	Very high	70 Å²	70	45.6 Å²	45.6	43%	0.429	26%	0.263	S	S	.	.			trans	-69.6	95	175.3	-48.8	0	0	0	0	110.5	T22 E23 Y24	T20-T22 PolarHBondContact O-N 3.33Å; T20-E23 WeakPolarHBondContact CB-OE2 3.36Å; T20-E23 HydrophobicContact CG2-CB 4.43Å; T20-E23 HydrophobicContact CG2-CG 3.71Å; T20-E23 PolarHBondContact O-N 2.89Å; T20-Y24 VanDerWaalsContact O-CD2 3.29Å; T20-Y24 WeakPolarHBondContact O-CD2 3.45Å
21	F	89.4	Confident	91.3	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.026	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-47.6	-36.1	-176	174.4	-118.5	0	0	0	115.1	A16 Y19 E23 I26 P45 A64 V71 W104	A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.18Å; A16-F21 HydrophobicContact CB-CG 4.05Å; Y19-F21 PolarHBondContact O-N 3.44Å; F21-E23 VanDerWaalsContact C-N 3.27Å; F21-E23 PolarHBondContact O-N 2.94Å; F21-I26 HydrophobicContact CE2-CG1 4.13Å; F21-P45 HydrophobicContact CD1-CB 3.94Å; F21-P45 HydrophobicContact CD1-CG 4.14Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CG 3.77Å; F21-P45 HydrophobicContact CG-CG 4.44Å; F21-P45 HydrophobicContact CZ-CB 3.91Å; F21-P45 HydrophobicContact CZ-CG 3.46Å; F21-P45 VanDerWaalsContact CZ-CG 3.46Å; F21-A64 HydrophobicContact CE1-CB 4.28Å; F21-A64 HydrophobicContact CZ-CB 4.15Å; F21-V71 HydrophobicContact CE2-CG1 3.74Å; F21-V71 HydrophobicContact CZ-CG1 3.51Å; F21-W104 AromaticContact CD2-CH2 3.8Å; F21-W104 HydrophobicContact CD2-CH2 3.8Å; F21-W104 HydrophobicContact CD2-CZ3 4.21Å; F21-W104 AromaticContact CE2-CH2 3.92Å; F21-W104 HydrophobicContact CE2-CH2 3.92Å; F21-W104 HydrophobicContact CE2-CZ3 4.08Å
22	T	91.1	Very high	91.1	Very high	52 Å²	52	45.7 Å²	45.7	32%	0.319	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-76.9	-8.6	-177	50.6	0	0	0	0	114.8	T20 Y44 P45 G46 K66	T20-T22 PolarHBondContact O-N 3.33Å; T22-Y44 WeakPolarHBondContact O-CE2 3.33Å; T22-Y44 PolarHBondContact O-OH 2.56Å; T22-P45 HydrophobicContact CG2-CB 4.47Å; T22-G46 WeakPolarHBondContact O-CA 3.38Å; T22-G46 PolarHBondContact O-N 2.86Å; T22-K66 HydrophobicContact CG2-CD 4.24Å
23	E	89	Confident	90.8	Very high	118 Å²	118	51.4 Å²	51.4	55%	0.551	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-95.4	-2.7	-179.1	-68.4	176.1	179.3	0	0	113.2	T20 F21	T20-E23 WeakPolarHBondContact CB-OE2 3.36Å; T20-E23 HydrophobicContact CG2-CB 4.43Å; T20-E23 HydrophobicContact CG2-CG 3.71Å; T20-E23 PolarHBondContact O-N 2.89Å; F21-E23 VanDerWaalsContact C-N 3.27Å; F21-E23 PolarHBondContact O-N 2.94Å
24	Y	87.7	Confident	90.5	Very high	42 Å²	42	52.3 Å²	52.3	17%	0.165	32%	0.323	C	S	.	.	S	Bend	trans	-125.5	145.5	-173.8	-63.6	-87.6	0	0	0	113.8	Y19 T20 Y44 P45 R90 H91 E92	Y19-Y24 AromaticContact CD2-CD2 3.61Å; Y19-Y24 HydrophobicContact CD2-CD2 3.61Å; Y19-Y24 AromaticContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CG 4.42Å; Y19-Y24 HydrophobicContact CE2-CD2 4.4Å; Y19-Y24 HydrophobicContact CG-CD2 4.25Å; Y19-Y24 HydrophobicContact CG-CE2 4.12Å; T20-Y24 VanDerWaalsContact O-CD2 3.29Å; T20-Y24 WeakPolarHBondContact O-CD2 3.45Å; Y24-Y44 WeakPolarHBondContact O-CD2 3.43Å; Y24-P45 WeakPolarHBondContact O-CD 3.39Å; Y24-R90 HydrophobicContact CD1-CG 3.69Å; Y24-R90 HydrophobicContact CG-CG 3.86Å; Y24-H91 WeakPolarHBondContact CD1-O 3.37Å; Y24-E92 HydrophobicContact CD1-CB 4.32Å; Y24-E92 HydrophobicContact CD1-CG 3.9Å; Y24-E92 HydrophobicContact CE1-CB 3.99Å; Y24-E92 HydrophobicContact CE1-CG 3.55Å
25	T	90.7	Very high	90.4	Very high	15 Å²	15	56.7 Å²	56.7	9%	0.092	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.2	173.8	-62.4	0	0	0	0	110	H27 W42 H91	T25-H27 WeakPolarHBondContact CG2-NE2 3.47Å; T25-W42 HydrophobicContact CG2-CB 3.67Å; T25-W42 HydrophobicContact CG2-CD2 3.65Å; T25-W42 HydrophobicContact CG2-CE3 3.57Å; T25-W42 HydrophobicContact CG2-CG 3.7Å; T25-W42 HydrophobicContact CG2-CZ3 4.39Å; T25-H91 PolarHBondContact O-N 2.97Å
26	I	92	Very high	90.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.1	-175.7	-42.4	-48.2	0	0	0	109.6	F21 W42 F43 P45 V71 C88 R90 W104	F21-I26 HydrophobicContact CE2-CG1 4.13Å; I26-W42 CarbonylContact O-C 3.57Å; I26-W42 WeakPolarHBondContact O-CA 3.25Å; I26-W42 WeakPolarHBondContact O-CB 3.16Å; I26-F43 PolarHBondContact N-O 3.46Å; I26-F43 PolarHBondContact O-N 3.49Å; I26-P45 HydrophobicContact CG1-CG 4.25Å; I26-V71 HydrophobicContact CB-CG1 4Å; I26-V71 HydrophobicContact CB-CG2 4.29Å; I26-V71 HydrophobicContact CG1-CG1 3.93Å; I26-V71 HydrophobicContact CG2-CG1 4.24Å; I26-V71 HydrophobicContact CG2-CG2 3.63Å; I26-C88 HydrophobicContact CG2-CB 4.43Å; I26-R90 HydrophobicContact CD1-CB 4.4Å; I26-W104 HydrophobicContact CD1-CH2 3.17Å; I26-W104 HydrophobicContact CD1-CZ2 3.17Å; I26-W104 HydrophobicContact CD1-CZ3 4.27Å; I26-W104 HydrophobicContact CG1-CH2 3.73Å; I26-W104 HydrophobicContact CG1-CZ2 4.18Å; I26-W104 HydrophobicContact CG1-CZ3 4.48Å; I26-W104 HydrophobicContact CG2-CH2 4.24Å; I26-W104 HydrophobicContact CG2-CZ3 4.4Å
27	H	93.8	Very high	90.4	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.065	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	143.8	-177.4	-69.3	-116.3	0	0	0	110.6	T25 W39 G41 W42 C88 A89 F101	T25-H27 WeakPolarHBondContact CG2-NE2 3.47Å; H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-CD1 3.75Å; H27-W39 AromaticContact ND1-NE1 3.12Å; H27-W39 PolarHBondContact ND1-NE1 2.96Å; H27-W39 VanDerWaalsContact ND1-NE1 3.12Å; H27-G41 WeakPolarHBondContact CA-O 3.03Å; H27-W42 AromaticContact CE1-CD1 3.72Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.29Å; H27-A89 PolarHBondContact N-O 2.89Å; H27-A89 PolarHBondContact O-N 2.78Å; H27-F101 HydrophobicContact CB-CD1 4.46Å; H27-F101 HydrophobicContact CB-CE1 3.95Å; H27-F101 AromaticContact CD2-CE1 3.54Å; H27-F101 AromaticContact CE1-CE1 3.77Å; H27-F101 AromaticContact CE1-CZ 3.92Å; H27-F101 AromaticContact CG-CE1 3.43Å; H27-F101 VanDerWaalsContact CG-CE1 3.43Å; H27-F101 AromaticContact ND1-CE1 3.58Å; H27-F101 AromaticContact ND1-CZ 3.76Å; H27-F101 AromaticContact NE2-CE1 3.77Å
28	W	95.3	Very high	90.8	Very high	4 Å²	4	54 Å²	54	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.5	168.1	-75.4	95.4	0	0	0	110.1	L12 C14 I40 G41 L62 V71 M73 F87 C88	L12-W28 HydrophobicContact CB-CH2 3.9Å; L12-W28 HydrophobicContact CB-CZ3 4.07Å; L12-W28 HydrophobicContact CD1-CZ3 4.44Å; C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.9Å; W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.02Å; W28-I40 PolarHBondContact O-N 2.67Å; W28-G41 PolarHBondContact N-O 2.9Å; W28-L62 HydrophobicContact CG-CD2 4.18Å; W28-V71 HydrophobicContact CZ2-CG2 3.91Å; W28-M73 HydrophobicContact CB-SD 4.02Å; W28-M73 HydrophobicContact CD2-CB 3.77Å; W28-M73 HydrophobicContact CD2-CE 4.25Å; W28-M73 HydrophobicContact CD2-SD 4.13Å; W28-M73 HydrophobicContact CE3-CB 4.18Å; W28-M73 HydrophobicContact CE3-CE 3.79Å; W28-M73 HydrophobicContact CE3-SD 4.25Å; W28-M73 HydrophobicContact CG-CB 4.19Å; W28-M73 HydrophobicContact CG-SD 4.05Å; W28-M73 HydrophobicContact CH2-CB 4.27Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.42Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; W28-F87 WeakPolarHBondContact CA-O 3.36Å; W28-C88 HydrophobicContact CD2-CB 4.37Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.32Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.22Å
29	V	94.6	Very high	91.2	Very high	17 Å²	17	53.4 Å²	53.4	10%	0.103	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.8	-175.8	-173.7	0	0	0	0	109.1	L37 E38 Y86 F87	V29-L37 HydrophobicContact CG1-CB 3.66Å; V29-L37 HydrophobicContact CG1-CD1 4.45Å; V29-L37 HydrophobicContact CG1-CD2 3.86Å; V29-L37 HydrophobicContact CG1-CG 4.18Å; V29-E38 CarbonylContact C-O 3.42Å; V29-E38 WeakPolarHBondContact CA-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.34Å; V29-Y86 WeakPolarHBondContact O-CA 3.05Å; V29-F87 PolarHBondContact N-O 3.47Å; V29-F87 PolarHBondContact O-N 2.92Å
30	K	94.6	Very high	91.9	Very high	1 Å²	1	51 Å²	51	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.5	175.8	-179.9	-174.9	176.1	-171.6	0	109.9	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.42Å; K30-E38 PolarHBondContact N-O 2.82Å; K30-E38 PolarHBondContact O-N 3.02Å; K30-I40 HydrophobicContact CB-CD1 4.09Å; K30-I40 HydrophobicContact CB-CG1 4.32Å; K30-F56 HydrophobicContact CD-CE1 4.37Å; K30-F56 HydrophobicContact CD-CZ 4.4Å; K30-E81 PolarHBondContact NZ-O 2.96Å; K30-D82 IonicContact NZ-OD1 3.64Å; K30-A84 HydrophobicContact CD-CB 3.92Å; K30-A84 HydrophobicContact CG-CB 3.34Å; K30-Y86 HydrophobicContact CB-CD1 3.94Å; K30-Y86 HydrophobicContact CB-CE1 3.77Å; K30-Y86 HydrophobicContact CD-CE1 3.75Å; K30-Y86 WeakPolarHBondContact CD-OH 2.7Å; K30-Y86 WeakPolarHBondContact CE-OH 3.18Å; K30-Y86 HydrophobicContact CG-CD1 4.1Å; K30-Y86 HydrophobicContact CG-CE1 3.62Å; K30-Y86 HydrophobicContact CG-CE2 4.45Å
31	Q	94.5	Very high	92.2	Very high	78 Å²	78	47.7 Å²	47.7	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.7	171.8	-165.2	179	21.8	0	0	110.3	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.4Å; Q31-V85 PolarHBondContact N-O 2.89Å; Q31-V85 PolarHBondContact O-N 2.83Å; Q31-F87 HydrophobicContact CB-CD2 4.4Å; Q31-F87 HydrophobicContact CB-CE2 3.78Å
32	R	93.8	Very high	92.5	Very high	56 Å²	56	50.4 Å²	50.4	21%	0.211	29%	0.287	C	S	.	.			trans	-86.9	151.4	169.8	-59.9	-175.3	-136	-166	-3.3	109.8	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.04Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.09Å; R32-Q35 VanDerWaalsContact CD-OE1 3.26Å; R32-Q35 PolarHBondContact O-N 3.36Å; R32-E38 IonicContact CZ-OE1 2.71Å; R32-E38 VanDerWaalsContact CZ-OE1 3.26Å; R32-E38 IonicContact NE-OE1 3Å; R32-E38 PolarHBondContact NE-OE1 2.84Å; R32-E38 IonicContact NH2-OE1 3.45Å; R32-E38 PolarHBondContact NH2-OE1 2.8Å; R32-E38 IonicContact NH2-OE2 3.49Å; R32-E81 PolarHBondContact NH1-O 2.79Å; R32-A84 HydrophobicContact CG-CB 4.12Å
33	S	88.1	Confident	92.6	Very high	127 Å²	127	49 Å²	49	89%	0.888	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	127.2	175.2	-170.2	0	0	0	0	110.3	Q35	S33-Q35 PolarHBondContact O-N 2.81Å
34	G	88.8	Confident	92.9	Very high	90 Å²	90	46.8 Å²	46.8	93%	0.928	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	6.6	-178	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 3.04Å
35	Q	90.8	Very high	93.1	Very high	99 Å²	99	44.8 Å²	44.8	46%	0.463	26%	0.256	S	S	.	.	S	Bend	trans	-117.5	161.4	177.2	-58.9	-172	-8	0	0	111.9	R32 S33	R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.09Å; R32-Q35 VanDerWaalsContact CD-OE1 3.26Å; R32-Q35 PolarHBondContact O-N 3.36Å; S33-Q35 PolarHBondContact O-N 2.81Å
36	G	89.7	Confident	93.2	Very high	55 Å²	55	45.6 Å²	45.6	57%	0.567	27%	0.268	S	S	*	.			trans	-68.7	175.7	172.9	0	0	0	0	0	113.1
37	L	91.6	Very high	93.2	Very high	117 Å²	117	49 Å²	49	61%	0.613	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.3	173.8	-67.3	178.7	0	0	0	110.8	V29 Q31	V29-L37 HydrophobicContact CG1-CB 3.66Å; V29-L37 HydrophobicContact CG1-CD1 4.45Å; V29-L37 HydrophobicContact CG1-CD2 3.86Å; V29-L37 HydrophobicContact CG1-CG 4.18Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å
38	E	94.4	Very high	93.2	Very high	35 Å²	35	50 Å²	50	16%	0.164	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.7	173.2	-63.7	-169.9	-96.9	0	0	109.7	V29 K30 R32 I40	V29-E38 CarbonylContact C-O 3.42Å; V29-E38 WeakPolarHBondContact CA-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.34Å; K30-E38 HydrophobicContact CB-CB 4.42Å; K30-E38 PolarHBondContact N-O 2.82Å; K30-E38 PolarHBondContact O-N 3.02Å; R32-E38 IonicContact CZ-OE1 2.71Å; R32-E38 VanDerWaalsContact CZ-OE1 3.26Å; R32-E38 IonicContact NE-OE1 3Å; R32-E38 PolarHBondContact NE-OE1 2.84Å; R32-E38 IonicContact NH2-OE1 3.45Å; R32-E38 PolarHBondContact NH2-OE1 2.8Å; R32-E38 IonicContact NH2-OE2 3.49Å; E38-I40 PolarHBondContact O-N 3.12Å
39	W	94.4	Very high	93.2	Very high	75 Å²	75	52.5 Å²	52.5	28%	0.284	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.8	176.1	178.7	70	0	0	0	111.1	H27 G41 W42 K51 N53	H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-CD1 3.75Å; H27-W39 AromaticContact ND1-NE1 3.12Å; H27-W39 PolarHBondContact ND1-NE1 2.96Å; H27-W39 VanDerWaalsContact ND1-NE1 3.12Å; W39-G41 PolarHBondContact NE1-O 3.11Å; W39-W42 HydrophobicContact CZ2-CB 4.3Å; W39-W42 AromaticContact CZ2-CD1 3.39Å; W39-W42 HydrophobicContact CZ2-CG 4.09Å; W39-K51 HydrophobicContact CH2-CB 4.38Å; W39-K51 HydrophobicContact CH2-CD 4.2Å; W39-K51 HydrophobicContact CH2-CG 4.07Å; W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.8Å; W39-N53 VanDerWaalsContact O-CB 3.28Å; W39-N53 WeakPolarHBondContact O-CB 3.16Å; W39-N53 PolarHBondContact O-ND2 3.12Å
40	I	96.6	Very high	93.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-46.8	-178	-62.4	176.7	0	0	0	110.9	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.02Å; W28-I40 PolarHBondContact O-N 2.67Å; K30-I40 HydrophobicContact CB-CD1 4.09Å; K30-I40 HydrophobicContact CB-CG1 4.32Å; E38-I40 PolarHBondContact O-N 3.12Å; I40-N53 WeakPolarHBondContact O-CB 3.43Å; I40-N53 PolarHBondContact O-N 3.18Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.13Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.13Å; I40-F56 HydrophobicContact CG2-CB 3.79Å; I40-F56 HydrophobicContact CG2-CD1 4.22Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; I40-A60 HydrophobicContact CG2-CB 3.84Å; I40-M73 HydrophobicContact CD1-CE 3.91Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 3.93Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å
41	G	95.7	Very high	93.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	173.7	-168.3	0	0	0	0	0	111.8	H27 W28 W39 K51	H27-G41 WeakPolarHBondContact CA-O 3.03Å; W28-G41 PolarHBondContact N-O 2.9Å; W39-G41 PolarHBondContact NE1-O 3.11Å; G41-K51 CarbonylContact C-O 3.49Å; G41-K51 WeakPolarHBondContact CA-O 3.07Å
42	W	94.6	Very high	93.5	Very high	62 Å²	62	59.2 Å²	59.2	24%	0.235	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.9	169.9	63.6	-114.7	0	0	0	111.1	T25 I26 H27 W39 S49 I50 K51	T25-W42 HydrophobicContact CG2-CB 3.67Å; T25-W42 HydrophobicContact CG2-CD2 3.65Å; T25-W42 HydrophobicContact CG2-CE3 3.57Å; T25-W42 HydrophobicContact CG2-CG 3.7Å; T25-W42 HydrophobicContact CG2-CZ3 4.39Å; I26-W42 CarbonylContact O-C 3.57Å; I26-W42 WeakPolarHBondContact O-CA 3.25Å; I26-W42 WeakPolarHBondContact O-CB 3.16Å; H27-W42 AromaticContact CE1-CD1 3.72Å; W39-W42 HydrophobicContact CZ2-CB 4.3Å; W39-W42 AromaticContact CZ2-CD1 3.39Å; W39-W42 HydrophobicContact CZ2-CG 4.09Å; W42-S49 VanDerWaalsContact CZ3-O 3.31Å; W42-S49 WeakPolarHBondContact CZ3-O 3.37Å; W42-I50 WeakPolarHBondContact O-CA 3.43Å; W42-I50 WeakPolarHBondContact O-CG1 3.48Å; W42-K51 HydrophobicContact CD2-CB 3.98Å; W42-K51 VanDerWaalsContact CE2-CB 3.4Å; W42-K51 HydrophobicContact CG-CB 4.31Å; W42-K51 HydrophobicContact CZ2-CB 3.69Å; W42-K51 HydrophobicContact CZ2-CD 4.38Å; W42-K51 PolarHBondContact N-O 3.17Å; W42-K51 PolarHBondContact O-N 2.84Å
43	F	94.6	Very high	93.6	Very high	24 Å²	24	58.8 Å²	58.8	11%	0.105	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.9	174.1	-171	-88.2	0	0	0	109.3	I26 P45 I50 L62 A64	I26-F43 PolarHBondContact N-O 3.46Å; I26-F43 PolarHBondContact O-N 3.49Å; F43-P45 HydrophobicContact CD1-CG 4.16Å; F43-P45 HydrophobicContact CE1-CB 4.33Å; F43-P45 HydrophobicContact CE1-CG 4.48Å; F43-P45 WeakPolarHBondContact O-CD 3.19Å; F43-I50 HydrophobicContact CD2-CB 4.09Å; F43-I50 HydrophobicContact CD2-CD1 4.04Å; F43-I50 HydrophobicContact CD2-CG1 4.14Å; F43-L62 HydrophobicContact CB-CB 4.27Å; F43-L62 HydrophobicContact CB-CD1 4.48Å; F43-L62 HydrophobicContact CD2-CB 4.34Å; F43-A64 HydrophobicContact CD1-CB 3.78Å; F43-A64 HydrophobicContact CE1-CB 3.34Å; F43-A64 HydrophobicContact CZ-CB 4.09Å
44	Y	93.8	Very high	93.9	Very high	71 Å²	71	59.2 Å²	59.2	28%	0.278	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	106.5	175.3	179.1	-124.2	0	0	0	109.7	T22 Y24 G46 S47 G48 S49	T22-Y44 WeakPolarHBondContact O-CE2 3.33Å; T22-Y44 PolarHBondContact O-OH 2.56Å; Y24-Y44 WeakPolarHBondContact O-CD2 3.43Å; Y44-G46 PolarHBondContact O-N 3.41Å; Y44-S47 VanDerWaalsContact CD1-OG 3.25Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.5Å; Y44-G48 VanDerWaalsContact O-CA 3.29Å; Y44-G48 WeakPolarHBondContact O-CA 3.2Å; Y44-G48 PolarHBondContact O-N 2.75Å; Y44-S49 PolarHBondContact N-O 2.9Å
45	P	92.6	Very high	94.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.7	-173.4	-16.9	30.7	0	0	0	114.4	F21 T22 Y24 I26 F43 A64 K66 V71	F21-P45 HydrophobicContact CD1-CB 3.94Å; F21-P45 HydrophobicContact CD1-CG 4.14Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CG 3.77Å; F21-P45 HydrophobicContact CG-CG 4.44Å; F21-P45 HydrophobicContact CZ-CB 3.91Å; F21-P45 HydrophobicContact CZ-CG 3.46Å; F21-P45 VanDerWaalsContact CZ-CG 3.46Å; T22-P45 HydrophobicContact CG2-CB 4.47Å; Y24-P45 WeakPolarHBondContact O-CD 3.39Å; I26-P45 HydrophobicContact CG1-CG 4.25Å; F43-P45 HydrophobicContact CD1-CG 4.16Å; F43-P45 HydrophobicContact CE1-CB 4.33Å; F43-P45 HydrophobicContact CE1-CG 4.48Å; F43-P45 WeakPolarHBondContact O-CD 3.19Å; P45-A64 HydrophobicContact CB-CB 4.49Å; P45-K66 WeakPolarHBondContact O-CE 3.45Å; P45-K66 PolarHBondContact O-NZ 3.14Å; P45-V71 HydrophobicContact CG-CG1 4.45Å
46	G	92.1	Very high	94.4	Very high	32 Å²	32	58 Å²	58	33%	0.33	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-60.2	176.4	0	0	0	0	0	112.1	T22 Y44 K66	T22-G46 WeakPolarHBondContact O-CA 3.38Å; T22-G46 PolarHBondContact O-N 2.86Å; Y44-G46 PolarHBondContact O-N 3.41Å; G46-K66 PolarHBondContact O-NZ 3.47Å
47	S	93.7	Very high	94.6	Very high	73 Å²	73	60.5 Å²	60.5	51%	0.51	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-15.2	-179.4	66.9	0	0	0	0	114.6	Y44 S49	Y44-S47 VanDerWaalsContact CD1-OG 3.25Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.5Å; S47-S49 VanDerWaalsContact C-N 3.26Å; S47-S49 VanDerWaalsContact OG-CB 3.26Å; S47-S49 WeakPolarHBondContact OG-CB 3.44Å; S47-S49 PolarHBondContact OG-N 2.78Å; S47-S49 VanDerWaalsContact OG-N 3.09Å; S47-S49 PolarHBondContact OG-OG 2.76Å
48	G	93.4	Very high	94.8	Very high	34 Å²	34	61 Å²	61	35%	0.351	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	12.5	-167.8	0	0	0	0	0	113.7	Y44	Y44-G48 VanDerWaalsContact O-CA 3.29Å; Y44-G48 WeakPolarHBondContact O-CA 3.2Å; Y44-G48 PolarHBondContact O-N 2.75Å
49	S	94.7	Very high	94.8	Very high	57 Å²	57	61.3 Å²	61.3	40%	0.399	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	144.6	175.1	-65.5	0	0	0	0	111.1	W42 Y44 S47	W42-S49 VanDerWaalsContact CZ3-O 3.31Å; W42-S49 WeakPolarHBondContact CZ3-O 3.37Å; Y44-S49 PolarHBondContact N-O 2.9Å; S47-S49 VanDerWaalsContact C-N 3.26Å; S47-S49 VanDerWaalsContact OG-CB 3.26Å; S47-S49 WeakPolarHBondContact OG-CB 3.44Å; S47-S49 PolarHBondContact OG-N 2.78Å; S47-S49 VanDerWaalsContact OG-N 3.09Å; S47-S49 PolarHBondContact OG-OG 2.76Å
50	I	95.9	Very high	95	Very high	67 Å²	67	57.8 Å²	57.8	34%	0.344	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.7	-175.1	-169.4	171	0	0	0	110.2	W42 F43 Y52 L62	W42-I50 WeakPolarHBondContact O-CA 3.43Å; W42-I50 WeakPolarHBondContact O-CG1 3.48Å; F43-I50 HydrophobicContact CD2-CB 4.09Å; F43-I50 HydrophobicContact CD2-CD1 4.04Å; F43-I50 HydrophobicContact CD2-CG1 4.14Å; I50-Y52 HydrophobicContact CD1-CD2 4.42Å; I50-Y52 HydrophobicContact CD1-CE1 4.14Å; I50-Y52 HydrophobicContact CD1-CE2 3.44Å; I50-Y52 VanDerWaalsContact CD1-CE2 3.44Å; I50-Y52 WeakPolarHBondContact CD1-OH 3.04Å; I50-Y52 HydrophobicContact CG1-CD2 4.35Å; I50-Y52 HydrophobicContact CG1-CE2 3.8Å; I50-Y52 HydrophobicContact CG2-CE2 4.47Å; I50-L62 HydrophobicContact CD1-CB 3.65Å; I50-L62 HydrophobicContact CD1-CD1 4.24Å; I50-L62 HydrophobicContact CD1-CG 4.06Å; I50-L62 HydrophobicContact CG1-CB 4.42Å; I50-L62 HydrophobicContact CG1-CD1 4.24Å
51	K	96.3	Very high	95.1	Very high	120 Å²	120	61.1 Å²	61.1	52%	0.522	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.7	170.8	-168.3	-179.5	177.5	175	0	109.7	W39 G41 W42	W39-K51 HydrophobicContact CH2-CB 4.38Å; W39-K51 HydrophobicContact CH2-CD 4.2Å; W39-K51 HydrophobicContact CH2-CG 4.07Å; G41-K51 CarbonylContact C-O 3.49Å; G41-K51 WeakPolarHBondContact CA-O 3.07Å; W42-K51 HydrophobicContact CD2-CB 3.98Å; W42-K51 VanDerWaalsContact CE2-CB 3.4Å; W42-K51 HydrophobicContact CG-CB 4.31Å; W42-K51 HydrophobicContact CZ2-CB 3.69Å; W42-K51 HydrophobicContact CZ2-CD 4.38Å; W42-K51 PolarHBondContact N-O 3.17Å; W42-K51 PolarHBondContact O-N 2.84Å
52	Y	97.2	Very high	95.1	Very high	50 Å²	50	61.4 Å²	61.4	20%	0.196	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	154	175.4	-65.8	-82.1	0	0	0	110.9	I50 K57 A60 L62	I50-Y52 HydrophobicContact CD1-CD2 4.42Å; I50-Y52 HydrophobicContact CD1-CE1 4.14Å; I50-Y52 HydrophobicContact CD1-CE2 3.44Å; I50-Y52 VanDerWaalsContact CD1-CE2 3.44Å; I50-Y52 WeakPolarHBondContact CD1-OH 3.04Å; I50-Y52 HydrophobicContact CG1-CD2 4.35Å; I50-Y52 HydrophobicContact CG1-CE2 3.8Å; I50-Y52 HydrophobicContact CG2-CE2 4.47Å; Y52-K57 HydrophobicContact CD2-CG 4.45Å; Y52-A60 HydrophobicContact CE1-CB 4.34Å; Y52-A60 WeakPolarHBondContact CE1-O 3.39Å; Y52-A60 PolarHBondContact OH-O 2.89Å; Y52-L62 HydrophobicContact CE1-CD1 4.19Å; Y52-L62 HydrophobicContact CE1-CG 3.76Å; Y52-L62 PolarHBondContact OH-N 2.77Å; Y52-L62 VanDerWaalsContact OH-N 3.11Å
53	N	96.3	Very high	95.2	Very high	47 Å²	47	61.3 Å²	61.3	25%	0.251	32%	0.324	S	S	.	.			trans	-74.5	134.3	153	-179.7	-22.2	0	0	0	108.1	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.8Å; W39-N53 VanDerWaalsContact O-CB 3.28Å; W39-N53 WeakPolarHBondContact O-CB 3.16Å; W39-N53 PolarHBondContact O-ND2 3.12Å; I40-N53 WeakPolarHBondContact O-CB 3.43Å; I40-N53 PolarHBondContact O-N 3.18Å; N53-K55 PolarHBondContact O-N 3.13Å; N53-K55 PolarHBondContact OD1-N 2.79Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.71Å; N53-K57 PolarHBondContact O-N 3.34Å
54	E	95.6	Very high	95.2	Very high	135 Å²	135	61.7 Å²	61.7	63%	0.631	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-53.9	-32.1	-177.8	-66.5	-58.4	146	0	0	112.7	F56 K57	E54-F56 PolarHBondContact O-N 3.45Å; E54-K57 IonicContact OE1-NZ 2.56Å; E54-K57 WeakPolarHBondContact OE2-CD 2.93Å; E54-K57 IonicContact OE2-NZ 3.72Å
55	K	93.7	Very high	95.3	Very high	154 Å²	154	61 Å²	61	67%	0.67	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-60.5	-26.2	175.8	-68.1	-173.1	-179.4	-177.9	0	114.3	N53	N53-K55 PolarHBondContact O-N 3.13Å; N53-K55 PolarHBondContact OD1-N 2.79Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å
56	F	95.6	Very high	95.3	Very high	10 Å²	10	66.2 Å²	66.2	4%	0.044	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-114.6	-5.1	-172.1	-64.2	-84.7	0	0	0	113.5	K30 I40 N53 E54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.37Å; K30-F56 HydrophobicContact CD-CZ 4.4Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.13Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.13Å; I40-F56 HydrophobicContact CG2-CB 3.79Å; I40-F56 HydrophobicContact CG2-CD1 4.22Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.71Å; E54-F56 PolarHBondContact O-N 3.45Å; F56-D58 VanDerWaalsContact C-N 3.28Å; F56-D58 PolarHBondContact O-N 3.02Å; F56-K59 PolarHBondContact O-N 3.41Å; F56-A60 HydrophobicContact CB-CB 4.32Å; F56-A60 PolarHBondContact O-N 2.82Å
57	K	94.3	Very high	95.4	Very high	107 Å²	107	69.9 Å²	69.9	47%	0.465	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37.7	-173.6	-172	178.4	-177.7	177.9	0	113.7	Y52 N53 E54 K59	Y52-K57 HydrophobicContact CD2-CG 4.45Å; N53-K57 PolarHBondContact O-N 3.34Å; E54-K57 IonicContact OE1-NZ 2.56Å; E54-K57 WeakPolarHBondContact OE2-CD 2.93Å; E54-K57 IonicContact OE2-NZ 3.72Å; K57-K59 VanDerWaalsContact C-N 3.35Å
58	D	94.8	Very high	95.4	Very high	128 Å²	128	68.1 Å²	68.1	68%	0.684	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	3.3	178.9	-59.8	-36.7	0	0	0	113.3	F56 R77	F56-D58 VanDerWaalsContact C-N 3.28Å; F56-D58 PolarHBondContact O-N 3.02Å; D58-R77 PolarHBondContact O-NH2 2.77Å
59	K	95.9	Very high	95.4	Very high	41 Å²	41	68.3 Å²	68.3	18%	0.178	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-39.4	-172	-163.2	167.7	-164.2	169.1	0	113.2	F56 K57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.41Å; K57-K59 VanDerWaalsContact C-N 3.35Å; K59-L75 WeakPolarHBondContact O-CA 3.32Å; K59-S76 WeakPolarHBondContact CG-O 3.31Å; K59-S76 PolarHBondContact O-N 3.12Å; K59-S76 PolarHBondContact O-OG 2.84Å; K59-D82 VanDerWaalsContact CE-CG 3.5Å; K59-D82 WeakPolarHBondContact CE-OD1 3.01Å; K59-D82 WeakPolarHBondContact CE-OD2 3.17Å; K59-D82 IonicContact NZ-OD1 3.32Å; K59-D82 PolarHBondContact NZ-OD1 2.85Å; K59-D82 IonicContact NZ-OD2 3.88Å; K59-D82 PolarHBondContact NZ-OD2 2.92Å
60	A	97.4	Very high	95.4	Very high	1 Å²	1	66 Å²	66	1%	0.008	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.4	-177	0	0	0	0	0	111	I40 Y52 F56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.84Å; Y52-A60 HydrophobicContact CE1-CB 4.34Å; Y52-A60 WeakPolarHBondContact CE1-O 3.39Å; Y52-A60 PolarHBondContact OH-O 2.89Å; F56-A60 HydrophobicContact CB-CB 4.32Å; F56-A60 PolarHBondContact O-N 2.82Å; A60-M73 HydrophobicContact CB-CG 4.33Å; A60-M73 HydrophobicContact CB-SD 4.36Å; A60-E74 CarbonylContact C-O 3.48Å; A60-E74 VanDerWaalsContact CA-O 3.32Å; A60-E74 WeakPolarHBondContact CA-O 3.39Å; A60-L75 HydrophobicContact CB-CD2 3.85Å
61	T	97.9	Very high	95.3	Very high	70 Å²	70	62.8 Å²	62.8	43%	0.429	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.8	169.4	-58.9	0	0	0	0	108.5	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.28Å; T61-M73 WeakPolarHBondContact O-CA 3.18Å; T61-E74 PolarHBondContact N-O 2.83Å; T61-E74 PolarHBondContact O-N 3.21Å
62	L	97.3	Very high	95.4	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.5	176.4	-41.5	179.2	0	0	0	110.8	W28 F43 I50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.18Å; F43-L62 HydrophobicContact CB-CB 4.27Å; F43-L62 HydrophobicContact CB-CD1 4.48Å; F43-L62 HydrophobicContact CD2-CB 4.34Å; I50-L62 HydrophobicContact CD1-CB 3.65Å; I50-L62 HydrophobicContact CD1-CD1 4.24Å; I50-L62 HydrophobicContact CD1-CG 4.06Å; I50-L62 HydrophobicContact CG1-CB 4.42Å; I50-L62 HydrophobicContact CG1-CD1 4.24Å; Y52-L62 HydrophobicContact CE1-CD1 4.19Å; Y52-L62 HydrophobicContact CE1-CG 3.76Å; Y52-L62 PolarHBondContact OH-N 2.77Å; Y52-L62 VanDerWaalsContact OH-N 3.11Å; L62-Y72 WeakPolarHBondContact CA-O 2.96Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.58Å; L62-M73 HydrophobicContact CD2-SD 4.11Å
63	T	96.5	Very high	95.4	Very high	61 Å²	61	57.2 Å²	57.2	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	166.6	176.9	56.4	0	0	0	0	110.5	T61 V71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.28Å; T63-V71 CarbonylContact O-C 3.57Å; T63-V71 WeakPolarHBondContact O-CA 3.46Å; T63-Y72 PolarHBondContact N-O 2.84Å; T63-Y72 PolarHBondContact O-N 2.97Å
64	A	95	Very high	95.4	Very high	32 Å²	32	59 Å²	59	26%	0.264	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.4	174.3	0	0	0	0	0	111.5	F21 F43 P45 T70 V71	F21-A64 HydrophobicContact CE1-CB 4.28Å; F21-A64 HydrophobicContact CZ-CB 4.15Å; F43-A64 HydrophobicContact CD1-CB 3.78Å; F43-A64 HydrophobicContact CE1-CB 3.34Å; F43-A64 HydrophobicContact CZ-CB 4.09Å; P45-A64 HydrophobicContact CB-CB 4.49Å; A64-T70 CarbonylContact C-O 3.53Å; A64-T70 WeakPolarHBondContact CA-O 3.12Å; A64-V71 HydrophobicContact CB-CG1 4.08Å
65	D	95.2	Very high	95.5	Very high	55 Å²	55	52.7 Å²	52.7	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	107.6	163.9	174.8	8	0	0	0	108.4	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.28Å; D65-S67 PolarHBondContact OD1-N 3.44Å; D65-S67 PolarHBondContact OD1-OG 2.65Å; D65-S67 PolarHBondContact OD2-OG 2.9Å; D65-S68 WeakPolarHBondContact CB-OG 3.43Å; D65-S68 PolarHBondContact OD1-N 2.95Å; D65-S68 WeakPolarHBondContact OD2-CB 3.45Å; D65-S68 PolarHBondContact OD2-OG 3Å; D65-S69 WeakPolarHBondContact O-CA 3.18Å; D65-S69 PolarHBondContact O-N 3.32Å; D65-T70 PolarHBondContact N-O 2.91Å; D65-T70 PolarHBondContact O-N 2.87Å; D65-Y72 HydrophobicContact CB-CE2 3.89Å
66	K	93.2	Very high	95.7	Very high	110 Å²	110	46.8 Å²	46.8	48%	0.478	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.3	-179.1	-56	-172.8	-167.6	-163.5	0	111.8	T22 P45 G46 S69	T22-K66 HydrophobicContact CG2-CD 4.24Å; P45-K66 WeakPolarHBondContact O-CE 3.45Å; P45-K66 PolarHBondContact O-NZ 3.14Å; G46-K66 PolarHBondContact O-NZ 3.47Å; K66-S69 PolarHBondContact O-N 3.12Å
67	S	92.7	Very high	95.7	Very high	109 Å²	109	54 Å²	54	76%	0.762	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-40.4	-177.4	73	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.28Å; D65-S67 PolarHBondContact OD1-N 3.44Å; D65-S67 PolarHBondContact OD1-OG 2.65Å; D65-S67 PolarHBondContact OD2-OG 2.9Å
68	S	94.4	Very high	95.8	Very high	36 Å²	36	49 Å²	49	25%	0.252	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	0.8	175	64.9	0	0	0	0	113.5	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.43Å; D65-S68 PolarHBondContact OD1-N 2.95Å; D65-S68 WeakPolarHBondContact OD2-CB 3.45Å; D65-S68 PolarHBondContact OD2-OG 3Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3.17Å; S68-T70 PolarHBondContact O-OG1 3.38Å; S68-T70 VanDerWaalsContact O-OG1 3.07Å; S68-T70 PolarHBondContact OG-OG1 3.36Å
69	S	93.4	Very high	95.9	Very high	38 Å²	38	45.6 Å²	45.6	27%	0.266	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	45.9	-174	-59	0	0	0	0	112.7	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.47Å; A16-S69 PolarHBondContact N-O 3.05Å; D65-S69 WeakPolarHBondContact O-CA 3.18Å; D65-S69 PolarHBondContact O-N 3.32Å; K66-S69 PolarHBondContact O-N 3.12Å
70	T	94.8	Very high	95.8	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.049	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.5	-174.4	-57.6	0	0	0	0	110.2	C14 K15 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.38Å; C14-T70 WeakPolarHBondContact O-CA 3.35Å; K15-T70 HydrophobicContact CB-CG2 4.5Å; A64-T70 CarbonylContact C-O 3.53Å; A64-T70 WeakPolarHBondContact CA-O 3.12Å; D65-T70 PolarHBondContact N-O 2.91Å; D65-T70 PolarHBondContact O-N 2.87Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3.17Å; S68-T70 PolarHBondContact O-OG1 3.38Å; S68-T70 VanDerWaalsContact O-OG1 3.07Å; S68-T70 PolarHBondContact OG-OG1 3.36Å; T70-Y72 HydrophobicContact CG2-CD1 4.29Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.71Å; T70-Y72 HydrophobicContact CG2-CE2 3.79Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
71	V	94.8	Very high	95.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	148.4	164.6	-63.3	0	0	0	0	110.3	S13 C14 F21 I26 W28 P45 T63 A64	S13-V71 CarbonylContact C-O 3.51Å; S13-V71 WeakPolarHBondContact CA-O 3.37Å; C14-V71 HydrophobicContact CB-CG2 3.73Å; C14-V71 PolarHBondContact N-O 3.22Å; C14-V71 PolarHBondContact O-N 2.85Å; F21-V71 HydrophobicContact CE2-CG1 3.74Å; F21-V71 HydrophobicContact CZ-CG1 3.51Å; I26-V71 HydrophobicContact CB-CG1 4Å; I26-V71 HydrophobicContact CB-CG2 4.29Å; I26-V71 HydrophobicContact CG1-CG1 3.93Å; I26-V71 HydrophobicContact CG2-CG1 4.24Å; I26-V71 HydrophobicContact CG2-CG2 3.63Å; W28-V71 HydrophobicContact CZ2-CG2 3.91Å; P45-V71 HydrophobicContact CG-CG1 4.45Å; T63-V71 CarbonylContact O-C 3.57Å; T63-V71 WeakPolarHBondContact O-CA 3.46Å; A64-V71 HydrophobicContact CB-CG1 4.08Å
72	Y	96.6	Very high	95.5	Very high	54 Å²	54	50.7 Å²	50.7	21%	0.212	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.7	176.3	-55.6	-89.2	0	0	0	110.3	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.38Å; L12-Y72 CarbonylContact O-C 3.53Å; L12-Y72 WeakPolarHBondContact O-CA 3.28Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å; L62-Y72 WeakPolarHBondContact CA-O 2.96Å; T63-Y72 PolarHBondContact N-O 2.84Å; T63-Y72 PolarHBondContact O-N 2.97Å; D65-Y72 HydrophobicContact CB-CE2 3.89Å; T70-Y72 HydrophobicContact CG2-CD1 4.29Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.71Å; T70-Y72 HydrophobicContact CG2-CE2 3.79Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
73	M	97.4	Very high	95.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.2	166.4	177	178.3	67.8	0	0	108.4	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.68Å; L12-M73 HydrophobicContact CG-CE 4.44Å; L12-M73 PolarHBondContact N-O 3.07Å; L12-M73 PolarHBondContact O-N 2.85Å; W28-M73 HydrophobicContact CB-SD 4.02Å; W28-M73 HydrophobicContact CD2-CB 3.77Å; W28-M73 HydrophobicContact CD2-CE 4.25Å; W28-M73 HydrophobicContact CD2-SD 4.13Å; W28-M73 HydrophobicContact CE3-CB 4.18Å; W28-M73 HydrophobicContact CE3-CE 3.79Å; W28-M73 HydrophobicContact CE3-SD 4.25Å; W28-M73 HydrophobicContact CG-CB 4.19Å; W28-M73 HydrophobicContact CG-SD 4.05Å; W28-M73 HydrophobicContact CH2-CB 4.27Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.42Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; I40-M73 HydrophobicContact CD1-CE 3.91Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 3.93Å; A60-M73 HydrophobicContact CB-CG 4.33Å; A60-M73 HydrophobicContact CB-SD 4.36Å; T61-M73 WeakPolarHBondContact O-CA 3.18Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.58Å; L62-M73 HydrophobicContact CD2-SD 4.11Å; M73-L75 HydrophobicContact CE-CD1 3.77Å; M73-L75 HydrophobicContact CE-CD2 4.16Å; M73-L75 HydrophobicContact CE-CG 3.9Å; M73-L75 HydrophobicContact CG-CD2 4.3Å; M73-L75 HydrophobicContact CG-CG 4.25Å; M73-L75 HydrophobicContact SD-CD2 3.96Å; M73-L75 HydrophobicContact SD-CG 4.23Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.11Å; M73-Y86 HydrophobicContact CE-CG 4.2Å
74	E	97.9	Very high	95.4	Very high	85 Å²	85	49.7 Å²	49.7	40%	0.397	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.8	169.6	-172.4	172.7	171.9	0	0	109.2	V10 A60 T61	V10-E74 CarbonylContact O-C 3.58Å; V10-E74 WeakPolarHBondContact O-CA 3.49Å; A60-E74 CarbonylContact C-O 3.48Å; A60-E74 VanDerWaalsContact CA-O 3.32Å; A60-E74 WeakPolarHBondContact CA-O 3.39Å; T61-E74 PolarHBondContact N-O 2.83Å; T61-E74 PolarHBondContact O-N 3.21Å
75	L	97.3	Very high	95.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.9	173.3	-65	167.4	0	0	0	108.6	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.38Å; S9-L75 WeakPolarHBondContact CB-O 3.46Å; V10-L75 HydrophobicContact CG1-CB 4.14Å; V10-L75 HydrophobicContact CG1-CD1 4.29Å; V10-L75 PolarHBondContact N-O 2.99Å; V10-L75 PolarHBondContact O-N 3.12Å; K59-L75 WeakPolarHBondContact O-CA 3.32Å; A60-L75 HydrophobicContact CB-CD2 3.85Å; M73-L75 HydrophobicContact CE-CD1 3.77Å; M73-L75 HydrophobicContact CE-CD2 4.16Å; M73-L75 HydrophobicContact CE-CG 3.9Å; M73-L75 HydrophobicContact CG-CD2 4.3Å; M73-L75 HydrophobicContact CG-CG 4.25Å; M73-L75 HydrophobicContact SD-CD2 3.96Å; M73-L75 HydrophobicContact SD-CG 4.23Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; L75-Y86 HydrophobicContact CD1-CD1 4.16Å; L75-Y86 HydrophobicContact CD1-CE1 3.52Å; L75-Y86 HydrophobicContact CD1-CE2 4.23Å
76	S	97.1	Very high	95.5	Very high	30 Å²	30	47.4 Å²	47.4	21%	0.21	26%	0.257	C	S	.	.			trans	-108	157.1	-179.5	65.1	0	0	0	0	112.3	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.34Å; K59-S76 WeakPolarHBondContact CG-O 3.31Å; K59-S76 PolarHBondContact O-N 3.12Å; K59-S76 PolarHBondContact O-OG 2.84Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.94Å
77	R	96.1	Very high	95.6	Very high	162 Å²	162	43.8 Å²	43.8	61%	0.611	24%	0.241	S	C	*	.	S	Bend	trans	53.3	51.3	172.3	-58.3	176.9	-72.8	178.2	-2.1	111.9	A8 D58	A8-R77 PolarHBondContact O-N 3.23Å; D58-R77 PolarHBondContact O-NH2 2.77Å
78	L	96.4	Very high	95.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.21	C	C	.	.			trans	-63.9	139.7	-173.8	-69.8	172.7	0	0	0	112.2	V4 P6 G7 A8 V10 L75 S76 D82 V112	V4-L78 HydrophobicContact CG2-CD1 3.56Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.31Å; G7-L78 PolarHBondContact N-O 2.95Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 2.7Å; V10-L78 HydrophobicContact CB-CD1 4.03Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.94Å; L78-D82 VanDerWaalsContact CA-OD2 3.28Å; L78-D82 WeakPolarHBondContact CA-OD2 3.18Å; L78-D82 HydrophobicContact CD2-CB 3.61Å; L78-V112 HydrophobicContact CB-CG1 4.24Å; L78-V112 HydrophobicContact CB-CG2 3.98Å; L78-V112 HydrophobicContact CD1-CG2 4.41Å
79	T	95.9	Very high	95.4	Very high	58 Å²	58	37.8 Å²	37.8	36%	0.356	20%	0.2	S	C	.	.			trans	-119.5	168.3	174.7	66	0	0	0	0	109.7	E81 D82 V112	T79-E81 PolarHBondContact O-N 3.37Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 3.43Å; T79-D82 WeakPolarHBondContact O-CB 3.15Å; T79-D82 PolarHBondContact O-N 2Å; T79-D82 PolarHBondContact OG1-OD2 2.9Å; T79-V112 WeakPolarHBondContact O-CB 3.05Å; T79-V112 WeakPolarHBondContact O-CG2 2.98Å
80	S	94.5	Very high	95.1	Very high	87 Å²	87	37.4 Å²	37.4	61%	0.608	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-53.5	-32.9	176.1	51.9	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.82Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.11Å; S80-S83 PolarHBondContact O-N 2.9Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 2.87Å
81	E	93	Very high	94.5	Very high	125 Å²	125	37.5 Å²	37.5	58%	0.584	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-64.3	-18.4	176.6	-62.4	-171.9	179.6	0	0	114.1	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.96Å; R32-E81 PolarHBondContact NH1-O 2.79Å; T79-E81 PolarHBondContact O-N 3.37Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.28Å
82	D	95.2	Very high	93.1	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.032	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-81.3	-6.8	175.9	-58.5	-49.1	0	0	0	114	K30 K59 L78 T79 S80 A84 Y86 V112	K30-D82 IonicContact NZ-OD1 3.64Å; K59-D82 VanDerWaalsContact CE-CG 3.5Å; K59-D82 WeakPolarHBondContact CE-OD1 3.01Å; K59-D82 WeakPolarHBondContact CE-OD2 3.17Å; K59-D82 IonicContact NZ-OD1 3.32Å; K59-D82 PolarHBondContact NZ-OD1 2.85Å; K59-D82 IonicContact NZ-OD2 3.88Å; K59-D82 PolarHBondContact NZ-OD2 2.92Å; L78-D82 VanDerWaalsContact CA-OD2 3.28Å; L78-D82 WeakPolarHBondContact CA-OD2 3.18Å; L78-D82 HydrophobicContact CD2-CB 3.61Å; T79-D82 PolarHBondContact N-OD2 3.43Å; T79-D82 WeakPolarHBondContact O-CB 3.15Å; T79-D82 PolarHBondContact O-N 2Å; T79-D82 PolarHBondContact OG1-OD2 2.9Å; S80-D82 PolarHBondContact O-N 2.82Å; D82-A84 PolarHBondContact O-N 3.11Å; D82-A84 VanDerWaalsContact O-N 3.12Å; D82-Y86 WeakPolarHBondContact O-CE2 2.92Å; D82-Y86 PolarHBondContact O-OH 3.44Å; D82-V112 HydrophobicContact CB-CG2 4.19Å
83	S	96.4	Very high	91.3	Very high	38 Å²	38	42.5 Å²	42.5	27%	0.266	22%	0.221	S	C	.	.			trans	-63.7	113.7	174.7	-56.7	0	0	0	0	110.1	S80 E81 V110 V112	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.11Å; S80-S83 PolarHBondContact O-N 2.9Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 2.87Å; E81-S83 VanDerWaalsContact C-N 3.28Å; S83-V110 CarbonylContact C-O 3.59Å; S83-V110 VanDerWaalsContact CA-O 3.28Å; S83-V110 WeakPolarHBondContact CA-O 3.43Å; S83-V112 PolarHBondContact OG-N 2.63Å
84	A	96.8	Very high	89.3	Confident	8 Å²	8	50.2 Å²	50.2	7%	0.066	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	170.3	-171.4	0	0	0	0	0	111.4	K30 Q31 R32 D82 Y86 V110	K30-A84 HydrophobicContact CD-CB 3.92Å; K30-A84 HydrophobicContact CG-CB 3.34Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.4Å; R32-A84 HydrophobicContact CG-CB 4.12Å; D82-A84 PolarHBondContact O-N 3.11Å; D82-A84 VanDerWaalsContact O-N 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; A84-V110 PolarHBondContact N-O 2.79Å; A84-V110 PolarHBondContact O-N 3.45Å
85	V	96.1	Very high	87.1	Confident	37 Å²	37	50.5 Å²	50.5	22%	0.224	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130	162.3	-169.4	0	0	0	0	108.5	Q31 F87	Q31-V85 PolarHBondContact N-O 2.89Å; Q31-V85 PolarHBondContact O-N 2.83Å; V85-F87 HydrophobicContact CB-CE2 3.73Å; V85-F87 HydrophobicContact CB-CZ 3.88Å; V85-F87 HydrophobicContact CG1-CD2 4.29Å; V85-F87 HydrophobicContact CG1-CE1 3.87Å; V85-F87 HydrophobicContact CG1-CE2 3.55Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å
86	Y	96	Very high	84.9	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.7	179	-68.6	-92.3	0	0	0	110	L12 V29 K30 I40 M73 L75 D82 A84 G107 T108 V110	L12-Y86 VanDerWaalsContact CD1-CB 3.48Å; L12-Y86 HydrophobicContact CD1-CD1 4.35Å; L12-Y86 HydrophobicContact CD1-CD2 4.05Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; V29-Y86 WeakPolarHBondContact O-CA 3.05Å; K30-Y86 HydrophobicContact CB-CD1 3.94Å; K30-Y86 HydrophobicContact CB-CE1 3.77Å; K30-Y86 HydrophobicContact CD-CE1 3.75Å; K30-Y86 WeakPolarHBondContact CD-OH 2.7Å; K30-Y86 WeakPolarHBondContact CE-OH 3.18Å; K30-Y86 HydrophobicContact CG-CD1 4.1Å; K30-Y86 HydrophobicContact CG-CE1 3.62Å; K30-Y86 HydrophobicContact CG-CE2 4.45Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.11Å; M73-Y86 HydrophobicContact CE-CG 4.2Å; L75-Y86 HydrophobicContact CD1-CD1 4.16Å; L75-Y86 HydrophobicContact CD1-CE1 3.52Å; L75-Y86 HydrophobicContact CD1-CE2 4.23Å; D82-Y86 WeakPolarHBondContact O-CE2 2.92Å; D82-Y86 PolarHBondContact O-OH 3.44Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; Y86-G107 CarbonylContact O-C 3.56Å; Y86-G107 WeakPolarHBondContact O-CA 3.43Å; Y86-T108 PolarHBondContact N-O 3.03Å; Y86-T108 PolarHBondContact O-N 3.34Å; Y86-V110 HydrophobicContact CD2-CB 4.02Å; Y86-V110 HydrophobicContact CD2-CG2 3.65Å; Y86-V110 HydrophobicContact CE2-CB 3.78Å; Y86-V110 HydrophobicContact CE2-CG2 3.85Å
87	F	94.1	Very high	82.6	Confident	34 Å²	34	57.8 Å²	57.8	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.5	-177.5	-58.9	-87.6	0	0	0	110.2	W28 V29 Q31 V85 V103 T106 G107	W28-F87 WeakPolarHBondContact CA-O 3.36Å; V29-F87 PolarHBondContact N-O 3.47Å; V29-F87 PolarHBondContact O-N 2.92Å; Q31-F87 HydrophobicContact CB-CD2 4.4Å; Q31-F87 HydrophobicContact CB-CE2 3.78Å; V85-F87 HydrophobicContact CB-CE2 3.73Å; V85-F87 HydrophobicContact CB-CZ 3.88Å; V85-F87 HydrophobicContact CG1-CD2 4.29Å; V85-F87 HydrophobicContact CG1-CE1 3.87Å; V85-F87 HydrophobicContact CG1-CE2 3.55Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; F87-V103 HydrophobicContact CB-CG1 4.33Å; F87-V103 HydrophobicContact CD1-CG1 3.98Å; F87-T106 VanDerWaalsContact CE1-O 3.28Å; F87-T106 WeakPolarHBondContact CE1-O 3.4Å; F87-G107 VanDerWaalsContact CD1-CA 3.46Å
88	C	92.8	Very high	80.2	Confident	16 Å²	16	59 Å²	59	11%	0.108	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142	162.3	55.6	0	0	0	0	109.2	C14 I26 H27 W28 W104	C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.3Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 3.13Å; I26-C88 HydrophobicContact CG2-CB 4.43Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.29Å; W28-C88 HydrophobicContact CD2-CB 4.37Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.32Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.22Å; C88-W104 PolarHBondContact O-N 3.33Å; C88-W104 VanDerWaalsContact O-N 3.12Å
89	A	90.6	Very high	78.2	Confident	4 Å²	4	68.4 Å²	68.4	3%	0.033	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.8	176.9	0	0	0	0	0	111.1	H27 F101 D102 V103	H27-A89 PolarHBondContact N-O 2.89Å; H27-A89 PolarHBondContact O-N 2.78Å; A89-F101 HydrophobicContact CB-CB 3.85Å; A89-F101 HydrophobicContact CB-CD1 3.84Å; A89-F101 HydrophobicContact CB-CG 4.16Å; A89-D102 CarbonylContact C-O 3.59Å; A89-D102 VanDerWaalsContact CA-O 3.25Å; A89-D102 WeakPolarHBondContact CA-O 3.06Å; A89-V103 HydrophobicContact CB-CG2 4.36Å
90	R	87.6	Confident	76.3	Confident	30 Å²	30	72.9 Å²	72.9	11%	0.113	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.2	171.5	168.9	176.9	76.1	144.7	12	110.9	Y19 Y24 I26 E92 F101 D102 W104	Y19-R90 VanDerWaalsContact CG-NH1 3.33Å; Y24-R90 HydrophobicContact CD1-CG 3.69Å; Y24-R90 HydrophobicContact CG-CG 3.86Å; I26-R90 HydrophobicContact CD1-CB 4.4Å; R90-E92 HydrophobicContact CG-CG 4.3Å; R90-E92 IonicContact CZ-OE1 2.7Å; R90-E92 IonicContact NE-OE1 3.87Å; R90-E92 IonicContact NH1-OE1 3.76Å; R90-E92 PolarHBondContact NH1-OE1 2.79Å; R90-E92 VanDerWaalsContact NH2-CD 3.27Å; R90-E92 IonicContact NH2-OE1 2.95Å; R90-E92 PolarHBondContact NH2-OE1 3.38Å; R90-E92 IonicContact NH2-OE2 2.76Å; R90-F101 WeakPolarHBondContact O-CA 3.48Å; R90-D102 HydrophobicContact CB-CB 4.25Å; R90-D102 IonicContact CZ-OD2 3.66Å; R90-D102 PolarHBondContact N-O 2.99Å; R90-D102 IonicContact NE-OD2 2.93Å; R90-D102 PolarHBondContact NE-OD2 3.28Å; R90-D102 IonicContact NH2-OD2 3.92Å; R90-D102 PolarHBondContact NH2-OD2 3.07Å; R90-D102 PolarHBondContact O-N 2.73Å; R90-W104 VanDerWaalsContact CB-CE2 3.5Å; R90-W104 HydrophobicContact CB-CZ2 3.6Å; R90-W104 HydrophobicContact CG-CZ2 4.21Å
91	H	81.1	Confident	74.9	Confident	10 Å²	10	72.8 Å²	72.8	5%	0.046	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126	165.4	-174.9	-118.2	0	0	0	109.9	Y24 T25 D93 W99 F101	Y24-H91 WeakPolarHBondContact CD1-O 3.37Å; T25-H91 PolarHBondContact O-N 2.97Å; H91-D93 IonicContact CE1-OD1 3.26Å; H91-D93 PolarHBondContact CE1-OD1 3.38Å; H91-D93 IonicContact ND1-OD1 2.88Å; H91-D93 PolarHBondContact ND1-OD1 3Å; H91-D93 IonicContact ND1-OD2 2.85Å; H91-W99 AromaticContact CD2-CE3 3.89Å; H91-W99 AromaticContact CE1-CE3 3.73Å; H91-W99 AromaticContact CE1-CZ3 3.62Å; H91-W99 AromaticContact NE2-CD2 3.99Å; H91-W99 AromaticContact NE2-CE3 3.15Å; H91-W99 AromaticContact NE2-CZ3 3.55Å; H91-F101 HydrophobicContact CB-CE1 4.2Å
92	E	66	Low	73.7	Confident	33 Å²	33	68.8 Å²	68.8	15%	0.154	35%	0.353	C	S	.	.			trans	-97.6	113.8	170.2	-51.5	-164.7	126.9	0	0	109.1	Y24 R90 Y94	Y24-E92 HydrophobicContact CD1-CB 4.32Å; Y24-E92 HydrophobicContact CD1-CG 3.9Å; Y24-E92 HydrophobicContact CE1-CB 3.99Å; Y24-E92 HydrophobicContact CE1-CG 3.55Å; R90-E92 HydrophobicContact CG-CG 4.3Å; R90-E92 IonicContact CZ-OE1 2.7Å; R90-E92 IonicContact NE-OE1 3.87Å; R90-E92 IonicContact NH1-OE1 3.76Å; R90-E92 PolarHBondContact NH1-OE1 2.79Å; R90-E92 VanDerWaalsContact NH2-CD 3.27Å; R90-E92 IonicContact NH2-OE1 2.95Å; R90-E92 PolarHBondContact NH2-OE1 3.38Å; R90-E92 IonicContact NH2-OE2 2.76Å; E92-Y94 VanDerWaalsContact C-N 3.25Å; E92-Y94 HydrophobicContact CB-CD2 3.78Å; E92-Y94 HydrophobicContact CB-CE2 3.7Å; E92-Y94 HydrophobicContact CG-CE2 4.38Å; E92-Y94 PolarHBondContact O-N 2.81Å; E92-Y94 VanDerWaalsContact OE2-CE2 3.28Å; E92-Y94 WeakPolarHBondContact OE2-CE2 3.47Å
93	D	58.4	Low	72.6	Confident	126 Å²	126	72.2 Å²	72.2	67%	0.674	37%	0.374	S	S	*	.			trans	-77.3	73.4	174.6	-78.9	-53.3	0	0	0	110.2	H91 G95	H91-D93 IonicContact CE1-OD1 3.26Å; H91-D93 PolarHBondContact CE1-OD1 3.38Å; H91-D93 IonicContact ND1-OD1 2.88Å; H91-D93 PolarHBondContact ND1-OD1 3Å; H91-D93 IonicContact ND1-OD2 2.85Å; D93-G95 PolarHBondContact O-N 3.23Å
94	Y	55.1	Low	71.4	Confident	162 Å²	162	72.8 Å²	72.8	64%	0.635	37%	0.37	S	S	*	.			trans	-75.1	120.8	163.4	-75.4	-84.7	0	0	0	108.1	E92 S96	E92-Y94 VanDerWaalsContact C-N 3.25Å; E92-Y94 HydrophobicContact CB-CD2 3.78Å; E92-Y94 HydrophobicContact CB-CE2 3.7Å; E92-Y94 HydrophobicContact CG-CE2 4.38Å; E92-Y94 PolarHBondContact O-N 2.81Å; E92-Y94 VanDerWaalsContact OE2-CE2 3.28Å; E92-Y94 WeakPolarHBondContact OE2-CE2 3.47Å; Y94-S96 PolarHBondContact O-N 2.84Å
95	G	51.8	Low	70.2	Confident	90 Å²	90	74.6 Å²	74.6	93%	0.928	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	21.3	-169.6	0	0	0	0	0	119.6	D93	D93-G95 PolarHBondContact O-N 3.23Å
96	S	52.2	Low	69.6	Low	85 Å²	85	79.2 Å²	79.2	59%	0.594	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.7	113.6	162.9	57.1	0	0	0	0	111.6	Y94 Y98	Y94-S96 PolarHBondContact O-N 2.84Å; S96-Y98 WeakPolarHBondContact O-CD2 3.48Å; S96-Y98 PolarHBondContact O-N 2.85Å
97	S	49.5	Very low	69.3	Low	100 Å²	100	80.3 Å²	80.3	70%	0.699	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	8.3	147.7	56.3	0	0	0	0	122.1
98	Y	45.7	Very low	69.3	Low	188 Å²	188	80.8 Å²	80.8	74%	0.737	44%	0.435	S	S	*	.			trans	-119.6	110.9	175.5	-68.3	-80.1	0	0	0	112.8	S96 Y100	S96-Y98 WeakPolarHBondContact O-CD2 3.48Å; S96-Y98 PolarHBondContact O-N 2.85Å; Y98-Y100 PolarHBondContact O-N 2.96Å
99	W	53.7	Low	69.5	Low	197 Å²	197	83 Å²	83	75%	0.746	45%	0.448	S	S	*	.			trans	-87.7	88	175	-59.8	90.2	0	0	0	109.5	H91	H91-W99 AromaticContact CD2-CE3 3.89Å; H91-W99 AromaticContact CE1-CE3 3.73Å; H91-W99 AromaticContact CE1-CZ3 3.62Å; H91-W99 AromaticContact NE2-CD2 3.99Å; H91-W99 AromaticContact NE2-CE3 3.15Å; H91-W99 AromaticContact NE2-CZ3 3.55Å
100	Y	55.6	Low	69.8	Low	153 Å²	153	82.8 Å²	82.8	60%	0.6	45%	0.447	S	S	*	.			trans	-100.7	124.2	172.1	-164.5	-114.3	0	0	0	110.2	Y98 D102	Y98-Y100 PolarHBondContact O-N 2.96Å; Y100-D102 WeakPolarHBondContact CE1-OD1 3.29Å
101	F	65.6	Low	70.2	Confident	85 Å²	85	84.2 Å²	84.2	37%	0.373	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.5	172.3	-78.3	-60.1	0	0	0	108.9	H27 A89 R90 H91 V103	H27-F101 HydrophobicContact CB-CD1 4.46Å; H27-F101 HydrophobicContact CB-CE1 3.95Å; H27-F101 AromaticContact CD2-CE1 3.54Å; H27-F101 AromaticContact CE1-CE1 3.77Å; H27-F101 AromaticContact CE1-CZ 3.92Å; H27-F101 AromaticContact CG-CE1 3.43Å; H27-F101 VanDerWaalsContact CG-CE1 3.43Å; H27-F101 AromaticContact ND1-CE1 3.58Å; H27-F101 AromaticContact ND1-CZ 3.76Å; H27-F101 AromaticContact NE2-CE1 3.77Å; A89-F101 HydrophobicContact CB-CB 3.85Å; A89-F101 HydrophobicContact CB-CD1 3.84Å; A89-F101 HydrophobicContact CB-CG 4.16Å; R90-F101 WeakPolarHBondContact O-CA 3.48Å; H91-F101 HydrophobicContact CB-CE1 4.2Å; F101-V103 PolarHBondContact O-N 3.09Å
102	D	68.5	Low	70.9	Confident	41 Å²	41	84.1 Å²	84.1	22%	0.219	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	104.1	168	-79.7	-54.3	0	0	0	109.1	A89 R90 Y100 W104	A89-D102 CarbonylContact C-O 3.59Å; A89-D102 VanDerWaalsContact CA-O 3.25Å; A89-D102 WeakPolarHBondContact CA-O 3.06Å; R90-D102 HydrophobicContact CB-CB 4.25Å; R90-D102 IonicContact CZ-OD2 3.66Å; R90-D102 PolarHBondContact N-O 2.99Å; R90-D102 IonicContact NE-OD2 2.93Å; R90-D102 PolarHBondContact NE-OD2 3.28Å; R90-D102 IonicContact NH2-OD2 3.92Å; R90-D102 PolarHBondContact NH2-OD2 3.07Å; R90-D102 PolarHBondContact O-N 2.73Å; Y100-D102 WeakPolarHBondContact CE1-OD1 3.29Å; D102-W104 PolarHBondContact O-N 2.95Å
103	V	71.7	Confident	72.2	Confident	78 Å²	78	85 Å²	85	47%	0.473	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.1	176.2	-171	0	0	0	0	109.1	F87 A89 F101 G105	F87-V103 HydrophobicContact CB-CG1 4.33Å; F87-V103 HydrophobicContact CD1-CG1 3.98Å; A89-V103 HydrophobicContact CB-CG2 4.36Å; F101-V103 PolarHBondContact O-N 3.09Å; V103-G105 WeakPolarHBondContact CG1-O 3.25Å; V103-G105 PolarHBondContact O-N 3.02Å; V103-G105 VanDerWaalsContact O-N 3.12Å
104	W	70.1	Confident	73.5	Confident	50 Å²	50	86.1 Å²	86.1	19%	0.189	49%	0.486	C	S	.	.			trans	-82	18.4	-175.6	-66.7	1.7	0	0	0	114.3	A16 Y19 F21 I26 C88 R90 D102	A16-W104 HydrophobicContact CB-CE3 4.13Å; A16-W104 HydrophobicContact CB-CH2 3.6Å; A16-W104 HydrophobicContact CB-CZ3 3.37Å; Y19-W104 HydrophobicContact CE1-CZ2 4.13Å; Y19-W104 AromaticContact CE1-NE1 3.95Å; Y19-W104 AromaticContact CE2-CH2 3.63Å; Y19-W104 HydrophobicContact CE2-CH2 3.63Å; Y19-W104 AromaticContact CE2-CZ2 3.37Å; Y19-W104 HydrophobicContact CE2-CZ2 3.37Å; Y19-W104 AromaticContact CZ-CE2 3.4Å; Y19-W104 VanDerWaalsContact CZ-CE2 3.4Å; Y19-W104 AromaticContact CZ-CH2 3.58Å; Y19-W104 AromaticContact CZ-CZ2 3.11Å; Y19-W104 AromaticContact CZ-NE1 3.75Å; Y19-W104 VanDerWaalsContact OH-CE3 3.24Å; Y19-W104 WeakPolarHBondContact OH-CH2 3.38Å; Y19-W104 WeakPolarHBondContact OH-CZ2 3.35Å; Y19-W104 WeakPolarHBondContact OH-CZ3 3.26Å; Y19-W104 PolarHBondContact OH-NE1 3.33Å; F21-W104 AromaticContact CD2-CH2 3.8Å; F21-W104 HydrophobicContact CD2-CH2 3.8Å; F21-W104 HydrophobicContact CD2-CZ3 4.21Å; F21-W104 AromaticContact CE2-CH2 3.92Å; F21-W104 HydrophobicContact CE2-CH2 3.92Å; F21-W104 HydrophobicContact CE2-CZ3 4.08Å; I26-W104 HydrophobicContact CD1-CH2 3.17Å; I26-W104 HydrophobicContact CD1-CZ2 3.17Å; I26-W104 HydrophobicContact CD1-CZ3 4.27Å; I26-W104 HydrophobicContact CG1-CH2 3.73Å; I26-W104 HydrophobicContact CG1-CZ2 4.18Å; I26-W104 HydrophobicContact CG1-CZ3 4.48Å; I26-W104 HydrophobicContact CG2-CH2 4.24Å; I26-W104 HydrophobicContact CG2-CZ3 4.4Å; C88-W104 PolarHBondContact O-N 3.33Å; C88-W104 VanDerWaalsContact O-N 3.12Å; R90-W104 VanDerWaalsContact CB-CE2 3.5Å; R90-W104 HydrophobicContact CB-CZ2 3.6Å; R90-W104 HydrophobicContact CG-CZ2 4.21Å; D102-W104 PolarHBondContact O-N 2.95Å
105	G	72.4	Confident	74.4	Confident	45 Å²	45	82.3 Å²	82.3	46%	0.464	48%	0.479	S	S	.	.	S	Bend	trans	160.6	-167.4	177.5	0	0	0	0	0	113.9	V103 G107	V103-G105 WeakPolarHBondContact CG1-O 3.25Å; V103-G105 PolarHBondContact O-N 3.02Å; V103-G105 VanDerWaalsContact O-N 3.12Å; G105-G107 PolarHBondContact O-N 2.6Å
106	T	82.7	Confident	75.6	Confident	134 Å²	134	81.9 Å²	81.9	82%	0.822	46%	0.455	S	S	*	.	S	Bend	trans	-80.9	0.2	-176.6	57	0	0	0	0	114.1	F87	F87-T106 VanDerWaalsContact CE1-O 3.28Å; F87-T106 WeakPolarHBondContact CE1-O 3.4Å
107	G	89.6	Confident	76.9	Confident	26 Å²	26	81.7 Å²	81.7	27%	0.268	45%	0.448	S	S	.	.			trans	75.7	169.5	-172.7	0	0	0	0	0	113.8	Y86 F87 G105	Y86-G107 CarbonylContact O-C 3.56Å; Y86-G107 WeakPolarHBondContact O-CA 3.43Å; F87-G107 VanDerWaalsContact CD1-CA 3.46Å; G105-G107 PolarHBondContact O-N 2.6Å
108	T	94.6	Very high	78.5	Confident	43 Å²	43	80.6 Å²	80.6	26%	0.264	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.9	179.3	-60.3	0	0	0	0	109.9	E2 L12 Y86 V110	E2-T108 HydrophobicContact CG-CG2 4.45Å; L12-T108 HydrophobicContact CD2-CG2 3.91Å; Y86-T108 PolarHBondContact N-O 3.03Å; Y86-T108 PolarHBondContact O-N 3.34Å; T108-V110 PolarHBondContact O-N 3.17Å
109	T	96.3	Very high	80.6	Confident	62 Å²	62	73.9 Å²	73.9	38%	0.38	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.8	171.8	-50.8	0	0	0	0	110.2	A1 E2	A1-T109 CarbonylContact C-O 3.58Å; A1-T109 WeakPolarHBondContact CA-O 3.27Å; E2-T109 PolarHBondContact N-O 3.26Å
110	V	96.8	Very high	82.4	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.2	167.6	179.9	0	0	0	0	107.6	E2 V4 V10 L12 S83 A84 Y86 T108 V112	E2-V110 HydrophobicContact CB-CG2 4.3Å; E2-V110 CarbonylContact O-C 3.53Å; E2-V110 WeakPolarHBondContact O-CA 3.33Å; V4-V110 HydrophobicContact CG2-CG1 4.16Å; V10-V110 HydrophobicContact CG1-CG1 4.35Å; V10-V110 HydrophobicContact CG1-CG2 4.37Å; L12-V110 HydrophobicContact CD1-CG2 4.13Å; L12-V110 HydrophobicContact CD2-CG2 3.94Å; S83-V110 CarbonylContact C-O 3.59Å; S83-V110 VanDerWaalsContact CA-O 3.28Å; S83-V110 WeakPolarHBondContact CA-O 3.43Å; A84-V110 PolarHBondContact N-O 2.79Å; A84-V110 PolarHBondContact O-N 3.45Å; Y86-V110 HydrophobicContact CD2-CB 4.02Å; Y86-V110 HydrophobicContact CD2-CG2 3.65Å; Y86-V110 HydrophobicContact CE2-CB 3.78Å; Y86-V110 HydrophobicContact CE2-CG2 3.85Å; T108-V110 PolarHBondContact O-N 3.17Å; V110-V112 HydrophobicContact CG1-CG2 4.37Å
111	T	97	Very high	84.3	Confident	60 Å²	60	59.5 Å²	59.5	37%	0.368	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.6	176.4	-59.7	0	0	0	0	109.1	E2 L3 V4	E2-T111 PolarHBondContact O-N 3.35Å; L3-T111 WeakPolarHBondContact CA-O 3.14Å; L3-T111 HydrophobicContact CD1-CG2 3.78Å; V4-T111 PolarHBondContact N-O 3.45Å
112	V	96.1	Very high	85.7	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.048	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106	179.9	-169.7	0	0	0	0	108.7	V4 P6 L78 T79 D82 S83 V110	V4-V112 HydrophobicContact CG2-CB 4.41Å; V4-V112 HydrophobicContact CG2-CG1 4.48Å; V4-V112 HydrophobicContact CG2-CG2 3.85Å; V4-V112 VanDerWaalsContact O-CA 3.3Å; V4-V112 WeakPolarHBondContact O-CA 3.44Å; P6-V112 HydrophobicContact CB-CG1 4.38Å; P6-V112 HydrophobicContact CG-CG1 4.13Å; L78-V112 HydrophobicContact CB-CG1 4.24Å; L78-V112 HydrophobicContact CB-CG2 3.98Å; L78-V112 HydrophobicContact CD1-CG2 4.41Å; T79-V112 WeakPolarHBondContact O-CB 3.05Å; T79-V112 WeakPolarHBondContact O-CG2 2.98Å; D82-V112 HydrophobicContact CB-CG2 4.19Å; S83-V112 PolarHBondContact OG-N 2.63Å; V110-V112 HydrophobicContact CG1-CG2 4.37Å
113	S	93.6	Very high	87.2	Confident	51 Å²	51	58.9 Å²	58.9	36%	0.357	39%	0.39	S	S	.	.			trans	-142.4	149.4	-178.5	65.2	0	0	0	0	111.8	L3 V4	L3-S113 WeakPolarHBondContact CD1-OG 3.39Å; V4-S113 PolarHBondContact O-N 2.92Å
114	S	85.1	Confident	88.6	Confident	150 Å²	150	57.2 Å²	57.2	100%	1.049	38%	0.383	S	S	*	.			trans	-74.8	0	176.1	58.6	0	0	0	0	112.7

Retrieved 114 of 114 residues in 23.8 ms (Link to these results)

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