X5J4P1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4P1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 aa.

						>X5J4P1_MOUSE|X5J4P1
AELAKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGYINPSSGYTKYNQKFKDKATLTADKSSSTAYMQLSSLTYEDSAVYYCARGGYYFDYWGQGTTLTVSS
					

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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	81.3	Confident	94.8	Very high	115 Å²	115	73.9 Å²	73.9	95%	0.95	45%	0.45	S	S	*	.				0	141.6	0	0	0	0	0	0	107.5	T103	A1-T103 CarbonylContact C-O 3.48Å; A1-T103 WeakPolarHBondContact CA-O 3.29Å
2	E	90.7	Very high	95	Very high	87 Å²	87	68.3 Å²	68.3	41%	0.407	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.9	-178.7	-156.9	105.1	163.8	0	0	110	V10 T103 L104 T105	E2-V10 HydrophobicContact CB-CG2 4.36Å; E2-V10 HydrophobicContact CG-CG2 3.6Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.46Å; E2-T103 PolarHBondContact N-O 3.12Å; E2-L104 HydrophobicContact CB-CD1 3.87Å; E2-L104 HydrophobicContact CG-CD1 4.29Å; E2-L104 WeakPolarHBondContact O-CA 3.34Å; E2-T105 PolarHBondContact O-N 2.66Å
3	L	94.7	Very high	95.2	Very high	127 Å²	127	68.8 Å²	68.8	67%	0.665	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	126.7	173.6	-176.1	66.2	0	0	0	108.7	T105 S107	L3-T105 WeakPolarHBondContact CA-O 3.32Å; L3-T105 HydrophobicContact CD1-CG2 4Å; L3-S107 WeakPolarHBondContact CD1-OG 3.42Å
4	A	96	Very high	95.3	Very high	13 Å²	13	64.9 Å²	64.9	11%	0.107	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.2	-179.1	0	0	0	0	0	111.4	L78 L104 T105 V106 S107	A4-L78 HydrophobicContact CB-CD1 3.48Å; A4-L78 VanDerWaalsContact CB-CD1 3.48Å; A4-L104 HydrophobicContact CB-CD1 4.15Å; A4-T105 PolarHBondContact N-O 2.9Å; A4-V106 VanDerWaalsContact O-CA 3.26Å; A4-V106 WeakPolarHBondContact O-CA 3.5Å; A4-S107 PolarHBondContact O-N 2.77Å
5	K	96.8	Very high	95.4	Very high	136 Å²	136	71 Å²	71	59%	0.591	42%	0.419	S	S	*	.			trans	-89.2	153.2	172.3	-69	-174.6	175.1	-174.2	0	110.8	G7 A8	K5-G7 PolarHBondContact O-N 3.24Å; K5-A8 WeakPolarHBondContact O-CB 3.33Å; K5-A8 PolarHBondContact O-N 3.27Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6	P	97.6	Very high	95.3	Very high	53 Å²	53	67.3 Å²	67.3	34%	0.344	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	139.7	168.9	-24.6	33.3	0	0	0	111.7	A8 L78 Y80 V106	P6-A8 PolarHBondContact O-N 3Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.3Å; P6-Y80 HydrophobicContact CG-CD1 4.44Å; P6-Y80 HydrophobicContact CG-CE1 3.75Å; P6-Y80 HydrophobicContact CG-CE2 4.15Å; P6-V106 HydrophobicContact CB-CG1 4.49Å; P6-V106 HydrophobicContact CG-CG1 4.06Å
7	G	96.6	Very high	95.1	Very high	53 Å²	53	69.2 Å²	69.2	55%	0.546	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	-15.7	-176.6	0	0	0	0	0	115.1	K5 L78	K5-G7 PolarHBondContact O-N 3.24Å; G7-L78 PolarHBondContact N-O 2.91Å
8	A	97.1	Very high	94.8	Very high	39 Å²	39	70.4 Å²	70.4	32%	0.322	45%	0.445	S	S	.	.			trans	-69.8	168.7	176.4	0	0	0	0	0	112.1	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.33Å; K5-A8 PolarHBondContact O-N 3.27Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 PolarHBondContact O-N 3Å; A8-S77 PolarHBondContact O-N 3.29Å; A8-L78 WeakPolarHBondContact O-CB 3.27Å; A8-L78 VanDerWaalsContact O-CG 3.31Å; A8-L78 WeakPolarHBondContact O-CG 3.14Å; A8-L78 PolarHBondContact O-N 2.81Å
9	S	97.1	Very high	94.6	Very high	68 Å²	68	69.5 Å²	69.5	48%	0.476	43%	0.433	S	S	.	.			trans	-116	145.6	168.6	-57.5	0	0	0	0	109.9	L75	S9-L75 CarbonylContact C-O 3.39Å; S9-L75 WeakPolarHBondContact CA-O 3.44Å; S9-L75 WeakPolarHBondContact CB-O 3.31Å
10	V	97.3	Very high	94.6	Very high	8 Å²	8	70.5 Å²	70.5	5%	0.048	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.9	176.6	64.7	0	0	0	0	109.9	E2 L12 Q74 L75 L78 L104	E2-V10 HydrophobicContact CB-CG2 4.36Å; E2-V10 HydrophobicContact CG-CG2 3.6Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.46Å; V10-L12 HydrophobicContact CG2-CD2 3.94Å; V10-Q74 CarbonylContact O-C 3.52Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.4Å; V10-L75 HydrophobicContact CG1-CB 3.96Å; V10-L75 HydrophobicContact CG1-CD1 4.23Å; V10-L75 PolarHBondContact N-O 3.11Å; V10-L75 PolarHBondContact O-N 2.79Å; V10-L78 HydrophobicContact CB-CD1 4.14Å; V10-L78 HydrophobicContact CG1-CD1 3.84Å; V10-L78 HydrophobicContact CG1-CD2 4.27Å; V10-L104 HydrophobicContact CG1-CD1 4.14Å; V10-L104 HydrophobicContact CG1-CD2 3.86Å; V10-L104 HydrophobicContact CG2-CD1 4.44Å
11	K	97.6	Very high	94.6	Very high	114 Å²	114	67.4 Å²	67.4	50%	0.496	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	108.4	174	-173.7	177.9	179.8	-178.8	0	109.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 HydrophobicContact CG-CD1 4.3Å
12	L	97.8	Very high	95.2	Very high	6 Å²	6	64.3 Å²	64.3	3%	0.031	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	144.6	174.6	-56.3	-177.8	0	0	0	109.9	V10 W28 Y72 M73 Y86 T102	V10-L12 HydrophobicContact CG2-CD2 3.94Å; L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 4.02Å; L12-Y72 CarbonylContact O-C 3.5Å; L12-Y72 WeakPolarHBondContact O-CA 3.49Å; L12-M73 HydrophobicContact CD1-CE 3.77Å; L12-M73 PolarHBondContact N-O 2.82Å; L12-M73 PolarHBondContact O-N 3.08Å; L12-Y86 HydrophobicContact CD1-CD1 4.4Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; L12-T102 HydrophobicContact CD2-CG2 4.08Å
13	S	97.4	Very high	95.3	Very high	75 Å²	75	63.9 Å²	63.9	52%	0.524	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.6	179.6	65.9	0	0	0	0	111.6	A71 Y72	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.38Å; S13-Y72 VanDerWaalsContact CB-CE1 3.49Å
14	C	96.9	Very high	95.3	Very high	15 Å²	15	61.9 Å²	61.9	10%	0.101	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	104.6	174.2	178.8	0	0	0	0	108.8	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; C14-T70 WeakPolarHBondContact O-CA 3.49Å; C14-A71 PolarHBondContact N-O 3.03Å; C14-A71 PolarHBondContact O-N 2.93Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 2.97Å; C14-C88 WeakPolarHBondContact SG-CB 3.27Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.39Å
15	K	96.3	Very high	95.3	Very high	156 Å²	156	64.7 Å²	64.7	68%	0.678	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.2	-179.6	-175.3	170.7	-176.2	178.5	0	110.1	T70	K15-T70 HydrophobicContact CB-CG2 4.44Å
16	A	93.7	Very high	95.3	Very high	12 Å²	12	58.4 Å²	58.4	10%	0.099	36%	0.36	C	S	.	.			trans	-77.8	145.3	174.3	0	0	0	0	0	111.2	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.84Å; A16-Y19 HydrophobicContact CB-CE2 4.08Å; A16-Y19 VanDerWaalsContact CB-CZ 3.45Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.49Å; A16-F21 HydrophobicContact CB-CB 4.06Å; A16-F21 HydrophobicContact CB-CD2 3.47Å; A16-F21 VanDerWaalsContact CB-CD2 3.47Å; A16-F21 HydrophobicContact CB-CE2 4.24Å; A16-F21 HydrophobicContact CB-CG 4.05Å; A16-S69 WeakPolarHBondContact CB-O 3.43Å; A16-S69 PolarHBondContact N-O 3.12Å
17	S	91.7	Very high	95.3	Very high	100 Å²	100	56.4 Å²	56.4	70%	0.699	35%	0.346	S	S	*	.			trans	-145.2	144.4	174.5	59.5	0	0	0	0	110.3	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.44Å; S17-Y19 PolarHBondContact O-N 3.24Å
18	G	90.8	Very high	95.3	Very high	90 Å²	90	54.1 Å²	54.1	93%	0.928	32%	0.321	S	S	*	.	S	Bend	trans	76.9	12.7	174.8	0	0	0	0	0	116.1
19	Y	90.1	Very high	95.4	Very high	54 Å²	54	52.4 Å²	52.4	21%	0.212	31%	0.306	C	S	.	.	S	Bend	trans	-156.8	165	173.5	64.8	-84.6	0	0	0	112	A16 S17 F21 Y24 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.84Å; A16-Y19 HydrophobicContact CB-CE2 4.08Å; A16-Y19 VanDerWaalsContact CB-CZ 3.45Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.49Å; S17-Y19 WeakPolarHBondContact O-CD1 3.44Å; S17-Y19 PolarHBondContact O-N 3.24Å; Y19-F21 PolarHBondContact O-N 3.43Å; Y19-F21 VanDerWaalsContact O-N 3.11Å; Y19-Y24 AromaticContact CD2-CD2 3.69Å; Y19-Y24 HydrophobicContact CD2-CD2 3.69Å; Y19-Y24 HydrophobicContact CD2-CE2 4.05Å; Y19-Y24 HydrophobicContact CE2-CD2 4.03Å; Y19-M26 WeakPolarHBondContact OH-CE 3.41Å; Y19-R90 VanDerWaalsContact CD1-NH1 3.28Å; Y19-R90 HydrophobicContact CE2-CG 4.06Å; Y19-R90 VanDerWaalsContact CZ-CD 3.42Å
20	T	93.9	Very high	95.4	Very high	89 Å²	89	49.2 Å²	49.2	55%	0.546	28%	0.284	S	S	.	.			trans	-70.3	103.8	172.2	-57.9	0	0	0	0	110	T22 S23	T20-T22 WeakPolarHBondContact CG2-OG1 3.31Å; T20-T22 PolarHBondContact O-N 2.92Å; T20-T22 VanDerWaalsContact O-N 3.12Å; T20-S23 WeakPolarHBondContact CB-OG 3.38Å; T20-S23 WeakPolarHBondContact CG2-OG 3.44Å; T20-S23 WeakPolarHBondContact O-CB 3.47Å; T20-S23 PolarHBondContact O-N 2.91Å
21	F	94.4	Very high	95.4	Very high	6 Å²	6	52 Å²	52	3%	0.026	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-53.5	-35.4	-174.1	175.4	-124.9	0	0	0	114.1	A16 Y19 S23 M26 P45 A64 A71	A16-F21 HydrophobicContact CB-CB 4.06Å; A16-F21 HydrophobicContact CB-CD2 3.47Å; A16-F21 VanDerWaalsContact CB-CD2 3.47Å; A16-F21 HydrophobicContact CB-CE2 4.24Å; A16-F21 HydrophobicContact CB-CG 4.05Å; Y19-F21 PolarHBondContact O-N 3.43Å; Y19-F21 VanDerWaalsContact O-N 3.11Å; F21-S23 VanDerWaalsContact C-N 3.29Å; F21-S23 PolarHBondContact O-N 3Å; F21-M26 HydrophobicContact CE2-CE 4.04Å; F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.34Å; F21-P45 HydrophobicContact CD2-CG 4.26Å; F21-P45 HydrophobicContact CE1-CB 3.49Å; F21-P45 VanDerWaalsContact CE1-CB 3.49Å; F21-P45 HydrophobicContact CE1-CG 3.93Å; F21-P45 HydrophobicContact CE2-CB 4.3Å; F21-P45 HydrophobicContact CE2-CG 3.82Å; F21-P45 HydrophobicContact CG-CB 4.41Å; F21-P45 HydrophobicContact CZ-CB 3.74Å; F21-P45 HydrophobicContact CZ-CG 3.64Å; F21-A64 HydrophobicContact CE1-CB 4.14Å; F21-A64 HydrophobicContact CZ-CB 4.14Å; F21-A71 HydrophobicContact CE2-CB 4.26Å; F21-A71 HydrophobicContact CZ-CB 3.94Å
22	T	95.3	Very high	95.3	Very high	49 Å²	49	49.1 Å²	49.1	30%	0.301	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-77.5	-8.8	-178.6	52	0	0	0	0	114.5	T20 Y24 P45 K66	T20-T22 WeakPolarHBondContact CG2-OG1 3.31Å; T20-T22 PolarHBondContact O-N 2.92Å; T20-T22 VanDerWaalsContact O-N 3.12Å; T22-Y24 VanDerWaalsContact C-N 3.33Å; T22-P45 HydrophobicContact CG2-CB 4.47Å; T22-K66 HydrophobicContact CG2-CD 4.43Å; T22-K66 HydrophobicContact CG2-CG 4.14Å
23	S	93.3	Very high	94.9	Very high	79 Å²	79	54.5 Å²	54.5	55%	0.552	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-81.6	-10	-179.3	-60.6	0	0	0	0	114	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.38Å; T20-S23 WeakPolarHBondContact CG2-OG 3.44Å; T20-S23 WeakPolarHBondContact O-CB 3.47Å; T20-S23 PolarHBondContact O-N 2.91Å; F21-S23 VanDerWaalsContact C-N 3.29Å; F21-S23 PolarHBondContact O-N 3Å
24	Y	92.9	Very high	94.7	Very high	85 Å²	85	55.4 Å²	55.4	33%	0.333	34%	0.338	S	S	.	.	S	Bend	trans	-133.2	156.7	-174.1	-63.5	-87.7	0	0	0	111.3	Y19 T22 P45 R90	Y19-Y24 AromaticContact CD2-CD2 3.69Å; Y19-Y24 HydrophobicContact CD2-CD2 3.69Å; Y19-Y24 HydrophobicContact CD2-CE2 4.05Å; Y19-Y24 HydrophobicContact CE2-CD2 4.03Å; T22-Y24 VanDerWaalsContact C-N 3.33Å; Y24-P45 WeakPolarHBondContact O-CD 3.26Å; Y24-R90 VanDerWaalsContact CB-CG 3.48Å; Y24-R90 HydrophobicContact CD1-CG 3.99Å; Y24-R90 HydrophobicContact CD2-CG 4.19Å; Y24-R90 HydrophobicContact CG-CG 3.62Å
25	W	95.9	Very high	94.5	Very high	71 Å²	71	59.3 Å²	59.3	27%	0.269	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	145.6	167.7	-53.8	-22.5	0	0	0	109.8	H27 Y42 G91 G92	W25-H27 AromaticContact CE3-NE2 3.91Å; W25-Y42 HydrophobicContact CB-CD2 3.97Å; W25-Y42 HydrophobicContact CB-CG 4.32Å; W25-Y42 HydrophobicContact CD2-CD2 4.17Å; W25-Y42 AromaticContact CD2-CE2 3.94Å; W25-Y42 HydrophobicContact CD2-CE2 3.94Å; W25-Y42 HydrophobicContact CE3-CD1 4.4Å; W25-Y42 HydrophobicContact CE3-CD2 4.4Å; W25-Y42 HydrophobicContact CE3-CE1 4.2Å; W25-Y42 HydrophobicContact CE3-CE2 4.17Å; W25-Y42 AromaticContact CG-CD2 3.99Å; W25-Y42 HydrophobicContact CG-CD2 3.99Å; W25-Y42 HydrophobicContact CG-CE2 4.14Å; W25-Y42 HydrophobicContact CZ3-CE1 4.4Å; W25-G91 WeakPolarHBondContact CB-O 3.3Å; W25-G91 PolarHBondContact N-O 3.35Å; W25-G91 PolarHBondContact O-N 3.32Å; W25-G91 VanDerWaalsContact O-N 3.11Å; W25-G92 WeakPolarHBondContact CZ3-O 3.33Å
26	M	97.3	Very high	94.4	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.02	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.4	171.8	-172.3	60.1	67.4	0	0	109.1	Y19 F21 Y42 I43 A71 C88 A89	Y19-M26 WeakPolarHBondContact OH-CE 3.41Å; F21-M26 HydrophobicContact CE2-CE 4.04Å; M26-Y42 CarbonylContact O-C 3.59Å; M26-Y42 WeakPolarHBondContact O-CA 3.11Å; M26-Y42 WeakPolarHBondContact O-CB 3.19Å; M26-I43 HydrophobicContact CB-CG2 4.09Å; M26-I43 PolarHBondContact N-O 2.79Å; M26-I43 PolarHBondContact O-N 3.02Å; M26-A71 HydrophobicContact CB-CB 3.98Å; M26-A71 HydrophobicContact CG-CB 3.54Å; M26-C88 HydrophobicContact CG-CB 4.44Å; M26-C88 HydrophobicContact SD-CB 3.76Å; M26-A89 VanDerWaalsContact SD-O 3.41Å
27	H	97.5	Very high	94.5	Very high	12 Å²	12	58.6 Å²	58.6	6%	0.056	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	150.3	179.5	-62.5	-113.4	0	0	0	110.6	W25 W39 G41 Y42 C88 A89 F95	W25-H27 AromaticContact CE3-NE2 3.91Å; H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 2.81Å; H27-G41 CarbonylContact C-O 3.53Å; H27-G41 WeakPolarHBondContact CA-O 3.47Å; H27-Y42 AromaticContact CE1-CD1 3.64Å; H27-Y42 AromaticContact CE1-CG 3.93Å; H27-Y42 WeakPolarHBondContact ND1-CB 3.34Å; H27-Y42 AromaticContact ND1-CD1 3.91Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.25Å; H27-A89 HydrophobicContact CB-CB 4.46Å; H27-A89 PolarHBondContact N-O 3.44Å; H27-A89 PolarHBondContact O-N 2.85Å; H27-F95 HydrophobicContact CB-CD1 4.24Å; H27-F95 HydrophobicContact CB-CE1 3.53Å; H27-F95 HydrophobicContact CB-CZ 4.43Å; H27-F95 AromaticContact CD2-CE1 3.98Å; H27-F95 AromaticContact CG-CE1 3.44Å; H27-F95 VanDerWaalsContact CG-CE1 3.44Å; H27-F95 AromaticContact ND1-CE1 3.51Å
28	W	97.9	Very high	94.7	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.019	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.5	174.5	-69.7	90.2	0	0	0	110.2	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 4.02Å; C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.2Å; W28-I40 PolarHBondContact O-N 3.11Å; W28-G41 PolarHBondContact N-O 2.92Å; W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; W28-A71 HydrophobicContact CZ2-CB 4.35Å; W28-M73 HydrophobicContact CB-SD 3.83Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.23Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.04Å; W28-M73 HydrophobicContact CE3-CB 3.92Å; W28-M73 HydrophobicContact CE3-CE 3.67Å; W28-M73 HydrophobicContact CE3-SD 4.1Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 3.95Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.16Å; W28-M73 HydrophobicContact CZ3-CE 4.19Å; W28-Y87 WeakPolarHBondContact CA-O 3.45Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29	V	97.7	Very high	95	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136	-173.4	-177.2	0	0	0	0	109.3	L37 E38 Y86 Y87 F95 W98	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-E38 WeakPolarHBondContact CG1-O 3.35Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 2.96Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 3.39Å; V29-F95 HydrophobicContact CG2-CZ 4.48Å; V29-W98 HydrophobicContact CB-CH2 4.09Å; V29-W98 HydrophobicContact CB-CZ3 3.79Å; V29-W98 HydrophobicContact CG1-CH2 4.05Å; V29-W98 HydrophobicContact CG1-CZ3 4Å; V29-W98 HydrophobicContact CG2-CH2 3.7Å; V29-W98 HydrophobicContact CG2-CZ3 3.78Å
30	K	97.6	Very high	95.4	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.9	175.1	-177.2	179.3	-177.6	176.1	0	109.5	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.39Å; K30-E38 PolarHBondContact O-N 3.11Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.16Å; K30-E81 WeakPolarHBondContact CE-O 3.39Å; K30-E81 PolarHBondContact NZ-O 2.85Å; K30-D82 IonicContact NZ-OD1 3.43Å; K30-D82 PolarHBondContact NZ-OD1 3.43Å; K30-A84 HydrophobicContact CD-CB 4.26Å; K30-A84 HydrophobicContact CG-CB 3.6Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 WeakPolarHBondContact CE-OH 3.42Å; K30-Y86 HydrophobicContact CG-CD1 4.32Å; K30-Y86 HydrophobicContact CG-CE1 3.79Å
31	Q	97.6	Very high	95.5	Very high	66 Å²	66	47.7 Å²	47.7	31%	0.308	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.8	170.1	-167.5	-178.7	25.3	0	0	110.2	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.87Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.17Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 2.97Å; Q31-V85 PolarHBondContact N-O 3.19Å; Q31-V85 PolarHBondContact O-N 3.48Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.82Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å
32	R	95.1	Very high	95.7	Very high	53 Å²	53	48.7 Å²	48.7	20%	0.2	28%	0.28	C	S	.	.			trans	-86.1	150.2	170.4	-66.6	-174.8	-177.9	139.3	-9.9	110.4	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.86Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 3.37Å; R32-E38 IonicContact NH1-OE2 3.39Å; R32-E81 PolarHBondContact NE-O 2.85Å; R32-E81 PolarHBondContact NH2-O 2.99Å; R32-E81 IonicContact NH2-OE2 3.92Å; R32-E81 PolarHBondContact NH2-OE2 3.05Å; R32-A84 HydrophobicContact CG-CB 4.17Å
33	P	90.7	Very high	95.8	Very high	120 Å²	120	46.6 Å²	46.6	78%	0.779	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	127	173.3	-25.4	34.6	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.88Å
34	G	91.8	Very high	96	Very high	93 Å²	93	44.4 Å²	44.4	96%	0.959	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	4.9	-179.5	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.86Å
35	Q	93.2	Very high	96.1	Very high	98 Å²	98	40.5 Å²	40.5	46%	0.458	23%	0.234	S	C	.	.	S	Bend	trans	-113.4	160.8	176.4	-58.5	-169.3	-4.6	0	0	111.8	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 3.37Å; P33-Q35 PolarHBondContact O-N 2.88Å
36	G	93.8	Very high	96.2	Very high	55 Å²	55	40.1 Å²	40.1	57%	0.567	24%	0.242	S	C	*	.			trans	-68.2	174.6	173.5	0	0	0	0	0	113.2
37	L	95.5	Very high	96.1	Very high	97 Å²	97	43.7 Å²	43.7	51%	0.508	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.1	175.3	-64.7	175.1	0	0	0	110.7	V29 Q31 W98	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; Q31-L37 HydrophobicContact CB-CD2 3.87Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W98 HydrophobicContact CD1-CH2 3.9Å; L37-W98 HydrophobicContact CD1-CZ2 4.44Å; L37-W98 HydrophobicContact CD1-CZ3 4.47Å
38	E	96.8	Very high	96.1	Very high	36 Å²	36	45.2 Å²	45.2	17%	0.168	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	112.2	174.6	-65.5	-169.8	94.8	0	0	110.1	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-E38 WeakPolarHBondContact CG1-O 3.35Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.39Å; K30-E38 PolarHBondContact O-N 3.11Å; R32-E38 IonicContact NH1-OE2 3.39Å; E38-I40 PolarHBondContact O-N 3.01Å; E38-K55 IonicContact OE1-NZ 3.39Å; E38-K55 PolarHBondContact OE1-NZ 2.84Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.27Å
39	W	96.4	Very high	96	Very high	68 Å²	68	51.2 Å²	51.2	26%	0.258	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	124.7	175.3	-179.3	68.9	0	0	0	110.8	H27 G41 Y42 K51 N53	H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 2.81Å; W39-G41 PolarHBondContact NE1-O 2.82Å; W39-Y42 HydrophobicContact CH2-CD1 4.27Å; W39-Y42 AromaticContact CZ2-CD1 3.57Å; W39-Y42 HydrophobicContact CZ2-CD1 3.57Å; W39-Y42 HydrophobicContact CZ2-CE1 4.33Å; W39-Y42 HydrophobicContact CZ2-CG 4.36Å; W39-K51 HydrophobicContact CH2-CB 4.41Å; W39-K51 HydrophobicContact CH2-CD 4.29Å; W39-K51 HydrophobicContact CH2-CG 4.11Å; W39-N53 HydrophobicContact CE3-CB 3.94Å; W39-N53 HydrophobicContact CZ3-CB 4.1Å; W39-N53 WeakPolarHBondContact O-CB 3.37Å; W39-N53 PolarHBondContact O-ND2 3.42Å
40	I	97.9	Very high	96.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-48.5	-178.4	-61.3	175.5	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.2Å; W28-I40 PolarHBondContact O-N 3.11Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; E38-I40 PolarHBondContact O-N 3.01Å; I40-N53 PolarHBondContact O-N 3.3Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.21Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.23Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.22Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.34Å; I40-F56 HydrophobicContact CG2-CD2 4.38Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; I40-A60 HydrophobicContact CG2-CB 3.8Å; I40-M73 HydrophobicContact CD1-CE 3.93Å; I40-M73 HydrophobicContact CD1-SD 3.57Å; I40-M73 VanDerWaalsContact CD1-SD 3.57Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.81Å
41	G	97.3	Very high	96	Very high	0 Å²	0	58 Å²	58	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	178.9	-170.7	0	0	0	0	0	112.5	H27 W28 W39 K51	H27-G41 CarbonylContact C-O 3.53Å; H27-G41 WeakPolarHBondContact CA-O 3.47Å; W28-G41 PolarHBondContact N-O 2.92Å; W39-G41 PolarHBondContact NE1-O 2.82Å; G41-K51 CarbonylContact C-O 3.53Å; G41-K51 WeakPolarHBondContact CA-O 3.5Å
42	Y	97.4	Very high	96.1	Very high	27 Å²	27	57.5 Å²	57.5	11%	0.106	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.3	166.9	73	-107.8	0	0	0	111.5	W25 M26 H27 W39 Y49 T50 K51	W25-Y42 HydrophobicContact CB-CD2 3.97Å; W25-Y42 HydrophobicContact CB-CG 4.32Å; W25-Y42 HydrophobicContact CD2-CD2 4.17Å; W25-Y42 AromaticContact CD2-CE2 3.94Å; W25-Y42 HydrophobicContact CD2-CE2 3.94Å; W25-Y42 HydrophobicContact CE3-CD1 4.4Å; W25-Y42 HydrophobicContact CE3-CD2 4.4Å; W25-Y42 HydrophobicContact CE3-CE1 4.2Å; W25-Y42 HydrophobicContact CE3-CE2 4.17Å; W25-Y42 AromaticContact CG-CD2 3.99Å; W25-Y42 HydrophobicContact CG-CD2 3.99Å; W25-Y42 HydrophobicContact CG-CE2 4.14Å; W25-Y42 HydrophobicContact CZ3-CE1 4.4Å; M26-Y42 CarbonylContact O-C 3.59Å; M26-Y42 WeakPolarHBondContact O-CA 3.11Å; M26-Y42 WeakPolarHBondContact O-CB 3.19Å; H27-Y42 AromaticContact CE1-CD1 3.64Å; H27-Y42 AromaticContact CE1-CG 3.93Å; H27-Y42 WeakPolarHBondContact ND1-CB 3.34Å; H27-Y42 AromaticContact ND1-CD1 3.91Å; W39-Y42 HydrophobicContact CH2-CD1 4.27Å; W39-Y42 AromaticContact CZ2-CD1 3.57Å; W39-Y42 HydrophobicContact CZ2-CD1 3.57Å; W39-Y42 HydrophobicContact CZ2-CE1 4.33Å; W39-Y42 HydrophobicContact CZ2-CG 4.36Å; Y42-Y49 HydrophobicContact CE2-CD1 4.03Å; Y42-Y49 HydrophobicContact CE2-CE1 4.16Å; Y42-T50 VanDerWaalsContact O-CA 3.3Å; Y42-T50 WeakPolarHBondContact O-CA 3.39Å; Y42-K51 HydrophobicContact CD1-CB 4.15Å; Y42-K51 HydrophobicContact CE1-CB 3.66Å; Y42-K51 HydrophobicContact CE1-CD 3.81Å; Y42-K51 HydrophobicContact CE1-CG 4.32Å; Y42-K51 HydrophobicContact CE2-CB 4.3Å; Y42-K51 PolarHBondContact N-O 3.09Å; Y42-K51 PolarHBondContact O-N 2.69Å
43	I	97.9	Very high	96.1	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136	166.6	-174.4	164.5	0	0	0	109.6	M26 P45 Y49 T50 L62 A64	M26-I43 HydrophobicContact CB-CG2 4.09Å; M26-I43 PolarHBondContact N-O 2.79Å; M26-I43 PolarHBondContact O-N 3.02Å; I43-P45 VanDerWaalsContact O-CD 3.3Å; I43-P45 WeakPolarHBondContact O-CD 3.21Å; I43-Y49 CarbonylContact C-O 3.59Å; I43-Y49 WeakPolarHBondContact CA-O 3.26Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.9Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; I43-L62 HydrophobicContact CB-CB 4.17Å; I43-A64 HydrophobicContact CD1-CB 3.84Å; I43-A64 HydrophobicContact CG1-CB 4.45Å; I43-A64 HydrophobicContact CG2-CB 4.48Å
44	N	97.1	Very high	96.4	Very high	34 Å²	34	58.1 Å²	58.1	18%	0.182	34%	0.335	C	S	.	.			trans	-84.3	108.9	164.1	-179.6	-21.4	0	0	0	108.1	S46 S47 G48 Y49	N44-S46 PolarHBondContact O-N 2.89Å; N44-S46 VanDerWaalsContact OD1-CB 3.25Å; N44-S46 WeakPolarHBondContact OD1-CB 3.09Å; N44-S46 PolarHBondContact OD1-N 3.48Å; N44-S47 PolarHBondContact ND2-OG 2.79Å; N44-S47 PolarHBondContact O-N 2.86Å; N44-S47 PolarHBondContact OD1-N 3.2Å; N44-G48 WeakPolarHBondContact O-CA 3.47Å; N44-G48 PolarHBondContact O-N 2.68Å; N44-Y49 PolarHBondContact N-O 3.4Å
45	P	96.8	Very high	96.5	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.019	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.2	-176.9	-19.4	33.9	0	0	0	113.3	F21 T22 Y24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.34Å; F21-P45 HydrophobicContact CD2-CG 4.26Å; F21-P45 HydrophobicContact CE1-CB 3.49Å; F21-P45 VanDerWaalsContact CE1-CB 3.49Å; F21-P45 HydrophobicContact CE1-CG 3.93Å; F21-P45 HydrophobicContact CE2-CB 4.3Å; F21-P45 HydrophobicContact CE2-CG 3.82Å; F21-P45 HydrophobicContact CG-CB 4.41Å; F21-P45 HydrophobicContact CZ-CB 3.74Å; F21-P45 HydrophobicContact CZ-CG 3.64Å; T22-P45 HydrophobicContact CG2-CB 4.47Å; Y24-P45 WeakPolarHBondContact O-CD 3.26Å; I43-P45 VanDerWaalsContact O-CD 3.3Å; I43-P45 WeakPolarHBondContact O-CD 3.21Å; P45-A64 HydrophobicContact CB-CB 4.04Å; P45-K66 WeakPolarHBondContact O-CE 3.42Å
46	S	96.2	Very high	96.7	Very high	62 Å²	62	56.8 Å²	56.8	43%	0.434	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-50.7	177.1	-173.6	0	0	0	0	112	N44 K66	N44-S46 PolarHBondContact O-N 2.89Å; N44-S46 VanDerWaalsContact OD1-CB 3.25Å; N44-S46 WeakPolarHBondContact OD1-CB 3.09Å; N44-S46 PolarHBondContact OD1-N 3.48Å; S46-K66 VanDerWaalsContact O-CE 3.31Å; S46-K66 WeakPolarHBondContact O-CE 3.16Å; S46-K66 PolarHBondContact O-NZ 3.05Å
47	S	96.6	Very high	96.7	Very high	80 Å²	80	59.6 Å²	59.6	56%	0.559	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-15.4	-175.3	62	0	0	0	0	114.6	N44 Y49	N44-S47 PolarHBondContact ND2-OG 2.79Å; N44-S47 PolarHBondContact O-N 2.86Å; N44-S47 PolarHBondContact OD1-N 3.2Å; S47-Y49 PolarHBondContact O-N 2.93Å; S47-Y49 WeakPolarHBondContact OG-CB 3.4Å; S47-Y49 PolarHBondContact OG-N 3.21Å
48	G	96.5	Very high	96.7	Very high	44 Å²	44	62.2 Å²	62.2	45%	0.454	31%	0.313	S	S	.	.			trans	74.5	1.3	-169.7	0	0	0	0	0	113.9	N44 T50	N44-G48 WeakPolarHBondContact O-CA 3.47Å; N44-G48 PolarHBondContact O-N 2.68Å; G48-T50 PolarHBondContact O-N 2.93Å
49	Y	97.3	Very high	96.7	Very high	131 Å²	131	62.3 Å²	62.3	51%	0.514	31%	0.313	S	S	.	.			trans	-60.7	133.2	177.1	177.2	-95.5	0	0	0	110.8	Y42 I43 N44 S47 K51	Y42-Y49 HydrophobicContact CE2-CD1 4.03Å; Y42-Y49 HydrophobicContact CE2-CE1 4.16Å; I43-Y49 CarbonylContact C-O 3.59Å; I43-Y49 WeakPolarHBondContact CA-O 3.26Å; N44-Y49 PolarHBondContact N-O 3.4Å; S47-Y49 PolarHBondContact O-N 2.93Å; S47-Y49 WeakPolarHBondContact OG-CB 3.4Å; S47-Y49 PolarHBondContact OG-N 3.21Å; Y49-K51 HydrophobicContact CE1-CB 4.16Å
50	T	97.8	Very high	96.7	Very high	43 Å²	43	59.2 Å²	59.2	26%	0.264	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.2	178.6	52.4	0	0	0	0	111.1	Y42 I43 G48 Y52 L62	Y42-T50 VanDerWaalsContact O-CA 3.3Å; Y42-T50 WeakPolarHBondContact O-CA 3.39Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.9Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; G48-T50 PolarHBondContact O-N 2.93Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.35Å; T50-L62 HydrophobicContact CG2-CB 3.96Å
51	K	97.2	Very high	96.8	Very high	104 Å²	104	62.4 Å²	62.4	45%	0.452	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.3	169.5	-170.5	179.7	179.4	177	0	108.6	W39 G41 Y42 Y49	W39-K51 HydrophobicContact CH2-CB 4.41Å; W39-K51 HydrophobicContact CH2-CD 4.29Å; W39-K51 HydrophobicContact CH2-CG 4.11Å; G41-K51 CarbonylContact C-O 3.53Å; G41-K51 WeakPolarHBondContact CA-O 3.5Å; Y42-K51 HydrophobicContact CD1-CB 4.15Å; Y42-K51 HydrophobicContact CE1-CB 3.66Å; Y42-K51 HydrophobicContact CE1-CD 3.81Å; Y42-K51 HydrophobicContact CE1-CG 4.32Å; Y42-K51 HydrophobicContact CE2-CB 4.3Å; Y42-K51 PolarHBondContact N-O 3.09Å; Y42-K51 PolarHBondContact O-N 2.69Å; Y49-K51 HydrophobicContact CE1-CB 4.16Å
52	Y	98	Very high	96.8	Very high	55 Å²	55	62.8 Å²	62.8	22%	0.216	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.3	-178.1	-63.1	-89.6	0	0	0	110.8	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.35Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.9Å
53	N	96.9	Very high	96.9	Very high	50 Å²	50	64.4 Å²	64.4	27%	0.267	34%	0.336	S	S	.	.			trans	-71.5	135.5	154.1	179.2	-19.4	0	0	0	108.4	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.94Å; W39-N53 HydrophobicContact CZ3-CB 4.1Å; W39-N53 WeakPolarHBondContact O-CB 3.37Å; W39-N53 PolarHBondContact O-ND2 3.42Å; I40-N53 PolarHBondContact O-N 3.3Å; N53-K55 PolarHBondContact O-N 3.08Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.83Å; N53-F56 HydrophobicContact CB-CD2 4.09Å; N53-F56 PolarHBondContact O-N 3.1Å; N53-K57 PolarHBondContact O-N 3.49Å
54	Q	96.2	Very high	96.9	Very high	136 Å²	136	65.8 Å²	65.8	64%	0.636	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-54.7	-32.8	-175.2	-169.8	59.9	29.6	0	0	112.8	F56 K57	Q54-F56 PolarHBondContact O-N 2.89Å; Q54-K57 PolarHBondContact O-N 2.84Å
55	K	94.3	Very high	96.9	Very high	150 Å²	150	66.8 Å²	66.8	65%	0.652	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-59.5	-27.2	176.5	-70.8	-178	175.1	-176.8	0	114.3	E38 N53	E38-K55 IonicContact OE1-NZ 3.39Å; E38-K55 PolarHBondContact OE1-NZ 2.84Å; N53-K55 PolarHBondContact O-N 3.08Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.83Å
56	F	96.3	Very high	96.8	Very high	12 Å²	12	72.4 Å²	72.4	5%	0.053	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-114.5	-1.5	-172.2	-61	-82.6	0	0	0	113.5	K30 E38 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.16Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.27Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.21Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.23Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.22Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.34Å; I40-F56 HydrophobicContact CG2-CD2 4.38Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; N53-F56 HydrophobicContact CB-CD2 4.09Å; N53-F56 PolarHBondContact O-N 3.1Å; Q54-F56 PolarHBondContact O-N 2.89Å; F56-D58 VanDerWaalsContact C-N 3.27Å; F56-D58 PolarHBondContact O-N 2.83Å; F56-K59 PolarHBondContact O-N 2.77Å; F56-A60 HydrophobicContact CB-CB 4.41Å; F56-A60 PolarHBondContact O-N 2.84Å
57	K	94.7	Very high	96.8	Very high	114 Å²	114	74.6 Å²	74.6	50%	0.496	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-38.3	-172.8	-171.5	179	179.5	-175.7	0	113.2	N53 Q54	N53-K57 PolarHBondContact O-N 3.49Å; Q54-K57 PolarHBondContact O-N 2.84Å
58	D	95.1	Very high	96.8	Very high	153 Å²	153	72.6 Å²	72.6	82%	0.818	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.2	-180	-53.2	-40.4	0	0	0	112.7	F56	F56-D58 VanDerWaalsContact C-N 3.27Å; F56-D58 PolarHBondContact O-N 2.83Å
59	K	96.3	Very high	96.8	Very high	38 Å²	38	72.3 Å²	72.3	17%	0.165	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-38.9	-174.1	-170.6	71.8	177.4	-163.5	0	112.7	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.77Å; K59-L75 HydrophobicContact CG-CD2 4.3Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; K59-S76 WeakPolarHBondContact CD-O 3.44Å; K59-S76 WeakPolarHBondContact CE-O 3.31Å; K59-S76 PolarHBondContact NZ-O 3.27Å; K59-S76 VanDerWaalsContact NZ-O 3.09Å; K59-S76 PolarHBondContact O-N 2.8Å; K59-S77 PolarHBondContact NZ-O 2.94Å; K59-D82 WeakPolarHBondContact CE-OD2 3.25Å; K59-D82 IonicContact NZ-OD2 2.68Å; K59-D82 PolarHBondContact NZ-OD2 2.86Å
60	A	98	Very high	96.8	Very high	2 Å²	2	66.5 Å²	66.5	2%	0.017	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.8	-171.4	0	0	0	0	0	111.2	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.8Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; F56-A60 HydrophobicContact CB-CB 4.41Å; F56-A60 PolarHBondContact O-N 2.84Å; A60-M73 HydrophobicContact CB-CG 4.3Å; A60-M73 HydrophobicContact CB-SD 4.35Å; A60-Q74 CarbonylContact C-O 3.4Å; A60-Q74 VanDerWaalsContact CA-O 3.31Å; A60-Q74 WeakPolarHBondContact CA-O 3.17Å; A60-L75 HydrophobicContact CB-CD2 3.99Å
61	T	98.4	Very high	96.8	Very high	67 Å²	67	64.4 Å²	64.4	41%	0.411	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.6	169.7	-58.5	0	0	0	0	109	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.38Å; T61-M73 WeakPolarHBondContact O-CA 3.4Å; T61-Q74 PolarHBondContact N-O 2.03Å; T61-Q74 PolarHBondContact O-N 2.87Å
62	L	98.6	Very high	96.9	Very high	8 Å²	8	61.9 Å²	61.9	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.4	178.6	-52.4	-175.7	0	0	0	110.7	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; I43-L62 HydrophobicContact CB-CB 4.17Å; T50-L62 HydrophobicContact CG2-CB 3.96Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.9Å; L62-Y72 WeakPolarHBondContact CA-O 3.37Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.13Å
63	T	98.3	Very high	96.9	Very high	61 Å²	61	59.2 Å²	59.2	37%	0.374	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.9	175.7	56.1	0	0	0	0	110.6	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.38Å; T63-Y72 PolarHBondContact N-O 3Å; T63-Y72 PolarHBondContact O-N 2.97Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.2Å
64	A	97.9	Very high	97	Very high	35 Å²	35	60.7 Å²	60.7	29%	0.289	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	137.4	177.4	0	0	0	0	0	110.2	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.14Å; F21-A64 HydrophobicContact CZ-CB 4.14Å; I43-A64 HydrophobicContact CD1-CB 3.84Å; I43-A64 HydrophobicContact CG1-CB 4.45Å; I43-A64 HydrophobicContact CG2-CB 4.48Å; P45-A64 HydrophobicContact CB-CB 4.04Å
65	D	97.4	Very high	97.1	Very high	55 Å²	55	54.2 Å²	54.2	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.4	171.6	175.3	8.7	0	0	0	109	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.19Å; D65-S67 PolarHBondContact OD1-N 2.88Å; D65-S67 PolarHBondContact OD1-OG 2.92Å; D65-S67 PolarHBondContact OD2-OG 3.27Å; D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 WeakPolarHBondContact OD2-CB 2.98Å; D65-S68 PolarHBondContact OD2-OG 2.95Å; D65-S69 WeakPolarHBondContact O-CA 2.98Å; D65-S69 PolarHBondContact O-N 3.28Å; D65-T70 PolarHBondContact N-O 2.87Å; D65-T70 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 3.98Å
66	K	95.6	Very high	97.2	Very high	120 Å²	120	48.6 Å²	48.6	52%	0.522	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.9	-179.4	-63.9	174.4	178.2	175	0	111.8	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CD 4.43Å; T22-K66 HydrophobicContact CG2-CG 4.14Å; P45-K66 WeakPolarHBondContact O-CE 3.42Å; S46-K66 VanDerWaalsContact O-CE 3.31Å; S46-K66 WeakPolarHBondContact O-CE 3.16Å; S46-K66 PolarHBondContact O-NZ 3.05Å; K66-S69 PolarHBondContact O-N 3.33Å
67	S	95	Very high	97.2	Very high	108 Å²	108	51.9 Å²	51.9	76%	0.755	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-42.6	-175.1	70.8	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.19Å; D65-S67 PolarHBondContact OD1-N 2.88Å; D65-S67 PolarHBondContact OD1-OG 2.92Å; D65-S67 PolarHBondContact OD2-OG 3.27Å
68	S	96.7	Very high	97.3	Very high	38 Å²	38	46.5 Å²	46.5	27%	0.266	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.8	176.5	64.8	0	0	0	0	113.8	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 WeakPolarHBondContact OD2-CB 2.98Å; D65-S68 PolarHBondContact OD2-OG 2.95Å; S68-T70 PolarHBondContact O-N 3.29Å; S68-T70 PolarHBondContact O-OG1 3.23Å; S68-T70 WeakPolarHBondContact OG-CB 3.42Å; S68-T70 PolarHBondContact OG-OG1 2.88Å
69	S	96.8	Very high	97.4	Very high	39 Å²	39	42.1 Å²	42.1	27%	0.273	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	42.8	-174.5	-66.1	0	0	0	0	112.7	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.43Å; A16-S69 PolarHBondContact N-O 3.12Å; D65-S69 WeakPolarHBondContact O-CA 2.98Å; D65-S69 PolarHBondContact O-N 3.28Å; K66-S69 PolarHBondContact O-N 3.33Å
70	T	97.9	Very high	97.4	Very high	8 Å²	8	47 Å²	47	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.8	-172.6	-57.8	0	0	0	0	110.9	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.49Å; K15-T70 HydrophobicContact CB-CG2 4.44Å; D65-T70 PolarHBondContact N-O 2.87Å; D65-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-N 3.29Å; S68-T70 PolarHBondContact O-OG1 3.23Å; S68-T70 WeakPolarHBondContact OG-CB 3.42Å; S68-T70 PolarHBondContact OG-OG1 2.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.22Å; T70-Y72 HydrophobicContact CG2-CD2 4.39Å; T70-Y72 HydrophobicContact CG2-CE1 3.6Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.44Å
71	A	98	Very high	97.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	150.1	167.9	0	0	0	0	0	110.1	S13 C14 F21 M26 W28	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.38Å; C14-A71 PolarHBondContact N-O 3.03Å; C14-A71 PolarHBondContact O-N 2.93Å; F21-A71 HydrophobicContact CE2-CB 4.26Å; F21-A71 HydrophobicContact CZ-CB 3.94Å; M26-A71 HydrophobicContact CB-CB 3.98Å; M26-A71 HydrophobicContact CG-CB 3.54Å; W28-A71 HydrophobicContact CZ2-CB 4.35Å
72	Y	98.3	Very high	97.1	Very high	50 Å²	50	50.4 Å²	50.4	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.2	177.2	-54.4	-87.8	0	0	0	111	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 HydrophobicContact CG-CD1 4.3Å; L12-Y72 CarbonylContact O-C 3.5Å; L12-Y72 WeakPolarHBondContact O-CA 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.49Å; L62-Y72 WeakPolarHBondContact CA-O 3.37Å; T63-Y72 PolarHBondContact N-O 3Å; T63-Y72 PolarHBondContact O-N 2.97Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.2Å; D65-Y72 HydrophobicContact CB-CE2 3.98Å; T70-Y72 HydrophobicContact CG2-CD1 4.22Å; T70-Y72 HydrophobicContact CG2-CD2 4.39Å; T70-Y72 HydrophobicContact CG2-CE1 3.6Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.44Å
73	M	98.4	Very high	97.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.4	167.3	174.4	176.5	71.5	0	0	108.4	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.77Å; L12-M73 PolarHBondContact N-O 2.82Å; L12-M73 PolarHBondContact O-N 3.08Å; W28-M73 HydrophobicContact CB-SD 3.83Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.23Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.04Å; W28-M73 HydrophobicContact CE3-CB 3.92Å; W28-M73 HydrophobicContact CE3-CE 3.67Å; W28-M73 HydrophobicContact CE3-SD 4.1Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 3.95Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.16Å; W28-M73 HydrophobicContact CZ3-CE 4.19Å; I40-M73 HydrophobicContact CD1-CE 3.93Å; I40-M73 HydrophobicContact CD1-SD 3.57Å; I40-M73 VanDerWaalsContact CD1-SD 3.57Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; A60-M73 HydrophobicContact CB-CG 4.3Å; A60-M73 HydrophobicContact CB-SD 4.35Å; T61-M73 WeakPolarHBondContact O-CA 3.4Å; 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 4.09Å; M73-L75 HydrophobicContact CE-CD2 4.29Å; M73-L75 HydrophobicContact CE-CG 4.13Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.4Å; M73-L75 HydrophobicContact SD-CD2 4.17Å; M73-L75 HydrophobicContact SD-CG 4.5Å; M73-Y86 HydrophobicContact CE-CD1 3.47Å; M73-Y86 VanDerWaalsContact CE-CD1 3.47Å; M73-Y86 HydrophobicContact CE-CE1 4.01Å; M73-Y86 HydrophobicContact CE-CG 4.11Å
74	Q	98.3	Very high	97.1	Very high	80 Å²	80	49.1 Å²	49.1	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.2	169.6	-178.3	174.2	-11.3	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.52Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.4Å; A60-Q74 CarbonylContact C-O 3.4Å; A60-Q74 VanDerWaalsContact CA-O 3.31Å; A60-Q74 WeakPolarHBondContact CA-O 3.17Å; T61-Q74 PolarHBondContact N-O 2.03Å; T61-Q74 PolarHBondContact O-N 2.87Å
75	L	97.9	Very high	97.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.3	171	-65.4	168.9	0	0	0	108.6	S9 V10 K59 A60 M73 L78 Y86 L104	S9-L75 CarbonylContact C-O 3.39Å; S9-L75 WeakPolarHBondContact CA-O 3.44Å; S9-L75 WeakPolarHBondContact CB-O 3.31Å; V10-L75 HydrophobicContact CG1-CB 3.96Å; V10-L75 HydrophobicContact CG1-CD1 4.23Å; V10-L75 PolarHBondContact N-O 3.11Å; V10-L75 PolarHBondContact O-N 2.79Å; K59-L75 HydrophobicContact CG-CD2 4.3Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; A60-L75 HydrophobicContact CB-CD2 3.99Å; M73-L75 HydrophobicContact CE-CD1 4.09Å; M73-L75 HydrophobicContact CE-CD2 4.29Å; M73-L75 HydrophobicContact CE-CG 4.13Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.4Å; M73-L75 HydrophobicContact SD-CD2 4.17Å; M73-L75 HydrophobicContact SD-CG 4.5Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.09Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.49Å; L75-L104 HydrophobicContact CD1-CD2 3.95Å
76	S	97.2	Very high	97.1	Very high	32 Å²	32	46.5 Å²	46.5	22%	0.224	25%	0.254	C	S	.	.			trans	-105.9	155.3	-177.1	-57.6	0	0	0	0	112	K59 L78	K59-S76 WeakPolarHBondContact CD-O 3.44Å; K59-S76 WeakPolarHBondContact CE-O 3.31Å; K59-S76 PolarHBondContact NZ-O 3.27Å; K59-S76 VanDerWaalsContact NZ-O 3.09Å; K59-S76 PolarHBondContact O-N 2.8Å; S76-L78 PolarHBondContact O-N 3Å
77	S	96.6	Very high	97.2	Very high	81 Å²	81	43 Å²	43	57%	0.566	24%	0.238	S	C	*	.	S	Bend	trans	51	50.3	172.1	-52	0	0	0	0	113	A8 K59	A8-S77 PolarHBondContact O-N 3.29Å; K59-S77 PolarHBondContact NZ-O 2.94Å
78	L	97.3	Very high	97.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.207	C	C	.	.			trans	-55.2	141.1	-171.3	-71.7	172.4	0	0	0	112.9	A4 P6 G7 A8 V10 L75 S76 D82 L104 V106	A4-L78 HydrophobicContact CB-CD1 3.48Å; A4-L78 VanDerWaalsContact CB-CD1 3.48Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.3Å; G7-L78 PolarHBondContact N-O 2.91Å; A8-L78 WeakPolarHBondContact O-CB 3.27Å; A8-L78 VanDerWaalsContact O-CG 3.31Å; A8-L78 WeakPolarHBondContact O-CG 3.14Å; A8-L78 PolarHBondContact O-N 2.81Å; V10-L78 HydrophobicContact CB-CD1 4.14Å; V10-L78 HydrophobicContact CG1-CD1 3.84Å; V10-L78 HydrophobicContact CG1-CD2 4.27Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; S76-L78 PolarHBondContact O-N 3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.42Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; L78-L104 HydrophobicContact CD1-CD2 4.38Å; L78-L104 HydrophobicContact CD2-CD2 3.89Å; L78-V106 HydrophobicContact CB-CG1 4.24Å; L78-V106 HydrophobicContact CB-CG2 4.08Å; L78-V106 HydrophobicContact CD1-CG2 4.24Å; L78-V106 HydrophobicContact CD2-CG2 4.45Å
79	T	96.8	Very high	97.3	Very high	61 Å²	61	36.9 Å²	36.9	37%	0.374	19%	0.194	S	C	.	.			trans	-119.3	167.5	171.9	66.5	0	0	0	0	110	E81 D82 V106	T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 2.88Å; T79-D82 WeakPolarHBondContact O-CB 3.18Å; T79-D82 PolarHBondContact O-N 3.02Å; T79-D82 PolarHBondContact OG1-OD2 2.9Å; T79-V106 WeakPolarHBondContact O-CB 3.44Å; T79-V106 WeakPolarHBondContact O-CG2 3.31Å
80	Y	96.3	Very high	97.1	Very high	141 Å²	141	37.5 Å²	37.5	55%	0.553	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-54.1	-32.4	175.7	-62.5	-69.7	0	0	0	112.6	P6 D82 S83 V106	P6-Y80 HydrophobicContact CG-CD1 4.44Å; P6-Y80 HydrophobicContact CG-CE1 3.75Å; P6-Y80 HydrophobicContact CG-CE2 4.15Å; Y80-D82 PolarHBondContact O-N 2.92Å; Y80-S83 VanDerWaalsContact O-CB 3.32Å; Y80-S83 WeakPolarHBondContact O-CB 3.41Å; Y80-S83 PolarHBondContact O-N 3.41Å; Y80-S83 VanDerWaalsContact O-N 3.08Å; Y80-S83 PolarHBondContact O-OG 2.81Å; Y80-V106 WeakPolarHBondContact CD1-O 2.83Å
81	E	94.1	Very high	96.6	Very high	131 Å²	131	37.1 Å²	37.1	61%	0.612	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-68.4	-12.4	177.7	-65.7	-166.4	-170.9	0	0	114.7	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.39Å; K30-E81 PolarHBondContact NZ-O 2.85Å; R32-E81 PolarHBondContact NE-O 2.85Å; R32-E81 PolarHBondContact NH2-O 2.99Å; R32-E81 IonicContact NH2-OE2 3.92Å; R32-E81 PolarHBondContact NH2-OE2 3.05Å; T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.27Å
82	D	96.3	Very high	95.8	Very high	9 Å²	9	38.5 Å²	38.5	5%	0.048	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-82	-5.9	172.4	-64.1	-47.7	0	0	0	112.7	K30 K59 L78 T79 Y80 A84 Y86 V106	K30-D82 IonicContact NZ-OD1 3.43Å; K30-D82 PolarHBondContact NZ-OD1 3.43Å; K59-D82 WeakPolarHBondContact CE-OD2 3.25Å; K59-D82 IonicContact NZ-OD2 2.68Å; K59-D82 PolarHBondContact NZ-OD2 2.86Å; L78-D82 WeakPolarHBondContact CA-OD2 3.42Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; T79-D82 PolarHBondContact N-OD2 2.88Å; T79-D82 WeakPolarHBondContact O-CB 3.18Å; T79-D82 PolarHBondContact O-N 3.02Å; T79-D82 PolarHBondContact OG1-OD2 2.9Å; Y80-D82 PolarHBondContact O-N 2.92Å; D82-A84 PolarHBondContact O-N 2.92Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.49Å; D82-Y86 PolarHBondContact O-OH 3.44Å; D82-V106 HydrophobicContact CB-CG2 4.17Å
83	S	97.6	Very high	94.4	Very high	35 Å²	35	46.5 Å²	46.5	25%	0.245	23%	0.234	C	C	.	.			trans	-64.6	113.2	171	-57.5	0	0	0	0	110.4	Y80 E81 L104 V106	Y80-S83 VanDerWaalsContact O-CB 3.32Å; Y80-S83 WeakPolarHBondContact O-CB 3.41Å; Y80-S83 PolarHBondContact O-N 3.41Å; Y80-S83 VanDerWaalsContact O-N 3.08Å; Y80-S83 PolarHBondContact O-OG 2.81Å; E81-S83 VanDerWaalsContact C-N 3.27Å; S83-L104 VanDerWaalsContact CA-O 3.27Å; S83-L104 WeakPolarHBondContact CA-O 3.38Å; S83-V106 PolarHBondContact OG-N 2.79Å
84	A	97.8	Very high	93.4	Very high	6 Å²	6	55.6 Å²	55.6	5%	0.05	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	170.8	-172.1	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86 L104	K30-A84 HydrophobicContact CD-CB 4.26Å; K30-A84 HydrophobicContact CG-CB 3.6Å; Q31-A84 WeakPolarHBondContact O-CA 3.17Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 2.97Å; R32-A84 HydrophobicContact CG-CB 4.17Å; D82-A84 PolarHBondContact O-N 2.92Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; A84-L104 PolarHBondContact N-O 3.26Å; A84-L104 PolarHBondContact O-N 3Å
85	V	98.1	Very high	92.7	Very high	34 Å²	34	55.9 Å²	55.9	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.2	161	-169.8	0	0	0	0	108.5	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.19Å; Q31-V85 PolarHBondContact O-N 3.48Å; V85-Y87 HydrophobicContact CB-CE2 3.76Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.54Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.5Å
86	Y	98.3	Very high	92	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.1	177.6	-71	-90.5	0	0	0	109.9	L12 V29 K30 I40 M73 L75 D82 A84 G101 T102 L104	L12-Y86 HydrophobicContact CD1-CD1 4.4Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 2.96Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 WeakPolarHBondContact CE-OH 3.42Å; K30-Y86 HydrophobicContact CG-CD1 4.32Å; K30-Y86 HydrophobicContact CG-CE1 3.79Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.81Å; M73-Y86 HydrophobicContact CE-CD1 3.47Å; M73-Y86 VanDerWaalsContact CE-CD1 3.47Å; M73-Y86 HydrophobicContact CE-CE1 4.01Å; M73-Y86 HydrophobicContact CE-CG 4.11Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.09Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.49Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.49Å; D82-Y86 PolarHBondContact O-OH 3.44Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; Y86-G101 CarbonylContact O-C 3.55Å; Y86-G101 VanDerWaalsContact O-CA 3.26Å; Y86-G101 WeakPolarHBondContact O-CA 3.42Å; Y86-T102 PolarHBondContact N-O 3.01Å; Y86-T102 PolarHBondContact O-N 3.25Å; Y86-L104 HydrophobicContact CD2-CB 3.86Å; Y86-L104 HydrophobicContact CD2-CD2 4.37Å; Y86-L104 HydrophobicContact CE2-CB 3.77Å; Y86-L104 HydrophobicContact CE2-CD2 3.7Å; Y86-L104 HydrophobicContact CE2-CG 4.32Å
87	Y	97.8	Very high	91.6	Very high	47 Å²	47	64.8 Å²	64.8	18%	0.184	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.4	-179.9	-59.5	-87.5	0	0	0	110.3	W28 V29 Q31 V85 W98 G99 G101	W28-Y87 WeakPolarHBondContact CA-O 3.45Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 3.39Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.82Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å; V85-Y87 HydrophobicContact CB-CE2 3.76Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.54Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.5Å; Y87-W98 HydrophobicContact CG-CE3 4.15Å; Y87-W98 HydrophobicContact CG-CZ3 4.32Å; Y87-G99 WeakPolarHBondContact CD1-O 3.38Å; Y87-G101 VanDerWaalsContact CD1-CA 3.4Å
88	C	96.7	Very high	91.6	Very high	15 Å²	15	64.7 Å²	64.7	10%	0.101	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	146.7	158.3	62.3	0	0	0	0	109.5	C14 M26 H27 W28 G99	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 2.97Å; C14-C88 WeakPolarHBondContact SG-CB 3.27Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.39Å; M26-C88 HydrophobicContact CG-CB 4.44Å; M26-C88 HydrophobicContact SD-CB 3.76Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.25Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G99 PolarHBondContact O-N 3.31Å
89	A	95.9	Very high	91.4	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.2	175.6	0	0	0	0	0	110.7	M26 H27 F95 Y97 W98	M26-A89 VanDerWaalsContact SD-O 3.41Å; H27-A89 HydrophobicContact CB-CB 4.46Å; H27-A89 PolarHBondContact N-O 3.44Å; H27-A89 PolarHBondContact O-N 2.85Å; A89-F95 HydrophobicContact CB-CB 4.39Å; A89-F95 HydrophobicContact CB-CD1 3.71Å; A89-F95 HydrophobicContact CB-CE1 4.28Å; A89-F95 HydrophobicContact CB-CG 4.2Å; A89-Y97 CarbonylContact C-O 3.53Å; A89-Y97 WeakPolarHBondContact CA-O 3.43Å; A89-W98 HydrophobicContact CB-CD2 3.77Å; A89-W98 HydrophobicContact CB-CE3 3.98Å; A89-W98 HydrophobicContact CB-CG 4.19Å; A89-W98 HydrophobicContact CB-CH2 4.49Å; A89-W98 HydrophobicContact CB-CZ2 4.3Å; A89-W98 HydrophobicContact CB-CZ3 4.34Å
90	R	93.4	Very high	91.3	Very high	53 Å²	53	71.1 Å²	71.1	20%	0.2	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.3	172.5	-175.5	-169.4	75.3	-167.3	-1.1	109	Y19 Y24 D96 Y97	Y19-R90 VanDerWaalsContact CD1-NH1 3.28Å; Y19-R90 HydrophobicContact CE2-CG 4.06Å; Y19-R90 VanDerWaalsContact CZ-CD 3.42Å; Y24-R90 VanDerWaalsContact CB-CG 3.48Å; Y24-R90 HydrophobicContact CD1-CG 3.99Å; Y24-R90 HydrophobicContact CD2-CG 4.19Å; Y24-R90 HydrophobicContact CG-CG 3.62Å; R90-D96 PolarHBondContact O-N 3.11Å; R90-Y97 PolarHBondContact N-O 3.44Å; R90-Y97 PolarHBondContact O-N 2.93Å
91	G	88.2	Confident	91.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	171.1	175.1	0	0	0	0	0	114.8	W25 Y94	W25-G91 WeakPolarHBondContact CB-O 3.3Å; W25-G91 PolarHBondContact N-O 3.35Å; W25-G91 PolarHBondContact O-N 3.32Å; W25-G91 VanDerWaalsContact O-N 3.11Å; G91-Y94 WeakPolarHBondContact CA-O 3.36Å
92	G	80.1	Confident	91.4	Very high	29 Å²	29	61.6 Å²	61.6	30%	0.299	30%	0.296	S	S	.	.	S	Bend	trans	-106.3	-103.8	162.6	0	0	0	0	0	109.5	W25 Y94	W25-G92 WeakPolarHBondContact CZ3-O 3.33Å; G92-Y94 PolarHBondContact N-O 3.41Å
93	Y	69.6	Low	91.5	Very high	218 Å²	218	64.1 Å²	64.1	86%	0.855	31%	0.312	S	S	*	.	S	Bend	trans	-75.6	-22.5	172.4	-65.8	-74.8	0	0	0	113.6
94	Y	77.9	Confident	91.5	Very high	191 Å²	191	62.5 Å²	62.5	75%	0.749	30%	0.301	S	S	*	.	S	Bend	trans	-127.2	159.8	177.1	-57.8	-77.1	0	0	0	110.5	G91 G92	G91-Y94 WeakPolarHBondContact CA-O 3.36Å; G92-Y94 PolarHBondContact N-O 3.41Å
95	F	83.2	Confident	91.5	Very high	86 Å²	86	65.1 Å²	65.1	38%	0.377	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.2	174.9	-58.3	-56.8	0	0	0	110.6	H27 V29 A89 W98	H27-F95 HydrophobicContact CB-CD1 4.24Å; H27-F95 HydrophobicContact CB-CE1 3.53Å; H27-F95 HydrophobicContact CB-CZ 4.43Å; H27-F95 AromaticContact CD2-CE1 3.98Å; H27-F95 AromaticContact CG-CE1 3.44Å; H27-F95 VanDerWaalsContact CG-CE1 3.44Å; H27-F95 AromaticContact ND1-CE1 3.51Å; V29-F95 HydrophobicContact CG2-CZ 4.48Å; A89-F95 HydrophobicContact CB-CB 4.39Å; A89-F95 HydrophobicContact CB-CD1 3.71Å; A89-F95 HydrophobicContact CB-CE1 4.28Å; A89-F95 HydrophobicContact CB-CG 4.2Å; F95-W98 HydrophobicContact CB-CZ2 4.07Å; F95-W98 HydrophobicContact CD2-CH2 4.24Å; F95-W98 AromaticContact CD2-CZ2 3.43Å; F95-W98 HydrophobicContact CD2-CZ2 3.43Å; F95-W98 VanDerWaalsContact CD2-CZ2 3.43Å; F95-W98 HydrophobicContact CE2-CH2 4.3Å; F95-W98 AromaticContact CE2-CZ2 3.93Å; F95-W98 HydrophobicContact CE2-CZ2 3.93Å; F95-W98 AromaticContact CG-CZ2 3.76Å; F95-W98 HydrophobicContact CG-CZ2 3.76Å
96	D	82.7	Confident	91.4	Very high	89 Å²	89	63.7 Å²	63.7	48%	0.476	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-35.6	-177.5	-54.7	-35.4	0	0	0	112.1	R90	R90-D96 PolarHBondContact O-N 3.11Å
97	Y	90	Very high	91.3	Very high	130 Å²	130	65.9 Å²	65.9	51%	0.51	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	142.4	-175.5	-176.3	-95.5	0	0	0	111.3	A89 R90	A89-Y97 CarbonylContact C-O 3.53Å; A89-Y97 WeakPolarHBondContact CA-O 3.43Å; R90-Y97 PolarHBondContact N-O 3.44Å; R90-Y97 PolarHBondContact O-N 2.93Å
98	W	94.6	Very high	90.9	Very high	79 Å²	79	69.9 Å²	69.9	30%	0.299	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.8	-179.5	-69.1	75.1	0	0	0	110.9	V29 L37 Y87 A89 F95	V29-W98 HydrophobicContact CB-CH2 4.09Å; V29-W98 HydrophobicContact CB-CZ3 3.79Å; V29-W98 HydrophobicContact CG1-CH2 4.05Å; V29-W98 HydrophobicContact CG1-CZ3 4Å; V29-W98 HydrophobicContact CG2-CH2 3.7Å; V29-W98 HydrophobicContact CG2-CZ3 3.78Å; L37-W98 HydrophobicContact CD1-CH2 3.9Å; L37-W98 HydrophobicContact CD1-CZ2 4.44Å; L37-W98 HydrophobicContact CD1-CZ3 4.47Å; Y87-W98 HydrophobicContact CG-CE3 4.15Å; Y87-W98 HydrophobicContact CG-CZ3 4.32Å; A89-W98 HydrophobicContact CB-CD2 3.77Å; A89-W98 HydrophobicContact CB-CE3 3.98Å; A89-W98 HydrophobicContact CB-CG 4.19Å; A89-W98 HydrophobicContact CB-CH2 4.49Å; A89-W98 HydrophobicContact CB-CZ2 4.3Å; A89-W98 HydrophobicContact CB-CZ3 4.34Å; F95-W98 HydrophobicContact CB-CZ2 4.07Å; F95-W98 HydrophobicContact CD2-CH2 4.24Å; F95-W98 AromaticContact CD2-CZ2 3.43Å; F95-W98 HydrophobicContact CD2-CZ2 3.43Å; F95-W98 VanDerWaalsContact CD2-CZ2 3.43Å; F95-W98 HydrophobicContact CE2-CH2 4.3Å; F95-W98 AromaticContact CE2-CZ2 3.93Å; F95-W98 HydrophobicContact CE2-CZ2 3.93Å; F95-W98 AromaticContact CG-CZ2 3.76Å; F95-W98 HydrophobicContact CG-CZ2 3.76Å
99	G	94.4	Very high	90.6	Very high	21 Å²	21	72.7 Å²	72.7	22%	0.216	37%	0.371	C	S	.	.			trans	-67.1	163.1	166	0	0	0	0	0	111.4	Y87 C88 G101	Y87-G99 WeakPolarHBondContact CD1-O 3.38Å; C88-G99 PolarHBondContact O-N 3.31Å; G99-G101 PolarHBondContact O-N 3.07Å; G99-G101 VanDerWaalsContact O-N 3.1Å
100	Q	94.5	Very high	90.3	Very high	176 Å²	176	76.4 Å²	76.4	82%	0.822	39%	0.39	S	S	*	.			trans	-63.4	-17.4	-179.9	-64.4	-63.4	-44.7	0	0	113.6
101	G	95.9	Very high	90.2	Very high	28 Å²	28	77.7 Å²	77.7	29%	0.289	40%	0.4	S	S	.	.			trans	85.4	152.5	-177.1	0	0	0	0	0	112.7	Y86 Y87 G99	Y86-G101 CarbonylContact O-C 3.55Å; Y86-G101 VanDerWaalsContact O-CA 3.26Å; Y86-G101 WeakPolarHBondContact O-CA 3.42Å; Y87-G101 VanDerWaalsContact CD1-CA 3.4Å; G99-G101 PolarHBondContact O-N 3.07Å; G99-G101 VanDerWaalsContact O-N 3.1Å
102	T	97.3	Very high	90.3	Very high	44 Å²	44	82.3 Å²	82.3	27%	0.27	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117	175.9	-60.7	0	0	0	0	108.8	L12 Y86 L104	L12-T102 HydrophobicContact CD2-CG2 4.08Å; Y86-T102 PolarHBondContact N-O 3.01Å; Y86-T102 PolarHBondContact O-N 3.25Å; T102-L104 PolarHBondContact O-N 2.59Å
103	T	97.8	Very high	90.9	Very high	63 Å²	63	85.6 Å²	85.6	39%	0.387	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	122.5	169.8	-49.9	0	0	0	0	109.3	A1 E2	A1-T103 CarbonylContact C-O 3.48Å; A1-T103 WeakPolarHBondContact CA-O 3.29Å; E2-T103 PolarHBondContact N-O 3.12Å
104	L	97.6	Very high	92.3	Very high	1 Å²	1	76.8 Å²	76.8	1%	0.005	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.1	166.3	173.5	64.6	0	0	0	107.9	E2 A4 V10 L75 L78 S83 A84 Y86 T102 V106	E2-L104 HydrophobicContact CB-CD1 3.87Å; E2-L104 HydrophobicContact CG-CD1 4.29Å; E2-L104 WeakPolarHBondContact O-CA 3.34Å; A4-L104 HydrophobicContact CB-CD1 4.15Å; V10-L104 HydrophobicContact CG1-CD1 4.14Å; V10-L104 HydrophobicContact CG1-CD2 3.86Å; V10-L104 HydrophobicContact CG2-CD1 4.44Å; L75-L104 HydrophobicContact CD1-CD2 3.95Å; L78-L104 HydrophobicContact CD1-CD2 4.38Å; L78-L104 HydrophobicContact CD2-CD2 3.89Å; S83-L104 VanDerWaalsContact CA-O 3.27Å; S83-L104 WeakPolarHBondContact CA-O 3.38Å; A84-L104 PolarHBondContact N-O 3.26Å; A84-L104 PolarHBondContact O-N 3Å; Y86-L104 HydrophobicContact CD2-CB 3.86Å; Y86-L104 HydrophobicContact CD2-CD2 4.37Å; Y86-L104 HydrophobicContact CE2-CB 3.77Å; Y86-L104 HydrophobicContact CE2-CD2 3.7Å; Y86-L104 HydrophobicContact CE2-CG 4.32Å; T102-L104 PolarHBondContact O-N 2.59Å; L104-V106 HydrophobicContact CD2-CG2 4.45Å; L104-V106 HydrophobicContact CG-CG2 4.27Å
105	T	97.6	Very high	93.4	Very high	61 Å²	61	68.6 Å²	68.6	37%	0.374	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126	173	-58.8	0	0	0	0	108.8	E2 L3 A4	E2-T105 PolarHBondContact O-N 2.66Å; L3-T105 WeakPolarHBondContact CA-O 3.32Å; L3-T105 HydrophobicContact CD1-CG2 4Å; A4-T105 PolarHBondContact N-O 2.9Å
106	V	97.1	Very high	94.1	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.024	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	112	175.4	-173.7	0	0	0	0	108.5	A4 P6 L78 T79 Y80 D82 S83 L104	A4-V106 VanDerWaalsContact O-CA 3.26Å; A4-V106 WeakPolarHBondContact O-CA 3.5Å; P6-V106 HydrophobicContact CB-CG1 4.49Å; P6-V106 HydrophobicContact CG-CG1 4.06Å; L78-V106 HydrophobicContact CB-CG1 4.24Å; L78-V106 HydrophobicContact CB-CG2 4.08Å; L78-V106 HydrophobicContact CD1-CG2 4.24Å; L78-V106 HydrophobicContact CD2-CG2 4.45Å; T79-V106 WeakPolarHBondContact O-CB 3.44Å; T79-V106 WeakPolarHBondContact O-CG2 3.31Å; Y80-V106 WeakPolarHBondContact CD1-O 2.83Å; D82-V106 HydrophobicContact CB-CG2 4.17Å; S83-V106 PolarHBondContact OG-N 2.79Å; L104-V106 HydrophobicContact CD2-CG2 4.45Å; L104-V106 HydrophobicContact CG-CG2 4.27Å
107	S	95	Very high	95.1	Very high	48 Å²	48	65.5 Å²	65.5	34%	0.336	37%	0.371	S	S	.	.			trans	-147.1	156.8	-178.8	64.4	0	0	0	0	111.6	L3 A4	L3-S107 WeakPolarHBondContact CD1-OG 3.42Å; A4-S107 PolarHBondContact O-N 2.77Å
108	S	89.4	Confident	95.6	Very high	131 Å²	131	59.6 Å²	59.6	92%	0.916	36%	0.358	S	S	*	.			trans	-78.3	0	178.2	57.7	0	0	0	0	112.9

Retrieved 108 of 108 residues in 42.9 ms (Link to these results)

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