X5J4N5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4N5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

						>X5J4N5_MOUSE|X5J4N5
GDLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGSYTYYPDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARHEYSNYFDYWGQGPTLTVS
					

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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	G	62	Low	85.5	Confident	91 Å²	91	76.8 Å²	76.8	94%	0.938	48%	0.478	S	S	*	.				0	143.2	0	0	0	0	0	0	107.8	T105	G1-T105 CarbonylContact C-O 3.54Å; G1-T105 WeakPolarHBondContact CA-O 3.42Å
2	D	74.1	Confident	86.2	Confident	75 Å²	75	70.7 Å²	70.7	40%	0.401	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.9	179.6	-66.2	-28	0	0	0	109.1	L10 T105 L106 T107	D2-L10 HydrophobicContact CB-CD2 3.95Å; D2-T105 PolarHBondContact N-O 3.12Å; D2-L106 HydrophobicContact CB-CD1 4.24Å; D2-L106 WeakPolarHBondContact O-CD1 3.16Å; D2-T107 PolarHBondContact O-N 3.49Å
3	L	80.1	Confident	86.8	Confident	125 Å²	125	70.8 Å²	70.8	65%	0.654	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.5	175.5	-167.3	79.3	0	0	0	108.6	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.29Å; L3-T107 HydrophobicContact CD1-CG2 3.8Å; L3-S109 VanDerWaalsContact CD1-OG 3.31Å; L3-S109 WeakPolarHBondContact CD1-OG 3.38Å
4	V	85.3	Confident	87.3	Confident	19 Å²	19	66.7 Å²	66.7	12%	0.115	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.6	-178.3	-170.6	0	0	0	0	110	L10 L78 L106 T107 V108 S109	V4-L10 HydrophobicContact CG2-CB 4.28Å; V4-L10 HydrophobicContact CG2-CD2 4.11Å; V4-L78 HydrophobicContact CB-CD1 4.06Å; V4-L78 HydrophobicContact CG1-CD1 3.75Å; V4-L78 HydrophobicContact CG2-CD1 4.36Å; V4-L106 HydrophobicContact CG2-CD1 3.78Å; V4-T107 PolarHBondContact N-O 3.01Å; V4-V108 VanDerWaalsContact O-CA 3.24Å; V4-V108 WeakPolarHBondContact O-CA 3.26Å; V4-S109 PolarHBondContact O-N 2.95Å; V4-S109 VanDerWaalsContact O-N 3.11Å
5	K	86.1	Confident	87.6	Confident	167 Å²	167	67 Å²	67	73%	0.726	43%	0.431	S	S	*	.			trans	-70.4	147.4	175	-63.4	-175.1	-179.7	-178	0	110.7	G7 G8	K5-G7 PolarHBondContact O-N 3.49Å; K5-G8 WeakPolarHBondContact O-CA 3.3Å; K5-G8 PolarHBondContact O-N 3.38Å
6	P	88.7	Confident	87.7	Confident	77 Å²	77	63.6 Å²	63.6	50%	0.5	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	139	169.1	-26.4	33.3	0	0	0	111.9	G8 V108 S109	P6-G8 PolarHBondContact O-N 3.32Å; P6-V108 HydrophobicContact CB-CG1 4.45Å; P6-V108 HydrophobicContact CG-CG1 4.14Å; P6-S109 VanDerWaalsContact CD-C 3.5Å
7	G	89.4	Confident	87.8	Confident	53 Å²	53	65.5 Å²	65.5	55%	0.546	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-9.2	-172.8	0	0	0	0	0	114.6	K5 L78	K5-G7 PolarHBondContact O-N 3.49Å; G7-L78 PolarHBondContact N-O 3.4Å
8	G	91.8	Very high	87.8	Confident	21 Å²	21	66.7 Å²	66.7	22%	0.216	45%	0.452	C	S	.	.			trans	-68	175.7	176.8	0	0	0	0	0	113.7	K5 P6 S77 L78	K5-G8 WeakPolarHBondContact O-CA 3.3Å; K5-G8 PolarHBondContact O-N 3.38Å; P6-G8 PolarHBondContact O-N 3.32Å; G8-S77 PolarHBondContact O-N 3.31Å; G8-L78 PolarHBondContact O-N 2.81Å; G8-L78 VanDerWaalsContact O-N 3.08Å
9	S	93.9	Very high	87.7	Confident	72 Å²	72	65 Å²	65	50%	0.503	44%	0.436	S	S	.	.			trans	-129.3	146.2	176.4	-60.4	0	0	0	0	110.6	M75 S76	S9-M75 CarbonylContact C-O 3.36Å; S9-M75 WeakPolarHBondContact CA-O 3.38Å; S9-M75 WeakPolarHBondContact CB-O 3.45Å; S9-S76 WeakPolarHBondContact OG-CA 3.45Å
10	L	93.8	Very high	87.8	Confident	32 Å²	32	66.1 Å²	66.1	17%	0.168	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152	177	-177.1	63.5	0	0	0	109.7	D2 V4 L12 Q74 M75 L78 L106	D2-L10 HydrophobicContact CB-CD2 3.95Å; V4-L10 HydrophobicContact CG2-CB 4.28Å; V4-L10 HydrophobicContact CG2-CD2 4.11Å; L10-L12 HydrophobicContact CD2-CD2 3.59Å; L10-L12 HydrophobicContact CG-CD2 4.05Å; L10-Q74 PolarHBondContact O-NE2 2.84Å; L10-M75 PolarHBondContact N-O 3.41Å; L10-M75 PolarHBondContact O-N 3.27Å; L10-L78 HydrophobicContact CB-CD1 4.14Å; L10-L106 HydrophobicContact CD2-CD1 3.33Å; L10-L106 HydrophobicContact CD2-CD2 4.22Å; L10-L106 HydrophobicContact CD2-CG 4.33Å
11	K	94.9	Very high	88	Confident	113 Å²	113	62.9 Å²	62.9	49%	0.491	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.5	171.1	-171.5	176.3	178.9	177.3	0	109.9	L73	K11-L73 CarbonylContact C-O 3.59Å; K11-L73 WeakPolarHBondContact CA-O 3.38Å
12	L	94.5	Very high	89.4	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.016	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	151.6	171.9	-55	-176	0	0	0	110.4	L10 W28 Y72 L73 M75 Y86 P104	L10-L12 HydrophobicContact CD2-CD2 3.59Å; L10-L12 HydrophobicContact CG-CD2 4.05Å; L12-W28 HydrophobicContact CB-CH2 3.82Å; L12-W28 HydrophobicContact CB-CZ2 4.06Å; L12-W28 HydrophobicContact CB-CZ3 4.37Å; L12-W28 HydrophobicContact CD1-CZ3 4.26Å; L12-Y72 VanDerWaalsContact O-CA 3.26Å; L12-Y72 WeakPolarHBondContact O-CA 3.41Å; L12-L73 HydrophobicContact CB-CB 4.25Å; L12-L73 HydrophobicContact CD1-CD2 4.48Å; L12-L73 PolarHBondContact N-O 2.47Å; L12-L73 PolarHBondContact O-N 2.84Å; L12-M75 HydrophobicContact CD1-SD 3.67Å; L12-M75 HydrophobicContact CG-SD 3.84Å; L12-Y86 HydrophobicContact CD1-CD1 3.96Å; L12-Y86 HydrophobicContact CD1-CD2 4.16Å; L12-Y86 HydrophobicContact CD1-CG 3.66Å; L12-P104 HydrophobicContact CD2-CG 3.87Å
13	S	94.6	Very high	90.2	Very high	72 Å²	72	60.9 Å²	60.9	50%	0.503	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.4	172.6	68.9	0	0	0	0	110.8	L71	S13-L71 CarbonylContact C-O 3.48Å; S13-L71 VanDerWaalsContact CA-O 3.28Å; S13-L71 WeakPolarHBondContact CA-O 3.31Å
14	C	92.9	Very high	90.7	Very high	14 Å²	14	57 Å²	57	10%	0.095	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	113.7	172.3	171.7	0	0	0	0	109.3	W28 T70 L71 C88 W100	C14-W28 HydrophobicContact CB-CH2 3.77Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; C14-L71 PolarHBondContact N-O 3.15Å; C14-L71 PolarHBondContact O-N 2.66Å; C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 VanDerWaalsContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.5Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.86Å; C14-W100 HydrophobicContact CB-CH2 4.27Å; C14-W100 WeakPolarHBondContact SG-CH2 3.39Å; C14-W100 WeakPolarHBondContact SG-CZ2 3.48Å
15	A	92.7	Very high	91.1	Very high	71 Å²	71	56.4 Å²	56.4	59%	0.587	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.7	177.7	0	0	0	0	0	110.3
16	A	89.1	Confident	91.4	Very high	13 Å²	13	48.4 Å²	48.4	11%	0.107	34%	0.336	C	S	.	.			trans	-87.8	142.8	178	0	0	0	0	0	111.5	F19 F21 N69 W100	A16-F19 HydrophobicContact CB-CE1 3.81Å; A16-F19 HydrophobicContact CB-CE2 4.33Å; A16-F19 HydrophobicContact CB-CZ 3.58Å; A16-F21 HydrophobicContact CB-CB 4.21Å; A16-F21 HydrophobicContact CB-CD2 3.48Å; A16-F21 VanDerWaalsContact CB-CD2 3.48Å; A16-F21 HydrophobicContact CB-CE2 4.22Å; A16-F21 HydrophobicContact CB-CG 4.2Å; A16-N69 HydrophobicContact CB-CB 4.29Å; A16-N69 WeakPolarHBondContact CB-O 3.37Å; A16-N69 PolarHBondContact N-O 3.44Å; A16-W100 HydrophobicContact CB-CH2 4.34Å; A16-W100 HydrophobicContact CB-CZ2 3.44Å; A16-W100 VanDerWaalsContact CB-CZ2 3.44Å
17	S	88.3	Confident	91.7	Very high	96 Å²	96	44.8 Å²	44.8	67%	0.671	31%	0.313	S	S	*	.			trans	-143.5	153.9	171.9	60.7	0	0	0	0	109.3	F19	S17-F19 WeakPolarHBondContact O-CD1 3.34Å
18	G	88	Confident	92	Very high	87 Å²	87	42.2 Å²	42.2	90%	0.897	29%	0.287	S	S	*	.	S	Bend	trans	82.8	6.2	176.8	0	0	0	0	0	116.3
19	F	85.9	Confident	92.1	Very high	34 Å²	34	42.1 Å²	42.1	15%	0.149	28%	0.282	C	S	.	.	S	Bend	trans	-158.4	165.2	173.2	64.4	-81.2	0	0	0	112.2	A16 S17 F21 Y24 M26 R90 W100	A16-F19 HydrophobicContact CB-CE1 3.81Å; A16-F19 HydrophobicContact CB-CE2 4.33Å; A16-F19 HydrophobicContact CB-CZ 3.58Å; S17-F19 WeakPolarHBondContact O-CD1 3.34Å; F19-F21 HydrophobicContact CE2-CB 4.37Å; F19-F21 HydrophobicContact CE2-CD2 4.34Å; F19-F21 HydrophobicContact CZ-CD2 4.45Å; F19-F21 PolarHBondContact O-N 3.01Å; F19-Y24 HydrophobicContact CB-CE2 4.37Å; F19-Y24 AromaticContact CD2-CD2 3.56Å; F19-Y24 HydrophobicContact CD2-CD2 3.56Å; F19-Y24 AromaticContact CD2-CE2 3.84Å; F19-Y24 HydrophobicContact CD2-CE2 3.84Å; F19-Y24 HydrophobicContact CD2-CG 4.36Å; F19-Y24 HydrophobicContact CE2-CD2 4.04Å; F19-Y24 HydrophobicContact CE2-CG 4.48Å; F19-M26 HydrophobicContact CE2-CE 4.28Å; F19-M26 HydrophobicContact CE2-SD 4.35Å; F19-M26 HydrophobicContact CZ-CE 4.02Å; F19-R90 VanDerWaalsContact CG-NH1 3.34Å; F19-W100 AromaticContact CE1-CD1 3.51Å; F19-W100 HydrophobicContact CE1-CD2 4.03Å; F19-W100 AromaticContact CE1-CE2 3.91Å; F19-W100 AromaticContact CE1-CG 3.79Å; F19-W100 HydrophobicContact CE1-CG 3.79Å; F19-W100 AromaticContact CE1-NE1 3.6Å; F19-W100 AromaticContact CZ-CD2 3.95Å; F19-W100 HydrophobicContact CZ-CD2 3.95Å; F19-W100 AromaticContact CZ-CE2 3.89Å; F19-W100 HydrophobicContact CZ-CE3 4.49Å; F19-W100 HydrophobicContact CZ-CG 4.15Å; F19-W100 HydrophobicContact CZ-CZ2 4.36Å
20	T	90.6	Very high	92.1	Very high	86 Å²	86	39.2 Å²	39.2	53%	0.528	26%	0.26	S	S	.	.			trans	-75.6	90.3	175.6	-51.9	0	0	0	0	110.4	S22 S23 Y24	T20-S22 WeakPolarHBondContact CG2-OG 3.4Å; T20-S22 PolarHBondContact O-N 2.82Å; T20-S22 VanDerWaalsContact O-N 3.1Å; T20-S23 VanDerWaalsContact CG2-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.38Å; T20-S23 WeakPolarHBondContact O-CB 3.27Å; T20-S23 PolarHBondContact O-N 3.05Å; T20-Y24 VanDerWaalsContact O-CD2 3.31Å; T20-Y24 WeakPolarHBondContact O-CD2 3.47Å
21	F	91.3	Very high	92.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-50.7	-37.5	-175.7	178.4	-100.2	0	0	0	114.3	A16 F19 S23 Y24 M26 R64 N66 N69 L71 W100	A16-F21 HydrophobicContact CB-CB 4.21Å; A16-F21 HydrophobicContact CB-CD2 3.48Å; A16-F21 VanDerWaalsContact CB-CD2 3.48Å; A16-F21 HydrophobicContact CB-CE2 4.22Å; A16-F21 HydrophobicContact CB-CG 4.2Å; F19-F21 HydrophobicContact CE2-CB 4.37Å; F19-F21 HydrophobicContact CE2-CD2 4.34Å; F19-F21 HydrophobicContact CZ-CD2 4.45Å; F19-F21 PolarHBondContact O-N 3.01Å; F21-S23 PolarHBondContact O-N 2.92Å; F21-Y24 PolarHBondContact O-N 2.8Å; F21-M26 HydrophobicContact CD2-CE 3.88Å; F21-M26 HydrophobicContact CD2-CG 4.27Å; F21-M26 HydrophobicContact CD2-SD 4.12Å; F21-M26 HydrophobicContact CE2-CE 3.66Å; F21-M26 HydrophobicContact CE2-CG 3.71Å; F21-M26 HydrophobicContact CE2-SD 4.05Å; F21-M26 HydrophobicContact CZ-CG 4Å; F21-R64 VanDerWaalsContact CD1-NH2 3.26Å; F21-R64 HydrophobicContact CE1-CB 4.06Å; F21-R64 VanDerWaalsContact CE1-NH2 3.27Å; F21-R64 HydrophobicContact CZ-CB 4.09Å; F21-R64 PolarHBondContact O-NH2 2.98Å; F21-N66 WeakPolarHBondContact CD1-OD1 2.92Å; F21-N66 WeakPolarHBondContact CE1-OD1 2.9Å; F21-N69 HydrophobicContact CB-CB 3.97Å; F21-N69 WeakPolarHBondContact CB-OD1 3.47Å; F21-N69 HydrophobicContact CG-CB 4.25Å; F21-L71 HydrophobicContact CE2-CB 4.29Å; F21-L71 HydrophobicContact CZ-CB 4.21Å; F21-W100 HydrophobicContact CE2-CH2 4.48Å
22	S	91.9	Very high	91.9	Very high	54 Å²	54	35.9 Å²	35.9	38%	0.378	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-66.5	-19.2	178.8	53.7	0	0	0	0	114.4	T20 S45	T20-S22 WeakPolarHBondContact CG2-OG 3.4Å; T20-S22 PolarHBondContact O-N 2.82Å; T20-S22 VanDerWaalsContact O-N 3.1Å; S22-S45 WeakPolarHBondContact O-CB 3.23Å
23	S	90.9	Very high	91.7	Very high	69 Å²	69	40.9 Å²	40.9	48%	0.483	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-81.2	-14.1	179.7	-58.4	0	0	0	0	113.6	T20 F21	T20-S23 VanDerWaalsContact CG2-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.38Å; T20-S23 WeakPolarHBondContact O-CB 3.27Å; T20-S23 PolarHBondContact O-N 3.05Å; F21-S23 PolarHBondContact O-N 2.92Å
24	Y	90.4	Very high	91.6	Very high	45 Å²	45	42.5 Å²	42.5	18%	0.176	28%	0.282	C	S	.	.	S	Bend	trans	-115.8	146.5	-171.2	-65.1	-92.2	0	0	0	112.9	F19 T20 F21 S45 R64 E92	F19-Y24 HydrophobicContact CB-CE2 4.37Å; F19-Y24 AromaticContact CD2-CD2 3.56Å; F19-Y24 HydrophobicContact CD2-CD2 3.56Å; F19-Y24 AromaticContact CD2-CE2 3.84Å; F19-Y24 HydrophobicContact CD2-CE2 3.84Å; F19-Y24 HydrophobicContact CD2-CG 4.36Å; F19-Y24 HydrophobicContact CE2-CD2 4.04Å; F19-Y24 HydrophobicContact CE2-CG 4.48Å; T20-Y24 VanDerWaalsContact O-CD2 3.31Å; T20-Y24 WeakPolarHBondContact O-CD2 3.47Å; F21-Y24 PolarHBondContact O-N 2.8Å; Y24-S45 VanDerWaalsContact O-CA 3.28Å; Y24-S45 WeakPolarHBondContact O-CA 3.47Å; Y24-R64 PolarHBondContact O-NH1 2.99Å; Y24-E92 HydrophobicContact CD1-CG 3.77Å; Y24-E92 HydrophobicContact CE1-CG 3.39Å; Y24-E92 WeakPolarHBondContact CE1-OE1 3.37Å; Y24-E92 PolarHBondContact OH-OE1 2.96Å
25	G	92.6	Very high	91.4	Very high	5 Å²	5	49.8 Å²	49.8	5%	0.052	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	144	160.1	0	0	0	0	0	109.6	I43 R90 H91	G25-I43 CarbonylContact C-O 3.48Å; G25-I43 WeakPolarHBondContact CA-O 3.37Å; G25-R90 CarbonylContact O-C 3.51Å; G25-R90 WeakPolarHBondContact O-CA 3.35Å; G25-H91 WeakPolarHBondContact CA-CE1 3.29Å; G25-H91 PolarHBondContact N-O 2.99Å; G25-H91 PolarHBondContact O-N 2.79Å; G25-H91 PolarHBondContact O-ND1 2.86Å
26	M	93.5	Very high	91.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.1	-171.1	-54.5	-53.2	-65.3	0	0	110.7	F19 F21 T42 I43 L71 R90 W100	F19-M26 HydrophobicContact CE2-CE 4.28Å; F19-M26 HydrophobicContact CE2-SD 4.35Å; F19-M26 HydrophobicContact CZ-CE 4.02Å; F21-M26 HydrophobicContact CD2-CE 3.88Å; F21-M26 HydrophobicContact CD2-CG 4.27Å; F21-M26 HydrophobicContact CD2-SD 4.12Å; F21-M26 HydrophobicContact CE2-CE 3.66Å; F21-M26 HydrophobicContact CE2-CG 3.71Å; F21-M26 HydrophobicContact CE2-SD 4.05Å; F21-M26 HydrophobicContact CZ-CG 4Å; M26-T42 CarbonylContact O-C 3.59Å; M26-T42 WeakPolarHBondContact O-CA 3.06Å; M26-I43 HydrophobicContact CB-CG2 3.94Å; M26-I43 PolarHBondContact N-O 2.73Å; M26-I43 PolarHBondContact O-N 2.8Å; M26-L71 HydrophobicContact CB-CD1 3.7Å; M26-L71 HydrophobicContact CB-CD2 3.98Å; M26-L71 HydrophobicContact CB-CG 4.4Å; M26-L71 HydrophobicContact CG-CD1 4.5Å; M26-R90 HydrophobicContact CE-CB 3.91Å; M26-R90 HydrophobicContact SD-CB 3.82Å; M26-W100 HydrophobicContact CE-CD2 4.3Å; M26-W100 HydrophobicContact CE-CE3 3.52Å; M26-W100 HydrophobicContact CE-CH2 3.3Å; M26-W100 HydrophobicContact CE-CZ2 4.13Å; M26-W100 HydrophobicContact CE-CZ3 2.95Å
27	S	94.7	Very high	91.4	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	146.3	-167.6	-63.2	0	0	0	0	112.4	W39 A41 T42 C88 A89 H91	S27-W39 WeakPolarHBondContact OG-CZ3 3.48Å; S27-A41 CarbonylContact C-O 3.57Å; S27-A41 VanDerWaalsContact CA-O 3.28Å; S27-A41 WeakPolarHBondContact CA-O 3.28Å; S27-T42 PolarHBondContact OG-OG1 2.77Å; S27-C88 WeakPolarHBondContact O-CA 3.26Å; S27-A89 PolarHBondContact N-O 3.29Å; S27-A89 PolarHBondContact O-N 3.36Å; S27-H91 PolarHBondContact OG-ND1 2.84Å
28	W	95.3	Very high	91.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.4	164.8	-75.7	97.1	0	0	0	109.7	L12 C14 V40 A41 L71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.82Å; L12-W28 HydrophobicContact CB-CZ2 4.06Å; L12-W28 HydrophobicContact CB-CZ3 4.37Å; L12-W28 HydrophobicContact CD1-CZ3 4.26Å; C14-W28 HydrophobicContact CB-CH2 3.77Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; W28-V40 HydrophobicContact CB-CB 4.03Å; W28-V40 HydrophobicContact CB-CG1 4.45Å; W28-V40 WeakPolarHBondContact O-CB 3.48Å; W28-V40 PolarHBondContact O-N 3.26Å; W28-A41 PolarHBondContact N-O 3.31Å; W28-A41 PolarHBondContact O-N 2.9Å; W28-L71 HydrophobicContact CD2-CD2 4.44Å; W28-L71 HydrophobicContact CG-CD2 4.32Å; W28-L71 VanDerWaalsContact NE1-CD2 3.32Å; W28-L73 HydrophobicContact CB-CD2 4.21Å; W28-L73 HydrophobicContact CD2-CB 4.14Å; W28-L73 HydrophobicContact CD2-CD2 4.27Å; W28-L73 HydrophobicContact CG-CB 4.15Å; W28-L73 HydrophobicContact CG-CD1 4.42Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.43Å; W28-L73 HydrophobicContact CZ2-CB 4.32Å; W28-Y87 WeakPolarHBondContact CA-O 3.11Å; W28-Y87 VanDerWaalsContact CE3-O 3.27Å; W28-C88 HydrophobicContact CZ3-CB 4.43Å
29	V	94.2	Very high	91.8	Very high	18 Å²	18	55.6 Å²	55.6	11%	0.109	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.4	173.8	-176.1	0	0	0	0	106.8	L37 E38 W39 Y86 Y87 A89	V29-L37 HydrophobicContact CG1-CB 4.43Å; V29-L37 HydrophobicContact CG1-CD2 4.09Å; V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.4Å; V29-E38 WeakPolarHBondContact CG1-O 3.44Å; V29-W39 HydrophobicContact CG2-CD2 4.34Å; V29-W39 HydrophobicContact CG2-CE3 4.38Å; V29-W39 HydrophobicContact CG2-CH2 4.24Å; V29-W39 HydrophobicContact CG2-CZ2 4.25Å; V29-W39 HydrophobicContact CG2-CZ3 4.39Å; V29-Y86 CarbonylContact O-C 3.42Å; V29-Y87 PolarHBondContact N-O 2.97Å; V29-Y87 WeakPolarHBondContact O-CA 3Å; V29-Y87 PolarHBondContact O-N 3Å; V29-A89 HydrophobicContact CG2-CB 4.3Å
30	R	93.9	Very high	92.3	Very high	12 Å²	12	54 Å²	54	5%	0.045	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.9	172.8	72.1	-177.9	-178	-177.1	7.3	111.2	L37 E38 V40 D82 A84 M85 Y86	R30-L37 CarbonylContact O-C 3.56Å; R30-L37 WeakPolarHBondContact O-CA 3.4Å; R30-E38 HydrophobicContact CG-CB 3.94Å; R30-E38 IonicContact CZ-OE2 3.01Å; R30-E38 VanDerWaalsContact CZ-OE2 3.27Å; R30-E38 PolarHBondContact N-O 3.01Å; R30-E38 IonicContact NE-OE2 3.93Å; R30-E38 PolarHBondContact NE-OE2 3.02Å; R30-E38 IonicContact NH2-OE2 2.98Å; R30-E38 PolarHBondContact NH2-OE2 3.46Å; R30-E38 PolarHBondContact O-N 2.99Å; R30-V40 HydrophobicContact CB-CG2 3.77Å; R30-V40 HydrophobicContact CG-CG2 3.59Å; R30-D82 IonicContact NH1-OD1 3.13Å; R30-D82 PolarHBondContact NH1-OD1 2.78Å; R30-A84 HydrophobicContact CB-CB 3.77Å; R30-A84 HydrophobicContact CG-CB 4.05Å; R30-M85 CarbonylContact C-O 3.57Å; R30-M85 WeakPolarHBondContact CA-O 3.48Å; R30-Y86 HydrophobicContact CB-CD1 3.88Å; R30-Y86 HydrophobicContact CB-CD2 4.47Å; R30-Y86 HydrophobicContact CB-CE1 3.81Å; R30-Y86 HydrophobicContact CB-CE2 4.38Å; R30-Y86 HydrophobicContact CB-CG 4.21Å; R30-Y86 WeakPolarHBondContact CD-OH 3.49Å; R30-Y86 HydrophobicContact CG-CE1 4.45Å; R30-Y86 PolarHBondContact NH1-OH 2.87Å
31	Q	93	Very high	92.6	Very high	60 Å²	60	49.9 Å²	49.9	28%	0.28	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.3	168.6	-171.8	175	39.7	0	0	108.8	R36 L37 A84 M85 Y87	Q31-R36 VanDerWaalsContact CA-O 3.29Å; Q31-R36 WeakPolarHBondContact CA-O 3.49Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 4.18Å; Q31-A84 WeakPolarHBondContact O-CA 3.31Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; Q31-M85 HydrophobicContact CB-CB 4.46Å; Q31-M85 PolarHBondContact N-O 2.81Å; Q31-M85 PolarHBondContact O-N 3.19Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.54Å; Q31-Y87 PolarHBondContact OE1-OH 2.98Å
32	T	92.3	Very high	92.8	Very high	15 Å²	15	50.8 Å²	50.8	9%	0.092	26%	0.257	C	S	.	.			trans	-70.7	164.6	176.6	44.2	0	0	0	0	110.9	D34 K35 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.48Å; T32-D34 PolarHBondContact O-N 2.96Å; T32-D34 VanDerWaalsContact O-N 3.15Å; T32-D34 PolarHBondContact OG1-OD1 3.36Å; T32-K35 WeakPolarHBondContact O-CA 3.33Å; T32-K35 PolarHBondContact O-N 2.98Å; T32-R36 PolarHBondContact N-O 3.09Å; T32-R36 WeakPolarHBondContact OG1-CB 3.14Å; T32-R36 PolarHBondContact OG1-N 3.24Å; T32-R36 PolarHBondContact OG1-O 3.25Å; T32-R36 VanDerWaalsContact OG1-O 3.05Å
33	P	89.6	Confident	93	Very high	108 Å²	108	48.5 Å²	48.5	70%	0.701	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.1	-178.5	-27.7	36.3	0	0	0	115	K35 T83	P33-K35 PolarHBondContact O-N 3.14Å; P33-T83 WeakPolarHBondContact CD-O 3.44Å
34	D	91.8	Very high	93.1	Very high	105 Å²	105	46.2 Å²	46.2	56%	0.561	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	9.6	172.6	67.9	-19.4	0	0	0	113.5	T32 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.48Å; T32-D34 PolarHBondContact O-N 2.96Å; T32-D34 VanDerWaalsContact O-N 3.15Å; T32-D34 PolarHBondContact OG1-OD1 3.36Å; D34-R36 PolarHBondContact O-N 3.04Å; D34-R36 PolarHBondContact OD1-N 3.12Å
35	K	88.4	Confident	93.2	Very high	167 Å²	167	45 Å²	45	73%	0.726	22%	0.222	S	C	*	.			trans	68	10.9	179.2	-51.1	-178	-178.8	178.9	0	115.3	T32 P33	T32-K35 WeakPolarHBondContact O-CA 3.33Å; T32-K35 PolarHBondContact O-N 2.98Å; P33-K35 PolarHBondContact O-N 3.14Å
36	R	90.6	Very high	92.8	Very high	142 Å²	142	47.8 Å²	47.8	54%	0.536	25%	0.251	S	S	.	.			trans	-71.1	132.2	173	-178.3	172.1	71.9	-155.9	2	110.5	Q31 T32 D34 E38	Q31-R36 VanDerWaalsContact CA-O 3.29Å; Q31-R36 WeakPolarHBondContact CA-O 3.49Å; T32-R36 PolarHBondContact N-O 3.09Å; T32-R36 WeakPolarHBondContact OG1-CB 3.14Å; T32-R36 PolarHBondContact OG1-N 3.24Å; T32-R36 PolarHBondContact OG1-O 3.25Å; T32-R36 VanDerWaalsContact OG1-O 3.05Å; D34-R36 PolarHBondContact O-N 3.04Å; D34-R36 PolarHBondContact OD1-N 3.12Å; R36-E38 HydrophobicContact CG-CG 4.22Å; R36-E38 IonicContact CZ-OE1 2.78Å; R36-E38 IonicContact NE-OE1 3.27Å; R36-E38 PolarHBondContact NE-OE1 3.22Å; R36-E38 IonicContact NH2-OE1 2.87Å; R36-E38 PolarHBondContact NH2-OE1 3.36Å
37	L	91.4	Very high	92.7	Very high	116 Å²	116	49.1 Å²	49.1	61%	0.607	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.6	172.8	-72.5	169.7	0	0	0	109.9	V29 R30 Q31	V29-L37 HydrophobicContact CG1-CB 4.43Å; V29-L37 HydrophobicContact CG1-CD2 4.09Å; R30-L37 CarbonylContact O-C 3.56Å; R30-L37 WeakPolarHBondContact O-CA 3.4Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 4.18Å
38	E	93.2	Very high	92.5	Very high	35 Å²	35	54.7 Å²	54.7	16%	0.164	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.5	-178.6	-63.7	-176.9	169.7	0	0	110.6	V29 R30 R36	V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.4Å; V29-E38 WeakPolarHBondContact CG1-O 3.44Å; R30-E38 HydrophobicContact CG-CB 3.94Å; R30-E38 IonicContact CZ-OE2 3.01Å; R30-E38 VanDerWaalsContact CZ-OE2 3.27Å; R30-E38 PolarHBondContact N-O 3.01Å; R30-E38 IonicContact NE-OE2 3.93Å; R30-E38 PolarHBondContact NE-OE2 3.02Å; R30-E38 IonicContact NH2-OE2 2.98Å; R30-E38 PolarHBondContact NH2-OE2 3.46Å; R30-E38 PolarHBondContact O-N 2.99Å; R36-E38 HydrophobicContact CG-CG 4.22Å; R36-E38 IonicContact CZ-OE1 2.78Å; R36-E38 IonicContact NE-OE1 3.27Å; R36-E38 PolarHBondContact NE-OE1 3.22Å; R36-E38 IonicContact NH2-OE1 2.87Å; R36-E38 PolarHBondContact NH2-OE1 3.36Å
39	W	93	Very high	92.5	Very high	96 Å²	96	61.1 Å²	61.1	36%	0.364	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	136.7	167.8	-81.1	91	0	0	0	110.5	S27 V29 T42 P53 F97	S27-W39 WeakPolarHBondContact OG-CZ3 3.48Å; V29-W39 HydrophobicContact CG2-CD2 4.34Å; V29-W39 HydrophobicContact CG2-CE3 4.38Å; V29-W39 HydrophobicContact CG2-CH2 4.24Å; V29-W39 HydrophobicContact CG2-CZ2 4.25Å; V29-W39 HydrophobicContact CG2-CZ3 4.39Å; W39-T42 VanDerWaalsContact CZ3-OG1 3.27Å; W39-T42 WeakPolarHBondContact CZ3-OG1 3.24Å; W39-P53 WeakPolarHBondContact O-CG 3.27Å; W39-F97 AromaticContact CH2-CD1 3.41Å; W39-F97 HydrophobicContact CH2-CD1 3.41Å; W39-F97 VanDerWaalsContact CH2-CD1 3.41Å; W39-F97 AromaticContact CH2-CE1 3.06Å; W39-F97 HydrophobicContact CH2-CE1 3.06Å; W39-F97 HydrophobicContact CH2-CG 4.36Å; W39-F97 AromaticContact CH2-CZ 3.74Å; W39-F97 HydrophobicContact CH2-CZ 3.74Å; W39-F97 AromaticContact CZ2-CD1 3.51Å; W39-F97 HydrophobicContact CZ2-CD1 3.51Å; W39-F97 HydrophobicContact CZ2-CD2 4.28Å; W39-F97 AromaticContact CZ2-CE1 3.3Å; W39-F97 HydrophobicContact CZ2-CE1 3.3Å; W39-F97 HydrophobicContact CZ2-CE2 4.07Å; W39-F97 HydrophobicContact CZ2-CG 4.03Å; W39-F97 AromaticContact CZ2-CZ 3.59Å; W39-F97 HydrophobicContact CZ2-CZ 3.59Å; W39-F97 HydrophobicContact CZ3-CE1 4.11Å
40	V	95.9	Very high	92.6	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-48.9	-178.8	-179.3	0	0	0	0	111.4	W28 R30 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.03Å; W28-V40 HydrophobicContact CB-CG1 4.45Å; W28-V40 WeakPolarHBondContact O-CB 3.48Å; W28-V40 PolarHBondContact O-N 3.26Å; R30-V40 HydrophobicContact CB-CG2 3.77Å; R30-V40 HydrophobicContact CG-CG2 3.59Å; V40-P53 WeakPolarHBondContact O-CD 3.33Å; V40-V56 HydrophobicContact CG1-CG2 4.44Å; V40-V56 VanDerWaalsContact O-CG2 3.3Å; V40-V56 WeakPolarHBondContact O-CG2 3.14Å; V40-F60 HydrophobicContact CG1-CD2 3.65Å; V40-F60 HydrophobicContact CG1-CE2 4.05Å; V40-L73 HydrophobicContact CG1-CD2 3.84Å; V40-Y86 HydrophobicContact CG1-CE1 4.3Å; V40-Y86 HydrophobicContact CG2-CD1 4.38Å; V40-Y86 HydrophobicContact CG2-CE1 4Å
41	A	96.8	Very high	92.7	Very high	1 Å²	1	68 Å²	68	1%	0.008	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	152.8	177.5	0	0	0	0	0	111	S27 W28 Y51 Y52 I62 L73	S27-A41 CarbonylContact C-O 3.57Å; S27-A41 VanDerWaalsContact CA-O 3.28Å; S27-A41 WeakPolarHBondContact CA-O 3.28Å; W28-A41 PolarHBondContact N-O 3.31Å; W28-A41 PolarHBondContact O-N 2.9Å; A41-Y51 CarbonylContact C-O 3.59Å; A41-Y51 VanDerWaalsContact CA-O 3.3Å; A41-Y51 WeakPolarHBondContact CA-O 3.3Å; A41-Y52 HydrophobicContact CB-CD1 3.65Å; A41-Y52 HydrophobicContact CB-CE1 3.69Å; A41-I62 HydrophobicContact CB-CB 3.77Å; A41-I62 HydrophobicContact CB-CD1 3.94Å; A41-I62 HydrophobicContact CB-CG1 4.4Å; A41-I62 HydrophobicContact CB-CG2 3.98Å; A41-L73 HydrophobicContact CB-CD1 4.15Å
42	T	95.6	Very high	92.9	Very high	18 Å²	18	67.2 Å²	67.2	11%	0.11	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.3	174.9	-68	0	0	0	0	110.4	M26 S27 W39 T50 Y51 H91	M26-T42 CarbonylContact O-C 3.59Å; M26-T42 WeakPolarHBondContact O-CA 3.06Å; S27-T42 PolarHBondContact OG-OG1 2.77Å; W39-T42 VanDerWaalsContact CZ3-OG1 3.27Å; W39-T42 WeakPolarHBondContact CZ3-OG1 3.24Å; T42-T50 CarbonylContact O-C 3.16Å; T42-T50 WeakPolarHBondContact O-CA 3.39Å; T42-Y51 PolarHBondContact N-O 2.88Å; T42-Y51 PolarHBondContact O-N 2.7Å; T42-H91 VanDerWaalsContact CG2-CE1 3.48Å; T42-H91 WeakPolarHBondContact CG2-CE1 3.48Å
43	I	95.7	Very high	93.1	Very high	7 Å²	7	67.5 Å²	67.5	4%	0.036	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132	172.7	-171.2	161.2	0	0	0	109.8	G25 M26 Y49 T50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.48Å; G25-I43 WeakPolarHBondContact CA-O 3.37Å; M26-I43 HydrophobicContact CB-CG2 3.94Å; M26-I43 PolarHBondContact N-O 2.73Å; M26-I43 PolarHBondContact O-N 2.8Å; I43-Y49 WeakPolarHBondContact CA-O 3.3Å; I43-T50 HydrophobicContact CB-CG2 4.12Å; I43-T50 HydrophobicContact CD1-CG2 3.95Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; I43-I62 HydrophobicContact CB-CD1 4Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 3.98Å; I43-I62 HydrophobicContact CG2-CD1 3.67Å; I43-I62 HydrophobicContact CG2-CG1 3.99Å; I43-R64 HydrophobicContact CD1-CB 4.31Å; I43-R64 HydrophobicContact CD1-CG 3.8Å; I43-R64 HydrophobicContact CG1-CG 4.49Å; I43-L71 HydrophobicContact CG2-CD1 3.66Å
44	S	93.9	Very high	93.4	Very high	21 Å²	21	69.1 Å²	69.1	15%	0.147	36%	0.36	C	S	.	.			trans	-64.5	163.7	175.9	55.1	0	0	0	0	112.8	G46 G47 S48 Y49 R64	S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.84Å; S44-G47 PolarHBondContact O-N 3.32Å; S44-G47 PolarHBondContact OG-N 2.94Å; S44-S48 PolarHBondContact OG-N 3.22Å; S44-Y49 PolarHBondContact N-O 3.24Å; S44-Y49 PolarHBondContact OG-N 3.08Å; S44-Y49 PolarHBondContact OG-O 2.97Å; S44-R64 PolarHBondContact O-NH1 3.39Å
45	S	91.3	Very high	93.4	Very high	19 Å²	19	67.2 Å²	67.2	13%	0.133	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-46.6	175.3	54.4	0	0	0	0	113.3	S22 Y24 R64 Y93	S22-S45 WeakPolarHBondContact O-CB 3.23Å; Y24-S45 VanDerWaalsContact O-CA 3.28Å; Y24-S45 WeakPolarHBondContact O-CA 3.47Å; S45-R64 PolarHBondContact O-NE 3.18Å; S45-R64 PolarHBondContact O-NH1 2.82Å; S45-Y93 PolarHBondContact OG-OH 3.32Å
46	G	85.7	Confident	93.8	Very high	63 Å²	63	59.3 Å²	59.3	65%	0.649	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-8	177	0	0	0	0	0	115	S44 S48	S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.84Å; G46-S48 PolarHBondContact O-N 2.89Å
47	G	90.6	Very high	94	Very high	28 Å²	28	59 Å²	59	29%	0.289	32%	0.323	S	S	.	.	S	Bend	trans	74.2	1.5	-177.1	0	0	0	0	0	115.7	S44	S44-G47 PolarHBondContact O-N 3.32Å; S44-G47 PolarHBondContact OG-N 2.94Å
48	S	91.3	Very high	94.2	Very high	117 Å²	117	57.2 Å²	57.2	82%	0.818	33%	0.333	S	S	*	.	S	Bend	trans	-72.1	-32.3	-178.4	55.3	0	0	0	0	113.2	S44 G46	S44-S48 PolarHBondContact OG-N 3.22Å; G46-S48 PolarHBondContact O-N 2.89Å
49	Y	94.4	Very high	94.4	Very high	135 Å²	135	57 Å²	57	53%	0.529	33%	0.331	S	S	.	.			trans	-108.2	133.7	176	177.4	-96.4	0	0	0	111.4	I43 S44	I43-Y49 WeakPolarHBondContact CA-O 3.3Å; S44-Y49 PolarHBondContact N-O 3.24Å; S44-Y49 PolarHBondContact OG-N 3.08Å; S44-Y49 PolarHBondContact OG-O 2.97Å
50	T	96.8	Very high	94.6	Very high	58 Å²	58	52.7 Å²	52.7	36%	0.356	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148	168.3	57.6	0	0	0	0	111.1	T42 I43 I62	T42-T50 CarbonylContact O-C 3.16Å; T42-T50 WeakPolarHBondContact O-CA 3.39Å; I43-T50 HydrophobicContact CB-CG2 4.12Å; I43-T50 HydrophobicContact CD1-CG2 3.95Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; T50-I62 HydrophobicContact CG2-CG2 3.83Å
51	Y	96.1	Very high	94.7	Very high	118 Å²	118	56.3 Å²	56.3	46%	0.463	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.1	175.4	174.2	-96.4	0	0	0	110.7	A41 T42	A41-Y51 CarbonylContact C-O 3.59Å; A41-Y51 VanDerWaalsContact CA-O 3.3Å; A41-Y51 WeakPolarHBondContact CA-O 3.3Å; T42-Y51 PolarHBondContact N-O 2.88Å; T42-Y51 PolarHBondContact O-N 2.7Å
52	Y	97	Very high	94.8	Very high	42 Å²	42	56.6 Å²	56.6	17%	0.165	34%	0.338	C	S	.	.			trans	-138	134.9	175.4	-53.9	-89.2	0	0	0	109.3	A41 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.65Å; A41-Y52 HydrophobicContact CB-CE1 3.69Å; Y52-F60 VanDerWaalsContact CE1-O 3.23Å; Y52-F60 WeakPolarHBondContact CE1-O 3.28Å; Y52-T61 WeakPolarHBondContact OH-CA 3.42Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.93Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.06Å; Y52-I62 PolarHBondContact OH-N 3.05Å
53	P	95.8	Very high	94.8	Very high	22 Å²	22	57.8 Å²	57.8	14%	0.143	35%	0.347	C	S	.	.			trans	-71.2	156.6	168.7	30.9	-30.7	0	0	0	110.7	W39 V40 S55 V56 K57	W39-P53 WeakPolarHBondContact O-CG 3.27Å; V40-P53 WeakPolarHBondContact O-CD 3.33Å; P53-S55 PolarHBondContact O-N 3.11Å; P53-S55 VanDerWaalsContact O-N 3.09Å; P53-V56 HydrophobicContact CG-CG2 3.95Å; P53-V56 PolarHBondContact O-N 2.96Å; P53-V56 VanDerWaalsContact O-N 3.12Å; P53-K57 WeakPolarHBondContact O-CB 3.5Å; P53-K57 PolarHBondContact O-N 2.92Å
54	D	95.2	Very high	94.8	Very high	141 Å²	141	59.2 Å²	59.2	75%	0.754	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.5	-174.5	-65.6	-33.2	0	0	0	113.6	V56	D54-V56 PolarHBondContact O-N 2.68Å
55	S	93.1	Very high	94.9	Very high	66 Å²	66	60.2 Å²	60.2	46%	0.462	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.8	177.6	56.1	0	0	0	0	114.1	P53 R59	P53-S55 PolarHBondContact O-N 3.11Å; P53-S55 VanDerWaalsContact O-N 3.09Å; S55-R59 PolarHBondContact O-NH2 2.94Å
56	V	96	Very high	95	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-7.1	-175.9	-55.3	0	0	0	0	113.5	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG2 4.44Å; V40-V56 VanDerWaalsContact O-CG2 3.3Å; V40-V56 WeakPolarHBondContact O-CG2 3.14Å; P53-V56 HydrophobicContact CG-CG2 3.95Å; P53-V56 PolarHBondContact O-N 2.96Å; P53-V56 VanDerWaalsContact O-N 3.12Å; D54-V56 PolarHBondContact O-N 2.68Å; V56-G58 PolarHBondContact O-N 2.92Å; V56-R59 PolarHBondContact O-N 2.79Å; V56-F60 HydrophobicContact CB-CB 4.17Å; V56-F60 HydrophobicContact CB-CD1 4.42Å; V56-F60 HydrophobicContact CB-CD2 3.58Å; V56-F60 HydrophobicContact CB-CE2 3.96Å; V56-F60 HydrophobicContact CB-CG 3.82Å; V56-F60 HydrophobicContact CB-CZ 4.49Å; V56-F60 HydrophobicContact CG1-CD2 3.67Å; V56-F60 HydrophobicContact CG1-CE2 3.53Å; V56-F60 HydrophobicContact CG1-CG 4.34Å; V56-F60 HydrophobicContact CG1-CZ 4.09Å; V56-F60 HydrophobicContact CG2-CB 4.37Å; V56-F60 HydrophobicContact CG2-CD2 4.12Å; V56-F60 HydrophobicContact CG2-CG 4.45Å; V56-F60 PolarHBondContact O-N 3.47Å
57	K	95.1	Very high	95.4	Very high	134 Å²	134	64 Å²	64	58%	0.583	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	131.9	-179.9	-167.8	170.9	-176.7	178.2	0	111	P53 R59	P53-K57 WeakPolarHBondContact O-CB 3.5Å; P53-K57 PolarHBondContact O-N 2.92Å; K57-R59 PolarHBondContact O-N 2.9Å
58	G	95.8	Very high	95.6	Very high	79 Å²	79	69 Å²	69	81%	0.814	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-7.5	-176.7	0	0	0	0	0	115.2	V56	V56-G58 PolarHBondContact O-N 2.92Å
59	R	97.3	Very high	95.7	Very high	32 Å²	32	66.5 Å²	66.5	12%	0.121	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-38	175.7	-60.2	-169.6	-58.3	117.1	0.8	112.3	S55 V56 K57 S76 S77 D82	S55-R59 PolarHBondContact O-NH2 2.94Å; V56-R59 PolarHBondContact O-N 2.79Å; K57-R59 PolarHBondContact O-N 2.9Å; R59-S76 WeakPolarHBondContact CB-O 3.17Å; R59-S76 PolarHBondContact O-N 3.08Å; R59-S76 PolarHBondContact O-OG 3.23Å; R59-S77 PolarHBondContact NH1-O 3.34Å; R59-D82 IonicContact CZ-OD1 3.89Å; R59-D82 IonicContact CZ-OD2 2.66Å; R59-D82 IonicContact NH1-OD1 3.22Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 2.91Å; R59-D82 IonicContact NH2-OD1 3.4Å; R59-D82 PolarHBondContact NH2-OD1 2.93Å; R59-D82 IonicContact NH2-OD2 2.82Å; R59-D82 PolarHBondContact NH2-OD2 2.92Å
60	F	97.4	Very high	95.7	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145.6	-176.3	-64.1	6.1	0	0	0	110.9	V40 Y52 V56 L73 Q74 M75 L78 D82	V40-F60 HydrophobicContact CG1-CD2 3.65Å; V40-F60 HydrophobicContact CG1-CE2 4.05Å; Y52-F60 VanDerWaalsContact CE1-O 3.23Å; Y52-F60 WeakPolarHBondContact CE1-O 3.28Å; V56-F60 HydrophobicContact CB-CB 4.17Å; V56-F60 HydrophobicContact CB-CD1 4.42Å; V56-F60 HydrophobicContact CB-CD2 3.58Å; V56-F60 HydrophobicContact CB-CE2 3.96Å; V56-F60 HydrophobicContact CB-CG 3.82Å; V56-F60 HydrophobicContact CB-CZ 4.49Å; V56-F60 HydrophobicContact CG1-CD2 3.67Å; V56-F60 HydrophobicContact CG1-CE2 3.53Å; V56-F60 HydrophobicContact CG1-CG 4.34Å; V56-F60 HydrophobicContact CG1-CZ 4.09Å; V56-F60 HydrophobicContact CG2-CB 4.37Å; V56-F60 HydrophobicContact CG2-CD2 4.12Å; V56-F60 HydrophobicContact CG2-CG 4.45Å; V56-F60 PolarHBondContact O-N 3.47Å; F60-L73 HydrophobicContact CB-CD1 4.25Å; F60-L73 HydrophobicContact CD2-CD2 4.3Å; F60-Q74 CarbonylContact C-O 3.58Å; F60-Q74 VanDerWaalsContact CA-O 3.28Å; F60-Q74 WeakPolarHBondContact CA-O 3.44Å; F60-M75 HydrophobicContact CD1-CB 3.78Å; F60-M75 HydrophobicContact CD1-CG 4.02Å; F60-M75 HydrophobicContact CD2-CE 4.48Å; F60-M75 HydrophobicContact CD2-CG 4.05Å; F60-M75 HydrophobicContact CE1-CB 3.75Å; F60-M75 HydrophobicContact CE1-CE 4.25Å; F60-M75 HydrophobicContact CE1-CG 4.13Å; F60-M75 HydrophobicContact CE2-CE 3.67Å; F60-M75 HydrophobicContact CE2-CG 4.13Å; F60-M75 HydrophobicContact CG-CB 4.3Å; F60-M75 HydrophobicContact CG-CG 4.03Å; F60-M75 HydrophobicContact CZ-CB 4.21Å; F60-M75 HydrophobicContact CZ-CE 3.56Å; F60-M75 HydrophobicContact CZ-CG 4.19Å; F60-L78 HydrophobicContact CE1-CD2 3.99Å; F60-L78 HydrophobicContact CZ-CD2 3.98Å; F60-D82 HydrophobicContact CZ-CB 4.16Å
61	T	98	Very high	95.7	Very high	77 Å²	77	58 Å²	58	47%	0.472	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	115	179.2	-54.7	0	0	0	0	109.7	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.42Å; T61-Q74 PolarHBondContact N-O 2.99Å; T61-Q74 PolarHBondContact O-N 2.88Å
62	I	97.9	Very high	95.7	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.2	171.7	-167.1	169.7	0	0	0	109.6	A41 I43 T50 Y52 L71 Y72 L73	A41-I62 HydrophobicContact CB-CB 3.77Å; A41-I62 HydrophobicContact CB-CD1 3.94Å; A41-I62 HydrophobicContact CB-CG1 4.4Å; A41-I62 HydrophobicContact CB-CG2 3.98Å; I43-I62 HydrophobicContact CB-CD1 4Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 3.98Å; I43-I62 HydrophobicContact CG2-CD1 3.67Å; I43-I62 HydrophobicContact CG2-CG1 3.99Å; T50-I62 HydrophobicContact CG2-CG2 3.83Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.93Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.06Å; Y52-I62 PolarHBondContact OH-N 3.05Å; I62-L71 HydrophobicContact CD1-CD1 3.99Å; I62-L71 HydrophobicContact CD1-CD2 4.38Å; I62-L71 HydrophobicContact CD1-CG 4.47Å; I62-L71 HydrophobicContact CG1-CD1 3.96Å; I62-L71 HydrophobicContact CG1-CG 4.47Å; I62-Y72 WeakPolarHBondContact CA-O 3.29Å; I62-L73 HydrophobicContact CB-CD1 4.28Å
63	S	97.2	Very high	95.8	Very high	44 Å²	44	52.4 Å²	52.4	31%	0.308	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.3	173.5	51.8	0	0	0	0	110.1	Y72	S63-Y72 PolarHBondContact N-O 2.89Å; S63-Y72 PolarHBondContact O-N 3.24Å; S63-Y72 WeakPolarHBondContact OG-CB 2.94Å
64	R	96.1	Very high	95.8	Very high	37 Å²	37	54.8 Å²	54.8	14%	0.14	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.7	-177.4	65.9	-178.7	-68.1	151.8	6.1	110.7	F21 Y24 I43 S44 S45 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.26Å; F21-R64 HydrophobicContact CE1-CB 4.06Å; F21-R64 VanDerWaalsContact CE1-NH2 3.27Å; F21-R64 HydrophobicContact CZ-CB 4.09Å; F21-R64 PolarHBondContact O-NH2 2.98Å; Y24-R64 PolarHBondContact O-NH1 2.99Å; I43-R64 HydrophobicContact CD1-CB 4.31Å; I43-R64 HydrophobicContact CD1-CG 3.8Å; I43-R64 HydrophobicContact CG1-CG 4.49Å; S44-R64 PolarHBondContact O-NH1 3.39Å; S45-R64 PolarHBondContact O-NE 3.18Å; S45-R64 PolarHBondContact O-NH1 2.82Å; R64-N66 PolarHBondContact NE-OD1 3.47Å; R64-N66 PolarHBondContact NH2-OD1 3.36Å; R64-T70 WeakPolarHBondContact CA-O 3.36Å; R64-L71 HydrophobicContact CB-CD1 4.19Å
65	D	95.3	Very high	95.9	Very high	42 Å²	42	48.1 Å²	48.1	23%	0.225	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	107.9	170.3	-175.3	-26.3	0	0	0	108.2	A67 K68 N69 T70 Y72	D65-A67 WeakPolarHBondContact OD1-CB 3.5Å; D65-A67 PolarHBondContact OD1-N 3.04Å; D65-K68 HydrophobicContact CB-CB 4.17Å; D65-K68 PolarHBondContact O-N 2.82Å; D65-K68 PolarHBondContact OD1-N 3.3Å; D65-K68 WeakPolarHBondContact OD2-CD 3.38Å; D65-K68 VanDerWaalsContact OD2-CE 3.26Å; D65-K68 WeakPolarHBondContact OD2-CE 3.07Å; D65-K68 WeakPolarHBondContact OD2-CG 2.91Å; D65-K68 IonicContact OD2-NZ 3.54Å; D65-N69 WeakPolarHBondContact O-CA 3.38Å; D65-N69 PolarHBondContact O-N 3.39Å; D65-T70 PolarHBondContact N-O 3.12Å; D65-T70 PolarHBondContact O-N 3Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å
66	N	93.6	Very high	96	Very high	65 Å²	65	46.8 Å²	46.8	35%	0.348	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-28.6	-178.4	-73.9	-14.1	0	0	0	112.8	F21 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 2.92Å; F21-N66 WeakPolarHBondContact CE1-OD1 2.9Å; R64-N66 PolarHBondContact NE-OD1 3.47Å; R64-N66 PolarHBondContact NH2-OD1 3.36Å; N66-K68 VanDerWaalsContact C-N 3.31Å; N66-N69 PolarHBondContact O-N 3.48Å; N66-N69 PolarHBondContact O-OD1 3.3Å
67	A	93.2	Very high	96	Very high	96 Å²	96	49.9 Å²	49.9	79%	0.793	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-32.7	177.4	0	0	0	0	0	110.9	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.5Å; D65-A67 PolarHBondContact OD1-N 3.04Å
68	K	94.8	Very high	96	Very high	132 Å²	132	43.7 Å²	43.7	57%	0.574	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	1.5	177.4	-60.7	-178	-167.5	161.9	0	114	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.17Å; D65-K68 PolarHBondContact O-N 2.82Å; D65-K68 PolarHBondContact OD1-N 3.3Å; D65-K68 WeakPolarHBondContact OD2-CD 3.38Å; D65-K68 VanDerWaalsContact OD2-CE 3.26Å; D65-K68 WeakPolarHBondContact OD2-CE 3.07Å; D65-K68 WeakPolarHBondContact OD2-CG 2.91Å; D65-K68 IonicContact OD2-NZ 3.54Å; N66-K68 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.97Å; K68-T70 VanDerWaalsContact O-N 3.12Å; K68-T70 PolarHBondContact O-OG1 3.3Å
69	N	94	Very high	95.9	Very high	65 Å²	65	44.8 Å²	44.8	35%	0.348	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	38.7	-172.2	-62.6	-40.6	0	0	0	112.9	A16 F21 D65 N66	A16-N69 HydrophobicContact CB-CB 4.29Å; A16-N69 WeakPolarHBondContact CB-O 3.37Å; A16-N69 PolarHBondContact N-O 3.44Å; F21-N69 HydrophobicContact CB-CB 3.97Å; F21-N69 WeakPolarHBondContact CB-OD1 3.47Å; F21-N69 HydrophobicContact CG-CB 4.25Å; D65-N69 WeakPolarHBondContact O-CA 3.38Å; D65-N69 PolarHBondContact O-N 3.39Å; N66-N69 PolarHBondContact O-N 3.48Å; N66-N69 PolarHBondContact O-OD1 3.3Å
70	T	95.1	Very high	95.6	Very high	14 Å²	14	46.7 Å²	46.7	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133	-169.9	-57.9	0	0	0	0	111.6	C14 R64 D65 K68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.41Å; R64-T70 WeakPolarHBondContact CA-O 3.36Å; D65-T70 PolarHBondContact N-O 3.12Å; D65-T70 PolarHBondContact O-N 3Å; K68-T70 PolarHBondContact O-N 2.97Å; K68-T70 VanDerWaalsContact O-N 3.12Å; K68-T70 PolarHBondContact O-OG1 3.3Å; T70-Y72 HydrophobicContact CG2-CD1 4.13Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.52Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.42Å
71	L	96.3	Very high	95.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.2	171.4	-169.8	69.5	0	0	0	109.8	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.48Å; S13-L71 VanDerWaalsContact CA-O 3.28Å; S13-L71 WeakPolarHBondContact CA-O 3.31Å; C14-L71 PolarHBondContact N-O 3.15Å; C14-L71 PolarHBondContact O-N 2.66Å; F21-L71 HydrophobicContact CE2-CB 4.29Å; F21-L71 HydrophobicContact CZ-CB 4.21Å; M26-L71 HydrophobicContact CB-CD1 3.7Å; M26-L71 HydrophobicContact CB-CD2 3.98Å; M26-L71 HydrophobicContact CB-CG 4.4Å; M26-L71 HydrophobicContact CG-CD1 4.5Å; W28-L71 HydrophobicContact CD2-CD2 4.44Å; W28-L71 HydrophobicContact CG-CD2 4.32Å; W28-L71 VanDerWaalsContact NE1-CD2 3.32Å; I43-L71 HydrophobicContact CG2-CD1 3.66Å; I62-L71 HydrophobicContact CD1-CD1 3.99Å; I62-L71 HydrophobicContact CD1-CD2 4.38Å; I62-L71 HydrophobicContact CD1-CG 4.47Å; I62-L71 HydrophobicContact CG1-CD1 3.96Å; I62-L71 HydrophobicContact CG1-CG 4.47Å; R64-L71 HydrophobicContact CB-CD1 4.19Å; L71-C88 HydrophobicContact CD2-CB 4.39Å
72	Y	96.6	Very high	95.1	Very high	43 Å²	43	48.8 Å²	48.8	17%	0.169	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147	178.6	-58.7	-76.7	0	0	0	111.2	L12 I62 S63 D65 T70	L12-Y72 VanDerWaalsContact O-CA 3.26Å; L12-Y72 WeakPolarHBondContact O-CA 3.41Å; I62-Y72 WeakPolarHBondContact CA-O 3.29Å; S63-Y72 PolarHBondContact N-O 2.89Å; S63-Y72 PolarHBondContact O-N 3.24Å; S63-Y72 WeakPolarHBondContact OG-CB 2.94Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å; T70-Y72 HydrophobicContact CG2-CD1 4.13Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.52Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.42Å
73	L	97.4	Very high	94.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	107.5	168.4	-170.6	66.9	0	0	0	108.7	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.59Å; K11-L73 WeakPolarHBondContact CA-O 3.38Å; L12-L73 HydrophobicContact CB-CB 4.25Å; L12-L73 HydrophobicContact CD1-CD2 4.48Å; L12-L73 PolarHBondContact N-O 2.47Å; L12-L73 PolarHBondContact O-N 2.84Å; W28-L73 HydrophobicContact CB-CD2 4.21Å; W28-L73 HydrophobicContact CD2-CB 4.14Å; W28-L73 HydrophobicContact CD2-CD2 4.27Å; W28-L73 HydrophobicContact CG-CB 4.15Å; W28-L73 HydrophobicContact CG-CD1 4.42Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.43Å; W28-L73 HydrophobicContact CZ2-CB 4.32Å; V40-L73 HydrophobicContact CG1-CD2 3.84Å; A41-L73 HydrophobicContact CB-CD1 4.15Å; F60-L73 HydrophobicContact CB-CD1 4.25Å; F60-L73 HydrophobicContact CD2-CD2 4.3Å; I62-L73 HydrophobicContact CB-CD1 4.28Å; L73-M75 HydrophobicContact CD2-CG 3.83Å; L73-M75 HydrophobicContact CD2-SD 3.8Å; L73-M75 HydrophobicContact CG-CG 3.76Å; L73-M75 HydrophobicContact CG-SD 4.27Å; L73-Y86 HydrophobicContact CD2-CD1 4.22Å; L73-Y86 HydrophobicContact CD2-CE1 4.29Å
74	Q	97.1	Very high	94.7	Very high	73 Å²	73	48.2 Å²	48.2	34%	0.341	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.2	167.9	-175.6	64.9	47.3	0	0	108	L10 F60 T61	L10-Q74 PolarHBondContact O-NE2 2.84Å; F60-Q74 CarbonylContact C-O 3.58Å; F60-Q74 VanDerWaalsContact CA-O 3.28Å; F60-Q74 WeakPolarHBondContact CA-O 3.44Å; T61-Q74 PolarHBondContact N-O 2.99Å; T61-Q74 PolarHBondContact O-N 2.88Å
75	M	96.3	Very high	94.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.9	-179.2	-57.1	165.2	63.7	0	0	107.7	S9 L10 L12 F60 L73 L78 Y86 L106	S9-M75 CarbonylContact C-O 3.36Å; S9-M75 WeakPolarHBondContact CA-O 3.38Å; S9-M75 WeakPolarHBondContact CB-O 3.45Å; L10-M75 PolarHBondContact N-O 3.41Å; L10-M75 PolarHBondContact O-N 3.27Å; L12-M75 HydrophobicContact CD1-SD 3.67Å; L12-M75 HydrophobicContact CG-SD 3.84Å; F60-M75 HydrophobicContact CD1-CB 3.78Å; F60-M75 HydrophobicContact CD1-CG 4.02Å; F60-M75 HydrophobicContact CD2-CE 4.48Å; F60-M75 HydrophobicContact CD2-CG 4.05Å; F60-M75 HydrophobicContact CE1-CB 3.75Å; F60-M75 HydrophobicContact CE1-CE 4.25Å; F60-M75 HydrophobicContact CE1-CG 4.13Å; F60-M75 HydrophobicContact CE2-CE 3.67Å; F60-M75 HydrophobicContact CE2-CG 4.13Å; F60-M75 HydrophobicContact CG-CB 4.3Å; F60-M75 HydrophobicContact CG-CG 4.03Å; F60-M75 HydrophobicContact CZ-CB 4.21Å; F60-M75 HydrophobicContact CZ-CE 3.56Å; F60-M75 HydrophobicContact CZ-CG 4.19Å; L73-M75 HydrophobicContact CD2-CG 3.83Å; L73-M75 HydrophobicContact CD2-SD 3.8Å; L73-M75 HydrophobicContact CG-CG 3.76Å; L73-M75 HydrophobicContact CG-SD 4.27Å; M75-L78 HydrophobicContact CB-CD2 3.91Å; M75-L78 HydrophobicContact CB-CG 4.4Å; M75-L78 HydrophobicContact CE-CD2 3.47Å; M75-L78 VanDerWaalsContact CE-CD2 3.47Å; M75-Y86 HydrophobicContact CE-CE1 3.91Å; M75-Y86 HydrophobicContact CE-CE2 4.16Å; M75-Y86 WeakPolarHBondContact CE-OH 3.21Å; M75-Y86 HydrophobicContact SD-CE1 4.41Å; M75-L106 HydrophobicContact CE-CD2 3.25Å; M75-L106 HydrophobicContact SD-CD2 4.04Å
76	S	95.8	Very high	94.5	Very high	38 Å²	38	46.3 Å²	46.3	27%	0.266	26%	0.256	S	S	.	.			trans	-116.2	162.5	174.2	69.2	0	0	0	0	111.2	S9 R59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.45Å; R59-S76 WeakPolarHBondContact CB-O 3.17Å; R59-S76 PolarHBondContact O-N 3.08Å; R59-S76 PolarHBondContact O-OG 3.23Å; S76-L78 VanDerWaalsContact C-N 3.27Å; S76-L78 PolarHBondContact O-N 2.81Å
77	S	94.9	Very high	94.5	Very high	67 Å²	67	44.2 Å²	44.2	47%	0.469	24%	0.244	S	C	.	.	S	Bend	trans	48.5	51.2	178.6	-57.4	0	0	0	0	112	G8 R59	G8-S77 PolarHBondContact O-N 3.31Å; R59-S77 PolarHBondContact NH1-O 3.34Å
78	L	95.1	Very high	94.4	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	21%	0.206	C	C	.	.			trans	-61.2	140.2	-177.5	-76.9	168.9	0	0	0	111.6	V4 G7 G8 L10 F60 M75 S76 D82 L106 V108	V4-L78 HydrophobicContact CB-CD1 4.06Å; V4-L78 HydrophobicContact CG1-CD1 3.75Å; V4-L78 HydrophobicContact CG2-CD1 4.36Å; G7-L78 PolarHBondContact N-O 3.4Å; G8-L78 PolarHBondContact O-N 2.81Å; G8-L78 VanDerWaalsContact O-N 3.08Å; L10-L78 HydrophobicContact CB-CD1 4.14Å; F60-L78 HydrophobicContact CE1-CD2 3.99Å; F60-L78 HydrophobicContact CZ-CD2 3.98Å; M75-L78 HydrophobicContact CB-CD2 3.91Å; M75-L78 HydrophobicContact CB-CG 4.4Å; M75-L78 HydrophobicContact CE-CD2 3.47Å; M75-L78 VanDerWaalsContact CE-CD2 3.47Å; S76-L78 VanDerWaalsContact C-N 3.27Å; S76-L78 PolarHBondContact O-N 2.81Å; L78-D82 HydrophobicContact CD2-CB 3.95Å; L78-L106 HydrophobicContact CD1-CD2 4.46Å; L78-L106 HydrophobicContact CD2-CD2 4.22Å; L78-V108 HydrophobicContact CB-CG1 4.25Å; L78-V108 HydrophobicContact CB-CG2 4.17Å; L78-V108 HydrophobicContact CD1-CG2 4.49Å; L78-V108 HydrophobicContact CD2-CG2 4.5Å
79	K	94.3	Very high	94.2	Very high	103 Å²	103	33.8 Å²	33.8	45%	0.448	18%	0.182	S	C	.	.			trans	-117	163.4	176.9	-51.6	177.4	174.6	179.4	0	110.3	E81 D82 V108	K79-E81 WeakPolarHBondContact CB-OE2 3.35Å; K79-E81 PolarHBondContact O-N 3.32Å; K79-D82 PolarHBondContact N-OD2 2.8Å; K79-D82 WeakPolarHBondContact O-CB 3.39Å; K79-D82 PolarHBondContact O-N 3Å; K79-V108 WeakPolarHBondContact O-CB 3.46Å
80	S	90.6	Very high	94.1	Very high	71 Å²	71	33.2 Å²	33.2	50%	0.497	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-56.4	-34.7	175.5	43.4	0	0	0	0	111.8	D82 T83	S80-D82 PolarHBondContact O-N 3.16Å; S80-T83 VanDerWaalsContact O-CB 3.27Å; S80-T83 WeakPolarHBondContact O-CB 3.12Å; S80-T83 PolarHBondContact O-N 2.85Å; S80-T83 VanDerWaalsContact O-N 3.14Å; S80-T83 PolarHBondContact O-OG1 2.9Å
81	E	91.6	Very high	93.4	Very high	123 Å²	123	34.5 Å²	34.5	58%	0.575	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-68.5	-11.3	177.5	-52.1	82.3	-166.4	0	0	113.6	K79 T83	K79-E81 WeakPolarHBondContact CB-OE2 3.35Å; K79-E81 PolarHBondContact O-N 3.32Å; E81-T83 VanDerWaalsContact C-N 3.29Å
82	D	93.9	Very high	92.3	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-85.8	-2.3	175	-58.9	-49	0	0	0	113.3	R30 R59 F60 L78 K79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.13Å; R30-D82 PolarHBondContact NH1-OD1 2.78Å; R59-D82 IonicContact CZ-OD1 3.89Å; R59-D82 IonicContact CZ-OD2 2.66Å; R59-D82 IonicContact NH1-OD1 3.22Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 2.91Å; R59-D82 IonicContact NH2-OD1 3.4Å; R59-D82 PolarHBondContact NH2-OD1 2.93Å; R59-D82 IonicContact NH2-OD2 2.82Å; R59-D82 PolarHBondContact NH2-OD2 2.92Å; F60-D82 HydrophobicContact CZ-CB 4.16Å; L78-D82 HydrophobicContact CD2-CB 3.95Å; K79-D82 PolarHBondContact N-OD2 2.8Å; K79-D82 WeakPolarHBondContact O-CB 3.39Å; K79-D82 PolarHBondContact O-N 3Å; S80-D82 PolarHBondContact O-N 3.16Å; D82-A84 PolarHBondContact O-N 3.39Å; D82-Y86 WeakPolarHBondContact O-CE2 3.19Å; D82-Y86 PolarHBondContact O-OH 2.73Å
83	T	93.9	Very high	90.6	Very high	33 Å²	33	46.2 Å²	46.2	20%	0.202	23%	0.229	C	C	.	.			trans	-64.3	113.5	173.5	-64	0	0	0	0	110.2	P33 S80 E81 L106 T107 V108	P33-T83 WeakPolarHBondContact CD-O 3.44Å; S80-T83 VanDerWaalsContact O-CB 3.27Å; S80-T83 WeakPolarHBondContact O-CB 3.12Å; S80-T83 PolarHBondContact O-N 2.85Å; S80-T83 VanDerWaalsContact O-N 3.14Å; S80-T83 PolarHBondContact O-OG1 2.9Å; E81-T83 VanDerWaalsContact C-N 3.29Å; T83-L106 WeakPolarHBondContact CA-O 3.47Å; T83-T107 HydrophobicContact CG2-CG2 4.36Å; T83-V108 PolarHBondContact OG1-N 2.79Å
84	A	93.9	Very high	88.8	Confident	5 Å²	5	49 Å²	49	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	166.7	-176.9	0	0	0	0	0	111	R30 Q31 D82 Y86 L106	R30-A84 HydrophobicContact CB-CB 3.77Å; R30-A84 HydrophobicContact CG-CB 4.05Å; Q31-A84 WeakPolarHBondContact O-CA 3.31Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; D82-A84 PolarHBondContact O-N 3.39Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å; A84-L106 PolarHBondContact N-O 3.25Å; A84-L106 VanDerWaalsContact N-O 3.08Å; A84-L106 PolarHBondContact O-N 2.03Å
85	M	93.1	Very high	86.7	Confident	39 Å²	39	52.3 Å²	52.3	19%	0.192	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.6	160.7	-171.1	72.7	71.3	0	0	109	R30 Q31 Y87 P104 T105	R30-M85 CarbonylContact C-O 3.57Å; R30-M85 WeakPolarHBondContact CA-O 3.48Å; Q31-M85 HydrophobicContact CB-CB 4.46Å; Q31-M85 PolarHBondContact N-O 2.81Å; Q31-M85 PolarHBondContact O-N 3.19Å; M85-Y87 HydrophobicContact CB-CE2 3.72Å; M85-Y87 HydrophobicContact CG-CD1 4.47Å; M85-Y87 HydrophobicContact CG-CD2 4.36Å; M85-Y87 HydrophobicContact CG-CE1 3.74Å; M85-Y87 HydrophobicContact CG-CE2 3.57Å; M85-Y87 VanDerWaalsContact CG-OH 3.31Å; M85-Y87 WeakPolarHBondContact CG-OH 3.28Å; M85-Y87 WeakPolarHBondContact O-CD2 3.43Å; M85-Y87 WeakPolarHBondContact O-CE2 3.28Å; M85-P104 VanDerWaalsContact SD-C 3.58Å; M85-T105 HydrophobicContact CE-CG2 4.03Å; M85-T105 WeakPolarHBondContact CE-OG1 3.34Å; M85-T105 WeakPolarHBondContact SD-CA 3.14Å; M85-T105 HydrophobicContact SD-CG2 4.26Å; M85-T105 PolarHBondContact SD-N 2.85Å; M85-T105 PolarHBondContact SD-OG1 3.27Å
86	Y	93.7	Very high	84.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.3	178.8	-73.9	-101.5	0	0	0	110.5	L12 V29 R30 V40 L73 M75 D82 A84 G103 P104 L106	L12-Y86 HydrophobicContact CD1-CD1 3.96Å; L12-Y86 HydrophobicContact CD1-CD2 4.16Å; L12-Y86 HydrophobicContact CD1-CG 3.66Å; V29-Y86 CarbonylContact O-C 3.42Å; R30-Y86 HydrophobicContact CB-CD1 3.88Å; R30-Y86 HydrophobicContact CB-CD2 4.47Å; R30-Y86 HydrophobicContact CB-CE1 3.81Å; R30-Y86 HydrophobicContact CB-CE2 4.38Å; R30-Y86 HydrophobicContact CB-CG 4.21Å; R30-Y86 WeakPolarHBondContact CD-OH 3.49Å; R30-Y86 HydrophobicContact CG-CE1 4.45Å; R30-Y86 PolarHBondContact NH1-OH 2.87Å; V40-Y86 HydrophobicContact CG1-CE1 4.3Å; V40-Y86 HydrophobicContact CG2-CD1 4.38Å; V40-Y86 HydrophobicContact CG2-CE1 4Å; L73-Y86 HydrophobicContact CD2-CD1 4.22Å; L73-Y86 HydrophobicContact CD2-CE1 4.29Å; M75-Y86 HydrophobicContact CE-CE1 3.91Å; M75-Y86 HydrophobicContact CE-CE2 4.16Å; M75-Y86 WeakPolarHBondContact CE-OH 3.21Å; M75-Y86 HydrophobicContact SD-CE1 4.41Å; D82-Y86 WeakPolarHBondContact O-CE2 3.19Å; D82-Y86 PolarHBondContact O-OH 2.73Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å; Y86-G103 CarbonylContact O-C 3.53Å; Y86-G103 WeakPolarHBondContact O-CA 3.47Å; Y86-G103 PolarHBondContact O-N 2.8Å; Y86-P104 PolarHBondContact N-O 2.81Å; Y86-L106 HydrophobicContact CD2-CB 3.92Å; Y86-L106 HydrophobicContact CE2-CB 3.85Å; Y86-L106 HydrophobicContact CE2-CD2 3.91Å; Y86-L106 HydrophobicContact CE2-CG 4.45Å
87	Y	92.1	Very high	83.1	Confident	21 Å²	21	64.2 Å²	64.2	8%	0.082	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.7	-172.9	-59.2	-79	0	0	0	110.2	W28 V29 Q31 M85 Y99 Q102	W28-Y87 WeakPolarHBondContact CA-O 3.11Å; W28-Y87 VanDerWaalsContact CE3-O 3.27Å; V29-Y87 PolarHBondContact N-O 2.97Å; V29-Y87 WeakPolarHBondContact O-CA 3Å; V29-Y87 PolarHBondContact O-N 3Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.54Å; Q31-Y87 PolarHBondContact OE1-OH 2.98Å; M85-Y87 HydrophobicContact CB-CE2 3.72Å; M85-Y87 HydrophobicContact CG-CD1 4.47Å; M85-Y87 HydrophobicContact CG-CD2 4.36Å; M85-Y87 HydrophobicContact CG-CE1 3.74Å; M85-Y87 HydrophobicContact CG-CE2 3.57Å; M85-Y87 VanDerWaalsContact CG-OH 3.31Å; M85-Y87 WeakPolarHBondContact CG-OH 3.28Å; M85-Y87 WeakPolarHBondContact O-CD2 3.43Å; M85-Y87 WeakPolarHBondContact O-CE2 3.28Å; Y87-Y99 AromaticContact CD1-CE2 3.36Å; Y87-Y99 HydrophobicContact CD1-CE2 3.36Å; Y87-Y99 AromaticContact CD1-CZ 3.55Å; Y87-Y99 WeakPolarHBondContact CD1-OH 3.38Å; Y87-Y99 HydrophobicContact CE1-CE2 4Å; Y87-Y99 AromaticContact CE1-CZ 3.96Å; Y87-Y99 WeakPolarHBondContact CE1-OH 3.45Å; Y87-Y99 AromaticContact CG-CE2 3.71Å; Y87-Y99 HydrophobicContact CG-CE2 3.71Å; Y87-Q102 HydrophobicContact CD1-CB 4.49Å; Y87-Q102 HydrophobicContact CD1-CG 4.33Å; Y87-Q102 HydrophobicContact CE1-CB 4.4Å; Y87-Q102 HydrophobicContact CE1-CG 3.87Å
88	C	92.1	Very high	81.5	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.8	176.2	50.5	0	0	0	0	109.2	C14 S27 W28 L71 W100 G101	C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 VanDerWaalsContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.5Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.86Å; S27-C88 WeakPolarHBondContact O-CA 3.26Å; W28-C88 HydrophobicContact CZ3-CB 4.43Å; L71-C88 HydrophobicContact CD2-CB 4.39Å; C88-W100 HydrophobicContact CB-CE3 3.98Å; C88-W100 HydrophobicContact CB-CH2 3.65Å; C88-W100 HydrophobicContact CB-CZ3 3.3Å; C88-G101 PolarHBondContact N-O 3.48Å; C88-G101 PolarHBondContact O-N 2.98Å
89	A	91.7	Very high	79.9	Confident	8 Å²	8	71.2 Å²	71.2	7%	0.066	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.9	-178	0	0	0	0	0	109.9	S27 V29	S27-A89 PolarHBondContact N-O 3.29Å; S27-A89 PolarHBondContact O-N 3.36Å; V29-A89 HydrophobicContact CG2-CB 4.3Å
90	R	90	Very high	78.4	Confident	53 Å²	53	68.7 Å²	68.7	20%	0.2	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	153.9	171.7	70.8	179.4	-174.8	-170.9	1.4	109.5	F19 G25 M26 D98	F19-R90 VanDerWaalsContact CG-NH1 3.34Å; G25-R90 CarbonylContact O-C 3.51Å; G25-R90 WeakPolarHBondContact O-CA 3.35Å; M26-R90 HydrophobicContact CE-CB 3.91Å; M26-R90 HydrophobicContact SD-CB 3.82Å; R90-D98 HydrophobicContact CG-CB 3.81Å; R90-D98 IonicContact CZ-OD2 3.55Å; R90-D98 PolarHBondContact N-O 3.1Å; R90-D98 IonicContact NE-OD2 3.39Å; R90-D98 PolarHBondContact NE-OD2 2.77Å; R90-D98 IonicContact NH2-OD2 2.82Å; R90-D98 PolarHBondContact NH2-OD2 2.87Å; R90-D98 PolarHBondContact O-N 2.94Å
91	H	82.2	Confident	77	Confident	41 Å²	41	66 Å²	66	19%	0.19	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.6	170.4	62.7	-81.5	0	0	0	111.8	G25 S27 T42 Y96 F97	G25-H91 WeakPolarHBondContact CA-CE1 3.29Å; G25-H91 PolarHBondContact N-O 2.99Å; G25-H91 PolarHBondContact O-N 2.79Å; G25-H91 PolarHBondContact O-ND1 2.86Å; S27-H91 PolarHBondContact OG-ND1 2.84Å; T42-H91 VanDerWaalsContact CG2-CE1 3.48Å; T42-H91 WeakPolarHBondContact CG2-CE1 3.48Å; H91-Y96 WeakPolarHBondContact CA-O 3.49Å; H91-F97 HydrophobicContact CB-CD1 3.54Å; H91-F97 HydrophobicContact CB-CE1 3.54Å; H91-F97 HydrophobicContact CB-CG 4.41Å; H91-F97 HydrophobicContact CB-CZ 4.46Å; H91-F97 AromaticContact CG-CE1 3.86Å
92	E	71.5	Confident	75.7	Confident	91 Å²	91	66.9 Å²	66.9	43%	0.425	31%	0.31	S	S	.	.			trans	-91.2	160.9	169.8	-73.4	-171.9	169.7	0	0	110.9	Y24 S94 N95 Y96	Y24-E92 HydrophobicContact CD1-CG 3.77Å; Y24-E92 HydrophobicContact CE1-CG 3.39Å; Y24-E92 WeakPolarHBondContact CE1-OE1 3.37Å; Y24-E92 PolarHBondContact OH-OE1 2.96Å; E92-S94 PolarHBondContact O-N 3.41Å; E92-N95 PolarHBondContact O-N 2.98Å; E92-Y96 PolarHBondContact N-O 3.06Å
93	Y	61.1	Low	74.3	Confident	199 Å²	199	67.3 Å²	67.3	78%	0.78	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-8.5	173.6	-70.5	-85.9	0	0	0	113.9	S45	S45-Y93 PolarHBondContact OG-OH 3.32Å
94	S	59.6	Low	73.2	Confident	58 Å²	58	68 Å²	68	41%	0.406	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	10.4	-179	59.6	0	0	0	0	115.1	E92 Y96	E92-S94 PolarHBondContact O-N 3.41Å; S94-Y96 VanDerWaalsContact C-N 3.33Å; S94-Y96 WeakPolarHBondContact O-CD2 3.39Å; S94-Y96 PolarHBondContact O-N 3.29Å
95	N	54.3	Low	72.5	Confident	143 Å²	143	70.4 Å²	70.4	77%	0.765	34%	0.335	S	S	*	.	S	Bend	trans	69.8	13.5	-178	-56.3	-58.2	0	0	0	116.3	E92	E92-N95 PolarHBondContact O-N 2.98Å
96	Y	56.4	Low	71.6	Confident	176 Å²	176	68.6 Å²	68.6	69%	0.69	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-89.1	127.5	172.7	-74	-89.2	0	0	0	111.1	H91 E92 S94	H91-Y96 WeakPolarHBondContact CA-O 3.49Å; E92-Y96 PolarHBondContact N-O 3.06Å; S94-Y96 VanDerWaalsContact C-N 3.33Å; S94-Y96 WeakPolarHBondContact O-CD2 3.39Å; S94-Y96 PolarHBondContact O-N 3.29Å
97	F	60.2	Low	70.7	Confident	112 Å²	112	71.2 Å²	71.2	49%	0.491	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.2	175.1	-68.6	-75.6	0	0	0	110.1	W39 H91	W39-F97 AromaticContact CH2-CD1 3.41Å; W39-F97 HydrophobicContact CH2-CD1 3.41Å; W39-F97 VanDerWaalsContact CH2-CD1 3.41Å; W39-F97 AromaticContact CH2-CE1 3.06Å; W39-F97 HydrophobicContact CH2-CE1 3.06Å; W39-F97 HydrophobicContact CH2-CG 4.36Å; W39-F97 AromaticContact CH2-CZ 3.74Å; W39-F97 HydrophobicContact CH2-CZ 3.74Å; W39-F97 AromaticContact CZ2-CD1 3.51Å; W39-F97 HydrophobicContact CZ2-CD1 3.51Å; W39-F97 HydrophobicContact CZ2-CD2 4.28Å; W39-F97 AromaticContact CZ2-CE1 3.3Å; W39-F97 HydrophobicContact CZ2-CE1 3.3Å; W39-F97 HydrophobicContact CZ2-CE2 4.07Å; W39-F97 HydrophobicContact CZ2-CG 4.03Å; W39-F97 AromaticContact CZ2-CZ 3.59Å; W39-F97 HydrophobicContact CZ2-CZ 3.59Å; W39-F97 HydrophobicContact CZ3-CE1 4.11Å; H91-F97 HydrophobicContact CB-CD1 3.54Å; H91-F97 HydrophobicContact CB-CE1 3.54Å; H91-F97 HydrophobicContact CB-CG 4.41Å; H91-F97 HydrophobicContact CB-CZ 4.46Å; H91-F97 AromaticContact CG-CE1 3.86Å
98	D	61.3	Low	69.6	Low	82 Å²	82	70.6 Å²	70.6	44%	0.439	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.3	170.5	-85.1	-13.7	0	0	0	109.2	R90 W100	R90-D98 HydrophobicContact CG-CB 3.81Å; R90-D98 IonicContact CZ-OD2 3.55Å; R90-D98 PolarHBondContact N-O 3.1Å; R90-D98 IonicContact NE-OD2 3.39Å; R90-D98 PolarHBondContact NE-OD2 2.77Å; R90-D98 IonicContact NH2-OD2 2.82Å; R90-D98 PolarHBondContact NH2-OD2 2.87Å; R90-D98 PolarHBondContact O-N 2.94Å; D98-W100 PolarHBondContact O-N 3.01Å
99	Y	60	Low	68.2	Low	135 Å²	135	75.5 Å²	75.5	53%	0.529	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.4	168.5	178.5	-87.7	0	0	0	109	Y87 Q102	Y87-Y99 AromaticContact CD1-CE2 3.36Å; Y87-Y99 HydrophobicContact CD1-CE2 3.36Å; Y87-Y99 AromaticContact CD1-CZ 3.55Å; Y87-Y99 WeakPolarHBondContact CD1-OH 3.38Å; Y87-Y99 HydrophobicContact CE1-CE2 4Å; Y87-Y99 AromaticContact CE1-CZ 3.96Å; Y87-Y99 WeakPolarHBondContact CE1-OH 3.45Å; Y87-Y99 AromaticContact CG-CE2 3.71Å; Y87-Y99 HydrophobicContact CG-CE2 3.71Å; Y99-Q102 VanDerWaalsContact OH-CA 3.29Å; Y99-Q102 WeakPolarHBondContact OH-CA 3.48Å; Y99-Q102 WeakPolarHBondContact OH-CB 3.37Å; Y99-Q102 PolarHBondContact OH-N 2.78Å
100	W	62.9	Low	67.1	Low	49 Å²	49	78.9 Å²	78.9	19%	0.186	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	-17.7	-172.2	125.5	74.9	0	0	0	114.3	C14 A16 F19 F21 M26 C88 D98	C14-W100 HydrophobicContact CB-CH2 4.27Å; C14-W100 WeakPolarHBondContact SG-CH2 3.39Å; C14-W100 WeakPolarHBondContact SG-CZ2 3.48Å; A16-W100 HydrophobicContact CB-CH2 4.34Å; A16-W100 HydrophobicContact CB-CZ2 3.44Å; A16-W100 VanDerWaalsContact CB-CZ2 3.44Å; F19-W100 AromaticContact CE1-CD1 3.51Å; F19-W100 HydrophobicContact CE1-CD2 4.03Å; F19-W100 AromaticContact CE1-CE2 3.91Å; F19-W100 AromaticContact CE1-CG 3.79Å; F19-W100 HydrophobicContact CE1-CG 3.79Å; F19-W100 AromaticContact CE1-NE1 3.6Å; F19-W100 AromaticContact CZ-CD2 3.95Å; F19-W100 HydrophobicContact CZ-CD2 3.95Å; F19-W100 AromaticContact CZ-CE2 3.89Å; F19-W100 HydrophobicContact CZ-CE3 4.49Å; F19-W100 HydrophobicContact CZ-CG 4.15Å; F19-W100 HydrophobicContact CZ-CZ2 4.36Å; F21-W100 HydrophobicContact CE2-CH2 4.48Å; M26-W100 HydrophobicContact CE-CD2 4.3Å; M26-W100 HydrophobicContact CE-CE3 3.52Å; M26-W100 HydrophobicContact CE-CH2 3.3Å; M26-W100 HydrophobicContact CE-CZ2 4.13Å; M26-W100 HydrophobicContact CE-CZ3 2.95Å; C88-W100 HydrophobicContact CB-CE3 3.98Å; C88-W100 HydrophobicContact CB-CH2 3.65Å; C88-W100 HydrophobicContact CB-CZ3 3.3Å; D98-W100 PolarHBondContact O-N 3.01Å
101	G	62.8	Low	65.8	Low	15 Å²	15	80.3 Å²	80.3	16%	0.155	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	137.3	179.4	0	0	0	0	0	114.9	C88 G103	C88-G101 PolarHBondContact N-O 3.48Å; C88-G101 PolarHBondContact O-N 2.98Å; G101-G103 PolarHBondContact O-N 2.96Å
102	Q	64.2	Low	64.9	Low	141 Å²	141	82.4 Å²	82.4	66%	0.659	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	111.8	166.8	-173.4	164.2	9.3	0	0	109.4	Y87 Y99	Y87-Q102 HydrophobicContact CD1-CB 4.49Å; Y87-Q102 HydrophobicContact CD1-CG 4.33Å; Y87-Q102 HydrophobicContact CE1-CB 4.4Å; Y87-Q102 HydrophobicContact CE1-CG 3.87Å; Y99-Q102 VanDerWaalsContact OH-CA 3.29Å; Y99-Q102 WeakPolarHBondContact OH-CA 3.48Å; Y99-Q102 WeakPolarHBondContact OH-CB 3.37Å; Y99-Q102 PolarHBondContact OH-N 2.78Å
103	G	62.9	Low	64.5	Low	12 Å²	12	81.9 Å²	81.9	12%	0.124	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	177.9	172.2	0	0	0	0	0	111.6	Y86 G101	Y86-G103 CarbonylContact O-C 3.53Å; Y86-G103 WeakPolarHBondContact O-CA 3.47Å; Y86-G103 PolarHBondContact O-N 2.8Å; G101-G103 PolarHBondContact O-N 2.96Å
104	P	71.9	Confident	64.8	Low	48 Å²	48	74.6 Å²	74.6	31%	0.312	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	154.1	-177.3	30.5	-35.3	0	0	0	112.3	L12 M85 Y86	L12-P104 HydrophobicContact CD2-CG 3.87Å; M85-P104 VanDerWaalsContact SD-C 3.58Å; Y86-P104 PolarHBondContact N-O 2.81Å
105	T	78.8	Confident	65.1	Low	56 Å²	56	75.7 Å²	75.7	34%	0.344	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.1	166	-35.7	0	0	0	0	109.4	G1 D2 M85	G1-T105 CarbonylContact C-O 3.54Å; G1-T105 WeakPolarHBondContact CA-O 3.42Å; D2-T105 PolarHBondContact N-O 3.12Å; M85-T105 HydrophobicContact CE-CG2 4.03Å; M85-T105 WeakPolarHBondContact CE-OG1 3.34Å; M85-T105 WeakPolarHBondContact SD-CA 3.14Å; M85-T105 HydrophobicContact SD-CG2 4.26Å; M85-T105 PolarHBondContact SD-N 2.85Å; M85-T105 PolarHBondContact SD-OG1 3.27Å
106	L	74.4	Confident	65.9	Low	1 Å²	1	70.9 Å²	70.9	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.7	172.9	177.3	61.3	0	0	0	110	D2 V4 L10 M75 L78 T83 A84 Y86 V108	D2-L106 HydrophobicContact CB-CD1 4.24Å; D2-L106 WeakPolarHBondContact O-CD1 3.16Å; V4-L106 HydrophobicContact CG2-CD1 3.78Å; L10-L106 HydrophobicContact CD2-CD1 3.33Å; L10-L106 HydrophobicContact CD2-CD2 4.22Å; L10-L106 HydrophobicContact CD2-CG 4.33Å; M75-L106 HydrophobicContact CE-CD2 3.25Å; M75-L106 HydrophobicContact SD-CD2 4.04Å; L78-L106 HydrophobicContact CD1-CD2 4.46Å; L78-L106 HydrophobicContact CD2-CD2 4.22Å; T83-L106 WeakPolarHBondContact CA-O 3.47Å; A84-L106 PolarHBondContact N-O 3.25Å; A84-L106 VanDerWaalsContact N-O 3.08Å; A84-L106 PolarHBondContact O-N 2.03Å; Y86-L106 HydrophobicContact CD2-CB 3.92Å; Y86-L106 HydrophobicContact CE2-CB 3.85Å; Y86-L106 HydrophobicContact CE2-CD2 3.91Å; Y86-L106 HydrophobicContact CE2-CG 4.45Å; L106-V108 HydrophobicContact CG-CG2 4.36Å
107	T	74.5	Confident	66.6	Low	54 Å²	54	62.8 Å²	62.8	33%	0.331	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.9	174.4	-56	0	0	0	0	110	D2 L3 V4 T83	D2-T107 PolarHBondContact O-N 3.49Å; L3-T107 WeakPolarHBondContact CA-O 3.29Å; L3-T107 HydrophobicContact CD1-CG2 3.8Å; V4-T107 PolarHBondContact N-O 3.01Å; T83-T107 HydrophobicContact CG2-CG2 4.36Å
108	V	68.5	Low	67.1	Low	9 Å²	9	58.8 Å²	58.8	6%	0.055	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.5	176.8	-172.8	0	0	0	0	109.2	V4 P6 L78 K79 T83 L106	V4-V108 VanDerWaalsContact O-CA 3.24Å; V4-V108 WeakPolarHBondContact O-CA 3.26Å; P6-V108 HydrophobicContact CB-CG1 4.45Å; P6-V108 HydrophobicContact CG-CG1 4.14Å; L78-V108 HydrophobicContact CB-CG1 4.25Å; L78-V108 HydrophobicContact CB-CG2 4.17Å; L78-V108 HydrophobicContact CD1-CG2 4.49Å; L78-V108 HydrophobicContact CD2-CG2 4.5Å; K79-V108 WeakPolarHBondContact O-CB 3.46Å; T83-V108 PolarHBondContact OG1-N 2.79Å; L106-V108 HydrophobicContact CG-CG2 4.36Å
109	S	63.6	Low	67.7	Low	103 Å²	103	56.6 Å²	56.6	72%	0.72	31%	0.311	S	S	*	.			trans	-141.5	0	-175.9	69.5	0	0	0	0	112.9	L3 V4 P6	L3-S109 VanDerWaalsContact CD1-OG 3.31Å; L3-S109 WeakPolarHBondContact CD1-OG 3.38Å; V4-S109 PolarHBondContact O-N 2.95Å; V4-S109 VanDerWaalsContact O-N 3.11Å; P6-S109 VanDerWaalsContact CD-C 3.5Å

Retrieved 109 of 109 residues in 29.3 ms (Link to these results)

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