X5J5A2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5A2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J5A2_MOUSE|X5J5A2
GGLVKPGGSLKLSCAASGFTFSDYGMHWVRQAPEKGLEWVAYISSGSSTIYYADTVKGRFTISRDNAKNTLFLQMTSLRSEDTAMYYCARDYYGSSYPFDYWGQGTTLTVSS
					

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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	70.8	Confident	93	Very high	74 Å²	74	68 Å²	68	76%	0.763	44%	0.438	S	S	*	.				0	-178.7	0	0	0	0	0	0	110	T106 T107	G1-T106 WeakPolarHBondContact CA-OG1 3.27Å; G1-T106 PolarHBondContact N-OG1 2.78Å; G1-T107 CarbonylContact C-O 3.59Å; G1-T107 WeakPolarHBondContact CA-O 3.26Å
2	G	89.4	Confident	93.4	Very high	25 Å²	25	63 Å²	63	26%	0.258	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	153.7	178.5	0	0	0	0	0	113.1	T107 T109	G2-T107 PolarHBondContact N-O 3.45Å; G2-T107 VanDerWaalsContact N-O 3.14Å; G2-T109 PolarHBondContact O-N 3.4Å
3	L	93.1	Very high	93.7	Very high	127 Å²	127	64 Å²	64	67%	0.665	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.6	165.7	177.1	63	0	0	0	108	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.12Å; L3-T109 HydrophobicContact CD1-CG2 3.72Å; L3-S111 WeakPolarHBondContact CD1-OG 3.2Å
4	V	95.3	Very high	93.9	Very high	20 Å²	20	60.8 Å²	60.8	12%	0.121	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.6	-177.4	-159.2	0	0	0	0	109	L10 L78 L108 T109 V110 S111	V4-L10 HydrophobicContact CG2-CB 4.02Å; V4-L10 HydrophobicContact CG2-CD2 4.1Å; V4-L10 HydrophobicContact CG2-CG 4.43Å; V4-L78 HydrophobicContact CB-CD1 4.11Å; V4-L78 HydrophobicContact CG1-CD1 4.13Å; V4-L78 HydrophobicContact CG2-CD1 4.09Å; V4-L108 HydrophobicContact CG2-CD1 3.88Å; V4-T109 PolarHBondContact N-O 3.04Å; V4-V110 VanDerWaalsContact O-CA 3.24Å; V4-V110 WeakPolarHBondContact O-CA 3.37Å; V4-S111 PolarHBondContact O-N 3.29Å; V4-S111 VanDerWaalsContact O-N 3.12Å
5	K	95.4	Very high	94.1	Very high	140 Å²	140	62.1 Å²	62.1	61%	0.609	41%	0.412	S	S	*	.			trans	-74.6	151.7	171.5	-69.3	-173.2	174.1	-172.8	0	111.1	G8	K5-G8 WeakPolarHBondContact O-CA 3.11Å; K5-G8 PolarHBondContact O-N 2.97Å
6	P	96.6	Very high	94	Very high	66 Å²	66	59.2 Å²	59.2	43%	0.429	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	141.3	170.3	-25.9	33.7	0	0	0	112.1	G8 L78 V110	P6-G8 PolarHBondContact O-N 2.94Å; P6-L78 CarbonylContact C-O 3.6Å; P6-V110 HydrophobicContact CB-CG1 4.39Å; P6-V110 HydrophobicContact CG-CG1 4.08Å
7	G	95.8	Very high	93.9	Very high	55 Å²	55	61.9 Å²	61.9	57%	0.567	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-12.3	-172.7	0	0	0	0	0	114.6	L78	G7-L78 PolarHBondContact N-O 2.81Å
8	G	96.2	Very high	93.7	Very high	23 Å²	23	63.4 Å²	63.4	24%	0.237	44%	0.442	C	S	.	.			trans	-69.9	179.1	178.1	0	0	0	0	0	114.1	K5 P6 S77 L78	K5-G8 WeakPolarHBondContact O-CA 3.11Å; K5-G8 PolarHBondContact O-N 2.97Å; P6-G8 PolarHBondContact O-N 2.94Å; G8-S77 PolarHBondContact O-N 2.99Å; G8-L78 PolarHBondContact O-N 3.03Å
9	S	96.9	Very high	93.3	Very high	68 Å²	68	62.5 Å²	62.5	48%	0.476	43%	0.43	S	S	.	.			trans	-131.8	147.9	178.4	-61.2	0	0	0	0	110.8	M75 T76	S9-M75 CarbonylContact C-O 3.56Å; S9-M75 WeakPolarHBondContact CA-O 3.49Å; S9-M75 WeakPolarHBondContact CB-O 3.36Å; S9-T76 WeakPolarHBondContact OG-CA 3.16Å
10	L	96.7	Very high	93.3	Very high	42 Å²	42	63.5 Å²	63.5	22%	0.22	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	149.4	175.5	-176.6	72.3	0	0	0	109.8	V4 L12 M75 L78 L108	V4-L10 HydrophobicContact CG2-CB 4.02Å; V4-L10 HydrophobicContact CG2-CD2 4.1Å; V4-L10 HydrophobicContact CG2-CG 4.43Å; L10-L12 HydrophobicContact CD2-CD2 3.8Å; L10-L12 HydrophobicContact CG-CD2 4.45Å; L10-M75 HydrophobicContact CB-CE 3.78Å; L10-M75 HydrophobicContact CD2-CE 3.88Å; L10-M75 HydrophobicContact CG-CE 4.09Å; L10-M75 PolarHBondContact N-O 3.16Å; L10-M75 WeakPolarHBondContact O-CB 3.29Å; L10-M75 PolarHBondContact O-N 3.49Å; L10-L78 HydrophobicContact CB-CD1 4.1Å; L10-L108 HydrophobicContact CD2-CD1 3.43Å; L10-L108 VanDerWaalsContact CD2-CD1 3.43Å
11	K	97.4	Very high	93.3	Very high	108 Å²	108	60.4 Å²	60.4	47%	0.47	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.1	171.2	-168.8	174.5	179.6	178.6	0	110	F72 L73	K11-F72 HydrophobicContact CD-CD1 4.45Å; K11-F72 VanDerWaalsContact CE-CD1 3.44Å; K11-L73 WeakPolarHBondContact CA-O 3.5Å
12	L	97.6	Very high	94.4	Very high	8 Å²	8	59 Å²	59	4%	0.042	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	150.9	168.7	-58.5	179.9	0	0	0	110	L10 W28 F72 L73 M75 Y86 T106	L10-L12 HydrophobicContact CD2-CD2 3.8Å; L10-L12 HydrophobicContact CG-CD2 4.45Å; L12-W28 HydrophobicContact CB-CH2 3.77Å; L12-W28 HydrophobicContact CB-CZ2 4.07Å; L12-W28 HydrophobicContact CB-CZ3 4.36Å; L12-W28 HydrophobicContact CD1-CH2 4.46Å; L12-W28 HydrophobicContact CD1-CZ3 4.22Å; L12-F72 VanDerWaalsContact O-CA 3.24Å; L12-F72 WeakPolarHBondContact O-CA 3.49Å; L12-L73 HydrophobicContact CB-CB 4.35Å; L12-L73 PolarHBondContact N-O 2.9Å; L12-L73 PolarHBondContact O-N 2.79Å; L12-M75 HydrophobicContact CD1-CE 3.87Å; L12-M75 HydrophobicContact CD1-SD 3.95Å; L12-M75 HydrophobicContact CD2-CE 4.15Å; L12-M75 HydrophobicContact CG-CE 3.6Å; L12-M75 HydrophobicContact CG-SD 4.22Å; L12-Y86 HydrophobicContact CD1-CD1 4.03Å; L12-Y86 HydrophobicContact CD1-CD2 4.14Å; L12-Y86 HydrophobicContact CD1-CG 3.66Å; L12-T106 HydrophobicContact CD1-CG2 4.18Å; L12-T106 HydrophobicContact CD2-CG2 4.02Å
13	S	97.3	Very high	94.5	Very high	76 Å²	76	62.3 Å²	62.3	53%	0.531	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.8	172.1	58.7	0	0	0	0	110.7	L71	S13-L71 CarbonylContact C-O 3.41Å; S13-L71 VanDerWaalsContact CA-O 3.27Å; S13-L71 WeakPolarHBondContact CA-O 3.31Å
14	C	96.6	Very high	94.4	Very high	19 Å²	19	58.2 Å²	58.2	13%	0.128	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	111.2	170.9	163.2	0	0	0	0	108.6	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.98Å; C14-W28 HydrophobicContact CB-CZ2 4.03Å; C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.5Å; C14-L71 HydrophobicContact CB-CB 4.34Å; C14-L71 PolarHBondContact N-O 3.06Å; C14-L71 PolarHBondContact O-N 2.94Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.4Å
15	A	96.1	Very high	94.4	Very high	80 Å²	80	57.4 Å²	57.4	66%	0.661	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.5	173.7	0	0	0	0	0	109.1
16	A	92.9	Very high	94.4	Very high	16 Å²	16	51 Å²	51	13%	0.132	35%	0.347	C	S	.	.			trans	-92	142.1	176.8	0	0	0	0	0	110.9	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 4.29Å; A16-F19 HydrophobicContact CB-CZ 3.53Å; A16-F21 HydrophobicContact CB-CB 4.34Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 4.23Å; A16-N69 HydrophobicContact CB-CB 4.47Å; A16-N69 WeakPolarHBondContact CB-O 3.34Å; A16-N69 PolarHBondContact N-O 3.41Å
17	S	92.1	Very high	94.4	Very high	105 Å²	105	48.4 Å²	48.4	73%	0.734	33%	0.329	S	S	*	.			trans	-143.3	158.1	174.6	61.7	0	0	0	0	109.9	F19	S17-F19 WeakPolarHBondContact O-CD1 3.39Å; S17-F19 PolarHBondContact O-N 2.89Å
18	G	90	Very high	94.5	Very high	89 Å²	89	46 Å²	46	92%	0.918	30%	0.303	S	S	*	.	S	Bend	trans	81.8	5.5	178.2	0	0	0	0	0	115.7
19	F	87.7	Confident	94.5	Very high	47 Å²	47	45.1 Å²	45.1	21%	0.206	29%	0.293	C	S	.	.	S	Bend	trans	-157.1	163.4	173.1	64	-84.3	0	0	0	111.9	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 4.29Å; A16-F19 HydrophobicContact CB-CZ 3.53Å; S17-F19 WeakPolarHBondContact O-CD1 3.39Å; S17-F19 PolarHBondContact O-N 2.89Å; F19-F21 HydrophobicContact CE2-CB 4.28Å; F19-F21 HydrophobicContact CE2-CD2 4.15Å; F19-F21 HydrophobicContact CZ-CD2 4.31Å; F19-F21 PolarHBondContact O-N 3.1Å; F19-F21 VanDerWaalsContact O-N 3.09Å; F19-Y24 HydrophobicContact CB-CE2 4.3Å; F19-Y24 AromaticContact CD2-CD2 3.56Å; F19-Y24 HydrophobicContact CD2-CD2 3.56Å; F19-Y24 AromaticContact CD2-CE2 3.72Å; F19-Y24 HydrophobicContact CD2-CE2 3.72Å; F19-Y24 HydrophobicContact CD2-CG 4.37Å; F19-Y24 AromaticContact CE2-CD2 3.98Å; F19-Y24 HydrophobicContact CE2-CD2 3.98Å; F19-Y24 HydrophobicContact CE2-CG 4.45Å; F19-Y24 HydrophobicContact CG-CE2 4.43Å; F19-M26 HydrophobicContact CE2-SD 4.45Å; F19-M26 HydrophobicContact CZ-SD 4.43Å; F19-R90 HydrophobicContact CE2-CG 4.04Å; F19-R90 HydrophobicContact CZ-CG 4.27Å
20	T	92.1	Very high	94.6	Very high	81 Å²	81	42.5 Å²	42.5	50%	0.497	27%	0.273	S	S	.	.			trans	-73.8	94	173.8	-50.4	0	0	0	0	110.2	S22 D23 Y24	T20-S22 WeakPolarHBondContact CG2-OG 3.25Å; T20-S22 PolarHBondContact O-N 2.77Å; T20-S22 VanDerWaalsContact O-N 3.14Å; T20-D23 VanDerWaalsContact CB-OD2 3.26Å; T20-D23 WeakPolarHBondContact CB-OD2 3.5Å; T20-D23 VanDerWaalsContact CG2-OD2 3.27Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.36Å; T20-D23 PolarHBondContact O-N 2.95Å; T20-D23 VanDerWaalsContact O-N 3.07Å; T20-Y24 WeakPolarHBondContact O-CD2 3.36Å; T20-Y24 WeakPolarHBondContact O-CE2 3.36Å
21	F	93.3	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-55.2	-34.4	-173.3	178	-101.9	0	0	0	114.3	A16 F19 D23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.34Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 4.23Å; F19-F21 HydrophobicContact CE2-CB 4.28Å; F19-F21 HydrophobicContact CE2-CD2 4.15Å; F19-F21 HydrophobicContact CZ-CD2 4.31Å; F19-F21 PolarHBondContact O-N 3.1Å; F19-F21 VanDerWaalsContact O-N 3.09Å; F21-D23 PolarHBondContact O-N 2.91Å; F21-Y24 PolarHBondContact O-N 3.48Å; F21-M26 HydrophobicContact CD2-CE 4.48Å; F21-M26 HydrophobicContact CD2-CG 4.27Å; F21-M26 HydrophobicContact CD2-SD 4.03Å; F21-M26 HydrophobicContact CE2-CE 3.95Å; F21-M26 HydrophobicContact CE2-CG 3.54Å; F21-M26 HydrophobicContact CE2-SD 3.74Å; F21-M26 HydrophobicContact CZ-CG 3.92Å; F21-R64 VanDerWaalsContact CD1-NH2 3.32Å; F21-R64 HydrophobicContact CE1-CB 4.1Å; F21-R64 VanDerWaalsContact CE1-NH2 3.3Å; F21-R64 HydrophobicContact CZ-CB 4.15Å; F21-R64 PolarHBondContact O-NH2 3Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.02Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.07Å; F21-N69 HydrophobicContact CB-CB 3.84Å; F21-N69 WeakPolarHBondContact CB-OD1 3.33Å; F21-N69 HydrophobicContact CG-CB 4.18Å; F21-L71 HydrophobicContact CE2-CB 4.36Å; F21-L71 HydrophobicContact CZ-CB 4.17Å
22	S	93.6	Very high	94.4	Very high	45 Å²	45	39.8 Å²	39.8	32%	0.315	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22	179.4	53	0	0	0	0	114.1	T20 Y24 S45	T20-S22 WeakPolarHBondContact CG2-OG 3.25Å; T20-S22 PolarHBondContact O-N 2.77Å; T20-S22 VanDerWaalsContact O-N 3.14Å; S22-Y24 VanDerWaalsContact C-N 3.3Å; S22-Y24 PolarHBondContact O-N 3.14Å; S22-S45 WeakPolarHBondContact O-CB 3.24Å
23	D	91.8	Very high	94	Very high	94 Å²	94	45.2 Å²	45.2	50%	0.503	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-85	-9.2	-172.8	-59.7	-9.2	0	0	0	112.4	T20 F21	T20-D23 VanDerWaalsContact CB-OD2 3.26Å; T20-D23 WeakPolarHBondContact CB-OD2 3.5Å; T20-D23 VanDerWaalsContact CG2-OD2 3.27Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.36Å; T20-D23 PolarHBondContact O-N 2.95Å; T20-D23 VanDerWaalsContact O-N 3.07Å; F21-D23 PolarHBondContact O-N 2.91Å
24	Y	91.8	Very high	93.6	Very high	40 Å²	40	50.7 Å²	50.7	16%	0.157	32%	0.316	C	S	.	.	S	Bend	trans	-119.8	148.2	-170.5	-59.9	-95.9	0	0	0	112.9	F19 T20 F21 S22 S45 R64 R90 Y92	F19-Y24 HydrophobicContact CB-CE2 4.3Å; F19-Y24 AromaticContact CD2-CD2 3.56Å; F19-Y24 HydrophobicContact CD2-CD2 3.56Å; F19-Y24 AromaticContact CD2-CE2 3.72Å; F19-Y24 HydrophobicContact CD2-CE2 3.72Å; F19-Y24 HydrophobicContact CD2-CG 4.37Å; F19-Y24 AromaticContact CE2-CD2 3.98Å; F19-Y24 HydrophobicContact CE2-CD2 3.98Å; F19-Y24 HydrophobicContact CE2-CG 4.45Å; F19-Y24 HydrophobicContact CG-CE2 4.43Å; T20-Y24 WeakPolarHBondContact O-CD2 3.36Å; T20-Y24 WeakPolarHBondContact O-CE2 3.36Å; F21-Y24 PolarHBondContact O-N 3.48Å; S22-Y24 VanDerWaalsContact C-N 3.3Å; S22-Y24 PolarHBondContact O-N 3.14Å; Y24-S45 WeakPolarHBondContact O-CA 3.47Å; Y24-R64 PolarHBondContact O-NH1 3.26Å; Y24-R90 HydrophobicContact CD1-CG 3.55Å; Y24-R90 VanDerWaalsContact CD1-NE 3.32Å; Y24-R90 HydrophobicContact CD2-CG 4.38Å; Y24-R90 HydrophobicContact CE1-CG 4.4Å; Y24-R90 VanDerWaalsContact CE1-NE 3.29Å; Y24-R90 HydrophobicContact CG-CG 3.53Å; Y24-Y92 AromaticContact CD1-CD2 3.79Å; Y24-Y92 HydrophobicContact CD1-CD2 3.79Å; Y24-Y92 HydrophobicContact CD1-CG 4.39Å; Y24-Y92 AromaticContact CE1-CD2 3.36Å; Y24-Y92 HydrophobicContact CE1-CD2 3.36Å; Y24-Y92 HydrophobicContact CE1-CE2 4.27Å; Y24-Y92 HydrophobicContact CE1-CG 4.07Å
25	G	93.8	Very high	93.2	Very high	4 Å²	4	55.4 Å²	55.4	4%	0.041	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	152.8	161	0	0	0	0	0	110	I43 D91	G25-I43 WeakPolarHBondContact CA-O 3.16Å; G25-D91 PolarHBondContact N-O 3Å; G25-D91 PolarHBondContact O-N 2.81Å
26	M	95.9	Very high	93.1	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.02	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.2	-175.4	-63	-60.4	-55.9	0	0	110.9	F19 F21 Y42 I43 L71 R90	F19-M26 HydrophobicContact CE2-SD 4.45Å; F19-M26 HydrophobicContact CZ-SD 4.43Å; F21-M26 HydrophobicContact CD2-CE 4.48Å; F21-M26 HydrophobicContact CD2-CG 4.27Å; F21-M26 HydrophobicContact CD2-SD 4.03Å; F21-M26 HydrophobicContact CE2-CE 3.95Å; F21-M26 HydrophobicContact CE2-CG 3.54Å; F21-M26 HydrophobicContact CE2-SD 3.74Å; F21-M26 HydrophobicContact CZ-CG 3.92Å; M26-Y42 CarbonylContact O-C 3.52Å; M26-Y42 WeakPolarHBondContact O-CA 3.24Å; M26-Y42 WeakPolarHBondContact O-CD2 3.46Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 2.73Å; M26-I43 PolarHBondContact O-N 3.19Å; M26-L71 HydrophobicContact CB-CD1 3.65Å; M26-L71 HydrophobicContact CB-CD2 3.85Å; M26-L71 HydrophobicContact CB-CG 4.3Å; M26-L71 HydrophobicContact CE-CD2 4.43Å; M26-L71 HydrophobicContact CG-CD1 4.35Å; M26-R90 HydrophobicContact CE-CB 4.33Å; M26-R90 HydrophobicContact SD-CB 4.01Å; M26-R90 HydrophobicContact SD-CG 3.91Å
27	H	96.8	Very high	93.1	Very high	13 Å²	13	57.9 Å²	57.9	6%	0.06	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.7	-177	-64.5	-86.3	0	0	0	111.9	W39 A41 Y42 C88 A89 D91 F99	H27-W39 AromaticContact CE1-NE1 3.69Å; H27-W39 AromaticContact ND1-CD1 3.77Å; H27-W39 AromaticContact ND1-NE1 3.03Å; H27-W39 PolarHBondContact ND1-NE1 2.96Å; H27-A41 CarbonylContact C-O 3.53Å; H27-A41 VanDerWaalsContact CA-O 3.27Å; H27-A41 WeakPolarHBondContact CA-O 3.23Å; H27-Y42 AromaticContact CD2-CD2 3.9Å; H27-Y42 AromaticContact CE1-CD2 3.07Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.49Å; H27-Y42 AromaticContact CE1-CE2 3.78Å; H27-Y42 AromaticContact CE1-CG 3.71Å; H27-Y42 AromaticContact CG-CD2 3.94Å; H27-Y42 AromaticContact ND1-CD2 3.42Å; H27-Y42 WeakPolarHBondContact ND1-CD2 3.15Å; H27-Y42 AromaticContact ND1-CG 3.92Å; H27-Y42 AromaticContact NE2-CD2 3.35Å; H27-Y42 VanDerWaalsContact NE2-CD2 3.35Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.32Å; H27-Y42 AromaticContact NE2-CE2 3.66Å; H27-C88 CarbonylContact O-C 3.49Å; H27-C88 VanDerWaalsContact O-CA 3.25Å; H27-C88 WeakPolarHBondContact O-CA 3.08Å; H27-A89 PolarHBondContact N-O 3.07Å; H27-A89 PolarHBondContact O-N 3.21Å; H27-D91 WeakPolarHBondContact NE2-CB 3.2Å; H27-D91 IonicContact NE2-OD2 3.29Å; H27-F99 HydrophobicContact CB-CD1 4.34Å; H27-F99 HydrophobicContact CB-CE1 3.6Å; H27-F99 AromaticContact CD2-CD1 3.88Å; H27-F99 AromaticContact CD2-CE1 3.32Å; H27-F99 WeakPolarHBondContact CD2-CE1 3.44Å; H27-F99 AromaticContact CD2-CZ 3.95Å; H27-F99 AromaticContact CE1-CZ 3.91Å; H27-F99 AromaticContact CG-CE1 3.3Å; H27-F99 AromaticContact CG-CZ 3.94Å; H27-F99 AromaticContact ND1-CE1 3.78Å; H27-F99 AromaticContact ND1-CZ 3.95Å; H27-F99 AromaticContact NE2-CE1 3.8Å; H27-F99 AromaticContact NE2-CZ 3.95Å
28	W	97.8	Very high	93.3	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.011	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.8	155.4	-77.6	97.5	0	0	0	109.6	L12 C14 V40 A41 L71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.77Å; L12-W28 HydrophobicContact CB-CZ2 4.07Å; L12-W28 HydrophobicContact CB-CZ3 4.36Å; L12-W28 HydrophobicContact CD1-CH2 4.46Å; L12-W28 HydrophobicContact CD1-CZ3 4.22Å; C14-W28 HydrophobicContact CB-CH2 3.98Å; C14-W28 HydrophobicContact CB-CZ2 4.03Å; W28-V40 HydrophobicContact CB-CB 4.09Å; W28-V40 HydrophobicContact CB-CG1 4.45Å; W28-V40 WeakPolarHBondContact O-CA 3.3Å; W28-V40 WeakPolarHBondContact O-CB 3.36Å; W28-V40 PolarHBondContact O-N 3.38Å; W28-A41 PolarHBondContact N-O 2.93Å; W28-A41 PolarHBondContact O-N 2.93Å; W28-L71 HydrophobicContact CD2-CD2 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.35Å; W28-L71 HydrophobicContact CZ2-CD2 4.43Å; W28-L71 VanDerWaalsContact NE1-CD2 3.28Å; W28-L73 HydrophobicContact CB-CD2 4.2Å; W28-L73 HydrophobicContact CD2-CB 4.1Å; W28-L73 HydrophobicContact CD2-CD2 4.18Å; W28-L73 HydrophobicContact CG-CB 4.16Å; W28-L73 HydrophobicContact CG-CD1 4.37Å; W28-L73 HydrophobicContact CG-CD2 3.97Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.24Å; W28-Y87 WeakPolarHBondContact CA-O 3.33Å; W28-C88 HydrophobicContact CZ3-CB 4.49Å
29	V	97.4	Very high	93.6	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.2	175.3	-177.7	0	0	0	0	107	L37 E38 Y86 Y87 F99 W102	V29-L37 HydrophobicContact CG1-CB 3.89Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.41Å; V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.5Å; V29-Y87 PolarHBondContact N-O 3.16Å; V29-Y87 PolarHBondContact O-N 2.82Å; V29-F99 HydrophobicContact CG2-CE1 4.24Å; V29-W102 HydrophobicContact CB-CH2 3.96Å; V29-W102 HydrophobicContact CB-CZ3 3.67Å; V29-W102 HydrophobicContact CG1-CH2 3.83Å; V29-W102 HydrophobicContact CG1-CZ3 3.77Å; V29-W102 HydrophobicContact CG2-CH2 3.75Å; V29-W102 HydrophobicContact CG2-CZ3 3.86Å
30	R	97.3	Very high	94.1	Very high	14 Å²	14	53.1 Å²	53.1	5%	0.053	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	156.3	176.1	73.4	-178.7	-176.7	-178.6	3.6	112.1	E38 V40 D82 A84 M85 Y86	R30-E38 HydrophobicContact CG-CB 4.04Å; R30-E38 IonicContact CZ-OE2 3.1Å; R30-E38 PolarHBondContact N-O 2.88Å; R30-E38 IonicContact NE-OE2 2.96Å; R30-E38 PolarHBondContact NE-OE2 2.86Å; R30-E38 IonicContact NH2-OE2 3Å; R30-E38 PolarHBondContact NH2-OE2 2.94Å; R30-E38 VanDerWaalsContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact O-N 3.29Å; R30-V40 HydrophobicContact CB-CG2 3.87Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; R30-D82 IonicContact NH1-OD1 3.8Å; R30-D82 PolarHBondContact NH1-OD1 2.84Å; R30-A84 HydrophobicContact CB-CB 3.89Å; R30-A84 HydrophobicContact CG-CB 4.23Å; R30-M85 CarbonylContact C-O 3.42Å; R30-M85 WeakPolarHBondContact CA-O 3.46Å; R30-Y86 HydrophobicContact CB-CD1 3.79Å; R30-Y86 HydrophobicContact CB-CD2 4.38Å; R30-Y86 HydrophobicContact CB-CE1 3.73Å; R30-Y86 HydrophobicContact CB-CE2 4.32Å; R30-Y86 HydrophobicContact CB-CG 4.11Å; R30-Y86 WeakPolarHBondContact CD-OH 3.46Å; R30-Y86 HydrophobicContact CG-CE1 4.38Å; R30-Y86 PolarHBondContact NH1-OH 3.28Å
31	Q	96.9	Very high	94.4	Very high	77 Å²	77	49.3 Å²	49.3	36%	0.36	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	112.6	173.9	-168	177.3	16.6	0	0	109.6	K35 L37 A84 M85 Y87	Q31-K35 VanDerWaalsContact CG-O 3.29Å; Q31-K35 WeakPolarHBondContact CG-O 3.46Å; Q31-K35 PolarHBondContact NE2-O 3.02Å; Q31-L37 HydrophobicContact CB-CD2 4.11Å; Q31-A84 WeakPolarHBondContact O-CA 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.38Å; Q31-M85 PolarHBondContact N-O 3.02Å; Q31-M85 PolarHBondContact O-N 3.11Å; Q31-Y87 HydrophobicContact CB-CE2 3.96Å
32	A	94.8	Very high	94.5	Very high	16 Å²	16	50 Å²	50	13%	0.132	26%	0.264	C	S	.	.			trans	-78.2	155.2	171.5	0	0	0	0	0	110.1	E34 K35 A84	A32-E34 PolarHBondContact O-N 3.08Å; A32-K35 HydrophobicContact CB-CB 4.09Å; A32-K35 HydrophobicContact CB-CD 4.19Å; A32-K35 HydrophobicContact CB-CG 4.11Å; A32-K35 PolarHBondContact O-N 3.44Å; A32-A84 HydrophobicContact CB-CB 4.47Å
33	P	87.3	Confident	94.7	Very high	121 Å²	121	48 Å²	48	79%	0.786	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24	-172.9	-29.4	36.1	0	0	0	116.4
34	E	89.1	Confident	94.9	Very high	192 Å²	192	43.9 Å²	43.9	90%	0.897	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.6	14.7	-178.5	-60.2	-177.9	172	0	0	112.8	A32	A32-E34 PolarHBondContact O-N 3.08Å
35	K	89.6	Confident	94.9	Very high	117 Å²	117	44.2 Å²	44.2	51%	0.509	24%	0.236	S	C	.	.	S	Bend	trans	-125.4	159.2	-176.5	-61.1	-166.6	-180	-176.5	0	112.2	Q31 A32 E38	Q31-K35 VanDerWaalsContact CG-O 3.29Å; Q31-K35 WeakPolarHBondContact CG-O 3.46Å; Q31-K35 PolarHBondContact NE2-O 3.02Å; A32-K35 HydrophobicContact CB-CB 4.09Å; A32-K35 HydrophobicContact CB-CD 4.19Å; A32-K35 HydrophobicContact CB-CG 4.11Å; A32-K35 PolarHBondContact O-N 3.44Å; K35-E38 WeakPolarHBondContact CD-OE1 3.24Å; K35-E38 IonicContact NZ-OE1 3.52Å; K35-E38 PolarHBondContact NZ-OE1 2.81Å; K35-E38 VanDerWaalsContact NZ-OE1 3.16Å
36	G	92.6	Very high	94.9	Very high	49 Å²	49	46.7 Å²	46.7	51%	0.505	26%	0.262	S	S	.	.			trans	-69.6	-176.2	166.6	0	0	0	0	0	112.4	E38	G36-E38 PolarHBondContact O-N 2.8Å
37	L	94.4	Very high	94.8	Very high	99 Å²	99	49.1 Å²	49.1	52%	0.518	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	125	172.8	-69.3	167	0	0	0	110.2	V29 Q31 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.89Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.41Å; Q31-L37 HydrophobicContact CB-CD2 4.11Å; L37-Y87 HydrophobicContact CD2-CD2 4.22Å; L37-Y87 HydrophobicContact CD2-CE2 4.2Å; L37-W102 HydrophobicContact CD1-CH2 3.95Å; L37-W102 HydrophobicContact CD1-CZ3 4.28Å; L37-W102 HydrophobicContact CD2-CH2 4.45Å; L37-W102 HydrophobicContact CD2-CZ3 4.1Å
38	E	95.8	Very high	94.7	Very high	50 Å²	50	53.5 Å²	53.5	23%	0.234	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.2	175	-66.4	-177.5	170.9	0	0	109.2	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; R30-E38 HydrophobicContact CG-CB 4.04Å; R30-E38 IonicContact CZ-OE2 3.1Å; R30-E38 PolarHBondContact N-O 2.88Å; R30-E38 IonicContact NE-OE2 2.96Å; R30-E38 PolarHBondContact NE-OE2 2.86Å; R30-E38 IonicContact NH2-OE2 3Å; R30-E38 PolarHBondContact NH2-OE2 2.94Å; R30-E38 VanDerWaalsContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact O-N 3.29Å; K35-E38 WeakPolarHBondContact CD-OE1 3.24Å; K35-E38 IonicContact NZ-OE1 3.52Å; K35-E38 PolarHBondContact NZ-OE1 2.81Å; K35-E38 VanDerWaalsContact NZ-OE1 3.16Å; G36-E38 PolarHBondContact O-N 2.8Å
39	W	96.3	Very high	94.6	Very high	91 Å²	91	55.5 Å²	55.5	35%	0.345	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	137.6	172.7	178.8	92	0	0	0	110.9	H27 A53	H27-W39 AromaticContact CE1-NE1 3.69Å; H27-W39 AromaticContact ND1-CD1 3.77Å; H27-W39 AromaticContact ND1-NE1 3.03Å; H27-W39 PolarHBondContact ND1-NE1 2.96Å; W39-A53 HydrophobicContact CE3-CB 3.88Å; W39-A53 HydrophobicContact CZ3-CB 3.97Å; W39-A53 WeakPolarHBondContact O-CB 2.89Å
40	V	97.6	Very high	94.6	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-52.7	-173.4	178.2	0	0	0	0	111.9	W28 R30 A53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.09Å; W28-V40 HydrophobicContact CB-CG1 4.45Å; W28-V40 WeakPolarHBondContact O-CA 3.3Å; W28-V40 WeakPolarHBondContact O-CB 3.36Å; W28-V40 PolarHBondContact O-N 3.38Å; R30-V40 HydrophobicContact CB-CG2 3.87Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; V40-A53 PolarHBondContact O-N 3.09Å; V40-V56 HydrophobicContact CG1-CG1 4.33Å; V40-V56 HydrophobicContact CG1-CG2 3.99Å; V40-V56 WeakPolarHBondContact O-CG2 3.39Å; V40-F60 HydrophobicContact CG1-CD2 3.83Å; V40-F60 HydrophobicContact CG1-CE2 4.28Å; V40-L73 HydrophobicContact CG1-CD2 4.14Å; V40-Y86 HydrophobicContact CG2-CE1 4.33Å
41	A	97.9	Very high	94.6	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	159.6	-176	0	0	0	0	0	112.1	H27 W28 Y51 Y52 I62 L73	H27-A41 CarbonylContact C-O 3.53Å; H27-A41 VanDerWaalsContact CA-O 3.27Å; H27-A41 WeakPolarHBondContact CA-O 3.23Å; W28-A41 PolarHBondContact N-O 2.93Å; W28-A41 PolarHBondContact O-N 2.93Å; A41-Y51 CarbonylContact C-O 3.53Å; A41-Y51 VanDerWaalsContact CA-O 3.24Å; A41-Y51 WeakPolarHBondContact CA-O 3.38Å; A41-Y52 HydrophobicContact CB-CD1 3.75Å; A41-Y52 HydrophobicContact CB-CE1 4.06Å; A41-I62 HydrophobicContact CB-CB 4.02Å; A41-I62 HydrophobicContact CB-CD1 3.99Å; A41-I62 HydrophobicContact CB-CG2 4.16Å; A41-L73 HydrophobicContact CB-CD1 4.43Å
42	Y	96.9	Very high	94.7	Very high	15 Å²	15	63.7 Å²	63.7	6%	0.059	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.8	174.3	169.9	-104.7	0	0	0	111.4	M26 H27 T49 I50 Y51	M26-Y42 CarbonylContact O-C 3.52Å; M26-Y42 WeakPolarHBondContact O-CA 3.24Å; M26-Y42 WeakPolarHBondContact O-CD2 3.46Å; H27-Y42 AromaticContact CD2-CD2 3.9Å; H27-Y42 AromaticContact CE1-CD2 3.07Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.49Å; H27-Y42 AromaticContact CE1-CE2 3.78Å; H27-Y42 AromaticContact CE1-CG 3.71Å; H27-Y42 AromaticContact CG-CD2 3.94Å; H27-Y42 AromaticContact ND1-CD2 3.42Å; H27-Y42 WeakPolarHBondContact ND1-CD2 3.15Å; H27-Y42 AromaticContact ND1-CG 3.92Å; H27-Y42 AromaticContact NE2-CD2 3.35Å; H27-Y42 VanDerWaalsContact NE2-CD2 3.35Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.32Å; H27-Y42 AromaticContact NE2-CE2 3.66Å; Y42-T49 HydrophobicContact CE1-CG2 4.36Å; Y42-I50 VanDerWaalsContact O-CA 3.31Å; Y42-I50 WeakPolarHBondContact O-CA 3.48Å; Y42-I50 WeakPolarHBondContact O-CG2 3.47Å; Y42-Y51 AromaticContact CD1-CD2 3.68Å; Y42-Y51 HydrophobicContact CD1-CD2 3.68Å; Y42-Y51 HydrophobicContact CD1-CE2 4.25Å; Y42-Y51 HydrophobicContact CE1-CD2 4.38Å; Y42-Y51 PolarHBondContact N-O 2.91Å; Y42-Y51 PolarHBondContact O-N 3.06Å
43	I	97.1	Very high	94.8	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.015	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.9	168.3	-172.7	160.1	0	0	0	110.3	G25 M26 T49 I50 I62 R64 L71	G25-I43 WeakPolarHBondContact CA-O 3.16Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 2.73Å; M26-I43 PolarHBondContact O-N 3.19Å; I43-T49 WeakPolarHBondContact CA-O 3.44Å; I43-I50 HydrophobicContact CB-CG1 4.44Å; I43-I50 HydrophobicContact CD1-CD1 4.01Å; I43-I50 HydrophobicContact CD1-CG1 4.17Å; I43-I50 HydrophobicContact CG1-CD1 4.38Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I43-I62 HydrophobicContact CB-CD1 4.01Å; I43-I62 HydrophobicContact CB-CG1 4.24Å; I43-I62 HydrophobicContact CB-CG2 4.09Å; I43-I62 HydrophobicContact CG2-CD1 3.63Å; I43-I62 HydrophobicContact CG2-CG1 3.91Å; I43-R64 HydrophobicContact CD1-CB 4.47Å; I43-R64 HydrophobicContact CD1-CG 3.87Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; I43-L71 HydrophobicContact CG2-CD1 3.56Å
44	S	94.9	Very high	95.3	Very high	7 Å²	7	64.5 Å²	64.5	5%	0.049	35%	0.354	C	S	.	.			trans	-68.9	165.9	176.7	66.5	0	0	0	0	112.6	G46 S47 S48 T49 R64	S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3.12Å; S44-S47 PolarHBondContact O-N 2.92Å; S44-S47 PolarHBondContact OG-N 2.87Å; S44-S48 PolarHBondContact OG-N 3.36Å; S44-S48 PolarHBondContact OG-OG 3.37Å; S44-T49 PolarHBondContact N-O 3.2Å; S44-T49 PolarHBondContact OG-N 2.98Å; S44-T49 VanDerWaalsContact OG-N 3.13Å; S44-R64 WeakPolarHBondContact O-CD 3.48Å; S44-R64 PolarHBondContact O-NH1 2.88Å
45	S	93.6	Very high	95.6	Very high	48 Å²	48	59.4 Å²	59.4	34%	0.336	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-48.9	174.1	44.1	0	0	0	0	113.2	S22 Y24 R64 N66	S22-S45 WeakPolarHBondContact O-CB 3.24Å; Y24-S45 WeakPolarHBondContact O-CA 3.47Å; S45-R64 VanDerWaalsContact O-CZ 3.28Å; S45-R64 PolarHBondContact O-NE 2.84Å; S45-R64 PolarHBondContact O-NH1 2.81Å; S45-N66 PolarHBondContact O-ND2 2.68Å
46	G	91.9	Very high	95.9	Very high	56 Å²	56	53.9 Å²	53.9	58%	0.577	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	5.8	-179.6	0	0	0	0	0	115.3	S44 S48	S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3.12Å; G46-S48 PolarHBondContact O-N 2.99Å
47	S	95.2	Very high	96	Very high	54 Å²	54	58.2 Å²	58.2	38%	0.378	32%	0.317	S	S	.	.	S	Bend	trans	59.3	11.6	-175.2	-50.2	0	0	0	0	115.4	S44 T49 R64	S44-S47 PolarHBondContact O-N 2.92Å; S44-S47 PolarHBondContact OG-N 2.87Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact O-N 3.04Å; S47-R64 WeakPolarHBondContact OG-CD 3.27Å; S47-R64 WeakPolarHBondContact OG-CG 3.25Å
48	S	95	Very high	96.1	Very high	105 Å²	105	57.3 Å²	57.3	73%	0.734	33%	0.332	S	S	*	.			trans	-73.8	-22.3	179.6	58.8	0	0	0	0	113.2	S44 G46	S44-S48 PolarHBondContact OG-N 3.36Å; S44-S48 PolarHBondContact OG-OG 3.37Å; G46-S48 PolarHBondContact O-N 2.99Å
49	T	95.7	Very high	96.2	Very high	45 Å²	45	56 Å²	56	28%	0.276	33%	0.325	S	S	.	.			trans	-128.8	124.7	-176.3	-54.8	0	0	0	0	108.7	Y42 I43 S44 S47 Y51	Y42-T49 HydrophobicContact CE1-CG2 4.36Å; I43-T49 WeakPolarHBondContact CA-O 3.44Å; S44-T49 PolarHBondContact N-O 3.2Å; S44-T49 PolarHBondContact OG-N 2.98Å; S44-T49 VanDerWaalsContact OG-N 3.13Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact O-N 3.04Å; T49-Y51 HydrophobicContact CG2-CD2 4.03Å; T49-Y51 HydrophobicContact CG2-CE1 4.3Å; T49-Y51 HydrophobicContact CG2-CE2 3.26Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.42Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.17Å
50	I	97.5	Very high	96.3	Very high	67 Å²	67	51.9 Å²	51.9	34%	0.344	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.4	-179.9	-60.1	178.8	0	0	0	108.5	Y42 I43 Y52 I62	Y42-I50 VanDerWaalsContact O-CA 3.31Å; Y42-I50 WeakPolarHBondContact O-CA 3.48Å; Y42-I50 WeakPolarHBondContact O-CG2 3.47Å; I43-I50 HydrophobicContact CB-CG1 4.44Å; I43-I50 HydrophobicContact CD1-CD1 4.01Å; I43-I50 HydrophobicContact CD1-CG1 4.17Å; I43-I50 HydrophobicContact CG1-CD1 4.38Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I50-Y52 HydrophobicContact CG2-CD2 4.16Å; I50-Y52 HydrophobicContact CG2-CE1 4.28Å; I50-Y52 HydrophobicContact CG2-CE2 3.37Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.19Å; I50-I62 HydrophobicContact CG2-CG2 3.51Å
51	Y	97.5	Very high	96.4	Very high	141 Å²	141	55.4 Å²	55.4	55%	0.553	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.8	174.8	-58	-65.6	0	0	0	110.6	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.53Å; A41-Y51 VanDerWaalsContact CA-O 3.24Å; A41-Y51 WeakPolarHBondContact CA-O 3.38Å; Y42-Y51 AromaticContact CD1-CD2 3.68Å; Y42-Y51 HydrophobicContact CD1-CD2 3.68Å; Y42-Y51 HydrophobicContact CD1-CE2 4.25Å; Y42-Y51 HydrophobicContact CE1-CD2 4.38Å; Y42-Y51 PolarHBondContact N-O 2.91Å; Y42-Y51 PolarHBondContact O-N 3.06Å; T49-Y51 HydrophobicContact CG2-CD2 4.03Å; T49-Y51 HydrophobicContact CG2-CE1 4.3Å; T49-Y51 HydrophobicContact CG2-CE2 3.26Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.42Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.17Å
52	Y	98.3	Very high	96.4	Very high	61 Å²	61	55.6 Å²	55.6	24%	0.239	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.8	179	-62.1	-79.2	0	0	0	109.8	A41 I50 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.75Å; A41-Y52 HydrophobicContact CB-CE1 4.06Å; I50-Y52 HydrophobicContact CG2-CD2 4.16Å; I50-Y52 HydrophobicContact CG2-CE1 4.28Å; I50-Y52 HydrophobicContact CG2-CE2 3.37Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.19Å; Y52-F60 WeakPolarHBondContact CE1-O 3.23Å; Y52-T61 WeakPolarHBondContact OH-CA 3.35Å; Y52-I62 HydrophobicContact CE1-CB 4.26Å; Y52-I62 HydrophobicContact CE1-CG2 3.83Å; Y52-I62 PolarHBondContact OH-N 2.75Å
53	A	97.4	Very high	96.5	Very high	16 Å²	16	56.9 Å²	56.9	13%	0.132	34%	0.343	C	S	.	.			trans	-67.5	144.9	168.2	0	0	0	0	0	109.9	W39 V40 T55 V56 K57	W39-A53 HydrophobicContact CE3-CB 3.88Å; W39-A53 HydrophobicContact CZ3-CB 3.97Å; W39-A53 WeakPolarHBondContact O-CB 2.89Å; V40-A53 PolarHBondContact O-N 3.09Å; A53-T55 PolarHBondContact O-N 3.28Å; A53-T55 VanDerWaalsContact O-N 3.11Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 WeakPolarHBondContact O-CG2 2.87Å; A53-V56 PolarHBondContact O-N 2.77Å; A53-K57 PolarHBondContact O-N 3.04Å
54	D	96.9	Very high	96.5	Very high	137 Å²	137	58 Å²	58	73%	0.733	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.5	-177.7	-68.9	-35.1	0	0	0	112.6	V56	D54-V56 PolarHBondContact O-N 3.34Å
55	T	94.6	Very high	96.6	Very high	86 Å²	86	59.8 Å²	59.8	53%	0.528	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22	178.3	55.6	0	0	0	0	114.2	A53 R59	A53-T55 PolarHBondContact O-N 3.28Å; A53-T55 VanDerWaalsContact O-N 3.11Å; T55-R59 PolarHBondContact O-NH2 3.35Å; T55-R59 VanDerWaalsContact O-NH2 3.08Å
56	V	96.7	Very high	96.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-6.8	-176.2	-57.4	0	0	0	0	113.4	V40 A53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.33Å; V40-V56 HydrophobicContact CG1-CG2 3.99Å; V40-V56 WeakPolarHBondContact O-CG2 3.39Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 WeakPolarHBondContact O-CG2 2.87Å; A53-V56 PolarHBondContact O-N 2.77Å; D54-V56 PolarHBondContact O-N 3.34Å; V56-G58 PolarHBondContact O-N 3.39Å; V56-R59 PolarHBondContact O-N 3.09Å; V56-F60 HydrophobicContact CB-CB 4.07Å; V56-F60 HydrophobicContact CB-CD1 4.34Å; V56-F60 HydrophobicContact CB-CD2 3.57Å; V56-F60 HydrophobicContact CB-CE2 4.01Å; V56-F60 HydrophobicContact CB-CG 3.74Å; V56-F60 HydrophobicContact CG1-CD2 3.6Å; V56-F60 HydrophobicContact CG1-CE2 3.52Å; V56-F60 HydrophobicContact CG1-CG 4.22Å; V56-F60 HydrophobicContact CG1-CZ 4.07Å; V56-F60 HydrophobicContact CG2-CB 4.29Å; V56-F60 HydrophobicContact CG2-CD2 4.1Å; V56-F60 HydrophobicContact CG2-CG 4.38Å; V56-F60 PolarHBondContact O-N 3.03Å
57	K	95.6	Very high	96.9	Very high	140 Å²	140	62.4 Å²	62.4	61%	0.609	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	131.2	-179.3	-165.3	173.9	-173.9	175.5	0	110.7	A53 R59	A53-K57 PolarHBondContact O-N 3.04Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 3.28Å
58	G	96.6	Very high	97	Very high	81 Å²	81	66.5 Å²	66.5	84%	0.835	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-5.8	-176.9	0	0	0	0	0	115.3	V56	V56-G58 PolarHBondContact O-N 3.39Å
59	R	97.9	Very high	97.1	Very high	23 Å²	23	64.5 Å²	64.5	9%	0.087	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-36.9	176.3	-59.4	-169.7	-58.3	117.4	-0.1	112.4	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 3.35Å; T55-R59 VanDerWaalsContact O-NH2 3.08Å; V56-R59 PolarHBondContact O-N 3.09Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 3.28Å; R59-T76 PolarHBondContact O-N 3.21Å; R59-T76 PolarHBondContact O-OG1 2.83Å; R59-S77 PolarHBondContact NH1-O 2.02Å; R59-D82 IonicContact CZ-OD1 2.93Å; R59-D82 IonicContact CZ-OD2 3.36Å; R59-D82 IonicContact NH1-OD1 2.68Å; R59-D82 IonicContact NH1-OD2 3.47Å; R59-D82 PolarHBondContact NH1-OD2 2.99Å; R59-D82 IonicContact NH2-OD1 3.73Å; R59-D82 PolarHBondContact NH2-OD1 2.98Å; R59-D82 IonicContact NH2-OD2 3.84Å; R59-D82 PolarHBondContact NH2-OD2 2.76Å
60	F	98.3	Very high	97.2	Very high	3 Å²	3	63.2 Å²	63.2	1%	0.013	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.1	-176.7	-66.2	9.6	0	0	0	110.3	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.83Å; V40-F60 HydrophobicContact CG1-CE2 4.28Å; Y52-F60 WeakPolarHBondContact CE1-O 3.23Å; V56-F60 HydrophobicContact CB-CB 4.07Å; V56-F60 HydrophobicContact CB-CD1 4.34Å; V56-F60 HydrophobicContact CB-CD2 3.57Å; V56-F60 HydrophobicContact CB-CE2 4.01Å; V56-F60 HydrophobicContact CB-CG 3.74Å; V56-F60 HydrophobicContact CG1-CD2 3.6Å; V56-F60 HydrophobicContact CG1-CE2 3.52Å; V56-F60 HydrophobicContact CG1-CG 4.22Å; V56-F60 HydrophobicContact CG1-CZ 4.07Å; V56-F60 HydrophobicContact CG2-CB 4.29Å; V56-F60 HydrophobicContact CG2-CD2 4.1Å; V56-F60 HydrophobicContact CG2-CG 4.38Å; V56-F60 PolarHBondContact O-N 3.03Å; F60-L73 HydrophobicContact CB-CD1 4.19Å; F60-L73 HydrophobicContact CD2-CD2 4.08Å; F60-L73 HydrophobicContact CD2-CG 4.46Å; F60-Q74 CarbonylContact C-O 3.47Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.19Å; F60-M75 HydrophobicContact CD1-CB 3.74Å; F60-M75 HydrophobicContact CD1-CG 3.93Å; F60-M75 HydrophobicContact CD2-CG 3.99Å; F60-M75 HydrophobicContact CE1-CB 3.67Å; F60-M75 HydrophobicContact CE1-CG 3.97Å; F60-M75 HydrophobicContact CE2-CG 3.99Å; F60-M75 HydrophobicContact CE2-SD 4.1Å; F60-M75 HydrophobicContact CG-CB 4.29Å; F60-M75 HydrophobicContact CG-CG 3.98Å; F60-M75 HydrophobicContact CZ-CB 4.11Å; F60-M75 HydrophobicContact CZ-CG 3.99Å; F60-M75 HydrophobicContact CZ-SD 4.17Å; F60-L78 HydrophobicContact CE1-CD2 3.96Å; F60-L78 HydrophobicContact CZ-CD2 3.97Å; F60-D82 HydrophobicContact CZ-CB 4.22Å; F60-Y86 HydrophobicContact CE2-CE1 4.28Å
61	T	98.5	Very high	97.2	Very high	76 Å²	76	60 Å²	60	47%	0.466	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.4	178	-55.1	0	0	0	0	109.2	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.35Å; T61-Q74 PolarHBondContact N-O 3.02Å; T61-Q74 PolarHBondContact O-N 2.82Å
62	I	98.6	Very high	97.2	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	140	173.9	-168.7	172.7	0	0	0	109	A41 I43 I50 Y52 L71 F72 L73	A41-I62 HydrophobicContact CB-CB 4.02Å; A41-I62 HydrophobicContact CB-CD1 3.99Å; A41-I62 HydrophobicContact CB-CG2 4.16Å; I43-I62 HydrophobicContact CB-CD1 4.01Å; I43-I62 HydrophobicContact CB-CG1 4.24Å; I43-I62 HydrophobicContact CB-CG2 4.09Å; I43-I62 HydrophobicContact CG2-CD1 3.63Å; I43-I62 HydrophobicContact CG2-CG1 3.91Å; I50-I62 HydrophobicContact CG2-CG2 3.51Å; Y52-I62 HydrophobicContact CE1-CB 4.26Å; Y52-I62 HydrophobicContact CE1-CG2 3.83Å; Y52-I62 PolarHBondContact OH-N 2.75Å; I62-L71 HydrophobicContact CD1-CD1 4.07Å; I62-L71 HydrophobicContact CG1-CD1 4.03Å; I62-F72 WeakPolarHBondContact CA-O 3.44Å; I62-L73 HydrophobicContact CB-CD1 4.19Å
63	S	98.4	Very high	97.2	Very high	42 Å²	42	52.2 Å²	52.2	29%	0.294	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.4	175	53.2	0	0	0	0	110.2	F72	S63-F72 PolarHBondContact N-O 3.18Å; S63-F72 PolarHBondContact O-N 2.95Å
64	R	97.9	Very high	97.3	Very high	28 Å²	28	54.3 Å²	54.3	11%	0.106	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.9	-177.8	64	-176.9	-68.8	158.8	1.6	111.2	F21 Y24 I43 S44 S45 S47 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.32Å; F21-R64 HydrophobicContact CE1-CB 4.1Å; F21-R64 VanDerWaalsContact CE1-NH2 3.3Å; F21-R64 HydrophobicContact CZ-CB 4.15Å; F21-R64 PolarHBondContact O-NH2 3Å; Y24-R64 PolarHBondContact O-NH1 3.26Å; I43-R64 HydrophobicContact CD1-CB 4.47Å; I43-R64 HydrophobicContact CD1-CG 3.87Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; S44-R64 WeakPolarHBondContact O-CD 3.48Å; S44-R64 PolarHBondContact O-NH1 2.88Å; S45-R64 VanDerWaalsContact O-CZ 3.28Å; S45-R64 PolarHBondContact O-NE 2.84Å; S45-R64 PolarHBondContact O-NH1 2.81Å; S47-R64 WeakPolarHBondContact OG-CD 3.27Å; S47-R64 WeakPolarHBondContact OG-CG 3.25Å; R64-N66 PolarHBondContact NE-OD1 3.45Å; R64-N66 PolarHBondContact NH2-OD1 3.25Å; R64-T70 WeakPolarHBondContact CA-O 3.42Å; R64-L71 HydrophobicContact CB-CD1 4.19Å
65	D	97.4	Very high	97.3	Very high	43 Å²	43	47.8 Å²	47.8	23%	0.23	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	107	171.1	-176	-25	0	0	0	108.2	A67 K68 N69 T70 F72	D65-A67 PolarHBondContact OD1-N 3.14Å; D65-K68 HydrophobicContact CB-CB 4.18Å; D65-K68 CarbonylContact O-C 3.6Å; D65-K68 PolarHBondContact O-N 2.75Å; D65-K68 PolarHBondContact OD1-N 3.04Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CD 3.37Å; D65-K68 WeakPolarHBondContact OD2-CE 3.39Å; D65-K68 WeakPolarHBondContact OD2-CG 3.36Å; D65-K68 IonicContact OD2-NZ 3.16Å; D65-K68 PolarHBondContact OD2-NZ 3.03Å; D65-N69 PolarHBondContact O-N 2.79Å; D65-T70 PolarHBondContact N-O 3.38Å; D65-T70 PolarHBondContact O-N 2.9Å; D65-F72 HydrophobicContact CB-CE2 3.93Å
66	N	96.1	Very high	97.5	Very high	63 Å²	63	46 Å²	46	34%	0.337	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-30.6	-177.3	-73.6	-12.1	0	0	0	112.6	F21 S45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.02Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.07Å; S45-N66 PolarHBondContact O-ND2 2.68Å; R64-N66 PolarHBondContact NE-OD1 3.45Å; R64-N66 PolarHBondContact NH2-OD1 3.25Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 3.09Å; N66-N69 PolarHBondContact O-N 2.98Å; N66-N69 PolarHBondContact O-OD1 2.92Å
67	A	95.6	Very high	97.5	Very high	96 Å²	96	49.1 Å²	49.1	79%	0.793	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-30.3	177.3	0	0	0	0	0	111.3	D65	D65-A67 PolarHBondContact OD1-N 3.14Å
68	K	96.6	Very high	97.6	Very high	140 Å²	140	42.6 Å²	42.6	61%	0.609	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	2.8	177.7	-61	-177.8	-166.3	154.4	0	114	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.18Å; D65-K68 CarbonylContact O-C 3.6Å; D65-K68 PolarHBondContact O-N 2.75Å; D65-K68 PolarHBondContact OD1-N 3.04Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CD 3.37Å; D65-K68 WeakPolarHBondContact OD2-CE 3.39Å; D65-K68 WeakPolarHBondContact OD2-CG 3.36Å; D65-K68 IonicContact OD2-NZ 3.16Å; D65-K68 PolarHBondContact OD2-NZ 3.03Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 3.09Å; K68-T70 PolarHBondContact O-N 2.88Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 2.82Å
69	N	96.4	Very high	97.6	Very high	64 Å²	64	45.3 Å²	45.3	34%	0.342	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	39.4	-173.6	-60.4	-38.1	0	0	0	112.7	A16 F21 D65 N66	A16-N69 HydrophobicContact CB-CB 4.47Å; A16-N69 WeakPolarHBondContact CB-O 3.34Å; A16-N69 PolarHBondContact N-O 3.41Å; F21-N69 HydrophobicContact CB-CB 3.84Å; F21-N69 WeakPolarHBondContact CB-OD1 3.33Å; F21-N69 HydrophobicContact CG-CB 4.18Å; D65-N69 PolarHBondContact O-N 2.79Å; N66-N69 PolarHBondContact O-N 2.98Å; N66-N69 PolarHBondContact O-OD1 2.92Å
70	T	97.6	Very high	97.4	Very high	17 Å²	17	47.3 Å²	47.3	10%	0.104	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.4	-170.3	-57.9	0	0	0	0	111.5	C14 R64 D65 K68 F72	C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.5Å; R64-T70 WeakPolarHBondContact CA-O 3.42Å; D65-T70 PolarHBondContact N-O 3.38Å; D65-T70 PolarHBondContact O-N 2.9Å; K68-T70 PolarHBondContact O-N 2.88Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 2.82Å; T70-F72 HydrophobicContact CG2-CD1 4.11Å; T70-F72 HydrophobicContact CG2-CD2 4.4Å; T70-F72 HydrophobicContact CG2-CE1 3.49Å; T70-F72 VanDerWaalsContact CG2-CE1 3.49Å; T70-F72 HydrophobicContact CG2-CE2 3.81Å; T70-F72 HydrophobicContact CG2-CZ 3.32Å
71	L	98.1	Very high	97.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.3	170.2	-171.8	70.8	0	0	0	110.1	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.41Å; S13-L71 VanDerWaalsContact CA-O 3.27Å; S13-L71 WeakPolarHBondContact CA-O 3.31Å; C14-L71 HydrophobicContact CB-CB 4.34Å; C14-L71 PolarHBondContact N-O 3.06Å; C14-L71 PolarHBondContact O-N 2.94Å; F21-L71 HydrophobicContact CE2-CB 4.36Å; F21-L71 HydrophobicContact CZ-CB 4.17Å; M26-L71 HydrophobicContact CB-CD1 3.65Å; M26-L71 HydrophobicContact CB-CD2 3.85Å; M26-L71 HydrophobicContact CB-CG 4.3Å; M26-L71 HydrophobicContact CE-CD2 4.43Å; M26-L71 HydrophobicContact CG-CD1 4.35Å; W28-L71 HydrophobicContact CD2-CD2 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.35Å; W28-L71 HydrophobicContact CZ2-CD2 4.43Å; W28-L71 VanDerWaalsContact NE1-CD2 3.28Å; I43-L71 HydrophobicContact CG2-CD1 3.56Å; I62-L71 HydrophobicContact CD1-CD1 4.07Å; I62-L71 HydrophobicContact CG1-CD1 4.03Å; R64-L71 HydrophobicContact CB-CD1 4.19Å; L71-C88 HydrophobicContact CD2-CB 4Å
72	F	98.3	Very high	97.1	Very high	38 Å²	38	50.2 Å²	50.2	17%	0.167	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149	178.1	-56.5	-79.2	0	0	0	111.9	K11 L12 I62 S63 D65 T70	K11-F72 HydrophobicContact CD-CD1 4.45Å; K11-F72 VanDerWaalsContact CE-CD1 3.44Å; L12-F72 VanDerWaalsContact O-CA 3.24Å; L12-F72 WeakPolarHBondContact O-CA 3.49Å; I62-F72 WeakPolarHBondContact CA-O 3.44Å; S63-F72 PolarHBondContact N-O 3.18Å; S63-F72 PolarHBondContact O-N 2.95Å; D65-F72 HydrophobicContact CB-CE2 3.93Å; T70-F72 HydrophobicContact CG2-CD1 4.11Å; T70-F72 HydrophobicContact CG2-CD2 4.4Å; T70-F72 HydrophobicContact CG2-CE1 3.49Å; T70-F72 VanDerWaalsContact CG2-CE1 3.49Å; T70-F72 HydrophobicContact CG2-CE2 3.81Å; T70-F72 HydrophobicContact CG2-CZ 3.32Å
73	L	98.5	Very high	97.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	106	168	-169.2	65.9	0	0	0	108.6	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.5Å; L12-L73 HydrophobicContact CB-CB 4.35Å; L12-L73 PolarHBondContact N-O 2.9Å; L12-L73 PolarHBondContact O-N 2.79Å; W28-L73 HydrophobicContact CB-CD2 4.2Å; W28-L73 HydrophobicContact CD2-CB 4.1Å; W28-L73 HydrophobicContact CD2-CD2 4.18Å; W28-L73 HydrophobicContact CG-CB 4.16Å; W28-L73 HydrophobicContact CG-CD1 4.37Å; W28-L73 HydrophobicContact CG-CD2 3.97Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.24Å; V40-L73 HydrophobicContact CG1-CD2 4.14Å; A41-L73 HydrophobicContact CB-CD1 4.43Å; F60-L73 HydrophobicContact CB-CD1 4.19Å; F60-L73 HydrophobicContact CD2-CD2 4.08Å; F60-L73 HydrophobicContact CD2-CG 4.46Å; I62-L73 HydrophobicContact CB-CD1 4.19Å; L73-M75 HydrophobicContact CD2-CG 3.99Å; L73-M75 HydrophobicContact CD2-SD 3.97Å; L73-M75 HydrophobicContact CG-CG 3.87Å; L73-M75 HydrophobicContact CG-SD 4.43Å; L73-Y86 HydrophobicContact CD2-CD1 4.17Å; L73-Y86 HydrophobicContact CD2-CE1 4.28Å
74	Q	98.3	Very high	97	Very high	61 Å²	61	50 Å²	50	29%	0.285	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.4	168.7	-178.5	63.2	49.9	0	0	107.9	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.47Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.19Å; T61-Q74 PolarHBondContact N-O 3.02Å; T61-Q74 PolarHBondContact O-N 2.82Å; Q74-T76 HydrophobicContact CG-CG2 4.31Å
75	M	97.9	Very high	97	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.7	-180	-55.1	172.9	-56.9	0	0	107.9	S9 L10 L12 F60 L73 L78 Y86 L108	S9-M75 CarbonylContact C-O 3.56Å; S9-M75 WeakPolarHBondContact CA-O 3.49Å; S9-M75 WeakPolarHBondContact CB-O 3.36Å; L10-M75 HydrophobicContact CB-CE 3.78Å; L10-M75 HydrophobicContact CD2-CE 3.88Å; L10-M75 HydrophobicContact CG-CE 4.09Å; L10-M75 PolarHBondContact N-O 3.16Å; L10-M75 WeakPolarHBondContact O-CB 3.29Å; L10-M75 PolarHBondContact O-N 3.49Å; L12-M75 HydrophobicContact CD1-CE 3.87Å; L12-M75 HydrophobicContact CD1-SD 3.95Å; L12-M75 HydrophobicContact CD2-CE 4.15Å; L12-M75 HydrophobicContact CG-CE 3.6Å; L12-M75 HydrophobicContact CG-SD 4.22Å; F60-M75 HydrophobicContact CD1-CB 3.74Å; F60-M75 HydrophobicContact CD1-CG 3.93Å; F60-M75 HydrophobicContact CD2-CG 3.99Å; F60-M75 HydrophobicContact CE1-CB 3.67Å; F60-M75 HydrophobicContact CE1-CG 3.97Å; F60-M75 HydrophobicContact CE2-CG 3.99Å; F60-M75 HydrophobicContact CE2-SD 4.1Å; F60-M75 HydrophobicContact CG-CB 4.29Å; F60-M75 HydrophobicContact CG-CG 3.98Å; F60-M75 HydrophobicContact CZ-CB 4.11Å; F60-M75 HydrophobicContact CZ-CG 3.99Å; F60-M75 HydrophobicContact CZ-SD 4.17Å; L73-M75 HydrophobicContact CD2-CG 3.99Å; L73-M75 HydrophobicContact CD2-SD 3.97Å; L73-M75 HydrophobicContact CG-CG 3.87Å; L73-M75 HydrophobicContact CG-SD 4.43Å; M75-L78 HydrophobicContact CB-CD2 3.82Å; M75-L78 HydrophobicContact CB-CG 4.21Å; M75-L78 HydrophobicContact CE-CD2 4.49Å; M75-L78 HydrophobicContact SD-CD2 4.37Å; M75-Y86 HydrophobicContact SD-CE1 4.28Å; M75-L108 HydrophobicContact CE-CD1 4.3Å; M75-L108 HydrophobicContact CE-CD2 3.49Å; M75-L108 VanDerWaalsContact CE-CD2 3.49Å; M75-L108 HydrophobicContact CE-CG 4.45Å; M75-L108 HydrophobicContact SD-CD2 3.73Å
76	T	97.8	Very high	97	Very high	48 Å²	48	49.5 Å²	49.5	29%	0.294	27%	0.266	S	S	.	.			trans	-120.5	161.8	175.8	67.4	0	0	0	0	110.2	S9 R59 Q74 L78	S9-T76 WeakPolarHBondContact OG-CA 3.16Å; R59-T76 PolarHBondContact O-N 3.21Å; R59-T76 PolarHBondContact O-OG1 2.83Å; Q74-T76 HydrophobicContact CG-CG2 4.31Å; T76-L78 PolarHBondContact O-N 2.87Å
77	S	96.8	Very high	97.1	Very high	66 Å²	66	48.5 Å²	48.5	46%	0.462	26%	0.258	S	S	.	.	S	Bend	trans	48.9	48.8	-179.3	-56.7	0	0	0	0	111.7	G8 R59	G8-S77 PolarHBondContact O-N 2.99Å; R59-S77 PolarHBondContact NH1-O 2.02Å
78	L	97.4	Very high	97.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.223	C	C	.	.			trans	-61.3	140.8	-178.4	-80.5	170.8	0	0	0	110.9	V4 P6 G7 G8 L10 F60 M75 T76 D82 L108 V110	V4-L78 HydrophobicContact CB-CD1 4.11Å; V4-L78 HydrophobicContact CG1-CD1 4.13Å; V4-L78 HydrophobicContact CG2-CD1 4.09Å; P6-L78 CarbonylContact C-O 3.6Å; G7-L78 PolarHBondContact N-O 2.81Å; G8-L78 PolarHBondContact O-N 3.03Å; L10-L78 HydrophobicContact CB-CD1 4.1Å; F60-L78 HydrophobicContact CE1-CD2 3.96Å; F60-L78 HydrophobicContact CZ-CD2 3.97Å; M75-L78 HydrophobicContact CB-CD2 3.82Å; M75-L78 HydrophobicContact CB-CG 4.21Å; M75-L78 HydrophobicContact CE-CD2 4.49Å; M75-L78 HydrophobicContact SD-CD2 4.37Å; T76-L78 PolarHBondContact O-N 2.87Å; L78-D82 HydrophobicContact CD2-CB 3.85Å; L78-L108 HydrophobicContact CD1-CD1 4.41Å; L78-L108 HydrophobicContact CD1-CD2 4.43Å; L78-L108 HydrophobicContact CD2-CD2 3.85Å; L78-V110 HydrophobicContact CB-CG1 4.31Å; L78-V110 HydrophobicContact CB-CG2 4.06Å; L78-V110 HydrophobicContact CD1-CG2 4.35Å; L78-V110 HydrophobicContact CD2-CG2 4.35Å
79	R	96.2	Very high	97	Very high	138 Å²	138	37.8 Å²	37.8	52%	0.521	20%	0.195	S	C	.	.			trans	-120.2	162.3	178.6	-49.9	177.3	179	168.6	-2.2	109.9	E81 D82 V110	R79-E81 WeakPolarHBondContact CB-OE2 3.4Å; R79-E81 PolarHBondContact O-N 3.06Å; R79-E81 VanDerWaalsContact O-N 3.16Å; R79-D82 PolarHBondContact N-OD2 2.89Å; R79-D82 WeakPolarHBondContact O-CB 3.01Å; R79-D82 PolarHBondContact O-N 3.3Å; R79-V110 WeakPolarHBondContact O-CB 3.01Å; R79-V110 WeakPolarHBondContact O-CG1 3.27Å; R79-V110 WeakPolarHBondContact O-CG2 3.49Å
80	S	94.9	Very high	96.8	Very high	66 Å²	66	35.8 Å²	35.8	46%	0.462	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-56.3	-33.6	179.4	-56.6	0	0	0	0	112	D82 T83	S80-D82 PolarHBondContact O-N 2.91Å; S80-T83 VanDerWaalsContact O-CB 3.25Å; S80-T83 WeakPolarHBondContact O-CB 3.48Å; S80-T83 PolarHBondContact O-N 3.26Å; S80-T83 VanDerWaalsContact O-N 3.14Å; S80-T83 PolarHBondContact O-OG1 3.13Å
81	E	94.6	Very high	96.2	Very high	138 Å²	138	36.3 Å²	36.3	65%	0.645	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-69.7	-12.8	178	-53.5	77.5	-166.3	0	0	113.7	R79	R79-E81 WeakPolarHBondContact CB-OE2 3.4Å; R79-E81 PolarHBondContact O-N 3.06Å; R79-E81 VanDerWaalsContact O-N 3.16Å
82	D	96.4	Very high	95	Very high	2 Å²	2	42 Å²	42	1%	0.011	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-82.8	-2.8	173.9	-60.1	-48.8	0	0	0	112.5	R30 R59 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.8Å; R30-D82 PolarHBondContact NH1-OD1 2.84Å; R59-D82 IonicContact CZ-OD1 2.93Å; R59-D82 IonicContact CZ-OD2 3.36Å; R59-D82 IonicContact NH1-OD1 2.68Å; R59-D82 IonicContact NH1-OD2 3.47Å; R59-D82 PolarHBondContact NH1-OD2 2.99Å; R59-D82 IonicContact NH2-OD1 3.73Å; R59-D82 PolarHBondContact NH2-OD1 2.98Å; R59-D82 IonicContact NH2-OD2 3.84Å; R59-D82 PolarHBondContact NH2-OD2 2.76Å; F60-D82 HydrophobicContact CZ-CB 4.22Å; L78-D82 HydrophobicContact CD2-CB 3.85Å; R79-D82 PolarHBondContact N-OD2 2.89Å; R79-D82 WeakPolarHBondContact O-CB 3.01Å; R79-D82 PolarHBondContact O-N 3.3Å; S80-D82 PolarHBondContact O-N 2.91Å; D82-A84 PolarHBondContact O-N 3.06Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 2.88Å
83	T	97.2	Very high	93.2	Very high	36 Å²	36	49.1 Å²	49.1	22%	0.221	23%	0.234	C	C	.	.			trans	-63.2	112.8	172.8	-63.4	0	0	0	0	110.4	S80 L108 T109 V110	S80-T83 VanDerWaalsContact O-CB 3.25Å; S80-T83 WeakPolarHBondContact O-CB 3.48Å; S80-T83 PolarHBondContact O-N 3.26Å; S80-T83 VanDerWaalsContact O-N 3.14Å; S80-T83 PolarHBondContact O-OG1 3.13Å; T83-L108 WeakPolarHBondContact CA-O 3.4Å; T83-T109 HydrophobicContact CG2-CG2 4.44Å; T83-V110 PolarHBondContact OG1-N 3.49Å; T83-V110 PolarHBondContact OG1-O 3.24Å
84	A	97.3	Very high	91.3	Very high	4 Å²	4	53 Å²	53	3%	0.033	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	166.2	-176.9	0	0	0	0	0	111.1	R30 Q31 A32 D82 Y86 L108	R30-A84 HydrophobicContact CB-CB 3.89Å; R30-A84 HydrophobicContact CG-CB 4.23Å; Q31-A84 WeakPolarHBondContact O-CA 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.38Å; A32-A84 HydrophobicContact CB-CB 4.47Å; D82-A84 PolarHBondContact O-N 3.06Å; A84-Y86 HydrophobicContact CB-CD2 4.23Å; A84-Y86 HydrophobicContact CB-CE2 3.74Å; A84-Y86 WeakPolarHBondContact O-CD2 3.24Å; A84-L108 PolarHBondContact N-O 3.08Å; A84-L108 VanDerWaalsContact N-O 3.09Å; A84-L108 PolarHBondContact O-N 3.48Å
85	M	97.8	Very high	89.3	Confident	59 Å²	59	51.9 Å²	51.9	29%	0.291	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.8	159.1	-168.6	68.9	70.3	0	0	108.8	R30 Q31 Y87 T106 T107	R30-M85 CarbonylContact C-O 3.42Å; R30-M85 WeakPolarHBondContact CA-O 3.46Å; Q31-M85 PolarHBondContact N-O 3.02Å; Q31-M85 PolarHBondContact O-N 3.11Å; M85-Y87 HydrophobicContact CB-CE2 3.78Å; M85-Y87 HydrophobicContact CG-CD2 4.38Å; M85-Y87 HydrophobicContact CG-CE1 3.83Å; M85-Y87 HydrophobicContact CG-CE2 3.58Å; M85-Y87 VanDerWaalsContact CG-OH 3.23Å; M85-Y87 WeakPolarHBondContact CG-OH 3.44Å; M85-T106 VanDerWaalsContact SD-CA 3.57Å; M85-T106 PolarHBondContact SD-N 3.19Å; M85-T106 VanDerWaalsContact SD-N 3.38Å; M85-T107 WeakPolarHBondContact CE-OG1 3.46Å; M85-T107 PolarHBondContact SD-N 2.83Å; M85-T107 PolarHBondContact SD-OG1 3.49Å
86	Y	97.9	Very high	87.5	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.7	179.8	-75.2	-102.4	0	0	0	110.5	L12 V29 R30 V40 F60 L73 M75 D82 A84 G105 T106 L108	L12-Y86 HydrophobicContact CD1-CD1 4.03Å; L12-Y86 HydrophobicContact CD1-CD2 4.14Å; L12-Y86 HydrophobicContact CD1-CG 3.66Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.5Å; R30-Y86 HydrophobicContact CB-CD1 3.79Å; R30-Y86 HydrophobicContact CB-CD2 4.38Å; R30-Y86 HydrophobicContact CB-CE1 3.73Å; R30-Y86 HydrophobicContact CB-CE2 4.32Å; R30-Y86 HydrophobicContact CB-CG 4.11Å; R30-Y86 WeakPolarHBondContact CD-OH 3.46Å; R30-Y86 HydrophobicContact CG-CE1 4.38Å; R30-Y86 PolarHBondContact NH1-OH 3.28Å; V40-Y86 HydrophobicContact CG2-CE1 4.33Å; F60-Y86 HydrophobicContact CE2-CE1 4.28Å; L73-Y86 HydrophobicContact CD2-CD1 4.17Å; L73-Y86 HydrophobicContact CD2-CE1 4.28Å; M75-Y86 HydrophobicContact SD-CE1 4.28Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 2.88Å; A84-Y86 HydrophobicContact CB-CD2 4.23Å; A84-Y86 HydrophobicContact CB-CE2 3.74Å; A84-Y86 WeakPolarHBondContact O-CD2 3.24Å; Y86-G105 CarbonylContact O-C 3.59Å; Y86-G105 WeakPolarHBondContact O-CA 3.43Å; Y86-T106 PolarHBondContact N-O 3.03Å; Y86-T106 PolarHBondContact O-N 3.39Å; Y86-L108 HydrophobicContact CD2-CB 3.83Å; Y86-L108 HydrophobicContact CD2-CD2 4.4Å; Y86-L108 HydrophobicContact CE2-CB 3.69Å; Y86-L108 HydrophobicContact CE2-CD2 3.66Å; Y86-L108 HydrophobicContact CE2-CG 4.27Å
87	Y	97.4	Very high	85.6	Confident	42 Å²	42	62.2 Å²	62.2	17%	0.165	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.5	-178.8	-53	-91.2	0	0	0	109.8	W28 V29 Q31 L37 M85 W102 G103	W28-Y87 WeakPolarHBondContact CA-O 3.33Å; V29-Y87 PolarHBondContact N-O 3.16Å; V29-Y87 PolarHBondContact O-N 2.82Å; Q31-Y87 HydrophobicContact CB-CE2 3.96Å; L37-Y87 HydrophobicContact CD2-CD2 4.22Å; L37-Y87 HydrophobicContact CD2-CE2 4.2Å; M85-Y87 HydrophobicContact CB-CE2 3.78Å; M85-Y87 HydrophobicContact CG-CD2 4.38Å; M85-Y87 HydrophobicContact CG-CE1 3.83Å; M85-Y87 HydrophobicContact CG-CE2 3.58Å; M85-Y87 VanDerWaalsContact CG-OH 3.23Å; M85-Y87 WeakPolarHBondContact CG-OH 3.44Å; Y87-W102 HydrophobicContact CG-CE3 4.25Å; Y87-W102 HydrophobicContact CG-CZ3 4.5Å; Y87-G103 WeakPolarHBondContact CD1-O 3.38Å
88	C	96.1	Very high	84	Confident	10 Å²	10	62.8 Å²	62.8	7%	0.068	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	145.6	162.4	53.5	0	0	0	0	109.2	C14 H27 W28 L71 W102 G103	C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.4Å; H27-C88 CarbonylContact O-C 3.49Å; H27-C88 VanDerWaalsContact O-CA 3.25Å; H27-C88 WeakPolarHBondContact O-CA 3.08Å; W28-C88 HydrophobicContact CZ3-CB 4.49Å; L71-C88 HydrophobicContact CD2-CB 4Å; C88-W102 WeakPolarHBondContact O-CA 3.38Å; C88-G103 PolarHBondContact O-N 3.48Å
89	A	94.8	Very high	82.9	Confident	2 Å²	2	65.4 Å²	65.4	2%	0.017	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.3	175.7	0	0	0	0	0	111.3	H27 F99 Y101 W102	H27-A89 PolarHBondContact N-O 3.07Å; H27-A89 PolarHBondContact O-N 3.21Å; A89-F99 HydrophobicContact CB-CD1 3.63Å; A89-F99 HydrophobicContact CB-CE1 4.38Å; A89-Y101 CarbonylContact C-O 3.59Å; A89-Y101 WeakPolarHBondContact CA-O 3.06Å; A89-Y101 WeakPolarHBondContact CB-O 3.4Å; A89-W102 HydrophobicContact CB-CD2 3.85Å; A89-W102 HydrophobicContact CB-CE3 4.07Å; A89-W102 HydrophobicContact CB-CG 4.23Å; A89-W102 HydrophobicContact CB-CZ2 4.35Å; A89-W102 HydrophobicContact CB-CZ3 4.42Å
90	R	91.6	Very high	82	Confident	22 Å²	22	62.8 Å²	62.8	8%	0.083	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144	-174.9	-172.1	-174.5	81	176.5	3.9	111.4	F19 Y24 M26 F99 Y101	F19-R90 HydrophobicContact CE2-CG 4.04Å; F19-R90 HydrophobicContact CZ-CG 4.27Å; Y24-R90 HydrophobicContact CD1-CG 3.55Å; Y24-R90 VanDerWaalsContact CD1-NE 3.32Å; Y24-R90 HydrophobicContact CD2-CG 4.38Å; Y24-R90 HydrophobicContact CE1-CG 4.4Å; Y24-R90 VanDerWaalsContact CE1-NE 3.29Å; Y24-R90 HydrophobicContact CG-CG 3.53Å; M26-R90 HydrophobicContact CE-CB 4.33Å; M26-R90 HydrophobicContact SD-CB 4.01Å; M26-R90 HydrophobicContact SD-CG 3.91Å; R90-F99 VanDerWaalsContact O-CA 3.24Å; R90-F99 WeakPolarHBondContact O-CA 3.34Å; R90-F99 PolarHBondContact O-N 3.45Å; R90-Y101 VanDerWaalsContact CZ-CD2 3.48Å; R90-Y101 PolarHBondContact N-O 3.14Å; R90-Y101 VanDerWaalsContact NH2-CE2 3.26Å
91	D	84.9	Confident	81.5	Confident	28 Å²	28	66.5 Å²	66.5	15%	0.15	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.6	173.2	176.4	36.3	0	0	0	111.3	G25 H27	G25-D91 PolarHBondContact N-O 3Å; G25-D91 PolarHBondContact O-N 2.81Å; H27-D91 WeakPolarHBondContact NE2-CB 3.2Å; H27-D91 IonicContact NE2-OD2 3.29Å
92	Y	71.9	Confident	81.4	Confident	118 Å²	118	64.8 Å²	64.8	46%	0.463	33%	0.326	S	S	.	.			trans	-100.8	118.1	176.9	-176.7	-102.5	0	0	0	110.3	Y24 G94 S95	Y24-Y92 AromaticContact CD1-CD2 3.79Å; Y24-Y92 HydrophobicContact CD1-CD2 3.79Å; Y24-Y92 HydrophobicContact CD1-CG 4.39Å; Y24-Y92 AromaticContact CE1-CD2 3.36Å; Y24-Y92 HydrophobicContact CE1-CD2 3.36Å; Y24-Y92 HydrophobicContact CE1-CE2 4.27Å; Y24-Y92 HydrophobicContact CE1-CG 4.07Å; Y92-G94 PolarHBondContact O-N 3.09Å; Y92-G94 VanDerWaalsContact O-N 3.09Å; Y92-S95 PolarHBondContact O-N 2.86Å; Y92-S95 PolarHBondContact O-OG 2.76Å
93	Y	61.6	Low	81.2	Confident	188 Å²	188	65.9 Å²	65.9	74%	0.737	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	112.4	179.4	-139.2	-95.9	0	0	0	110
94	G	57.7	Low	81	Confident	81 Å²	81	73.2 Å²	73.2	84%	0.835	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	4.5	-179.2	0	0	0	0	0	115.9	Y92	Y92-G94 PolarHBondContact O-N 3.09Å; Y92-G94 VanDerWaalsContact O-N 3.09Å
95	S	58.2	Low	80.8	Confident	39 Å²	39	74.4 Å²	74.4	27%	0.273	38%	0.382	S	S	.	.			trans	-81.2	149.9	168.3	66.4	0	0	0	0	111.9	Y92 Y97	Y92-S95 PolarHBondContact O-N 2.86Å; Y92-S95 PolarHBondContact O-OG 2.76Å; S95-Y97 PolarHBondContact O-N 3.44Å; S95-Y97 PolarHBondContact OG-O 2.75Å
96	S	58.8	Low	80.7	Confident	102 Å²	102	73 Å²	73	71%	0.713	38%	0.377	S	S	*	.	S	Bend	trans	-78.2	2.2	167.1	45.8	0	0	0	0	113.5
97	Y	57.7	Low	80.6	Confident	162 Å²	162	76.2 Å²	76.2	64%	0.635	40%	0.397	S	S	*	.			trans	-131.1	81.5	-176.2	-57.6	-75	0	0	0	110.7	S95 D100	S95-Y97 PolarHBondContact O-N 3.44Å; S95-Y97 PolarHBondContact OG-O 2.75Å; Y97-D100 WeakPolarHBondContact CB-OD1 3.37Å; Y97-D100 VanDerWaalsContact O-OD1 3.08Å
98	P	64.2	Low	80.5	Confident	78 Å²	78	74.2 Å²	74.2	51%	0.506	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	142.7	170.7	27.1	-32.6	0	0	0	109.6
99	F	74.3	Confident	80.5	Confident	58 Å²	58	76.2 Å²	76.2	25%	0.254	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	38.7	177.3	-47.7	-81.3	0	0	0	117.7	H27 V29 A89 R90 Y101 W102	H27-F99 HydrophobicContact CB-CD1 4.34Å; H27-F99 HydrophobicContact CB-CE1 3.6Å; H27-F99 AromaticContact CD2-CD1 3.88Å; H27-F99 AromaticContact CD2-CE1 3.32Å; H27-F99 WeakPolarHBondContact CD2-CE1 3.44Å; H27-F99 AromaticContact CD2-CZ 3.95Å; H27-F99 AromaticContact CE1-CZ 3.91Å; H27-F99 AromaticContact CG-CE1 3.3Å; H27-F99 AromaticContact CG-CZ 3.94Å; H27-F99 AromaticContact ND1-CE1 3.78Å; H27-F99 AromaticContact ND1-CZ 3.95Å; H27-F99 AromaticContact NE2-CE1 3.8Å; H27-F99 AromaticContact NE2-CZ 3.95Å; V29-F99 HydrophobicContact CG2-CE1 4.24Å; A89-F99 HydrophobicContact CB-CD1 3.63Å; A89-F99 HydrophobicContact CB-CE1 4.38Å; R90-F99 VanDerWaalsContact O-CA 3.24Å; R90-F99 WeakPolarHBondContact O-CA 3.34Å; R90-F99 PolarHBondContact O-N 3.45Å; F99-Y101 PolarHBondContact O-N 2.86Å; F99-W102 HydrophobicContact CB-CZ2 3.76Å; F99-W102 HydrophobicContact CD1-CZ2 4.17Å; F99-W102 HydrophobicContact CG-CZ2 4.05Å; F99-W102 VanDerWaalsContact O-CD1 3.3Å; F99-W102 PolarHBondContact O-NE1 3.42Å
100	D	76.1	Confident	80.5	Confident	82 Å²	82	76.3 Å²	76.3	44%	0.439	40%	0.402	S	S	.	.			trans	-62.5	-24.9	179.2	-65.3	-31.7	0	0	0	115	Y97	Y97-D100 WeakPolarHBondContact CB-OD1 3.37Å; Y97-D100 VanDerWaalsContact O-OD1 3.08Å
101	Y	84.7	Confident	80.6	Confident	144 Å²	144	77.7 Å²	77.7	57%	0.565	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.6	-178.1	-74.4	-89.3	0	0	0	111.6	A89 R90 F99	A89-Y101 CarbonylContact C-O 3.59Å; A89-Y101 WeakPolarHBondContact CA-O 3.06Å; A89-Y101 WeakPolarHBondContact CB-O 3.4Å; R90-Y101 VanDerWaalsContact CZ-CD2 3.48Å; R90-Y101 PolarHBondContact N-O 3.14Å; R90-Y101 VanDerWaalsContact NH2-CE2 3.26Å; F99-Y101 PolarHBondContact O-N 2.86Å
102	W	92.1	Very high	80.6	Confident	103 Å²	103	83.1 Å²	83.1	39%	0.39	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.8	-179.9	-67.2	71.2	0	0	0	110.9	V29 L37 Y87 C88 A89 F99	V29-W102 HydrophobicContact CB-CH2 3.96Å; V29-W102 HydrophobicContact CB-CZ3 3.67Å; V29-W102 HydrophobicContact CG1-CH2 3.83Å; V29-W102 HydrophobicContact CG1-CZ3 3.77Å; V29-W102 HydrophobicContact CG2-CH2 3.75Å; V29-W102 HydrophobicContact CG2-CZ3 3.86Å; L37-W102 HydrophobicContact CD1-CH2 3.95Å; L37-W102 HydrophobicContact CD1-CZ3 4.28Å; L37-W102 HydrophobicContact CD2-CH2 4.45Å; L37-W102 HydrophobicContact CD2-CZ3 4.1Å; Y87-W102 HydrophobicContact CG-CE3 4.25Å; Y87-W102 HydrophobicContact CG-CZ3 4.5Å; C88-W102 WeakPolarHBondContact O-CA 3.38Å; A89-W102 HydrophobicContact CB-CD2 3.85Å; A89-W102 HydrophobicContact CB-CE3 4.07Å; A89-W102 HydrophobicContact CB-CG 4.23Å; A89-W102 HydrophobicContact CB-CZ2 4.35Å; A89-W102 HydrophobicContact CB-CZ3 4.42Å; F99-W102 HydrophobicContact CB-CZ2 3.76Å; F99-W102 HydrophobicContact CD1-CZ2 4.17Å; F99-W102 HydrophobicContact CG-CZ2 4.05Å; F99-W102 VanDerWaalsContact O-CD1 3.3Å; F99-W102 PolarHBondContact O-NE1 3.42Å
103	G	92.4	Very high	81	Confident	25 Å²	25	81.4 Å²	81.4	26%	0.258	45%	0.454	S	S	.	.			trans	-71.2	162.3	165.6	0	0	0	0	0	111.5	Y87 C88 G105	Y87-G103 WeakPolarHBondContact CD1-O 3.38Å; C88-G103 PolarHBondContact O-N 3.48Å; G103-G105 PolarHBondContact O-N 3.09Å; G103-G105 VanDerWaalsContact O-N 3.09Å
104	Q	92.6	Very high	82	Confident	189 Å²	189	75.7 Å²	75.7	88%	0.883	44%	0.439	S	S	*	.			trans	-64.2	-14.3	179.3	-66.3	-63	-43	0	0	114.1
105	G	93.7	Very high	83.4	Confident	29 Å²	29	75.4 Å²	75.4	30%	0.299	42%	0.417	S	S	.	.			trans	88	161.3	-178.3	0	0	0	0	0	113.1	Y86 G103	Y86-G105 CarbonylContact O-C 3.59Å; Y86-G105 WeakPolarHBondContact O-CA 3.43Å; G103-G105 PolarHBondContact O-N 3.09Å; G103-G105 VanDerWaalsContact O-N 3.09Å
106	T	95.9	Very high	84.9	Confident	31 Å²	31	77.6 Å²	77.6	19%	0.19	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	133.8	172.8	176.9	0	0	0	0	111.2	G1 L12 M85 Y86	G1-T106 WeakPolarHBondContact CA-OG1 3.27Å; G1-T106 PolarHBondContact N-OG1 2.78Å; L12-T106 HydrophobicContact CD1-CG2 4.18Å; L12-T106 HydrophobicContact CD2-CG2 4.02Å; M85-T106 VanDerWaalsContact SD-CA 3.57Å; M85-T106 PolarHBondContact SD-N 3.19Å; M85-T106 VanDerWaalsContact SD-N 3.38Å; Y86-T106 PolarHBondContact N-O 3.03Å; Y86-T106 PolarHBondContact O-N 3.39Å
107	T	95.9	Very high	86.5	Confident	68 Å²	68	76.1 Å²	76.1	42%	0.417	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.5	178.4	-46	0	0	0	0	111	G1 G2 M85	G1-T107 CarbonylContact C-O 3.59Å; G1-T107 WeakPolarHBondContact CA-O 3.26Å; G2-T107 PolarHBondContact N-O 3.45Å; G2-T107 VanDerWaalsContact N-O 3.14Å; M85-T107 WeakPolarHBondContact CE-OG1 3.46Å; M85-T107 PolarHBondContact SD-N 2.83Å; M85-T107 PolarHBondContact SD-OG1 3.49Å
108	L	95.8	Very high	88.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.3	163.2	173	62.1	0	0	0	108.1	V4 L10 M75 L78 T83 A84 Y86 V110	V4-L108 HydrophobicContact CG2-CD1 3.88Å; L10-L108 HydrophobicContact CD2-CD1 3.43Å; L10-L108 VanDerWaalsContact CD2-CD1 3.43Å; M75-L108 HydrophobicContact CE-CD1 4.3Å; M75-L108 HydrophobicContact CE-CD2 3.49Å; M75-L108 VanDerWaalsContact CE-CD2 3.49Å; M75-L108 HydrophobicContact CE-CG 4.45Å; M75-L108 HydrophobicContact SD-CD2 3.73Å; L78-L108 HydrophobicContact CD1-CD1 4.41Å; L78-L108 HydrophobicContact CD1-CD2 4.43Å; L78-L108 HydrophobicContact CD2-CD2 3.85Å; T83-L108 WeakPolarHBondContact CA-O 3.4Å; A84-L108 PolarHBondContact N-O 3.08Å; A84-L108 VanDerWaalsContact N-O 3.09Å; A84-L108 PolarHBondContact O-N 3.48Å; Y86-L108 HydrophobicContact CD2-CB 3.83Å; Y86-L108 HydrophobicContact CD2-CD2 4.4Å; Y86-L108 HydrophobicContact CE2-CB 3.69Å; Y86-L108 HydrophobicContact CE2-CD2 3.66Å; Y86-L108 HydrophobicContact CE2-CG 4.27Å; L108-V110 HydrophobicContact CD1-CG2 4.45Å; L108-V110 HydrophobicContact CD2-CG2 4.43Å; L108-V110 HydrophobicContact CG-CG2 4.2Å
109	T	96.3	Very high	90.1	Very high	52 Å²	52	69.8 Å²	69.8	32%	0.319	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.6	173.5	-55	0	0	0	0	109.3	G2 L3 V4 T83	G2-T109 PolarHBondContact O-N 3.4Å; L3-T109 WeakPolarHBondContact CA-O 3.12Å; L3-T109 HydrophobicContact CD1-CG2 3.72Å; V4-T109 PolarHBondContact N-O 3.04Å; T83-T109 HydrophobicContact CG2-CG2 4.44Å
110	V	95	Very high	91.4	Very high	4 Å²	4	70.7 Å²	70.7	2%	0.024	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	104.1	174.8	-172.9	0	0	0	0	108.8	V4 P6 L78 R79 T83 L108	V4-V110 VanDerWaalsContact O-CA 3.24Å; V4-V110 WeakPolarHBondContact O-CA 3.37Å; P6-V110 HydrophobicContact CB-CG1 4.39Å; P6-V110 HydrophobicContact CG-CG1 4.08Å; L78-V110 HydrophobicContact CB-CG1 4.31Å; L78-V110 HydrophobicContact CB-CG2 4.06Å; L78-V110 HydrophobicContact CD1-CG2 4.35Å; L78-V110 HydrophobicContact CD2-CG2 4.35Å; R79-V110 WeakPolarHBondContact O-CB 3.01Å; R79-V110 WeakPolarHBondContact O-CG1 3.27Å; R79-V110 WeakPolarHBondContact O-CG2 3.49Å; T83-V110 PolarHBondContact OG1-N 3.49Å; T83-V110 PolarHBondContact OG1-O 3.24Å; L108-V110 HydrophobicContact CD1-CG2 4.45Å; L108-V110 HydrophobicContact CD2-CG2 4.43Å; L108-V110 HydrophobicContact CG-CG2 4.2Å
111	S	92.4	Very high	92.6	Very high	50 Å²	50	69.8 Å²	69.8	35%	0.35	39%	0.391	S	S	.	.			trans	-148.1	157.2	-179.6	70.7	0	0	0	0	111.5	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 3.2Å; V4-S111 PolarHBondContact O-N 3.29Å; V4-S111 VanDerWaalsContact O-N 3.12Å
112	S	84.8	Confident	93.3	Very high	142 Å²	142	63 Å²	63	99%	0.993	38%	0.375	S	S	*	.			trans	-75.5	0	177.5	-174.4	0	0	0	0	112.8

Retrieved 112 of 112 residues in 24.6 ms (Link to these results)

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