X5J4P5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4P5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4P5_MOUSE|X5J4P5
GDLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGSYTYYPDSVKGRFTISRDNAKSTLYLQMSSLKSEDTAMYYCARDRFYGSLGFAYWGQGTLVTVS
					

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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	60.8	Low	88.3	Confident	82 Å²	82	75.9 Å²	75.9	85%	0.845	47%	0.47	S	S	*	.				0	134.8	0	0	0	0	0	0	106.6	L107	G1-L107 CarbonylContact C-O 3.59Å; G1-L107 WeakPolarHBondContact CA-O 3.48Å
2	D	79.3	Confident	89.1	Confident	73 Å²	73	70.1 Å²	70.1	39%	0.39	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.2	-168.6	-61	-27	0	0	0	109.7	L10 L107 T109	D2-L10 HydrophobicContact CB-CD1 3.97Å; D2-L10 HydrophobicContact CB-CD2 3.7Å; D2-L107 PolarHBondContact N-O 3.43Å; D2-T109 PolarHBondContact O-N 3.01Å
3	L	85.9	Confident	89.7	Confident	125 Å²	125	71 Å²	71	65%	0.654	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.5	176.1	-178.5	66.1	0	0	0	109.2	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.38Å; L3-T109 HydrophobicContact CD1-CG2 3.75Å; L3-S111 WeakPolarHBondContact CD1-OG 3.07Å
4	V	89.5	Confident	90.3	Very high	20 Å²	20	67.3 Å²	67.3	12%	0.121	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.7	-176.3	-167.9	0	0	0	0	109.7	L10 L78 T109 V110 S111	V4-L10 HydrophobicContact CG2-CB 4.13Å; V4-L10 HydrophobicContact CG2-CD1 4.5Å; V4-L10 HydrophobicContact CG2-CD2 4.03Å; V4-L10 HydrophobicContact CG2-CG 4.45Å; V4-L78 HydrophobicContact CB-CD1 4.12Å; V4-L78 HydrophobicContact CG1-CD1 3.94Å; V4-L78 HydrophobicContact CG2-CD1 4.3Å; V4-T109 PolarHBondContact N-O 2.97Å; V4-V110 VanDerWaalsContact O-CA 3.27Å; V4-V110 WeakPolarHBondContact O-CA 3.25Å; V4-S111 PolarHBondContact O-N 3.44Å
5	K	89.4	Confident	90.7	Very high	171 Å²	171	68.2 Å²	68.2	74%	0.743	44%	0.438	S	S	*	.			trans	-71.6	149.3	173.7	-66.2	-177.7	179.1	-178.4	0	110.8	G7 G8	K5-G7 PolarHBondContact O-N 3.3Å; K5-G8 WeakPolarHBondContact O-CA 3.39Å; K5-G8 PolarHBondContact O-N 3.28Å
6	P	91.7	Very high	90.8	Very high	75 Å²	75	65.1 Å²	65.1	49%	0.487	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	139.6	169.4	-26.2	33.8	0	0	0	112.2	G8 V110	P6-G8 PolarHBondContact O-N 3.26Å; P6-V110 HydrophobicContact CB-CG1 4.43Å; P6-V110 HydrophobicContact CG-CG1 4.13Å
7	G	91.5	Very high	90.9	Very high	55 Å²	55	67.6 Å²	67.6	57%	0.567	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-9.1	-172.6	0	0	0	0	0	114.5	K5 L78	K5-G7 PolarHBondContact O-N 3.3Å; G7-L78 PolarHBondContact N-O 3.16Å
8	G	93.9	Very high	90.9	Very high	23 Å²	23	68.7 Å²	68.7	24%	0.237	47%	0.466	C	S	.	.			trans	-70	177.7	176.5	0	0	0	0	0	113.8	K5 P6 S77 L78	K5-G8 WeakPolarHBondContact O-CA 3.39Å; K5-G8 PolarHBondContact O-N 3.28Å; P6-G8 PolarHBondContact O-N 3.26Å; G8-S77 PolarHBondContact O-N 2.83Å; G8-L78 PolarHBondContact O-N 3.44Å; G8-L78 VanDerWaalsContact O-N 3.1Å
9	S	95.7	Very high	90.8	Very high	71 Å²	71	67.5 Å²	67.5	50%	0.497	45%	0.452	S	S	.	.			trans	-129.9	147.9	177.2	-60	0	0	0	0	111	M75	S9-M75 CarbonylContact C-O 3.59Å; S9-M75 WeakPolarHBondContact CA-O 3.46Å; S9-M75 WeakPolarHBondContact CB-O 3.49Å
10	L	96.2	Very high	90.8	Very high	26 Å²	26	68.6 Å²	68.6	14%	0.136	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.9	178.3	179.7	62.3	0	0	0	109.8	D2 V4 L12 M75 L78 V108	D2-L10 HydrophobicContact CB-CD1 3.97Å; D2-L10 HydrophobicContact CB-CD2 3.7Å; V4-L10 HydrophobicContact CG2-CB 4.13Å; V4-L10 HydrophobicContact CG2-CD1 4.5Å; V4-L10 HydrophobicContact CG2-CD2 4.03Å; V4-L10 HydrophobicContact CG2-CG 4.45Å; L10-L12 HydrophobicContact CD2-CD2 3.8Å; L10-L12 HydrophobicContact CG-CD2 4.1Å; L10-M75 HydrophobicContact CB-CE 3.7Å; L10-M75 HydrophobicContact CD2-CE 3.57Å; L10-M75 HydrophobicContact CG-CE 3.8Å; L10-M75 PolarHBondContact N-O 3.47Å; L10-M75 PolarHBondContact O-N 2.96Å; L10-L78 HydrophobicContact CB-CD1 3.95Å; L10-V108 HydrophobicContact CD2-CG1 3.92Å; L10-V108 HydrophobicContact CD2-CG2 3.96Å
11	K	97.4	Very high	90.9	Very high	114 Å²	114	65.4 Å²	65.4	50%	0.496	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.3	174.3	-172.1	175.9	178.6	177.5	0	110.2	L73	K11-L73 CarbonylContact C-O 3.59Å; K11-L73 WeakPolarHBondContact CA-O 2.92Å
12	L	97.8	Very high	92.4	Very high	6 Å²	6	64.3 Å²	64.3	3%	0.031	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	150.5	171.5	-53.8	-176.5	0	0	0	110.3	L10 W28 Y72 L73 M75 Y86 T106 V108	L10-L12 HydrophobicContact CD2-CD2 3.8Å; L10-L12 HydrophobicContact CG-CD2 4.1Å; L12-W28 HydrophobicContact CB-CH2 3.73Å; L12-W28 HydrophobicContact CB-CZ2 3.98Å; L12-W28 HydrophobicContact CB-CZ3 4.27Å; L12-W28 HydrophobicContact CD1-CE3 4.43Å; L12-W28 HydrophobicContact CD1-CH2 4.35Å; L12-W28 HydrophobicContact CD1-CZ3 4.04Å; L12-Y72 VanDerWaalsContact O-CA 3.27Å; L12-Y72 WeakPolarHBondContact O-CA 3.08Å; L12-L73 HydrophobicContact CB-CB 4.27Å; L12-L73 HydrophobicContact CD1-CD2 4.4Å; L12-L73 PolarHBondContact N-O 2.48Å; L12-L73 PolarHBondContact O-N 3.19Å; L12-M75 HydrophobicContact CD1-CE 3.98Å; L12-M75 HydrophobicContact CD1-SD 4.07Å; L12-M75 HydrophobicContact CD2-CE 4.1Å; L12-M75 HydrophobicContact CG-CE 3.77Å; L12-M75 HydrophobicContact CG-SD 4.33Å; L12-Y86 HydrophobicContact CD1-CD1 4.09Å; L12-Y86 HydrophobicContact CD1-CD2 4.43Å; L12-Y86 HydrophobicContact CD1-CG 3.8Å; L12-T106 HydrophobicContact CD1-CG2 4.04Å; L12-T106 HydrophobicContact CD2-CG2 3.95Å; L12-V108 HydrophobicContact CD1-CG2 4.11Å; L12-V108 HydrophobicContact CD2-CG2 3.94Å
13	S	97.6	Very high	93	Very high	82 Å²	82	63.9 Å²	63.9	57%	0.573	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.7	172.3	69.4	0	0	0	0	110.8	L71	S13-L71 CarbonylContact C-O 3.51Å; S13-L71 VanDerWaalsContact CA-O 3.3Å; S13-L71 WeakPolarHBondContact CA-O 3.37Å
14	C	96.9	Very high	93.3	Very high	19 Å²	19	59.9 Å²	59.9	13%	0.128	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	108.3	175.3	166.2	0	0	0	0	108.9	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.86Å; C14-W28 HydrophobicContact CB-CZ2 3.86Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; C14-L71 HydrophobicContact CB-CB 4.37Å; C14-L71 PolarHBondContact N-O 3.47Å; C14-L71 PolarHBondContact O-N 2.65Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.27Å; C14-C88 WeakPolarHBondContact SG-CB 3.3Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.34Å
15	A	96.3	Very high	93.4	Very high	81 Å²	81	59.6 Å²	59.6	67%	0.669	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.4	172.5	0	0	0	0	0	109.3
16	A	93.4	Very high	93.7	Very high	19 Å²	19	51.7 Å²	51.7	16%	0.157	36%	0.36	C	S	.	.			trans	-97.5	141.6	177.7	0	0	0	0	0	110.7	F19 F21 S69	A16-F19 HydrophobicContact CB-CE1 3.94Å; A16-F19 HydrophobicContact CB-CZ 3.67Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 3.98Å; A16-F21 HydrophobicContact CB-CG 4.33Å; A16-S69 WeakPolarHBondContact CB-O 3.34Å; A16-S69 PolarHBondContact N-O 2.83Å
17	S	92.4	Very high	93.9	Very high	107 Å²	107	48.1 Å²	48.1	75%	0.748	34%	0.337	S	S	*	.			trans	-142.8	161	175.5	62.5	0	0	0	0	110.3	F19	S17-F19 WeakPolarHBondContact O-CD1 3.3Å
18	G	90.3	Very high	94.2	Very high	87 Å²	87	45.7 Å²	45.7	90%	0.897	31%	0.311	S	S	*	.	S	Bend	trans	82.2	5.9	177.8	0	0	0	0	0	115.9
19	F	88.5	Confident	94.4	Very high	47 Å²	47	44.8 Å²	44.8	21%	0.206	30%	0.301	C	S	.	.	S	Bend	trans	-157.5	163.3	172.9	63.6	-83.4	0	0	0	111.8	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.94Å; A16-F19 HydrophobicContact CB-CZ 3.67Å; S17-F19 WeakPolarHBondContact O-CD1 3.3Å; F19-F21 HydrophobicContact CE2-CB 4.38Å; F19-F21 HydrophobicContact CE2-CD2 4.22Å; F19-F21 HydrophobicContact CZ-CD2 4.34Å; F19-F21 PolarHBondContact O-N 2.81Å; F19-Y24 HydrophobicContact CB-CE2 4.45Å; F19-Y24 AromaticContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CE2 4.03Å; F19-Y24 HydrophobicContact CD2-CG 4.39Å; F19-Y24 HydrophobicContact CE2-CD2 4.13Å; F19-M26 HydrophobicContact CE2-SD 4.18Å; F19-M26 HydrophobicContact CZ-CE 4.4Å; F19-M26 HydrophobicContact CZ-SD 4.05Å; F19-R90 HydrophobicContact CE2-CG 3.98Å; F19-R90 HydrophobicContact CZ-CB 4.34Å; F19-R90 HydrophobicContact CZ-CG 4.11Å
20	T	91.7	Very high	94.4	Very high	88 Å²	88	42.1 Å²	42.1	54%	0.54	28%	0.28	S	S	.	.			trans	-72	91.7	174.3	-49.6	0	0	0	0	110.5	S22 S23 Y24	T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 PolarHBondContact O-N 2.94Å; T20-S22 VanDerWaalsContact O-N 3.17Å; T20-S23 WeakPolarHBondContact CG2-OG 3.42Å; T20-S23 WeakPolarHBondContact O-CB 3.46Å; T20-S23 PolarHBondContact O-N 2.82Å; T20-Y24 VanDerWaalsContact O-CD2 3.31Å; T20-Y24 WeakPolarHBondContact O-CD2 3.37Å
21	F	92.9	Very high	94.4	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-52.1	-39.9	-174.5	179.2	-101.5	0	0	0	113.9	A16 F19 S23 Y24 M26 R64 N66 L71	A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 3.98Å; A16-F21 HydrophobicContact CB-CG 4.33Å; F19-F21 HydrophobicContact CE2-CB 4.38Å; F19-F21 HydrophobicContact CE2-CD2 4.22Å; F19-F21 HydrophobicContact CZ-CD2 4.34Å; F19-F21 PolarHBondContact O-N 2.81Å; F21-S23 PolarHBondContact O-N 2.98Å; F21-Y24 PolarHBondContact O-N 3.03Å; F21-M26 HydrophobicContact CD2-CG 4.19Å; F21-M26 HydrophobicContact CD2-SD 4.16Å; F21-M26 HydrophobicContact CE2-CE 4.06Å; F21-M26 HydrophobicContact CE2-CG 3.57Å; F21-M26 HydrophobicContact CE2-SD 3.95Å; F21-M26 HydrophobicContact CZ-CG 4.07Å; F21-R64 HydrophobicContact CE1-CB 4.13Å; F21-R64 HydrophobicContact CZ-CB 4.19Å; F21-R64 PolarHBondContact O-NH2 3.09Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.21Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.38Å; F21-L71 HydrophobicContact CE2-CB 4.41Å; F21-L71 HydrophobicContact CZ-CB 4.24Å
22	S	92.8	Very high	94.3	Very high	59 Å²	59	39 Å²	39	41%	0.413	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-67	-11.9	179.2	56.4	0	0	0	0	114.7	T20 S45	T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 PolarHBondContact O-N 2.94Å; T20-S22 VanDerWaalsContact O-N 3.17Å; S22-S45 WeakPolarHBondContact O-CB 3.43Å
23	S	91.4	Very high	94	Very high	63 Å²	63	43.8 Å²	43.8	44%	0.441	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-90	-9.9	177.9	-55.4	0	0	0	0	113.6	T20 F21	T20-S23 WeakPolarHBondContact CG2-OG 3.42Å; T20-S23 WeakPolarHBondContact O-CB 3.46Å; T20-S23 PolarHBondContact O-N 2.82Å; F21-S23 PolarHBondContact O-N 2.98Å
24	Y	91.4	Very high	93.8	Very high	42 Å²	42	45 Å²	45	17%	0.165	30%	0.299	C	S	.	.	S	Bend	trans	-123.2	145.4	-172	-63.4	-89	0	0	0	113.3	F19 T20 F21 S45 R64 R90 F93	F19-Y24 HydrophobicContact CB-CE2 4.45Å; F19-Y24 AromaticContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CD2 3.61Å; F19-Y24 HydrophobicContact CD2-CE2 4.03Å; F19-Y24 HydrophobicContact CD2-CG 4.39Å; F19-Y24 HydrophobicContact CE2-CD2 4.13Å; T20-Y24 VanDerWaalsContact O-CD2 3.31Å; T20-Y24 WeakPolarHBondContact O-CD2 3.37Å; F21-Y24 PolarHBondContact O-N 3.03Å; Y24-S45 VanDerWaalsContact O-CA 3.31Å; Y24-S45 WeakPolarHBondContact O-CA 3.31Å; Y24-R64 PolarHBondContact O-NH1 2.93Å; Y24-R90 HydrophobicContact CD1-CG 4.16Å; Y24-R90 HydrophobicContact CG-CG 4Å; Y24-F93 HydrophobicContact CD1-CE1 4.47Å; Y24-F93 HydrophobicContact CD1-CZ 4.39Å; Y24-F93 HydrophobicContact CE1-CD1 4.44Å; Y24-F93 HydrophobicContact CE1-CD2 4.27Å; Y24-F93 AromaticContact CE1-CE1 3.82Å; Y24-F93 HydrophobicContact CE1-CE1 3.82Å; Y24-F93 AromaticContact CE1-CE2 3.62Å; Y24-F93 HydrophobicContact CE1-CE2 3.62Å; Y24-F93 AromaticContact CE1-CZ 3.37Å; Y24-F93 HydrophobicContact CE1-CZ 3.37Å; Y24-F93 AromaticContact CZ-CZ 3.64Å; Y24-F93 WeakPolarHBondContact OH-CZ 3.41Å
25	G	93	Very high	93.5	Very high	14 Å²	14	52.1 Å²	52.1	14%	0.144	33%	0.327	C	S	.	.			trans	-67.4	148.8	161	0	0	0	0	0	110.5	I43 D91	G25-I43 VanDerWaalsContact CA-O 3.32Å; G25-I43 WeakPolarHBondContact CA-O 3.47Å; G25-D91 VanDerWaalsContact C-OD2 3.23Å; G25-D91 WeakPolarHBondContact CA-OD2 3.43Å; G25-D91 PolarHBondContact O-N 2.99Å
26	M	95.3	Very high	93.3	Very high	5 Å²	5	55 Å²	55	3%	0.025	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.1	-177.2	-63.7	-65.2	-58	0	0	109.5	F19 F21 T42 I43 L71 A89 R90 D91	F19-M26 HydrophobicContact CE2-SD 4.18Å; F19-M26 HydrophobicContact CZ-CE 4.4Å; F19-M26 HydrophobicContact CZ-SD 4.05Å; F21-M26 HydrophobicContact CD2-CG 4.19Å; F21-M26 HydrophobicContact CD2-SD 4.16Å; F21-M26 HydrophobicContact CE2-CE 4.06Å; F21-M26 HydrophobicContact CE2-CG 3.57Å; F21-M26 HydrophobicContact CE2-SD 3.95Å; F21-M26 HydrophobicContact CZ-CG 4.07Å; M26-T42 WeakPolarHBondContact O-CA 3.35Å; M26-I43 HydrophobicContact CB-CG2 4.24Å; M26-I43 PolarHBondContact N-O 3.43Å; M26-I43 PolarHBondContact O-N 2.87Å; M26-L71 HydrophobicContact CB-CD1 3.75Å; M26-L71 HydrophobicContact CB-CD2 3.87Å; M26-L71 HydrophobicContact CB-CG 4.36Å; M26-L71 HydrophobicContact CE-CD2 4.47Å; M26-A89 WeakPolarHBondContact CA-O 3.34Å; M26-R90 HydrophobicContact CE-CB 4.41Å; M26-R90 HydrophobicContact SD-CB 3.95Å; M26-R90 HydrophobicContact SD-CG 3.9Å; M26-D91 PolarHBondContact N-OD2 2.99Å
27	S	96.2	Very high	93.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.8	-176.2	-58.7	0	0	0	0	111.8	W39 A41 T42 C88 A89 D91	S27-W39 VanDerWaalsContact OG-CZ2 3.22Å; S27-W39 WeakPolarHBondContact OG-CZ2 3.32Å; S27-A41 CarbonylContact C-O 3.46Å; S27-A41 WeakPolarHBondContact CA-O 3.27Å; S27-A41 WeakPolarHBondContact CB-O 3.22Å; S27-T42 PolarHBondContact OG-OG1 3.17Å; S27-C88 CarbonylContact O-C 3.48Å; S27-C88 WeakPolarHBondContact O-CA 3.31Å; S27-A89 PolarHBondContact N-O 2.79Å; S27-A89 PolarHBondContact O-N 2.8Å; S27-D91 PolarHBondContact OG-OD1 3.35Å; S27-D91 PolarHBondContact OG-OD2 2.97Å
28	W	97.6	Very high	93.4	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.015	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.4	162.6	-75.6	95.8	0	0	0	109.2	L12 C14 V40 A41 L71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.73Å; L12-W28 HydrophobicContact CB-CZ2 3.98Å; L12-W28 HydrophobicContact CB-CZ3 4.27Å; L12-W28 HydrophobicContact CD1-CE3 4.43Å; L12-W28 HydrophobicContact CD1-CH2 4.35Å; L12-W28 HydrophobicContact CD1-CZ3 4.04Å; C14-W28 HydrophobicContact CB-CH2 3.86Å; C14-W28 HydrophobicContact CB-CZ2 3.86Å; W28-V40 HydrophobicContact CB-CB 4.06Å; W28-V40 HydrophobicContact CB-CG1 4.46Å; W28-V40 WeakPolarHBondContact O-CA 3.34Å; W28-V40 WeakPolarHBondContact O-CB 3.37Å; W28-V40 PolarHBondContact O-N 3.33Å; W28-A41 PolarHBondContact N-O 3.16Å; W28-A41 PolarHBondContact O-N 3.37Å; W28-L71 HydrophobicContact CD2-CD2 4.47Å; W28-L71 HydrophobicContact CG-CD2 4.35Å; W28-L71 HydrophobicContact CZ2-CD2 4.48Å; W28-L71 VanDerWaalsContact NE1-CD2 3.28Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 4.12Å; W28-L73 HydrophobicContact CD2-CD2 4.26Å; W28-L73 HydrophobicContact CG-CB 4.11Å; W28-L73 HydrophobicContact CG-CD1 4.44Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.43Å; W28-L73 HydrophobicContact CZ2-CB 4.38Å; W28-Y87 WeakPolarHBondContact CA-O 3.35Å; W28-Y87 VanDerWaalsContact CE3-C 3.48Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.32Å; W28-C88 HydrophobicContact CH2-CB 4.23Å; W28-C88 HydrophobicContact CZ2-CB 4.33Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å
29	V	96.8	Very high	93.6	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.7	175.5	-173.7	0	0	0	0	107.2	L37 E38 Y87 F99 W102	V29-L37 HydrophobicContact CG1-CB 4.46Å; V29-L37 HydrophobicContact CG1-CD2 4.18Å; V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.34Å; V29-E38 WeakPolarHBondContact CG1-O 3.2Å; V29-Y87 PolarHBondContact N-O 2.79Å; V29-Y87 PolarHBondContact O-N 2.89Å; V29-F99 HydrophobicContact CG2-CE1 4.39Å; V29-F99 HydrophobicContact CG2-CE2 3.62Å; V29-F99 HydrophobicContact CG2-CZ 3.37Å; V29-W102 HydrophobicContact CB-CH2 3.87Å; V29-W102 HydrophobicContact CB-CZ3 3.63Å; V29-W102 HydrophobicContact CG1-CH2 3.75Å; V29-W102 HydrophobicContact CG1-CZ3 3.85Å; V29-W102 HydrophobicContact CG2-CH2 3.85Å; V29-W102 HydrophobicContact CG2-CZ3 3.95Å
30	R	96.8	Very high	94	Very high	14 Å²	14	53.2 Å²	53.2	5%	0.053	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.7	173.6	70.9	-176.9	-177.7	-178.1	6.1	111.4	L37 E38 V40 D82 A84 M85 Y86	R30-L37 CarbonylContact O-C 3.4Å; R30-L37 WeakPolarHBondContact O-CA 3.21Å; R30-E38 HydrophobicContact CG-CB 3.95Å; R30-E38 IonicContact CZ-OE2 3.27Å; R30-E38 VanDerWaalsContact CZ-OE2 3.27Å; R30-E38 PolarHBondContact N-O 2.68Å; R30-E38 IonicContact NE-OE2 2.87Å; R30-E38 PolarHBondContact NE-OE2 2.91Å; R30-E38 IonicContact NH2-OE2 2.79Å; R30-E38 PolarHBondContact NH2-OE2 3.32Å; R30-E38 PolarHBondContact O-N 3.32Å; R30-V40 HydrophobicContact CB-CG2 3.8Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; R30-D82 IonicContact CZ-OD1 4Å; R30-D82 IonicContact NH1-OD1 2.89Å; R30-D82 PolarHBondContact NH1-OD1 2.88Å; R30-A84 HydrophobicContact CB-CB 3.85Å; R30-A84 HydrophobicContact CG-CB 4.17Å; R30-M85 CarbonylContact C-O 3.59Å; R30-M85 WeakPolarHBondContact CA-O 3.13Å; R30-Y86 HydrophobicContact CB-CD1 3.86Å; R30-Y86 HydrophobicContact CB-CD2 4.42Å; R30-Y86 HydrophobicContact CB-CE1 3.8Å; R30-Y86 HydrophobicContact CB-CE2 4.36Å; R30-Y86 HydrophobicContact CB-CG 4.17Å; R30-Y86 WeakPolarHBondContact CD-OH 3.46Å; R30-Y86 HydrophobicContact CG-CE1 4.42Å; R30-Y86 PolarHBondContact NH1-OH 2.95Å
31	Q	96.8	Very high	94.3	Very high	63 Å²	63	49 Å²	49	29%	0.294	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.5	167.1	-170.7	175.2	40.4	0	0	108.7	R36 L37 A84 M85 Y87	Q31-R36 WeakPolarHBondContact CA-O 3.08Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 4.16Å; Q31-A84 WeakPolarHBondContact O-CA 3.48Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.41Å; Q31-M85 HydrophobicContact CB-CB 4.41Å; Q31-M85 PolarHBondContact N-O 2.94Å; Q31-M85 PolarHBondContact O-N 3.29Å; Q31-Y87 HydrophobicContact CB-CE2 3.81Å
32	T	94.7	Very high	94.4	Very high	13 Å²	13	49.8 Å²	49.8	8%	0.08	25%	0.253	C	S	.	.			trans	-70.9	164.7	177.3	53.1	0	0	0	0	111.2	D34 K35 R36 E38	T32-D34 WeakPolarHBondContact CB-OD1 3.4Å; T32-D34 PolarHBondContact O-N 3.15Å; T32-D34 PolarHBondContact OG1-OD1 3.23Å; T32-K35 WeakPolarHBondContact O-CA 3.45Å; T32-K35 PolarHBondContact O-N 2.91Å; T32-R36 PolarHBondContact N-O 3.1Å; T32-R36 WeakPolarHBondContact OG1-CB 3.25Å; T32-R36 PolarHBondContact OG1-N 3.05Å; T32-R36 PolarHBondContact OG1-O 3.25Å; T32-R36 VanDerWaalsContact OG1-O 3.09Å; T32-E38 HydrophobicContact CG2-CG 4.42Å
33	P	92.1	Very high	94.6	Very high	106 Å²	106	47.3 Å²	47.3	69%	0.688	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-29.2	-179.9	-27.4	36.5	0	0	0	114.6	K35 T83	P33-K35 PolarHBondContact O-N 3.16Å; P33-T83 WeakPolarHBondContact CD-O 3.19Å
34	D	93.1	Very high	94.7	Very high	107 Å²	107	45.4 Å²	45.4	57%	0.572	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	11.4	171.9	64.2	-41.2	0	0	0	113.5	T32 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.4Å; T32-D34 PolarHBondContact O-N 3.15Å; T32-D34 PolarHBondContact OG1-OD1 3.23Å; D34-R36 PolarHBondContact O-N 3.14Å
35	K	89.6	Confident	94.8	Very high	168 Å²	168	44.7 Å²	44.7	73%	0.73	22%	0.223	S	C	*	.			trans	66.9	12.8	177.3	-53.2	-179.6	-179.9	178.4	0	115	T32 P33	T32-K35 WeakPolarHBondContact O-CA 3.45Å; T32-K35 PolarHBondContact O-N 2.91Å; P33-K35 PolarHBondContact O-N 3.16Å
36	R	93.1	Very high	94.4	Very high	142 Å²	142	46.8 Å²	46.8	54%	0.536	25%	0.245	S	C	.	.			trans	-73.5	130.5	173.2	-177.4	171.4	71.2	-155.8	2.6	110.1	Q31 T32 D34 E38	Q31-R36 WeakPolarHBondContact CA-O 3.08Å; T32-R36 PolarHBondContact N-O 3.1Å; T32-R36 WeakPolarHBondContact OG1-CB 3.25Å; T32-R36 PolarHBondContact OG1-N 3.05Å; T32-R36 PolarHBondContact OG1-O 3.25Å; T32-R36 VanDerWaalsContact OG1-O 3.09Å; D34-R36 PolarHBondContact O-N 3.14Å; R36-E38 HydrophobicContact CG-CG 4.2Å; R36-E38 IonicContact CZ-OE1 3.13Å; R36-E38 IonicContact NE-OE1 2.83Å; R36-E38 PolarHBondContact NE-OE1 2.86Å; R36-E38 IonicContact NH2-OE1 2.65Å; R36-E38 PolarHBondContact NH2-OE1 3.05Å
37	L	93.6	Very high	94.3	Very high	100 Å²	100	48 Å²	48	52%	0.524	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126	171.3	-73.2	170.9	0	0	0	109.6	V29 R30 Q31	V29-L37 HydrophobicContact CG1-CB 4.46Å; V29-L37 HydrophobicContact CG1-CD2 4.18Å; R30-L37 CarbonylContact O-C 3.4Å; R30-L37 WeakPolarHBondContact O-CA 3.21Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 4.16Å
38	E	94.7	Very high	94	Very high	33 Å²	33	53.5 Å²	53.5	15%	0.154	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.5	-179.9	-65.2	-176.5	171.3	0	0	110.1	V29 R30 T32 R36	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.34Å; V29-E38 WeakPolarHBondContact CG1-O 3.2Å; R30-E38 HydrophobicContact CG-CB 3.95Å; R30-E38 IonicContact CZ-OE2 3.27Å; R30-E38 VanDerWaalsContact CZ-OE2 3.27Å; R30-E38 PolarHBondContact N-O 2.68Å; R30-E38 IonicContact NE-OE2 2.87Å; R30-E38 PolarHBondContact NE-OE2 2.91Å; R30-E38 IonicContact NH2-OE2 2.79Å; R30-E38 PolarHBondContact NH2-OE2 3.32Å; R30-E38 PolarHBondContact O-N 3.32Å; T32-E38 HydrophobicContact CG2-CG 4.42Å; R36-E38 HydrophobicContact CG-CG 4.2Å; R36-E38 IonicContact CZ-OE1 3.13Å; R36-E38 IonicContact NE-OE1 2.83Å; R36-E38 PolarHBondContact NE-OE1 2.86Å; R36-E38 IonicContact NH2-OE1 2.65Å; R36-E38 PolarHBondContact NH2-OE1 3.05Å
39	W	94.6	Very high	93.9	Very high	89 Å²	89	59.8 Å²	59.8	34%	0.337	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141	169.5	-148.4	-81.3	0	0	0	110.2	S27 T42 P53 F99	S27-W39 VanDerWaalsContact OG-CZ2 3.22Å; S27-W39 WeakPolarHBondContact OG-CZ2 3.32Å; W39-T42 VanDerWaalsContact CE2-OG1 3.26Å; W39-T42 VanDerWaalsContact CZ2-OG1 3.27Å; W39-T42 WeakPolarHBondContact CZ2-OG1 3.42Å; W39-T42 PolarHBondContact NE1-OG1 2.98Å; W39-P53 WeakPolarHBondContact O-CG 3.29Å; W39-F99 HydrophobicContact CD2-CZ 4.03Å; W39-F99 AromaticContact CE2-CZ 3.92Å; W39-F99 AromaticContact CE3-CE2 3.8Å; W39-F99 HydrophobicContact CE3-CE2 3.8Å; W39-F99 AromaticContact CE3-CZ 3.52Å; W39-F99 HydrophobicContact CE3-CZ 3.52Å; W39-F99 HydrophobicContact CH2-CD1 4.24Å; W39-F99 AromaticContact CH2-CE1 3.2Å; W39-F99 HydrophobicContact CH2-CE1 3.2Å; W39-F99 AromaticContact CH2-CE2 3.59Å; W39-F99 HydrophobicContact CH2-CE2 3.59Å; W39-F99 AromaticContact CH2-CZ 2.87Å; W39-F99 HydrophobicContact CH2-CZ 2.87Å; W39-F99 AromaticContact CZ2-CE1 3.59Å; W39-F99 HydrophobicContact CZ2-CE1 3.59Å; W39-F99 HydrophobicContact CZ2-CE2 4.45Å; W39-F99 AromaticContact CZ2-CZ 3.39Å; W39-F99 HydrophobicContact CZ2-CZ 3.39Å; W39-F99 HydrophobicContact CZ3-CD2 4.26Å; W39-F99 AromaticContact CZ3-CE1 3.78Å; W39-F99 HydrophobicContact CZ3-CE1 3.78Å; W39-F99 AromaticContact CZ3-CE2 3.18Å; W39-F99 HydrophobicContact CZ3-CE2 3.18Å; W39-F99 AromaticContact CZ3-CZ 2.93Å; W39-F99 HydrophobicContact CZ3-CZ 2.93Å
40	V	96.9	Very high	93.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-48.4	-179.2	179.8	0	0	0	0	111.3	W28 R30 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.06Å; W28-V40 HydrophobicContact CB-CG1 4.46Å; W28-V40 WeakPolarHBondContact O-CA 3.34Å; W28-V40 WeakPolarHBondContact O-CB 3.37Å; W28-V40 PolarHBondContact O-N 3.33Å; R30-V40 HydrophobicContact CB-CG2 3.8Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; V40-P53 WeakPolarHBondContact O-CD 3.2Å; V40-V56 HydrophobicContact CG1-CG2 4.34Å; V40-V56 WeakPolarHBondContact O-CG2 3.38Å; V40-F60 HydrophobicContact CG1-CD2 3.64Å; V40-F60 HydrophobicContact CG1-CE2 4.09Å; V40-L73 HydrophobicContact CG1-CD1 4.41Å; V40-L73 HydrophobicContact CG1-CD2 3.89Å; V40-Y86 HydrophobicContact CG1-CE1 4.41Å; V40-Y86 HydrophobicContact CG2-CD1 4.35Å; V40-Y86 HydrophobicContact CG2-CE1 4.05Å
41	A	97.2	Very high	93.8	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	154.1	177.5	0	0	0	0	0	111.1	S27 W28 Y51 Y52 I62 L73	S27-A41 CarbonylContact C-O 3.46Å; S27-A41 WeakPolarHBondContact CA-O 3.27Å; S27-A41 WeakPolarHBondContact CB-O 3.22Å; W28-A41 PolarHBondContact N-O 3.16Å; W28-A41 PolarHBondContact O-N 3.37Å; A41-Y51 CarbonylContact C-O 3.58Å; A41-Y51 VanDerWaalsContact CA-O 3.27Å; A41-Y51 WeakPolarHBondContact CA-O 3.36Å; A41-Y52 HydrophobicContact CB-CD1 3.66Å; 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 3.95Å; A41-L73 HydrophobicContact CB-CD1 4.27Å
42	T	95.9	Very high	93.8	Very high	20 Å²	20	66 Å²	66	12%	0.123	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.9	171	-68.6	0	0	0	0	110.4	M26 S27 W39 T50 Y51	M26-T42 WeakPolarHBondContact O-CA 3.35Å; S27-T42 PolarHBondContact OG-OG1 3.17Å; W39-T42 VanDerWaalsContact CE2-OG1 3.26Å; W39-T42 VanDerWaalsContact CZ2-OG1 3.27Å; W39-T42 WeakPolarHBondContact CZ2-OG1 3.42Å; W39-T42 PolarHBondContact NE1-OG1 2.98Å; T42-T50 CarbonylContact O-C 3.53Å; T42-T50 WeakPolarHBondContact O-CA 3.17Å; T42-Y51 PolarHBondContact N-O 2.87Å; T42-Y51 PolarHBondContact O-N 3.26Å
43	I	95.9	Very high	93.9	Very high	7 Å²	7	66.3 Å²	66.3	4%	0.036	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.7	171	-170.9	160.4	0	0	0	110.5	G25 M26 Y49 T50 I62 R64 L71	G25-I43 VanDerWaalsContact CA-O 3.32Å; G25-I43 WeakPolarHBondContact CA-O 3.47Å; M26-I43 HydrophobicContact CB-CG2 4.24Å; M26-I43 PolarHBondContact N-O 3.43Å; M26-I43 PolarHBondContact O-N 2.87Å; I43-Y49 WeakPolarHBondContact CA-O 3.48Å; I43-T50 HydrophobicContact CB-CG2 4.12Å; I43-T50 HydrophobicContact CD1-CG2 3.9Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; I43-I62 HydrophobicContact CB-CD1 4Å; I43-I62 HydrophobicContact CB-CG1 4.21Å; I43-I62 HydrophobicContact CB-CG2 3.96Å; I43-I62 HydrophobicContact CG2-CD1 3.7Å; I43-I62 HydrophobicContact CG2-CG1 3.99Å; I43-R64 HydrophobicContact CD1-CB 4.29Å; I43-R64 HydrophobicContact CD1-CG 3.76Å; I43-R64 HydrophobicContact CG1-CG 4.39Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å
44	S	94.1	Very high	94	Very high	23 Å²	23	67.9 Å²	67.9	16%	0.161	36%	0.355	C	S	.	.			trans	-66.1	164.8	177.7	67.8	0	0	0	0	112.3	G46 G47 S48 Y49 R64	S44-G46 VanDerWaalsContact C-N 3.27Å; S44-G46 PolarHBondContact O-N 3.04Å; S44-G47 PolarHBondContact O-N 2.73Å; S44-G47 PolarHBondContact OG-N 2.78Å; S44-S48 PolarHBondContact OG-N 2.76Å; S44-S48 PolarHBondContact OG-OG 2.82Å; S44-Y49 PolarHBondContact N-O 3Å; S44-Y49 PolarHBondContact OG-N 3Å; S44-Y49 VanDerWaalsContact OG-N 3.16Å; S44-R64 PolarHBondContact O-NH1 2.86Å
45	S	92.1	Very high	94	Very high	26 Å²	26	65.8 Å²	65.8	18%	0.182	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-41.4	179.4	57.7	0	0	0	0	113.8	S22 Y24 R64	S22-S45 WeakPolarHBondContact O-CB 3.43Å; Y24-S45 VanDerWaalsContact O-CA 3.31Å; Y24-S45 WeakPolarHBondContact O-CA 3.31Å; S45-R64 PolarHBondContact O-NE 3.17Å; S45-R64 PolarHBondContact O-NH1 3.14Å; S45-R64 VanDerWaalsContact O-NH1 3.11Å; S45-R64 PolarHBondContact O-NH2 2.96Å
46	G	86.4	Confident	94.3	Very high	59 Å²	59	57.8 Å²	57.8	61%	0.608	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-7.3	176.5	0	0	0	0	0	115	S44 S48	S44-G46 VanDerWaalsContact C-N 3.27Å; S44-G46 PolarHBondContact O-N 3.04Å; G46-S48 PolarHBondContact O-N 2.72Å
47	G	91.5	Very high	94.4	Very high	31 Å²	31	57.4 Å²	57.4	32%	0.32	32%	0.316	S	S	.	.	S	Bend	trans	76.1	1.9	-176	0	0	0	0	0	115.4	S44 Y49	S44-G47 PolarHBondContact O-N 2.73Å; S44-G47 PolarHBondContact OG-N 2.78Å; G47-Y49 VanDerWaalsContact C-N 3.32Å; G47-Y49 PolarHBondContact O-N 2.83Å
48	S	91.4	Very high	94.5	Very high	115 Å²	115	56.6 Å²	56.6	80%	0.804	33%	0.331	S	S	*	.			trans	-73.2	-22.9	-177.7	55.7	0	0	0	0	114	S44 G46	S44-S48 PolarHBondContact OG-N 2.76Å; S44-S48 PolarHBondContact OG-OG 2.82Å; G46-S48 PolarHBondContact O-N 2.72Å
49	Y	94.3	Very high	94.7	Very high	135 Å²	135	56.7 Å²	56.7	53%	0.529	33%	0.331	S	S	.	.			trans	-123.7	133	-179.3	175.7	-94.5	0	0	0	109.7	I43 S44 G47	I43-Y49 WeakPolarHBondContact CA-O 3.48Å; S44-Y49 PolarHBondContact N-O 3Å; S44-Y49 PolarHBondContact OG-N 3Å; S44-Y49 VanDerWaalsContact OG-N 3.16Å; G47-Y49 VanDerWaalsContact C-N 3.32Å; G47-Y49 PolarHBondContact O-N 2.83Å
50	T	96.4	Very high	94.8	Very high	57 Å²	57	52.6 Å²	52.6	35%	0.35	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146	171	57	0	0	0	0	110.4	T42 I43 I62	T42-T50 CarbonylContact O-C 3.53Å; T42-T50 WeakPolarHBondContact O-CA 3.17Å; I43-T50 HydrophobicContact CB-CG2 4.12Å; I43-T50 HydrophobicContact CD1-CG2 3.9Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; T50-I62 HydrophobicContact CG2-CG2 3.73Å
51	Y	95.7	Very high	94.9	Very high	113 Å²	113	56.1 Å²	56.1	44%	0.443	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.9	174.9	174.1	-97.4	0	0	0	110.1	A41 T42	A41-Y51 CarbonylContact C-O 3.58Å; A41-Y51 VanDerWaalsContact CA-O 3.27Å; A41-Y51 WeakPolarHBondContact CA-O 3.36Å; T42-Y51 PolarHBondContact N-O 2.87Å; T42-Y51 PolarHBondContact O-N 3.26Å
52	Y	96.8	Very high	94.9	Very high	41 Å²	41	56.4 Å²	56.4	16%	0.161	34%	0.338	C	S	.	.			trans	-137.5	134.4	175.8	-54.4	-88.3	0	0	0	109.2	A41 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.66Å; A41-Y52 HydrophobicContact CB-CE1 3.69Å; Y52-F60 VanDerWaalsContact CE1-O 3.25Å; Y52-F60 WeakPolarHBondContact CE1-O 3.27Å; Y52-T61 WeakPolarHBondContact OH-CA 3.25Å; Y52-I62 HydrophobicContact CE1-CB 4.28Å; Y52-I62 HydrophobicContact CE1-CG2 3.94Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.33Å; Y52-I62 PolarHBondContact OH-N 3.06Å
53	P	95.6	Very high	95	Very high	21 Å²	21	57.7 Å²	57.7	14%	0.136	35%	0.348	C	S	.	.			trans	-72.1	157.6	168.1	32.2	-32.4	0	0	0	110.9	W39 V40 S55 V56 K57	W39-P53 WeakPolarHBondContact O-CG 3.29Å; V40-P53 WeakPolarHBondContact O-CD 3.2Å; P53-S55 PolarHBondContact O-N 2.7Å; P53-S55 VanDerWaalsContact O-N 3.1Å; P53-V56 HydrophobicContact CG-CG2 3.87Å; P53-V56 PolarHBondContact O-N 3.26Å; P53-V56 VanDerWaalsContact O-N 3.14Å; P53-K57 WeakPolarHBondContact O-CB 3.27Å; P53-K57 PolarHBondContact O-N 2.93Å
54	D	95.1	Very high	95.1	Very high	139 Å²	139	59 Å²	59	74%	0.743	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.2	-175	-65.2	-33.7	0	0	0	113.6	V56	D54-V56 PolarHBondContact O-N 2.98Å
55	S	93.2	Very high	95.2	Very high	62 Å²	62	59.9 Å²	59.9	43%	0.434	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.8	177.7	56.6	0	0	0	0	114.1	P53 R59	P53-S55 PolarHBondContact O-N 2.7Å; P53-S55 VanDerWaalsContact O-N 3.1Å; S55-R59 PolarHBondContact O-NH2 2.94Å
56	V	96.3	Very high	95.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-6.2	-176.4	-60.1	0	0	0	0	113.6	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG2 4.34Å; V40-V56 WeakPolarHBondContact O-CG2 3.38Å; P53-V56 HydrophobicContact CG-CG2 3.87Å; P53-V56 PolarHBondContact O-N 3.26Å; P53-V56 VanDerWaalsContact O-N 3.14Å; D54-V56 PolarHBondContact O-N 2.98Å; V56-G58 PolarHBondContact O-N 2.79Å; V56-R59 PolarHBondContact O-N 3.1Å; V56-F60 HydrophobicContact CB-CB 4.15Å; V56-F60 HydrophobicContact CB-CD2 3.66Å; V56-F60 HydrophobicContact CB-CE2 4.13Å; V56-F60 HydrophobicContact CB-CG 3.87Å; V56-F60 HydrophobicContact CG1-CD2 3.64Å; V56-F60 HydrophobicContact CG1-CE2 3.6Å; V56-F60 HydrophobicContact CG1-CG 4.27Å; V56-F60 HydrophobicContact CG1-CZ 4.19Å; V56-F60 HydrophobicContact CG2-CB 4.46Å; V56-F60 HydrophobicContact CG2-CD2 4.26Å; V56-F60 PolarHBondContact O-N 3.49Å
57	K	95.1	Very high	95.8	Very high	134 Å²	134	63.6 Å²	63.6	58%	0.583	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	131.9	-179.3	-165.5	173.3	-174.3	177.4	0	111	P53 R59	P53-K57 WeakPolarHBondContact O-CB 3.27Å; P53-K57 PolarHBondContact O-N 2.93Å; K57-R59 PolarHBondContact O-N 2.98Å
58	G	95.9	Very high	96	Very high	83 Å²	83	68.6 Å²	68.6	86%	0.856	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-6.4	-177.3	0	0	0	0	0	115.2	V56	V56-G58 PolarHBondContact O-N 2.79Å
59	R	97.5	Very high	96.3	Very high	36 Å²	36	64.9 Å²	64.9	14%	0.136	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-40.2	176.1	-61.9	-167.3	-57.2	118.5	0.5	112.1	S55 V56 K57 S76 S77 D82	S55-R59 PolarHBondContact O-NH2 2.94Å; V56-R59 PolarHBondContact O-N 3.1Å; K57-R59 PolarHBondContact O-N 2.98Å; R59-S76 WeakPolarHBondContact CB-O 3.32Å; R59-S76 WeakPolarHBondContact O-CB 3.26Å; R59-S76 PolarHBondContact O-N 3.3Å; R59-S77 PolarHBondContact NH1-O 3.34Å; R59-D82 IonicContact CZ-OD1 3.84Å; R59-D82 IonicContact CZ-OD2 3.45Å; R59-D82 IonicContact NH1-OD1 3.78Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 2.8Å; R59-D82 IonicContact NH2-OD1 2.95Å; R59-D82 PolarHBondContact NH2-OD1 2.79Å; R59-D82 IonicContact NH2-OD2 3.32Å; R59-D82 PolarHBondContact NH2-OD2 3.26Å
60	F	98	Very high	96.4	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.013	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.1	-175.6	-64.7	6.6	0	0	0	110.8	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.64Å; V40-F60 HydrophobicContact CG1-CE2 4.09Å; Y52-F60 VanDerWaalsContact CE1-O 3.25Å; Y52-F60 WeakPolarHBondContact CE1-O 3.27Å; V56-F60 HydrophobicContact CB-CB 4.15Å; V56-F60 HydrophobicContact CB-CD2 3.66Å; V56-F60 HydrophobicContact CB-CE2 4.13Å; V56-F60 HydrophobicContact CB-CG 3.87Å; V56-F60 HydrophobicContact CG1-CD2 3.64Å; V56-F60 HydrophobicContact CG1-CE2 3.6Å; V56-F60 HydrophobicContact CG1-CG 4.27Å; V56-F60 HydrophobicContact CG1-CZ 4.19Å; V56-F60 HydrophobicContact CG2-CB 4.46Å; V56-F60 HydrophobicContact CG2-CD2 4.26Å; V56-F60 PolarHBondContact O-N 3.49Å; F60-L73 HydrophobicContact CB-CD1 4.26Å; F60-L73 HydrophobicContact CD2-CD2 4.35Å; F60-Q74 CarbonylContact C-O 3.43Å; F60-Q74 VanDerWaalsContact CA-O 3.26Å; F60-Q74 WeakPolarHBondContact CA-O 3.44Å; F60-M75 HydrophobicContact CD1-CB 3.78Å; F60-M75 HydrophobicContact CD1-CG 4.06Å; F60-M75 HydrophobicContact CD2-CG 3.98Å; F60-M75 HydrophobicContact CE1-CB 3.68Å; F60-M75 HydrophobicContact CE1-CG 4.08Å; F60-M75 HydrophobicContact CE2-CB 4.47Å; F60-M75 HydrophobicContact CE2-CG 3.98Å; F60-M75 HydrophobicContact CE2-SD 4.04Å; F60-M75 HydrophobicContact CG-CB 4.28Å; F60-M75 HydrophobicContact CG-CG 4.05Å; F60-M75 HydrophobicContact CZ-CB 4.05Å; F60-M75 HydrophobicContact CZ-CG 4.04Å; F60-M75 HydrophobicContact CZ-SD 4.17Å; F60-L78 HydrophobicContact CE1-CD2 3.98Å; F60-L78 HydrophobicContact CZ-CD2 3.86Å; F60-D82 HydrophobicContact CZ-CB 4.23Å; F60-Y86 HydrophobicContact CE2-CE1 4.38Å
61	T	98.2	Very high	96.5	Very high	74 Å²	74	56.5 Å²	56.5	45%	0.454	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	116.6	179.8	-55.5	0	0	0	0	109.7	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.25Å; T61-Q74 PolarHBondContact N-O 2.86Å; T61-Q74 PolarHBondContact O-N 2.69Å
62	I	98.4	Very high	96.6	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	139.4	171.8	-166.1	170	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 3.95Å; I43-I62 HydrophobicContact CB-CD1 4Å; I43-I62 HydrophobicContact CB-CG1 4.21Å; I43-I62 HydrophobicContact CB-CG2 3.96Å; I43-I62 HydrophobicContact CG2-CD1 3.7Å; I43-I62 HydrophobicContact CG2-CG1 3.99Å; T50-I62 HydrophobicContact CG2-CG2 3.73Å; Y52-I62 HydrophobicContact CE1-CB 4.28Å; Y52-I62 HydrophobicContact CE1-CG2 3.94Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.33Å; Y52-I62 PolarHBondContact OH-N 3.06Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.44Å; I62-L71 HydrophobicContact CD1-CG 4.48Å; I62-L71 HydrophobicContact CG1-CD1 3.98Å; I62-Y72 WeakPolarHBondContact CA-O 3.44Å; I62-L73 HydrophobicContact CB-CD1 4.35Å
63	S	98	Very high	96.7	Very high	46 Å²	46	51.3 Å²	51.3	32%	0.322	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163	173.2	54	0	0	0	0	110.3	Y72	S63-Y72 PolarHBondContact N-O 3Å; S63-Y72 PolarHBondContact O-N 3.43Å
64	R	97.6	Very high	96.8	Very high	35 Å²	35	53.3 Å²	53.3	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149	-177.3	65.5	-177.7	-68.9	152.7	4.3	110.9	F21 Y24 I43 S44 S45 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.13Å; F21-R64 HydrophobicContact CZ-CB 4.19Å; F21-R64 PolarHBondContact O-NH2 3.09Å; Y24-R64 PolarHBondContact O-NH1 2.93Å; I43-R64 HydrophobicContact CD1-CB 4.29Å; I43-R64 HydrophobicContact CD1-CG 3.76Å; I43-R64 HydrophobicContact CG1-CG 4.39Å; S44-R64 PolarHBondContact O-NH1 2.86Å; S45-R64 PolarHBondContact O-NE 3.17Å; S45-R64 PolarHBondContact O-NH1 3.14Å; S45-R64 VanDerWaalsContact O-NH1 3.11Å; S45-R64 PolarHBondContact O-NH2 2.96Å; R64-N66 PolarHBondContact NE-OD1 3.39Å; R64-N66 PolarHBondContact NH2-OD1 2.92Å; R64-T70 WeakPolarHBondContact CA-O 3.48Å; R64-L71 HydrophobicContact CB-CD1 4.23Å
65	D	96.8	Very high	97	Very high	41 Å²	41	46.7 Å²	46.7	22%	0.219	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.9	170	-176.2	-25.9	0	0	0	108.3	A67 K68 S69 T70 Y72	D65-A67 WeakPolarHBondContact OD1-CB 3.23Å; D65-A67 PolarHBondContact OD1-N 3.21Å; D65-K68 HydrophobicContact CB-CB 4.18Å; D65-K68 PolarHBondContact OD1-N 2.83Å; D65-K68 WeakPolarHBondContact OD2-CD 3.47Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.27Å; D65-K68 WeakPolarHBondContact OD2-CG 3.47Å; D65-K68 IonicContact OD2-NZ 3.44Å; D65-K68 PolarHBondContact OD2-NZ 3.26Å; D65-S69 WeakPolarHBondContact O-CA 3.16Å; D65-S69 PolarHBondContact O-N 2.86Å; D65-T70 PolarHBondContact N-O 2.81Å; D65-T70 PolarHBondContact O-N 3.04Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å
66	N	95.6	Very high	97.1	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.342	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-30.8	-178	-77.2	-14.5	0	0	0	112.9	F21 R64 K68 S69	F21-N66 WeakPolarHBondContact CD1-OD1 3.21Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.38Å; R64-N66 PolarHBondContact NE-OD1 3.39Å; R64-N66 PolarHBondContact NH2-OD1 2.92Å; N66-K68 VanDerWaalsContact C-N 3.32Å; N66-S69 PolarHBondContact O-N 2.81Å
67	A	94.9	Very high	97.1	Very high	99 Å²	99	48.8 Å²	48.8	82%	0.818	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-35.7	177.7	0	0	0	0	0	110.7	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.23Å; D65-A67 PolarHBondContact OD1-N 3.21Å
68	K	96.3	Very high	97.2	Very high	136 Å²	136	42.5 Å²	42.5	59%	0.591	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-1	177.2	-61.2	-178.5	-167	157.7	0	114.4	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.18Å; D65-K68 PolarHBondContact OD1-N 2.83Å; D65-K68 WeakPolarHBondContact OD2-CD 3.47Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.27Å; D65-K68 WeakPolarHBondContact OD2-CG 3.47Å; D65-K68 IonicContact OD2-NZ 3.44Å; D65-K68 PolarHBondContact OD2-NZ 3.26Å; N66-K68 VanDerWaalsContact C-N 3.32Å; K68-T70 PolarHBondContact O-N 2.87Å; K68-T70 VanDerWaalsContact O-N 3.13Å; K68-T70 PolarHBondContact O-OG1 3.06Å
69	S	96.3	Very high	97.1	Very high	38 Å²	38	43.4 Å²	43.4	27%	0.266	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	41	-172.4	-60.9	0	0	0	0	113	A16 D65 N66	A16-S69 WeakPolarHBondContact CB-O 3.34Å; A16-S69 PolarHBondContact N-O 2.83Å; D65-S69 WeakPolarHBondContact O-CA 3.16Å; D65-S69 PolarHBondContact O-N 2.86Å; N66-S69 PolarHBondContact O-N 2.81Å
70	T	97.4	Very high	97	Very high	16 Å²	16	44.9 Å²	44.9	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.9	-173.7	-55.9	0	0	0	0	111.5	C14 R64 D65 K68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.36Å; R64-T70 WeakPolarHBondContact CA-O 3.48Å; D65-T70 PolarHBondContact N-O 2.81Å; D65-T70 PolarHBondContact O-N 3.04Å; K68-T70 PolarHBondContact O-N 2.87Å; K68-T70 VanDerWaalsContact O-N 3.13Å; K68-T70 PolarHBondContact O-OG1 3.06Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.85Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å
71	L	98.1	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.7	170.5	-171.2	70.8	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.51Å; S13-L71 VanDerWaalsContact CA-O 3.3Å; S13-L71 WeakPolarHBondContact CA-O 3.37Å; C14-L71 HydrophobicContact CB-CB 4.37Å; C14-L71 PolarHBondContact N-O 3.47Å; C14-L71 PolarHBondContact O-N 2.65Å; F21-L71 HydrophobicContact CE2-CB 4.41Å; F21-L71 HydrophobicContact CZ-CB 4.24Å; M26-L71 HydrophobicContact CB-CD1 3.75Å; M26-L71 HydrophobicContact CB-CD2 3.87Å; M26-L71 HydrophobicContact CB-CG 4.36Å; M26-L71 HydrophobicContact CE-CD2 4.47Å; W28-L71 HydrophobicContact CD2-CD2 4.47Å; W28-L71 HydrophobicContact CG-CD2 4.35Å; W28-L71 HydrophobicContact CZ2-CD2 4.48Å; W28-L71 VanDerWaalsContact NE1-CD2 3.28Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.44Å; I62-L71 HydrophobicContact CD1-CG 4.48Å; I62-L71 HydrophobicContact CG1-CD1 3.98Å; R64-L71 HydrophobicContact CB-CD1 4.23Å; L71-C88 HydrophobicContact CD2-CB 4.05Å
72	Y	98.3	Very high	96.6	Very high	44 Å²	44	47.1 Å²	47.1	17%	0.173	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.6	178.4	-56.9	-77.4	0	0	0	111.6	L12 I62 S63 D65 T70	L12-Y72 VanDerWaalsContact O-CA 3.27Å; L12-Y72 WeakPolarHBondContact O-CA 3.08Å; I62-Y72 WeakPolarHBondContact CA-O 3.44Å; S63-Y72 PolarHBondContact N-O 3Å; S63-Y72 PolarHBondContact O-N 3.43Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.85Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å
73	L	98.4	Very high	96.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	108.5	168.5	-173	68	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 2.92Å; L12-L73 HydrophobicContact CB-CB 4.27Å; L12-L73 HydrophobicContact CD1-CD2 4.4Å; L12-L73 PolarHBondContact N-O 2.48Å; L12-L73 PolarHBondContact O-N 3.19Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 4.12Å; W28-L73 HydrophobicContact CD2-CD2 4.26Å; W28-L73 HydrophobicContact CG-CB 4.11Å; W28-L73 HydrophobicContact CG-CD1 4.44Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.43Å; W28-L73 HydrophobicContact CZ2-CB 4.38Å; V40-L73 HydrophobicContact CG1-CD1 4.41Å; V40-L73 HydrophobicContact CG1-CD2 3.89Å; A41-L73 HydrophobicContact CB-CD1 4.27Å; F60-L73 HydrophobicContact CB-CD1 4.26Å; F60-L73 HydrophobicContact CD2-CD2 4.35Å; I62-L73 HydrophobicContact CB-CD1 4.35Å; L73-M75 HydrophobicContact CD2-CG 3.8Å; L73-M75 HydrophobicContact CD2-SD 3.83Å; L73-M75 HydrophobicContact CG-CG 3.79Å; L73-M75 HydrophobicContact CG-SD 4.43Å; L73-Y86 HydrophobicContact CD2-CD1 4.21Å; L73-Y86 HydrophobicContact CD2-CE1 4.39Å
74	Q	98.2	Very high	96.5	Very high	63 Å²	63	46.2 Å²	46.2	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.7	168.1	-177.4	63.5	43.3	0	0	107.9	F60 T61	F60-Q74 CarbonylContact C-O 3.43Å; F60-Q74 VanDerWaalsContact CA-O 3.26Å; F60-Q74 WeakPolarHBondContact CA-O 3.44Å; T61-Q74 PolarHBondContact N-O 2.86Å; T61-Q74 PolarHBondContact O-N 2.69Å
75	M	97.6	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.4	177.9	-56.8	-179.6	-55.9	0	0	108	S9 L10 L12 F60 L73 L78 Y86 V108	S9-M75 CarbonylContact C-O 3.59Å; S9-M75 WeakPolarHBondContact CA-O 3.46Å; S9-M75 WeakPolarHBondContact CB-O 3.49Å; L10-M75 HydrophobicContact CB-CE 3.7Å; L10-M75 HydrophobicContact CD2-CE 3.57Å; L10-M75 HydrophobicContact CG-CE 3.8Å; L10-M75 PolarHBondContact N-O 3.47Å; L10-M75 PolarHBondContact O-N 2.96Å; L12-M75 HydrophobicContact CD1-CE 3.98Å; L12-M75 HydrophobicContact CD1-SD 4.07Å; L12-M75 HydrophobicContact CD2-CE 4.1Å; L12-M75 HydrophobicContact CG-CE 3.77Å; L12-M75 HydrophobicContact CG-SD 4.33Å; F60-M75 HydrophobicContact CD1-CB 3.78Å; F60-M75 HydrophobicContact CD1-CG 4.06Å; F60-M75 HydrophobicContact CD2-CG 3.98Å; F60-M75 HydrophobicContact CE1-CB 3.68Å; F60-M75 HydrophobicContact CE1-CG 4.08Å; F60-M75 HydrophobicContact CE2-CB 4.47Å; F60-M75 HydrophobicContact CE2-CG 3.98Å; F60-M75 HydrophobicContact CE2-SD 4.04Å; F60-M75 HydrophobicContact CG-CB 4.28Å; F60-M75 HydrophobicContact CG-CG 4.05Å; F60-M75 HydrophobicContact CZ-CB 4.05Å; F60-M75 HydrophobicContact CZ-CG 4.04Å; F60-M75 HydrophobicContact CZ-SD 4.17Å; L73-M75 HydrophobicContact CD2-CG 3.8Å; L73-M75 HydrophobicContact CD2-SD 3.83Å; L73-M75 HydrophobicContact CG-CG 3.79Å; L73-M75 HydrophobicContact CG-SD 4.43Å; M75-L78 HydrophobicContact CB-CD1 4.44Å; M75-L78 HydrophobicContact CB-CD2 3.92Å; M75-L78 HydrophobicContact CB-CG 4.18Å; M75-L78 HydrophobicContact CE-CD1 4.45Å; M75-L78 HydrophobicContact CE-CD2 4.35Å; M75-L78 HydrophobicContact SD-CD2 4.35Å; M75-Y86 HydrophobicContact SD-CD1 4.45Å; M75-Y86 HydrophobicContact SD-CE1 4.02Å; M75-V108 HydrophobicContact CE-CG1 4.14Å; M75-V108 HydrophobicContact CE-CG2 4.12Å
76	S	96.8	Very high	96.6	Very high	38 Å²	38	45.4 Å²	45.4	27%	0.266	25%	0.254	S	S	.	.			trans	-113.2	156.8	177.4	-54.8	0	0	0	0	110.1	R59 L78	R59-S76 WeakPolarHBondContact CB-O 3.32Å; R59-S76 WeakPolarHBondContact O-CB 3.26Å; R59-S76 PolarHBondContact O-N 3.3Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 3.35Å
77	S	95.8	Very high	96.7	Very high	69 Å²	69	44.5 Å²	44.5	48%	0.483	25%	0.246	S	C	.	.	S	Bend	trans	51	49.8	179.1	-54.4	0	0	0	0	111.9	G8 R59	G8-S77 PolarHBondContact O-N 2.83Å; R59-S77 PolarHBondContact NH1-O 3.34Å
78	L	96.4	Very high	96.7	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.211	C	C	.	.			trans	-61.2	141.6	-179.9	-81.5	167.3	0	0	0	111.1	V4 G7 G8 L10 F60 M75 S76 D82 V110	V4-L78 HydrophobicContact CB-CD1 4.12Å; V4-L78 HydrophobicContact CG1-CD1 3.94Å; V4-L78 HydrophobicContact CG2-CD1 4.3Å; G7-L78 PolarHBondContact N-O 3.16Å; G8-L78 PolarHBondContact O-N 3.44Å; G8-L78 VanDerWaalsContact O-N 3.1Å; L10-L78 HydrophobicContact CB-CD1 3.95Å; F60-L78 HydrophobicContact CE1-CD2 3.98Å; F60-L78 HydrophobicContact CZ-CD2 3.86Å; M75-L78 HydrophobicContact CB-CD1 4.44Å; M75-L78 HydrophobicContact CB-CD2 3.92Å; M75-L78 HydrophobicContact CB-CG 4.18Å; M75-L78 HydrophobicContact CE-CD1 4.45Å; M75-L78 HydrophobicContact CE-CD2 4.35Å; M75-L78 HydrophobicContact SD-CD2 4.35Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.75Å; L78-V110 HydrophobicContact CB-CG1 4.25Å; L78-V110 HydrophobicContact CB-CG2 4.06Å; L78-V110 HydrophobicContact CD1-CG2 4.37Å; L78-V110 HydrophobicContact CD2-CG2 4.23Å; L78-V110 HydrophobicContact CG-CG2 4.46Å
79	K	95.4	Very high	96.7	Very high	102 Å²	102	33.9 Å²	33.9	44%	0.443	18%	0.183	S	C	.	.			trans	-119.2	163.2	176.8	-52.2	179.2	-178.7	-179.6	0	110.3	E81 D82 V110	K79-E81 WeakPolarHBondContact CB-OE2 3.41Å; K79-E81 WeakPolarHBondContact CD-OE2 3.46Å; K79-E81 PolarHBondContact O-N 2.94Å; K79-E81 VanDerWaalsContact O-N 3.16Å; K79-D82 PolarHBondContact N-OD2 3.48Å; K79-D82 WeakPolarHBondContact O-CB 3.47Å; K79-D82 PolarHBondContact O-N 2.92Å; K79-V110 WeakPolarHBondContact O-CB 3.4Å; K79-V110 WeakPolarHBondContact O-CG1 3.19Å
80	S	93.8	Very high	96.5	Very high	67 Å²	67	33.6 Å²	33.6	47%	0.469	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-52.3	-36.4	174.6	29.9	0	0	0	0	112.5	D82 T83	S80-D82 PolarHBondContact O-N 2.84Å; S80-T83 VanDerWaalsContact O-CB 3.31Å; S80-T83 WeakPolarHBondContact O-CB 3.43Å; S80-T83 PolarHBondContact O-N 2.02Å; S80-T83 VanDerWaalsContact O-N 3.15Å; S80-T83 PolarHBondContact O-OG1 2.94Å
81	E	93.8	Very high	96	Very high	121 Å²	121	34.2 Å²	34.2	57%	0.565	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-69.2	-13.4	179.1	-50.3	76.4	-124.6	0	0	113.5	K79 T83	K79-E81 WeakPolarHBondContact CB-OE2 3.41Å; K79-E81 WeakPolarHBondContact CD-OE2 3.46Å; K79-E81 PolarHBondContact O-N 2.94Å; K79-E81 VanDerWaalsContact O-N 3.16Å; E81-T83 VanDerWaalsContact C-N 3.26Å
82	D	95.9	Very high	94.9	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-84	-2.2	175.3	-60.1	-49.9	0	0	0	112.8	R30 R59 F60 L78 K79 S80 A84 Y86	R30-D82 IonicContact CZ-OD1 4Å; R30-D82 IonicContact NH1-OD1 2.89Å; R30-D82 PolarHBondContact NH1-OD1 2.88Å; R59-D82 IonicContact CZ-OD1 3.84Å; R59-D82 IonicContact CZ-OD2 3.45Å; R59-D82 IonicContact NH1-OD1 3.78Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 2.8Å; R59-D82 IonicContact NH2-OD1 2.95Å; R59-D82 PolarHBondContact NH2-OD1 2.79Å; R59-D82 IonicContact NH2-OD2 3.32Å; R59-D82 PolarHBondContact NH2-OD2 3.26Å; F60-D82 HydrophobicContact CZ-CB 4.23Å; L78-D82 HydrophobicContact CD2-CB 3.75Å; K79-D82 PolarHBondContact N-OD2 3.48Å; K79-D82 WeakPolarHBondContact O-CB 3.47Å; K79-D82 PolarHBondContact O-N 2.92Å; S80-D82 PolarHBondContact O-N 2.84Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-A84 VanDerWaalsContact O-N 3.17Å; D82-Y86 VanDerWaalsContact O-CE2 3.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.46Å; D82-Y86 PolarHBondContact O-OH 3.11Å
83	T	96.7	Very high	93.2	Very high	31 Å²	31	45 Å²	45	19%	0.19	22%	0.223	C	C	.	.			trans	-63.2	112.7	172.5	-63.8	0	0	0	0	110.1	P33 S80 E81 V108 T109 V110	P33-T83 WeakPolarHBondContact CD-O 3.19Å; S80-T83 VanDerWaalsContact O-CB 3.31Å; S80-T83 WeakPolarHBondContact O-CB 3.43Å; S80-T83 PolarHBondContact O-N 2.02Å; S80-T83 VanDerWaalsContact O-N 3.15Å; S80-T83 PolarHBondContact O-OG1 2.94Å; E81-T83 VanDerWaalsContact C-N 3.26Å; T83-V108 WeakPolarHBondContact CA-O 3.14Å; T83-T109 HydrophobicContact CG2-CG2 4.46Å; T83-V110 PolarHBondContact OG1-N 3.27Å; T83-V110 PolarHBondContact OG1-O 2.79Å
84	A	97.2	Very high	91	Very high	2 Å²	2	55.2 Å²	55.2	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	167.6	-175.6	0	0	0	0	0	111.1	R30 Q31 D82 Y86 V108	R30-A84 HydrophobicContact CB-CB 3.85Å; R30-A84 HydrophobicContact CG-CB 4.17Å; Q31-A84 WeakPolarHBondContact O-CA 3.48Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.41Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-A84 VanDerWaalsContact O-N 3.17Å; A84-Y86 HydrophobicContact CB-CD2 4.28Å; A84-Y86 HydrophobicContact CB-CE2 3.76Å; A84-Y86 WeakPolarHBondContact O-CD2 3.37Å; A84-V108 PolarHBondContact N-O 3.01Å; A84-V108 VanDerWaalsContact N-O 3.14Å; A84-V108 PolarHBondContact O-N 2.88Å
85	M	97.8	Very high	88.8	Confident	58 Å²	58	56.2 Å²	56.2	29%	0.286	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.2	165.3	-167	66.7	65.3	0	0	109.2	R30 Q31 Y87 L107	R30-M85 CarbonylContact C-O 3.59Å; R30-M85 WeakPolarHBondContact CA-O 3.13Å; Q31-M85 HydrophobicContact CB-CB 4.41Å; Q31-M85 PolarHBondContact N-O 2.94Å; Q31-M85 PolarHBondContact O-N 3.29Å; M85-Y87 HydrophobicContact CB-CE2 3.77Å; M85-Y87 HydrophobicContact CG-CD2 4.41Å; M85-Y87 HydrophobicContact CG-CE1 3.98Å; M85-Y87 HydrophobicContact CG-CE2 3.55Å; M85-Y87 WeakPolarHBondContact CG-OH 3.02Å; M85-Y87 WeakPolarHBondContact O-CD2 3.31Å; M85-Y87 WeakPolarHBondContact O-CE2 3.02Å; M85-L107 HydrophobicContact CE-CB 3.75Å; M85-L107 HydrophobicContact CE-CD1 4.17Å; M85-L107 HydrophobicContact CE-CG 4.46Å; M85-L107 HydrophobicContact SD-CB 3.97Å; M85-L107 PolarHBondContact SD-N 2.99Å
86	Y	97.8	Very high	86.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.4	-177.5	-74.1	-101.7	0	0	0	111	L12 R30 V40 F60 L73 M75 D82 A84 G105 T106 V108	L12-Y86 HydrophobicContact CD1-CD1 4.09Å; L12-Y86 HydrophobicContact CD1-CD2 4.43Å; L12-Y86 HydrophobicContact CD1-CG 3.8Å; R30-Y86 HydrophobicContact CB-CD1 3.86Å; R30-Y86 HydrophobicContact CB-CD2 4.42Å; R30-Y86 HydrophobicContact CB-CE1 3.8Å; R30-Y86 HydrophobicContact CB-CE2 4.36Å; R30-Y86 HydrophobicContact CB-CG 4.17Å; R30-Y86 WeakPolarHBondContact CD-OH 3.46Å; R30-Y86 HydrophobicContact CG-CE1 4.42Å; R30-Y86 PolarHBondContact NH1-OH 2.95Å; V40-Y86 HydrophobicContact CG1-CE1 4.41Å; V40-Y86 HydrophobicContact CG2-CD1 4.35Å; V40-Y86 HydrophobicContact CG2-CE1 4.05Å; F60-Y86 HydrophobicContact CE2-CE1 4.38Å; L73-Y86 HydrophobicContact CD2-CD1 4.21Å; L73-Y86 HydrophobicContact CD2-CE1 4.39Å; M75-Y86 HydrophobicContact SD-CD1 4.45Å; M75-Y86 HydrophobicContact SD-CE1 4.02Å; D82-Y86 VanDerWaalsContact O-CE2 3.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.46Å; D82-Y86 PolarHBondContact O-OH 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.28Å; A84-Y86 HydrophobicContact CB-CE2 3.76Å; A84-Y86 WeakPolarHBondContact O-CD2 3.37Å; Y86-G105 CarbonylContact O-C 3.5Å; Y86-G105 WeakPolarHBondContact O-CA 3.34Å; Y86-T106 PolarHBondContact N-O 3.25Å; Y86-T106 PolarHBondContact O-N 3.13Å; Y86-V108 HydrophobicContact CD2-CB 3.82Å; Y86-V108 HydrophobicContact CD2-CG2 3.57Å; Y86-V108 HydrophobicContact CE2-CB 3.76Å; Y86-V108 HydrophobicContact CE2-CG1 4.43Å; Y86-V108 HydrophobicContact CE2-CG2 3.95Å; Y86-V108 HydrophobicContact CG-CG2 4.36Å
87	Y	97.4	Very high	84.7	Confident	45 Å²	45	65.5 Å²	65.5	18%	0.176	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.5	-179.3	-54.2	-92.3	0	0	0	110	W28 V29 Q31 M85 W102 G103	W28-Y87 WeakPolarHBondContact CA-O 3.35Å; W28-Y87 VanDerWaalsContact CE3-C 3.48Å; V29-Y87 PolarHBondContact N-O 2.79Å; V29-Y87 PolarHBondContact O-N 2.89Å; Q31-Y87 HydrophobicContact CB-CE2 3.81Å; M85-Y87 HydrophobicContact CB-CE2 3.77Å; M85-Y87 HydrophobicContact CG-CD2 4.41Å; M85-Y87 HydrophobicContact CG-CE1 3.98Å; M85-Y87 HydrophobicContact CG-CE2 3.55Å; M85-Y87 WeakPolarHBondContact CG-OH 3.02Å; M85-Y87 WeakPolarHBondContact O-CD2 3.31Å; M85-Y87 WeakPolarHBondContact O-CE2 3.02Å; Y87-W102 HydrophobicContact CD2-CZ3 4.47Å; Y87-W102 HydrophobicContact CG-CE3 4.1Å; Y87-W102 HydrophobicContact CG-CZ3 4.32Å; Y87-G103 WeakPolarHBondContact CD1-O 3.45Å
88	C	96.2	Very high	83.1	Confident	12 Å²	12	63.3 Å²	63.3	8%	0.081	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	144.7	161.3	55.1	0	0	0	0	109.4	C14 S27 W28 L71 W102 G103	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.27Å; C14-C88 WeakPolarHBondContact SG-CB 3.3Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.34Å; S27-C88 CarbonylContact O-C 3.48Å; S27-C88 WeakPolarHBondContact O-CA 3.31Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.32Å; W28-C88 HydrophobicContact CH2-CB 4.23Å; W28-C88 HydrophobicContact CZ2-CB 4.33Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å; L71-C88 HydrophobicContact CD2-CB 4.05Å; C88-W102 CarbonylContact O-C 3.49Å; C88-W102 WeakPolarHBondContact O-CA 3.45Å; C88-G103 PolarHBondContact O-N 2.86Å
89	A	95.1	Very high	81.9	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.2	178.4	0	0	0	0	0	111.2	M26 S27 F99 Y101 W102	M26-A89 WeakPolarHBondContact CA-O 3.34Å; S27-A89 PolarHBondContact N-O 2.79Å; S27-A89 PolarHBondContact O-N 2.8Å; A89-F99 HydrophobicContact CB-CB 4.17Å; A89-F99 HydrophobicContact CB-CD1 3.4Å; A89-F99 VanDerWaalsContact CB-CD1 3.4Å; A89-F99 HydrophobicContact CB-CD2 4.33Å; A89-F99 HydrophobicContact CB-CE1 3.65Å; A89-F99 HydrophobicContact CB-CE2 4.49Å; A89-F99 HydrophobicContact CB-CG 3.72Å; A89-F99 HydrophobicContact CB-CZ 4.1Å; A89-Y101 CarbonylContact C-O 3.48Å; A89-Y101 VanDerWaalsContact CA-O 3.23Å; A89-Y101 WeakPolarHBondContact CA-O 3.42Å; A89-W102 HydrophobicContact CB-CD2 3.97Å; A89-W102 HydrophobicContact CB-CE3 4.16Å; A89-W102 HydrophobicContact CB-CG 4.35Å
90	R	92.9	Very high	81	Confident	31 Å²	31	61.1 Å²	61.1	12%	0.117	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.8	173.4	-170.3	-168.1	82.1	179.2	4	109.5	F19 Y24 M26 F99 A100 Y101	F19-R90 HydrophobicContact CE2-CG 3.98Å; F19-R90 HydrophobicContact CZ-CB 4.34Å; F19-R90 HydrophobicContact CZ-CG 4.11Å; Y24-R90 HydrophobicContact CD1-CG 4.16Å; Y24-R90 HydrophobicContact CG-CG 4Å; M26-R90 HydrophobicContact CE-CB 4.41Å; M26-R90 HydrophobicContact SD-CB 3.95Å; M26-R90 HydrophobicContact SD-CG 3.9Å; R90-F99 WeakPolarHBondContact O-CA 3.45Å; R90-A100 PolarHBondContact O-N 3.31Å; R90-Y101 PolarHBondContact N-O 2.92Å; R90-Y101 VanDerWaalsContact NH1-CE2 3.34Å; R90-Y101 VanDerWaalsContact NH2-CE2 3.34Å
91	D	87.3	Confident	80.6	Confident	29 Å²	29	64.7 Å²	64.7	16%	0.155	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	146.4	176.9	-55.1	-18.9	0	0	0	110.1	G25 M26 S27 F99	G25-D91 VanDerWaalsContact C-OD2 3.23Å; G25-D91 WeakPolarHBondContact CA-OD2 3.43Å; G25-D91 PolarHBondContact O-N 2.99Å; M26-D91 PolarHBondContact N-OD2 2.99Å; S27-D91 PolarHBondContact OG-OD1 3.35Å; S27-D91 PolarHBondContact OG-OD2 2.97Å; D91-F99 WeakPolarHBondContact OD1-CE1 3.45Å
92	R	75.1	Confident	80.5	Confident	138 Å²	138	64 Å²	64	52%	0.521	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-78	147.7	163.1	-71.5	176.2	-177.1	179.9	0.4	108.4	S96 G98 F99 A100	R92-S96 VanDerWaalsContact CB-OG 3.25Å; R92-S96 WeakPolarHBondContact CB-OG 3.33Å; R92-G98 WeakPolarHBondContact CB-O 3.38Å; R92-G98 VanDerWaalsContact CG-O 3.27Å; R92-G98 WeakPolarHBondContact CG-O 3.5Å; R92-G98 PolarHBondContact N-O 2.82Å; R92-F99 PolarHBondContact NE-O 2.73Å; R92-A100 HydrophobicContact CG-CB 3.81Å
93	F	61.1	Low	80.4	Confident	133 Å²	133	65.1 Å²	65.1	58%	0.583	33%	0.332	S	S	*	.	S	Bend	trans	-42.2	153.4	-173.5	-69.3	-84.7	0	0	0	115.3	Y24 G95 S96	Y24-F93 HydrophobicContact CD1-CE1 4.47Å; Y24-F93 HydrophobicContact CD1-CZ 4.39Å; Y24-F93 HydrophobicContact CE1-CD1 4.44Å; Y24-F93 HydrophobicContact CE1-CD2 4.27Å; Y24-F93 AromaticContact CE1-CE1 3.82Å; Y24-F93 HydrophobicContact CE1-CE1 3.82Å; Y24-F93 AromaticContact CE1-CE2 3.62Å; Y24-F93 HydrophobicContact CE1-CE2 3.62Å; Y24-F93 AromaticContact CE1-CZ 3.37Å; Y24-F93 HydrophobicContact CE1-CZ 3.37Å; Y24-F93 AromaticContact CZ-CZ 3.64Å; Y24-F93 WeakPolarHBondContact OH-CZ 3.41Å; F93-G95 PolarHBondContact O-N 3.17Å; F93-S96 PolarHBondContact O-N 2.84Å; F93-S96 VanDerWaalsContact O-N 3.16Å
94	Y	52.1	Low	80.2	Confident	214 Å²	214	72.6 Å²	72.6	84%	0.839	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-21.4	107.6	178.3	-73.9	-85.5	0	0	0	114.1
95	G	51.9	Low	80.1	Confident	84 Å²	84	74 Å²	74	87%	0.866	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	105	-9.8	173.8	0	0	0	0	0	116.2	F93	F93-G95 PolarHBondContact O-N 3.17Å
96	S	53	Low	80	Confident	56 Å²	56	73.3 Å²	73.3	39%	0.392	38%	0.379	S	S	.	.			trans	-92.5	121.6	176.3	159.4	0	0	0	0	112.2	R92 F93 G98	R92-S96 VanDerWaalsContact CB-OG 3.25Å; R92-S96 WeakPolarHBondContact CB-OG 3.33Å; F93-S96 PolarHBondContact O-N 2.84Å; F93-S96 VanDerWaalsContact O-N 3.16Å; S96-G98 PolarHBondContact O-N 3.19Å; S96-G98 PolarHBondContact OG-N 2.87Å
97	L	56.2	Low	80	Confident	177 Å²	177	76.9 Å²	76.9	93%	0.927	40%	0.398	S	S	*	.			trans	-70.6	12.7	176.1	-64.4	171.3	0	0	0	114.9
98	G	61.2	Low	79.9	Confident	23 Å²	23	74.7 Å²	74.7	24%	0.237	39%	0.389	C	S	.	.			trans	-116	148.8	-171.7	0	0	0	0	0	114	R92 S96	R92-G98 WeakPolarHBondContact CB-O 3.38Å; R92-G98 VanDerWaalsContact CG-O 3.27Å; R92-G98 WeakPolarHBondContact CG-O 3.5Å; R92-G98 PolarHBondContact N-O 2.82Å; S96-G98 PolarHBondContact O-N 3.19Å; S96-G98 PolarHBondContact OG-N 2.87Å
99	F	71.2	Confident	79.9	Confident	31 Å²	31	76.3 Å²	76.3	14%	0.136	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	142.5	172.8	-61.7	-67.1	0	0	0	111.9	V29 W39 A89 R90 D91 R92 W102	V29-F99 HydrophobicContact CG2-CE1 4.39Å; V29-F99 HydrophobicContact CG2-CE2 3.62Å; V29-F99 HydrophobicContact CG2-CZ 3.37Å; W39-F99 HydrophobicContact CD2-CZ 4.03Å; W39-F99 AromaticContact CE2-CZ 3.92Å; W39-F99 AromaticContact CE3-CE2 3.8Å; W39-F99 HydrophobicContact CE3-CE2 3.8Å; W39-F99 AromaticContact CE3-CZ 3.52Å; W39-F99 HydrophobicContact CE3-CZ 3.52Å; W39-F99 HydrophobicContact CH2-CD1 4.24Å; W39-F99 AromaticContact CH2-CE1 3.2Å; W39-F99 HydrophobicContact CH2-CE1 3.2Å; W39-F99 AromaticContact CH2-CE2 3.59Å; W39-F99 HydrophobicContact CH2-CE2 3.59Å; W39-F99 AromaticContact CH2-CZ 2.87Å; W39-F99 HydrophobicContact CH2-CZ 2.87Å; W39-F99 AromaticContact CZ2-CE1 3.59Å; W39-F99 HydrophobicContact CZ2-CE1 3.59Å; W39-F99 HydrophobicContact CZ2-CE2 4.45Å; W39-F99 AromaticContact CZ2-CZ 3.39Å; W39-F99 HydrophobicContact CZ2-CZ 3.39Å; W39-F99 HydrophobicContact CZ3-CD2 4.26Å; W39-F99 AromaticContact CZ3-CE1 3.78Å; W39-F99 HydrophobicContact CZ3-CE1 3.78Å; W39-F99 AromaticContact CZ3-CE2 3.18Å; W39-F99 HydrophobicContact CZ3-CE2 3.18Å; W39-F99 AromaticContact CZ3-CZ 2.93Å; W39-F99 HydrophobicContact CZ3-CZ 2.93Å; A89-F99 HydrophobicContact CB-CB 4.17Å; A89-F99 HydrophobicContact CB-CD1 3.4Å; A89-F99 VanDerWaalsContact CB-CD1 3.4Å; A89-F99 HydrophobicContact CB-CD2 4.33Å; A89-F99 HydrophobicContact CB-CE1 3.65Å; A89-F99 HydrophobicContact CB-CE2 4.49Å; A89-F99 HydrophobicContact CB-CG 3.72Å; A89-F99 HydrophobicContact CB-CZ 4.1Å; R90-F99 WeakPolarHBondContact O-CA 3.45Å; D91-F99 WeakPolarHBondContact OD1-CE1 3.45Å; R92-F99 PolarHBondContact NE-O 2.73Å; F99-W102 HydrophobicContact CB-CZ2 4.23Å; F99-W102 AromaticContact CD2-CE2 3.78Å; F99-W102 AromaticContact CD2-CH2 3.97Å; F99-W102 HydrophobicContact CD2-CH2 3.97Å; F99-W102 AromaticContact CD2-CZ2 3.24Å; F99-W102 HydrophobicContact CD2-CZ2 3.24Å; F99-W102 AromaticContact CE2-CH2 3.95Å; F99-W102 HydrophobicContact CE2-CH2 3.95Å; F99-W102 AromaticContact CE2-CZ2 3.71Å; F99-W102 HydrophobicContact CE2-CZ2 3.71Å; F99-W102 AromaticContact CG-CZ2 3.99Å; F99-W102 HydrophobicContact CG-CZ2 3.99Å
100	A	77	Confident	79.9	Confident	28 Å²	28	76.5 Å²	76.5	23%	0.231	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-37.9	177	0	0	0	0	0	113.1	R90 R92	R90-A100 PolarHBondContact O-N 3.31Å; R92-A100 HydrophobicContact CG-CB 3.81Å
101	Y	85.8	Confident	79.6	Confident	141 Å²	141	80.4 Å²	80.4	55%	0.553	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.3	-177.1	-66.8	-83.5	0	0	0	109.8	A89 R90	A89-Y101 CarbonylContact C-O 3.48Å; A89-Y101 VanDerWaalsContact CA-O 3.23Å; A89-Y101 WeakPolarHBondContact CA-O 3.42Å; R90-Y101 PolarHBondContact N-O 2.92Å; R90-Y101 VanDerWaalsContact NH1-CE2 3.34Å; R90-Y101 VanDerWaalsContact NH2-CE2 3.34Å
102	W	92.7	Very high	79.2	Confident	108 Å²	108	83 Å²	83	41%	0.409	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.1	178.1	-69.1	75.2	0	0	0	109.6	V29 Y87 C88 A89 F99	V29-W102 HydrophobicContact CB-CH2 3.87Å; V29-W102 HydrophobicContact CB-CZ3 3.63Å; V29-W102 HydrophobicContact CG1-CH2 3.75Å; V29-W102 HydrophobicContact CG1-CZ3 3.85Å; V29-W102 HydrophobicContact CG2-CH2 3.85Å; V29-W102 HydrophobicContact CG2-CZ3 3.95Å; Y87-W102 HydrophobicContact CD2-CZ3 4.47Å; Y87-W102 HydrophobicContact CG-CE3 4.1Å; Y87-W102 HydrophobicContact CG-CZ3 4.32Å; C88-W102 CarbonylContact O-C 3.49Å; C88-W102 WeakPolarHBondContact O-CA 3.45Å; A89-W102 HydrophobicContact CB-CD2 3.97Å; A89-W102 HydrophobicContact CB-CE3 4.16Å; A89-W102 HydrophobicContact CB-CG 4.35Å; F99-W102 HydrophobicContact CB-CZ2 4.23Å; F99-W102 AromaticContact CD2-CE2 3.78Å; F99-W102 AromaticContact CD2-CH2 3.97Å; F99-W102 HydrophobicContact CD2-CH2 3.97Å; F99-W102 AromaticContact CD2-CZ2 3.24Å; F99-W102 HydrophobicContact CD2-CZ2 3.24Å; F99-W102 AromaticContact CE2-CH2 3.95Å; F99-W102 HydrophobicContact CE2-CH2 3.95Å; F99-W102 AromaticContact CE2-CZ2 3.71Å; F99-W102 HydrophobicContact CE2-CZ2 3.71Å; F99-W102 AromaticContact CG-CZ2 3.99Å; F99-W102 HydrophobicContact CG-CZ2 3.99Å
103	G	93.4	Very high	79.5	Confident	25 Å²	25	80.1 Å²	80.1	26%	0.258	44%	0.442	S	S	.	.			trans	-71.4	169.3	167.1	0	0	0	0	0	111.8	Y87 C88 G105	Y87-G103 WeakPolarHBondContact CD1-O 3.45Å; C88-G103 PolarHBondContact O-N 2.86Å; G103-G105 PolarHBondContact O-N 3.01Å
104	Q	92.9	Very high	80.5	Confident	189 Å²	189	77.2 Å²	77.2	88%	0.883	43%	0.434	S	S	*	.			trans	-66.9	-19.9	179.7	-67	-64	-38.4	0	0	113.7
105	G	94.2	Very high	82.2	Confident	32 Å²	32	69.1 Å²	69.1	33%	0.33	41%	0.41	S	S	.	.			trans	90.8	157.8	-178.1	0	0	0	0	0	113.3	Y86 G103	Y86-G105 CarbonylContact O-C 3.5Å; Y86-G105 WeakPolarHBondContact O-CA 3.34Å; G103-G105 PolarHBondContact O-N 3.01Å
106	T	96.4	Very high	84.1	Confident	42 Å²	42	68.2 Å²	68.2	26%	0.258	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133	172.5	-173.1	0	0	0	0	110.6	L12 Y86	L12-T106 HydrophobicContact CD1-CG2 4.04Å; L12-T106 HydrophobicContact CD2-CG2 3.95Å; Y86-T106 PolarHBondContact N-O 3.25Å; Y86-T106 PolarHBondContact O-N 3.13Å
107	L	96.7	Very high	86.1	Confident	75 Å²	75	69 Å²	69	39%	0.393	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.7	178.5	-178.7	62	0	0	0	109.2	G1 D2 M85	G1-L107 CarbonylContact C-O 3.59Å; G1-L107 WeakPolarHBondContact CA-O 3.48Å; D2-L107 PolarHBondContact N-O 3.43Å; M85-L107 HydrophobicContact CE-CB 3.75Å; M85-L107 HydrophobicContact CE-CD1 4.17Å; M85-L107 HydrophobicContact CE-CG 4.46Å; M85-L107 HydrophobicContact SD-CB 3.97Å; M85-L107 PolarHBondContact SD-N 2.99Å
108	V	96.7	Very high	88.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.1	169.5	178.1	0	0	0	0	107.4	L10 L12 M75 T83 A84 Y86 V110	L10-V108 HydrophobicContact CD2-CG1 3.92Å; L10-V108 HydrophobicContact CD2-CG2 3.96Å; L12-V108 HydrophobicContact CD1-CG2 4.11Å; L12-V108 HydrophobicContact CD2-CG2 3.94Å; M75-V108 HydrophobicContact CE-CG1 4.14Å; M75-V108 HydrophobicContact CE-CG2 4.12Å; T83-V108 WeakPolarHBondContact CA-O 3.14Å; A84-V108 PolarHBondContact N-O 3.01Å; A84-V108 VanDerWaalsContact N-O 3.14Å; A84-V108 PolarHBondContact O-N 2.88Å; Y86-V108 HydrophobicContact CD2-CB 3.82Å; Y86-V108 HydrophobicContact CD2-CG2 3.57Å; Y86-V108 HydrophobicContact CE2-CB 3.76Å; Y86-V108 HydrophobicContact CE2-CG1 4.43Å; Y86-V108 HydrophobicContact CE2-CG2 3.95Å; Y86-V108 HydrophobicContact CG-CG2 4.36Å; V108-V110 HydrophobicContact CG1-CG2 4.35Å
109	T	95.9	Very high	90.3	Very high	45 Å²	45	64.2 Å²	64.2	28%	0.276	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.8	178.2	-56.5	0	0	0	0	109.4	D2 L3 V4 T83	D2-T109 PolarHBondContact O-N 3.01Å; L3-T109 WeakPolarHBondContact CA-O 3.38Å; L3-T109 HydrophobicContact CD1-CG2 3.75Å; V4-T109 PolarHBondContact N-O 2.97Å; T83-T109 HydrophobicContact CG2-CG2 4.46Å
110	V	94.3	Very high	91.9	Very high	6 Å²	6	67 Å²	67	4%	0.036	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	107.1	176.7	-170.5	0	0	0	0	109.1	V4 P6 L78 K79 T83 V108	V4-V110 VanDerWaalsContact O-CA 3.27Å; V4-V110 WeakPolarHBondContact O-CA 3.25Å; P6-V110 HydrophobicContact CB-CG1 4.43Å; P6-V110 HydrophobicContact CG-CG1 4.13Å; L78-V110 HydrophobicContact CB-CG1 4.25Å; L78-V110 HydrophobicContact CB-CG2 4.06Å; L78-V110 HydrophobicContact CD1-CG2 4.37Å; L78-V110 HydrophobicContact CD2-CG2 4.23Å; L78-V110 HydrophobicContact CG-CG2 4.46Å; K79-V110 WeakPolarHBondContact O-CB 3.4Å; K79-V110 WeakPolarHBondContact O-CG1 3.19Å; T83-V110 PolarHBondContact OG1-N 3.27Å; T83-V110 PolarHBondContact OG1-O 2.79Å; V108-V110 HydrophobicContact CG1-CG2 4.35Å
111	S	87.4	Confident	93.3	Very high	113 Å²	113	70.5 Å²	70.5	79%	0.79	38%	0.381	S	S	*	.			trans	-148.7	0	-178.7	67.1	0	0	0	0	112.3	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 3.07Å; V4-S111 PolarHBondContact O-N 3.44Å

Retrieved 111 of 111 residues in 25.7 ms (Link to these results)

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