X5J4P6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4P6, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 98 aa.

						>X5J4P6_MOUSE|X5J4P6|Ighv4-2
SCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCARGGTAGGFDYWGQGTTLTVSS
					

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(Predicted Aligned Error values between residue pairs)

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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	S	97.4	Very high	95.7	Very high	109 Å²	109	69.3 Å²	69.3	76%	0.762	44%	0.444	S	S	*	.				0	170.9	0	49.6	0	0	0	0	108.9	L59	S1-L59 CarbonylContact C-O 3.59Å; S1-L59 VanDerWaalsContact CA-O 3.22Å; S1-L59 WeakPolarHBondContact CA-O 3.47Å
2	C	98.1	Very high	95.7	Very high	21 Å²	21	69.8 Å²	69.8	14%	0.142	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	115.3	176.4	165.3	0	0	0	0	109.1	W16 T58 L59 C76	C2-W16 HydrophobicContact CB-CH2 3.74Å; C2-W16 HydrophobicContact CB-CZ2 4Å; C2-T58 CarbonylContact O-C 3.59Å; C2-T58 WeakPolarHBondContact O-CA 3.48Å; C2-L59 HydrophobicContact CB-CB 4.44Å; C2-L59 PolarHBondContact N-O 3.09Å; C2-L59 PolarHBondContact O-N 3.1Å; C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.17Å; C2-C76 WeakPolarHBondContact SG-CB 3.5Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 3.03Å
3	A	97.9	Very high	95.8	Very high	78 Å²	78	71.2 Å²	71.2	65%	0.645	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.9	174.4	0	0	0	0	0	109.5
4	A	96.4	Very high	95.9	Very high	17 Å²	17	66.4 Å²	66.4	14%	0.14	40%	0.395	C	S	.	.			trans	-93.2	146.4	178.3	0	0	0	0	0	111.2	F7 F9 N57	A4-F7 HydrophobicContact CB-CE1 4.01Å; A4-F7 HydrophobicContact CB-CE2 4.35Å; A4-F7 HydrophobicContact CB-CZ 3.65Å; A4-F9 HydrophobicContact CB-CB 4.25Å; A4-F9 HydrophobicContact CB-CD2 3.46Å; A4-F9 VanDerWaalsContact CB-CD2 3.46Å; A4-F9 HydrophobicContact CB-CE2 4.15Å; A4-F9 HydrophobicContact CB-CG 4.19Å; A4-N57 PolarHBondContact N-O 3.23Å
5	S	95.1	Very high	96	Very high	104 Å²	104	62 Å²	62	73%	0.727	37%	0.369	S	S	*	.			trans	-147.5	159.9	173.4	60.8	0	0	0	0	109.9	F7	S5-F7 WeakPolarHBondContact O-CD1 3.49Å; S5-F7 PolarHBondContact O-N 3.32Å
6	G	93.6	Very high	96.2	Very high	82 Å²	82	58.7 Å²	58.7	85%	0.845	35%	0.348	S	S	*	.	S	Bend	trans	83.4	2	178.2	0	0	0	0	0	115.7
7	F	92.4	Very high	96.3	Very high	41 Å²	41	55.4 Å²	55.4	18%	0.18	33%	0.328	C	S	.	.	S	Bend	trans	-154.8	165.2	173	62.2	-85	0	0	0	111.4	A4 S5 F9 Y12 M14 R78	A4-F7 HydrophobicContact CB-CE1 4.01Å; A4-F7 HydrophobicContact CB-CE2 4.35Å; A4-F7 HydrophobicContact CB-CZ 3.65Å; S5-F7 WeakPolarHBondContact O-CD1 3.49Å; S5-F7 PolarHBondContact O-N 3.32Å; F7-F9 HydrophobicContact CE2-CB 4.3Å; F7-F9 HydrophobicContact CE2-CD2 4.33Å; F7-F9 PolarHBondContact O-N 3.32Å; F7-Y12 AromaticContact CD2-CD2 3.71Å; F7-Y12 HydrophobicContact CD2-CD2 3.71Å; F7-Y12 HydrophobicContact CD2-CE2 4.07Å; F7-Y12 HydrophobicContact CE2-CD2 4.21Å; F7-M14 HydrophobicContact CE2-SD 4.14Å; F7-M14 HydrophobicContact CZ-CE 4.33Å; F7-M14 HydrophobicContact CZ-SD 4.23Å; F7-R78 VanDerWaalsContact CE2-CD 3.47Å; F7-R78 HydrophobicContact CE2-CG 4.09Å; F7-R78 HydrophobicContact CZ-CB 4.37Å; F7-R78 HydrophobicContact CZ-CG 4.31Å
8	D	94.9	Very high	96.4	Very high	78 Å²	78	53.6 Å²	53.6	42%	0.417	32%	0.315	S	S	.	.			trans	-75.2	89.2	173.4	-176.6	-4.6	0	0	0	110.4	S10 R11 Y12	D8-S10 PolarHBondContact O-N 2.95Å; D8-S10 VanDerWaalsContact O-N 3.1Å; D8-S10 WeakPolarHBondContact OD1-CB 3.3Å; D8-S10 PolarHBondContact OD1-N 3.2Å; D8-S10 PolarHBondContact OD1-OG 3.11Å; D8-R11 HydrophobicContact CB-CG 4.33Å; D8-R11 PolarHBondContact O-N 2.92Å; D8-R11 VanDerWaalsContact O-N 3.08Å; D8-R11 WeakPolarHBondContact OD2-CD 3.48Å; D8-R11 VanDerWaalsContact OD2-CG 3.23Å; D8-R11 WeakPolarHBondContact OD2-CG 3.34Å; D8-Y12 WeakPolarHBondContact O-CD2 3.19Å; D8-Y12 WeakPolarHBondContact O-CE2 3.21Å
9	F	96.1	Very high	96.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-49.8	-36.4	-178.9	176.5	-99.6	0	0	0	112.9	A4 F7 R11 Y12 M14 R52 N54 N57 L59	A4-F9 HydrophobicContact CB-CB 4.25Å; A4-F9 HydrophobicContact CB-CD2 3.46Å; A4-F9 VanDerWaalsContact CB-CD2 3.46Å; A4-F9 HydrophobicContact CB-CE2 4.15Å; A4-F9 HydrophobicContact CB-CG 4.19Å; F7-F9 HydrophobicContact CE2-CB 4.3Å; F7-F9 HydrophobicContact CE2-CD2 4.33Å; F7-F9 PolarHBondContact O-N 3.32Å; F9-R11 PolarHBondContact O-N 3.02Å; F9-R11 VanDerWaalsContact O-N 3.12Å; F9-Y12 PolarHBondContact O-N 2.78Å; F9-M14 HydrophobicContact CD2-CE 4.31Å; F9-M14 HydrophobicContact CD2-CG 4.03Å; F9-M14 HydrophobicContact CD2-SD 4Å; F9-M14 HydrophobicContact CE2-CB 4.48Å; F9-M14 HydrophobicContact CE2-CE 4Å; F9-M14 HydrophobicContact CE2-CG 3.53Å; F9-M14 HydrophobicContact CE2-SD 3.96Å; F9-M14 HydrophobicContact CZ-CG 4.08Å; F9-R52 VanDerWaalsContact CD1-NH2 3.31Å; F9-R52 HydrophobicContact CE1-CB 4.18Å; F9-R52 VanDerWaalsContact CE1-NH2 3.26Å; F9-R52 HydrophobicContact CZ-CB 4.12Å; F9-R52 PolarHBondContact O-NH2 3.21Å; F9-N54 WeakPolarHBondContact CD1-OD1 3.34Å; F9-N54 VanDerWaalsContact CE1-OD1 3.32Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.27Å; F9-N57 HydrophobicContact CB-CB 3.93Å; F9-N57 WeakPolarHBondContact CB-OD1 3.35Å; F9-N57 HydrophobicContact CD1-CB 4.39Å; F9-N57 HydrophobicContact CG-CB 4.17Å; F9-L59 HydrophobicContact CE2-CB 4.25Å; F9-L59 HydrophobicContact CZ-CB 4.16Å
10	S	96	Very high	96.5	Very high	45 Å²	45	52.9 Å²	52.9	32%	0.315	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-65.3	-15.9	-176.1	77.5	0	0	0	0	113.9	D8 P33	D8-S10 PolarHBondContact O-N 2.95Å; D8-S10 VanDerWaalsContact O-N 3.1Å; D8-S10 WeakPolarHBondContact OD1-CB 3.3Å; D8-S10 PolarHBondContact OD1-N 3.2Å; D8-S10 PolarHBondContact OD1-OG 3.11Å; S10-P33 VanDerWaalsContact O-CB 3.26Å; S10-P33 WeakPolarHBondContact O-CB 3.42Å
11	R	95	Very high	96.4	Very high	187 Å²	187	55.2 Å²	55.2	71%	0.706	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-97.5	-8	-176.5	-65.9	-171.9	71.6	165.9	4.5	115	D8 F9	D8-R11 HydrophobicContact CB-CG 4.33Å; D8-R11 PolarHBondContact O-N 2.92Å; D8-R11 VanDerWaalsContact O-N 3.08Å; D8-R11 WeakPolarHBondContact OD2-CD 3.48Å; D8-R11 VanDerWaalsContact OD2-CG 3.23Å; D8-R11 WeakPolarHBondContact OD2-CG 3.34Å; F9-R11 PolarHBondContact O-N 3.02Å; F9-R11 VanDerWaalsContact O-N 3.12Å
12	Y	95.6	Very high	96.4	Very high	75 Å²	75	54.2 Å²	54.2	29%	0.294	33%	0.334	S	S	.	.	S	Bend	trans	-115.6	149.4	-172.8	-62	-85.2	0	0	0	112.7	F7 D8 F9 R52 R78	F7-Y12 AromaticContact CD2-CD2 3.71Å; F7-Y12 HydrophobicContact CD2-CD2 3.71Å; F7-Y12 HydrophobicContact CD2-CE2 4.07Å; F7-Y12 HydrophobicContact CE2-CD2 4.21Å; D8-Y12 WeakPolarHBondContact O-CD2 3.19Å; D8-Y12 WeakPolarHBondContact O-CE2 3.21Å; F9-Y12 PolarHBondContact O-N 2.78Å; Y12-R52 PolarHBondContact O-NH1 3.49Å; Y12-R78 HydrophobicContact CD1-CG 4.14Å; Y12-R78 HydrophobicContact CG-CG 3.88Å
13	W	96.6	Very high	96.3	Very high	88 Å²	88	60.2 Å²	60.2	33%	0.333	36%	0.357	S	S	.	.			trans	-66.7	142.1	160.9	-73.3	71.1	0	0	0	109.1	E30 I31 N32 T37 G79	W13-E30 HydrophobicContact CE3-CB 4.24Å; W13-E30 HydrophobicContact CE3-CG 3.48Å; W13-E30 VanDerWaalsContact CE3-CG 3.48Å; W13-E30 HydrophobicContact CZ3-CG 3.63Å; W13-I31 WeakPolarHBondContact CA-O 3.32Å; W13-N32 HydrophobicContact CD2-CB 3.67Å; W13-N32 HydrophobicContact CE3-CB 3.85Å; W13-N32 HydrophobicContact CG-CB 4.45Å; W13-N32 HydrophobicContact CH2-CB 3.62Å; W13-N32 HydrophobicContact CZ2-CB 3.38Å; W13-N32 HydrophobicContact CZ3-CB 3.83Å; W13-T37 HydrophobicContact CH2-CG2 3.94Å; W13-G79 PolarHBondContact O-N 3.14Å
14	M	97.9	Very high	96.2	Very high	5 Å²	5	59 Å²	59	3%	0.025	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.4	-178	-64.1	-59.3	-54.2	0	0	109.2	F7 F9 E30 I31 L59 A77 R78	F7-M14 HydrophobicContact CE2-SD 4.14Å; F7-M14 HydrophobicContact CZ-CE 4.33Å; F7-M14 HydrophobicContact CZ-SD 4.23Å; F9-M14 HydrophobicContact CD2-CE 4.31Å; F9-M14 HydrophobicContact CD2-CG 4.03Å; F9-M14 HydrophobicContact CD2-SD 4Å; F9-M14 HydrophobicContact CE2-CB 4.48Å; F9-M14 HydrophobicContact CE2-CE 4Å; F9-M14 HydrophobicContact CE2-CG 3.53Å; F9-M14 HydrophobicContact CE2-SD 3.96Å; F9-M14 HydrophobicContact CZ-CG 4.08Å; M14-E30 CarbonylContact O-C 3.52Å; M14-E30 WeakPolarHBondContact O-CA 3.46Å; M14-E30 WeakPolarHBondContact O-CB 3.32Å; M14-I31 HydrophobicContact CB-CG2 4.34Å; M14-I31 PolarHBondContact N-O 2.82Å; M14-I31 PolarHBondContact O-N 3.12Å; M14-L59 HydrophobicContact CB-CD1 3.77Å; M14-L59 HydrophobicContact CB-CD2 3.9Å; M14-L59 HydrophobicContact CB-CG 4.35Å; M14-A77 WeakPolarHBondContact CA-O 3.42Å; M14-A77 WeakPolarHBondContact CE-O 3.12Å; M14-R78 HydrophobicContact CE-CB 4.3Å; M14-R78 HydrophobicContact SD-CB 4.02Å; M14-R78 HydrophobicContact SD-CG 3.96Å
15	S	97.8	Very high	96.2	Very high	0 Å²	0	63 Å²	63	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.7	-172.8	-50.4	0	0	0	0	111.9	G29 E30 C76 A77 F85	S15-G29 CarbonylContact C-O 3.53Å; S15-G29 VanDerWaalsContact CA-O 3.26Å; S15-G29 WeakPolarHBondContact CA-O 3.46Å; S15-G29 WeakPolarHBondContact CB-O 3.44Å; S15-E30 VanDerWaalsContact OG-CB 3.29Å; S15-E30 WeakPolarHBondContact OG-CB 3.4Å; S15-C76 CarbonylContact O-C 3.42Å; S15-C76 VanDerWaalsContact O-CA 3.31Å; S15-C76 WeakPolarHBondContact O-CA 3.49Å; S15-A77 PolarHBondContact N-O 2.98Å; S15-A77 PolarHBondContact O-N 3.12Å; S15-F85 WeakPolarHBondContact OG-CE1 3.12Å
16	W	98.3	Very high	96.3	Very high	9 Å²	9	61.2 Å²	61.2	3%	0.034	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.3	164	-75.8	100.7	0	0	0	109.9	C2 I28 G29 L59 Y60 L61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.74Å; C2-W16 HydrophobicContact CB-CZ2 4Å; W16-I28 HydrophobicContact CB-CB 4.09Å; W16-I28 HydrophobicContact CB-CD1 4.07Å; W16-I28 WeakPolarHBondContact O-CB 3.41Å; W16-I28 PolarHBondContact O-N 2.82Å; W16-G29 PolarHBondContact N-O 2.89Å; W16-L59 HydrophobicContact CD2-CD2 4.25Å; W16-L59 HydrophobicContact CG-CD2 4.29Å; W16-L59 HydrophobicContact CZ2-CB 4.48Å; W16-L59 HydrophobicContact CZ2-CD2 4.08Å; W16-L59 HydrophobicContact CZ2-CG 4.18Å; W16-L59 VanDerWaalsContact NE1-CG 3.33Å; W16-Y60 PolarHBondContact NE1-O 3.08Å; W16-Y60 VanDerWaalsContact NE1-O 3.11Å; W16-L61 HydrophobicContact CB-CD1 4.35Å; W16-L61 HydrophobicContact CB-CD2 4.16Å; W16-L61 HydrophobicContact CD2-CB 3.84Å; W16-L61 HydrophobicContact CD2-CD2 3.84Å; W16-L61 HydrophobicContact CD2-CG 4.32Å; W16-L61 HydrophobicContact CE3-CB 4.45Å; W16-L61 HydrophobicContact CE3-CD2 4.03Å; W16-L61 HydrophobicContact CG-CB 4.11Å; W16-L61 HydrophobicContact CG-CD1 4.02Å; W16-L61 HydrophobicContact CG-CD2 3.89Å; W16-L61 HydrophobicContact CG-CG 4.26Å; W16-L61 HydrophobicContact CZ2-CB 3.94Å; W16-Y75 WeakPolarHBondContact CA-O 3.37Å; W16-C76 HydrophobicContact CE3-CB 4.33Å; W16-C76 HydrophobicContact CH2-CB 4.12Å; W16-C76 HydrophobicContact CZ2-CB 4.37Å; W16-C76 HydrophobicContact CZ3-CB 4.1Å
17	V	98.1	Very high	96.4	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.6	177.5	-178.3	0	0	0	0	107.2	L25 E26 Y75 F85 W88	V17-L25 HydrophobicContact CG1-CB 3.89Å; V17-L25 HydrophobicContact CG1-CD2 3.92Å; V17-L25 HydrophobicContact CG1-CG 4.41Å; V17-E26 CarbonylContact C-O 3.4Å; V17-E26 WeakPolarHBondContact CA-O 3.2Å; V17-E26 WeakPolarHBondContact CG1-O 2.98Å; V17-Y75 PolarHBondContact N-O 3.05Å; V17-Y75 PolarHBondContact O-N 3.11Å; V17-F85 HydrophobicContact CG2-CE2 4.12Å; V17-W88 HydrophobicContact CB-CH2 4.14Å; V17-W88 HydrophobicContact CB-CZ3 3.79Å; V17-W88 HydrophobicContact CG1-CH2 4.05Å; V17-W88 HydrophobicContact CG1-CZ3 3.97Å; V17-W88 HydrophobicContact CG2-CH2 3.85Å; V17-W88 HydrophobicContact CG2-CZ3 3.86Å
18	R	97.4	Very high	96.7	Very high	22 Å²	22	58.9 Å²	58.9	8%	0.083	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	157.1	172.8	68.2	178.2	-171.2	175.4	4.4	112.5	E26 I28 D70 A72 L73 Y74	R18-E26 HydrophobicContact CG-CB 4.17Å; R18-E26 IonicContact CZ-OE2 3.75Å; R18-E26 VanDerWaalsContact CZ-OE2 3.23Å; R18-E26 PolarHBondContact N-O 3.17Å; R18-E26 IonicContact NE-OE2 2.82Å; R18-E26 PolarHBondContact NE-OE2 2.91Å; R18-E26 IonicContact NH2-OE1 3.26Å; R18-E26 IonicContact NH2-OE2 2.94Å; R18-E26 PolarHBondContact NH2-OE2 3.44Å; R18-E26 PolarHBondContact O-N 2.89Å; R18-I28 HydrophobicContact CB-CD1 3.93Å; R18-I28 HydrophobicContact CB-CG1 4.44Å; R18-I28 HydrophobicContact CG-CD1 4.06Å; R18-I28 HydrophobicContact CG-CG1 4.08Å; R18-D70 IonicContact NH1-OD1 3.23Å; R18-D70 PolarHBondContact NH1-OD1 2.73Å; R18-A72 HydrophobicContact CB-CB 4Å; R18-A72 HydrophobicContact CG-CB 4.49Å; R18-L73 CarbonylContact C-O 3.49Å; R18-L73 WeakPolarHBondContact CA-O 3.47Å; R18-Y74 HydrophobicContact CB-CD1 3.85Å; R18-Y74 HydrophobicContact CB-CE1 3.82Å; R18-Y74 HydrophobicContact CB-CG 4.27Å; R18-Y74 HydrophobicContact CG-CE1 4.46Å
19	Q	98	Very high	96.8	Very high	67 Å²	67	55.2 Å²	55.2	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	105.7	174	-167.7	176.2	20.3	0	0	109.5	K23 L25 A72 L73 Y75	Q19-K23 VanDerWaalsContact CG-O 3.3Å; Q19-K23 WeakPolarHBondContact CG-O 3.41Å; Q19-K23 PolarHBondContact NE2-O 2.96Å; Q19-K23 VanDerWaalsContact NE2-O 3.09Å; Q19-L25 HydrophobicContact CB-CD2 4.12Å; Q19-L25 HydrophobicContact CG-CD2 4.49Å; Q19-A72 WeakPolarHBondContact O-CA 3.24Å; Q19-A72 WeakPolarHBondContact O-CB 3.2Å; Q19-L73 HydrophobicContact CB-CB 4.43Å; Q19-L73 PolarHBondContact N-O 3.19Å; Q19-L73 PolarHBondContact O-N 3.26Å; Q19-Y75 HydrophobicContact CB-CE2 4.01Å
20	A	96.7	Very high	96.8	Very high	27 Å²	27	57.1 Å²	57.1	22%	0.223	31%	0.305	C	S	.	.			trans	-70.9	152.6	172.9	0	0	0	0	0	110.6	G22 K23 A72	A20-G22 PolarHBondContact O-N 2.66Å; A20-K23 HydrophobicContact CB-CB 4.08Å; A20-K23 HydrophobicContact CB-CG 3.94Å; A20-K23 WeakPolarHBondContact O-CB 3.47Å; A20-K23 PolarHBondContact O-N 2.76Å; A20-A72 HydrophobicContact CB-CB 4.48Å
21	P	96.1	Very high	96.9	Very high	101 Å²	101	55.1 Å²	55.1	66%	0.656	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	126.3	177.4	-26.6	34.7	0	0	0	112.1	K23 T71	P21-K23 PolarHBondContact O-N 2.78Å; P21-T71 WeakPolarHBondContact CD-O 3.42Å; P21-T71 HydrophobicContact CG-CG2 4.47Å
22	G	96.1	Very high	97	Very high	88 Å²	88	46.9 Å²	46.9	91%	0.907	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	12.2	-178.8	0	0	0	0	0	115.2	A20	A20-G22 PolarHBondContact O-N 2.66Å
23	K	96.1	Very high	97.1	Very high	147 Å²	147	44.9 Å²	44.9	64%	0.639	26%	0.257	S	S	*	.			trans	-115.6	163.5	177	-58.7	-63.6	-176.1	178.7	0	111.8	Q19 A20 P21	Q19-K23 VanDerWaalsContact CG-O 3.3Å; Q19-K23 WeakPolarHBondContact CG-O 3.41Å; Q19-K23 PolarHBondContact NE2-O 2.96Å; Q19-K23 VanDerWaalsContact NE2-O 3.09Å; A20-K23 HydrophobicContact CB-CB 4.08Å; A20-K23 HydrophobicContact CB-CG 3.94Å; A20-K23 WeakPolarHBondContact O-CB 3.47Å; A20-K23 PolarHBondContact O-N 2.76Å; P21-K23 PolarHBondContact O-N 2.78Å
24	G	96.1	Very high	97.1	Very high	54 Å²	54	45.9 Å²	45.9	56%	0.557	27%	0.269	S	S	*	.			trans	-73.7	178.4	170.3	0	0	0	0	0	112.4
25	L	96.7	Very high	97.1	Very high	101 Å²	101	48.1 Å²	48.1	53%	0.529	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.3	172.8	-65.4	171	0	0	0	110.2	V17 Q19 Y75 W88	V17-L25 HydrophobicContact CG1-CB 3.89Å; V17-L25 HydrophobicContact CG1-CD2 3.92Å; V17-L25 HydrophobicContact CG1-CG 4.41Å; Q19-L25 HydrophobicContact CB-CD2 4.12Å; Q19-L25 HydrophobicContact CG-CD2 4.49Å; L25-Y75 HydrophobicContact CD2-CD2 4.36Å; L25-Y75 HydrophobicContact CD2-CE2 4.22Å; L25-W88 HydrophobicContact CD1-CH2 3.99Å
26	E	96.6	Very high	97.1	Very high	65 Å²	65	52.2 Å²	52.2	30%	0.304	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.8	174.6	-176.3	-177.9	-158.1	0	0	108.6	V17 R18 L44	V17-E26 CarbonylContact C-O 3.4Å; V17-E26 WeakPolarHBondContact CA-O 3.2Å; V17-E26 WeakPolarHBondContact CG1-O 2.98Å; R18-E26 HydrophobicContact CG-CB 4.17Å; R18-E26 IonicContact CZ-OE2 3.75Å; R18-E26 VanDerWaalsContact CZ-OE2 3.23Å; R18-E26 PolarHBondContact N-O 3.17Å; R18-E26 IonicContact NE-OE2 2.82Å; R18-E26 PolarHBondContact NE-OE2 2.91Å; R18-E26 IonicContact NH2-OE1 3.26Å; R18-E26 IonicContact NH2-OE2 2.94Å; R18-E26 PolarHBondContact NH2-OE2 3.44Å; R18-E26 PolarHBondContact O-N 2.89Å; E26-L44 HydrophobicContact CG-CD1 4.29Å
27	W	96.9	Very high	97	Very high	75 Å²	75	54.5 Å²	54.5	28%	0.284	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.7	175.7	179.1	82	0	0	0	110.2	G29 E30 N39 Y40 T41 F85	W27-G29 VanDerWaalsContact CZ2-C 3.45Å; W27-G29 VanDerWaalsContact CZ2-CA 3.42Å; W27-G29 PolarHBondContact NE1-O 2.94Å; W27-E30 HydrophobicContact CZ2-CB 3.92Å; W27-E30 HydrophobicContact CZ2-CG 3.7Å; W27-N39 HydrophobicContact CH2-CB 3.76Å; W27-N39 HydrophobicContact CZ2-CB 4.32Å; W27-Y40 VanDerWaalsContact CZ3-C 3.5Å; W27-T41 VanDerWaalsContact CE3-OG1 3.25Å; W27-T41 WeakPolarHBondContact O-CB 3.31Å; W27-T41 PolarHBondContact O-OG1 2.8Å; W27-F85 AromaticContact CD1-CZ 3.72Å; W27-F85 AromaticContact NE1-CZ 3.93Å
28	I	97	Very high	97	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-47.1	179.3	-65.4	165.7	0	0	0	110.1	W16 R18 Y40 T41 L44 F48 L61 Y74	W16-I28 HydrophobicContact CB-CB 4.09Å; W16-I28 HydrophobicContact CB-CD1 4.07Å; W16-I28 WeakPolarHBondContact O-CB 3.41Å; W16-I28 PolarHBondContact O-N 2.82Å; R18-I28 HydrophobicContact CB-CD1 3.93Å; R18-I28 HydrophobicContact CB-CG1 4.44Å; R18-I28 HydrophobicContact CG-CD1 4.06Å; R18-I28 HydrophobicContact CG-CG1 4.08Å; I28-Y40 WeakPolarHBondContact O-CA 3.37Å; I28-T41 PolarHBondContact O-N 2.73Å; I28-L44 HydrophobicContact CB-CD1 4.45Å; I28-L44 HydrophobicContact CG1-CD1 4.06Å; I28-F48 HydrophobicContact CG2-CB 3.97Å; I28-F48 HydrophobicContact CG2-CD2 3.85Å; I28-F48 HydrophobicContact CG2-CG 4.03Å; I28-L61 HydrophobicContact CD1-CD2 3.95Å; I28-L61 HydrophobicContact CG2-CD1 4.34Å; I28-Y74 HydrophobicContact CD1-CD1 3.69Å; I28-Y74 HydrophobicContact CD1-CE1 3.68Å
29	G	97	Very high	97	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.3	176.5	-172.9	0	0	0	0	0	112.2	S15 W16 W27 N39	S15-G29 CarbonylContact C-O 3.53Å; S15-G29 VanDerWaalsContact CA-O 3.26Å; S15-G29 WeakPolarHBondContact CA-O 3.46Å; S15-G29 WeakPolarHBondContact CB-O 3.44Å; W16-G29 PolarHBondContact N-O 2.89Å; W27-G29 VanDerWaalsContact CZ2-C 3.45Å; W27-G29 VanDerWaalsContact CZ2-CA 3.42Å; W27-G29 PolarHBondContact NE1-O 2.94Å; G29-N39 CarbonylContact C-O 3.6Å; G29-N39 WeakPolarHBondContact CA-O 3.32Å
30	E	97.4	Very high	96.9	Very high	41 Å²	41	58.3 Å²	58.3	19%	0.192	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.2	178	71.8	-174.4	161.2	0	0	111.9	W13 M14 S15 W27 I38 N39	W13-E30 HydrophobicContact CE3-CB 4.24Å; W13-E30 HydrophobicContact CE3-CG 3.48Å; W13-E30 VanDerWaalsContact CE3-CG 3.48Å; W13-E30 HydrophobicContact CZ3-CG 3.63Å; M14-E30 CarbonylContact O-C 3.52Å; M14-E30 WeakPolarHBondContact O-CA 3.46Å; M14-E30 WeakPolarHBondContact O-CB 3.32Å; S15-E30 VanDerWaalsContact OG-CB 3.29Å; S15-E30 WeakPolarHBondContact OG-CB 3.4Å; W27-E30 HydrophobicContact CZ2-CB 3.92Å; W27-E30 HydrophobicContact CZ2-CG 3.7Å; E30-I38 CarbonylContact O-C 3.55Å; E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.47Å; E30-I38 VanDerWaalsContact O-CG2 3.24Å; E30-I38 WeakPolarHBondContact O-CG2 3.49Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 3.26Å; E30-N39 PolarHBondContact O-N 3.04Å; E30-N39 PolarHBondContact OE1-ND2 3.23Å; E30-N39 VanDerWaalsContact OE1-ND2 3.1Å
31	I	98.1	Very high	96.9	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.7	178.3	-174.9	160.9	0	0	0	110.1	W13 M14 I38 I50 R52 L59	W13-I31 WeakPolarHBondContact CA-O 3.32Å; M14-I31 HydrophobicContact CB-CG2 4.34Å; M14-I31 PolarHBondContact N-O 2.82Å; M14-I31 PolarHBondContact O-N 3.12Å; I31-I38 HydrophobicContact CB-CG1 4.42Å; I31-I38 HydrophobicContact CB-CG2 4.48Å; I31-I38 HydrophobicContact CD1-CD1 3.9Å; I31-I38 HydrophobicContact CD1-CG1 3.96Å; I31-I38 HydrophobicContact CG1-CD1 4.48Å; I31-I38 HydrophobicContact CG1-CG1 3.99Å; I31-I50 HydrophobicContact CB-CG2 3.85Å; I31-I50 HydrophobicContact CG2-CG2 3.61Å; I31-R52 HydrophobicContact CD1-CG 3.93Å; I31-R52 HydrophobicContact CG1-CG 4.36Å; I31-R52 HydrophobicContact CG2-CB 4.45Å; I31-R52 HydrophobicContact CG2-CG 4.5Å; I31-L59 HydrophobicContact CG2-CD1 3.5Å
32	N	96.7	Very high	96.8	Very high	14 Å²	14	59.3 Å²	59.3	8%	0.075	35%	0.353	C	S	.	.			trans	-77.3	166.6	179.7	78.9	-28.5	0	0	0	111.9	W13 D34 S35 S36 T37 R52	W13-N32 HydrophobicContact CD2-CB 3.67Å; W13-N32 HydrophobicContact CE3-CB 3.85Å; W13-N32 HydrophobicContact CG-CB 4.45Å; W13-N32 HydrophobicContact CH2-CB 3.62Å; W13-N32 HydrophobicContact CZ2-CB 3.38Å; W13-N32 HydrophobicContact CZ3-CB 3.83Å; N32-D34 VanDerWaalsContact C-N 3.34Å; N32-D34 VanDerWaalsContact CG-OD1 3.24Å; N32-D34 PolarHBondContact ND2-OD1 2.88Å; N32-D34 PolarHBondContact O-N 2.73Å; N32-D34 PolarHBondContact OD1-OD1 2.85Å; N32-D34 VanDerWaalsContact OD1-OD1 3.14Å; N32-S35 PolarHBondContact O-N 3.13Å; N32-S35 VanDerWaalsContact OD1-C 3.31Å; N32-S35 VanDerWaalsContact OD1-CA 3.25Å; N32-S35 WeakPolarHBondContact OD1-CA 3.42Å; N32-S35 PolarHBondContact OD1-N 2.02Å; N32-S36 PolarHBondContact ND2-OG 2.89Å; N32-S36 PolarHBondContact OD1-N 2.88Å; N32-T37 PolarHBondContact N-O 2.62Å; N32-T37 VanDerWaalsContact N-O 3.11Å; N32-T37 PolarHBondContact OD1-N 2.8Å; N32-T37 PolarHBondContact OD1-O 3.45Å; N32-T37 VanDerWaalsContact OD1-O 3.12Å; N32-R52 WeakPolarHBondContact O-CD 3.5Å; N32-R52 PolarHBondContact O-NH1 2.78Å
33	P	97.2	Very high	96.5	Very high	34 Å²	34	59.3 Å²	59.3	22%	0.221	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	-47.4	179.5	-41.8	44.9	0	0	0	117.1	S10 R52 N54	S10-P33 VanDerWaalsContact O-CB 3.26Å; S10-P33 WeakPolarHBondContact O-CB 3.42Å; P33-R52 VanDerWaalsContact CA-NH1 3.31Å; P33-N54 PolarHBondContact O-ND2 2.81Å
34	D	96.6	Very high	96.3	Very high	108 Å²	108	52.6 Å²	52.6	58%	0.578	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	4.4	-174	65.3	12.6	0	0	0	113.4	N32 S36	N32-D34 VanDerWaalsContact C-N 3.34Å; N32-D34 VanDerWaalsContact CG-OD1 3.24Å; N32-D34 PolarHBondContact ND2-OD1 2.88Å; N32-D34 PolarHBondContact O-N 2.73Å; N32-D34 PolarHBondContact OD1-OD1 2.85Å; N32-D34 VanDerWaalsContact OD1-OD1 3.14Å; D34-S36 PolarHBondContact O-N 3.32Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 3.43Å; D34-S36 PolarHBondContact OD1-N 2.86Å; D34-S36 PolarHBondContact OD1-OG 2.91Å; D34-S36 PolarHBondContact OD2-OG 3Å
35	S	97.5	Very high	95.9	Very high	53 Å²	53	56 Å²	56	37%	0.371	31%	0.309	S	S	.	.	S	Bend	trans	62.6	9.9	-178.3	-46.2	0	0	0	0	115.6	N32 T37 R52	N32-S35 PolarHBondContact O-N 3.13Å; N32-S35 VanDerWaalsContact OD1-C 3.31Å; N32-S35 VanDerWaalsContact OD1-CA 3.25Å; N32-S35 WeakPolarHBondContact OD1-CA 3.42Å; N32-S35 PolarHBondContact OD1-N 2.02Å; S35-T37 VanDerWaalsContact C-N 3.28Å; S35-T37 PolarHBondContact O-N 2.91Å; S35-R52 WeakPolarHBondContact OG-CD 3.37Å; S35-R52 WeakPolarHBondContact OG-CG 3.42Å
36	S	97.6	Very high	95.7	Very high	86 Å²	86	58.2 Å²	58.2	60%	0.601	32%	0.322	S	S	*	.	S	Bend	trans	-71.8	-23.7	177.3	62.6	0	0	0	0	113	N32 D34	N32-S36 PolarHBondContact ND2-OG 2.89Å; N32-S36 PolarHBondContact OD1-N 2.88Å; D34-S36 PolarHBondContact O-N 3.32Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 3.43Å; D34-S36 PolarHBondContact OD1-N 2.86Å; D34-S36 PolarHBondContact OD1-OG 2.91Å; D34-S36 PolarHBondContact OD2-OG 3Å
37	T	97.6	Very high	95.4	Very high	56 Å²	56	57.2 Å²	57.2	34%	0.344	32%	0.317	S	S	.	.			trans	-127.8	130.1	-178.5	-54.8	0	0	0	0	110.8	W13 N32 S35	W13-T37 HydrophobicContact CH2-CG2 3.94Å; N32-T37 PolarHBondContact N-O 2.62Å; N32-T37 VanDerWaalsContact N-O 3.11Å; N32-T37 PolarHBondContact OD1-N 2.8Å; N32-T37 PolarHBondContact OD1-O 3.45Å; N32-T37 VanDerWaalsContact OD1-O 3.12Å; S35-T37 VanDerWaalsContact C-N 3.28Å; S35-T37 PolarHBondContact O-N 2.91Å
38	I	97.6	Very high	95.3	Very high	64 Å²	64	53.7 Å²	53.7	33%	0.328	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.4	173.4	-44.9	178.6	0	0	0	108.6	E30 I31 Y40 I50	E30-I38 CarbonylContact O-C 3.55Å; E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.47Å; E30-I38 VanDerWaalsContact O-CG2 3.24Å; E30-I38 WeakPolarHBondContact O-CG2 3.49Å; I31-I38 HydrophobicContact CB-CG1 4.42Å; I31-I38 HydrophobicContact CB-CG2 4.48Å; I31-I38 HydrophobicContact CD1-CD1 3.9Å; I31-I38 HydrophobicContact CD1-CG1 3.96Å; I31-I38 HydrophobicContact CG1-CD1 4.48Å; I31-I38 HydrophobicContact CG1-CG1 3.99Å; I38-Y40 HydrophobicContact CB-CE2 3.9Å; I38-Y40 HydrophobicContact CG2-CD2 4.02Å; I38-Y40 HydrophobicContact CG2-CE1 4.4Å; I38-Y40 HydrophobicContact CG2-CE2 3.27Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.5Å; I38-I50 HydrophobicContact CG2-CB 4.18Å
39	N	96.6	Very high	95.3	Very high	67 Å²	67	57.6 Å²	57.6	36%	0.358	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	147	175.1	-58.1	-41.7	0	0	0	109.5	W27 G29 E30	W27-N39 HydrophobicContact CH2-CB 3.76Å; W27-N39 HydrophobicContact CZ2-CB 4.32Å; G29-N39 CarbonylContact C-O 3.6Å; G29-N39 WeakPolarHBondContact CA-O 3.32Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 3.26Å; E30-N39 PolarHBondContact O-N 3.04Å; E30-N39 PolarHBondContact OE1-ND2 3.23Å; E30-N39 VanDerWaalsContact OE1-ND2 3.1Å
40	Y	96.9	Very high	95.4	Very high	42 Å²	42	57.7 Å²	57.7	17%	0.165	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.4	179.8	-70.1	-87.8	0	0	0	110.9	W27 I28 I38 P42 K45 F48 I50	W27-Y40 VanDerWaalsContact CZ3-C 3.5Å; I28-Y40 WeakPolarHBondContact O-CA 3.37Å; I38-Y40 HydrophobicContact CB-CE2 3.9Å; I38-Y40 HydrophobicContact CG2-CD2 4.02Å; I38-Y40 HydrophobicContact CG2-CE1 4.4Å; I38-Y40 HydrophobicContact CG2-CE2 3.27Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.5Å; Y40-P42 WeakPolarHBondContact O-CD 2.98Å; Y40-K45 HydrophobicContact CD2-CD 4.36Å; Y40-K45 HydrophobicContact CD2-CG 3.9Å; Y40-K45 HydrophobicContact CE2-CG 4.49Å; Y40-K45 HydrophobicContact CG-CB 4.08Å; Y40-K45 HydrophobicContact CG-CG 3.97Å; Y40-F48 WeakPolarHBondContact CE1-O 3.15Å; Y40-I50 HydrophobicContact CD1-CD1 4.38Å; Y40-I50 HydrophobicContact CE1-CB 4.49Å; Y40-I50 HydrophobicContact CE1-CD1 3.88Å; Y40-I50 HydrophobicContact CE1-CG1 3.83Å; Y40-I50 PolarHBondContact OH-N 2.9Å
41	T	95.7	Very high	95.4	Very high	31 Å²	31	58.1 Å²	58.1	19%	0.19	33%	0.331	C	S	.	.			trans	-63.9	124.9	157.1	-68.4	0	0	0	0	108.5	W27 I28 S43 L44 K45	W27-T41 VanDerWaalsContact CE3-OG1 3.25Å; W27-T41 WeakPolarHBondContact O-CB 3.31Å; W27-T41 PolarHBondContact O-OG1 2.8Å; I28-T41 PolarHBondContact O-N 2.73Å; T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 WeakPolarHBondContact CG2-OG 3.29Å; T41-S43 PolarHBondContact O-N 2.8Å; T41-S43 VanDerWaalsContact O-N 3.13Å; T41-L44 HydrophobicContact CG2-CD1 4.3Å; T41-L44 HydrophobicContact CG2-CG 4.15Å; T41-L44 PolarHBondContact O-N 3.31Å; T41-K45 PolarHBondContact O-N 3.18Å
42	P	94	Very high	95.4	Very high	117 Å²	117	59.1 Å²	59.1	76%	0.76	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-38.6	-171.9	-30.7	35.8	0	0	0	114.7	Y40 L44	Y40-P42 WeakPolarHBondContact O-CD 2.98Å; P42-L44 PolarHBondContact O-N 3.39Å
43	S	90.7	Very high	95.5	Very high	88 Å²	88	60.4 Å²	60.4	62%	0.615	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-14.6	178.9	54.5	0	0	0	0	114.4	T41	T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 WeakPolarHBondContact CG2-OG 3.29Å; T41-S43 PolarHBondContact O-N 2.8Å; T41-S43 VanDerWaalsContact O-N 3.13Å
44	L	91.1	Very high	95.5	Very high	6 Å²	6	61.6 Å²	61.6	3%	0.031	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-13.8	-172.5	-60.9	-172.7	0	0	0	113.2	E26 I28 T41 P42 D46 K47 F48	E26-L44 HydrophobicContact CG-CD1 4.29Å; I28-L44 HydrophobicContact CB-CD1 4.45Å; I28-L44 HydrophobicContact CG1-CD1 4.06Å; T41-L44 HydrophobicContact CG2-CD1 4.3Å; T41-L44 HydrophobicContact CG2-CG 4.15Å; T41-L44 PolarHBondContact O-N 3.31Å; P42-L44 PolarHBondContact O-N 3.39Å; L44-D46 VanDerWaalsContact C-N 3.3Å; L44-D46 PolarHBondContact O-N 3.46Å; L44-K47 PolarHBondContact O-N 2.92Å; L44-K47 VanDerWaalsContact O-N 3.14Å; L44-F48 HydrophobicContact CB-CD2 3.97Å; L44-F48 HydrophobicContact CB-CE2 4.34Å; L44-F48 HydrophobicContact CD2-CE2 4.2Å; L44-F48 PolarHBondContact O-N 3.25Å
45	K	89.5	Confident	95.6	Very high	125 Å²	125	61.1 Å²	61.1	54%	0.543	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-36.5	-175.2	-175.8	177.5	177.9	-178.3	0	114.1	Y40 T41 K47	Y40-K45 HydrophobicContact CD2-CD 4.36Å; Y40-K45 HydrophobicContact CD2-CG 3.9Å; Y40-K45 HydrophobicContact CE2-CG 4.49Å; Y40-K45 HydrophobicContact CG-CB 4.08Å; Y40-K45 HydrophobicContact CG-CG 3.97Å; T41-K45 PolarHBondContact O-N 3.18Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.22Å
46	D	90.5	Very high	95.6	Very high	149 Å²	149	64.8 Å²	64.8	80%	0.797	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.5	-176.2	-64	-27	0	0	0	113.5	L44	L44-D46 VanDerWaalsContact C-N 3.3Å; L44-D46 PolarHBondContact O-N 3.46Å
47	K	92.3	Very high	95.6	Very high	43 Å²	43	63.7 Å²	63.7	19%	0.187	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-36	-178.5	-68.5	-174.7	172.4	-166.6	0	112.6	L44 K45 S64 E69 D70	L44-K47 PolarHBondContact O-N 2.92Å; L44-K47 VanDerWaalsContact O-N 3.14Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.22Å; K47-S64 PolarHBondContact O-N 3.14Å; K47-S64 PolarHBondContact O-OG 3.48Å; K47-E69 IonicContact NZ-OE1 2.8Å; K47-E69 PolarHBondContact NZ-OE1 3.36Å; K47-D70 IonicContact NZ-OD1 3.23Å; K47-D70 PolarHBondContact NZ-OD1 3.08Å; K47-D70 IonicContact NZ-OD2 2.73Å; K47-D70 PolarHBondContact NZ-OD2 3.1Å
48	F	94.8	Very high	95.6	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.009	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.9	-170.8	-61.7	-65.1	0	0	0	111.8	I28 Y40 L44 L61 Q62 M63 Y74	I28-F48 HydrophobicContact CG2-CB 3.97Å; I28-F48 HydrophobicContact CG2-CD2 3.85Å; I28-F48 HydrophobicContact CG2-CG 4.03Å; Y40-F48 WeakPolarHBondContact CE1-O 3.15Å; L44-F48 HydrophobicContact CB-CD2 3.97Å; L44-F48 HydrophobicContact CB-CE2 4.34Å; L44-F48 HydrophobicContact CD2-CE2 4.2Å; L44-F48 PolarHBondContact O-N 3.25Å; F48-L61 HydrophobicContact CB-CD1 3.83Å; F48-L61 HydrophobicContact CD1-CD1 4.19Å; F48-L61 HydrophobicContact CD1-CD2 4.32Å; F48-L61 HydrophobicContact CD1-CG 4.18Å; F48-L61 HydrophobicContact CG-CD1 4.26Å; F48-Q62 WeakPolarHBondContact CA-O 3.42Å; F48-M63 HydrophobicContact CD1-CB 4.01Å; F48-M63 HydrophobicContact CD1-CG 3.69Å; F48-M63 HydrophobicContact CE1-CB 3.92Å; F48-M63 HydrophobicContact CE1-CE 4.21Å; F48-M63 HydrophobicContact CE1-CG 3.61Å; F48-M63 HydrophobicContact CE1-SD 3.89Å; F48-Y74 HydrophobicContact CE1-CE1 4.17Å; F48-Y74 HydrophobicContact CZ-CE1 4.15Å
49	I	96.6	Very high	95.7	Very high	82 Å²	82	58.7 Å²	58.7	42%	0.421	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.3	173.8	-57.8	171.5	0	0	0	107.8	Q62	I49-Q62 HydrophobicContact CB-CB 4.22Å; I49-Q62 PolarHBondContact N-O 3.02Å; I49-Q62 PolarHBondContact O-N 3.22Å
50	I	98.1	Very high	95.8	Very high	2 Å²	2	59 Å²	59	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135	175	-57.9	174.2	0	0	0	108.6	I31 I38 Y40 L59 L61	I31-I50 HydrophobicContact CB-CG2 3.85Å; I31-I50 HydrophobicContact CG2-CG2 3.61Å; I38-I50 HydrophobicContact CG2-CB 4.18Å; Y40-I50 HydrophobicContact CD1-CD1 4.38Å; Y40-I50 HydrophobicContact CE1-CB 4.49Å; Y40-I50 HydrophobicContact CE1-CD1 3.88Å; Y40-I50 HydrophobicContact CE1-CG1 3.83Å; Y40-I50 PolarHBondContact OH-N 2.9Å; I50-L59 HydrophobicContact CG2-CD1 4.01Å; I50-L61 HydrophobicContact CG1-CD1 3.79Å
51	S	98.4	Very high	95.8	Very high	49 Å²	49	58 Å²	58	34%	0.343	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	165.2	170.9	62.9	0	0	0	0	110.4	Y60	S51-Y60 PolarHBondContact N-O 2.8Å; S51-Y60 PolarHBondContact O-N 2.82Å; S51-Y60 WeakPolarHBondContact OG-CB 3.19Å
52	R	98.5	Very high	95.9	Very high	24 Å²	24	62.3 Å²	62.3	9%	0.091	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.5	-178	64	-175.5	-65.9	158.7	3.5	111.6	F9 Y12 I31 N32 P33 S35 N54 T58 L59	F9-R52 VanDerWaalsContact CD1-NH2 3.31Å; F9-R52 HydrophobicContact CE1-CB 4.18Å; F9-R52 VanDerWaalsContact CE1-NH2 3.26Å; F9-R52 HydrophobicContact CZ-CB 4.12Å; F9-R52 PolarHBondContact O-NH2 3.21Å; Y12-R52 PolarHBondContact O-NH1 3.49Å; I31-R52 HydrophobicContact CD1-CG 3.93Å; I31-R52 HydrophobicContact CG1-CG 4.36Å; I31-R52 HydrophobicContact CG2-CB 4.45Å; I31-R52 HydrophobicContact CG2-CG 4.5Å; N32-R52 WeakPolarHBondContact O-CD 3.5Å; N32-R52 PolarHBondContact O-NH1 2.78Å; P33-R52 VanDerWaalsContact CA-NH1 3.31Å; S35-R52 WeakPolarHBondContact OG-CD 3.37Å; S35-R52 WeakPolarHBondContact OG-CG 3.42Å; R52-N54 PolarHBondContact NE-OD1 3.28Å; R52-N54 PolarHBondContact NH2-OD1 2.65Å; R52-T58 CarbonylContact C-O 3.59Å; R52-T58 WeakPolarHBondContact CA-O 3.26Å; R52-L59 HydrophobicContact CB-CD1 4.15Å
53	D	98.3	Very high	95.9	Very high	41 Å²	41	59.6 Å²	59.6	22%	0.219	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	107	171.1	-177.2	-23.1	0	0	0	108.2	A55 K56 N57 T58 Y60	D53-A55 WeakPolarHBondContact OD1-CB 3.22Å; D53-A55 PolarHBondContact OD1-N 3.48Å; D53-K56 HydrophobicContact CB-CB 4.22Å; D53-K56 PolarHBondContact O-N 3.06Å; D53-K56 PolarHBondContact OD1-N 3.11Å; D53-K56 VanDerWaalsContact OD1-N 3.08Å; D53-K56 WeakPolarHBondContact OD2-CD 3.02Å; D53-K56 WeakPolarHBondContact OD2-CE 3.48Å; D53-K56 WeakPolarHBondContact OD2-CG 3.43Å; D53-K56 IonicContact OD2-NZ 2.73Å; D53-K56 PolarHBondContact OD2-NZ 3.17Å; D53-N57 PolarHBondContact O-N 2.92Å; D53-T58 PolarHBondContact N-O 2.97Å; D53-T58 PolarHBondContact O-N 3.25Å; D53-Y60 HydrophobicContact CB-CE2 3.86Å
54	N	97.8	Very high	95.9	Very high	59 Å²	59	57.4 Å²	57.4	32%	0.316	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-28.1	-178.3	-72.2	-17.2	0	0	0	112.5	F9 P33 R52 K56 N57	F9-N54 WeakPolarHBondContact CD1-OD1 3.34Å; F9-N54 VanDerWaalsContact CE1-OD1 3.32Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.27Å; P33-N54 PolarHBondContact O-ND2 2.81Å; R52-N54 PolarHBondContact NE-OD1 3.28Å; R52-N54 PolarHBondContact NH2-OD1 2.65Å; N54-K56 VanDerWaalsContact C-N 3.27Å; N54-K56 PolarHBondContact O-N 2.94Å; N54-N57 PolarHBondContact O-N 2.81Å; N54-N57 PolarHBondContact O-OD1 2.85Å
55	A	97.1	Very high	95.6	Very high	98 Å²	98	65.8 Å²	65.8	81%	0.81	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.3	176.5	0	0	0	0	0	111.4	D53	D53-A55 WeakPolarHBondContact OD1-CB 3.22Å; D53-A55 PolarHBondContact OD1-N 3.48Å
56	K	97.8	Very high	95.7	Very high	130 Å²	130	62.9 Å²	62.9	57%	0.565	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	2.4	177	-61.6	-178.4	-166.6	160.5	0	114	D53 N54 T58	D53-K56 HydrophobicContact CB-CB 4.22Å; D53-K56 PolarHBondContact O-N 3.06Å; D53-K56 PolarHBondContact OD1-N 3.11Å; D53-K56 VanDerWaalsContact OD1-N 3.08Å; D53-K56 WeakPolarHBondContact OD2-CD 3.02Å; D53-K56 WeakPolarHBondContact OD2-CE 3.48Å; D53-K56 WeakPolarHBondContact OD2-CG 3.43Å; D53-K56 IonicContact OD2-NZ 2.73Å; D53-K56 PolarHBondContact OD2-NZ 3.17Å; N54-K56 VanDerWaalsContact C-N 3.27Å; N54-K56 PolarHBondContact O-N 2.94Å; K56-T58 PolarHBondContact O-N 2.89Å; K56-T58 VanDerWaalsContact O-N 3.11Å; K56-T58 PolarHBondContact O-OG1 2.9Å
57	N	97.8	Very high	95.8	Very high	62 Å²	62	62.7 Å²	62.7	33%	0.332	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	39.1	-171.3	-62.2	-37.3	0	0	0	113.1	A4 F9 D53 N54	A4-N57 PolarHBondContact N-O 3.23Å; F9-N57 HydrophobicContact CB-CB 3.93Å; F9-N57 WeakPolarHBondContact CB-OD1 3.35Å; F9-N57 HydrophobicContact CD1-CB 4.39Å; F9-N57 HydrophobicContact CG-CB 4.17Å; D53-N57 PolarHBondContact O-N 2.92Å; N54-N57 PolarHBondContact O-N 2.81Å; N54-N57 PolarHBondContact O-OD1 2.85Å
58	T	98.5	Very high	95.8	Very high	15 Å²	15	64.1 Å²	64.1	9%	0.092	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.7	-169.7	-59.3	0	0	0	0	111.8	C2 R52 D53 K56 Y60	C2-T58 CarbonylContact O-C 3.59Å; C2-T58 WeakPolarHBondContact O-CA 3.48Å; R52-T58 CarbonylContact C-O 3.59Å; R52-T58 WeakPolarHBondContact CA-O 3.26Å; D53-T58 PolarHBondContact N-O 2.97Å; D53-T58 PolarHBondContact O-N 3.25Å; K56-T58 PolarHBondContact O-N 2.89Å; K56-T58 VanDerWaalsContact O-N 3.11Å; K56-T58 PolarHBondContact O-OG1 2.9Å; T58-Y60 HydrophobicContact CG2-CD1 4.33Å; T58-Y60 HydrophobicContact CG2-CD2 4.28Å; T58-Y60 HydrophobicContact CG2-CE1 3.7Å; T58-Y60 HydrophobicContact CG2-CE2 3.65Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.45Å
59	L	98.7	Very high	95.7	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141	170.7	-171.5	71.6	0	0	0	110.3	S1 C2 F9 M14 W16 I31 I50 R52 C76	S1-L59 CarbonylContact C-O 3.59Å; S1-L59 VanDerWaalsContact CA-O 3.22Å; S1-L59 WeakPolarHBondContact CA-O 3.47Å; C2-L59 HydrophobicContact CB-CB 4.44Å; C2-L59 PolarHBondContact N-O 3.09Å; C2-L59 PolarHBondContact O-N 3.1Å; F9-L59 HydrophobicContact CE2-CB 4.25Å; F9-L59 HydrophobicContact CZ-CB 4.16Å; M14-L59 HydrophobicContact CB-CD1 3.77Å; M14-L59 HydrophobicContact CB-CD2 3.9Å; M14-L59 HydrophobicContact CB-CG 4.35Å; W16-L59 HydrophobicContact CD2-CD2 4.25Å; W16-L59 HydrophobicContact CG-CD2 4.29Å; W16-L59 HydrophobicContact CZ2-CB 4.48Å; W16-L59 HydrophobicContact CZ2-CD2 4.08Å; W16-L59 HydrophobicContact CZ2-CG 4.18Å; W16-L59 VanDerWaalsContact NE1-CG 3.33Å; I31-L59 HydrophobicContact CG2-CD1 3.5Å; I50-L59 HydrophobicContact CG2-CD1 4.01Å; R52-L59 HydrophobicContact CB-CD1 4.15Å; L59-C76 HydrophobicContact CD2-CB 4.06Å
60	Y	98.6	Very high	95.6	Very high	75 Å²	75	65.2 Å²	65.2	29%	0.294	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.4	179.4	-58.2	-87.9	0	0	0	110.8	W16 S51 D53 T58	W16-Y60 PolarHBondContact NE1-O 3.08Å; W16-Y60 VanDerWaalsContact NE1-O 3.11Å; S51-Y60 PolarHBondContact N-O 2.8Å; S51-Y60 PolarHBondContact O-N 2.82Å; S51-Y60 WeakPolarHBondContact OG-CB 3.19Å; D53-Y60 HydrophobicContact CB-CE2 3.86Å; T58-Y60 HydrophobicContact CG2-CD1 4.33Å; T58-Y60 HydrophobicContact CG2-CD2 4.28Å; T58-Y60 HydrophobicContact CG2-CE1 3.7Å; T58-Y60 HydrophobicContact CG2-CE2 3.65Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.45Å
61	L	98.1	Very high	95.5	Very high	21 Å²	21	66.6 Å²	66.6	11%	0.11	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	103.1	170.1	-172.9	62.8	0	0	0	106.2	W16 I28 F48 I50 M63 Y74	W16-L61 HydrophobicContact CB-CD1 4.35Å; W16-L61 HydrophobicContact CB-CD2 4.16Å; W16-L61 HydrophobicContact CD2-CB 3.84Å; W16-L61 HydrophobicContact CD2-CD2 3.84Å; W16-L61 HydrophobicContact CD2-CG 4.32Å; W16-L61 HydrophobicContact CE3-CB 4.45Å; W16-L61 HydrophobicContact CE3-CD2 4.03Å; W16-L61 HydrophobicContact CG-CB 4.11Å; W16-L61 HydrophobicContact CG-CD1 4.02Å; W16-L61 HydrophobicContact CG-CD2 3.89Å; W16-L61 HydrophobicContact CG-CG 4.26Å; W16-L61 HydrophobicContact CZ2-CB 3.94Å; I28-L61 HydrophobicContact CD1-CD2 3.95Å; I28-L61 HydrophobicContact CG2-CD1 4.34Å; F48-L61 HydrophobicContact CB-CD1 3.83Å; F48-L61 HydrophobicContact CD1-CD1 4.19Å; F48-L61 HydrophobicContact CD1-CD2 4.32Å; F48-L61 HydrophobicContact CD1-CG 4.18Å; F48-L61 HydrophobicContact CG-CD1 4.26Å; I50-L61 HydrophobicContact CG1-CD1 3.79Å; L61-M63 HydrophobicContact CD2-CE 3.43Å; L61-M63 VanDerWaalsContact CD2-CE 3.43Å; L61-M63 HydrophobicContact CG-CE 4.02Å; L61-M63 HydrophobicContact CG-CG 4.29Å; L61-Y74 HydrophobicContact CD2-CD1 3.78Å; L61-Y74 HydrophobicContact CD2-CE1 4.18Å
62	Q	97.3	Very high	95.4	Very high	120 Å²	120	64.4 Å²	64.4	56%	0.561	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	126.3	171.3	175.7	176.2	-13.9	0	0	108.1	F48 I49	F48-Q62 WeakPolarHBondContact CA-O 3.42Å; I49-Q62 HydrophobicContact CB-CB 4.22Å; I49-Q62 PolarHBondContact N-O 3.02Å; I49-Q62 PolarHBondContact O-N 3.22Å
63	M	94.5	Very high	95.4	Very high	60 Å²	60	66 Å²	66	30%	0.296	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.8	-178.3	-47.4	-175.6	170.4	0	0	108.5	F48 L61 V66 Y74 L94	F48-M63 HydrophobicContact CD1-CB 4.01Å; F48-M63 HydrophobicContact CD1-CG 3.69Å; F48-M63 HydrophobicContact CE1-CB 3.92Å; F48-M63 HydrophobicContact CE1-CE 4.21Å; F48-M63 HydrophobicContact CE1-CG 3.61Å; F48-M63 HydrophobicContact CE1-SD 3.89Å; L61-M63 HydrophobicContact CD2-CE 3.43Å; L61-M63 VanDerWaalsContact CD2-CE 3.43Å; L61-M63 HydrophobicContact CG-CE 4.02Å; L61-M63 HydrophobicContact CG-CG 4.29Å; M63-V66 HydrophobicContact CB-CG1 3.61Å; M63-V66 HydrophobicContact SD-CG1 4.42Å; M63-Y74 HydrophobicContact CE-CD1 3.46Å; M63-Y74 VanDerWaalsContact CE-CD1 3.46Å; M63-Y74 HydrophobicContact CE-CD2 4.18Å; M63-Y74 HydrophobicContact CE-CE1 3.42Å; M63-Y74 VanDerWaalsContact CE-CE1 3.42Å; M63-Y74 HydrophobicContact CE-CE2 4.17Å; M63-Y74 HydrophobicContact CE-CG 3.86Å; M63-Y74 HydrophobicContact SD-CE1 4.43Å; M63-L94 HydrophobicContact CE-CD2 4.33Å; M63-L94 HydrophobicContact SD-CD2 3.46Å; M63-L94 WeakPolarHBondContact SD-CD2 3.26Å
64	S	89.4	Confident	95.4	Very high	43 Å²	43	64.3 Å²	64.3	30%	0.301	33%	0.331	S	S	.	.			trans	-122.7	142.5	-179.8	63.3	0	0	0	0	110.6	K47 V66	K47-S64 PolarHBondContact O-N 3.14Å; K47-S64 PolarHBondContact O-OG 3.48Å; S64-V66 VanDerWaalsContact C-N 3.29Å; S64-V66 PolarHBondContact O-N 2.84Å
65	K	86.4	Confident	95.5	Very high	181 Å²	181	63.2 Å²	63.2	79%	0.787	32%	0.323	S	S	*	.	S	Bend	trans	52.6	44.2	-179.1	-55.1	175.1	-177.7	172.7	0	113
66	V	89.8	Confident	95.5	Very high	64 Å²	64	59 Å²	59	39%	0.388	29%	0.288	S	S	.	.			trans	-58.1	137.9	178.6	-67.5	0	0	0	0	111.2	M63 S64 V96	M63-V66 HydrophobicContact CB-CG1 3.61Å; M63-V66 HydrophobicContact SD-CG1 4.42Å; S64-V66 VanDerWaalsContact C-N 3.29Å; S64-V66 PolarHBondContact O-N 2.84Å; V66-V96 HydrophobicContact CB-CG2 4.24Å; V66-V96 HydrophobicContact CG2-CG2 4.35Å
67	R	92.8	Very high	95.5	Very high	145 Å²	145	53 Å²	53	55%	0.547	26%	0.262	S	S	.	.			trans	-125.9	171.4	179	-66.9	175.7	-176.2	-174.1	-1.9	110.5	E69 D70 V96	R67-E69 HydrophobicContact CB-CG 3.89Å; R67-E69 PolarHBondContact O-N 2.84Å; R67-D70 PolarHBondContact N-OD2 2.81Å; R67-D70 WeakPolarHBondContact O-CB 3.42Å; R67-D70 PolarHBondContact O-N 2.96Å; R67-V96 WeakPolarHBondContact O-CB 3.21Å
68	S	93.6	Very high	95.4	Very high	73 Å²	73	51 Å²	51	51%	0.51	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-54.7	-34.9	177.6	53	0	0	0	0	113	D70 T71 V96	S68-D70 PolarHBondContact O-N 2.78Å; S68-T71 VanDerWaalsContact O-CB 3.27Å; S68-T71 WeakPolarHBondContact O-CB 3.31Å; S68-T71 PolarHBondContact O-N 2.86Å; S68-T71 VanDerWaalsContact O-N 3.11Å; S68-T71 PolarHBondContact O-OG1 3.05Å; S68-V96 WeakPolarHBondContact CA-O 3.25Å
69	E	91.6	Very high	95	Very high	106 Å²	106	51 Å²	51	50%	0.495	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-62	-18.2	174.3	71.1	-147.7	-148.2	0	0	114.6	K47 R67 T71	K47-E69 IonicContact NZ-OE1 2.8Å; K47-E69 PolarHBondContact NZ-OE1 3.36Å; R67-E69 HydrophobicContact CB-CG 3.89Å; R67-E69 PolarHBondContact O-N 2.84Å; E69-T71 VanDerWaalsContact C-N 3.33Å
70	D	93.9	Very high	94.1	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.011	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-91.2	3.7	178.1	-59	-53.8	0	0	0	112.3	R18 K47 R67 S68 A72 Y74	R18-D70 IonicContact NH1-OD1 3.23Å; R18-D70 PolarHBondContact NH1-OD1 2.73Å; K47-D70 IonicContact NZ-OD1 3.23Å; K47-D70 PolarHBondContact NZ-OD1 3.08Å; K47-D70 IonicContact NZ-OD2 2.73Å; K47-D70 PolarHBondContact NZ-OD2 3.1Å; R67-D70 PolarHBondContact N-OD2 2.81Å; R67-D70 WeakPolarHBondContact O-CB 3.42Å; R67-D70 PolarHBondContact O-N 2.96Å; S68-D70 PolarHBondContact O-N 2.78Å; D70-A72 PolarHBondContact O-N 2.82Å; D70-Y74 WeakPolarHBondContact O-CE2 3.41Å; D70-Y74 PolarHBondContact O-OH 3.12Å
71	T	96.7	Very high	92.8	Very high	30 Å²	30	55.5 Å²	55.5	18%	0.184	29%	0.292	C	S	.	.			trans	-63.4	114.2	171.2	-65.9	0	0	0	0	110.3	P21 S68 E69 L94 T95 V96	P21-T71 WeakPolarHBondContact CD-O 3.42Å; P21-T71 HydrophobicContact CG-CG2 4.47Å; S68-T71 VanDerWaalsContact O-CB 3.27Å; S68-T71 WeakPolarHBondContact O-CB 3.31Å; S68-T71 PolarHBondContact O-N 2.86Å; S68-T71 VanDerWaalsContact O-N 3.11Å; S68-T71 PolarHBondContact O-OG1 3.05Å; E69-T71 VanDerWaalsContact C-N 3.33Å; T71-L94 VanDerWaalsContact CA-O 3.32Å; T71-L94 WeakPolarHBondContact CA-O 3.23Å; T71-T95 HydrophobicContact CG2-CG2 4.37Å; T71-V96 PolarHBondContact OG1-N 2.96Å; T71-V96 PolarHBondContact OG1-O 3.04Å
72	A	97.4	Very high	91.6	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.033	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	165.9	-176.2	0	0	0	0	0	111.7	R18 Q19 A20 D70 Y74 L94	R18-A72 HydrophobicContact CB-CB 4Å; R18-A72 HydrophobicContact CG-CB 4.49Å; Q19-A72 WeakPolarHBondContact O-CA 3.24Å; Q19-A72 WeakPolarHBondContact O-CB 3.2Å; A20-A72 HydrophobicContact CB-CB 4.48Å; D70-A72 PolarHBondContact O-N 2.82Å; A72-Y74 HydrophobicContact CB-CD2 4.23Å; A72-Y74 HydrophobicContact CB-CE2 3.69Å; A72-Y74 WeakPolarHBondContact O-CD2 3.46Å; A72-L94 PolarHBondContact N-O 2.58Å; A72-L94 VanDerWaalsContact N-O 3.08Å; A72-L94 PolarHBondContact O-N 2.75Å
73	L	98.3	Very high	90.4	Very high	58 Å²	58	57.4 Å²	57.4	30%	0.304	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	131	158	-84.6	154.1	0	0	0	109.1	R18 Q19 Y75 T93	R18-L73 CarbonylContact C-O 3.49Å; R18-L73 WeakPolarHBondContact CA-O 3.47Å; Q19-L73 HydrophobicContact CB-CB 4.43Å; Q19-L73 PolarHBondContact N-O 3.19Å; Q19-L73 PolarHBondContact O-N 3.26Å; L73-Y75 HydrophobicContact CB-CE2 3.67Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.32Å; L73-T93 WeakPolarHBondContact CD2-OG1 3.42Å
74	Y	98.4	Very high	90	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.2	179.6	-71.8	-99.9	0	0	0	110.2	R18 I28 F48 L61 M63 D70 A72 G91 T92 L94	R18-Y74 HydrophobicContact CB-CD1 3.85Å; R18-Y74 HydrophobicContact CB-CE1 3.82Å; R18-Y74 HydrophobicContact CB-CG 4.27Å; R18-Y74 HydrophobicContact CG-CE1 4.46Å; I28-Y74 HydrophobicContact CD1-CD1 3.69Å; I28-Y74 HydrophobicContact CD1-CE1 3.68Å; F48-Y74 HydrophobicContact CE1-CE1 4.17Å; F48-Y74 HydrophobicContact CZ-CE1 4.15Å; L61-Y74 HydrophobicContact CD2-CD1 3.78Å; L61-Y74 HydrophobicContact CD2-CE1 4.18Å; M63-Y74 HydrophobicContact CE-CD1 3.46Å; M63-Y74 VanDerWaalsContact CE-CD1 3.46Å; M63-Y74 HydrophobicContact CE-CD2 4.18Å; M63-Y74 HydrophobicContact CE-CE1 3.42Å; M63-Y74 VanDerWaalsContact CE-CE1 3.42Å; M63-Y74 HydrophobicContact CE-CE2 4.17Å; M63-Y74 HydrophobicContact CE-CG 3.86Å; M63-Y74 HydrophobicContact SD-CE1 4.43Å; D70-Y74 WeakPolarHBondContact O-CE2 3.41Å; D70-Y74 PolarHBondContact O-OH 3.12Å; A72-Y74 HydrophobicContact CB-CD2 4.23Å; A72-Y74 HydrophobicContact CB-CE2 3.69Å; A72-Y74 WeakPolarHBondContact O-CD2 3.46Å; Y74-G91 CarbonylContact O-C 3.44Å; Y74-G91 WeakPolarHBondContact O-CA 3.08Å; Y74-T92 PolarHBondContact N-O 3.47Å; Y74-T92 PolarHBondContact O-N 3.17Å; Y74-L94 HydrophobicContact CD2-CB 3.96Å; Y74-L94 HydrophobicContact CE2-CB 3.77Å; Y74-L94 HydrophobicContact CE2-CD2 4.09Å
75	Y	98.4	Very high	90	Very high	36 Å²	36	57.7 Å²	57.7	14%	0.141	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.1	-177.6	-54.2	-88.5	0	0	0	110.1	W16 V17 Q19 L25 L73 W88 G89	W16-Y75 WeakPolarHBondContact CA-O 3.37Å; V17-Y75 PolarHBondContact N-O 3.05Å; V17-Y75 PolarHBondContact O-N 3.11Å; Q19-Y75 HydrophobicContact CB-CE2 4.01Å; L25-Y75 HydrophobicContact CD2-CD2 4.36Å; L25-Y75 HydrophobicContact CD2-CE2 4.22Å; L73-Y75 HydrophobicContact CB-CE2 3.67Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.32Å; Y75-W88 HydrophobicContact CG-CE3 4.27Å; Y75-W88 HydrophobicContact CG-CZ3 4.39Å; Y75-G89 WeakPolarHBondContact CD1-O 3.45Å
76	C	97.9	Very high	90.2	Very high	11 Å²	11	52.6 Å²	52.6	7%	0.074	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	144.9	158.8	54.6	0	0	0	0	109.1	C2 S15 W16 L59 G89	C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.17Å; C2-C76 WeakPolarHBondContact SG-CB 3.5Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 3.03Å; S15-C76 CarbonylContact O-C 3.42Å; S15-C76 VanDerWaalsContact O-CA 3.31Å; S15-C76 WeakPolarHBondContact O-CA 3.49Å; W16-C76 HydrophobicContact CE3-CB 4.33Å; W16-C76 HydrophobicContact CH2-CB 4.12Å; W16-C76 HydrophobicContact CZ2-CB 4.37Å; W16-C76 HydrophobicContact CZ3-CB 4.1Å; L59-C76 HydrophobicContact CD2-CB 4.06Å; C76-G89 PolarHBondContact O-N 3Å
77	A	97.4	Very high	90.3	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.017	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.5	177.1	0	0	0	0	0	111.2	M14 S15 F85 Y87 W88	M14-A77 WeakPolarHBondContact CA-O 3.42Å; M14-A77 WeakPolarHBondContact CE-O 3.12Å; S15-A77 PolarHBondContact N-O 2.98Å; S15-A77 PolarHBondContact O-N 3.12Å; A77-F85 HydrophobicContact CB-CB 4.07Å; A77-F85 HydrophobicContact CB-CD1 3.86Å; A77-F85 HydrophobicContact CB-CD2 4.39Å; A77-F85 HydrophobicContact CB-CE1 4.46Å; A77-F85 HydrophobicContact CB-CG 3.84Å; A77-Y87 CarbonylContact C-O 3.55Å; A77-Y87 WeakPolarHBondContact CA-O 3.44Å; A77-W88 HydrophobicContact CB-CD2 3.93Å; A77-W88 HydrophobicContact CB-CE3 3.97Å; A77-W88 HydrophobicContact CB-CG 4.43Å; A77-W88 HydrophobicContact CB-CZ3 4.27Å
78	R	96.1	Very high	90.5	Very high	21 Å²	21	53.4 Å²	53.4	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.7	173.3	-172.4	-176.5	84.4	165.8	11	109.9	F7 Y12 M14 F85 D86 Y87	F7-R78 VanDerWaalsContact CE2-CD 3.47Å; F7-R78 HydrophobicContact CE2-CG 4.09Å; F7-R78 HydrophobicContact CZ-CB 4.37Å; F7-R78 HydrophobicContact CZ-CG 4.31Å; Y12-R78 HydrophobicContact CD1-CG 4.14Å; Y12-R78 HydrophobicContact CG-CG 3.88Å; M14-R78 HydrophobicContact CE-CB 4.3Å; M14-R78 HydrophobicContact SD-CB 4.02Å; M14-R78 HydrophobicContact SD-CG 3.96Å; R78-F85 WeakPolarHBondContact O-CA 3.2Å; R78-F85 WeakPolarHBondContact O-CD1 3.33Å; R78-D86 IonicContact CZ-OD1 3.45Å; R78-D86 IonicContact CZ-OD2 2.65Å; R78-D86 IonicContact NE-OD1 3.51Å; R78-D86 PolarHBondContact NE-OD1 3.4Å; R78-D86 IonicContact NE-OD2 3.46Å; R78-D86 PolarHBondContact NE-OD2 3.46Å; R78-D86 VanDerWaalsContact NH2-CG 3.28Å; R78-D86 IonicContact NH2-OD1 3.46Å; R78-D86 PolarHBondContact NH2-OD1 3.05Å; R78-D86 IonicContact NH2-OD2 3.48Å; R78-D86 PolarHBondContact NH2-OD2 3.08Å; R78-D86 PolarHBondContact O-N 3.23Å; R78-Y87 PolarHBondContact N-O 3.4Å; R78-Y87 VanDerWaalsContact NE-CD2 3.28Å
79	G	89.3	Confident	90.7	Very high	15 Å²	15	51.2 Å²	51.2	16%	0.155	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	125.4	170.5	0	0	0	0	0	111.6	W13	W13-G79 PolarHBondContact O-N 3.14Å
80	G	81.2	Confident	90.9	Very high	17 Å²	17	55 Å²	55	18%	0.175	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-90.5	166.8	174.7	0	0	0	0	0	113	A82 G83 G84 D86	G80-A82 PolarHBondContact O-N 3.46Å; G80-G83 PolarHBondContact O-N 3.11Å; G80-G84 WeakPolarHBondContact CA-O 3.25Å; G80-G84 PolarHBondContact N-O 3.21Å; G80-D86 WeakPolarHBondContact CA-OD2 3.33Å
81	T	69.6	Low	91	Very high	153 Å²	153	56.4 Å²	56.4	94%	0.939	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.7	-175.7	49.6	0	0	0	0	114.9
82	A	74	Confident	91.1	Very high	102 Å²	102	59.1 Å²	59.1	84%	0.843	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	13.3	179.4	0	0	0	0	0	113.7	G80 G84	G80-A82 PolarHBondContact O-N 3.46Å; A82-G84 VanDerWaalsContact C-N 3.28Å; A82-G84 PolarHBondContact O-N 2.62Å
83	G	72.6	Confident	91.1	Very high	78 Å²	78	63.2 Å²	63.2	80%	0.804	39%	0.385	S	S	*	.	S	Bend	trans	79.8	1.6	-179.8	0	0	0	0	0	115.3	G80	G80-G83 PolarHBondContact O-N 3.11Å
84	G	84.4	Confident	90.9	Very high	41 Å²	41	62.9 Å²	62.9	42%	0.423	38%	0.384	S	S	.	.	S	Bend	trans	-97.8	169.9	172	0	0	0	0	0	113	G80 A82	G80-G84 WeakPolarHBondContact CA-O 3.25Å; G80-G84 PolarHBondContact N-O 3.21Å; A82-G84 VanDerWaalsContact C-N 3.28Å; A82-G84 PolarHBondContact O-N 2.62Å
85	F	90.8	Very high	90.8	Very high	68 Å²	68	67.7 Å²	67.7	30%	0.298	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.3	173.6	-61.7	-52.6	0	0	0	111	S15 V17 W27 A77 R78 W88	S15-F85 WeakPolarHBondContact OG-CE1 3.12Å; V17-F85 HydrophobicContact CG2-CE2 4.12Å; W27-F85 AromaticContact CD1-CZ 3.72Å; W27-F85 AromaticContact NE1-CZ 3.93Å; A77-F85 HydrophobicContact CB-CB 4.07Å; A77-F85 HydrophobicContact CB-CD1 3.86Å; A77-F85 HydrophobicContact CB-CD2 4.39Å; A77-F85 HydrophobicContact CB-CE1 4.46Å; A77-F85 HydrophobicContact CB-CG 3.84Å; R78-F85 WeakPolarHBondContact O-CA 3.2Å; R78-F85 WeakPolarHBondContact O-CD1 3.33Å; F85-W88 HydrophobicContact CB-CZ2 3.7Å; F85-W88 VanDerWaalsContact CB-NE1 3.34Å; F85-W88 AromaticContact CD2-CH2 3.83Å; F85-W88 HydrophobicContact CD2-CH2 3.83Å; F85-W88 AromaticContact CD2-CZ2 3.4Å; F85-W88 HydrophobicContact CD2-CZ2 3.4Å; F85-W88 VanDerWaalsContact CD2-CZ2 3.4Å; F85-W88 HydrophobicContact CE2-CH2 4.43Å; F85-W88 HydrophobicContact CE2-CZ2 4.39Å; F85-W88 AromaticContact CG-CZ2 3.91Å; F85-W88 HydrophobicContact CG-CZ2 3.91Å; F85-W88 PolarHBondContact O-NE1 2.96Å
86	D	90	Very high	90.6	Very high	74 Å²	74	67.3 Å²	67.3	40%	0.396	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-18.4	-176	54.9	4.9	0	0	0	113.9	R78 G80	R78-D86 IonicContact CZ-OD1 3.45Å; R78-D86 IonicContact CZ-OD2 2.65Å; R78-D86 IonicContact NE-OD1 3.51Å; R78-D86 PolarHBondContact NE-OD1 3.4Å; R78-D86 IonicContact NE-OD2 3.46Å; R78-D86 PolarHBondContact NE-OD2 3.46Å; R78-D86 VanDerWaalsContact NH2-CG 3.28Å; R78-D86 IonicContact NH2-OD1 3.46Å; R78-D86 PolarHBondContact NH2-OD1 3.05Å; R78-D86 IonicContact NH2-OD2 3.48Å; R78-D86 PolarHBondContact NH2-OD2 3.08Å; R78-D86 PolarHBondContact O-N 3.23Å; G80-D86 WeakPolarHBondContact CA-OD2 3.33Å
87	Y	93.1	Very high	90.2	Very high	124 Å²	124	71.9 Å²	71.9	49%	0.486	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.7	172.1	-68.4	-99.1	0	0	0	111.1	A77 R78	A77-Y87 CarbonylContact C-O 3.55Å; A77-Y87 WeakPolarHBondContact CA-O 3.44Å; R78-Y87 PolarHBondContact N-O 3.4Å; R78-Y87 VanDerWaalsContact NE-CD2 3.28Å
88	W	96.4	Very high	89.3	Confident	103 Å²	103	80.3 Å²	80.3	39%	0.39	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.9	178.7	-69.2	78.7	0	0	0	110.7	V17 L25 Y75 A77 F85	V17-W88 HydrophobicContact CB-CH2 4.14Å; V17-W88 HydrophobicContact CB-CZ3 3.79Å; V17-W88 HydrophobicContact CG1-CH2 4.05Å; V17-W88 HydrophobicContact CG1-CZ3 3.97Å; V17-W88 HydrophobicContact CG2-CH2 3.85Å; V17-W88 HydrophobicContact CG2-CZ3 3.86Å; L25-W88 HydrophobicContact CD1-CH2 3.99Å; Y75-W88 HydrophobicContact CG-CE3 4.27Å; Y75-W88 HydrophobicContact CG-CZ3 4.39Å; A77-W88 HydrophobicContact CB-CD2 3.93Å; A77-W88 HydrophobicContact CB-CE3 3.97Å; A77-W88 HydrophobicContact CB-CG 4.43Å; A77-W88 HydrophobicContact CB-CZ3 4.27Å; F85-W88 HydrophobicContact CB-CZ2 3.7Å; F85-W88 VanDerWaalsContact CB-NE1 3.34Å; F85-W88 AromaticContact CD2-CH2 3.83Å; F85-W88 HydrophobicContact CD2-CH2 3.83Å; F85-W88 AromaticContact CD2-CZ2 3.4Å; F85-W88 HydrophobicContact CD2-CZ2 3.4Å; F85-W88 VanDerWaalsContact CD2-CZ2 3.4Å; F85-W88 HydrophobicContact CE2-CH2 4.43Å; F85-W88 HydrophobicContact CE2-CZ2 4.39Å; F85-W88 AromaticContact CG-CZ2 3.91Å; F85-W88 HydrophobicContact CG-CZ2 3.91Å; F85-W88 PolarHBondContact O-NE1 2.96Å
89	G	96.6	Very high	89	Confident	26 Å²	26	83.3 Å²	83.3	27%	0.268	53%	0.527	S	S	.	.			trans	-69.5	160	162.9	0	0	0	0	0	111	Y75 C76 G91	Y75-G89 WeakPolarHBondContact CD1-O 3.45Å; C76-G89 PolarHBondContact O-N 3Å; G89-G91 PolarHBondContact O-N 3.48Å; G89-G91 VanDerWaalsContact O-N 3.12Å
90	Q	96.2	Very high	89	Confident	186 Å²	186	86.9 Å²	86.9	87%	0.869	55%	0.547	S	S	*	.			trans	-65.3	-14.3	177.8	-64.1	-60.7	-42	0	0	113.6
91	G	96.7	Very high	89.4	Confident	32 Å²	32	90.8 Å²	90.8	33%	0.33	57%	0.567	S	S	.	*			trans	86.7	159.5	-177.3	0	0	0	0	0	112.9	Y74 G89	Y74-G91 CarbonylContact O-C 3.44Å; Y74-G91 WeakPolarHBondContact O-CA 3.08Å; G89-G91 PolarHBondContact O-N 3.48Å; G89-G91 VanDerWaalsContact O-N 3.12Å
92	T	97.8	Very high	90.6	Very high	87 Å²	87	87.1 Å²	87.1	53%	0.534	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135	172	-172.7	0	0	0	0	109.5	Y74	Y74-T92 PolarHBondContact N-O 3.47Å; Y74-T92 PolarHBondContact O-N 3.17Å
93	T	97.4	Very high	91.6	Very high	89 Å²	89	86.2 Å²	86.2	55%	0.546	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.4	177.3	-53	0	0	0	0	109.8	L73	L73-T93 WeakPolarHBondContact CD2-OG1 3.42Å
94	L	95.8	Very high	92.9	Very high	52 Å²	52	86.7 Å²	86.7	27%	0.272	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.5	162.8	176.3	66.1	0	0	0	108.1	M63 T71 A72 Y74 V96	M63-L94 HydrophobicContact CE-CD2 4.33Å; M63-L94 HydrophobicContact SD-CD2 3.46Å; M63-L94 WeakPolarHBondContact SD-CD2 3.26Å; T71-L94 VanDerWaalsContact CA-O 3.32Å; T71-L94 WeakPolarHBondContact CA-O 3.23Å; A72-L94 PolarHBondContact N-O 2.58Å; A72-L94 VanDerWaalsContact N-O 3.08Å; A72-L94 PolarHBondContact O-N 2.75Å; Y74-L94 HydrophobicContact CD2-CB 3.96Å; Y74-L94 HydrophobicContact CE2-CB 3.77Å; Y74-L94 HydrophobicContact CE2-CD2 4.09Å; L94-V96 HydrophobicContact CD1-CG2 4.38Å; L94-V96 HydrophobicContact CD2-CG2 4.2Å; L94-V96 HydrophobicContact CG-CG2 4.01Å
95	T	96	Very high	93.5	Very high	105 Å²	105	90 Å²	90	64%	0.644	52%	0.515	S	S	*	.			trans	-113.6	128.2	172.7	-55.8	0	0	0	0	108.9	T71	T71-T95 HydrophobicContact CG2-CG2 4.37Å
96	V	93.2	Very high	93.7	Very high	28 Å²	28	91.7 Å²	91.7	17%	0.17	53%	0.531	C	S	.	.			trans	-122.3	116.7	177.5	-174	0	0	0	0	107.9	V66 R67 S68 T71 L94	V66-V96 HydrophobicContact CB-CG2 4.24Å; V66-V96 HydrophobicContact CG2-CG2 4.35Å; R67-V96 WeakPolarHBondContact O-CB 3.21Å; S68-V96 WeakPolarHBondContact CA-O 3.25Å; T71-V96 PolarHBondContact OG1-N 2.96Å; T71-V96 PolarHBondContact OG1-O 3.04Å; L94-V96 HydrophobicContact CD1-CG2 4.38Å; L94-V96 HydrophobicContact CD2-CG2 4.2Å; L94-V96 HydrophobicContact CG-CG2 4.01Å
97	S	89.2	Confident	94	Very high	106 Å²	106	93.2 Å²	93.2	74%	0.741	54%	0.542	S	S	*	.			trans	-101.5	153.1	172	56.8	0	0	0	0	110.3
98	S	79.6	Confident	94.1	Very high	180 Å²	180	90.4 Å²	90.4	100%	1.259	55%	0.548	S	S	*	.			trans	-71.8	0	172	56.5	0	0	0	0	112.8

Retrieved 98 of 98 residues in 24.4 ms (Link to these results)

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