X5J5L5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5L5, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 109 aa.

						>X5J5L5_MOUSE|X5J5L5|Ighv4-2
GGLVQPGGSLKLSCAASGSDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCARTGYYALDYWGQGTSVTASS
					

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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	52.8	Low	77.1	Confident	93 Å²	93	72.8 Å²	72.8	96%	0.959	48%	0.475	S	S	*	.				0	146	0	0	0	0	0	0	109.2	T103 S104	G1-T103 WeakPolarHBondContact CA-OG1 3.49Å; G1-T103 PolarHBondContact N-OG1 3.36Å; G1-S104 WeakPolarHBondContact CA-O 3.26Å
2	G	65.3	Low	78.7	Confident	27 Å²	27	67.7 Å²	67.7	28%	0.278	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.2	179.9	0	0	0	0	0	110.6	S104	G2-S104 PolarHBondContact N-O 2.97Å
3	L	70.5	Confident	80.1	Confident	138 Å²	138	68.7 Å²	68.7	72%	0.723	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	128.1	166.6	-175.4	71.9	0	0	0	107.7
4	V	73.5	Confident	81.2	Confident	15 Å²	15	65 Å²	65	9%	0.091	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.7	-178.1	-173.8	0	0	0	0	109	L10 V78 T106	V4-L10 HydrophobicContact CG2-CB 4.07Å; V4-L10 HydrophobicContact CG2-CD1 3.78Å; V4-L10 HydrophobicContact CG2-CD2 3.83Å; V4-L10 HydrophobicContact CG2-CG 4.08Å; V4-V78 HydrophobicContact CG1-CB 4.42Å; V4-V78 HydrophobicContact CG1-CG2 4.48Å; V4-T106 PolarHBondContact N-O 3.26Å
5	Q	74.6	Confident	82	Confident	163 Å²	163	66.1 Å²	66.1	76%	0.762	44%	0.442	S	S	*	.			trans	-66.4	144.6	173	-68.1	-150.1	-20.1	0	0	110.8	G7 G8	Q5-G7 PolarHBondContact O-N 3.31Å; Q5-G8 PolarHBondContact O-N 2.98Å
6	P	74.5	Confident	82.4	Confident	60 Å²	60	64.1 Å²	64.1	39%	0.39	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	138.5	175	-27.1	35.1	0	0	0	112	G8 V78 S108	P6-G8 PolarHBondContact O-N 2.94Å; P6-V78 WeakPolarHBondContact CA-O 3.3Å; P6-S108 WeakPolarHBondContact CD-O 3.23Å; P6-S108 WeakPolarHBondContact CG-O 3.25Å
7	G	75.8	Confident	82.4	Confident	51 Å²	51	67.8 Å²	67.8	53%	0.526	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-9.6	-178	0	0	0	0	0	114.5	Q5 V78	Q5-G7 PolarHBondContact O-N 3.31Å; G7-V78 PolarHBondContact N-O 2.65Å
8	G	85.2	Confident	81.9	Confident	25 Å²	25	66.6 Å²	66.6	26%	0.258	46%	0.46	S	S	.	.			trans	-68.7	170.8	172.5	0	0	0	0	0	113.3	Q5 P6 K77 V78	Q5-G8 PolarHBondContact O-N 2.98Å; P6-G8 PolarHBondContact O-N 2.94Å; G8-K77 PolarHBondContact O-N 3.33Å; G8-V78 WeakPolarHBondContact O-CG2 3.49Å; G8-V78 PolarHBondContact O-N 2.83Å
9	S	89.3	Confident	81.2	Confident	81 Å²	81	67.6 Å²	67.6	57%	0.566	47%	0.468	S	S	*	.			trans	-112.9	145.2	172.3	-63.4	0	0	0	0	110	M75	S9-M75 CarbonylContact C-O 3.59Å; S9-M75 WeakPolarHBondContact CA-O 3.48Å; S9-M75 WeakPolarHBondContact CB-O 3Å
10	L	92.1	Very high	81	Confident	33 Å²	33	67.2 Å²	67.2	17%	0.173	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.2	178.4	-175.2	62.4	0	0	0	109.8	V4 L12 Q74 M75 V78 V105	V4-L10 HydrophobicContact CG2-CB 4.07Å; V4-L10 HydrophobicContact CG2-CD1 3.78Å; V4-L10 HydrophobicContact CG2-CD2 3.83Å; V4-L10 HydrophobicContact CG2-CG 4.08Å; L10-L12 HydrophobicContact CD2-CD2 3.53Å; L10-L12 HydrophobicContact CD2-CG 4.28Å; L10-L12 HydrophobicContact CG-CD2 3.97Å; L10-Q74 WeakPolarHBondContact O-CA 2.76Å; L10-M75 HydrophobicContact CB-CB 4.42Å; L10-M75 HydrophobicContact CD2-SD 4.34Å; L10-M75 PolarHBondContact N-O 3.21Å; L10-M75 PolarHBondContact O-N 2.95Å; L10-V78 HydrophobicContact CB-CG2 4.32Å; L10-V105 HydrophobicContact CD2-CB 4.43Å; L10-V105 HydrophobicContact CD2-CG1 3.84Å; L10-V105 HydrophobicContact CD2-CG2 3.69Å
11	K	95.1	Very high	81.3	Confident	115 Å²	115	64.4 Å²	64.4	50%	0.5	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	112.5	168.8	-173.4	174.2	-179.7	174.4	0	109.2	Y72 L73	K11-Y72 HydrophobicContact CD-CD1 4.43Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 VanDerWaalsContact CE-CG 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.43Å; K11-L73 CarbonylContact C-O 3.53Å; K11-L73 WeakPolarHBondContact CA-O 3.42Å
12	L	96.3	Very high	83	Confident	11 Å²	11	62.2 Å²	62.2	6%	0.058	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	149	171.7	-55.6	-178.4	0	0	0	109.8	L10 W28 Y72 L73 M75 Y86 T103 V105	L10-L12 HydrophobicContact CD2-CD2 3.53Å; L10-L12 HydrophobicContact CD2-CG 4.28Å; L10-L12 HydrophobicContact CG-CD2 3.97Å; L12-W28 HydrophobicContact CB-CH2 3.82Å; L12-W28 HydrophobicContact CB-CZ2 4.23Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CH2 4.41Å; L12-W28 HydrophobicContact CD1-CZ3 4.2Å; L12-Y72 WeakPolarHBondContact O-CA 3.29Å; L12-L73 HydrophobicContact CB-CB 4.22Å; L12-L73 HydrophobicContact CD1-CD2 4.26Å; L12-L73 PolarHBondContact N-O 2.79Å; L12-L73 PolarHBondContact O-N 3.06Å; L12-M75 HydrophobicContact CD1-SD 4.12Å; L12-M75 HydrophobicContact CG-SD 4.32Å; L12-Y86 HydrophobicContact CD1-CD1 3.96Å; L12-Y86 HydrophobicContact CD1-CD2 4.24Å; L12-Y86 HydrophobicContact CD1-CG 3.67Å; L12-T103 HydrophobicContact CD1-CG2 3.86Å; L12-T103 HydrophobicContact CD2-CG2 3.9Å; L12-T103 HydrophobicContact CG-CG2 4.37Å; L12-V105 HydrophobicContact CD1-CG2 4.04Å; L12-V105 HydrophobicContact CD2-CG2 3.87Å; L12-V105 HydrophobicContact CG-CG2 4.49Å
13	S	96.3	Very high	84.3	Confident	81 Å²	81	67.9 Å²	67.9	57%	0.566	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.9	171.7	57.8	0	0	0	0	110.3	L71	S13-L71 CarbonylContact C-O 3.43Å; S13-L71 WeakPolarHBondContact CA-O 3.34Å
14	C	95.1	Very high	85.3	Confident	17 Å²	17	65 Å²	65	12%	0.115	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	110.1	171.7	165.3	0	0	0	0	108.6	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 4.01Å; C14-W28 HydrophobicContact CB-CZ2 4.06Å; C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.3Å; C14-L71 HydrophobicContact CB-CB 4.4Å; C14-L71 PolarHBondContact N-O 3.3Å; C14-L71 PolarHBondContact O-N 3.01Å; C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.2Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.21Å
15	A	93.8	Very high	86.3	Confident	81 Å²	81	68.2 Å²	68.2	67%	0.669	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.5	174.2	0	0	0	0	0	109.2
16	A	88.6	Confident	87.3	Confident	34 Å²	34	61 Å²	61	28%	0.281	38%	0.38	S	S	.	.			trans	-89.3	133.9	173.8	0	0	0	0	0	110.3	F21 N69	A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.28Å; A16-F21 HydrophobicContact CB-CG 4.05Å; A16-N69 PolarHBondContact N-O 3.16Å
17	S	81.5	Confident	88.4	Confident	127 Å²	127	58.2 Å²	58.2	89%	0.888	36%	0.362	S	S	*	.			trans	-85.9	116	169.4	54.3	0	0	0	0	109.5
18	G	73.4	Confident	89.4	Confident	47 Å²	47	55.9 Å²	55.9	49%	0.485	34%	0.338	S	S	.	.	S	Bend	trans	126.5	160.8	174.8	0	0	0	0	0	114.2	D20	G18-D20 PolarHBondContact O-N 3.49Å
19	S	68.4	Low	90	Very high	86 Å²	86	54.9 Å²	54.9	60%	0.601	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	4.3	-176.5	53.6	0	0	0	0	114.3	R23	S19-R23 PolarHBondContact O-NH2 3.17Å
20	D	77.2	Confident	90.4	Very high	59 Å²	59	52.3 Å²	52.3	32%	0.316	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-18.3	-174.8	-82.8	-2.1	0	0	0	112.7	G18 S22 R23 Y24	G18-D20 PolarHBondContact O-N 3.49Å; D20-S22 VanDerWaalsContact C-N 3.26Å; D20-S22 PolarHBondContact O-N 3.05Å; D20-S22 VanDerWaalsContact O-N 3.14Å; D20-R23 PolarHBondContact O-N 2.81Å; D20-R23 IonicContact OD1-CZ 2.65Å; D20-R23 IonicContact OD1-NE 2.78Å; D20-R23 IonicContact OD1-NH1 3.8Å; D20-R23 PolarHBondContact OD1-NH1 3.37Å; D20-R23 IonicContact OD1-NH2 3.36Å; D20-R23 PolarHBondContact OD1-NH2 3.41Å; D20-Y24 HydrophobicContact CB-CD2 3.84Å; D20-Y24 HydrophobicContact CB-CE2 3.65Å; D20-Y24 WeakPolarHBondContact O-CD2 3.48Å; D20-Y24 PolarHBondContact O-N 2.72Å
21	F	87.6	Confident	90.7	Very high	8 Å²	8	54 Å²	54	4%	0.035	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-49	-48.2	-176.7	178.7	-95.5	0	0	0	112.4	A16 R23 Y24 M26 R64 N66 N69 T70 L71	A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.28Å; A16-F21 HydrophobicContact CB-CG 4.05Å; F21-R23 PolarHBondContact O-N 3.27Å; F21-R23 VanDerWaalsContact O-N 3.16Å; F21-Y24 PolarHBondContact O-N 3.3Å; F21-M26 HydrophobicContact CD2-CE 3.94Å; F21-M26 HydrophobicContact CD2-CG 4.04Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-M26 HydrophobicContact CE2-CG 3.71Å; F21-M26 HydrophobicContact CE2-SD 4.14Å; F21-M26 HydrophobicContact CZ-CG 4.26Å; F21-R64 HydrophobicContact CE1-CB 4.24Å; F21-R64 HydrophobicContact CZ-CB 4.09Å; F21-R64 PolarHBondContact O-NH2 2.84Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.36Å; F21-N69 HydrophobicContact CB-CB 4Å; F21-N69 HydrophobicContact CD1-CB 4.18Å; F21-N69 HydrophobicContact CG-CB 4.09Å; F21-T70 WeakPolarHBondContact CZ-O 3.43Å; F21-L71 HydrophobicContact CE2-CB 4Å; F21-L71 HydrophobicContact CZ-CB 4.06Å
22	S	89.4	Confident	90.7	Very high	48 Å²	48	49.8 Å²	49.8	34%	0.336	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-66.7	-11.6	-178.8	61.2	0	0	0	0	115	D20 P45	D20-S22 VanDerWaalsContact C-N 3.26Å; D20-S22 PolarHBondContact O-N 3.05Å; D20-S22 VanDerWaalsContact O-N 3.14Å; S22-P45 WeakPolarHBondContact O-CB 3.03Å
23	R	90.9	Very high	90.6	Very high	145 Å²	145	54.2 Å²	54.2	55%	0.547	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-103.2	-15.7	-177.5	-72.5	-179.3	-94.3	156.1	1.3	113.6	S19 D20 F21 P45	S19-R23 PolarHBondContact O-NH2 3.17Å; D20-R23 PolarHBondContact O-N 2.81Å; D20-R23 IonicContact OD1-CZ 2.65Å; D20-R23 IonicContact OD1-NE 2.78Å; D20-R23 IonicContact OD1-NH1 3.8Å; D20-R23 PolarHBondContact OD1-NH1 3.37Å; D20-R23 IonicContact OD1-NH2 3.36Å; D20-R23 PolarHBondContact OD1-NH2 3.41Å; F21-R23 PolarHBondContact O-N 3.27Å; F21-R23 VanDerWaalsContact O-N 3.16Å; R23-P45 WeakPolarHBondContact O-CG 3.19Å
24	Y	92.1	Very high	90.5	Very high	79 Å²	79	54.5 Å²	54.5	31%	0.31	34%	0.343	S	S	.	.	S	Bend	trans	-111.6	154.8	-176.4	-66.3	-78.7	0	0	0	112.8	D20 F21 R64 R90	D20-Y24 HydrophobicContact CB-CD2 3.84Å; D20-Y24 HydrophobicContact CB-CE2 3.65Å; D20-Y24 WeakPolarHBondContact O-CD2 3.48Å; D20-Y24 PolarHBondContact O-N 2.72Å; F21-Y24 PolarHBondContact O-N 3.3Å; Y24-R64 PolarHBondContact O-NH1 2.86Å; Y24-R90 HydrophobicContact CD1-CG 4.42Å; Y24-R90 HydrophobicContact CD2-CG 4.45Å; Y24-R90 HydrophobicContact CG-CG 3.93Å
25	W	95.2	Very high	90.5	Very high	81 Å²	81	60.7 Å²	60.7	31%	0.307	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	144.9	163.3	-75	68	0	0	0	109.3	E42 I43 N44 T49 N51 T91	W25-E42 HydrophobicContact CE3-CB 4.27Å; W25-E42 HydrophobicContact CE3-CG 3.46Å; W25-E42 VanDerWaalsContact CE3-CG 3.46Å; W25-E42 HydrophobicContact CZ3-CG 3.65Å; W25-I43 WeakPolarHBondContact CA-O 3.08Å; W25-N44 HydrophobicContact CD2-CB 3.63Å; W25-N44 HydrophobicContact CE3-CB 3.94Å; W25-N44 HydrophobicContact CG-CB 4.3Å; W25-N44 HydrophobicContact CH2-CB 3.8Å; W25-N44 HydrophobicContact CZ2-CB 3.43Å; W25-N44 VanDerWaalsContact CZ2-CB 3.43Å; W25-N44 HydrophobicContact CZ3-CB 4.02Å; W25-T49 HydrophobicContact CH2-CG2 3.88Å; W25-T49 HydrophobicContact CZ3-CG2 4.47Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.36Å; W25-T91 PolarHBondContact O-N 3.08Å
26	M	95.8	Very high	90.6	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.059	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.1	-176.4	-60.3	-58.7	-57.8	0	0	109.7	F21 E42 I43 L71 A89 R90	F21-M26 HydrophobicContact CD2-CE 3.94Å; F21-M26 HydrophobicContact CD2-CG 4.04Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-M26 HydrophobicContact CE2-CG 3.71Å; F21-M26 HydrophobicContact CE2-SD 4.14Å; F21-M26 HydrophobicContact CZ-CG 4.26Å; M26-E42 CarbonylContact O-C 3.49Å; M26-E42 WeakPolarHBondContact O-CA 3.48Å; M26-E42 WeakPolarHBondContact O-CB 3.42Å; M26-I43 HydrophobicContact CB-CG2 4.3Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 2.01Å; M26-L71 HydrophobicContact CB-CD1 3.77Å; M26-L71 HydrophobicContact CB-CD2 3.9Å; M26-L71 HydrophobicContact CB-CG 4.36Å; M26-A89 CarbonylContact C-O 3.59Å; M26-A89 WeakPolarHBondContact CA-O 3.2Å; M26-R90 HydrophobicContact CE-CB 4.4Å; M26-R90 HydrophobicContact SD-CB 4.21Å; M26-R90 HydrophobicContact SD-CG 4.16Å
27	S	96.9	Very high	90.9	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.007	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	151.9	-175.8	-77.4	0	0	0	0	112.2	W39 G41 E42 C88 A89 T91	S27-W39 PolarHBondContact OG-NE1 2.85Å; S27-G41 CarbonylContact C-O 3.43Å; S27-G41 VanDerWaalsContact CA-O 3.32Å; S27-G41 WeakPolarHBondContact CA-O 3.1Å; S27-E42 WeakPolarHBondContact OG-CB 3.49Å; S27-C88 CarbonylContact O-C 3.42Å; S27-C88 VanDerWaalsContact O-CA 3.31Å; S27-C88 WeakPolarHBondContact O-CA 3.19Å; S27-A89 PolarHBondContact N-O 3.01Å; S27-A89 PolarHBondContact O-N 3.42Å; S27-T91 PolarHBondContact OG-OG1 3Å
28	W	97.9	Very high	91.7	Very high	3 Å²	3	59.8 Å²	59.8	1%	0.011	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.3	158.6	-80.8	99.9	0	0	0	110.4	L12 C14 I40 G41 L71 Y72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.82Å; L12-W28 HydrophobicContact CB-CZ2 4.23Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CH2 4.41Å; L12-W28 HydrophobicContact CD1-CZ3 4.2Å; C14-W28 HydrophobicContact CB-CH2 4.01Å; C14-W28 HydrophobicContact CB-CZ2 4.06Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.23Å; W28-I40 WeakPolarHBondContact O-CB 3.49Å; W28-I40 PolarHBondContact O-N 3.18Å; W28-G41 PolarHBondContact N-O 2.62Å; W28-L71 HydrophobicContact CD2-CD2 4.38Å; W28-L71 HydrophobicContact CG-CD2 4.24Å; W28-L71 HydrophobicContact CZ2-CD2 4.42Å; W28-L71 VanDerWaalsContact NE1-CD2 3.25Å; W28-L71 VanDerWaalsContact NE1-CG 3.35Å; W28-Y72 PolarHBondContact NE1-O 2.99Å; W28-L73 HydrophobicContact CB-CD1 4.25Å; W28-L73 HydrophobicContact CB-CD2 4.4Å; W28-L73 HydrophobicContact CD2-CB 3.83Å; W28-L73 HydrophobicContact CD2-CD2 4.05Å; W28-L73 HydrophobicContact CD2-CG 4.38Å; W28-L73 HydrophobicContact CE3-CB 4.45Å; W28-L73 HydrophobicContact CE3-CD2 4.19Å; W28-L73 HydrophobicContact CG-CB 4.1Å; W28-L73 HydrophobicContact CG-CD1 3.96Å; W28-L73 HydrophobicContact CG-CD2 4.14Å; W28-L73 HydrophobicContact CG-CG 4.31Å; W28-L73 HydrophobicContact CZ2-CB 3.93Å; W28-Y87 CarbonylContact C-O 3.56Å; W28-Y87 WeakPolarHBondContact CA-O 3.48Å; W28-Y87 VanDerWaalsContact CE3-C 3.49Å; W28-C88 HydrophobicContact CE3-CB 4.46Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.35Å
29	V	97.8	Very high	92.8	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.8	178.7	-177.4	0	0	0	0	107.8	L37 E38 Y86 Y87 L96 W99	V29-L37 HydrophobicContact CG1-CB 3.93Å; V29-L37 HydrophobicContact CG1-CD2 4.07Å; V29-L37 HydrophobicContact CG1-CG 4.48Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 2.96Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.18Å; V29-Y87 PolarHBondContact N-O 3.06Å; V29-Y87 PolarHBondContact O-N 2.78Å; V29-L96 HydrophobicContact CG2-CD1 3.7Å; V29-W99 HydrophobicContact CB-CH2 4.12Å; V29-W99 HydrophobicContact CB-CZ3 3.78Å; V29-W99 HydrophobicContact CG1-CH2 4.01Å; V29-W99 HydrophobicContact CG1-CZ3 3.93Å; V29-W99 HydrophobicContact CG2-CH2 3.79Å; V29-W99 HydrophobicContact CG2-CZ3 3.82Å
30	R	97.1	Very high	94.1	Very high	28 Å²	28	57.4 Å²	57.4	11%	0.106	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.8	171.8	66.5	177.5	-171.2	173.8	1.4	112.5	E38 I40 D82 A84 L85 Y86	R30-E38 HydrophobicContact CG-CB 4.2Å; R30-E38 IonicContact CZ-OE2 2.74Å; R30-E38 PolarHBondContact N-O 2.83Å; R30-E38 IonicContact NE-OE2 2.65Å; R30-E38 PolarHBondContact NE-OE2 2.72Å; R30-E38 IonicContact NH2-OE1 2.72Å; R30-E38 IonicContact NH2-OE2 3.54Å; R30-E38 PolarHBondContact NH2-OE2 2.76Å; R30-E38 PolarHBondContact O-N 3.4Å; R30-I40 HydrophobicContact CB-CD1 4.05Å; R30-I40 HydrophobicContact CB-CG1 4.46Å; R30-I40 HydrophobicContact CG-CD1 4.09Å; R30-I40 HydrophobicContact CG-CG1 4.1Å; R30-D82 IonicContact NH1-OD1 3.37Å; R30-A84 HydrophobicContact CB-CB 4.07Å; R30-L85 CarbonylContact C-O 3.45Å; R30-L85 WeakPolarHBondContact CA-O 3.22Å; R30-Y86 HydrophobicContact CB-CD1 3.92Å; R30-Y86 HydrophobicContact CB-CE1 3.87Å; R30-Y86 HydrophobicContact CB-CG 4.32Å
31	Q	97.5	Very high	95.1	Very high	68 Å²	68	54.6 Å²	54.6	32%	0.318	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	104.9	173.1	-165.4	178.7	19.9	0	0	109.6	K35 L37 A84 L85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.25Å; Q31-K35 PolarHBondContact NE2-O 3.02Å; Q31-L37 HydrophobicContact CB-CD2 4.02Å; Q31-L37 HydrophobicContact CG-CD2 4.31Å; Q31-A84 VanDerWaalsContact O-CA 3.3Å; Q31-A84 WeakPolarHBondContact O-CA 3.18Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; Q31-L85 HydrophobicContact CB-CB 4.5Å; Q31-L85 PolarHBondContact N-O 2.77Å; Q31-L85 PolarHBondContact O-N 3.09Å; Q31-Y87 HydrophobicContact CB-CE2 4.11Å
32	A	95.7	Very high	95.5	Very high	27 Å²	27	55.6 Å²	55.6	22%	0.223	30%	0.301	C	S	.	.			trans	-73.5	152.5	172.4	0	0	0	0	0	110.6	G34 K35 A84	A32-G34 PolarHBondContact O-N 2.9Å; A32-K35 HydrophobicContact CB-CB 4.12Å; A32-K35 HydrophobicContact CB-CG 3.97Å; A32-K35 WeakPolarHBondContact O-CB 3.35Å; A32-K35 PolarHBondContact O-N 2.8Å; A32-A84 HydrophobicContact CB-CB 4.48Å
33	P	94.3	Very high	95.9	Very high	103 Å²	103	53.4 Å²	53.4	67%	0.669	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	127.4	176.4	-26.6	34.6	0	0	0	112.1	K35 T83	P33-K35 PolarHBondContact O-N 2.61Å; P33-T83 VanDerWaalsContact CD-O 3.26Å; P33-T83 WeakPolarHBondContact CD-O 3.49Å
34	G	95	Very high	96.2	Very high	88 Å²	88	47.1 Å²	47.1	91%	0.907	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	11.6	-179.2	0	0	0	0	0	115.3	A32	A32-G34 PolarHBondContact O-N 2.9Å
35	K	94.9	Very high	96.3	Very high	147 Å²	147	45 Å²	45	64%	0.639	26%	0.258	S	S	*	.			trans	-116.1	160.5	176.5	-58.8	-64.8	-175.5	178.1	0	111.5	Q31 A32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.25Å; Q31-K35 PolarHBondContact NE2-O 3.02Å; A32-K35 HydrophobicContact CB-CB 4.12Å; A32-K35 HydrophobicContact CB-CG 3.97Å; A32-K35 WeakPolarHBondContact O-CB 3.35Å; A32-K35 PolarHBondContact O-N 2.8Å; P33-K35 PolarHBondContact O-N 2.61Å
36	G	95.3	Very high	96.3	Very high	55 Å²	55	46.4 Å²	46.4	57%	0.567	27%	0.272	S	S	*	.			trans	-71.6	178.5	169.7	0	0	0	0	0	112.3	E38	G36-E38 PolarHBondContact O-N 2.83Å
37	L	95.9	Very high	96.3	Very high	102 Å²	102	48.3 Å²	48.3	53%	0.534	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.4	171.7	-64.8	174.9	0	0	0	110	V29 Q31 Y87 W99	V29-L37 HydrophobicContact CG1-CB 3.93Å; V29-L37 HydrophobicContact CG1-CD2 4.07Å; V29-L37 HydrophobicContact CG1-CG 4.48Å; Q31-L37 HydrophobicContact CB-CD2 4.02Å; Q31-L37 HydrophobicContact CG-CD2 4.31Å; L37-Y87 HydrophobicContact CD2-CE2 4.38Å; L37-W99 HydrophobicContact CD1-CH2 3.96Å; L37-W99 HydrophobicContact CD1-CZ3 4.46Å
38	E	96.4	Very high	96.3	Very high	66 Å²	66	52.4 Å²	52.4	31%	0.308	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.6	175.1	-175.4	-177.2	-160.6	0	0	108.8	V29 R30 G36 L56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 2.96Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; R30-E38 HydrophobicContact CG-CB 4.2Å; R30-E38 IonicContact CZ-OE2 2.74Å; R30-E38 PolarHBondContact N-O 2.83Å; R30-E38 IonicContact NE-OE2 2.65Å; R30-E38 PolarHBondContact NE-OE2 2.72Å; R30-E38 IonicContact NH2-OE1 2.72Å; R30-E38 IonicContact NH2-OE2 3.54Å; R30-E38 PolarHBondContact NH2-OE2 2.76Å; R30-E38 PolarHBondContact O-N 3.4Å; G36-E38 PolarHBondContact O-N 2.83Å; E38-L56 HydrophobicContact CG-CD1 4.32Å
39	W	96.9	Very high	96.3	Very high	82 Å²	82	54.9 Å²	54.9	31%	0.311	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.9	175.2	-178.5	83.1	0	0	0	110.1	S27 G41 E42 N51 T53	S27-W39 PolarHBondContact OG-NE1 2.85Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 VanDerWaalsContact CZ2-CA 3.48Å; W39-E42 HydrophobicContact CH2-CG 4.33Å; W39-E42 HydrophobicContact CZ2-CB 3.79Å; W39-E42 HydrophobicContact CZ2-CG 3.59Å; W39-N51 HydrophobicContact CH2-CB 3.83Å; W39-T53 VanDerWaalsContact CE3-OG1 3.32Å; W39-T53 WeakPolarHBondContact O-CB 3.39Å; W39-T53 PolarHBondContact O-OG1 2.65Å
40	I	97.3	Very high	96.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-47.3	-179.5	-60.3	-179.4	0	0	0	110.2	W28 R30 Y52 T53 L56 F60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.23Å; W28-I40 WeakPolarHBondContact O-CB 3.49Å; W28-I40 PolarHBondContact O-N 3.18Å; R30-I40 HydrophobicContact CB-CD1 4.05Å; R30-I40 HydrophobicContact CB-CG1 4.46Å; R30-I40 HydrophobicContact CG-CD1 4.09Å; R30-I40 HydrophobicContact CG-CG1 4.1Å; I40-Y52 WeakPolarHBondContact O-CA 3.38Å; I40-T53 PolarHBondContact O-N 3.28Å; I40-L56 HydrophobicContact CB-CD1 4.41Å; I40-L56 HydrophobicContact CG1-CD1 4.14Å; I40-L56 HydrophobicContact CG2-CD1 4.44Å; I40-F60 HydrophobicContact CD1-CE1 4.4Å; I40-F60 HydrophobicContact CG2-CB 3.93Å; I40-F60 HydrophobicContact CG2-CD1 4.47Å; I40-F60 HydrophobicContact CG2-CD2 3.97Å; I40-F60 HydrophobicContact CG2-CG 3.87Å; I40-L73 HydrophobicContact CD1-CD2 3.88Å; I40-L73 HydrophobicContact CG2-CD1 4.37Å; I40-Y86 HydrophobicContact CD1-CD1 3.82Å; I40-Y86 HydrophobicContact CD1-CE1 3.66Å
41	G	97.2	Very high	96.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	174.8	-173.1	0	0	0	0	0	111.8	S27 W28 W39 N51 I62	S27-G41 CarbonylContact C-O 3.43Å; S27-G41 VanDerWaalsContact CA-O 3.32Å; S27-G41 WeakPolarHBondContact CA-O 3.1Å; W28-G41 PolarHBondContact N-O 2.62Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 VanDerWaalsContact CZ2-CA 3.48Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.39Å; G41-I62 WeakPolarHBondContact O-CD1 3.44Å
42	E	97	Very high	96.2	Very high	29 Å²	29	58.5 Å²	58.5	14%	0.136	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	157.6	178.7	70.5	-177.1	165.4	0	0	112.2	W25 M26 S27 W39 I50 N51 T91	W25-E42 HydrophobicContact CE3-CB 4.27Å; W25-E42 HydrophobicContact CE3-CG 3.46Å; W25-E42 VanDerWaalsContact CE3-CG 3.46Å; W25-E42 HydrophobicContact CZ3-CG 3.65Å; M26-E42 CarbonylContact O-C 3.49Å; M26-E42 WeakPolarHBondContact O-CA 3.48Å; M26-E42 WeakPolarHBondContact O-CB 3.42Å; S27-E42 WeakPolarHBondContact OG-CB 3.49Å; W39-E42 HydrophobicContact CH2-CG 4.33Å; W39-E42 HydrophobicContact CZ2-CB 3.79Å; W39-E42 HydrophobicContact CZ2-CG 3.59Å; E42-I50 CarbonylContact O-C 3.58Å; E42-I50 VanDerWaalsContact O-CA 3.29Å; E42-I50 WeakPolarHBondContact O-CA 2.98Å; E42-I50 VanDerWaalsContact O-CG2 3.23Å; E42-I50 WeakPolarHBondContact O-CG2 3.44Å; E42-N51 HydrophobicContact CG-CB 4.11Å; E42-N51 PolarHBondContact N-O 2.86Å; E42-N51 PolarHBondContact O-N 2.9Å; E42-N51 PolarHBondContact OE1-ND2 2.85Å; E42-T91 WeakPolarHBondContact OE2-CB 3.42Å; E42-T91 VanDerWaalsContact OE2-CG2 3.22Å; E42-T91 WeakPolarHBondContact OE2-CG2 3.34Å; E42-T91 PolarHBondContact OE2-OG1 3.36Å
43	I	97.6	Very high	96.3	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136	179.4	-175.2	161.5	0	0	0	110.3	W25 M26 I50 I62 R64 L71	W25-I43 WeakPolarHBondContact CA-O 3.08Å; M26-I43 HydrophobicContact CB-CG2 4.3Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 2.01Å; I43-I50 HydrophobicContact CB-CG1 4.39Å; I43-I50 HydrophobicContact CD1-CD1 3.93Å; I43-I50 HydrophobicContact CD1-CG1 3.98Å; I43-I50 HydrophobicContact CG1-CD1 4.48Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I43-I62 HydrophobicContact CB-CG2 3.85Å; I43-I62 HydrophobicContact CD1-CG2 4.5Å; I43-I62 HydrophobicContact CG2-CG2 3.61Å; I43-R64 HydrophobicContact CD1-CG 3.95Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; I43-L71 HydrophobicContact CG2-CD1 3.53Å
44	N	95.9	Very high	96.2	Very high	13 Å²	13	59.4 Å²	59.4	7%	0.07	35%	0.354	C	S	.	.			trans	-76.5	167.4	179.2	78.6	-26.6	0	0	0	112.3	W25 D46 S47 S48 T49 R64	W25-N44 HydrophobicContact CD2-CB 3.63Å; W25-N44 HydrophobicContact CE3-CB 3.94Å; W25-N44 HydrophobicContact CG-CB 4.3Å; W25-N44 HydrophobicContact CH2-CB 3.8Å; W25-N44 HydrophobicContact CZ2-CB 3.43Å; W25-N44 VanDerWaalsContact CZ2-CB 3.43Å; W25-N44 HydrophobicContact CZ3-CB 4.02Å; N44-D46 VanDerWaalsContact C-N 3.35Å; N44-D46 PolarHBondContact ND2-OD1 2.88Å; N44-D46 PolarHBondContact O-N 3.29Å; N44-D46 PolarHBondContact OD1-OD1 2.84Å; N44-D46 VanDerWaalsContact OD1-OD1 3.11Å; N44-S47 PolarHBondContact O-N 3.03Å; N44-S47 VanDerWaalsContact OD1-C 3.31Å; N44-S47 VanDerWaalsContact OD1-CA 3.25Å; N44-S47 WeakPolarHBondContact OD1-CA 3.43Å; N44-S47 PolarHBondContact OD1-N 2.74Å; N44-S48 PolarHBondContact ND2-OG 3.45Å; N44-S48 PolarHBondContact OD1-N 3.16Å; N44-T49 PolarHBondContact N-O 2.78Å; N44-T49 VanDerWaalsContact N-O 3.09Å; N44-T49 PolarHBondContact OD1-N 2.81Å; N44-T49 PolarHBondContact OD1-O 3.07Å; N44-T49 VanDerWaalsContact OD1-O 3.13Å; N44-R64 WeakPolarHBondContact O-CD 3.31Å; N44-R64 PolarHBondContact O-NH1 3.04Å
45	P	95.3	Very high	96.1	Very high	35 Å²	35	59.8 Å²	59.8	23%	0.227	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-43.5	-177.4	-36.5	41.6	0	0	0	116.4	S22 R23 R64 N66	S22-P45 WeakPolarHBondContact O-CB 3.03Å; R23-P45 WeakPolarHBondContact O-CG 3.19Å; P45-R64 VanDerWaalsContact CA-NH1 3.31Å; P45-N66 PolarHBondContact O-ND2 2.94Å
46	D	94.9	Very high	95.9	Very high	110 Å²	110	53.3 Å²	53.3	59%	0.588	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	2.6	-176	67.2	10.4	0	0	0	113.6	N44 S48	N44-D46 VanDerWaalsContact C-N 3.35Å; N44-D46 PolarHBondContact ND2-OD1 2.88Å; N44-D46 PolarHBondContact O-N 3.29Å; N44-D46 PolarHBondContact OD1-OD1 2.84Å; N44-D46 VanDerWaalsContact OD1-OD1 3.11Å; D46-S48 PolarHBondContact O-N 2.86Å; D46-S48 VanDerWaalsContact OD1-CB 3.23Å; D46-S48 WeakPolarHBondContact OD1-CB 3.39Å; D46-S48 PolarHBondContact OD1-N 3.44Å; D46-S48 PolarHBondContact OD1-OG 2.89Å; D46-S48 PolarHBondContact OD2-OG 3.24Å
47	S	96.2	Very high	95.6	Very high	53 Å²	53	56.7 Å²	56.7	37%	0.371	31%	0.314	S	S	.	.	S	Bend	trans	63.4	10.8	-178	-45.4	0	0	0	0	115.5	N44 T49 R64	N44-S47 PolarHBondContact O-N 3.03Å; N44-S47 VanDerWaalsContact OD1-C 3.31Å; N44-S47 VanDerWaalsContact OD1-CA 3.25Å; N44-S47 WeakPolarHBondContact OD1-CA 3.43Å; N44-S47 PolarHBondContact OD1-N 2.74Å; S47-T49 VanDerWaalsContact C-N 3.31Å; S47-R64 WeakPolarHBondContact OG-CD 3.32Å; S47-R64 WeakPolarHBondContact OG-CG 3.37Å
48	S	96.8	Very high	95.4	Very high	86 Å²	86	59.5 Å²	59.5	60%	0.601	33%	0.33	S	S	*	.	S	Bend	trans	-73.3	-23.5	177.4	63.5	0	0	0	0	113.2	N44 D46	N44-S48 PolarHBondContact ND2-OG 3.45Å; N44-S48 PolarHBondContact OD1-N 3.16Å; D46-S48 PolarHBondContact O-N 2.86Å; D46-S48 VanDerWaalsContact OD1-CB 3.23Å; D46-S48 WeakPolarHBondContact OD1-CB 3.39Å; D46-S48 PolarHBondContact OD1-N 3.44Å; D46-S48 PolarHBondContact OD1-OG 2.89Å; D46-S48 PolarHBondContact OD2-OG 3.24Å
49	T	97.2	Very high	95.1	Very high	56 Å²	56	58.1 Å²	58.1	34%	0.344	32%	0.323	S	S	.	.			trans	-128.5	131.4	-178	-55.8	0	0	0	0	110.8	W25 N44 S47	W25-T49 HydrophobicContact CH2-CG2 3.88Å; W25-T49 HydrophobicContact CZ3-CG2 4.47Å; N44-T49 PolarHBondContact N-O 2.78Å; N44-T49 VanDerWaalsContact N-O 3.09Å; N44-T49 PolarHBondContact OD1-N 2.81Å; N44-T49 PolarHBondContact OD1-O 3.07Å; N44-T49 VanDerWaalsContact OD1-O 3.13Å; S47-T49 VanDerWaalsContact C-N 3.31Å
50	I	97.6	Very high	95	Very high	62 Å²	62	54.3 Å²	54.3	32%	0.318	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	121.9	173.1	-45.2	178.6	0	0	0	108.8	E42 I43 Y52 I62	E42-I50 CarbonylContact O-C 3.58Å; E42-I50 VanDerWaalsContact O-CA 3.29Å; E42-I50 WeakPolarHBondContact O-CA 2.98Å; E42-I50 VanDerWaalsContact O-CG2 3.23Å; E42-I50 WeakPolarHBondContact O-CG2 3.44Å; I43-I50 HydrophobicContact CB-CG1 4.39Å; I43-I50 HydrophobicContact CD1-CD1 3.93Å; I43-I50 HydrophobicContact CD1-CG1 3.98Å; I43-I50 HydrophobicContact CG1-CD1 4.48Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I50-Y52 HydrophobicContact CB-CE2 3.88Å; I50-Y52 HydrophobicContact CG2-CD2 3.99Å; I50-Y52 HydrophobicContact CG2-CE1 4.35Å; I50-Y52 HydrophobicContact CG2-CE2 3.26Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; I50-I62 HydrophobicContact CG2-CB 4.21Å; I50-I62 HydrophobicContact CG2-CD1 4.45Å
51	N	96.8	Very high	95	Very high	69 Å²	69	58.3 Å²	58.3	37%	0.369	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	145.8	174.2	-61.5	-38.1	0	0	0	109.3	W25 W39 G41 E42	W25-N51 WeakPolarHBondContact CZ3-ND2 3.36Å; W39-N51 HydrophobicContact CH2-CB 3.83Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.39Å; E42-N51 HydrophobicContact CG-CB 4.11Å; E42-N51 PolarHBondContact N-O 2.86Å; E42-N51 PolarHBondContact O-N 2.9Å; E42-N51 PolarHBondContact OE1-ND2 2.85Å
52	Y	97.3	Very high	95	Very high	43 Å²	43	58.5 Å²	58.5	17%	0.169	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.5	179.4	-70.6	-87	0	0	0	110.7	I40 I50 K57 F60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.38Å; I50-Y52 HydrophobicContact CB-CE2 3.88Å; I50-Y52 HydrophobicContact CG2-CD2 3.99Å; I50-Y52 HydrophobicContact CG2-CE1 4.35Å; I50-Y52 HydrophobicContact CG2-CE2 3.26Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; Y52-K57 HydrophobicContact CD2-CG 3.95Å; Y52-K57 HydrophobicContact CG-CB 4.15Å; Y52-K57 HydrophobicContact CG-CG 4.07Å; Y52-F60 VanDerWaalsContact CE1-O 3.31Å; Y52-F60 WeakPolarHBondContact CE1-O 3.38Å; Y52-I62 HydrophobicContact CD1-CD1 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 3.84Å; Y52-I62 HydrophobicContact CE1-CG1 3.86Å; Y52-I62 PolarHBondContact OH-N 2.86Å
53	T	96	Very high	95.1	Very high	32 Å²	32	58.9 Å²	58.9	20%	0.196	34%	0.336	C	S	.	.			trans	-63.1	125.5	157.1	-68.2	0	0	0	0	108.4	W39 I40 S55 L56 K57	W39-T53 VanDerWaalsContact CE3-OG1 3.32Å; W39-T53 WeakPolarHBondContact O-CB 3.39Å; W39-T53 PolarHBondContact O-OG1 2.65Å; I40-T53 PolarHBondContact O-N 3.28Å; T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.39Å; T53-S55 PolarHBondContact O-N 3.12Å; T53-S55 VanDerWaalsContact O-N 3.12Å; T53-L56 HydrophobicContact CG2-CD1 4.36Å; T53-L56 HydrophobicContact CG2-CG 4.24Å; T53-L56 PolarHBondContact O-N 3.24Å; T53-K57 PolarHBondContact O-N 2.91Å
54	P	94.1	Very high	95	Very high	117 Å²	117	60 Å²	60	76%	0.76	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.4	-171.8	-30.8	35.8	0	0	0	114.7	L56	P54-L56 PolarHBondContact O-N 2.9Å
55	S	91.3	Very high	95	Very high	97 Å²	97	61.3 Å²	61.3	68%	0.678	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.2	179.3	54.8	0	0	0	0	114.5	T53	T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.39Å; T53-S55 PolarHBondContact O-N 3.12Å; T53-S55 VanDerWaalsContact O-N 3.12Å
56	L	91.1	Very high	94.9	Very high	11 Å²	11	62.5 Å²	62.5	6%	0.058	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-13.5	-173.9	-58.6	-176.1	0	0	0	113	E38 I40 T53 P54 D58 K59 F60	E38-L56 HydrophobicContact CG-CD1 4.32Å; I40-L56 HydrophobicContact CB-CD1 4.41Å; I40-L56 HydrophobicContact CG1-CD1 4.14Å; I40-L56 HydrophobicContact CG2-CD1 4.44Å; T53-L56 HydrophobicContact CG2-CD1 4.36Å; T53-L56 HydrophobicContact CG2-CG 4.24Å; T53-L56 PolarHBondContact O-N 3.24Å; P54-L56 PolarHBondContact O-N 2.9Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.19Å; L56-K59 PolarHBondContact O-N 3.08Å; L56-K59 VanDerWaalsContact O-N 3.08Å; L56-F60 HydrophobicContact CB-CD2 3.88Å; L56-F60 HydrophobicContact CB-CE2 4.2Å; L56-F60 HydrophobicContact CD2-CE2 4.09Å; L56-F60 WeakPolarHBondContact O-CD2 3.38Å; L56-F60 PolarHBondContact O-N 3.38Å
57	K	89.7	Confident	94.8	Very high	126 Å²	126	61.9 Å²	61.9	55%	0.548	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-39.4	-173.9	-176.9	-179.4	176	-175.9	0	114.1	Y52 T53 K59	Y52-K57 HydrophobicContact CD2-CG 3.95Å; Y52-K57 HydrophobicContact CG-CB 4.15Å; Y52-K57 HydrophobicContact CG-CG 4.07Å; T53-K57 PolarHBondContact O-N 2.91Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 3.29Å
58	D	90.8	Very high	94.7	Very high	161 Å²	161	65.7 Å²	65.7	86%	0.861	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.6	-174.8	-61.7	-30.2	0	0	0	113.6	L56	L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.19Å
59	K	91.4	Very high	94.6	Very high	37 Å²	37	63.8 Å²	63.8	16%	0.161	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-31.8	-174	-168.5	169.3	-163.2	173.4	0	113.5	L56 K57 S76 D82	L56-K59 PolarHBondContact O-N 3.08Å; L56-K59 VanDerWaalsContact O-N 3.08Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 3.29Å; K59-S76 PolarHBondContact O-N 3.11Å; K59-D82 WeakPolarHBondContact CE-OD1 3.49Å; K59-D82 WeakPolarHBondContact CE-OD2 3.5Å; K59-D82 IonicContact NZ-OD1 3.48Å; K59-D82 PolarHBondContact NZ-OD1 2.82Å; K59-D82 IonicContact NZ-OD2 3.56Å; K59-D82 PolarHBondContact NZ-OD2 3.16Å
60	F	94.9	Very high	94.5	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.9	-173.1	-64.1	-81.2	0	0	0	110.7	I40 Y52 L56 L73 Q74 M75 Y86	I40-F60 HydrophobicContact CD1-CE1 4.4Å; I40-F60 HydrophobicContact CG2-CB 3.93Å; I40-F60 HydrophobicContact CG2-CD1 4.47Å; I40-F60 HydrophobicContact CG2-CD2 3.97Å; I40-F60 HydrophobicContact CG2-CG 3.87Å; Y52-F60 VanDerWaalsContact CE1-O 3.31Å; Y52-F60 WeakPolarHBondContact CE1-O 3.38Å; L56-F60 HydrophobicContact CB-CD2 3.88Å; L56-F60 HydrophobicContact CB-CE2 4.2Å; L56-F60 HydrophobicContact CD2-CE2 4.09Å; L56-F60 WeakPolarHBondContact O-CD2 3.38Å; L56-F60 PolarHBondContact O-N 3.38Å; F60-L73 HydrophobicContact CB-CD1 3.89Å; F60-L73 HydrophobicContact CD1-CD1 3.92Å; F60-L73 HydrophobicContact CD1-CD2 3.73Å; F60-L73 HydrophobicContact CD1-CG 3.83Å; F60-L73 HydrophobicContact CE1-CD2 4.06Å; F60-L73 HydrophobicContact CG-CD1 4.28Å; F60-Q74 CarbonylContact C-O 3.59Å; F60-Q74 WeakPolarHBondContact CA-O 3.4Å; F60-M75 HydrophobicContact CD1-CB 4.46Å; F60-M75 HydrophobicContact CD1-CG 3.69Å; F60-M75 HydrophobicContact CE1-CB 4.37Å; F60-M75 HydrophobicContact CE1-CE 3.75Å; F60-M75 HydrophobicContact CE1-CG 3.6Å; F60-M75 HydrophobicContact CE1-SD 3.98Å; F60-M75 HydrophobicContact CZ-CE 4.34Å; F60-Y86 AromaticContact CE1-CE1 3.8Å; F60-Y86 HydrophobicContact CE1-CE1 3.8Å; F60-Y86 HydrophobicContact CZ-CE1 4.22Å
61	I	96.6	Very high	94.5	Very high	85 Å²	85	58.8 Å²	58.8	44%	0.436	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.8	172.2	-57.5	172.1	0	0	0	107.9	Q74	I61-Q74 HydrophobicContact CB-CB 4.22Å; I61-Q74 PolarHBondContact N-O 2.83Å; I61-Q74 PolarHBondContact O-N 2.96Å
62	I	97.8	Very high	94.5	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.1	174.5	-58.4	172.5	0	0	0	108.7	G41 I43 I50 Y52 L71 Y72 L73	G41-I62 WeakPolarHBondContact O-CD1 3.44Å; I43-I62 HydrophobicContact CB-CG2 3.85Å; I43-I62 HydrophobicContact CD1-CG2 4.5Å; I43-I62 HydrophobicContact CG2-CG2 3.61Å; I50-I62 HydrophobicContact CG2-CB 4.21Å; I50-I62 HydrophobicContact CG2-CD1 4.45Å; Y52-I62 HydrophobicContact CD1-CD1 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 3.84Å; Y52-I62 HydrophobicContact CE1-CG1 3.86Å; Y52-I62 PolarHBondContact OH-N 2.86Å; I62-L71 HydrophobicContact CG2-CD1 4.01Å; I62-Y72 WeakPolarHBondContact CA-O 3.21Å; I62-L73 HydrophobicContact CG1-CD1 3.7Å
63	S	97.6	Very high	94.6	Very high	38 Å²	38	55.4 Å²	55.4	27%	0.266	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.9	172.1	52.5	0	0	0	0	110.4	Y72	S63-Y72 PolarHBondContact N-O 2.89Å; S63-Y72 VanDerWaalsContact N-O 3.09Å; S63-Y72 PolarHBondContact O-N 3.34Å
64	R	96.5	Very high	94.6	Very high	25 Å²	25	57.5 Å²	57.5	9%	0.094	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.8	-178.6	62.1	-173.9	-65.4	157.9	4.6	111.4	F21 Y24 I43 N44 P45 S47 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.24Å; F21-R64 HydrophobicContact CZ-CB 4.09Å; F21-R64 PolarHBondContact O-NH2 2.84Å; Y24-R64 PolarHBondContact O-NH1 2.86Å; I43-R64 HydrophobicContact CD1-CG 3.95Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; N44-R64 WeakPolarHBondContact O-CD 3.31Å; N44-R64 PolarHBondContact O-NH1 3.04Å; P45-R64 VanDerWaalsContact CA-NH1 3.31Å; S47-R64 WeakPolarHBondContact OG-CD 3.32Å; S47-R64 WeakPolarHBondContact OG-CG 3.37Å; R64-N66 VanDerWaalsContact CZ-OD1 3.24Å; R64-N66 PolarHBondContact NE-OD1 2.8Å; R64-N66 PolarHBondContact NH2-OD1 2.78Å; R64-T70 CarbonylContact C-O 3.58Å; R64-T70 WeakPolarHBondContact CA-O 3.34Å; R64-L71 HydrophobicContact CB-CD1 4.12Å
65	D	95.4	Very high	94.6	Very high	40 Å²	40	52 Å²	52	21%	0.214	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	104.2	171.1	-177.4	-24.2	0	0	0	108	A67 K68 N69 T70 Y72	D65-A67 VanDerWaalsContact C-N 3.33Å; D65-A67 WeakPolarHBondContact OD1-CB 3.49Å; D65-A67 PolarHBondContact OD1-N 3.48Å; D65-K68 HydrophobicContact CB-CB 4.27Å; D65-K68 CarbonylContact O-C 3.58Å; D65-K68 PolarHBondContact O-N 2.77Å; D65-K68 PolarHBondContact OD1-N 3.25Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CD 3.4Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 2.97Å; D65-K68 WeakPolarHBondContact OD2-CG 3.4Å; D65-K68 IonicContact OD2-NZ 3.93Å; D65-K68 PolarHBondContact OD2-NZ 3.35Å; D65-N69 PolarHBondContact O-N 2.79Å; D65-T70 PolarHBondContact N-O 2.97Å; D65-T70 PolarHBondContact O-N 2.91Å; D65-Y72 HydrophobicContact CB-CE2 3.83Å
66	N	94	Very high	94.5	Very high	60 Å²	60	49.3 Å²	49.3	32%	0.321	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-27.4	-177.2	-73.2	-17.9	0	0	0	112.5	F21 P45 R64 K68 N69	F21-N66 WeakPolarHBondContact CE1-OD1 3.36Å; P45-N66 PolarHBondContact O-ND2 2.94Å; R64-N66 VanDerWaalsContact CZ-OD1 3.24Å; R64-N66 PolarHBondContact NE-OD1 2.8Å; R64-N66 PolarHBondContact NH2-OD1 2.78Å; N66-K68 VanDerWaalsContact C-N 3.27Å; N66-K68 PolarHBondContact O-N 3.09Å; N66-N69 PolarHBondContact O-N 2.9Å; N66-N69 PolarHBondContact O-OD1 3.02Å
67	A	92.5	Very high	94.4	Very high	98 Å²	98	56.5 Å²	56.5	81%	0.81	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.5	176.5	0	0	0	0	0	111.3	D65	D65-A67 VanDerWaalsContact C-N 3.33Å; D65-A67 WeakPolarHBondContact OD1-CB 3.49Å; D65-A67 PolarHBondContact OD1-N 3.48Å
68	K	93.6	Very high	94.5	Very high	132 Å²	132	50.5 Å²	50.5	57%	0.574	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	2.7	177	-60.9	-177.5	-166.1	128.8	0	114.1	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.27Å; D65-K68 CarbonylContact O-C 3.58Å; D65-K68 PolarHBondContact O-N 2.77Å; D65-K68 PolarHBondContact OD1-N 3.25Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CD 3.4Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 2.97Å; D65-K68 WeakPolarHBondContact OD2-CG 3.4Å; D65-K68 IonicContact OD2-NZ 3.93Å; D65-K68 PolarHBondContact OD2-NZ 3.35Å; N66-K68 VanDerWaalsContact C-N 3.27Å; N66-K68 PolarHBondContact O-N 3.09Å; K68-T70 PolarHBondContact O-N 2.86Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 2.83Å
69	N	94	Very high	94.5	Very high	46 Å²	46	48.9 Å²	48.9	25%	0.246	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	41	-171.3	-63.7	-40.3	0	0	0	113.2	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 3.16Å; F21-N69 HydrophobicContact CB-CB 4Å; F21-N69 HydrophobicContact CD1-CB 4.18Å; F21-N69 HydrophobicContact CG-CB 4.09Å; D65-N69 PolarHBondContact O-N 2.79Å; N66-N69 PolarHBondContact O-N 2.9Å; N66-N69 PolarHBondContact O-OD1 3.02Å
70	T	96.1	Very high	94.5	Very high	14 Å²	14	50.4 Å²	50.4	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.1	-171.5	-57.2	0	0	0	0	111.6	C14 F21 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.3Å; F21-T70 WeakPolarHBondContact CZ-O 3.43Å; R64-T70 CarbonylContact C-O 3.58Å; R64-T70 WeakPolarHBondContact CA-O 3.34Å; D65-T70 PolarHBondContact N-O 2.97Å; D65-T70 PolarHBondContact O-N 2.91Å; K68-T70 PolarHBondContact O-N 2.86Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 2.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.08Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.46Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.46Å; T70-Y72 HydrophobicContact CG2-CE2 3.9Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.01Å
71	L	97.3	Very high	94.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.7	170	-170.9	70.9	0	0	0	109.8	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.43Å; S13-L71 WeakPolarHBondContact CA-O 3.34Å; C14-L71 HydrophobicContact CB-CB 4.4Å; C14-L71 PolarHBondContact N-O 3.3Å; C14-L71 PolarHBondContact O-N 3.01Å; F21-L71 HydrophobicContact CE2-CB 4Å; F21-L71 HydrophobicContact CZ-CB 4.06Å; M26-L71 HydrophobicContact CB-CD1 3.77Å; M26-L71 HydrophobicContact CB-CD2 3.9Å; M26-L71 HydrophobicContact CB-CG 4.36Å; W28-L71 HydrophobicContact CD2-CD2 4.38Å; W28-L71 HydrophobicContact CG-CD2 4.24Å; W28-L71 HydrophobicContact CZ2-CD2 4.42Å; W28-L71 VanDerWaalsContact NE1-CD2 3.25Å; W28-L71 VanDerWaalsContact NE1-CG 3.35Å; I43-L71 HydrophobicContact CG2-CD1 3.53Å; I62-L71 HydrophobicContact CG2-CD1 4.01Å; R64-L71 HydrophobicContact CB-CD1 4.12Å; L71-C88 HydrophobicContact CD2-CB 4Å
72	Y	97.6	Very high	94.1	Very high	40 Å²	40	52.2 Å²	52.2	16%	0.157	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.5	178.9	-56.8	-77.3	0	0	0	111.8	K11 L12 W28 I62 S63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.43Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 VanDerWaalsContact CE-CG 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.43Å; L12-Y72 WeakPolarHBondContact O-CA 3.29Å; W28-Y72 PolarHBondContact NE1-O 2.99Å; I62-Y72 WeakPolarHBondContact CA-O 3.21Å; S63-Y72 PolarHBondContact N-O 2.89Å; S63-Y72 VanDerWaalsContact N-O 3.09Å; S63-Y72 PolarHBondContact O-N 3.34Å; D65-Y72 HydrophobicContact CB-CE2 3.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.08Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.46Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.46Å; T70-Y72 HydrophobicContact CG2-CE2 3.9Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.01Å
73	L	97.9	Very high	93.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	111.5	168.3	-170.6	69.3	0	0	0	108.4	K11 L12 W28 I40 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.53Å; K11-L73 WeakPolarHBondContact CA-O 3.42Å; L12-L73 HydrophobicContact CB-CB 4.22Å; L12-L73 HydrophobicContact CD1-CD2 4.26Å; L12-L73 PolarHBondContact N-O 2.79Å; L12-L73 PolarHBondContact O-N 3.06Å; W28-L73 HydrophobicContact CB-CD1 4.25Å; W28-L73 HydrophobicContact CB-CD2 4.4Å; W28-L73 HydrophobicContact CD2-CB 3.83Å; W28-L73 HydrophobicContact CD2-CD2 4.05Å; W28-L73 HydrophobicContact CD2-CG 4.38Å; W28-L73 HydrophobicContact CE3-CB 4.45Å; W28-L73 HydrophobicContact CE3-CD2 4.19Å; W28-L73 HydrophobicContact CG-CB 4.1Å; W28-L73 HydrophobicContact CG-CD1 3.96Å; W28-L73 HydrophobicContact CG-CD2 4.14Å; W28-L73 HydrophobicContact CG-CG 4.31Å; W28-L73 HydrophobicContact CZ2-CB 3.93Å; I40-L73 HydrophobicContact CD1-CD2 3.88Å; I40-L73 HydrophobicContact CG2-CD1 4.37Å; F60-L73 HydrophobicContact CB-CD1 3.89Å; F60-L73 HydrophobicContact CD1-CD1 3.92Å; F60-L73 HydrophobicContact CD1-CD2 3.73Å; F60-L73 HydrophobicContact CD1-CG 3.83Å; F60-L73 HydrophobicContact CE1-CD2 4.06Å; F60-L73 HydrophobicContact CG-CD1 4.28Å; I62-L73 HydrophobicContact CG1-CD1 3.7Å; L73-M75 HydrophobicContact CD2-CG 4.36Å; L73-M75 HydrophobicContact CD2-SD 4.46Å; L73-M75 HydrophobicContact CG-CG 4.3Å; L73-Y86 HydrophobicContact CD2-CD1 3.66Å; L73-Y86 HydrophobicContact CD2-CE1 3.88Å
74	Q	96.4	Very high	93.9	Very high	76 Å²	76	52.2 Å²	52.2	36%	0.355	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128	172	178	168.8	-18.3	0	0	109.5	L10 F60 I61	L10-Q74 WeakPolarHBondContact O-CA 2.76Å; F60-Q74 CarbonylContact C-O 3.59Å; F60-Q74 WeakPolarHBondContact CA-O 3.4Å; I61-Q74 HydrophobicContact CB-CB 4.22Å; I61-Q74 PolarHBondContact N-O 2.83Å; I61-Q74 PolarHBondContact O-N 2.96Å
75	M	94.1	Very high	93.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.4	-177.7	-53.7	175.8	51.9	0	0	107.5	S9 L10 L12 F60 L73 V78 D82 Y86 V105	S9-M75 CarbonylContact C-O 3.59Å; S9-M75 WeakPolarHBondContact CA-O 3.48Å; S9-M75 WeakPolarHBondContact CB-O 3Å; L10-M75 HydrophobicContact CB-CB 4.42Å; L10-M75 HydrophobicContact CD2-SD 4.34Å; L10-M75 PolarHBondContact N-O 3.21Å; L10-M75 PolarHBondContact O-N 2.95Å; L12-M75 HydrophobicContact CD1-SD 4.12Å; L12-M75 HydrophobicContact CG-SD 4.32Å; F60-M75 HydrophobicContact CD1-CB 4.46Å; F60-M75 HydrophobicContact CD1-CG 3.69Å; F60-M75 HydrophobicContact CE1-CB 4.37Å; F60-M75 HydrophobicContact CE1-CE 3.75Å; F60-M75 HydrophobicContact CE1-CG 3.6Å; F60-M75 HydrophobicContact CE1-SD 3.98Å; F60-M75 HydrophobicContact CZ-CE 4.34Å; L73-M75 HydrophobicContact CD2-CG 4.36Å; L73-M75 HydrophobicContact CD2-SD 4.46Å; L73-M75 HydrophobicContact CG-CG 4.3Å; M75-V78 HydrophobicContact CB-CG2 3.9Å; M75-V78 HydrophobicContact CE-CG1 4.43Å; M75-V78 HydrophobicContact CE-CG2 4.19Å; M75-D82 HydrophobicContact CE-CB 3.94Å; M75-Y86 HydrophobicContact CE-CE1 4.2Å; M75-Y86 HydrophobicContact CE-CE2 4.24Å; M75-Y86 VanDerWaalsContact CE-OH 3.25Å; M75-Y86 WeakPolarHBondContact CE-OH 3.23Å; M75-Y86 HydrophobicContact SD-CE1 4.14Å; M75-V105 HydrophobicContact CE-CG1 4.33Å
76	S	89.9	Confident	94	Very high	42 Å²	42	52.4 Å²	52.4	29%	0.294	27%	0.272	S	S	.	.			trans	-111.5	145.6	177.1	-56.3	0	0	0	0	110.7	K59 V78	K59-S76 PolarHBondContact O-N 3.11Å; S76-V78 PolarHBondContact O-N 2.96Å
77	K	88.9	Confident	94.2	Very high	162 Å²	162	51.4 Å²	51.4	70%	0.704	26%	0.264	S	S	*	.	S	Bend	trans	53	53.1	178.4	-55.9	176.8	-179.8	175.9	0	111.5	G8 R79	G8-K77 PolarHBondContact O-N 3.33Å; K77-R79 WeakPolarHBondContact O-CG 3.41Å; K77-R79 PolarHBondContact O-N 3.36Å
78	V	91	Very high	94.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.229	C	C	.	.			trans	-58	131.7	-178.5	-178.2	0	0	0	0	109.7	V4 P6 G7 G8 L10 M75 S76 D82 A107	V4-V78 HydrophobicContact CG1-CB 4.42Å; V4-V78 HydrophobicContact CG1-CG2 4.48Å; P6-V78 WeakPolarHBondContact CA-O 3.3Å; G7-V78 PolarHBondContact N-O 2.65Å; G8-V78 WeakPolarHBondContact O-CG2 3.49Å; G8-V78 PolarHBondContact O-N 2.83Å; L10-V78 HydrophobicContact CB-CG2 4.32Å; M75-V78 HydrophobicContact CB-CG2 3.9Å; M75-V78 HydrophobicContact CE-CG1 4.43Å; M75-V78 HydrophobicContact CE-CG2 4.19Å; S76-V78 PolarHBondContact O-N 2.96Å; V78-D82 WeakPolarHBondContact CA-OD2 3.38Å; V78-D82 HydrophobicContact CG1-CB 4.06Å; V78-A107 HydrophobicContact CG1-CB 3.79Å
79	R	91.3	Very high	94.4	Very high	127 Å²	127	41 Å²	41	48%	0.479	20%	0.202	S	C	.	.			trans	-122.3	169.3	179.2	-56.3	-171.3	-61.7	-146.2	-0.7	110.2	K77 E81 D82 A107	K77-R79 WeakPolarHBondContact O-CG 3.41Å; K77-R79 PolarHBondContact O-N 3.36Å; R79-E81 IonicContact CZ-OE2 2.72Å; R79-E81 IonicContact NE-OE1 2.76Å; R79-E81 IonicContact NE-OE2 3.17Å; R79-E81 PolarHBondContact NE-OE2 3.41Å; R79-E81 IonicContact NH2-OE1 3.64Å; R79-E81 IonicContact NH2-OE2 2.61Å; R79-E81 PolarHBondContact NH2-OE2 2.68Å; R79-E81 PolarHBondContact O-N 2.88Å; R79-E81 VanDerWaalsContact O-N 3.16Å; R79-D82 PolarHBondContact N-OD2 3.39Å; R79-D82 WeakPolarHBondContact O-CB 3.22Å; R79-D82 PolarHBondContact O-N 2.82Å; R79-A107 WeakPolarHBondContact O-CB 3.41Å
80	S	90.4	Very high	94.4	Very high	69 Å²	69	40.9 Å²	40.9	48%	0.483	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-52.9	-35.8	174.7	53.3	0	0	0	0	113	D82 T83	S80-D82 PolarHBondContact O-N 3.14Å; S80-T83 WeakPolarHBondContact O-CB 3.4Å; S80-T83 PolarHBondContact O-N 2.75Å; S80-T83 PolarHBondContact O-OG1 3.04Å
81	E	90.6	Very high	94.1	Very high	122 Å²	122	41.6 Å²	41.6	57%	0.57	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-59.5	-20.2	174.5	-63.6	162.4	-154.7	0	0	114.6	R79 T83	R79-E81 IonicContact CZ-OE2 2.72Å; R79-E81 IonicContact NE-OE1 2.76Å; R79-E81 IonicContact NE-OE2 3.17Å; R79-E81 PolarHBondContact NE-OE2 3.41Å; R79-E81 IonicContact NH2-OE1 3.64Å; R79-E81 IonicContact NH2-OE2 2.61Å; R79-E81 PolarHBondContact NH2-OE2 2.68Å; R79-E81 PolarHBondContact O-N 2.88Å; R79-E81 VanDerWaalsContact O-N 3.16Å; E81-T83 VanDerWaalsContact C-N 3.29Å
82	D	92.8	Very high	93.5	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.011	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-88.6	0.6	176.8	-56.7	-51.7	0	0	0	112.7	R30 K59 M75 V78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.37Å; K59-D82 WeakPolarHBondContact CE-OD1 3.49Å; K59-D82 WeakPolarHBondContact CE-OD2 3.5Å; K59-D82 IonicContact NZ-OD1 3.48Å; K59-D82 PolarHBondContact NZ-OD1 2.82Å; K59-D82 IonicContact NZ-OD2 3.56Å; K59-D82 PolarHBondContact NZ-OD2 3.16Å; M75-D82 HydrophobicContact CE-CB 3.94Å; V78-D82 WeakPolarHBondContact CA-OD2 3.38Å; V78-D82 HydrophobicContact CG1-CB 4.06Å; R79-D82 PolarHBondContact N-OD2 3.39Å; R79-D82 WeakPolarHBondContact O-CB 3.22Å; R79-D82 PolarHBondContact O-N 2.82Å; S80-D82 PolarHBondContact O-N 3.14Å; D82-A84 PolarHBondContact O-N 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.29Å; D82-Y86 PolarHBondContact O-OH 3.13Å
83	T	94.6	Very high	92.5	Very high	36 Å²	36	51.2 Å²	51.2	22%	0.221	25%	0.245	C	C	.	.			trans	-65.4	111.1	176.2	-62.9	0	0	0	0	109.3	P33 S80 E81 V105 T106 A107	P33-T83 VanDerWaalsContact CD-O 3.26Å; P33-T83 WeakPolarHBondContact CD-O 3.49Å; S80-T83 WeakPolarHBondContact O-CB 3.4Å; S80-T83 PolarHBondContact O-N 2.75Å; S80-T83 PolarHBondContact O-OG1 3.04Å; E81-T83 VanDerWaalsContact C-N 3.29Å; T83-V105 WeakPolarHBondContact CA-O 3.48Å; T83-T106 HydrophobicContact CG2-CG2 4.35Å; T83-A107 PolarHBondContact OG1-N 2.9Å
84	A	96.3	Very high	91.8	Very high	5 Å²	5	62.3 Å²	62.3	4%	0.041	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	166.5	-174.9	0	0	0	0	0	111.3	R30 Q31 A32 D82 Y86 V105	R30-A84 HydrophobicContact CB-CB 4.07Å; Q31-A84 VanDerWaalsContact O-CA 3.3Å; Q31-A84 WeakPolarHBondContact O-CA 3.18Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; A32-A84 HydrophobicContact CB-CB 4.48Å; D82-A84 PolarHBondContact O-N 3.3Å; A84-Y86 HydrophobicContact CB-CD2 4.2Å; A84-Y86 HydrophobicContact CB-CE2 3.72Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å; A84-V105 PolarHBondContact N-O 3Å; A84-V105 PolarHBondContact O-N 3.2Å
85	L	97.5	Very high	91.3	Very high	67 Å²	67	61.4 Å²	61.4	35%	0.351	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.2	158.8	-74.4	165.1	0	0	0	109	R30 Q31 Y87	R30-L85 CarbonylContact C-O 3.45Å; R30-L85 WeakPolarHBondContact CA-O 3.22Å; Q31-L85 HydrophobicContact CB-CB 4.5Å; Q31-L85 PolarHBondContact N-O 2.77Å; Q31-L85 PolarHBondContact O-N 3.09Å; L85-Y87 HydrophobicContact CB-CE2 3.58Å; L85-Y87 WeakPolarHBondContact CB-OH 3.39Å; L85-Y87 VanDerWaalsContact CD1-OH 3.3Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.5Å
86	Y	97.7	Very high	91	Very high	1 Å²	1	63.5 Å²	63.5	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.5	179.5	-74.1	-99.8	0	0	0	110.2	L12 V29 R30 I40 F60 L73 M75 D82 A84 G102 T103 V105	L12-Y86 HydrophobicContact CD1-CD1 3.96Å; L12-Y86 HydrophobicContact CD1-CD2 4.24Å; L12-Y86 HydrophobicContact CD1-CG 3.67Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.18Å; R30-Y86 HydrophobicContact CB-CD1 3.92Å; R30-Y86 HydrophobicContact CB-CE1 3.87Å; R30-Y86 HydrophobicContact CB-CG 4.32Å; I40-Y86 HydrophobicContact CD1-CD1 3.82Å; I40-Y86 HydrophobicContact CD1-CE1 3.66Å; F60-Y86 AromaticContact CE1-CE1 3.8Å; F60-Y86 HydrophobicContact CE1-CE1 3.8Å; F60-Y86 HydrophobicContact CZ-CE1 4.22Å; L73-Y86 HydrophobicContact CD2-CD1 3.66Å; L73-Y86 HydrophobicContact CD2-CE1 3.88Å; M75-Y86 HydrophobicContact CE-CE1 4.2Å; M75-Y86 HydrophobicContact CE-CE2 4.24Å; M75-Y86 VanDerWaalsContact CE-OH 3.25Å; M75-Y86 WeakPolarHBondContact CE-OH 3.23Å; M75-Y86 HydrophobicContact SD-CE1 4.14Å; D82-Y86 WeakPolarHBondContact O-CE2 3.29Å; D82-Y86 PolarHBondContact O-OH 3.13Å; A84-Y86 HydrophobicContact CB-CD2 4.2Å; A84-Y86 HydrophobicContact CB-CE2 3.72Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å; Y86-G102 CarbonylContact O-C 3.55Å; Y86-G102 WeakPolarHBondContact O-CA 3.44Å; Y86-T103 PolarHBondContact N-O 3.02Å; Y86-T103 PolarHBondContact O-N 3.11Å; Y86-V105 HydrophobicContact CD2-CB 3.91Å; Y86-V105 HydrophobicContact CD2-CG2 3.63Å; Y86-V105 HydrophobicContact CE2-CB 3.76Å; Y86-V105 HydrophobicContact CE2-CG1 4.49Å; Y86-V105 HydrophobicContact CE2-CG2 3.88Å; Y86-V105 HydrophobicContact CG-CG2 4.47Å
87	Y	97.5	Very high	90.8	Very high	40 Å²	40	64.9 Å²	64.9	16%	0.157	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.8	-178.2	-54.1	-90.5	0	0	0	109.7	W28 V29 Q31 L37 L85 W99	W28-Y87 CarbonylContact C-O 3.56Å; W28-Y87 WeakPolarHBondContact CA-O 3.48Å; W28-Y87 VanDerWaalsContact CE3-C 3.49Å; V29-Y87 PolarHBondContact N-O 3.06Å; V29-Y87 PolarHBondContact O-N 2.78Å; Q31-Y87 HydrophobicContact CB-CE2 4.11Å; L37-Y87 HydrophobicContact CD2-CE2 4.38Å; L85-Y87 HydrophobicContact CB-CE2 3.58Å; L85-Y87 WeakPolarHBondContact CB-OH 3.39Å; L85-Y87 VanDerWaalsContact CD1-OH 3.3Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.5Å; Y87-W99 HydrophobicContact CG-CE3 4.26Å; Y87-W99 HydrophobicContact CG-CZ3 4.41Å
88	C	95.9	Very high	90.9	Very high	11 Å²	11	64.4 Å²	64.4	7%	0.074	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	147.8	159.2	54.1	0	0	0	0	108.9	C14 S27 W28 L71 G100	C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.2Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.21Å; S27-C88 CarbonylContact O-C 3.42Å; S27-C88 VanDerWaalsContact O-CA 3.31Å; S27-C88 WeakPolarHBondContact O-CA 3.19Å; W28-C88 HydrophobicContact CE3-CB 4.46Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.35Å; L71-C88 HydrophobicContact CD2-CB 4Å; C88-G100 PolarHBondContact O-N 2.6Å
89	A	95.3	Very high	91	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.7	173.2	0	0	0	0	0	111.8	M26 S27 L96 Y98 W99	M26-A89 CarbonylContact C-O 3.59Å; M26-A89 WeakPolarHBondContact CA-O 3.2Å; S27-A89 PolarHBondContact N-O 3.01Å; S27-A89 PolarHBondContact O-N 3.42Å; A89-L96 HydrophobicContact CB-CB 4.11Å; A89-L96 HydrophobicContact CB-CD1 4.12Å; A89-L96 HydrophobicContact CB-CD2 4.13Å; A89-L96 HydrophobicContact CB-CG 4.35Å; A89-Y98 CarbonylContact C-O 3.59Å; A89-Y98 WeakPolarHBondContact CA-O 3.25Å; A89-Y98 WeakPolarHBondContact CB-O 3.2Å; A89-W99 HydrophobicContact CB-CD2 3.87Å; A89-W99 HydrophobicContact CB-CE3 4.01Å; A89-W99 HydrophobicContact CB-CG 4.27Å; A89-W99 HydrophobicContact CB-CZ3 4.39Å
90	R	93.9	Very high	91.1	Very high	42 Å²	42	64.5 Å²	64.5	16%	0.158	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.7	168	-171.7	-174.9	83.9	172.1	0.7	109.6	Y24 M26 L96 D97 Y98	Y24-R90 HydrophobicContact CD1-CG 4.42Å; Y24-R90 HydrophobicContact CD2-CG 4.45Å; Y24-R90 HydrophobicContact CG-CG 3.93Å; M26-R90 HydrophobicContact CE-CB 4.4Å; M26-R90 HydrophobicContact SD-CB 4.21Å; M26-R90 HydrophobicContact SD-CG 4.16Å; R90-L96 WeakPolarHBondContact O-CA 3.39Å; R90-D97 IonicContact CZ-OD2 3.37Å; R90-D97 IonicContact NE-OD2 3.88Å; R90-D97 PolarHBondContact NE-OD2 3.48Å; R90-D97 IonicContact NH2-OD2 3.06Å; R90-D97 PolarHBondContact NH2-OD2 3.22Å; R90-D97 PolarHBondContact O-N 3.05Å; R90-D97 VanDerWaalsContact O-N 3.16Å; R90-Y98 HydrophobicContact CB-CD2 4.41Å; R90-Y98 VanDerWaalsContact CZ-CD2 3.4Å; R90-Y98 PolarHBondContact N-O 3.4Å
91	T	90.5	Very high	91.2	Very high	30 Å²	30	70.3 Å²	70.3	18%	0.184	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.5	171	-45.6	0	0	0	0	110	W25 S27 E42 L96	W25-T91 PolarHBondContact O-N 3.08Å; S27-T91 PolarHBondContact OG-OG1 3Å; E42-T91 WeakPolarHBondContact OE2-CB 3.42Å; E42-T91 VanDerWaalsContact OE2-CG2 3.22Å; E42-T91 WeakPolarHBondContact OE2-CG2 3.34Å; E42-T91 PolarHBondContact OE2-OG1 3.36Å; T91-L96 HydrophobicContact CG2-CD2 4.34Å
92	G	83.4	Confident	91.4	Very high	16 Å²	16	66 Å²	66	17%	0.165	32%	0.321	C	S	.	.			trans	-92.1	-179.6	168.5	0	0	0	0	0	112.2	Y94 A95 D97	G92-Y94 VanDerWaalsContact C-N 3.27Å; G92-Y94 PolarHBondContact O-N 3.03Å; G92-A95 WeakPolarHBondContact CA-O 3.34Å; G92-A95 PolarHBondContact N-O 2.98Å; G92-D97 WeakPolarHBondContact CA-OD2 3.48Å
93	Y	77.8	Confident	91.5	Very high	225 Å²	225	67.6 Å²	67.6	88%	0.882	33%	0.33	S	S	*	.	S	Bend	trans	-63.5	-28.5	-177.1	-84	-82.1	0	0	0	114.4
94	Y	81.3	Confident	91.5	Very high	234 Å²	234	68.5 Å²	68.5	92%	0.918	34%	0.338	S	S	*	.	S	Bend	trans	-129	-11.5	-174.8	-56.9	-70.8	0	0	0	113.8	G92	G92-Y94 VanDerWaalsContact C-N 3.27Å; G92-Y94 PolarHBondContact O-N 3.03Å
95	A	85.9	Confident	91.4	Very high	57 Å²	57	68.2 Å²	68.2	47%	0.471	34%	0.336	S	S	.	.	S	Bend	trans	-159.5	176.8	-172	0	0	0	0	0	112.4	G92 D97	G92-A95 WeakPolarHBondContact CA-O 3.34Å; G92-A95 PolarHBondContact N-O 2.98Å; A95-D97 VanDerWaalsContact O-OD1 3.09Å
96	L	88.2	Confident	91.1	Very high	44 Å²	44	67.9 Å²	67.9	23%	0.23	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.1	165.5	-64.9	179.1	0	0	0	108.8	V29 A89 R90 T91 W99	V29-L96 HydrophobicContact CG2-CD1 3.7Å; A89-L96 HydrophobicContact CB-CB 4.11Å; A89-L96 HydrophobicContact CB-CD1 4.12Å; A89-L96 HydrophobicContact CB-CD2 4.13Å; A89-L96 HydrophobicContact CB-CG 4.35Å; R90-L96 WeakPolarHBondContact O-CA 3.39Å; T91-L96 HydrophobicContact CG2-CD2 4.34Å; L96-W99 HydrophobicContact CB-CH2 4.45Å; L96-W99 HydrophobicContact CB-CZ2 3.51Å; L96-W99 HydrophobicContact CD1-CH2 3.5Å; L96-W99 VanDerWaalsContact CD1-CH2 3.5Å; L96-W99 HydrophobicContact CD1-CZ2 3.38Å; L96-W99 HydrophobicContact CD1-CZ3 4.44Å; L96-W99 HydrophobicContact CG-CZ2 4.07Å; L96-W99 PolarHBondContact O-NE1 2.74Å
97	D	86.7	Confident	90.6	Very high	71 Å²	71	68.1 Å²	68.1	38%	0.38	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-34.4	-163.2	-40.1	-26	0	0	0	113.1	R90 G92 A95	R90-D97 IonicContact CZ-OD2 3.37Å; R90-D97 IonicContact NE-OD2 3.88Å; R90-D97 PolarHBondContact NE-OD2 3.48Å; R90-D97 IonicContact NH2-OD2 3.06Å; R90-D97 PolarHBondContact NH2-OD2 3.22Å; R90-D97 PolarHBondContact O-N 3.05Å; R90-D97 VanDerWaalsContact O-N 3.16Å; G92-D97 WeakPolarHBondContact CA-OD2 3.48Å; A95-D97 VanDerWaalsContact O-OD1 3.09Å
98	Y	89.6	Confident	89.5	Confident	152 Å²	152	69.3 Å²	69.3	60%	0.596	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.5	-178.4	-68.4	-77.7	0	0	0	109.8	A89 R90	A89-Y98 CarbonylContact C-O 3.59Å; A89-Y98 WeakPolarHBondContact CA-O 3.25Å; A89-Y98 WeakPolarHBondContact CB-O 3.2Å; R90-Y98 HydrophobicContact CB-CD2 4.41Å; R90-Y98 VanDerWaalsContact CZ-CD2 3.4Å; R90-Y98 PolarHBondContact N-O 3.4Å
99	W	93.6	Very high	87.9	Confident	104 Å²	104	76.6 Å²	76.6	39%	0.394	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.2	-175	-68.3	76.4	0	0	0	110.9	V29 L37 Y87 A89 L96	V29-W99 HydrophobicContact CB-CH2 4.12Å; V29-W99 HydrophobicContact CB-CZ3 3.78Å; V29-W99 HydrophobicContact CG1-CH2 4.01Å; V29-W99 HydrophobicContact CG1-CZ3 3.93Å; V29-W99 HydrophobicContact CG2-CH2 3.79Å; V29-W99 HydrophobicContact CG2-CZ3 3.82Å; L37-W99 HydrophobicContact CD1-CH2 3.96Å; L37-W99 HydrophobicContact CD1-CZ3 4.46Å; Y87-W99 HydrophobicContact CG-CE3 4.26Å; Y87-W99 HydrophobicContact CG-CZ3 4.41Å; A89-W99 HydrophobicContact CB-CD2 3.87Å; A89-W99 HydrophobicContact CB-CE3 4.01Å; A89-W99 HydrophobicContact CB-CG 4.27Å; A89-W99 HydrophobicContact CB-CZ3 4.39Å; L96-W99 HydrophobicContact CB-CH2 4.45Å; L96-W99 HydrophobicContact CB-CZ2 3.51Å; L96-W99 HydrophobicContact CD1-CH2 3.5Å; L96-W99 VanDerWaalsContact CD1-CH2 3.5Å; L96-W99 HydrophobicContact CD1-CZ2 3.38Å; L96-W99 HydrophobicContact CD1-CZ3 4.44Å; L96-W99 HydrophobicContact CG-CZ2 4.07Å; L96-W99 PolarHBondContact O-NE1 2.74Å
100	G	93.4	Very high	87.5	Confident	25 Å²	25	80.4 Å²	80.4	26%	0.258	42%	0.424	S	S	.	.			trans	-70.3	162.9	166.4	0	0	0	0	0	111.5	C88 G102	C88-G100 PolarHBondContact O-N 2.6Å; G100-G102 PolarHBondContact O-N 2.92Å
101	Q	93.1	Very high	87.2	Confident	191 Å²	191	82.4 Å²	82.4	89%	0.893	44%	0.438	S	S	*	.			trans	-62.6	-15.1	179.3	-65.7	-63.3	-36.1	0	0	114
102	G	93.6	Very high	87	Confident	33 Å²	33	85.3 Å²	85.3	34%	0.34	45%	0.452	S	S	.	.			trans	84.3	154.9	-176.2	0	0	0	0	0	112.7	Y86 G100	Y86-G102 CarbonylContact O-C 3.55Å; Y86-G102 WeakPolarHBondContact O-CA 3.44Å; G100-G102 PolarHBondContact O-N 2.92Å
103	T	95.3	Very high	87.2	Confident	35 Å²	35	89.4 Å²	89.4	22%	0.215	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.6	173	-173.5	0	0	0	0	109.7	G1 L12 Y86	G1-T103 WeakPolarHBondContact CA-OG1 3.49Å; G1-T103 PolarHBondContact N-OG1 3.36Å; L12-T103 HydrophobicContact CD1-CG2 3.86Å; L12-T103 HydrophobicContact CD2-CG2 3.9Å; L12-T103 HydrophobicContact CG-CG2 4.37Å; Y86-T103 PolarHBondContact N-O 3.02Å; Y86-T103 PolarHBondContact O-N 3.11Å
104	S	94.9	Very high	87.8	Confident	54 Å²	54	80.9 Å²	80.9	38%	0.378	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	130.4	174	-178.5	0	0	0	0	110.1	G1 G2	G1-S104 WeakPolarHBondContact CA-O 3.26Å; G2-S104 PolarHBondContact N-O 2.97Å
105	V	93.9	Very high	88.2	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127	167.1	178.1	0	0	0	0	107.1	L10 L12 M75 T83 A84 Y86	L10-V105 HydrophobicContact CD2-CB 4.43Å; L10-V105 HydrophobicContact CD2-CG1 3.84Å; L10-V105 HydrophobicContact CD2-CG2 3.69Å; L12-V105 HydrophobicContact CD1-CG2 4.04Å; L12-V105 HydrophobicContact CD2-CG2 3.87Å; L12-V105 HydrophobicContact CG-CG2 4.49Å; M75-V105 HydrophobicContact CE-CG1 4.33Å; T83-V105 WeakPolarHBondContact CA-O 3.48Å; A84-V105 PolarHBondContact N-O 3Å; A84-V105 PolarHBondContact O-N 3.2Å; Y86-V105 HydrophobicContact CD2-CB 3.91Å; Y86-V105 HydrophobicContact CD2-CG2 3.63Å; Y86-V105 HydrophobicContact CE2-CB 3.76Å; Y86-V105 HydrophobicContact CE2-CG1 4.49Å; Y86-V105 HydrophobicContact CE2-CG2 3.88Å; Y86-V105 HydrophobicContact CG-CG2 4.47Å
106	T	91.7	Very high	88.4	Confident	59 Å²	59	71.6 Å²	71.6	36%	0.362	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.4	176.6	-56.7	0	0	0	0	108.7	V4 T83	V4-T106 PolarHBondContact N-O 3.26Å; T83-T106 HydrophobicContact CG2-CG2 4.35Å
107	A	86.4	Confident	88.4	Confident	6 Å²	6	73.8 Å²	73.8	5%	0.05	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.2	174.3	0	0	0	0	0	108.4	V78 R79 T83	V78-A107 HydrophobicContact CG1-CB 3.79Å; R79-A107 WeakPolarHBondContact O-CB 3.41Å; T83-A107 PolarHBondContact OG1-N 2.9Å
108	S	75.4	Confident	88.5	Confident	66 Å²	66	74 Å²	74	46%	0.462	42%	0.424	S	S	.	.			trans	-89.9	125.6	177.9	53.9	0	0	0	0	109.6	P6	P6-S108 WeakPolarHBondContact CD-O 3.23Å; P6-S108 WeakPolarHBondContact CG-O 3.25Å
109	S	61.6	Low	88.4	Confident	163 Å²	163	66.9 Å²	66.9	100%	1.14	41%	0.408	S	S	*	.			trans	-51.2	0	172.5	48.3	0	0	0	0	114

Retrieved 109 of 109 residues in 25.4 ms (Link to these results)

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