X5J4Q4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Q4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 94 aa.

						>X5J4Q4_MOUSE|X5J4Q4
SCKASGYTFTTYPIEWMKQNHGKSLEWIGNFHPYNDDTKYNEKFKGKATLTVEKSSSTVYLELSRLTSDDSAVYYCARGGFADWGQGTLVTVSS
					

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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	S	93.9	Very high	82.4	Confident	103 Å²	103	72.4 Å²	72.4	72%	0.72	45%	0.452	S	S	*	.				0	163.1	0	53.7	0	0	0	0	109.2	V59 Y60	S1-V59 CarbonylContact C-O 3.58Å; S1-V59 WeakPolarHBondContact CA-O 3.33Å; S1-Y60 VanDerWaalsContact CB-CE1 3.5Å
2	C	91.9	Very high	82.6	Confident	23 Å²	23	77.3 Å²	77.3	16%	0.155	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	120.2	173.7	171.9	0	0	0	0	109	W16 T58 V59 C76	C2-W16 HydrophobicContact CB-CH2 3.72Å; C2-W16 HydrophobicContact CB-CZ2 3.75Å; C2-T58 WeakPolarHBondContact O-CA 3.4Å; C2-T58 WeakPolarHBondContact O-CG2 3.45Å; C2-V59 HydrophobicContact CB-CG2 3.9Å; C2-V59 PolarHBondContact N-O 2.88Å; C2-V59 PolarHBondContact O-N 3.03Å; C2-C76 HydrophobicContact CB-CB 3.43Å; C2-C76 VanDerWaalsContact CB-CB 3.43Å; C2-C76 WeakPolarHBondContact CB-SG 3.28Å; C2-C76 WeakPolarHBondContact SG-CB 3.07Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 3.25Å
3	K	91.1	Very high	83.1	Confident	149 Å²	149	73.4 Å²	73.4	65%	0.648	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.2	-179.4	-177.6	174.8	-179.2	178	0	109.6	S56 T58	K3-S56 WeakPolarHBondContact CE-O 3.01Å; K3-T58 HydrophobicContact CB-CG2 4.4Å
4	A	84.9	Confident	83.7	Confident	9 Å²	9	68.6 Å²	68.6	7%	0.074	41%	0.406	C	S	.	.			trans	-73.5	143	171.6	0	0	0	0	0	111.2	Y7 F9 S57	A4-Y7 HydrophobicContact CB-CD2 4.23Å; A4-Y7 HydrophobicContact CB-CE2 3.3Å; A4-Y7 WeakPolarHBondContact CB-OH 3.46Å; A4-F9 HydrophobicContact CB-CD2 3.71Å; A4-F9 HydrophobicContact CB-CE2 4.42Å; A4-S57 PolarHBondContact N-O 3.1Å
5	S	83.2	Confident	84.4	Confident	95 Å²	95	65.3 Å²	65.3	66%	0.664	39%	0.385	S	S	*	.			trans	-139.8	145.9	175.5	59.3	0	0	0	0	110.9	Y7	S5-Y7 VanDerWaalsContact C-N 3.35Å; S5-Y7 WeakPolarHBondContact O-CD1 3.29Å; S5-Y7 WeakPolarHBondContact O-CE1 3.26Å; S5-Y7 PolarHBondContact O-N 3.26Å
6	G	77.4	Confident	85.1	Confident	90 Å²	90	62.2 Å²	62.2	93%	0.928	37%	0.365	S	S	*	.	S	Bend	trans	79	7.3	174.1	0	0	0	0	0	116.2
7	Y	72	Confident	85.8	Confident	96 Å²	96	59.3 Å²	59.3	38%	0.376	35%	0.347	S	S	.	.	S	Bend	trans	-154.5	164.6	179.2	50.5	-102.1	0	0	0	113.7	A4 S5 F9 R78	A4-Y7 HydrophobicContact CB-CD2 4.23Å; A4-Y7 HydrophobicContact CB-CE2 3.3Å; A4-Y7 WeakPolarHBondContact CB-OH 3.46Å; S5-Y7 VanDerWaalsContact C-N 3.35Å; S5-Y7 WeakPolarHBondContact O-CD1 3.29Å; S5-Y7 WeakPolarHBondContact O-CE1 3.26Å; S5-Y7 PolarHBondContact O-N 3.26Å; Y7-F9 PolarHBondContact O-N 3.1Å; Y7-F9 VanDerWaalsContact O-N 3.12Å; Y7-R78 VanDerWaalsContact CE2-NE 3.29Å
8	T	75.8	Confident	86.3	Confident	91 Å²	91	56.6 Å²	56.6	56%	0.558	33%	0.33	S	S	*	.			trans	-69.4	104.3	175.6	-52.3	0	0	0	0	110.5	T10 T11 R78	T8-T10 VanDerWaalsContact CG2-OG1 3.29Å; T8-T10 WeakPolarHBondContact CG2-OG1 3.24Å; T8-T10 PolarHBondContact O-N 2.8Å; T8-T11 HydrophobicContact CG2-CG2 4.23Å; T8-T11 PolarHBondContact O-OG1 3.05Å; T8-R78 PolarHBondContact O-NH1 3.02Å; T8-R78 PolarHBondContact O-NH2 3.17Å
9	F	78.8	Confident	86.8	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.026	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-51.3	-32.7	-179.4	-179.5	-98.7	0	0	0	113.5	A4 Y7 T11 I14 P33 V52 K54 S57 V59 R78	A4-F9 HydrophobicContact CB-CD2 3.71Å; A4-F9 HydrophobicContact CB-CE2 4.42Å; Y7-F9 PolarHBondContact O-N 3.1Å; Y7-F9 VanDerWaalsContact O-N 3.12Å; F9-T11 PolarHBondContact O-N 3.03Å; F9-I14 HydrophobicContact CD2-CD1 3.63Å; F9-I14 HydrophobicContact CE2-CD1 3.06Å; F9-I14 HydrophobicContact CZ-CD1 3.63Å; F9-P33 HydrophobicContact CD1-CB 4.1Å; F9-P33 HydrophobicContact CD1-CG 4.09Å; F9-P33 HydrophobicContact CE1-CB 3.99Å; F9-P33 HydrophobicContact CE1-CG 3.77Å; F9-P33 HydrophobicContact CZ-CG 4.24Å; F9-P33 WeakPolarHBondContact O-CG 3.38Å; F9-V52 HydrophobicContact CE1-CG2 3.55Å; F9-V52 HydrophobicContact CZ-CG2 3.5Å; F9-V52 VanDerWaalsContact CZ-CG2 3.5Å; F9-K54 HydrophobicContact CE1-CG 4.43Å; F9-S57 WeakPolarHBondContact CB-OG 2.91Å; F9-S57 WeakPolarHBondContact CD2-O 3.33Å; F9-S57 VanDerWaalsContact CE2-C 3.48Å; F9-S57 WeakPolarHBondContact CE2-O 3.41Å; F9-V59 HydrophobicContact CE2-CG1 3.91Å; F9-V59 HydrophobicContact CZ-CG1 3.6Å; F9-R78 PolarHBondContact O-NH1 3.42Å
10	T	76.7	Confident	87	Confident	65 Å²	65	55.3 Å²	55.3	40%	0.399	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-74.8	-10.8	-166.5	57.4	0	0	0	0	116.9	T8 Y34	T8-T10 VanDerWaalsContact CG2-OG1 3.29Å; T8-T10 WeakPolarHBondContact CG2-OG1 3.24Å; T8-T10 PolarHBondContact O-N 2.8Å; T10-Y34 PolarHBondContact O-N 2.8Å
11	T	80.4	Confident	86.9	Confident	69 Å²	69	59.5 Å²	59.5	42%	0.423	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-94.6	-32	-165.6	51.5	0	0	0	0	116	T8 F9 R78	T8-T11 HydrophobicContact CG2-CG2 4.23Å; T8-T11 PolarHBondContact O-OG1 3.05Å; F9-T11 PolarHBondContact O-N 3.03Å; T11-R78 PolarHBondContact OG1-NH2 2.8Å; T11-R78 VanDerWaalsContact OG1-NH2 3.11Å
12	Y	85.6	Confident	86.2	Confident	132 Å²	132	59 Å²	59	52%	0.518	35%	0.346	S	S	.	.	S	Bend	trans	-121.3	148.5	-174.2	-67.8	-72.4	0	0	0	111.9	P33	Y12-P33 VanDerWaalsContact O-CD 3.27Å; Y12-P33 WeakPolarHBondContact O-CD 3.26Å
13	P	88.9	Confident	85.7	Confident	26 Å²	26	64.8 Å²	64.8	17%	0.169	37%	0.369	C	S	.	.			trans	-63	146.9	172.6	27.7	-33.1	0	0	0	110.4	F31 H32	P13-F31 WeakPolarHBondContact CA-O 3.42Å; P13-H32 HydrophobicContact CB-CB 4.42Å
14	I	91.5	Very high	85.4	Confident	6 Å²	6	62.1 Å²	62.1	3%	0.031	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.3	173.8	-57.5	170.7	0	0	0	107.3	F9 N30 F31 V59 C76 A77 R78	F9-I14 HydrophobicContact CD2-CD1 3.63Å; F9-I14 HydrophobicContact CE2-CD1 3.06Å; F9-I14 HydrophobicContact CZ-CD1 3.63Å; I14-N30 CarbonylContact O-C 3.45Å; I14-N30 VanDerWaalsContact O-CA 3.25Å; I14-N30 WeakPolarHBondContact O-CA 3.38Å; I14-F31 PolarHBondContact N-O 2.92Å; I14-F31 PolarHBondContact O-N 2.97Å; I14-V59 HydrophobicContact CB-CG1 4.27Å; I14-V59 HydrophobicContact CD1-CG1 3.72Å; I14-V59 HydrophobicContact CG2-CG1 4.31Å; I14-V59 HydrophobicContact CG2-CG2 3.67Å; I14-C76 HydrophobicContact CG2-CB 4.48Å; I14-A77 CarbonylContact C-O 3.58Å; I14-A77 WeakPolarHBondContact CA-O 3.34Å; I14-R78 HydrophobicContact CG1-CG 4.5Å
15	E	93.7	Very high	85.8	Confident	19 Å²	19	65.2 Å²	65.2	9%	0.089	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	141.7	-172.2	-55.6	-64.6	161.4	0	0	109.4	W27 N30 C76 A77 F81	E15-W27 PolarHBondContact OE2-NE1 3.32Å; E15-N30 WeakPolarHBondContact OE2-CB 3.43Å; E15-C76 CarbonylContact O-C 3.55Å; E15-C76 WeakPolarHBondContact O-CA 3.43Å; E15-A77 HydrophobicContact CB-CB 4.27Å; E15-A77 PolarHBondContact N-O 3.03Å; E15-A77 PolarHBondContact O-N 3.37Å; E15-F81 HydrophobicContact CB-CE1 3.86Å; E15-F81 HydrophobicContact CB-CZ 4.47Å; E15-F81 HydrophobicContact CG-CE1 3.87Å; E15-F81 HydrophobicContact CG-CZ 4.12Å
16	W	96.1	Very high	86.4	Confident	16 Å²	16	62.6 Å²	62.6	6%	0.061	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.7	168	-80.1	98.5	0	0	0	110.5	C2 I28 G29 L50 V59 L61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.72Å; C2-W16 HydrophobicContact CB-CZ2 3.75Å; W16-I28 HydrophobicContact CB-CB 4.06Å; W16-I28 HydrophobicContact CB-CD1 4.24Å; W16-I28 WeakPolarHBondContact O-CB 3.45Å; W16-I28 PolarHBondContact O-N 3.41Å; W16-G29 PolarHBondContact N-O 3.07Å; W16-L50 HydrophobicContact CB-CD2 4.42Å; W16-L50 HydrophobicContact CG-CD2 3.9Å; W16-V59 HydrophobicContact CZ2-CG2 3.96Å; W16-L61 HydrophobicContact CB-CD2 4.42Å; W16-L61 HydrophobicContact CD2-CB 3.69Å; W16-L61 HydrophobicContact CD2-CD2 3.93Å; W16-L61 HydrophobicContact CD2-CG 4.37Å; W16-L61 HydrophobicContact CE3-CB 4.05Å; W16-L61 HydrophobicContact CE3-CD2 3.73Å; W16-L61 HydrophobicContact CG-CB 4.17Å; W16-L61 HydrophobicContact CG-CD2 4.25Å; W16-L61 HydrophobicContact CH2-CB 4.22Å; W16-L61 HydrophobicContact CZ2-CB 3.85Å; W16-L61 HydrophobicContact CZ3-CB 4.31Å; W16-L61 HydrophobicContact CZ3-CD2 4.32Å; W16-Y75 WeakPolarHBondContact CA-O 3.48Å; W16-C76 HydrophobicContact CD2-CB 4.4Å; W16-C76 HydrophobicContact CE3-CB 4.28Å; W16-C76 HydrophobicContact CH2-CB 4.17Å; W16-C76 HydrophobicContact CZ2-CB 4.31Å; W16-C76 HydrophobicContact CZ3-CB 4.15Å
17	M	95.9	Very high	87.2	Confident	13 Å²	13	61.7 Å²	61.7	6%	0.064	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.4	-175.7	-54.7	-64.1	-68.1	0	0	110.3	L25 E26 W27 Y74 Y75 F81 W84	M17-L25 HydrophobicContact CB-CD2 3.93Å; M17-L25 HydrophobicContact CE-CB 3.94Å; M17-E26 CarbonylContact C-O 3.56Å; M17-E26 WeakPolarHBondContact CA-O 3.37Å; M17-W27 HydrophobicContact CE-CB 4.11Å; M17-W27 HydrophobicContact SD-CB 3.87Å; M17-W27 VanDerWaalsContact SD-CD1 3.54Å; M17-W27 HydrophobicContact SD-CG 4.12Å; M17-Y74 CarbonylContact O-C 3.47Å; M17-Y74 WeakPolarHBondContact O-CA 3.39Å; M17-Y75 PolarHBondContact N-O 3.37Å; M17-Y75 PolarHBondContact O-N 3.04Å; M17-F81 HydrophobicContact CE-CE1 4.2Å; M17-F81 HydrophobicContact CG-CE1 4.11Å; M17-F81 HydrophobicContact SD-CE1 3.6Å; M17-F81 VanDerWaalsContact SD-CE1 3.6Å; M17-F81 HydrophobicContact SD-CZ 4.18Å; M17-W84 HydrophobicContact CB-CH2 4.28Å; M17-W84 HydrophobicContact CB-CZ3 3.97Å; M17-W84 HydrophobicContact CE-CH2 4.44Å; M17-W84 HydrophobicContact CG-CH2 3.71Å; M17-W84 HydrophobicContact CG-CZ3 3.75Å
18	K	95.8	Very high	88.4	Confident	10 Å²	10	57.1 Å²	57.1	4%	0.043	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.9	171.5	-171.9	-175.7	-177.8	-155.4	0	109.2	N20 L25 E26 I28 F44 D69 D70 A72 Y74	K18-N20 WeakPolarHBondContact CD-OD1 3.37Å; K18-N20 WeakPolarHBondContact CE-OD1 3.47Å; K18-N20 PolarHBondContact NZ-OD1 2.91Å; K18-N20 VanDerWaalsContact NZ-OD1 3.09Å; K18-L25 CarbonylContact O-C 3.58Å; K18-L25 WeakPolarHBondContact O-CA 3.47Å; K18-E26 HydrophobicContact CB-CB 4.47Å; K18-E26 PolarHBondContact N-O 3.19Å; K18-E26 PolarHBondContact O-N 3.09Å; K18-I28 HydrophobicContact CB-CD1 4.03Å; K18-I28 HydrophobicContact CB-CG1 4.17Å; K18-F44 HydrophobicContact CB-CZ 4.38Å; K18-F44 HydrophobicContact CD-CE1 3.96Å; K18-F44 HydrophobicContact CD-CZ 3.99Å; K18-D69 PolarHBondContact NZ-O 3.44Å; K18-D70 WeakPolarHBondContact CE-O 3.38Å; K18-D70 IonicContact NZ-OD1 2.73Å; K18-A72 HydrophobicContact CD-CB 4.14Å; K18-A72 VanDerWaalsContact CE-CB 3.47Å; K18-A72 HydrophobicContact CG-CB 3.54Å; K18-Y74 HydrophobicContact CB-CD1 4.34Å; K18-Y74 HydrophobicContact CB-CE1 4.12Å; K18-Y74 HydrophobicContact CD-CE1 4.11Å; K18-Y74 WeakPolarHBondContact CE-OH 3.4Å; K18-Y74 HydrophobicContact CG-CD1 4.33Å; K18-Y74 HydrophobicContact CG-CE1 3.83Å; K18-Y74 HydrophobicContact CG-CE2 4.42Å
19	Q	95.6	Very high	89.3	Confident	69 Å²	69	52.8 Å²	52.8	32%	0.322	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	107.2	170.8	-170.7	-178.9	32.6	0	0	109.5	L25 A72 V73 Y75	Q19-L25 HydrophobicContact CB-CD2 3.86Å; Q19-L25 HydrophobicContact CB-CG 4.44Å; Q19-L25 HydrophobicContact CG-CD2 4.39Å; Q19-L25 HydrophobicContact CG-CG 4.48Å; Q19-A72 WeakPolarHBondContact O-CA 3.43Å; Q19-A72 VanDerWaalsContact O-CB 3.24Å; Q19-A72 WeakPolarHBondContact O-CB 3.38Å; Q19-V73 PolarHBondContact N-O 2.7Å; Q19-V73 PolarHBondContact O-N 3.11Å; Q19-Y75 HydrophobicContact CB-CD2 4.4Å; Q19-Y75 HydrophobicContact CB-CE2 3.72Å; Q19-Y75 PolarHBondContact OE1-OH 2.94Å
20	N	91.1	Very high	90	Very high	19 Å²	19	53.5 Å²	53.5	10%	0.102	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	152.5	174	-49.4	-39.3	0	0	0	109.7	K18 G22 K23 E26	K18-N20 WeakPolarHBondContact CD-OD1 3.37Å; K18-N20 WeakPolarHBondContact CE-OD1 3.47Å; K18-N20 PolarHBondContact NZ-OD1 2.91Å; K18-N20 VanDerWaalsContact NZ-OD1 3.09Å; N20-G22 PolarHBondContact O-N 3.02Å; N20-G22 VanDerWaalsContact O-N 3.1Å; N20-K23 HydrophobicContact CB-CB 4.08Å; N20-K23 HydrophobicContact CB-CD 4.02Å; N20-K23 HydrophobicContact CB-CG 4.25Å; N20-K23 PolarHBondContact O-N 3.14Å; N20-E26 PolarHBondContact ND2-OE2 2.87Å
21	H	84.9	Confident	90.7	Very high	144 Å²	144	51 Å²	51	67%	0.667	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	118.3	178.2	-77.7	-129.5	0	0	0	111.2	K23	H21-K23 PolarHBondContact O-N 2.82Å
22	G	79.3	Confident	91.2	Very high	92 Å²	92	50 Å²	50	95%	0.948	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	11.3	178.6	0	0	0	0	0	115.9	N20	N20-G22 PolarHBondContact O-N 3.02Å; N20-G22 VanDerWaalsContact O-N 3.1Å
23	K	80.9	Confident	91.2	Very high	145 Å²	145	43.9 Å²	43.9	63%	0.63	24%	0.239	S	C	*	.	S	Bend	trans	-116.2	170.9	177.8	-57.1	-175.8	178.7	174.4	0	112.1	N20 H21	N20-K23 HydrophobicContact CB-CB 4.08Å; N20-K23 HydrophobicContact CB-CD 4.02Å; N20-K23 HydrophobicContact CB-CG 4.25Å; N20-K23 PolarHBondContact O-N 3.14Å; H21-K23 PolarHBondContact O-N 2.82Å
24	S	86.1	Confident	91.1	Very high	93 Å²	93	51.7 Å²	51.7	65%	0.65	27%	0.267	S	S	*	.			trans	-64.8	156.8	174.4	57.6	0	0	0	0	112.3
25	L	92.8	Very high	91	Very high	73 Å²	73	55.8 Å²	55.8	38%	0.382	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	132.5	168.4	-81.9	156	0	0	0	110.3	M17 K18 Q19 Y75 W84	M17-L25 HydrophobicContact CB-CD2 3.93Å; M17-L25 HydrophobicContact CE-CB 3.94Å; K18-L25 CarbonylContact O-C 3.58Å; K18-L25 WeakPolarHBondContact O-CA 3.47Å; Q19-L25 HydrophobicContact CB-CD2 3.86Å; Q19-L25 HydrophobicContact CB-CG 4.44Å; Q19-L25 HydrophobicContact CG-CD2 4.39Å; Q19-L25 HydrophobicContact CG-CG 4.48Å; L25-Y75 HydrophobicContact CD2-CD2 4.13Å; L25-Y75 HydrophobicContact CD2-CE2 4.35Å; L25-W84 HydrophobicContact CD1-CH2 3.89Å; L25-W84 HydrophobicContact CD1-CZ3 4.38Å; L25-W84 HydrophobicContact CD2-CH2 4.25Å; L25-W84 HydrophobicContact CD2-CZ3 4.14Å
26	E	94.7	Very high	90.8	Very high	41 Å²	41	59 Å²	59	19%	0.192	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.2	174.4	-65.5	-170.1	91	0	0	109.4	M17 K18 N20 K43 F44	M17-E26 CarbonylContact C-O 3.56Å; M17-E26 WeakPolarHBondContact CA-O 3.37Å; K18-E26 HydrophobicContact CB-CB 4.47Å; K18-E26 PolarHBondContact N-O 3.19Å; K18-E26 PolarHBondContact O-N 3.09Å; N20-E26 PolarHBondContact ND2-OE2 2.87Å; E26-K43 IonicContact OE1-NZ 3.57Å; E26-K43 PolarHBondContact OE1-NZ 2.87Å; E26-F44 HydrophobicContact CB-CE2 4.37Å; E26-F44 HydrophobicContact CB-CZ 4.38Å
27	W	95.1	Very high	90.5	Very high	71 Å²	71	61.2 Å²	61.2	27%	0.269	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.1	174.4	179.9	74	0	0	0	110.8	E15 M17 G29 N30 K39 N41	E15-W27 PolarHBondContact OE2-NE1 3.32Å; M17-W27 HydrophobicContact CE-CB 4.11Å; M17-W27 HydrophobicContact SD-CB 3.87Å; M17-W27 VanDerWaalsContact SD-CD1 3.54Å; M17-W27 HydrophobicContact SD-CG 4.12Å; W27-G29 VanDerWaalsContact CE2-CA 3.49Å; W27-G29 VanDerWaalsContact CZ2-C 3.49Å; W27-G29 VanDerWaalsContact CZ2-CA 3.4Å; W27-G29 PolarHBondContact NE1-O 2.86Å; W27-N30 HydrophobicContact CZ2-CB 4.05Å; W27-K39 HydrophobicContact CH2-CB 3.97Å; W27-K39 HydrophobicContact CZ2-CB 4.36Å; W27-N41 HydrophobicContact CE3-CB 3.61Å; W27-N41 HydrophobicContact CZ3-CB 3.83Å; W27-N41 WeakPolarHBondContact O-CB 3.47Å; W27-N41 PolarHBondContact O-ND2 2.9Å
28	I	96.1	Very high	90.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-46.6	179.6	-61.4	171.1	0	0	0	110.3	W16 K18 N41 F44 A48 L61 Y74	W16-I28 HydrophobicContact CB-CB 4.06Å; W16-I28 HydrophobicContact CB-CD1 4.24Å; W16-I28 WeakPolarHBondContact O-CB 3.45Å; W16-I28 PolarHBondContact O-N 3.41Å; K18-I28 HydrophobicContact CB-CD1 4.03Å; K18-I28 HydrophobicContact CB-CG1 4.17Å; I28-N41 WeakPolarHBondContact O-CB 3.35Å; I28-N41 PolarHBondContact O-N 3.07Å; I28-F44 HydrophobicContact CB-CD2 4.4Å; I28-F44 HydrophobicContact CB-CG 4.32Å; I28-F44 HydrophobicContact CG1-CD1 4.15Å; I28-F44 HydrophobicContact CG1-CD2 4.32Å; I28-F44 HydrophobicContact CG1-CE1 4.03Å; I28-F44 HydrophobicContact CG1-CE2 4.18Å; I28-F44 HydrophobicContact CG1-CG 4.28Å; I28-F44 HydrophobicContact CG1-CZ 4.04Å; I28-F44 HydrophobicContact CG2-CB 3.95Å; I28-F44 HydrophobicContact CG2-CD1 4.18Å; I28-F44 HydrophobicContact CG2-CD2 4.49Å; I28-F44 HydrophobicContact CG2-CG 3.96Å; I28-A48 HydrophobicContact CG2-CB 3.72Å; I28-L61 HydrophobicContact CD1-CD2 3.76Å; I28-L61 HydrophobicContact CG2-CD1 4.09Å; I28-Y74 HydrophobicContact CD1-CD1 3.68Å; I28-Y74 HydrophobicContact CD1-CE1 3.81Å
29	G	95.2	Very high	90.3	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	170.9	-172.1	0	0	0	0	0	111.6	W16 W27 K39	W16-G29 PolarHBondContact N-O 3.07Å; W27-G29 VanDerWaalsContact CE2-CA 3.49Å; W27-G29 VanDerWaalsContact CZ2-C 3.49Å; W27-G29 VanDerWaalsContact CZ2-CA 3.4Å; W27-G29 PolarHBondContact NE1-O 2.86Å; G29-K39 CarbonylContact C-O 3.42Å; G29-K39 WeakPolarHBondContact CA-O 3.32Å
30	N	93.7	Very high	90.3	Very high	20 Å²	20	67.8 Å²	67.8	11%	0.107	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157	176.6	75.8	-149.9	0	0	0	111.6	I14 E15 W27 T38 K39	I14-N30 CarbonylContact O-C 3.45Å; I14-N30 VanDerWaalsContact O-CA 3.25Å; I14-N30 WeakPolarHBondContact O-CA 3.38Å; E15-N30 WeakPolarHBondContact OE2-CB 3.43Å; W27-N30 HydrophobicContact CZ2-CB 4.05Å; N30-T38 WeakPolarHBondContact O-CA 3.14Å; N30-T38 WeakPolarHBondContact O-CG2 3.2Å; N30-K39 PolarHBondContact N-O 2.83Å; N30-K39 PolarHBondContact ND2-N 2.8Å; N30-K39 PolarHBondContact O-N 2.79Å
31	F	91.4	Very high	90.5	Very high	13 Å²	13	68.9 Å²	68.9	6%	0.057	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.8	161.6	176.1	-102.4	0	0	0	109.4	P13 I14 P33 D36 T38 V52 V59	P13-F31 WeakPolarHBondContact CA-O 3.42Å; I14-F31 PolarHBondContact N-O 2.92Å; I14-F31 PolarHBondContact O-N 2.97Å; F31-P33 HydrophobicContact CD1-CB 4.47Å; F31-P33 HydrophobicContact CD1-CG 3.83Å; F31-P33 VanDerWaalsContact CE1-CA 3.41Å; F31-P33 HydrophobicContact CE1-CB 3.86Å; F31-P33 HydrophobicContact CE1-CG 3.71Å; F31-P33 WeakPolarHBondContact O-CD 3.39Å; F31-D36 HydrophobicContact CE2-CB 4.46Å; F31-D36 HydrophobicContact CZ-CB 4.5Å; F31-D36 WeakPolarHBondContact CZ-OD1 3.22Å; F31-T38 WeakPolarHBondContact CD2-OG1 3.2Å; F31-V52 HydrophobicContact CD1-CB 3.98Å; F31-V52 HydrophobicContact CD1-CG1 4.36Å; F31-V52 HydrophobicContact CD1-CG2 3.98Å; F31-V52 HydrophobicContact CE1-CB 3.69Å; F31-V52 HydrophobicContact CE1-CG1 3.67Å; F31-V52 HydrophobicContact CE1-CG2 3.57Å; F31-V52 HydrophobicContact CE2-CB 4.43Å; F31-V52 HydrophobicContact CE2-CG1 3.88Å; F31-V52 HydrophobicContact CG-CB 4.46Å; F31-V52 HydrophobicContact CZ-CB 3.96Å; F31-V52 HydrophobicContact CZ-CG1 3.42Å; F31-V52 VanDerWaalsContact CZ-CG1 3.42Å; F31-V52 HydrophobicContact CZ-CG2 4.23Å; F31-V59 HydrophobicContact CD1-CG1 4.41Å
32	H	90.6	Very high	91	Very high	49 Å²	49	68.1 Å²	68.1	23%	0.227	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	103.3	176.7	-161.9	-51.6	0	0	0	110.4	P13 Y34 N35 D36 D37	P13-H32 HydrophobicContact CB-CB 4.42Å; H32-Y34 VanDerWaalsContact C-N 3.27Å; H32-Y34 WeakPolarHBondContact CE1-CB 3.15Å; H32-Y34 WeakPolarHBondContact ND1-CB 3.48Å; H32-Y34 PolarHBondContact ND1-N 2.55Å; H32-Y34 PolarHBondContact O-N 2.8Å; H32-Y34 VanDerWaalsContact O-N 3.17Å; H32-N35 WeakPolarHBondContact CB-OD1 2.98Å; H32-N35 PolarHBondContact O-N 3Å; H32-N35 PolarHBondContact O-OD1 2.73Å; H32-D36 WeakPolarHBondContact O-CA 3.01Å; H32-D36 PolarHBondContact O-N 3.49Å; H32-D37 HydrophobicContact CB-CB 4.42Å; H32-D37 PolarHBondContact N-O 2.77Å; H32-D37 PolarHBondContact O-N 2.78Å
33	P	86.1	Confident	91.6	Very high	3 Å²	3	70.8 Å²	70.8	2%	0.019	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.5	-172.4	-26.9	37.8	0	0	0	116	F9 Y12 F31	F9-P33 HydrophobicContact CD1-CB 4.1Å; F9-P33 HydrophobicContact CD1-CG 4.09Å; F9-P33 HydrophobicContact CE1-CB 3.99Å; F9-P33 HydrophobicContact CE1-CG 3.77Å; F9-P33 HydrophobicContact CZ-CG 4.24Å; F9-P33 WeakPolarHBondContact O-CG 3.38Å; Y12-P33 VanDerWaalsContact O-CD 3.27Å; Y12-P33 WeakPolarHBondContact O-CD 3.26Å; F31-P33 HydrophobicContact CD1-CB 4.47Å; F31-P33 HydrophobicContact CD1-CG 3.83Å; F31-P33 VanDerWaalsContact CE1-CA 3.41Å; F31-P33 HydrophobicContact CE1-CB 3.86Å; F31-P33 HydrophobicContact CE1-CG 3.71Å; F31-P33 WeakPolarHBondContact O-CD 3.39Å
34	Y	85.9	Confident	92.2	Very high	190 Å²	190	64.4 Å²	64.4	75%	0.745	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-40.1	-179.4	178.1	-107.2	0	0	0	113.6	T10 H32	T10-Y34 PolarHBondContact O-N 2.8Å; H32-Y34 VanDerWaalsContact C-N 3.27Å; H32-Y34 WeakPolarHBondContact CE1-CB 3.15Å; H32-Y34 WeakPolarHBondContact ND1-CB 3.48Å; H32-Y34 PolarHBondContact ND1-N 2.55Å; H32-Y34 PolarHBondContact O-N 2.8Å; H32-Y34 VanDerWaalsContact O-N 3.17Å
35	N	90	Very high	92.4	Very high	92 Å²	92	65.8 Å²	65.8	49%	0.492	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	9.1	-174.5	64	-13.5	0	0	0	112.9	H32 D37	H32-N35 WeakPolarHBondContact CB-OD1 2.98Å; H32-N35 PolarHBondContact O-N 3Å; H32-N35 PolarHBondContact O-OD1 2.73Å; N35-D37 PolarHBondContact O-N 2.84Å; N35-D37 VanDerWaalsContact O-N 3.16Å; N35-D37 VanDerWaalsContact OD1-CB 3.28Å; N35-D37 WeakPolarHBondContact OD1-CB 3.44Å; N35-D37 PolarHBondContact OD1-N 2.02Å
36	D	89	Confident	92.3	Very high	86 Å²	86	65.6 Å²	65.6	46%	0.46	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	26.1	-177.2	-65.4	-42.8	0	0	0	114.2	F31 H32 K54	F31-D36 HydrophobicContact CE2-CB 4.46Å; F31-D36 HydrophobicContact CZ-CB 4.5Å; F31-D36 WeakPolarHBondContact CZ-OD1 3.22Å; H32-D36 WeakPolarHBondContact O-CA 3.01Å; H32-D36 PolarHBondContact O-N 3.49Å; D36-K54 WeakPolarHBondContact OD1-CE 3.49Å; D36-K54 IonicContact OD1-NZ 2.8Å; D36-K54 PolarHBondContact OD1-NZ 3.07Å; D36-K54 IonicContact OD2-NZ 2.87Å; D36-K54 PolarHBondContact OD2-NZ 3.43Å
37	D	91.1	Very high	92.2	Very high	62 Å²	62	66 Å²	66	33%	0.332	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.5	179.5	-173.7	33.9	0	0	0	111.2	H32 N35 K39	H32-D37 HydrophobicContact CB-CB 4.42Å; H32-D37 PolarHBondContact N-O 2.77Å; H32-D37 PolarHBondContact O-N 2.78Å; N35-D37 PolarHBondContact O-N 2.84Å; N35-D37 VanDerWaalsContact O-N 3.16Å; N35-D37 VanDerWaalsContact OD1-CB 3.28Å; N35-D37 WeakPolarHBondContact OD1-CB 3.44Å; N35-D37 PolarHBondContact OD1-N 2.02Å; D37-K39 WeakPolarHBondContact OD2-CE 3.48Å
38	T	93.1	Very high	92.3	Very high	47 Å²	47	62.8 Å²	62.8	29%	0.288	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.2	177.8	-50.7	0	0	0	0	109.3	N30 F31 Y40 L50	N30-T38 WeakPolarHBondContact O-CA 3.14Å; N30-T38 WeakPolarHBondContact O-CG2 3.2Å; F31-T38 WeakPolarHBondContact CD2-OG1 3.2Å; T38-Y40 HydrophobicContact CG2-CD2 4.16Å; T38-Y40 HydrophobicContact CG2-CE1 4.5Å; T38-Y40 HydrophobicContact CG2-CE2 3.39Å; T38-L50 HydrophobicContact CG2-CB 3.97Å; T38-L50 HydrophobicContact CG2-CD1 4.01Å
39	K	94	Very high	92.3	Very high	112 Å²	112	65.7 Å²	65.7	49%	0.487	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.4	176.5	-60.1	-176	-177.6	177.4	0	109.6	W27 G29 N30 D37	W27-K39 HydrophobicContact CH2-CB 3.97Å; W27-K39 HydrophobicContact CZ2-CB 4.36Å; G29-K39 CarbonylContact C-O 3.42Å; G29-K39 WeakPolarHBondContact CA-O 3.32Å; N30-K39 PolarHBondContact N-O 2.83Å; N30-K39 PolarHBondContact ND2-N 2.8Å; N30-K39 PolarHBondContact O-N 2.79Å; D37-K39 WeakPolarHBondContact OD2-CE 3.48Å
40	Y	95.6	Very high	92.2	Very high	71 Å²	71	66.4 Å²	66.4	28%	0.278	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.3	179.3	-67.4	-88.3	0	0	0	109.6	T38 A48 L50	T38-Y40 HydrophobicContact CG2-CD2 4.16Å; T38-Y40 HydrophobicContact CG2-CE1 4.5Å; T38-Y40 HydrophobicContact CG2-CE2 3.39Å; Y40-A48 WeakPolarHBondContact CE1-O 3.17Å; Y40-L50 HydrophobicContact CD1-CD1 4.41Å; Y40-L50 HydrophobicContact CE1-CB 4.21Å; Y40-L50 HydrophobicContact CE1-CD1 3.97Å; Y40-L50 HydrophobicContact CE1-CG 3.76Å; Y40-L50 PolarHBondContact OH-N 2.63Å
41	N	95.3	Very high	92.1	Very high	42 Å²	42	68.5 Å²	68.5	23%	0.225	35%	0.345	C	S	.	.			trans	-73.1	133.3	159.3	-174.3	-29.2	0	0	0	108.6	W27 I28 K43 F44 K45	W27-N41 HydrophobicContact CE3-CB 3.61Å; W27-N41 HydrophobicContact CZ3-CB 3.83Å; W27-N41 WeakPolarHBondContact O-CB 3.47Å; W27-N41 PolarHBondContact O-ND2 2.9Å; I28-N41 WeakPolarHBondContact O-CB 3.35Å; I28-N41 PolarHBondContact O-N 3.07Å; N41-K43 PolarHBondContact O-N 3.3Å; N41-K43 VanDerWaalsContact O-N 3.1Å; N41-K43 PolarHBondContact OD1-N 2.87Å; N41-F44 HydrophobicContact CB-CD2 3.98Å; N41-F44 PolarHBondContact O-N 3.48Å; N41-K45 PolarHBondContact O-N 3.15Å
42	E	94.3	Very high	92.1	Very high	129 Å²	129	70.2 Å²	70.2	60%	0.603	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30.8	-179.6	-69.1	-61.3	142.7	0	0	112.6	F44 K45	E42-F44 PolarHBondContact O-N 2.77Å; E42-K45 WeakPolarHBondContact O-CB 3.05Å; E42-K45 PolarHBondContact O-N 2.84Å; E42-K45 IonicContact OE1-NZ 2.64Å; E42-K45 PolarHBondContact OE1-NZ 3.23Å; E42-K45 WeakPolarHBondContact OE2-CD 3.38Å; E42-K45 IonicContact OE2-NZ 2.81Å; E42-K45 PolarHBondContact OE2-NZ 3.46Å; E42-K45 VanDerWaalsContact OE2-NZ 3.15Å
43	K	91.8	Very high	92	Very high	148 Å²	148	71.8 Å²	71.8	64%	0.643	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-61	-29.2	175	-67.9	-170.5	-174	-176.4	0	114.1	E26 N41	E26-K43 IonicContact OE1-NZ 3.57Å; E26-K43 PolarHBondContact OE1-NZ 2.87Å; N41-K43 PolarHBondContact O-N 3.3Å; N41-K43 VanDerWaalsContact O-N 3.1Å; N41-K43 PolarHBondContact OD1-N 2.87Å
44	F	93.4	Very high	92.1	Very high	10 Å²	10	75.9 Å²	75.9	4%	0.044	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-106.3	-3.7	-174.6	-66.3	-86.2	0	0	0	112.5	K18 E26 I28 N41 E42 G46 K47 A48	K18-F44 HydrophobicContact CB-CZ 4.38Å; K18-F44 HydrophobicContact CD-CE1 3.96Å; K18-F44 HydrophobicContact CD-CZ 3.99Å; E26-F44 HydrophobicContact CB-CE2 4.37Å; E26-F44 HydrophobicContact CB-CZ 4.38Å; I28-F44 HydrophobicContact CB-CD2 4.4Å; I28-F44 HydrophobicContact CB-CG 4.32Å; I28-F44 HydrophobicContact CG1-CD1 4.15Å; I28-F44 HydrophobicContact CG1-CD2 4.32Å; I28-F44 HydrophobicContact CG1-CE1 4.03Å; I28-F44 HydrophobicContact CG1-CE2 4.18Å; I28-F44 HydrophobicContact CG1-CG 4.28Å; I28-F44 HydrophobicContact CG1-CZ 4.04Å; I28-F44 HydrophobicContact CG2-CB 3.95Å; I28-F44 HydrophobicContact CG2-CD1 4.18Å; I28-F44 HydrophobicContact CG2-CD2 4.49Å; I28-F44 HydrophobicContact CG2-CG 3.96Å; N41-F44 HydrophobicContact CB-CD2 3.98Å; N41-F44 PolarHBondContact O-N 3.48Å; E42-F44 PolarHBondContact O-N 2.77Å; F44-G46 PolarHBondContact O-N 2.84Å; F44-K47 PolarHBondContact O-N 2.85Å; F44-A48 HydrophobicContact CB-CB 4.11Å; F44-A48 PolarHBondContact O-N 3.26Å
45	K	90.9	Very high	92.1	Very high	123 Å²	123	72.1 Å²	72.1	54%	0.535	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-63.1	128.5	178.8	-159.9	174.3	-172	172.8	0	110.2	N41 E42 K47	N41-K45 PolarHBondContact O-N 3.15Å; E42-K45 WeakPolarHBondContact O-CB 3.05Å; E42-K45 PolarHBondContact O-N 2.84Å; E42-K45 IonicContact OE1-NZ 2.64Å; E42-K45 PolarHBondContact OE1-NZ 3.23Å; E42-K45 WeakPolarHBondContact OE2-CD 3.38Å; E42-K45 IonicContact OE2-NZ 2.81Å; E42-K45 PolarHBondContact OE2-NZ 3.46Å; E42-K45 VanDerWaalsContact OE2-NZ 3.15Å; K45-K47 PolarHBondContact O-N 2.89Å
46	G	90.3	Very high	92.1	Very high	69 Å²	69	69.2 Å²	69.2	71%	0.711	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-6.2	-174.9	0	0	0	0	0	115.1	F44	F44-G46 PolarHBondContact O-N 2.84Å
47	K	94.1	Very high	92.1	Very high	48 Å²	48	66.7 Å²	66.7	21%	0.209	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-43.4	172.8	-164.2	177.4	-167	165	0	112	F44 K45 L63 S64 D70	F44-K47 PolarHBondContact O-N 2.85Å; K45-K47 PolarHBondContact O-N 2.89Å; K47-L63 WeakPolarHBondContact O-CA 3.34Å; K47-S64 WeakPolarHBondContact CG-O 3.13Å; K47-S64 PolarHBondContact O-N 2.9Å; K47-S64 PolarHBondContact O-OG 3.18Å; K47-D70 WeakPolarHBondContact CE-OD1 3.37Å; K47-D70 WeakPolarHBondContact CE-OD2 3.36Å; K47-D70 IonicContact NZ-OD1 2.55Å; K47-D70 PolarHBondContact NZ-OD1 3.24Å; K47-D70 IonicContact NZ-OD2 3.15Å; K47-D70 PolarHBondContact NZ-OD2 2.85Å
48	A	95.9	Very high	92.1	Very high	4 Å²	4	64.2 Å²	64.2	3%	0.033	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.7	177	0	0	0	0	0	110.9	I28 Y40 F44 L61 E62 L63	I28-A48 HydrophobicContact CG2-CB 3.72Å; Y40-A48 WeakPolarHBondContact CE1-O 3.17Å; F44-A48 HydrophobicContact CB-CB 4.11Å; F44-A48 PolarHBondContact O-N 3.26Å; A48-L61 HydrophobicContact CB-CD1 3.75Å; A48-E62 CarbonylContact C-O 3.56Å; A48-E62 WeakPolarHBondContact CA-O 3.41Å; A48-L63 HydrophobicContact CB-CD2 3.97Å
49	T	95.7	Very high	92	Very high	62 Å²	62	62 Å²	62	38%	0.38	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.6	167.9	-60.1	0	0	0	0	108.2	T51 E62	T49-T51 HydrophobicContact CG2-CG2 4.06Å; T49-E62 PolarHBondContact N-O 2.84Å; T49-E62 PolarHBondContact O-N 2.95Å
50	L	94	Very high	92.1	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.2	175.5	-64.1	177.1	0	0	0	109.5	W16 T38 Y40 Y60 L61	W16-L50 HydrophobicContact CB-CD2 4.42Å; W16-L50 HydrophobicContact CG-CD2 3.9Å; T38-L50 HydrophobicContact CG2-CB 3.97Å; T38-L50 HydrophobicContact CG2-CD1 4.01Å; Y40-L50 HydrophobicContact CD1-CD1 4.41Å; Y40-L50 HydrophobicContact CE1-CB 4.21Å; Y40-L50 HydrophobicContact CE1-CD1 3.97Å; Y40-L50 HydrophobicContact CE1-CG 3.76Å; Y40-L50 PolarHBondContact OH-N 2.63Å; L50-Y60 WeakPolarHBondContact CA-O 3.46Å; L50-L61 HydrophobicContact CD2-CB 4.12Å; L50-L61 HydrophobicContact CD2-CD1 3.65Å; L50-L61 HydrophobicContact CD2-CG 4.48Å
51	T	92.3	Very high	92.1	Very high	65 Å²	65	58.6 Å²	58.6	40%	0.399	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.9	174.5	63.7	0	0	0	0	111.1	T49 V59 Y60	T49-T51 HydrophobicContact CG2-CG2 4.06Å; T51-V59 WeakPolarHBondContact O-CA 3.35Å; T51-Y60 PolarHBondContact N-O 2.86Å; T51-Y60 PolarHBondContact O-N 2.78Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.25Å
52	V	90.4	Very high	92.2	Very high	48 Å²	48	62.4 Å²	62.4	29%	0.291	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.6	-176.7	66.5	0	0	0	0	111.7	F9 F31 K54 V59	F9-V52 HydrophobicContact CE1-CG2 3.55Å; F9-V52 HydrophobicContact CZ-CG2 3.5Å; F9-V52 VanDerWaalsContact CZ-CG2 3.5Å; F31-V52 HydrophobicContact CD1-CB 3.98Å; F31-V52 HydrophobicContact CD1-CG1 4.36Å; F31-V52 HydrophobicContact CD1-CG2 3.98Å; F31-V52 HydrophobicContact CE1-CB 3.69Å; F31-V52 HydrophobicContact CE1-CG1 3.67Å; F31-V52 HydrophobicContact CE1-CG2 3.57Å; F31-V52 HydrophobicContact CE2-CB 4.43Å; F31-V52 HydrophobicContact CE2-CG1 3.88Å; F31-V52 HydrophobicContact CG-CB 4.46Å; F31-V52 HydrophobicContact CZ-CB 3.96Å; F31-V52 HydrophobicContact CZ-CG1 3.42Å; F31-V52 VanDerWaalsContact CZ-CG1 3.42Å; F31-V52 HydrophobicContact CZ-CG2 4.23Å; V52-K54 HydrophobicContact CG2-CG 4.18Å; V52-V59 HydrophobicContact CG2-CG1 4.23Å
53	E	90.1	Very high	92.2	Very high	82 Å²	82	58.1 Å²	58.1	38%	0.383	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	94.8	167.8	-173.5	-177.5	-158.2	0	0	108.6	S55 S56 S57 T58 Y60	E53-S55 VanDerWaalsContact C-N 3.32Å; E53-S55 WeakPolarHBondContact CG-OG 3.43Å; E53-S55 PolarHBondContact O-N 2.84Å; E53-S56 WeakPolarHBondContact CB-OG 3.37Å; E53-S56 WeakPolarHBondContact CG-OG 3.4Å; E53-S56 PolarHBondContact O-N 2.88Å; E53-S56 PolarHBondContact O-OG 3.34Å; E53-S56 WeakPolarHBondContact OE2-CB 3.04Å; E53-S56 PolarHBondContact OE2-OG 3.38Å; E53-S57 PolarHBondContact O-N 3.2Å; E53-T58 PolarHBondContact N-O 3.25Å; E53-T58 PolarHBondContact O-N 3.36Å; E53-T58 VanDerWaalsContact O-N 3.09Å; E53-Y60 HydrophobicContact CB-CE2 3.83Å; E53-Y60 PolarHBondContact OE2-OH 3.02Å
54	K	86.3	Confident	92.4	Very high	89 Å²	89	53.2 Å²	53.2	39%	0.387	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-37.8	-174.6	-68.1	-177.6	-178.9	178.5	0	112.6	F9 D36 V52 S56 S57	F9-K54 HydrophobicContact CE1-CG 4.43Å; D36-K54 WeakPolarHBondContact OD1-CE 3.49Å; D36-K54 IonicContact OD1-NZ 2.8Å; D36-K54 PolarHBondContact OD1-NZ 3.07Å; D36-K54 IonicContact OD2-NZ 2.87Å; D36-K54 PolarHBondContact OD2-NZ 3.43Å; V52-K54 HydrophobicContact CG2-CG 4.18Å; K54-S56 VanDerWaalsContact C-N 3.28Å; K54-S56 PolarHBondContact O-N 2.88Å; K54-S57 PolarHBondContact O-N 2.91Å; K54-S57 VanDerWaalsContact O-N 3.11Å
55	S	87.1	Confident	92.3	Very high	112 Å²	112	63.5 Å²	63.5	78%	0.783	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.5	179.8	52.3	0	0	0	0	112.5	E53	E53-S55 VanDerWaalsContact C-N 3.32Å; E53-S55 WeakPolarHBondContact CG-OG 3.43Å; E53-S55 PolarHBondContact O-N 2.84Å
56	S	89.1	Confident	92.4	Very high	30 Å²	30	60.5 Å²	60.5	21%	0.21	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.8	178.1	74.4	0	0	0	0	113.1	K3 E53 K54 T58	K3-S56 WeakPolarHBondContact CE-O 3.01Å; E53-S56 WeakPolarHBondContact CB-OG 3.37Å; E53-S56 WeakPolarHBondContact CG-OG 3.4Å; E53-S56 PolarHBondContact O-N 2.88Å; E53-S56 PolarHBondContact O-OG 3.34Å; E53-S56 WeakPolarHBondContact OE2-CB 3.04Å; E53-S56 PolarHBondContact OE2-OG 3.38Å; K54-S56 VanDerWaalsContact C-N 3.28Å; K54-S56 PolarHBondContact O-N 2.88Å; S56-T58 PolarHBondContact O-N 3.01Å; S56-T58 PolarHBondContact O-OG1 3.15Å; S56-T58 VanDerWaalsContact OG-CB 3.26Å; S56-T58 WeakPolarHBondContact OG-CB 3.49Å; S56-T58 PolarHBondContact OG-OG1 3.43Å
57	S	89.1	Confident	92.6	Very high	34 Å²	34	60.4 Å²	60.4	24%	0.238	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	39.6	-172.9	-61.4	0	0	0	0	112.5	A4 F9 E53 K54	A4-S57 PolarHBondContact N-O 3.1Å; F9-S57 WeakPolarHBondContact CB-OG 2.91Å; F9-S57 WeakPolarHBondContact CD2-O 3.33Å; F9-S57 VanDerWaalsContact CE2-C 3.48Å; F9-S57 WeakPolarHBondContact CE2-O 3.41Å; E53-S57 PolarHBondContact O-N 3.2Å; K54-S57 PolarHBondContact O-N 2.91Å; K54-S57 VanDerWaalsContact O-N 3.11Å
58	T	91.5	Very high	92.5	Very high	9 Å²	9	61.3 Å²	61.3	6%	0.055	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.2	-176.2	-50.2	0	0	0	0	110.3	C2 K3 E53 S56 Y60	C2-T58 WeakPolarHBondContact O-CA 3.4Å; C2-T58 WeakPolarHBondContact O-CG2 3.45Å; K3-T58 HydrophobicContact CB-CG2 4.4Å; E53-T58 PolarHBondContact N-O 3.25Å; E53-T58 PolarHBondContact O-N 3.36Å; E53-T58 VanDerWaalsContact O-N 3.09Å; S56-T58 PolarHBondContact O-N 3.01Å; S56-T58 PolarHBondContact O-OG1 3.15Å; S56-T58 VanDerWaalsContact OG-CB 3.26Å; S56-T58 WeakPolarHBondContact OG-CB 3.49Å; S56-T58 PolarHBondContact OG-OG1 3.43Å; T58-Y60 HydrophobicContact CG2-CD1 4.49Å; T58-Y60 HydrophobicContact CG2-CD2 4.25Å; T58-Y60 HydrophobicContact CG2-CE1 3.89Å; T58-Y60 HydrophobicContact CG2-CE2 3.64Å; T58-Y60 VanDerWaalsContact CG2-CZ 3.43Å
59	V	91.8	Very high	92.2	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.012	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	147.7	166.1	-64.1	0	0	0	0	110.1	S1 C2 F9 I14 W16 F31 T51 V52	S1-V59 CarbonylContact C-O 3.58Å; S1-V59 WeakPolarHBondContact CA-O 3.33Å; C2-V59 HydrophobicContact CB-CG2 3.9Å; C2-V59 PolarHBondContact N-O 2.88Å; C2-V59 PolarHBondContact O-N 3.03Å; F9-V59 HydrophobicContact CE2-CG1 3.91Å; F9-V59 HydrophobicContact CZ-CG1 3.6Å; I14-V59 HydrophobicContact CB-CG1 4.27Å; I14-V59 HydrophobicContact CD1-CG1 3.72Å; I14-V59 HydrophobicContact CG2-CG1 4.31Å; I14-V59 HydrophobicContact CG2-CG2 3.67Å; W16-V59 HydrophobicContact CZ2-CG2 3.96Å; F31-V59 HydrophobicContact CD1-CG1 4.41Å; T51-V59 WeakPolarHBondContact O-CA 3.35Å; V52-V59 HydrophobicContact CG2-CG1 4.23Å
60	Y	94.9	Very high	92	Very high	82 Å²	82	64.7 Å²	64.7	32%	0.322	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.3	179.7	-56.4	-97.9	0	0	0	109	S1 L50 T51 E53 T58	S1-Y60 VanDerWaalsContact CB-CE1 3.5Å; L50-Y60 WeakPolarHBondContact CA-O 3.46Å; T51-Y60 PolarHBondContact N-O 2.86Å; T51-Y60 PolarHBondContact O-N 2.78Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.25Å; E53-Y60 HydrophobicContact CB-CE2 3.83Å; E53-Y60 PolarHBondContact OE2-OH 3.02Å; T58-Y60 HydrophobicContact CG2-CD1 4.49Å; T58-Y60 HydrophobicContact CG2-CD2 4.25Å; T58-Y60 HydrophobicContact CG2-CE1 3.89Å; T58-Y60 HydrophobicContact CG2-CE2 3.64Å; T58-Y60 VanDerWaalsContact CG2-CZ 3.43Å
61	L	96.4	Very high	92.1	Very high	28 Å²	28	65.3 Å²	65.3	15%	0.147	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.8	168.3	169.7	66.4	0	0	0	105.9	W16 I28 A48 L50 L63 Y74	W16-L61 HydrophobicContact CB-CD2 4.42Å; W16-L61 HydrophobicContact CD2-CB 3.69Å; W16-L61 HydrophobicContact CD2-CD2 3.93Å; W16-L61 HydrophobicContact CD2-CG 4.37Å; W16-L61 HydrophobicContact CE3-CB 4.05Å; W16-L61 HydrophobicContact CE3-CD2 3.73Å; W16-L61 HydrophobicContact CG-CB 4.17Å; W16-L61 HydrophobicContact CG-CD2 4.25Å; W16-L61 HydrophobicContact CH2-CB 4.22Å; W16-L61 HydrophobicContact CZ2-CB 3.85Å; W16-L61 HydrophobicContact CZ3-CB 4.31Å; W16-L61 HydrophobicContact CZ3-CD2 4.32Å; I28-L61 HydrophobicContact CD1-CD2 3.76Å; I28-L61 HydrophobicContact CG2-CD1 4.09Å; A48-L61 HydrophobicContact CB-CD1 3.75Å; L50-L61 HydrophobicContact CD2-CB 4.12Å; L50-L61 HydrophobicContact CD2-CD1 3.65Å; L50-L61 HydrophobicContact CD2-CG 4.48Å; L61-L63 HydrophobicContact CD1-CD2 3.89Å; L61-L63 HydrophobicContact CD1-CG 4.37Å; L61-L63 HydrophobicContact CD2-CD1 4.32Å; L61-L63 HydrophobicContact CD2-CD2 4.2Å; L61-L63 HydrophobicContact CD2-CG 4.27Å; L61-L63 HydrophobicContact CG-CD2 4.06Å; L61-L63 HydrophobicContact CG-CG 4.04Å; L61-Y74 HydrophobicContact CD2-CD1 3.88Å; L61-Y74 HydrophobicContact CD2-CE1 4.41Å
62	E	96.3	Very high	92.3	Very high	122 Å²	122	62.2 Å²	62.2	57%	0.57	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	128.8	170.2	-174.2	177.6	171.6	0	0	108.3	A48 T49	A48-E62 CarbonylContact C-O 3.56Å; A48-E62 WeakPolarHBondContact CA-O 3.41Å; T49-E62 PolarHBondContact N-O 2.84Å; T49-E62 PolarHBondContact O-N 2.95Å
63	L	95.3	Very high	92.6	Very high	40 Å²	40	61.4 Å²	61.4	21%	0.209	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.3	178.4	-62.9	169.1	0	0	0	108.7	K47 A48 L61 L66 Y74	K47-L63 WeakPolarHBondContact O-CA 3.34Å; A48-L63 HydrophobicContact CB-CD2 3.97Å; L61-L63 HydrophobicContact CD1-CD2 3.89Å; L61-L63 HydrophobicContact CD1-CG 4.37Å; L61-L63 HydrophobicContact CD2-CD1 4.32Å; L61-L63 HydrophobicContact CD2-CD2 4.2Å; L61-L63 HydrophobicContact CD2-CG 4.27Å; L61-L63 HydrophobicContact CG-CD2 4.06Å; L61-L63 HydrophobicContact CG-CG 4.04Å; L63-L66 HydrophobicContact CB-CD1 4.18Å; L63-L66 HydrophobicContact CB-CD2 3.68Å; L63-L66 HydrophobicContact CB-CG 4.11Å; L63-L66 HydrophobicContact CD1-CD2 4.19Å; L63-L66 HydrophobicContact CG-CD2 4.45Å; L63-Y74 HydrophobicContact CD1-CD1 4.13Å; L63-Y74 HydrophobicContact CD1-CE1 3.5Å; L63-Y74 VanDerWaalsContact CD1-CE1 3.5Å; L63-Y74 HydrophobicContact CD1-CE2 4.33Å; L63-Y74 HydrophobicContact CD2-CE1 4.48Å
64	S	94.8	Very high	92.9	Very high	45 Å²	45	58 Å²	58	32%	0.315	31%	0.307	S	S	.	.			trans	-116.9	156.4	179.6	65.1	0	0	0	0	111.2	K47 L66	K47-S64 WeakPolarHBondContact CG-O 3.13Å; K47-S64 PolarHBondContact O-N 2.9Å; K47-S64 PolarHBondContact O-OG 3.18Å; S64-L66 VanDerWaalsContact C-N 3.28Å; S64-L66 PolarHBondContact O-N 2.88Å
65	R	92.4	Very high	93.4	Very high	225 Å²	225	55.9 Å²	55.9	85%	0.849	30%	0.297	S	S	*	.	S	Bend	trans	51.6	46.6	176.3	-53.9	178.2	-175.8	178	1.3	112.7
66	L	92.8	Very high	93.7	Very high	60 Å²	60	51.2 Å²	51.2	31%	0.314	26%	0.264	S	S	.	.			trans	-67.2	143.3	179	-68.2	-178.8	0	0	0	111.1	L63 S64 D70 V92	L63-L66 HydrophobicContact CB-CD1 4.18Å; L63-L66 HydrophobicContact CB-CD2 3.68Å; L63-L66 HydrophobicContact CB-CG 4.11Å; L63-L66 HydrophobicContact CD1-CD2 4.19Å; L63-L66 HydrophobicContact CG-CD2 4.45Å; S64-L66 VanDerWaalsContact C-N 3.28Å; S64-L66 PolarHBondContact O-N 2.88Å; L66-D70 WeakPolarHBondContact CA-OD2 3.45Å; L66-D70 HydrophobicContact CD2-CB 3.67Å; L66-V92 HydrophobicContact CB-CG1 4.12Å; L66-V92 HydrophobicContact CB-CG2 3.95Å; L66-V92 HydrophobicContact CD1-CG2 3.98Å
67	T	93.6	Very high	93.9	Very high	67 Å²	67	49.9 Å²	49.9	41%	0.411	26%	0.255	S	S	.	.			trans	-121.1	171.9	171.6	66.8	0	0	0	0	109.7	D69 D70 V92	T67-D69 PolarHBondContact O-N 2.84Å; T67-D69 VanDerWaalsContact O-N 3.14Å; T67-D70 PolarHBondContact N-OD2 3.37Å; T67-D70 WeakPolarHBondContact O-CB 3.43Å; T67-D70 PolarHBondContact O-N 2.81Å; T67-D70 PolarHBondContact OG1-OD2 2.91Å; T67-V92 WeakPolarHBondContact O-CB 3.29Å; T67-V92 WeakPolarHBondContact O-CG1 3.37Å
68	S	92.8	Very high	93.8	Very high	67 Å²	67	48.8 Å²	48.8	47%	0.469	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-54.8	-32.4	178	49.6	0	0	0	0	113.4	D70 S71 V92	S68-D70 PolarHBondContact O-N 2.99Å; S68-S71 VanDerWaalsContact O-CB 3.29Å; S68-S71 WeakPolarHBondContact O-CB 3.4Å; S68-S71 PolarHBondContact O-N 3.12Å; S68-S71 PolarHBondContact O-OG 3.09Å; S68-V92 WeakPolarHBondContact CA-O 2.87Å
69	D	89.7	Confident	93.2	Very high	129 Å²	129	49.8 Å²	49.8	69%	0.69	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-66.6	-12.5	176.3	-65.7	-27.5	0	0	0	113.9	K18 T67 S71	K18-D69 PolarHBondContact NZ-O 3.44Å; T67-D69 PolarHBondContact O-N 2.84Å; T67-D69 VanDerWaalsContact O-N 3.14Å; D69-S71 VanDerWaalsContact C-N 3.33Å
70	D	92.4	Very high	92.4	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.043	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-84.7	-7.8	173.1	-60	-57.7	0	0	0	114	K18 K47 L66 T67 S68 A72 Y74 V92	K18-D70 WeakPolarHBondContact CE-O 3.38Å; K18-D70 IonicContact NZ-OD1 2.73Å; K47-D70 WeakPolarHBondContact CE-OD1 3.37Å; K47-D70 WeakPolarHBondContact CE-OD2 3.36Å; K47-D70 IonicContact NZ-OD1 2.55Å; K47-D70 PolarHBondContact NZ-OD1 3.24Å; K47-D70 IonicContact NZ-OD2 3.15Å; K47-D70 PolarHBondContact NZ-OD2 2.85Å; L66-D70 WeakPolarHBondContact CA-OD2 3.45Å; L66-D70 HydrophobicContact CD2-CB 3.67Å; T67-D70 PolarHBondContact N-OD2 3.37Å; T67-D70 WeakPolarHBondContact O-CB 3.43Å; T67-D70 PolarHBondContact O-N 2.81Å; T67-D70 PolarHBondContact OG1-OD2 2.91Å; S68-D70 PolarHBondContact O-N 2.99Å; D70-A72 PolarHBondContact O-N 2.81Å; D70-Y74 PolarHBondContact O-OH 3.22Å; D70-V92 HydrophobicContact CB-CG2 4.46Å
71	S	94.8	Very high	91.6	Very high	28 Å²	28	52.8 Å²	52.8	20%	0.196	29%	0.289	C	S	.	.			trans	-61	113.2	175.8	-59.1	0	0	0	0	110.5	S68 D69 V90 V92	S68-S71 VanDerWaalsContact O-CB 3.29Å; S68-S71 WeakPolarHBondContact O-CB 3.4Å; S68-S71 PolarHBondContact O-N 3.12Å; S68-S71 PolarHBondContact O-OG 3.09Å; D69-S71 VanDerWaalsContact C-N 3.33Å; S71-V90 CarbonylContact C-O 3.56Å; S71-V90 VanDerWaalsContact CA-O 3.26Å; S71-V90 WeakPolarHBondContact CA-O 3.49Å; S71-V92 PolarHBondContact OG-N 2.8Å; S71-V92 PolarHBondContact OG-O 2.95Å
72	A	96.2	Very high	91	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	167.4	-169.9	0	0	0	0	0	110.8	K18 Q19 D70 Y74 V90	K18-A72 HydrophobicContact CD-CB 4.14Å; K18-A72 VanDerWaalsContact CE-CB 3.47Å; K18-A72 HydrophobicContact CG-CB 3.54Å; Q19-A72 WeakPolarHBondContact O-CA 3.43Å; Q19-A72 VanDerWaalsContact O-CB 3.24Å; Q19-A72 WeakPolarHBondContact O-CB 3.38Å; D70-A72 PolarHBondContact O-N 2.81Å; A72-Y74 HydrophobicContact CB-CD2 4.37Å; A72-Y74 HydrophobicContact CB-CE2 3.86Å; A72-Y74 WeakPolarHBondContact O-CD2 3.27Å; A72-V90 PolarHBondContact N-O 2.85Å; A72-V90 PolarHBondContact O-N 3.26Å
73	V	97	Very high	90.6	Very high	31 Å²	31	53.3 Å²	53.3	19%	0.188	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128	165.8	-170.4	0	0	0	0	108.6	Q19 Y75 T88 L89	Q19-V73 PolarHBondContact N-O 2.7Å; Q19-V73 PolarHBondContact O-N 3.11Å; V73-Y75 HydrophobicContact CB-CE2 3.71Å; V73-Y75 HydrophobicContact CG1-CD2 4.21Å; V73-Y75 HydrophobicContact CG1-CE1 3.89Å; V73-Y75 HydrophobicContact CG1-CE2 3.5Å; V73-Y75 VanDerWaalsContact CG1-CE2 3.5Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.39Å; V73-T88 WeakPolarHBondContact CA-O 3.49Å; V73-L89 HydrophobicContact CG2-CB 4.48Å; V73-L89 HydrophobicContact CG2-CD1 4.07Å
74	Y	97.1	Very high	90.4	Very high	10 Å²	10	56.2 Å²	56.2	4%	0.039	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.6	179.6	-70.7	-99	0	0	0	109.9	M17 K18 I28 L61 L63 D70 A72 G87 T88 V90	M17-Y74 CarbonylContact O-C 3.47Å; M17-Y74 WeakPolarHBondContact O-CA 3.39Å; K18-Y74 HydrophobicContact CB-CD1 4.34Å; K18-Y74 HydrophobicContact CB-CE1 4.12Å; K18-Y74 HydrophobicContact CD-CE1 4.11Å; K18-Y74 WeakPolarHBondContact CE-OH 3.4Å; K18-Y74 HydrophobicContact CG-CD1 4.33Å; K18-Y74 HydrophobicContact CG-CE1 3.83Å; K18-Y74 HydrophobicContact CG-CE2 4.42Å; I28-Y74 HydrophobicContact CD1-CD1 3.68Å; I28-Y74 HydrophobicContact CD1-CE1 3.81Å; L61-Y74 HydrophobicContact CD2-CD1 3.88Å; L61-Y74 HydrophobicContact CD2-CE1 4.41Å; L63-Y74 HydrophobicContact CD1-CD1 4.13Å; L63-Y74 HydrophobicContact CD1-CE1 3.5Å; L63-Y74 VanDerWaalsContact CD1-CE1 3.5Å; L63-Y74 HydrophobicContact CD1-CE2 4.33Å; L63-Y74 HydrophobicContact CD2-CE1 4.48Å; D70-Y74 PolarHBondContact O-OH 3.22Å; A72-Y74 HydrophobicContact CB-CD2 4.37Å; A72-Y74 HydrophobicContact CB-CE2 3.86Å; A72-Y74 WeakPolarHBondContact O-CD2 3.27Å; Y74-G87 CarbonylContact O-C 3.48Å; Y74-G87 VanDerWaalsContact O-CA 3.26Å; Y74-G87 WeakPolarHBondContact O-CA 3.48Å; Y74-T88 PolarHBondContact N-O 2.64Å; Y74-T88 PolarHBondContact O-N 3.22Å; Y74-V90 HydrophobicContact CD2-CB 3.87Å; Y74-V90 HydrophobicContact CD2-CG2 3.67Å; Y74-V90 HydrophobicContact CE2-CB 3.8Å; Y74-V90 HydrophobicContact CE2-CG1 4.49Å; Y74-V90 HydrophobicContact CE2-CG2 4.04Å
75	Y	95.8	Very high	90.3	Very high	44 Å²	44	55.3 Å²	55.3	17%	0.173	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.6	-177.8	-56.2	-95	0	0	0	110.4	W16 M17 Q19 L25 V73 W84 G87	W16-Y75 WeakPolarHBondContact CA-O 3.48Å; M17-Y75 PolarHBondContact N-O 3.37Å; M17-Y75 PolarHBondContact O-N 3.04Å; Q19-Y75 HydrophobicContact CB-CD2 4.4Å; Q19-Y75 HydrophobicContact CB-CE2 3.72Å; Q19-Y75 PolarHBondContact OE1-OH 2.94Å; L25-Y75 HydrophobicContact CD2-CD2 4.13Å; L25-Y75 HydrophobicContact CD2-CE2 4.35Å; V73-Y75 HydrophobicContact CB-CE2 3.71Å; V73-Y75 HydrophobicContact CG1-CD2 4.21Å; V73-Y75 HydrophobicContact CG1-CE1 3.89Å; V73-Y75 HydrophobicContact CG1-CE2 3.5Å; V73-Y75 VanDerWaalsContact CG1-CE2 3.5Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.39Å; Y75-W84 HydrophobicContact CD1-CE3 4.31Å; Y75-W84 HydrophobicContact CG-CE3 4.1Å; Y75-W84 HydrophobicContact CG-CZ3 4.17Å; Y75-G87 VanDerWaalsContact CE1-CA 3.46Å
76	C	94.2	Very high	90.4	Very high	14 Å²	14	53.5 Å²	53.5	10%	0.095	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	146.1	157	58	0	0	0	0	109.1	C2 I14 E15 W16 G85	C2-C76 HydrophobicContact CB-CB 3.43Å; C2-C76 VanDerWaalsContact CB-CB 3.43Å; C2-C76 WeakPolarHBondContact CB-SG 3.28Å; C2-C76 WeakPolarHBondContact SG-CB 3.07Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 3.25Å; I14-C76 HydrophobicContact CG2-CB 4.48Å; E15-C76 CarbonylContact O-C 3.55Å; E15-C76 WeakPolarHBondContact O-CA 3.43Å; W16-C76 HydrophobicContact CD2-CB 4.4Å; W16-C76 HydrophobicContact CE3-CB 4.28Å; W16-C76 HydrophobicContact CH2-CB 4.17Å; W16-C76 HydrophobicContact CZ2-CB 4.31Å; W16-C76 HydrophobicContact CZ3-CB 4.15Å; C76-G85 PolarHBondContact O-N 3.01Å
77	A	92.6	Very high	90.5	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.025	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161.4	173.7	0	0	0	0	0	110.8	I14 E15 F81 D83 W84	I14-A77 CarbonylContact C-O 3.58Å; I14-A77 WeakPolarHBondContact CA-O 3.34Å; E15-A77 HydrophobicContact CB-CB 4.27Å; E15-A77 PolarHBondContact N-O 3.03Å; E15-A77 PolarHBondContact O-N 3.37Å; A77-F81 HydrophobicContact CB-CD1 3.81Å; A77-F81 HydrophobicContact CB-CE1 4.45Å; A77-D83 CarbonylContact C-O 3.53Å; A77-D83 WeakPolarHBondContact CA-O 3.49Å; A77-D83 WeakPolarHBondContact CB-O 3.26Å; A77-W84 HydrophobicContact CB-CD2 3.75Å; A77-W84 HydrophobicContact CB-CE3 3.94Å; A77-W84 HydrophobicContact CB-CG 4.2Å; A77-W84 HydrophobicContact CB-CH2 4.41Å; A77-W84 HydrophobicContact CB-CZ2 4.25Å; A77-W84 HydrophobicContact CB-CZ3 4.26Å
78	R	87.6	Confident	90.7	Very high	11 Å²	11	53.2 Å²	53.2	4%	0.042	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.9	-179.3	178.9	-178.4	160.3	116.1	-8.6	110.9	Y7 T8 F9 T11 I14 G80 F81 A82 D83	Y7-R78 VanDerWaalsContact CE2-NE 3.29Å; T8-R78 PolarHBondContact O-NH1 3.02Å; T8-R78 PolarHBondContact O-NH2 3.17Å; F9-R78 PolarHBondContact O-NH1 3.42Å; T11-R78 PolarHBondContact OG1-NH2 2.8Å; T11-R78 VanDerWaalsContact OG1-NH2 3.11Å; I14-R78 HydrophobicContact CG1-CG 4.5Å; R78-G80 PolarHBondContact O-N 3.43Å; R78-F81 PolarHBondContact O-N 3.18Å; R78-A82 PolarHBondContact O-N 3.32Å; R78-A82 VanDerWaalsContact O-N 3.15Å; R78-D83 HydrophobicContact CB-CB 4.48Å; R78-D83 PolarHBondContact N-O 3.32Å; R78-D83 PolarHBondContact O-N 3.35Å
79	G	77.9	Confident	90.8	Very high	29 Å²	29	54.8 Å²	54.8	30%	0.299	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	39.5	164.8	0	0	0	0	0	112.9
80	G	76.5	Confident	91.1	Very high	59 Å²	59	50.7 Å²	50.7	61%	0.608	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	36.6	-174.9	0	0	0	0	0	112.9	R78 A82	R78-G80 PolarHBondContact O-N 3.43Å; G80-A82 VanDerWaalsContact C-N 3.32Å; G80-A82 PolarHBondContact O-N 2.66Å
81	F	78.1	Confident	91.2	Very high	89 Å²	89	55.4 Å²	55.4	39%	0.39	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	22.8	-179.1	-47.4	-75.2	0	0	0	114.9	E15 M17 A77 R78 W84	E15-F81 HydrophobicContact CB-CE1 3.86Å; E15-F81 HydrophobicContact CB-CZ 4.47Å; E15-F81 HydrophobicContact CG-CE1 3.87Å; E15-F81 HydrophobicContact CG-CZ 4.12Å; M17-F81 HydrophobicContact CE-CE1 4.2Å; M17-F81 HydrophobicContact CG-CE1 4.11Å; M17-F81 HydrophobicContact SD-CE1 3.6Å; M17-F81 VanDerWaalsContact SD-CE1 3.6Å; M17-F81 HydrophobicContact SD-CZ 4.18Å; A77-F81 HydrophobicContact CB-CD1 3.81Å; A77-F81 HydrophobicContact CB-CE1 4.45Å; R78-F81 PolarHBondContact O-N 3.18Å; F81-W84 HydrophobicContact CB-CZ2 3.77Å; F81-W84 AromaticContact CD1-CH2 3.95Å; F81-W84 HydrophobicContact CD1-CH2 3.95Å; F81-W84 AromaticContact CD1-CZ2 3.49Å; F81-W84 HydrophobicContact CD1-CZ2 3.49Å; F81-W84 VanDerWaalsContact CD1-CZ2 3.49Å; F81-W84 HydrophobicContact CE1-CZ2 4.45Å; F81-W84 AromaticContact CG-CZ2 3.96Å; F81-W84 HydrophobicContact CG-CZ2 3.96Å; F81-W84 PolarHBondContact O-NE1 3.11Å
82	A	83.4	Confident	91.2	Very high	77 Å²	77	55.4 Å²	55.4	64%	0.636	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-39.7	173.1	0	0	0	0	0	111.7	R78 G80	R78-A82 PolarHBondContact O-N 3.32Å; R78-A82 VanDerWaalsContact O-N 3.15Å; G80-A82 VanDerWaalsContact C-N 3.32Å; G80-A82 PolarHBondContact O-N 2.66Å
83	D	87.5	Confident	90.9	Very high	83 Å²	83	60.6 Å²	60.6	44%	0.444	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129	-179.3	-56.9	-55.4	0	0	0	110.3	A77 R78	A77-D83 CarbonylContact C-O 3.53Å; A77-D83 WeakPolarHBondContact CA-O 3.49Å; A77-D83 WeakPolarHBondContact CB-O 3.26Å; R78-D83 HydrophobicContact CB-CB 4.48Å; R78-D83 PolarHBondContact N-O 3.32Å; R78-D83 PolarHBondContact O-N 3.35Å
84	W	92	Very high	90.1	Very high	101 Å²	101	67.5 Å²	67.5	38%	0.383	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.3	179.2	-70.9	75.1	0	0	0	111.3	M17 L25 Y75 A77 F81	M17-W84 HydrophobicContact CB-CH2 4.28Å; M17-W84 HydrophobicContact CB-CZ3 3.97Å; M17-W84 HydrophobicContact CE-CH2 4.44Å; M17-W84 HydrophobicContact CG-CH2 3.71Å; M17-W84 HydrophobicContact CG-CZ3 3.75Å; L25-W84 HydrophobicContact CD1-CH2 3.89Å; L25-W84 HydrophobicContact CD1-CZ3 4.38Å; L25-W84 HydrophobicContact CD2-CH2 4.25Å; L25-W84 HydrophobicContact CD2-CZ3 4.14Å; Y75-W84 HydrophobicContact CD1-CE3 4.31Å; Y75-W84 HydrophobicContact CG-CE3 4.1Å; Y75-W84 HydrophobicContact CG-CZ3 4.17Å; A77-W84 HydrophobicContact CB-CD2 3.75Å; A77-W84 HydrophobicContact CB-CE3 3.94Å; A77-W84 HydrophobicContact CB-CG 4.2Å; A77-W84 HydrophobicContact CB-CH2 4.41Å; A77-W84 HydrophobicContact CB-CZ2 4.25Å; A77-W84 HydrophobicContact CB-CZ3 4.26Å; F81-W84 HydrophobicContact CB-CZ2 3.77Å; F81-W84 AromaticContact CD1-CH2 3.95Å; F81-W84 HydrophobicContact CD1-CH2 3.95Å; F81-W84 AromaticContact CD1-CZ2 3.49Å; F81-W84 HydrophobicContact CD1-CZ2 3.49Å; F81-W84 VanDerWaalsContact CD1-CZ2 3.49Å; F81-W84 HydrophobicContact CE1-CZ2 4.45Å; F81-W84 AromaticContact CG-CZ2 3.96Å; F81-W84 HydrophobicContact CG-CZ2 3.96Å; F81-W84 PolarHBondContact O-NE1 3.11Å
85	G	92.6	Very high	89.8	Confident	27 Å²	27	70.4 Å²	70.4	28%	0.278	44%	0.435	S	S	.	.			trans	-67.7	160.7	161.8	0	0	0	0	0	110.9	C76 G87	C76-G85 PolarHBondContact O-N 3.01Å; G85-G87 PolarHBondContact O-N 3.39Å
86	Q	93.9	Very high	89.5	Confident	187 Å²	187	71.7 Å²	71.7	87%	0.874	45%	0.448	S	S	*	.			trans	-61.9	-17.6	179.1	-66.8	-64.6	-50.8	0	0	113.8
87	G	95	Very high	89.2	Confident	26 Å²	26	74.9 Å²	74.9	27%	0.268	47%	0.468	S	S	.	.			trans	82.4	152.8	-173.6	0	0	0	0	0	112.2	Y74 Y75 G85	Y74-G87 CarbonylContact O-C 3.48Å; Y74-G87 VanDerWaalsContact O-CA 3.26Å; Y74-G87 WeakPolarHBondContact O-CA 3.48Å; Y75-G87 VanDerWaalsContact CE1-CA 3.46Å; G85-G87 PolarHBondContact O-N 3.39Å
88	T	96.7	Very high	89	Confident	94 Å²	94	79.2 Å²	79.2	58%	0.577	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.1	176.9	-61.2	0	0	0	0	109.1	V73 Y74 V90	V73-T88 WeakPolarHBondContact CA-O 3.49Å; Y74-T88 PolarHBondContact N-O 2.64Å; Y74-T88 PolarHBondContact O-N 3.22Å; T88-V90 PolarHBondContact O-N 3.16Å
89	L	96.1	Very high	89.1	Confident	101 Å²	101	83.4 Å²	83.4	53%	0.529	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.7	170.8	179.3	63.7	0	0	0	109.3	V73	V73-L89 HydrophobicContact CG2-CB 4.48Å; V73-L89 HydrophobicContact CG2-CD1 4.07Å
90	V	95.3	Very high	89.9	Confident	43 Å²	43	87.1 Å²	87.1	26%	0.261	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.4	168.5	178.9	0	0	0	0	107.1	S71 A72 Y74 T88 V92	S71-V90 CarbonylContact C-O 3.56Å; S71-V90 VanDerWaalsContact CA-O 3.26Å; S71-V90 WeakPolarHBondContact CA-O 3.49Å; A72-V90 PolarHBondContact N-O 2.85Å; A72-V90 PolarHBondContact O-N 3.26Å; Y74-V90 HydrophobicContact CD2-CB 3.87Å; Y74-V90 HydrophobicContact CD2-CG2 3.67Å; Y74-V90 HydrophobicContact CE2-CB 3.8Å; Y74-V90 HydrophobicContact CE2-CG1 4.49Å; Y74-V90 HydrophobicContact CE2-CG2 4.04Å; T88-V90 PolarHBondContact O-N 3.16Å; V90-V92 HydrophobicContact CG1-CG2 4.32Å
91	T	95.1	Very high	90.8	Very high	106 Å²	106	89.1 Å²	89.1	65%	0.65	53%	0.532	S	S	*	.			trans	-119.3	130.1	177.3	-54.4	0	0	0	0	109
92	V	94	Very high	91.8	Very high	28 Å²	28	89.1 Å²	89.1	17%	0.17	54%	0.543	C	S	.	.			trans	-120.1	117.2	-179.4	-173.7	0	0	0	0	107.4	L66 T67 S68 D70 S71 V90	L66-V92 HydrophobicContact CB-CG1 4.12Å; L66-V92 HydrophobicContact CB-CG2 3.95Å; L66-V92 HydrophobicContact CD1-CG2 3.98Å; T67-V92 WeakPolarHBondContact O-CB 3.29Å; T67-V92 WeakPolarHBondContact O-CG1 3.37Å; S68-V92 WeakPolarHBondContact CA-O 2.87Å; D70-V92 HydrophobicContact CB-CG2 4.46Å; S71-V92 PolarHBondContact OG-N 2.8Å; S71-V92 PolarHBondContact OG-O 2.95Å; V90-V92 HydrophobicContact CG1-CG2 4.32Å
93	S	90.8	Very high	92.5	Very high	109 Å²	109	90.1 Å²	90.1	76%	0.762	54%	0.535	S	S	*	.			trans	-97.4	149.9	174.1	56.5	0	0	0	0	110.6
94	S	81.1	Confident	92.9	Very high	176 Å²	176	90.7 Å²	90.7	100%	1.231	54%	0.544	S	S	*	.			trans	-71.7	0	170.5	56.8	0	0	0	0	112.7

Retrieved 94 of 94 residues in 25.9 ms (Link to these results)

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