X5J577_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J577, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 99 aa.

						>X5J577_MOUSE|X5J577
SCKASGYSFTDYNMNWVKQSNGKSLEWIGVINPNYGTTSYNQKFKGKATLTVDQSSSTAYMQLNSLTSEDSAVYYCARSGGNPPWFAYWGQGTLVTVSA
					

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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	97.1	Very high	93.6	Very high	107 Å²	107	68.9 Å²	68.9	75%	0.748	44%	0.435	S	S	*	.				0	165.4	0	51.1	0	0	0	0	109.1	A59 Y60	S1-A59 CarbonylContact C-O 3.55Å; S1-A59 WeakPolarHBondContact CA-O 3.34Å; S1-Y60 VanDerWaalsContact CB-CD1 3.48Å
2	C	97.3	Very high	93.5	Very high	17 Å²	17	68.9 Å²	68.9	12%	0.115	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	112.4	176.2	179.6	0	0	0	0	109	W16 T58 A59 C76	C2-W16 HydrophobicContact CB-CH2 3.74Å; C2-W16 HydrophobicContact CB-CZ2 4.03Å; C2-T58 WeakPolarHBondContact O-CA 3.33Å; C2-A59 PolarHBondContact N-O 3.01Å; C2-A59 PolarHBondContact O-N 3.22Å; C2-C76 HydrophobicContact CB-CB 3.4Å; C2-C76 VanDerWaalsContact CB-CB 3.4Å; C2-C76 WeakPolarHBondContact CB-SG 3.22Å; C2-C76 WeakPolarHBondContact SG-CB 3.5Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 3.41Å
3	K	96.9	Very high	93.6	Very high	152 Å²	152	67.7 Å²	67.7	66%	0.661	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.4	-179.3	-176.7	172.5	-177.7	177.1	0	110.1	S56 T58	K3-S56 WeakPolarHBondContact CE-O 3.44Å; K3-T58 HydrophobicContact CB-CG2 4.41Å
4	A	94.3	Very high	93.8	Very high	10 Å²	10	63.1 Å²	63.1	8%	0.083	38%	0.383	C	S	.	.			trans	-76.9	149.1	174.9	0	0	0	0	0	111.2	Y7 F9 S57	A4-Y7 HydrophobicContact CB-CE1 4Å; A4-Y7 HydrophobicContact CB-CE2 4.05Å; A4-Y7 VanDerWaalsContact CB-OH 3.29Å; A4-Y7 WeakPolarHBondContact CB-OH 3.42Å; A4-F9 HydrophobicContact CB-CB 4.09Å; A4-F9 HydrophobicContact CB-CD2 3.39Å; A4-F9 HydrophobicContact CB-CE2 4.06Å; A4-F9 HydrophobicContact CB-CG 3.98Å; A4-S57 PolarHBondContact N-O 2.94Å
5	S	92.6	Very high	94	Very high	102 Å²	102	59.5 Å²	59.5	71%	0.713	36%	0.36	S	S	*	.			trans	-149.6	148.1	174	60.7	0	0	0	0	110.5	Y7	S5-Y7 WeakPolarHBondContact O-CD1 3.44Å; S5-Y7 WeakPolarHBondContact O-CE1 3.27Å; S5-Y7 PolarHBondContact O-N 3.22Å
6	G	90.8	Very high	94.2	Very high	92 Å²	92	56.6 Å²	56.6	95%	0.948	34%	0.341	S	S	*	.	S	Bend	trans	77.9	12.6	175.9	0	0	0	0	0	115.8
7	Y	88.7	Confident	94.4	Very high	60 Å²	60	53.4 Å²	53.4	24%	0.235	32%	0.322	C	S	.	.	S	Bend	trans	-160.2	165.2	175	62.8	-86.7	0	0	0	111.7	A4 S5 F9 Y12 R78	A4-Y7 HydrophobicContact CB-CE1 4Å; A4-Y7 HydrophobicContact CB-CE2 4.05Å; A4-Y7 VanDerWaalsContact CB-OH 3.29Å; A4-Y7 WeakPolarHBondContact CB-OH 3.42Å; S5-Y7 WeakPolarHBondContact O-CD1 3.44Å; S5-Y7 WeakPolarHBondContact O-CE1 3.27Å; S5-Y7 PolarHBondContact O-N 3.22Å; Y7-F9 PolarHBondContact O-N 3.25Å; Y7-Y12 AromaticContact CD2-CD2 3.34Å; Y7-Y12 HydrophobicContact CD2-CD2 3.34Å; Y7-Y12 AromaticContact CD2-CE2 3.71Å; Y7-Y12 HydrophobicContact CD2-CE2 3.71Å; Y7-Y12 HydrophobicContact CD2-CG 4.31Å; Y7-Y12 AromaticContact CE2-CD2 3.68Å; Y7-Y12 HydrophobicContact CE2-CD2 3.68Å; Y7-Y12 HydrophobicContact CE2-CE2 4.44Å; Y7-Y12 HydrophobicContact CE2-CG 4.25Å; Y7-Y12 HydrophobicContact CG-CD2 4.28Å; Y7-Y12 HydrophobicContact CG-CE2 4.24Å; Y7-R78 VanDerWaalsContact CE2-CD 3.49Å; Y7-R78 HydrophobicContact CE2-CG 4.27Å; Y7-R78 WeakPolarHBondContact OH-CD 3.34Å
8	S	92.4	Very high	94.5	Very high	56 Å²	56	51.2 Å²	51.2	39%	0.392	31%	0.307	S	S	.	.			trans	-68.6	108.6	170.9	174.9	0	0	0	0	110	T10 D11	S8-T10 PolarHBondContact O-N 3.04Å; S8-T10 PolarHBondContact OG-OG1 2.94Å; S8-D11 VanDerWaalsContact CB-CG 3.45Å; S8-D11 VanDerWaalsContact CB-OD2 3.25Å; S8-D11 WeakPolarHBondContact CB-OD2 3.29Å; S8-D11 WeakPolarHBondContact O-CB 3.36Å; S8-D11 PolarHBondContact O-N 3.04Å; S8-D11 VanDerWaalsContact O-N 3.11Å; S8-D11 VanDerWaalsContact OG-CG 3.29Å; S8-D11 PolarHBondContact OG-OD1 3.2Å; S8-D11 PolarHBondContact OG-OD2 3.03Å
9	F	93.5	Very high	94.7	Very high	7 Å²	7	52.4 Å²	52.4	3%	0.031	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58.8	-31.9	-173.2	176.7	-130	0	0	0	113.6	A4 Y7 D11 M14 P33 V52 S57 A59	A4-F9 HydrophobicContact CB-CB 4.09Å; A4-F9 HydrophobicContact CB-CD2 3.39Å; A4-F9 HydrophobicContact CB-CE2 4.06Å; A4-F9 HydrophobicContact CB-CG 3.98Å; Y7-F9 PolarHBondContact O-N 3.25Å; F9-D11 VanDerWaalsContact C-N 3.28Å; F9-D11 PolarHBondContact O-N 3.15Å; F9-M14 HydrophobicContact CE2-CE 3.95Å; F9-P33 HydrophobicContact CD1-CB 3.89Å; F9-P33 HydrophobicContact CD1-CG 4.5Å; F9-P33 HydrophobicContact CD2-CB 4.35Å; F9-P33 HydrophobicContact CD2-CG 4.12Å; F9-P33 HydrophobicContact CE1-CB 3.7Å; F9-P33 HydrophobicContact CE1-CG 4.18Å; F9-P33 HydrophobicContact CE2-CB 4.14Å; F9-P33 HydrophobicContact CE2-CG 3.72Å; F9-P33 HydrophobicContact CG-CB 4.25Å; F9-P33 HydrophobicContact CZ-CB 3.82Å; F9-P33 HydrophobicContact CZ-CG 3.77Å; F9-P33 WeakPolarHBondContact O-CG 3.28Å; F9-V52 HydrophobicContact CD1-CG2 4.4Å; F9-V52 HydrophobicContact CE1-CG2 3.26Å; F9-V52 HydrophobicContact CZ-CG2 3.58Å; F9-S57 VanDerWaalsContact CD1-CA 3.43Å; F9-A59 HydrophobicContact CE2-CB 4.49Å; F9-A59 HydrophobicContact CZ-CB 4.02Å
10	T	94.1	Very high	94.7	Very high	43 Å²	43	50.4 Å²	50.4	26%	0.264	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-72.2	-17.1	-179.7	48.8	0	0	0	0	114.2	S8 Y12	S8-T10 PolarHBondContact O-N 3.04Å; S8-T10 PolarHBondContact OG-OG1 2.94Å; T10-Y12 VanDerWaalsContact C-N 3.27Å; T10-Y12 PolarHBondContact O-N 3.25Å
11	D	91.7	Very high	94.4	Very high	112 Å²	112	55.7 Å²	55.7	60%	0.599	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-81.5	-9.5	-175.1	-61.2	7.3	0	0	0	112.6	S8 F9	S8-D11 VanDerWaalsContact CB-CG 3.45Å; S8-D11 VanDerWaalsContact CB-OD2 3.25Å; S8-D11 WeakPolarHBondContact CB-OD2 3.29Å; S8-D11 WeakPolarHBondContact O-CB 3.36Å; S8-D11 PolarHBondContact O-N 3.04Å; S8-D11 VanDerWaalsContact O-N 3.11Å; S8-D11 VanDerWaalsContact OG-CG 3.29Å; S8-D11 PolarHBondContact OG-OD1 3.2Å; S8-D11 PolarHBondContact OG-OD2 3.03Å; F9-D11 VanDerWaalsContact C-N 3.28Å; F9-D11 PolarHBondContact O-N 3.15Å
12	Y	92.3	Very high	93.9	Very high	69 Å²	69	54.5 Å²	54.5	27%	0.271	33%	0.33	S	S	.	.	S	Bend	trans	-132.9	147.3	-171.5	-63.7	-85	0	0	0	112	Y7 T10 P33 R78	Y7-Y12 AromaticContact CD2-CD2 3.34Å; Y7-Y12 HydrophobicContact CD2-CD2 3.34Å; Y7-Y12 AromaticContact CD2-CE2 3.71Å; Y7-Y12 HydrophobicContact CD2-CE2 3.71Å; Y7-Y12 HydrophobicContact CD2-CG 4.31Å; Y7-Y12 AromaticContact CE2-CD2 3.68Å; Y7-Y12 HydrophobicContact CE2-CD2 3.68Å; Y7-Y12 HydrophobicContact CE2-CE2 4.44Å; Y7-Y12 HydrophobicContact CE2-CG 4.25Å; Y7-Y12 HydrophobicContact CG-CD2 4.28Å; Y7-Y12 HydrophobicContact CG-CE2 4.24Å; T10-Y12 VanDerWaalsContact C-N 3.27Å; T10-Y12 PolarHBondContact O-N 3.25Å; Y12-P33 WeakPolarHBondContact O-CD 3.49Å; Y12-P33 VanDerWaalsContact O-CG 3.22Å; Y12-P33 WeakPolarHBondContact O-CG 3.36Å; Y12-R78 HydrophobicContact CD1-CG 3.95Å; Y12-R78 HydrophobicContact CG-CG 3.77Å
13	N	94.7	Very high	93.5	Very high	53 Å²	53	60 Å²	60	28%	0.283	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	145.9	171.9	-66	-54.6	0	0	0	110.7	V30 N32 S79	N13-V30 HydrophobicContact CB-CG2 3.6Å; N13-N32 WeakPolarHBondContact OD1-CA 3.07Å; N13-N32 VanDerWaalsContact OD1-CB 3.31Å; N13-N32 WeakPolarHBondContact OD1-CB 3.4Å; N13-N32 PolarHBondContact OD1-ND2 3.36Å; N13-S79 PolarHBondContact N-O 2.79Å; N13-S79 PolarHBondContact O-N 3.32Å
14	M	96.6	Very high	93.2	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.02	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.6	174.1	-171.2	61.6	68.7	0	0	110.5	F9 V30 I31 A59 C76	F9-M14 HydrophobicContact CE2-CE 3.95Å; M14-V30 CarbonylContact O-C 3.58Å; M14-V30 WeakPolarHBondContact O-CA 3.38Å; M14-V30 WeakPolarHBondContact O-CG2 3.39Å; M14-I31 HydrophobicContact CB-CG2 4.04Å; M14-I31 PolarHBondContact N-O 2.81Å; M14-I31 PolarHBondContact O-N 2.58Å; M14-A59 HydrophobicContact CB-CB 4.06Å; M14-A59 HydrophobicContact CG-CB 3.64Å; M14-C76 HydrophobicContact SD-CB 3.8Å
15	N	96.9	Very high	93.3	Very high	8 Å²	8	61 Å²	61	4%	0.043	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	150.6	-178	-58.9	-97.4	0	0	0	110.2	W27 G29 V30 C76 A77 S79 F86	N15-W27 PolarHBondContact OD1-NE1 2.99Å; N15-G29 CarbonylContact C-O 3.47Å; N15-G29 WeakPolarHBondContact CA-O 3.23Å; N15-V30 WeakPolarHBondContact OD1-CB 3.46Å; N15-V30 VanDerWaalsContact OD1-CG2 3.25Å; N15-V30 WeakPolarHBondContact OD1-CG2 3.4Å; N15-C76 CarbonylContact O-C 3.45Å; N15-C76 WeakPolarHBondContact O-CA 3.49Å; N15-A77 HydrophobicContact CB-CB 4.39Å; N15-A77 WeakPolarHBondContact CB-O 2.89Å; N15-A77 PolarHBondContact N-O 2.93Å; N15-A77 PolarHBondContact ND2-O 2.92Å; N15-A77 VanDerWaalsContact ND2-O 3.08Å; N15-A77 PolarHBondContact O-N 2.98Å; N15-S79 PolarHBondContact ND2-OG 2.89Å; N15-F86 HydrophobicContact CB-CD1 4.28Å; N15-F86 HydrophobicContact CB-CE1 3.67Å; N15-F86 HydrophobicContact CB-CZ 4.32Å; N15-F86 WeakPolarHBondContact ND2-CE1 3.25Å; N15-F86 WeakPolarHBondContact OD1-CE1 3.22Å
16	W	97.9	Very high	93.4	Very high	13 Å²	13	58.1 Å²	58.1	5%	0.049	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.3	175.5	-67	91.4	0	0	0	109.8	C2 I28 G29 L50 A59 M61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.74Å; C2-W16 HydrophobicContact CB-CZ2 4.03Å; W16-I28 HydrophobicContact CB-CB 4.09Å; W16-I28 HydrophobicContact CB-CD1 4.27Å; W16-I28 WeakPolarHBondContact O-CB 3.45Å; W16-I28 PolarHBondContact O-N 2.79Å; W16-G29 PolarHBondContact N-O 3.49Å; W16-L50 VanDerWaalsContact CD1-CD2 3.45Å; W16-L50 HydrophobicContact CG-CD2 4.02Å; W16-A59 HydrophobicContact CZ2-CB 4.26Å; W16-M61 HydrophobicContact CB-SD 3.79Å; W16-M61 HydrophobicContact CD2-CB 3.62Å; W16-M61 HydrophobicContact CD2-CE 4.22Å; W16-M61 HydrophobicContact CD2-CG 4.37Å; W16-M61 HydrophobicContact CD2-SD 3.95Å; W16-M61 HydrophobicContact CE3-CB 3.88Å; W16-M61 HydrophobicContact CE3-CE 3.62Å; W16-M61 HydrophobicContact CE3-SD 3.98Å; W16-M61 HydrophobicContact CG-CB 4.14Å; W16-M61 HydrophobicContact CG-SD 3.89Å; W16-M61 HydrophobicContact CH2-CB 4.08Å; W16-M61 HydrophobicContact CZ2-CB 3.84Å; W16-M61 HydrophobicContact CZ3-CB 4.1Å; W16-M61 HydrophobicContact CZ3-CE 4.12Å; W16-Y75 WeakPolarHBondContact CA-O 3.47Å; W16-C76 HydrophobicContact CE3-CB 4.25Å; W16-C76 HydrophobicContact CH2-CB 4.3Å; W16-C76 HydrophobicContact CZ3-CB 4.14Å
17	V	97.4	Very high	93.7	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.7	-173.4	-176.2	0	0	0	0	109.4	L25 E26 Y74 Y75 W89	V17-L25 HydrophobicContact CG1-CB 3.81Å; V17-L25 HydrophobicContact CG1-CD2 3.8Å; V17-L25 HydrophobicContact CG1-CG 4.32Å; V17-E26 CarbonylContact C-O 3.47Å; V17-E26 WeakPolarHBondContact CA-O 3.49Å; V17-E26 WeakPolarHBondContact CG1-O 3.49Å; V17-Y74 WeakPolarHBondContact O-CA 3.4Å; V17-Y75 PolarHBondContact N-O 3.19Å; V17-Y75 PolarHBondContact O-N 3.11Å; V17-W89 HydrophobicContact CB-CH2 4.01Å; V17-W89 HydrophobicContact CB-CZ3 3.76Å; V17-W89 HydrophobicContact CG1-CH2 3.99Å; V17-W89 HydrophobicContact CG1-CZ3 4Å; V17-W89 HydrophobicContact CG2-CH2 3.67Å; V17-W89 HydrophobicContact CG2-CZ3 3.8Å
18	K	96.8	Very high	94.1	Very high	13 Å²	13	54.7 Å²	54.7	6%	0.057	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.7	175.6	-175.8	-176.5	177.8	-168.9	0	109.5	S20 E26 I28 F44 E69 D70 A72 Y74	K18-S20 VanDerWaalsContact CE-OG 3.29Å; K18-S20 WeakPolarHBondContact CE-OG 3.38Å; K18-E26 HydrophobicContact CB-CB 4.47Å; K18-E26 PolarHBondContact N-O 2.87Å; K18-E26 PolarHBondContact O-N 3.1Å; K18-I28 HydrophobicContact CB-CD1 4.01Å; K18-I28 HydrophobicContact CB-CG1 4.16Å; K18-F44 HydrophobicContact CB-CZ 4.37Å; K18-F44 HydrophobicContact CD-CE1 4.03Å; K18-F44 HydrophobicContact CD-CZ 4.04Å; K18-E69 PolarHBondContact NZ-O 3.35Å; K18-D70 IonicContact NZ-OD1 2.79Å; K18-D70 PolarHBondContact NZ-OD1 3.44Å; K18-A72 HydrophobicContact CD-CB 4.1Å; K18-A72 VanDerWaalsContact CE-CB 3.46Å; K18-A72 HydrophobicContact CG-CB 3.48Å; K18-A72 VanDerWaalsContact CG-CB 3.48Å; K18-Y74 HydrophobicContact CB-CD1 4.23Å; K18-Y74 HydrophobicContact CB-CE1 4.02Å; K18-Y74 HydrophobicContact CD-CE1 4.16Å; K18-Y74 HydrophobicContact CG-CD1 4.36Å; K18-Y74 HydrophobicContact CG-CE1 3.86Å
19	Q	96.9	Very high	94.3	Very high	74 Å²	74	52 Å²	52	35%	0.346	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	103.5	166.2	-164.1	179.3	15.8	0	0	109.9	L25 A72 V73 Y75	Q19-L25 HydrophobicContact CB-CD2 3.81Å; Q19-L25 HydrophobicContact CG-CD2 4.02Å; Q19-A72 WeakPolarHBondContact O-CA 3.32Å; Q19-A72 VanDerWaalsContact O-CB 3.27Å; Q19-A72 WeakPolarHBondContact O-CB 3.31Å; Q19-V73 PolarHBondContact N-O 3.4Å; Q19-V73 PolarHBondContact O-N 3.49Å; Q19-Y75 HydrophobicContact CB-CD2 4.46Å; Q19-Y75 HydrophobicContact CB-CE2 3.77Å; Q19-Y75 PolarHBondContact OE1-OH 2.99Å
20	S	94.6	Very high	94.5	Very high	12 Å²	12	53 Å²	53	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	153.3	171.3	-77.2	0	0	0	0	110.7	K18 G22 K23	K18-S20 VanDerWaalsContact CE-OG 3.29Å; K18-S20 WeakPolarHBondContact CE-OG 3.38Å; S20-G22 PolarHBondContact O-N 2.92Å; S20-K23 PolarHBondContact O-N 2.93Å
21	N	89.5	Confident	94.6	Very high	162 Å²	162	51 Å²	51	87%	0.866	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	124.6	-178.2	-170.1	12.4	0	0	0	111.5	K23	N21-K23 PolarHBondContact O-N 2.81Å
22	G	86.8	Confident	94.8	Very high	82 Å²	82	47 Å²	47	85%	0.845	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	10.1	-177.7	0	0	0	0	0	115.7	S20	S20-G22 PolarHBondContact O-N 2.92Å
23	K	88.5	Confident	95	Very high	134 Å²	134	43.8 Å²	43.8	58%	0.583	24%	0.244	S	C	*	.	S	Bend	trans	-110.8	162.1	-179.8	-60.6	-166.9	-175.9	177.1	0	112.6	S20 N21	S20-K23 PolarHBondContact O-N 2.93Å; N21-K23 PolarHBondContact O-N 2.81Å
24	S	91.1	Very high	95	Very high	92 Å²	92	44.6 Å²	44.6	64%	0.643	25%	0.249	S	C	*	.			trans	-64.9	161.5	172	57.8	0	0	0	0	112	E26	S24-E26 PolarHBondContact O-N 2.84Å
25	L	94.9	Very high	94.9	Very high	89 Å²	89	52.5 Å²	52.5	47%	0.466	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	130.9	171.3	-67.7	169.2	0	0	0	110.8	V17 Q19 Y75 W89	V17-L25 HydrophobicContact CG1-CB 3.81Å; V17-L25 HydrophobicContact CG1-CD2 3.8Å; V17-L25 HydrophobicContact CG1-CG 4.32Å; Q19-L25 HydrophobicContact CB-CD2 3.81Å; Q19-L25 HydrophobicContact CG-CD2 4.02Å; L25-Y75 HydrophobicContact CD2-CD2 4.39Å; L25-Y75 HydrophobicContact CD2-CE2 4.4Å; L25-W89 HydrophobicContact CD1-CH2 4.09Å
26	E	95.8	Very high	94.9	Very high	42 Å²	42	53.8 Å²	53.8	20%	0.196	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.8	175.5	-67.9	-170	91.1	0	0	109.8	V17 K18 S24 I28 K43 F44	V17-E26 CarbonylContact C-O 3.47Å; V17-E26 WeakPolarHBondContact CA-O 3.49Å; V17-E26 WeakPolarHBondContact CG1-O 3.49Å; K18-E26 HydrophobicContact CB-CB 4.47Å; K18-E26 PolarHBondContact N-O 2.87Å; K18-E26 PolarHBondContact O-N 3.1Å; S24-E26 PolarHBondContact O-N 2.84Å; E26-I28 PolarHBondContact O-N 2.79Å; E26-K43 IonicContact OE1-NZ 3.46Å; E26-K43 PolarHBondContact OE1-NZ 2.94Å; E26-F44 HydrophobicContact CB-CE2 4.36Å; E26-F44 HydrophobicContact CB-CZ 4.39Å
27	W	96.2	Very high	94.8	Very high	81 Å²	81	57.3 Å²	57.3	31%	0.307	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.3	174.9	-178.8	81.8	0	0	0	110.3	N15 G29 V30 N41 F86	N15-W27 PolarHBondContact OD1-NE1 2.99Å; W27-G29 VanDerWaalsContact CZ2-C 3.4Å; W27-G29 VanDerWaalsContact CZ2-CA 3.46Å; W27-G29 PolarHBondContact NE1-O 2.83Å; W27-V30 HydrophobicContact CH2-CG1 4.34Å; W27-V30 HydrophobicContact CZ2-CB 3.77Å; W27-V30 HydrophobicContact CZ2-CG1 3.69Å; W27-N41 HydrophobicContact CE3-CB 3.82Å; W27-N41 HydrophobicContact CZ3-CB 4.04Å; W27-N41 WeakPolarHBondContact O-CB 3.32Å; W27-N41 PolarHBondContact O-ND2 2.9Å; W27-F86 AromaticContact CD1-CZ 3.97Å
28	I	97.3	Very high	94.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-49.7	-178.1	-60.7	174.4	0	0	0	109.8	W16 K18 E26 N41 F44 A48 M61 Y74	W16-I28 HydrophobicContact CB-CB 4.09Å; W16-I28 HydrophobicContact CB-CD1 4.27Å; W16-I28 WeakPolarHBondContact O-CB 3.45Å; W16-I28 PolarHBondContact O-N 2.79Å; K18-I28 HydrophobicContact CB-CD1 4.01Å; K18-I28 HydrophobicContact CB-CG1 4.16Å; E26-I28 PolarHBondContact O-N 2.79Å; I28-N41 PolarHBondContact O-N 3.13Å; I28-F44 HydrophobicContact CB-CD2 4.27Å; I28-F44 HydrophobicContact CB-CG 4.2Å; I28-F44 HydrophobicContact CG1-CD1 4.11Å; I28-F44 HydrophobicContact CG1-CD2 4.22Å; I28-F44 HydrophobicContact CG1-CE1 4.01Å; I28-F44 HydrophobicContact CG1-CE2 4.11Å; I28-F44 HydrophobicContact CG1-CG 4.21Å; I28-F44 HydrophobicContact CG1-CZ 4.01Å; I28-F44 HydrophobicContact CG2-CB 3.76Å; I28-F44 HydrophobicContact CG2-CD1 4.05Å; I28-F44 HydrophobicContact CG2-CD2 4.34Å; I28-F44 HydrophobicContact CG2-CG 3.8Å; I28-A48 HydrophobicContact CG2-CB 3.77Å; I28-M61 HydrophobicContact CD1-CE 4.14Å; I28-M61 HydrophobicContact CD1-SD 3.69Å; I28-M61 HydrophobicContact CG2-SD 4.04Å; I28-Y74 HydrophobicContact CD1-CD1 3.69Å; I28-Y74 HydrophobicContact CD1-CE1 3.78Å
29	G	97.1	Very high	94.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	176.9	-174.3	0	0	0	0	0	112.6	N15 W16 W27 S39	N15-G29 CarbonylContact C-O 3.47Å; N15-G29 WeakPolarHBondContact CA-O 3.23Å; W16-G29 PolarHBondContact N-O 3.49Å; W27-G29 VanDerWaalsContact CZ2-C 3.4Å; W27-G29 VanDerWaalsContact CZ2-CA 3.46Å; W27-G29 PolarHBondContact NE1-O 2.83Å; G29-S39 CarbonylContact C-O 3.55Å; G29-S39 WeakPolarHBondContact CA-O 3.45Å
30	V	96.8	Very high	94.8	Very high	26 Å²	26	62.1 Å²	62.1	16%	0.158	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.9	179	65.8	0	0	0	0	109.7	N13 M14 N15 W27 T38 S39	N13-V30 HydrophobicContact CB-CG2 3.6Å; M14-V30 CarbonylContact O-C 3.58Å; M14-V30 WeakPolarHBondContact O-CA 3.38Å; M14-V30 WeakPolarHBondContact O-CG2 3.39Å; N15-V30 WeakPolarHBondContact OD1-CB 3.46Å; N15-V30 VanDerWaalsContact OD1-CG2 3.25Å; N15-V30 WeakPolarHBondContact OD1-CG2 3.4Å; W27-V30 HydrophobicContact CH2-CG1 4.34Å; W27-V30 HydrophobicContact CZ2-CB 3.77Å; W27-V30 HydrophobicContact CZ2-CG1 3.69Å; V30-T38 CarbonylContact O-C 3.59Å; V30-T38 VanDerWaalsContact O-CA 3.26Å; V30-T38 WeakPolarHBondContact O-CA 3.49Å; V30-S39 PolarHBondContact N-O 3.46Å; V30-S39 PolarHBondContact O-N 2.84Å
31	I	97.3	Very high	94.9	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.6	167.8	-174.2	164.9	0	0	0	109.4	M14 P33 T37 T38 L50 V52 A59	M14-I31 HydrophobicContact CB-CG2 4.04Å; M14-I31 PolarHBondContact N-O 2.81Å; M14-I31 PolarHBondContact O-N 2.58Å; I31-P33 WeakPolarHBondContact O-CD 3.21Å; I31-T37 WeakPolarHBondContact CA-O 3.39Å; I31-T38 HydrophobicContact CB-CG2 4.13Å; I31-T38 HydrophobicContact CD1-CG2 3.93Å; I31-T38 HydrophobicContact CG1-CG2 3.92Å; I31-L50 HydrophobicContact CB-CB 4.11Å; I31-L50 HydrophobicContact CB-CD1 4.38Å; I31-L50 HydrophobicContact CD1-CB 4.29Å; I31-L50 HydrophobicContact CG2-CB 4.43Å; I31-V52 HydrophobicContact CD1-CB 3.97Å; I31-V52 HydrophobicContact CD1-CG1 4.1Å; I31-A59 HydrophobicContact CG2-CB 4.45Å
32	N	96.1	Very high	95.1	Very high	30 Å²	30	63.1 Å²	63.1	16%	0.16	35%	0.349	C	S	.	.			trans	-83.1	114.9	167.6	-175.9	-70.6	0	0	0	108.8	N13 N34 Y35 G36 T37	N13-N32 WeakPolarHBondContact OD1-CA 3.07Å; N13-N32 VanDerWaalsContact OD1-CB 3.31Å; N13-N32 WeakPolarHBondContact OD1-CB 3.4Å; N13-N32 PolarHBondContact OD1-ND2 3.36Å; N32-N34 VanDerWaalsContact C-N 3.28Å; N32-N34 PolarHBondContact O-N 2.97Å; N32-N34 WeakPolarHBondContact OD1-CA 2.99Å; N32-N34 VanDerWaalsContact OD1-CB 3.25Å; N32-N34 WeakPolarHBondContact OD1-CB 3.27Å; N32-N34 PolarHBondContact OD1-N 3.1Å; N32-Y35 WeakPolarHBondContact OD1-CD2 3.44Å; N32-Y35 PolarHBondContact OD1-N 2.84Å; N32-G36 VanDerWaalsContact O-CA 3.22Å; N32-G36 WeakPolarHBondContact O-CA 3.01Å; N32-G36 PolarHBondContact O-N 3.41Å; N32-T37 WeakPolarHBondContact CB-OG1 3.14Å; N32-T37 PolarHBondContact N-O 2.7Å
33	P	95.9	Very high	95.4	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.6	-177.7	-25.9	38.6	0	0	0	114.4	F9 Y12 I31 V52 Q54	F9-P33 HydrophobicContact CD1-CB 3.89Å; F9-P33 HydrophobicContact CD1-CG 4.5Å; F9-P33 HydrophobicContact CD2-CB 4.35Å; F9-P33 HydrophobicContact CD2-CG 4.12Å; F9-P33 HydrophobicContact CE1-CB 3.7Å; F9-P33 HydrophobicContact CE1-CG 4.18Å; F9-P33 HydrophobicContact CE2-CB 4.14Å; F9-P33 HydrophobicContact CE2-CG 3.72Å; F9-P33 HydrophobicContact CG-CB 4.25Å; F9-P33 HydrophobicContact CZ-CB 3.82Å; F9-P33 HydrophobicContact CZ-CG 3.77Å; F9-P33 WeakPolarHBondContact O-CG 3.28Å; Y12-P33 WeakPolarHBondContact O-CD 3.49Å; Y12-P33 VanDerWaalsContact O-CG 3.22Å; Y12-P33 WeakPolarHBondContact O-CG 3.36Å; I31-P33 WeakPolarHBondContact O-CD 3.21Å; P33-V52 HydrophobicContact CB-CG2 3.95Å; P33-Q54 PolarHBondContact O-NE2 3.39Å
34	N	95.2	Very high	95.7	Very high	71 Å²	71	60.1 Å²	60.1	38%	0.38	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-48.8	179.6	-168.8	17.4	0	0	0	111.7	N32 Q54	N32-N34 VanDerWaalsContact C-N 3.28Å; N32-N34 PolarHBondContact O-N 2.97Å; N32-N34 WeakPolarHBondContact OD1-CA 2.99Å; N32-N34 VanDerWaalsContact OD1-CB 3.25Å; N32-N34 WeakPolarHBondContact OD1-CB 3.27Å; N32-N34 PolarHBondContact OD1-N 3.1Å; N34-Q54 PolarHBondContact O-NE2 2.84Å; N34-Q54 VanDerWaalsContact O-NE2 3.13Å
35	Y	94.6	Very high	95.7	Very high	169 Å²	169	62.5 Å²	62.5	66%	0.663	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-9.8	-174.4	-55.5	-63.6	0	0	0	114.2	N32 T37	N32-Y35 WeakPolarHBondContact OD1-CD2 3.44Å; N32-Y35 PolarHBondContact OD1-N 2.84Å; Y35-T37 PolarHBondContact O-N 2.03Å
36	G	95.3	Very high	95.6	Very high	35 Å²	35	61.7 Å²	61.7	36%	0.361	33%	0.325	S	S	.	.			trans	67	8.5	-173.3	0	0	0	0	0	114	N32	N32-G36 VanDerWaalsContact O-CA 3.22Å; N32-G36 WeakPolarHBondContact O-CA 3.01Å; N32-G36 PolarHBondContact O-N 3.41Å
37	T	96	Very high	95.5	Very high	88 Å²	88	62.1 Å²	62.1	54%	0.54	33%	0.326	S	S	.	.			trans	-73	136.3	-177.9	51.6	0	0	0	0	110.8	I31 N32 Y35	I31-T37 WeakPolarHBondContact CA-O 3.39Å; N32-T37 WeakPolarHBondContact CB-OG1 3.14Å; N32-T37 PolarHBondContact N-O 2.7Å; Y35-T37 PolarHBondContact O-N 2.03Å
38	T	97.5	Very high	95.6	Very high	56 Å²	56	58.4 Å²	58.4	34%	0.344	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.7	-175.7	59.7	0	0	0	0	111.8	V30 I31 Y40 L50	V30-T38 CarbonylContact O-C 3.59Å; V30-T38 VanDerWaalsContact O-CA 3.26Å; V30-T38 WeakPolarHBondContact O-CA 3.49Å; I31-T38 HydrophobicContact CB-CG2 4.13Å; I31-T38 HydrophobicContact CD1-CG2 3.93Å; I31-T38 HydrophobicContact CG1-CG2 3.92Å; T38-Y40 HydrophobicContact CG2-CE2 4.5Å; T38-Y40 VanDerWaalsContact OG1-CE2 3.31Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.29Å; T38-L50 HydrophobicContact CG2-CB 3.97Å
39	S	96.7	Very high	95.6	Very high	71 Å²	71	61.1 Å²	61.1	50%	0.497	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.6	165.1	-70.9	0	0	0	0	109.6	G29 V30	G29-S39 CarbonylContact C-O 3.55Å; G29-S39 WeakPolarHBondContact CA-O 3.45Å; V30-S39 PolarHBondContact N-O 3.46Å; V30-S39 PolarHBondContact O-N 2.84Å
40	Y	97.4	Very high	95.6	Very high	63 Å²	63	61.5 Å²	61.5	25%	0.247	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.1	-173.5	-64.2	-90.9	0	0	0	110.8	T38 A48 L50	T38-Y40 HydrophobicContact CG2-CE2 4.5Å; T38-Y40 VanDerWaalsContact OG1-CE2 3.31Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.29Å; Y40-A48 HydrophobicContact CE1-CB 4.27Å; Y40-A48 VanDerWaalsContact CE1-O 3.26Å; Y40-A48 WeakPolarHBondContact CE1-O 3.42Å; Y40-L50 HydrophobicContact CE1-CD1 4.07Å; Y40-L50 HydrophobicContact CE1-CG 3.69Å; Y40-L50 PolarHBondContact OH-N 3.22Å
41	N	96.1	Very high	95.7	Very high	47 Å²	47	63.6 Å²	63.6	25%	0.251	34%	0.344	S	S	.	.			trans	-70.4	138.2	157.7	-178.7	-27	0	0	0	109	W27 I28 K43 F44 K45	W27-N41 HydrophobicContact CE3-CB 3.82Å; W27-N41 HydrophobicContact CZ3-CB 4.04Å; W27-N41 WeakPolarHBondContact O-CB 3.32Å; W27-N41 PolarHBondContact O-ND2 2.9Å; I28-N41 PolarHBondContact O-N 3.13Å; N41-K43 PolarHBondContact O-N 2.82Å; N41-K43 VanDerWaalsContact O-N 3.13Å; N41-K43 PolarHBondContact OD1-N 2.8Å; N41-K43 VanDerWaalsContact OD1-N 3.1Å; N41-F44 HydrophobicContact CB-CD2 4.04Å; N41-F44 PolarHBondContact O-N 3Å; N41-K45 PolarHBondContact O-N 2.97Å
42	Q	95.2	Very high	95.7	Very high	148 Å²	148	65.4 Å²	65.4	69%	0.692	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-53.6	-35.6	-178.2	-67.7	-67.1	0.3	0	0	112.9	F44 K45	Q42-F44 PolarHBondContact O-N 3.08Å; Q42-K45 PolarHBondContact O-N 3.32Å
43	K	92.3	Very high	95.8	Very high	143 Å²	143	66.5 Å²	66.5	62%	0.622	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-60	-27.9	177.4	-68.6	-175.2	-179.1	-175	0	114.1	E26 N41	E26-K43 IonicContact OE1-NZ 3.46Å; E26-K43 PolarHBondContact OE1-NZ 2.94Å; N41-K43 PolarHBondContact O-N 2.82Å; N41-K43 VanDerWaalsContact O-N 3.13Å; N41-K43 PolarHBondContact OD1-N 2.8Å; N41-K43 VanDerWaalsContact OD1-N 3.1Å
44	F	94.1	Very high	95.8	Very high	11 Å²	11	71.1 Å²	71.1	5%	0.048	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-109.4	-2.9	-174.5	-62.4	-84.3	0	0	0	112.8	K18 E26 I28 N41 Q42 G46 K47 A48	K18-F44 HydrophobicContact CB-CZ 4.37Å; K18-F44 HydrophobicContact CD-CE1 4.03Å; K18-F44 HydrophobicContact CD-CZ 4.04Å; E26-F44 HydrophobicContact CB-CE2 4.36Å; E26-F44 HydrophobicContact CB-CZ 4.39Å; I28-F44 HydrophobicContact CB-CD2 4.27Å; I28-F44 HydrophobicContact CB-CG 4.2Å; I28-F44 HydrophobicContact CG1-CD1 4.11Å; I28-F44 HydrophobicContact CG1-CD2 4.22Å; I28-F44 HydrophobicContact CG1-CE1 4.01Å; I28-F44 HydrophobicContact CG1-CE2 4.11Å; I28-F44 HydrophobicContact CG1-CG 4.21Å; I28-F44 HydrophobicContact CG1-CZ 4.01Å; I28-F44 HydrophobicContact CG2-CB 3.76Å; I28-F44 HydrophobicContact CG2-CD1 4.05Å; I28-F44 HydrophobicContact CG2-CD2 4.34Å; I28-F44 HydrophobicContact CG2-CG 3.8Å; N41-F44 HydrophobicContact CB-CD2 4.04Å; N41-F44 PolarHBondContact O-N 3Å; Q42-F44 PolarHBondContact O-N 3.08Å; F44-G46 PolarHBondContact O-N 2.83Å; F44-K47 PolarHBondContact O-N 2.93Å; F44-A48 HydrophobicContact CB-CB 4.48Å; F44-A48 PolarHBondContact O-N 2.84Å
45	K	92.9	Very high	95.8	Very high	141 Å²	141	72.9 Å²	72.9	61%	0.613	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-62.7	125.2	175.8	-166.2	174.6	-177.7	-179.6	0	109.2	N41 Q42 K47	N41-K45 PolarHBondContact O-N 2.97Å; Q42-K45 PolarHBondContact O-N 3.32Å; K45-K47 PolarHBondContact O-N 3.31Å
46	G	91.3	Very high	95.9	Very high	72 Å²	72	66.5 Å²	66.5	74%	0.742	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-15.8	-174.6	0	0	0	0	0	114.8	F44	F44-G46 PolarHBondContact O-N 2.83Å
47	K	94.6	Very high	96	Very high	52 Å²	52	66.7 Å²	66.7	23%	0.226	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-38.4	175.1	-163.6	172	-165.6	167.9	0	112.6	F44 K45 L63 N64 D70	F44-K47 PolarHBondContact O-N 2.93Å; K45-K47 PolarHBondContact O-N 3.31Å; K47-L63 WeakPolarHBondContact O-CA 3.5Å; K47-N64 WeakPolarHBondContact CG-O 3.49Å; K47-N64 PolarHBondContact O-N 2.92Å; K47-D70 WeakPolarHBondContact CE-OD1 3.43Å; K47-D70 WeakPolarHBondContact CE-OD2 3.38Å; K47-D70 IonicContact NZ-OD1 2.7Å; K47-D70 PolarHBondContact NZ-OD1 2.94Å; K47-D70 IonicContact NZ-OD2 2.58Å; K47-D70 PolarHBondContact NZ-OD2 3.41Å
48	A	96.9	Very high	96.1	Very high	3 Å²	3	63 Å²	63	3%	0.025	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.6	176.9	0	0	0	0	0	111	I28 Y40 F44 M61 Q62 L63	I28-A48 HydrophobicContact CG2-CB 3.77Å; Y40-A48 HydrophobicContact CE1-CB 4.27Å; Y40-A48 VanDerWaalsContact CE1-O 3.26Å; Y40-A48 WeakPolarHBondContact CE1-O 3.42Å; F44-A48 HydrophobicContact CB-CB 4.48Å; F44-A48 PolarHBondContact O-N 2.84Å; A48-M61 HydrophobicContact CB-CG 4.37Å; A48-Q62 CarbonylContact C-O 3.48Å; A48-Q62 WeakPolarHBondContact CA-O 3.29Å; A48-L63 HydrophobicContact CB-CD2 4.01Å
49	T	97.9	Very high	96.1	Very high	56 Å²	56	60.3 Å²	60.3	34%	0.344	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.9	168	-56.6	0	0	0	0	108.3	T51 M61 Q62	T49-T51 HydrophobicContact CG2-CG2 4.29Å; T49-M61 WeakPolarHBondContact O-CA 3.44Å; T49-Q62 PolarHBondContact N-O 2.87Å; T49-Q62 PolarHBondContact O-N 2.97Å
50	L	98.3	Very high	96.2	Very high	8 Å²	8	61 Å²	61	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.4	178.5	-51.7	-176	0	0	0	109.9	W16 I31 T38 Y40 Y60 M61	W16-L50 VanDerWaalsContact CD1-CD2 3.45Å; W16-L50 HydrophobicContact CG-CD2 4.02Å; I31-L50 HydrophobicContact CB-CB 4.11Å; I31-L50 HydrophobicContact CB-CD1 4.38Å; I31-L50 HydrophobicContact CD1-CB 4.29Å; I31-L50 HydrophobicContact CG2-CB 4.43Å; T38-L50 HydrophobicContact CG2-CB 3.97Å; Y40-L50 HydrophobicContact CE1-CD1 4.07Å; Y40-L50 HydrophobicContact CE1-CG 3.69Å; Y40-L50 PolarHBondContact OH-N 3.22Å; L50-Y60 WeakPolarHBondContact CA-O 3.05Å; L50-M61 HydrophobicContact CD2-CB 3.69Å; L50-M61 HydrophobicContact CD2-CG 3.64Å; L50-M61 HydrophobicContact CD2-SD 4.26Å
51	T	98.2	Very high	96.2	Very high	70 Å²	70	59.5 Å²	59.5	43%	0.429	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	167.8	175.6	64.5	0	0	0	0	110.7	T49 Y60	T49-T51 HydrophobicContact CG2-CG2 4.29Å; T51-Y60 PolarHBondContact N-O 2.84Å; T51-Y60 PolarHBondContact O-N 2.84Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.39Å
52	V	97.8	Very high	96.3	Very high	39 Å²	39	62.7 Å²	62.7	24%	0.236	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.4	-178.3	67.8	0	0	0	0	110.8	F9 I31 P33	F9-V52 HydrophobicContact CD1-CG2 4.4Å; F9-V52 HydrophobicContact CE1-CG2 3.26Å; F9-V52 HydrophobicContact CZ-CG2 3.58Å; I31-V52 HydrophobicContact CD1-CB 3.97Å; I31-V52 HydrophobicContact CD1-CG1 4.1Å; P33-V52 HydrophobicContact CB-CG2 3.95Å
53	D	97.3	Very high	96.3	Very high	53 Å²	53	57.3 Å²	57.3	28%	0.283	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	106.2	164.9	173.7	13.1	0	0	0	108.3	S55 S56 S57 T58 Y60	D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 PolarHBondContact O-N 2.91Å; D53-S55 WeakPolarHBondContact OD1-CB 3.22Å; D53-S55 PolarHBondContact OD1-N 2.98Å; D53-S55 PolarHBondContact OD1-OG 3.29Å; D53-S55 PolarHBondContact OD2-OG 3Å; D53-S56 WeakPolarHBondContact OD2-CB 3.43Å; D53-S56 PolarHBondContact OD2-OG 3.13Å; D53-S57 PolarHBondContact O-N 3.33Å; D53-S57 VanDerWaalsContact O-N 3.16Å; D53-T58 PolarHBondContact N-O 2.87Å; D53-T58 PolarHBondContact O-N 3.49Å; D53-Y60 HydrophobicContact CB-CE2 3.91Å
54	Q	95.8	Very high	96.4	Very high	97 Å²	97	53.1 Å²	53.1	45%	0.453	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.6	-180	-66.8	179.3	-0.9	0	0	111.7	P33 N34 S56 S57	P33-Q54 PolarHBondContact O-NE2 3.39Å; N34-Q54 PolarHBondContact O-NE2 2.84Å; N34-Q54 VanDerWaalsContact O-NE2 3.13Å; Q54-S56 VanDerWaalsContact C-N 3.32Å; Q54-S56 PolarHBondContact O-N 3.17Å; Q54-S57 PolarHBondContact O-N 3.2Å; Q54-S57 VanDerWaalsContact O-N 3.13Å
55	S	95.3	Very high	96.2	Very high	109 Å²	109	58 Å²	58	76%	0.762	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-37.6	-175.7	74.1	0	0	0	0	112.2	D53	D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 PolarHBondContact O-N 2.91Å; D53-S55 WeakPolarHBondContact OD1-CB 3.22Å; D53-S55 PolarHBondContact OD1-N 2.98Å; D53-S55 PolarHBondContact OD1-OG 3.29Å; D53-S55 PolarHBondContact OD2-OG 3Å
56	S	96.8	Very high	96.2	Very high	35 Å²	35	54.1 Å²	54.1	25%	0.245	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-0.6	176.1	69.4	0	0	0	0	113.7	K3 D53 Q54 T58	K3-S56 WeakPolarHBondContact CE-O 3.44Å; D53-S56 WeakPolarHBondContact OD2-CB 3.43Å; D53-S56 PolarHBondContact OD2-OG 3.13Å; Q54-S56 VanDerWaalsContact C-N 3.32Å; Q54-S56 PolarHBondContact O-N 3.17Å; S56-T58 VanDerWaalsContact C-N 3.27Å; S56-T58 PolarHBondContact O-N 2.94Å; S56-T58 PolarHBondContact O-OG1 2.87Å; S56-T58 VanDerWaalsContact OG-CB 3.32Å; S56-T58 WeakPolarHBondContact OG-CB 3.25Å; S56-T58 PolarHBondContact OG-OG1 2.77Å
57	S	96.9	Very high	96.3	Very high	39 Å²	39	53.8 Å²	53.8	27%	0.273	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	42.2	-172.1	-63.3	0	0	0	0	113	A4 F9 D53 Q54	A4-S57 PolarHBondContact N-O 2.94Å; F9-S57 VanDerWaalsContact CD1-CA 3.43Å; D53-S57 PolarHBondContact O-N 3.33Å; D53-S57 VanDerWaalsContact O-N 3.16Å; Q54-S57 PolarHBondContact O-N 3.2Å; Q54-S57 VanDerWaalsContact O-N 3.13Å
58	T	98.1	Very high	96.3	Very high	9 Å²	9	54.7 Å²	54.7	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.4	-173.8	-51.2	0	0	0	0	111.5	C2 K3 D53 S56 Y60	C2-T58 WeakPolarHBondContact O-CA 3.33Å; K3-T58 HydrophobicContact CB-CG2 4.41Å; D53-T58 PolarHBondContact N-O 2.87Å; D53-T58 PolarHBondContact O-N 3.49Å; S56-T58 VanDerWaalsContact C-N 3.27Å; S56-T58 PolarHBondContact O-N 2.94Å; S56-T58 PolarHBondContact O-OG1 2.87Å; S56-T58 VanDerWaalsContact OG-CB 3.32Å; S56-T58 WeakPolarHBondContact OG-CB 3.25Å; S56-T58 PolarHBondContact OG-OG1 2.77Å; T58-Y60 HydrophobicContact CG2-CD1 4.49Å; T58-Y60 HydrophobicContact CG2-CD2 4.21Å; T58-Y60 HydrophobicContact CG2-CE1 3.89Å; T58-Y60 HydrophobicContact CG2-CE2 3.56Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.12Å; T58-Y60 WeakPolarHBondContact O-CE2 3.35Å
59	A	98	Very high	96	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	148.3	166.3	0	0	0	0	0	110.5	S1 C2 F9 M14 W16 I31	S1-A59 CarbonylContact C-O 3.55Å; S1-A59 WeakPolarHBondContact CA-O 3.34Å; C2-A59 PolarHBondContact N-O 3.01Å; C2-A59 PolarHBondContact O-N 3.22Å; F9-A59 HydrophobicContact CE2-CB 4.49Å; F9-A59 HydrophobicContact CZ-CB 4.02Å; M14-A59 HydrophobicContact CB-CB 4.06Å; M14-A59 HydrophobicContact CG-CB 3.64Å; W16-A59 HydrophobicContact CZ2-CB 4.26Å; I31-A59 HydrophobicContact CG2-CB 4.45Å
60	Y	98.4	Very high	95.8	Very high	87 Å²	87	59.7 Å²	59.7	34%	0.341	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.7	178.4	-57.5	-98	0	0	0	110.2	S1 L50 T51 D53 T58	S1-Y60 VanDerWaalsContact CB-CD1 3.48Å; L50-Y60 WeakPolarHBondContact CA-O 3.05Å; T51-Y60 PolarHBondContact N-O 2.84Å; T51-Y60 PolarHBondContact O-N 2.84Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.39Å; D53-Y60 HydrophobicContact CB-CE2 3.91Å; T58-Y60 HydrophobicContact CG2-CD1 4.49Å; T58-Y60 HydrophobicContact CG2-CD2 4.21Å; T58-Y60 HydrophobicContact CG2-CE1 3.89Å; T58-Y60 HydrophobicContact CG2-CE2 3.56Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.12Å; T58-Y60 WeakPolarHBondContact O-CE2 3.35Å
61	M	98.1	Very high	95.7	Very high	30 Å²	30	61.1 Å²	61.1	15%	0.148	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.6	166.6	175.1	178.4	68.7	0	0	106.5	W16 I28 A48 T49 L50 L63 Y74	W16-M61 HydrophobicContact CB-SD 3.79Å; W16-M61 HydrophobicContact CD2-CB 3.62Å; W16-M61 HydrophobicContact CD2-CE 4.22Å; W16-M61 HydrophobicContact CD2-CG 4.37Å; W16-M61 HydrophobicContact CD2-SD 3.95Å; W16-M61 HydrophobicContact CE3-CB 3.88Å; W16-M61 HydrophobicContact CE3-CE 3.62Å; W16-M61 HydrophobicContact CE3-SD 3.98Å; W16-M61 HydrophobicContact CG-CB 4.14Å; W16-M61 HydrophobicContact CG-SD 3.89Å; W16-M61 HydrophobicContact CH2-CB 4.08Å; W16-M61 HydrophobicContact CZ2-CB 3.84Å; W16-M61 HydrophobicContact CZ3-CB 4.1Å; W16-M61 HydrophobicContact CZ3-CE 4.12Å; I28-M61 HydrophobicContact CD1-CE 4.14Å; I28-M61 HydrophobicContact CD1-SD 3.69Å; I28-M61 HydrophobicContact CG2-SD 4.04Å; A48-M61 HydrophobicContact CB-CG 4.37Å; T49-M61 WeakPolarHBondContact O-CA 3.44Å; L50-M61 HydrophobicContact CD2-CB 3.69Å; L50-M61 HydrophobicContact CD2-CG 3.64Å; L50-M61 HydrophobicContact CD2-SD 4.26Å; M61-L63 HydrophobicContact CE-CD1 3.95Å; M61-L63 HydrophobicContact CE-CD2 4.28Å; M61-L63 HydrophobicContact CE-CG 4.11Å; M61-L63 HydrophobicContact CG-CD2 4.27Å; M61-L63 HydrophobicContact CG-CG 4.29Å; M61-L63 HydrophobicContact SD-CD2 4.06Å; M61-L63 HydrophobicContact SD-CG 4.4Å; M61-Y74 HydrophobicContact CE-CD1 3.65Å; M61-Y74 HydrophobicContact CE-CE1 4.26Å; M61-Y74 HydrophobicContact CE-CG 4.28Å
62	Q	97.7	Very high	95.6	Very high	114 Å²	114	58 Å²	58	53%	0.533	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.8	168.4	179.6	175.6	-7.5	0	0	107.9	A48 T49 N64	A48-Q62 CarbonylContact C-O 3.48Å; A48-Q62 WeakPolarHBondContact CA-O 3.29Å; T49-Q62 PolarHBondContact N-O 2.87Å; T49-Q62 PolarHBondContact O-N 2.97Å; Q62-N64 PolarHBondContact NE2-OD1 3.03Å
63	L	95.7	Very high	95.6	Very high	36 Å²	36	57.9 Å²	57.9	19%	0.188	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.1	174	-67.3	168.3	0	0	0	108.5	K47 A48 M61 L66 Y74	K47-L63 WeakPolarHBondContact O-CA 3.5Å; A48-L63 HydrophobicContact CB-CD2 4.01Å; M61-L63 HydrophobicContact CE-CD1 3.95Å; M61-L63 HydrophobicContact CE-CD2 4.28Å; M61-L63 HydrophobicContact CE-CG 4.11Å; M61-L63 HydrophobicContact CG-CD2 4.27Å; M61-L63 HydrophobicContact CG-CG 4.29Å; M61-L63 HydrophobicContact SD-CD2 4.06Å; M61-L63 HydrophobicContact SD-CG 4.4Å; L63-L66 HydrophobicContact CB-CD1 3.98Å; L63-L66 HydrophobicContact CB-CD2 3.85Å; L63-L66 HydrophobicContact CB-CG 4.01Å; L63-L66 HydrophobicContact CD1-CD1 4.47Å; L63-L66 HydrophobicContact CD1-CD2 4.14Å; L63-L66 HydrophobicContact CG-CD2 4.46Å; L63-Y74 HydrophobicContact CD1-CD1 4.24Å; L63-Y74 HydrophobicContact CD1-CE1 3.68Å; L63-Y74 HydrophobicContact CD1-CE2 4.37Å
64	N	93.5	Very high	95.7	Very high	54 Å²	54	56 Å²	56	29%	0.289	32%	0.316	S	S	.	.			trans	-113.8	152.8	179.8	-59	-50.4	0	0	0	110.3	K47 Q62 L66	K47-N64 WeakPolarHBondContact CG-O 3.49Å; K47-N64 PolarHBondContact O-N 2.92Å; Q62-N64 PolarHBondContact NE2-OD1 3.03Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 2.91Å
65	S	91.4	Very high	95.8	Very high	113 Å²	113	53.4 Å²	53.4	79%	0.79	30%	0.303	S	S	*	.	S	Bend	trans	51.4	49.2	175.3	-53.2	0	0	0	0	113.4
66	L	92.7	Very high	95.8	Very high	60 Å²	60	49 Å²	49	31%	0.314	27%	0.271	S	S	.	.			trans	-70	141.2	179.2	-72.1	174.7	0	0	0	111.5	L63 N64 D70 V97	L63-L66 HydrophobicContact CB-CD1 3.98Å; L63-L66 HydrophobicContact CB-CD2 3.85Å; L63-L66 HydrophobicContact CB-CG 4.01Å; L63-L66 HydrophobicContact CD1-CD1 4.47Å; L63-L66 HydrophobicContact CD1-CD2 4.14Å; L63-L66 HydrophobicContact CG-CD2 4.46Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 2.91Å; L66-D70 WeakPolarHBondContact CA-OD2 3.47Å; L66-D70 HydrophobicContact CD2-CB 3.48Å; L66-D70 VanDerWaalsContact CD2-CB 3.48Å; L66-D70 WeakPolarHBondContact CD2-OD2 3.33Å; L66-V97 HydrophobicContact CB-CG1 4.33Å; L66-V97 HydrophobicContact CB-CG2 3.98Å; L66-V97 HydrophobicContact CD1-CG2 4.16Å
67	T	93.9	Very high	95.8	Very high	66 Å²	66	47.3 Å²	47.3	41%	0.405	26%	0.26	S	S	.	.			trans	-118.8	172	172.6	68.7	0	0	0	0	110.2	E69 D70 V97	T67-E69 PolarHBondContact O-N 2.88Å; T67-E69 VanDerWaalsContact O-N 3.13Å; T67-D70 PolarHBondContact N-OD2 3.2Å; T67-D70 WeakPolarHBondContact O-CB 3.34Å; T67-D70 PolarHBondContact O-N 2.93Å; T67-V97 WeakPolarHBondContact O-CB 3.22Å; T67-V97 WeakPolarHBondContact O-CG1 3.39Å
68	S	93.9	Very high	95.6	Very high	71 Å²	71	47.1 Å²	47.1	50%	0.497	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-56.8	-29	178	54.9	0	0	0	0	113.5	D70 S71 V97	S68-D70 PolarHBondContact O-N 2.84Å; S68-S71 WeakPolarHBondContact O-CB 3.26Å; S68-S71 PolarHBondContact O-N 2.95Å; S68-S71 VanDerWaalsContact O-N 3.15Å; S68-S71 PolarHBondContact O-OG 2.83Å; S68-V97 WeakPolarHBondContact CA-O 3.32Å
69	E	90.5	Very high	95.2	Very high	158 Å²	158	47 Å²	47	74%	0.738	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.8	-13.7	175.1	-59.3	-176.4	173	0	0	113.8	K18 T67 S71	K18-E69 PolarHBondContact NZ-O 3.35Å; T67-E69 PolarHBondContact O-N 2.88Å; T67-E69 VanDerWaalsContact O-N 3.13Å; E69-S71 VanDerWaalsContact C-N 3.32Å
70	D	93.3	Very high	94.3	Very high	6 Å²	6	48 Å²	48	3%	0.032	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-83.5	-8.7	174	-62.5	-55.2	0	0	0	114.2	K18 K47 L66 T67 S68 A72 Y74	K18-D70 IonicContact NZ-OD1 2.79Å; K18-D70 PolarHBondContact NZ-OD1 3.44Å; K47-D70 WeakPolarHBondContact CE-OD1 3.43Å; K47-D70 WeakPolarHBondContact CE-OD2 3.38Å; K47-D70 IonicContact NZ-OD1 2.7Å; K47-D70 PolarHBondContact NZ-OD1 2.94Å; K47-D70 IonicContact NZ-OD2 2.58Å; K47-D70 PolarHBondContact NZ-OD2 3.41Å; L66-D70 WeakPolarHBondContact CA-OD2 3.47Å; L66-D70 HydrophobicContact CD2-CB 3.48Å; L66-D70 VanDerWaalsContact CD2-CB 3.48Å; L66-D70 WeakPolarHBondContact CD2-OD2 3.33Å; T67-D70 PolarHBondContact N-OD2 3.2Å; T67-D70 WeakPolarHBondContact O-CB 3.34Å; T67-D70 PolarHBondContact O-N 2.93Å; S68-D70 PolarHBondContact O-N 2.84Å; D70-A72 WeakPolarHBondContact O-CB 3.26Å; D70-A72 PolarHBondContact O-N 2.84Å; D70-Y74 WeakPolarHBondContact O-CE2 3.49Å; D70-Y74 PolarHBondContact O-OH 3.17Å
71	S	95.8	Very high	92.8	Very high	38 Å²	38	47 Å²	47	27%	0.266	28%	0.279	S	S	.	.			trans	-57.8	115	175.5	-60.4	0	0	0	0	110.6	S68 E69 V95 V97	S68-S71 WeakPolarHBondContact O-CB 3.26Å; S68-S71 PolarHBondContact O-N 2.95Å; S68-S71 VanDerWaalsContact O-N 3.15Å; S68-S71 PolarHBondContact O-OG 2.83Å; E69-S71 VanDerWaalsContact C-N 3.32Å; S71-V95 VanDerWaalsContact CA-O 3.28Å; S71-V95 WeakPolarHBondContact CA-O 3.46Å; S71-V97 PolarHBondContact OG-N 3.35Å; S71-V97 PolarHBondContact OG-O 2.63Å
72	A	97.1	Very high	91.1	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	165.4	-169.8	0	0	0	0	0	111	K18 Q19 D70 Y74 V95	K18-A72 HydrophobicContact CD-CB 4.1Å; K18-A72 VanDerWaalsContact CE-CB 3.46Å; K18-A72 HydrophobicContact CG-CB 3.48Å; K18-A72 VanDerWaalsContact CG-CB 3.48Å; Q19-A72 WeakPolarHBondContact O-CA 3.32Å; Q19-A72 VanDerWaalsContact O-CB 3.27Å; Q19-A72 WeakPolarHBondContact O-CB 3.31Å; D70-A72 WeakPolarHBondContact O-CB 3.26Å; D70-A72 PolarHBondContact O-N 2.84Å; A72-Y74 HydrophobicContact CB-CD2 4.32Å; A72-Y74 HydrophobicContact CB-CE2 3.82Å; A72-Y74 WeakPolarHBondContact O-CD2 3.48Å; A72-V95 PolarHBondContact N-O 3.06Å; A72-V95 PolarHBondContact O-N 3.13Å
73	V	98	Very high	89.7	Confident	37 Å²	37	51.3 Å²	51.3	22%	0.224	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.4	163.6	-170.8	0	0	0	0	108.6	Q19 Y75 T93 L94	Q19-V73 PolarHBondContact N-O 3.4Å; Q19-V73 PolarHBondContact O-N 3.49Å; V73-Y75 HydrophobicContact CB-CE2 3.76Å; V73-Y75 HydrophobicContact CG1-CD2 4.28Å; V73-Y75 HydrophobicContact CG1-CE1 3.95Å; V73-Y75 HydrophobicContact CG1-CE2 3.54Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.25Å; V73-T93 WeakPolarHBondContact CA-O 3.38Å; V73-L94 HydrophobicContact CG2-CD1 4.18Å
74	Y	98.1	Very high	88.4	Confident	12 Å²	12	53.9 Å²	53.9	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.3	179.4	-71.2	-94.1	0	0	0	110.1	V17 K18 I28 M61 L63 D70 A72 G92 T93 V95	V17-Y74 WeakPolarHBondContact O-CA 3.4Å; K18-Y74 HydrophobicContact CB-CD1 4.23Å; K18-Y74 HydrophobicContact CB-CE1 4.02Å; K18-Y74 HydrophobicContact CD-CE1 4.16Å; K18-Y74 HydrophobicContact CG-CD1 4.36Å; K18-Y74 HydrophobicContact CG-CE1 3.86Å; I28-Y74 HydrophobicContact CD1-CD1 3.69Å; I28-Y74 HydrophobicContact CD1-CE1 3.78Å; M61-Y74 HydrophobicContact CE-CD1 3.65Å; M61-Y74 HydrophobicContact CE-CE1 4.26Å; M61-Y74 HydrophobicContact CE-CG 4.28Å; L63-Y74 HydrophobicContact CD1-CD1 4.24Å; L63-Y74 HydrophobicContact CD1-CE1 3.68Å; L63-Y74 HydrophobicContact CD1-CE2 4.37Å; D70-Y74 WeakPolarHBondContact O-CE2 3.49Å; D70-Y74 PolarHBondContact O-OH 3.17Å; A72-Y74 HydrophobicContact CB-CD2 4.32Å; A72-Y74 HydrophobicContact CB-CE2 3.82Å; A72-Y74 WeakPolarHBondContact O-CD2 3.48Å; Y74-G92 CarbonylContact O-C 3.44Å; Y74-G92 VanDerWaalsContact O-CA 3.23Å; Y74-G92 WeakPolarHBondContact O-CA 3.36Å; Y74-T93 PolarHBondContact N-O 2.76Å; Y74-T93 PolarHBondContact O-N 3.21Å; Y74-V95 HydrophobicContact CD2-CB 3.81Å; Y74-V95 HydrophobicContact CD2-CG2 3.64Å; Y74-V95 HydrophobicContact CE2-CB 3.76Å; Y74-V95 HydrophobicContact CE2-CG1 4.47Å; Y74-V95 HydrophobicContact CE2-CG2 4.04Å
75	Y	97.9	Very high	87.5	Confident	44 Å²	44	59.8 Å²	59.8	17%	0.173	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.7	-177.1	-59.1	-90.6	0	0	0	110.6	W16 V17 Q19 L25 V73 W89 G90	W16-Y75 WeakPolarHBondContact CA-O 3.47Å; V17-Y75 PolarHBondContact N-O 3.19Å; V17-Y75 PolarHBondContact O-N 3.11Å; Q19-Y75 HydrophobicContact CB-CD2 4.46Å; Q19-Y75 HydrophobicContact CB-CE2 3.77Å; Q19-Y75 PolarHBondContact OE1-OH 2.99Å; L25-Y75 HydrophobicContact CD2-CD2 4.39Å; L25-Y75 HydrophobicContact CD2-CE2 4.4Å; V73-Y75 HydrophobicContact CB-CE2 3.76Å; V73-Y75 HydrophobicContact CG1-CD2 4.28Å; V73-Y75 HydrophobicContact CG1-CE1 3.95Å; V73-Y75 HydrophobicContact CG1-CE2 3.54Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.25Å; Y75-W89 HydrophobicContact CD1-CE3 4.38Å; Y75-W89 HydrophobicContact CG-CE3 4.1Å; Y75-W89 HydrophobicContact CG-CZ3 4.22Å; Y75-G90 WeakPolarHBondContact CD1-O 3.46Å
76	C	96.9	Very high	86.9	Confident	16 Å²	16	58.6 Å²	58.6	11%	0.108	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	144.2	158.2	60.6	0	0	0	0	109.7	C2 M14 N15 W16 G90	C2-C76 HydrophobicContact CB-CB 3.4Å; C2-C76 VanDerWaalsContact CB-CB 3.4Å; C2-C76 WeakPolarHBondContact CB-SG 3.22Å; C2-C76 WeakPolarHBondContact SG-CB 3.5Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 3.41Å; M14-C76 HydrophobicContact SD-CB 3.8Å; N15-C76 CarbonylContact O-C 3.45Å; N15-C76 WeakPolarHBondContact O-CA 3.49Å; W16-C76 HydrophobicContact CE3-CB 4.25Å; W16-C76 HydrophobicContact CH2-CB 4.3Å; W16-C76 HydrophobicContact CZ3-CB 4.14Å; C76-G90 PolarHBondContact O-N 2.96Å
77	A	95.7	Very high	86.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.6	178.6	0	0	0	0	0	111.4	N15 F86 Y88 W89	N15-A77 HydrophobicContact CB-CB 4.39Å; N15-A77 WeakPolarHBondContact CB-O 2.89Å; N15-A77 PolarHBondContact N-O 2.93Å; N15-A77 PolarHBondContact ND2-O 2.92Å; N15-A77 VanDerWaalsContact ND2-O 3.08Å; N15-A77 PolarHBondContact O-N 2.98Å; A77-F86 HydrophobicContact CB-CB 4.3Å; A77-F86 HydrophobicContact CB-CD1 4.01Å; A77-F86 HydrophobicContact CB-CG 4.19Å; A77-Y88 CarbonylContact C-O 3.51Å; A77-Y88 VanDerWaalsContact CA-O 3.27Å; A77-Y88 WeakPolarHBondContact CA-O 3.31Å; A77-W89 HydrophobicContact CB-CD2 3.65Å; A77-W89 HydrophobicContact CB-CE3 3.85Å; A77-W89 HydrophobicContact CB-CG 4.14Å; A77-W89 HydrophobicContact CB-CH2 4.3Å; A77-W89 HydrophobicContact CB-CZ2 4.13Å; A77-W89 HydrophobicContact CB-CZ3 4.17Å
78	R	92.6	Very high	86	Confident	34 Å²	34	62.2 Å²	62.2	13%	0.128	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.3	174.4	-172.6	-175.4	81.4	174.4	8.4	109.5	Y7 Y12 F86 A87 Y88	Y7-R78 VanDerWaalsContact CE2-CD 3.49Å; Y7-R78 HydrophobicContact CE2-CG 4.27Å; Y7-R78 WeakPolarHBondContact OH-CD 3.34Å; Y12-R78 HydrophobicContact CD1-CG 3.95Å; Y12-R78 HydrophobicContact CG-CG 3.77Å; R78-F86 CarbonylContact O-C 3.57Å; R78-F86 WeakPolarHBondContact O-CA 3.33Å; R78-A87 PolarHBondContact O-N 3.13Å; R78-Y88 VanDerWaalsContact CZ-CD2 3.42Å; R78-Y88 PolarHBondContact N-O 3.5Å
79	S	89.8	Confident	86	Confident	8 Å²	8	63.7 Å²	63.7	6%	0.056	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.9	166.3	64.2	0	0	0	0	113	N13 N15 W85	N13-S79 PolarHBondContact N-O 2.79Å; N13-S79 PolarHBondContact O-N 3.32Å; N15-S79 PolarHBondContact ND2-OG 2.89Å; S79-W85 VanDerWaalsContact CA-O 3.22Å; S79-W85 WeakPolarHBondContact CA-O 3.42Å; S79-W85 VanDerWaalsContact CB-O 3.29Å; S79-W85 WeakPolarHBondContact CB-O 3.4Å
80	G	79.7	Confident	86.2	Confident	21 Å²	21	57.5 Å²	57.5	22%	0.216	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	172.6	175.4	0	0	0	0	0	111.7
81	G	67.4	Low	86.4	Confident	66 Å²	66	66 Å²	66	68%	0.68	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	172.5	-174.9	0	0	0	0	0	113.8	P83	G81-P83 CarbonylContact C-O 3.51Å; G81-P83 CarbonylContact O-C 3.57Å
82	N	61.9	Low	86.4	Confident	163 Å²	163	65.4 Å²	65.4	87%	0.872	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	109.9	172.6	-167.6	13.2	0	0	0	108.9
83	P	68.6	Low	86.4	Confident	70 Å²	70	69.8 Å²	69.8	46%	0.455	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	cis	-75.9	158.7	3.8	28.1	-29.6	0	0	0	113.2	G81 W85	G81-P83 CarbonylContact C-O 3.51Å; G81-P83 CarbonylContact O-C 3.57Å; P83-W85 HydrophobicContact CB-CZ2 4.49Å; P83-W85 HydrophobicContact CG-CZ2 3.6Å; P83-W85 PolarHBondContact O-N 3.39Å; P83-W85 PolarHBondContact O-NE1 2.6Å
84	P	68.3	Low	86.4	Confident	90 Å²	90	73.6 Å²	73.6	58%	0.584	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	115.4	-176.6	27.8	-32.9	0	0	0	111.5
85	W	74.6	Confident	86.3	Confident	179 Å²	179	75.1 Å²	75.1	68%	0.678	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	151.3	174.2	-54.1	104	0	0	0	111.2	S79 P83 A87	S79-W85 VanDerWaalsContact CA-O 3.22Å; S79-W85 WeakPolarHBondContact CA-O 3.42Å; S79-W85 VanDerWaalsContact CB-O 3.29Å; S79-W85 WeakPolarHBondContact CB-O 3.4Å; P83-W85 HydrophobicContact CB-CZ2 4.49Å; P83-W85 HydrophobicContact CG-CZ2 3.6Å; P83-W85 PolarHBondContact O-N 3.39Å; P83-W85 PolarHBondContact O-NE1 2.6Å; W85-A87 VanDerWaalsContact C-N 3.32Å; W85-A87 PolarHBondContact O-N 3.16Å
86	F	77.5	Confident	86.2	Confident	87 Å²	87	78 Å²	78	38%	0.382	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	88.4	168.3	-60.8	-45.8	0	0	0	109.7	N15 W27 A77 R78 W89	N15-F86 HydrophobicContact CB-CD1 4.28Å; N15-F86 HydrophobicContact CB-CE1 3.67Å; N15-F86 HydrophobicContact CB-CZ 4.32Å; N15-F86 WeakPolarHBondContact ND2-CE1 3.25Å; N15-F86 WeakPolarHBondContact OD1-CE1 3.22Å; W27-F86 AromaticContact CD1-CZ 3.97Å; A77-F86 HydrophobicContact CB-CB 4.3Å; A77-F86 HydrophobicContact CB-CD1 4.01Å; A77-F86 HydrophobicContact CB-CG 4.19Å; R78-F86 CarbonylContact O-C 3.57Å; R78-F86 WeakPolarHBondContact O-CA 3.33Å; F86-W89 HydrophobicContact CB-CZ2 3.96Å; F86-W89 HydrophobicContact CD2-CH2 4.33Å; F86-W89 AromaticContact CD2-CZ2 3.56Å; F86-W89 HydrophobicContact CD2-CZ2 3.56Å; F86-W89 HydrophobicContact CE2-CZ2 4.3Å; F86-W89 AromaticContact CG-CZ2 3.91Å; F86-W89 HydrophobicContact CG-CZ2 3.91Å
87	A	79.3	Confident	86.1	Confident	53 Å²	53	78.8 Å²	78.8	44%	0.438	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	-34.2	-174.5	0	0	0	0	0	112.4	R78 W85	R78-A87 PolarHBondContact O-N 3.13Å; W85-A87 VanDerWaalsContact C-N 3.32Å; W85-A87 PolarHBondContact O-N 3.16Å
88	Y	88.9	Confident	86	Confident	150 Å²	150	83.7 Å²	83.7	59%	0.588	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.1	140.8	-176.4	-68.1	-91	0	0	0	111.4	A77 R78	A77-Y88 CarbonylContact C-O 3.51Å; A77-Y88 VanDerWaalsContact CA-O 3.27Å; A77-Y88 WeakPolarHBondContact CA-O 3.31Å; R78-Y88 VanDerWaalsContact CZ-CD2 3.42Å; R78-Y88 PolarHBondContact N-O 3.5Å
89	W	94.4	Very high	85.4	Confident	101 Å²	101	89.8 Å²	89.8	38%	0.383	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.1	179.8	-69.8	75.2	0	0	0	110.6	V17 L25 Y75 A77 F86	V17-W89 HydrophobicContact CB-CH2 4.01Å; V17-W89 HydrophobicContact CB-CZ3 3.76Å; V17-W89 HydrophobicContact CG1-CH2 3.99Å; V17-W89 HydrophobicContact CG1-CZ3 4Å; V17-W89 HydrophobicContact CG2-CH2 3.67Å; V17-W89 HydrophobicContact CG2-CZ3 3.8Å; L25-W89 HydrophobicContact CD1-CH2 4.09Å; Y75-W89 HydrophobicContact CD1-CE3 4.38Å; Y75-W89 HydrophobicContact CG-CE3 4.1Å; Y75-W89 HydrophobicContact CG-CZ3 4.22Å; A77-W89 HydrophobicContact CB-CD2 3.65Å; A77-W89 HydrophobicContact CB-CE3 3.85Å; A77-W89 HydrophobicContact CB-CG 4.14Å; A77-W89 HydrophobicContact CB-CH2 4.3Å; A77-W89 HydrophobicContact CB-CZ2 4.13Å; A77-W89 HydrophobicContact CB-CZ3 4.17Å; F86-W89 HydrophobicContact CB-CZ2 3.96Å; F86-W89 HydrophobicContact CD2-CH2 4.33Å; F86-W89 AromaticContact CD2-CZ2 3.56Å; F86-W89 HydrophobicContact CD2-CZ2 3.56Å; F86-W89 HydrophobicContact CE2-CZ2 4.3Å; F86-W89 AromaticContact CG-CZ2 3.91Å; F86-W89 HydrophobicContact CG-CZ2 3.91Å
90	G	95.4	Very high	85.2	Confident	28 Å²	28	93.9 Å²	93.9	29%	0.289	55%	0.553	S	S	.	*			trans	-68.7	162.5	162.9	0	0	0	0	0	110.9	Y75 C76 G92	Y75-G90 WeakPolarHBondContact CD1-O 3.46Å; C76-G90 PolarHBondContact O-N 2.96Å; G90-G92 PolarHBondContact O-N 2.85Å; G90-G92 VanDerWaalsContact O-N 3.1Å
91	Q	95.9	Very high	85.5	Confident	185 Å²	185	97.7 Å²	97.7	86%	0.864	57%	0.571	S	S	*	*			trans	-64.4	-15.6	-180	-64	-60.2	-43.1	0	0	113.8
92	G	96.6	Very high	86.5	Confident	26 Å²	26	99.5 Å²	99.5	27%	0.268	57%	0.565	S	S	.	*			trans	85.4	155.8	-175.1	0	0	0	0	0	112.4	Y74 G90	Y74-G92 CarbonylContact O-C 3.44Å; Y74-G92 VanDerWaalsContact O-CA 3.23Å; Y74-G92 WeakPolarHBondContact O-CA 3.36Å; G90-G92 PolarHBondContact O-N 2.85Å; G90-G92 VanDerWaalsContact O-N 3.1Å
93	T	97.8	Very high	87.9	Confident	95 Å²	95	95.8 Å²	95.8	58%	0.583	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.5	175.3	-62.9	0	0	0	0	109	V73 Y74 V95	V73-T93 WeakPolarHBondContact CA-O 3.38Å; Y74-T93 PolarHBondContact N-O 2.76Å; Y74-T93 PolarHBondContact O-N 3.21Å; T93-V95 PolarHBondContact O-N 3.17Å
94	L	97.3	Very high	89.1	Confident	118 Å²	118	97.4 Å²	97.4	62%	0.618	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.6	124.9	172	179	63.5	0	0	0	109.1	V73	V73-L94 HydrophobicContact CG2-CD1 4.18Å
95	V	96.4	Very high	90.5	Very high	44 Å²	44	97.9 Å²	97.9	27%	0.267	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.1	124.8	167.4	179	0	0	0	0	106.8	S71 A72 Y74 T93 V97	S71-V95 VanDerWaalsContact CA-O 3.28Å; S71-V95 WeakPolarHBondContact CA-O 3.46Å; A72-V95 PolarHBondContact N-O 3.06Å; A72-V95 PolarHBondContact O-N 3.13Å; Y74-V95 HydrophobicContact CD2-CB 3.81Å; Y74-V95 HydrophobicContact CD2-CG2 3.64Å; Y74-V95 HydrophobicContact CE2-CB 3.76Å; Y74-V95 HydrophobicContact CE2-CG1 4.47Å; Y74-V95 HydrophobicContact CE2-CG2 4.04Å; T93-V95 PolarHBondContact O-N 3.17Å; V95-V97 HydrophobicContact CG1-CG2 4.3Å
96	T	96.3	Very high	91.7	Very high	105 Å²	105	92.1 Å²	92.1	64%	0.644	54%	0.541	S	S	*	.			trans	-115.2	130.4	176.9	-57	0	0	0	0	108.8
97	V	94.7	Very high	92.8	Very high	31 Å²	31	92.5 Å²	92.5	19%	0.188	55%	0.553	C	S	.	*			trans	-122.3	117	177.7	-174	0	0	0	0	106.9	L66 T67 S68 S71 V95	L66-V97 HydrophobicContact CB-CG1 4.33Å; L66-V97 HydrophobicContact CB-CG2 3.98Å; L66-V97 HydrophobicContact CD1-CG2 4.16Å; T67-V97 WeakPolarHBondContact O-CB 3.22Å; T67-V97 WeakPolarHBondContact O-CG1 3.39Å; S68-V97 WeakPolarHBondContact CA-O 3.32Å; S71-V97 PolarHBondContact OG-N 3.35Å; S71-V97 PolarHBondContact OG-O 2.63Å; V95-V97 HydrophobicContact CG1-CG2 4.3Å
98	S	92.2	Very high	93.9	Very high	104 Å²	104	95.8 Å²	95.8	73%	0.727	56%	0.563	S	S	*	*			trans	-97.7	159.8	172.9	58.7	0	0	0	0	110.5
99	A	80.7	Confident	94.3	Very high	162 Å²	162	90.8 Å²	90.8	100%	1.339	56%	0.561	S	S	*	*			trans	-69.9	0	171.7	0	0	0	0	0	111.9

Retrieved 99 of 99 residues in 20.1 ms (Link to these results)

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