X5J5M7_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5M7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 104 aa.

						>X5J5M7_MOUSE|X5J5M7
ISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARDGSSYDPYYWGQGTTLTVSSESQSF
					

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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	I	96.6	Very high	92.7	Very high	64 Å²	64	63.9 Å²	63.9	33%	0.328	42%	0.415	S	S	.	.				0	134.5	0	-53.9	-176	0	0	0	108.1	W17 Y61 M62 L64 Y75 T93	I1-W17 HydrophobicContact CB-CH2 4.27Å; I1-W17 HydrophobicContact CB-CZ3 4.04Å; I1-W17 HydrophobicContact CG2-CH2 3.87Å; I1-W17 HydrophobicContact CG2-CZ3 3.48Å; I1-W17 VanDerWaalsContact CG2-CZ3 3.48Å; I1-Y61 CarbonylContact O-C 3.56Å; I1-Y61 VanDerWaalsContact O-CA 3.3Å; I1-Y61 WeakPolarHBondContact O-CA 2.97Å; I1-M62 HydrophobicContact CD1-CE 3.8Å; I1-M62 PolarHBondContact N-O 2.82Å; I1-M62 PolarHBondContact O-N 2.88Å; I1-L64 HydrophobicContact CD1-CD1 4.35Å; I1-Y75 HydrophobicContact CD1-CD1 4.08Å; I1-Y75 HydrophobicContact CD1-CD2 4.04Å; I1-Y75 HydrophobicContact CD1-CG 3.62Å; I1-T93 HydrophobicContact CD1-CG2 4.2Å; I1-T93 HydrophobicContact CG2-CG2 3.74Å
2	S	97.7	Very high	92.6	Very high	79 Å²	79	63.7 Å²	63.7	55%	0.552	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.7	177	56.2	0	0	0	0	110.7	A60	S2-A60 CarbonylContact C-O 3.52Å; S2-A60 WeakPolarHBondContact CA-O 3.32Å
3	C	97	Very high	92.4	Very high	16 Å²	16	59.8 Å²	59.8	11%	0.108	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	111.1	176.3	177.6	0	0	0	0	109.1	W17 T59 A60 C77	C3-W17 HydrophobicContact CB-CH2 3.7Å; C3-W17 HydrophobicContact CB-CZ2 4.11Å; C3-W17 HydrophobicContact CB-CZ3 4.43Å; C3-T59 WeakPolarHBondContact O-CA 3.4Å; C3-A60 PolarHBondContact N-O 3Å; C3-A60 PolarHBondContact O-N 3.24Å; C3-C77 HydrophobicContact CB-CB 3.44Å; C3-C77 VanDerWaalsContact CB-CB 3.44Å; C3-C77 WeakPolarHBondContact CB-SG 3.25Å; C3-C77 WeakPolarHBondContact SG-CB 3.23Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.86Å
4	K	96.6	Very high	92.5	Very high	161 Å²	161	59.4 Å²	59.4	70%	0.7	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.3	179.2	-173.3	172.9	-176.7	177.4	0	110.1
5	A	93.4	Very high	92.7	Very high	10 Å²	10	55.7 Å²	55.7	8%	0.083	35%	0.354	C	S	.	.			trans	-80.6	150	175.2	0	0	0	0	0	111.5	Y8 F10 S58	A5-Y8 HydrophobicContact CB-CE1 3.75Å; A5-Y8 HydrophobicContact CB-CE2 4.29Å; A5-Y8 VanDerWaalsContact CB-CZ 3.5Å; A5-Y8 WeakPolarHBondContact CB-OH 3.43Å; A5-F10 HydrophobicContact CB-CB 4.11Å; A5-F10 HydrophobicContact CB-CD2 3.38Å; A5-F10 HydrophobicContact CB-CE2 4.08Å; A5-F10 HydrophobicContact CB-CG 4.01Å; A5-S58 WeakPolarHBondContact CB-O 3.18Å; A5-S58 PolarHBondContact N-O 2.86Å
6	S	91.1	Very high	92.9	Very high	103 Å²	103	52.9 Å²	52.9	72%	0.72	34%	0.336	S	S	*	.			trans	-150.4	153.2	172.4	59.9	0	0	0	0	109.8	Y8	S6-Y8 VanDerWaalsContact O-CD1 3.23Å; S6-Y8 WeakPolarHBondContact O-CD1 3.28Å; S6-Y8 PolarHBondContact O-N 3.27Å
7	G	87.4	Confident	93.2	Very high	91 Å²	91	49.9 Å²	49.9	94%	0.938	32%	0.317	S	S	*	.	S	Bend	trans	79.8	6.5	175	0	0	0	0	0	116.2
8	Y	84.8	Confident	93.4	Very high	56 Å²	56	47.6 Å²	47.6	22%	0.22	30%	0.302	C	S	.	.	S	Bend	trans	-154.6	168.3	175.3	66.3	-84.2	0	0	0	112.2	A5 S6 F10 M15 R79	A5-Y8 HydrophobicContact CB-CE1 3.75Å; A5-Y8 HydrophobicContact CB-CE2 4.29Å; A5-Y8 VanDerWaalsContact CB-CZ 3.5Å; A5-Y8 WeakPolarHBondContact CB-OH 3.43Å; S6-Y8 VanDerWaalsContact O-CD1 3.23Å; S6-Y8 WeakPolarHBondContact O-CD1 3.28Å; S6-Y8 PolarHBondContact O-N 3.27Å; Y8-F10 HydrophobicContact CE2-CB 4.44Å; Y8-F10 HydrophobicContact CE2-CD2 4.42Å; Y8-F10 PolarHBondContact O-N 2.81Å; Y8-M15 WeakPolarHBondContact OH-CE 3.48Å; Y8-R79 VanDerWaalsContact CD2-NE 3.34Å; Y8-R79 HydrophobicContact CE2-CG 4Å
9	A	89.6	Confident	93.6	Very high	58 Å²	58	45.1 Å²	45.1	48%	0.479	29%	0.286	S	S	.	.			trans	-73.5	91	175	0	0	0	0	0	111.1	S11 S12	A9-S11 VanDerWaalsContact C-N 3.28Å; A9-S11 PolarHBondContact O-N 2.7Å; A9-S12 VanDerWaalsContact CB-OG 3.25Å; A9-S12 WeakPolarHBondContact CB-OG 3.45Å; A9-S12 PolarHBondContact O-N 2.91Å; A9-S12 PolarHBondContact O-OG 3.2Å
10	F	92.3	Very high	93.8	Very high	5 Å²	5	46.6 Å²	46.6	2%	0.022	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-53.2	-39.5	-176.1	176	-112.5	0	0	0	114.2	A5 Y8 S12 S13 M15 P34 A53 S58 A60	A5-F10 HydrophobicContact CB-CB 4.11Å; A5-F10 HydrophobicContact CB-CD2 3.38Å; A5-F10 HydrophobicContact CB-CE2 4.08Å; A5-F10 HydrophobicContact CB-CG 4.01Å; Y8-F10 HydrophobicContact CE2-CB 4.44Å; Y8-F10 HydrophobicContact CE2-CD2 4.42Å; Y8-F10 PolarHBondContact O-N 2.81Å; F10-S12 PolarHBondContact O-N 3.12Å; F10-S12 VanDerWaalsContact O-N 3.12Å; F10-S13 PolarHBondContact O-N 2.88Å; F10-M15 HydrophobicContact CD2-CE 4.44Å; F10-M15 HydrophobicContact CE2-CE 4.01Å; F10-P34 HydrophobicContact CD1-CB 3.84Å; F10-P34 HydrophobicContact CD1-CG 4.1Å; F10-P34 HydrophobicContact CD2-CG 4.08Å; F10-P34 HydrophobicContact CE1-CB 3.47Å; F10-P34 VanDerWaalsContact CE1-CB 3.47Å; F10-P34 HydrophobicContact CE1-CG 3.67Å; F10-P34 HydrophobicContact CE2-CB 4.37Å; F10-P34 HydrophobicContact CE2-CG 3.64Å; F10-P34 HydrophobicContact CG-CB 4.47Å; F10-P34 HydrophobicContact CG-CG 4.32Å; F10-P34 HydrophobicContact CZ-CB 3.77Å; F10-P34 HydrophobicContact CZ-CG 3.41Å; F10-P34 VanDerWaalsContact CZ-CG 3.41Å; F10-P34 WeakPolarHBondContact O-CG 3.34Å; F10-A53 HydrophobicContact CE1-CB 4.13Å; F10-A53 HydrophobicContact CZ-CB 4.03Å; F10-S58 VanDerWaalsContact CD1-CA 3.47Å; F10-A60 HydrophobicContact CE2-CB 4.16Å; F10-A60 HydrophobicContact CZ-CB 3.94Å
11	S	93.4	Very high	93.9	Very high	60 Å²	60	47.9 Å²	47.9	42%	0.42	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-68.1	-6.4	178.4	53.6	0	0	0	0	114.9	A9 G35	A9-S11 VanDerWaalsContact C-N 3.28Å; A9-S11 PolarHBondContact O-N 2.7Å; S11-G35 WeakPolarHBondContact O-CA 3.24Å; S11-G35 PolarHBondContact O-N 2.98Å
12	S	91.1	Very high	93.7	Very high	61 Å²	61	50.3 Å²	50.3	43%	0.427	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-117.7	15.1	-176.4	69.2	0	0	0	0	113.8	A9 F10 Y33	A9-S12 VanDerWaalsContact CB-OG 3.25Å; A9-S12 WeakPolarHBondContact CB-OG 3.45Å; A9-S12 PolarHBondContact O-N 2.91Å; A9-S12 PolarHBondContact O-OG 3.2Å; F10-S12 PolarHBondContact O-N 3.12Å; F10-S12 VanDerWaalsContact O-N 3.12Å; S12-Y33 VanDerWaalsContact C-CE2 3.47Å; S12-Y33 WeakPolarHBondContact CA-OH 3.44Å
13	S	90.5	Very high	93.5	Very high	13 Å²	13	50.7 Å²	50.7	9%	0.091	33%	0.325	C	S	.	.	S	Bend	trans	-140	138.6	-176.9	-66.3	0	0	0	0	111.4	F10 P34 R79	F10-S13 PolarHBondContact O-N 2.88Å; S13-P34 WeakPolarHBondContact O-CD 3.31Å; S13-R79 PolarHBondContact OG-NE 3.02Å; S13-R79 VanDerWaalsContact OG-NE 3.15Å; S13-R79 PolarHBondContact OG-NH2 3.45Å
14	W	93.6	Very high	93.3	Very high	55 Å²	55	56.6 Å²	56.6	21%	0.208	35%	0.349	C	S	.	.			trans	-66.9	135.5	172.6	-70.6	98.7	0	0	0	110.9	R31 Y33 D38 R79 D80	W14-R31 HydrophobicContact CD2-CG 4.25Å; W14-R31 HydrophobicContact CE3-CB 4.05Å; W14-R31 HydrophobicContact CE3-CG 3.46Å; W14-R31 VanDerWaalsContact CE3-CG 3.46Å; W14-R31 HydrophobicContact CZ3-CG 3.8Å; W14-Y33 AromaticContact CD2-CD2 3.99Å; W14-Y33 HydrophobicContact CD2-CD2 3.99Å; W14-Y33 HydrophobicContact CD2-CG 4.33Å; W14-Y33 AromaticContact CE2-CD2 3.91Å; W14-Y33 HydrophobicContact CG-CD2 4.08Å; W14-Y33 HydrophobicContact CZ2-CD2 4.46Å; W14-Y33 HydrophobicContact CZ2-CG 4.28Å; W14-Y33 VanDerWaalsContact CZ3-CB 3.5Å; W14-Y33 AromaticContact NE1-CD2 3.92Å; W14-D38 HydrophobicContact CH2-CB 3.92Å; W14-D38 WeakPolarHBondContact CH2-OD2 3.35Å; W14-D38 WeakPolarHBondContact CZ3-O 3.42Å; W14-R79 WeakPolarHBondContact O-CA 3.39Å; W14-D80 HydrophobicContact CB-CB 3.94Å; W14-D80 VanDerWaalsContact CB-OD2 3.31Å; W14-D80 WeakPolarHBondContact CB-OD2 3.38Å; W14-D80 PolarHBondContact O-N 2.74Å
15	M	95.4	Very high	93.2	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.02	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.5	170.1	-174.8	64.2	69.7	0	0	109.2	Y8 F10 R31 I32 A60 C77	Y8-M15 WeakPolarHBondContact OH-CE 3.48Å; F10-M15 HydrophobicContact CD2-CE 4.44Å; F10-M15 HydrophobicContact CE2-CE 4.01Å; M15-R31 CarbonylContact O-C 3.51Å; M15-R31 WeakPolarHBondContact O-CA 3.46Å; M15-R31 WeakPolarHBondContact O-CB 3.37Å; M15-I32 HydrophobicContact CB-CG2 4.11Å; M15-I32 PolarHBondContact N-O 3.2Å; M15-I32 PolarHBondContact O-N 2.92Å; M15-A60 HydrophobicContact CB-CB 4.21Å; M15-A60 HydrophobicContact CG-CB 3.73Å; M15-C77 HydrophobicContact CG-CB 4.49Å; M15-C77 HydrophobicContact SD-CB 3.81Å
16	N	96.1	Very high	93.3	Very high	11 Å²	11	55.8 Å²	55.8	6%	0.059	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	150.5	176.2	-64.1	-86.1	0	0	0	111.1	W28 G30 R31 C77 A78 D80	N16-W28 PolarHBondContact OD1-NE1 3.36Å; N16-G30 WeakPolarHBondContact CA-O 3.38Å; N16-R31 HydrophobicContact CB-CB 4.49Å; N16-R31 WeakPolarHBondContact OD1-CB 3.41Å; N16-C77 CarbonylContact O-C 3.49Å; N16-C77 VanDerWaalsContact O-CA 3.23Å; N16-C77 WeakPolarHBondContact O-CA 3.3Å; N16-A78 WeakPolarHBondContact CA-O 3.49Å; N16-A78 HydrophobicContact CB-CB 4.41Å; N16-A78 WeakPolarHBondContact CB-O 3.43Å; N16-A78 PolarHBondContact N-O 3.08Å; N16-A78 PolarHBondContact ND2-O 2.88Å; N16-A78 PolarHBondContact O-N 2.88Å; N16-D80 PolarHBondContact ND2-OD1 2.97Å
17	W	97.7	Very high	93.5	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.008	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.1	171.2	-67.8	93.3	0	0	0	109.9	I1 C3 I29 G30 L51 A60 M62 F76 C77	I1-W17 HydrophobicContact CB-CH2 4.27Å; I1-W17 HydrophobicContact CB-CZ3 4.04Å; I1-W17 HydrophobicContact CG2-CH2 3.87Å; I1-W17 HydrophobicContact CG2-CZ3 3.48Å; I1-W17 VanDerWaalsContact CG2-CZ3 3.48Å; C3-W17 HydrophobicContact CB-CH2 3.7Å; C3-W17 HydrophobicContact CB-CZ2 4.11Å; C3-W17 HydrophobicContact CB-CZ3 4.43Å; W17-I29 HydrophobicContact CB-CB 4.15Å; W17-I29 HydrophobicContact CB-CD1 4.3Å; W17-I29 WeakPolarHBondContact O-CB 3.42Å; W17-I29 PolarHBondContact O-N 2.97Å; W17-G30 PolarHBondContact N-O 3.42Å; W17-L51 VanDerWaalsContact CD1-CD2 3.48Å; W17-L51 HydrophobicContact CG-CD2 4.05Å; W17-A60 HydrophobicContact CZ2-CB 4.14Å; W17-M62 HydrophobicContact CB-CE 4.4Å; W17-M62 HydrophobicContact CB-SD 3.82Å; W17-M62 HydrophobicContact CD2-CB 3.71Å; W17-M62 HydrophobicContact CD2-CE 4.17Å; W17-M62 HydrophobicContact CD2-SD 4.09Å; W17-M62 HydrophobicContact CE3-CB 4Å; W17-M62 HydrophobicContact CE3-CE 3.71Å; W17-M62 HydrophobicContact CE3-SD 4.25Å; W17-M62 HydrophobicContact CG-CB 4.2Å; W17-M62 HydrophobicContact CG-CE 4.5Å; W17-M62 HydrophobicContact CG-SD 3.94Å; W17-M62 HydrophobicContact CH2-CB 4.19Å; W17-M62 HydrophobicContact CZ2-CB 3.92Å; W17-M62 HydrophobicContact CZ3-CB 4.24Å; W17-M62 HydrophobicContact CZ3-CE 4.34Å; W17-F76 WeakPolarHBondContact CA-O 3.41Å; W17-C77 HydrophobicContact CE3-CB 4.17Å; W17-C77 HydrophobicContact CH2-CB 4.27Å; W17-C77 HydrophobicContact CZ3-CB 4.02Å
18	V	97.4	Very high	94	Very high	8 Å²	8	52.4 Å²	52.4	5%	0.048	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.5	-173.8	-175.8	0	0	0	0	109.3	L26 E27 Y75 F76 W89	V18-L26 HydrophobicContact CG1-CB 3.8Å; V18-L26 HydrophobicContact CG1-CD2 3.8Å; V18-L26 HydrophobicContact CG1-CG 4.3Å; V18-E27 CarbonylContact C-O 3.6Å; V18-E27 WeakPolarHBondContact CA-O 3.49Å; V18-E27 WeakPolarHBondContact CG1-O 3.49Å; V18-Y75 CarbonylContact O-C 3.57Å; V18-Y75 WeakPolarHBondContact O-CA 3.32Å; V18-F76 PolarHBondContact N-O 3.5Å; V18-F76 PolarHBondContact O-N 3.14Å; V18-W89 HydrophobicContact CB-CH2 4.12Å; V18-W89 HydrophobicContact CB-CZ3 3.85Å; V18-W89 HydrophobicContact CG1-CH2 4.12Å; V18-W89 HydrophobicContact CG1-CZ3 4.09Å; V18-W89 HydrophobicContact CG2-CH2 3.76Å; V18-W89 HydrophobicContact CG2-CZ3 3.87Å
19	K	96.8	Very high	94.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141	176.2	-177.9	-176.1	176.3	-173.2	0	110	E27 I29 F45 E70 D71 A73 V74 Y75	K19-E27 PolarHBondContact N-O 2.74Å; K19-E27 PolarHBondContact O-N 2.92Å; K19-I29 HydrophobicContact CB-CD1 4Å; K19-I29 HydrophobicContact CB-CG1 4.23Å; K19-F45 HydrophobicContact CD-CE1 4.26Å; K19-F45 HydrophobicContact CD-CZ 4.4Å; K19-E70 PolarHBondContact NZ-O 3.13Å; K19-D71 WeakPolarHBondContact CE-O 3.23Å; K19-D71 VanDerWaalsContact NZ-CA 3.35Å; K19-D71 IonicContact NZ-OD1 2.7Å; K19-D71 PolarHBondContact NZ-OD1 3.22Å; K19-A73 HydrophobicContact CD-CB 3.94Å; K19-A73 HydrophobicContact CG-CB 3.37Å; K19-V74 CarbonylContact C-O 3.58Å; K19-Y75 HydrophobicContact CB-CD1 4.07Å; K19-Y75 HydrophobicContact CB-CE1 3.91Å; K19-Y75 HydrophobicContact CD-CE1 3.82Å; K19-Y75 WeakPolarHBondContact CD-OH 3.48Å; K19-Y75 WeakPolarHBondContact CE-OH 3.41Å; K19-Y75 HydrophobicContact CG-CD1 4.19Å; K19-Y75 HydrophobicContact CG-CE1 3.74Å; K19-Y75 HydrophobicContact CG-CE2 4.36Å
20	Q	97.5	Very high	94.9	Very high	75 Å²	75	47 Å²	47	35%	0.35	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	117.2	170.3	-164.6	-178.9	24.9	0	0	110.6	L26 A73 V74 F76	Q20-L26 HydrophobicContact CB-CD2 3.95Å; Q20-L26 HydrophobicContact CG-CD2 4.14Å; Q20-A73 WeakPolarHBondContact O-CA 3.32Å; Q20-A73 VanDerWaalsContact O-CB 3.24Å; Q20-A73 WeakPolarHBondContact O-CB 2.98Å; Q20-V74 PolarHBondContact N-O 2.95Å; Q20-V74 PolarHBondContact O-N 2.84Å; Q20-F76 HydrophobicContact CB-CE2 3.79Å
21	R	95.8	Very high	95.2	Very high	73 Å²	73	50.3 Å²	50.3	28%	0.275	29%	0.287	S	S	.	.			trans	-83.6	150.7	169.5	-63.1	-171.9	-173.9	96.2	-3.8	110.2	G23 K24 E27 E70 A73	R21-G23 PolarHBondContact O-N 3.26Å; R21-K24 HydrophobicContact CB-CB 4Å; R21-K24 HydrophobicContact CB-CG 3.92Å; R21-K24 PolarHBondContact O-N 2.8Å; R21-E27 IonicContact CZ-OE2 3.98Å; R21-E27 IonicContact NH1-OE1 3.51Å; R21-E27 IonicContact NH1-OE2 3.57Å; R21-E27 PolarHBondContact NH1-OE2 2.87Å; R21-E27 IonicContact NH2-OE2 3.42Å; R21-E70 PolarHBondContact NE-O 2.92Å; R21-E70 PolarHBondContact NH2-O 3.06Å; R21-A73 HydrophobicContact CG-CB 4.24Å
22	P	92.1	Very high	95.4	Very high	115 Å²	115	47.6 Å²	47.6	75%	0.747	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	128.1	172.6	-26.2	34.9	0	0	0	111.6	K24	P22-K24 PolarHBondContact O-N 2.95Å
23	G	93.4	Very high	95.6	Very high	87 Å²	87	47.8 Å²	47.8	90%	0.897	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	11.4	-179.6	0	0	0	0	0	115.6	R21	R21-G23 PolarHBondContact O-N 3.26Å
24	K	94.1	Very high	95.9	Very high	140 Å²	140	47.3 Å²	47.3	61%	0.609	26%	0.257	S	S	*	.	S	Bend	trans	-118.5	160.1	175.9	-57.4	-63.5	-178.1	-177.1	0	111.2	R21 P22	R21-K24 HydrophobicContact CB-CB 4Å; R21-K24 HydrophobicContact CB-CG 3.92Å; R21-K24 PolarHBondContact O-N 2.8Å; P22-K24 PolarHBondContact O-N 2.95Å
25	G	94	Very high	96	Very high	56 Å²	56	45.8 Å²	45.8	58%	0.577	26%	0.258	S	S	*	.			trans	-68.3	173.1	173.1	0	0	0	0	0	112.9
26	L	95.4	Very high	96	Very high	99 Å²	99	51 Å²	51	52%	0.518	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131.7	173.7	-66.7	170.4	0	0	0	110.6	V18 Q20 F76 W89	V18-L26 HydrophobicContact CG1-CB 3.8Å; V18-L26 HydrophobicContact CG1-CD2 3.8Å; V18-L26 HydrophobicContact CG1-CG 4.3Å; Q20-L26 HydrophobicContact CB-CD2 3.95Å; Q20-L26 HydrophobicContact CG-CD2 4.14Å; L26-F76 HydrophobicContact CD2-CE2 4.47Å; L26-W89 HydrophobicContact CD1-CH2 4.03Å
27	E	96.3	Very high	96	Very high	41 Å²	41	52.4 Å²	52.4	19%	0.192	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.2	174.4	-65.6	-174	114.9	0	0	109.5	V18 K19 R21 I29 K44 F45	V18-E27 CarbonylContact C-O 3.6Å; V18-E27 WeakPolarHBondContact CA-O 3.49Å; V18-E27 WeakPolarHBondContact CG1-O 3.49Å; K19-E27 PolarHBondContact N-O 2.74Å; K19-E27 PolarHBondContact O-N 2.92Å; R21-E27 IonicContact CZ-OE2 3.98Å; R21-E27 IonicContact NH1-OE1 3.51Å; R21-E27 IonicContact NH1-OE2 3.57Å; R21-E27 PolarHBondContact NH1-OE2 2.87Å; R21-E27 IonicContact NH2-OE2 3.42Å; E27-I29 PolarHBondContact O-N 2.93Å; E27-K44 IonicContact OE1-NZ 4Å; E27-F45 HydrophobicContact CB-CE2 4.42Å; E27-F45 HydrophobicContact CB-CZ 4.32Å
28	W	96.4	Very high	96	Very high	81 Å²	81	56.5 Å²	56.5	31%	0.307	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.2	175	-178.1	81.7	0	0	0	110.5	N16 G30 R31 N40 N42	N16-W28 PolarHBondContact OD1-NE1 3.36Å; W28-G30 PolarHBondContact NE1-O 2.84Å; W28-R31 HydrophobicContact CZ2-CB 4.05Å; W28-R31 HydrophobicContact CZ2-CG 3.88Å; W28-N40 HydrophobicContact CH2-CB 4.31Å; W28-N40 WeakPolarHBondContact CH2-OD1 3.09Å; W28-N42 HydrophobicContact CE3-CB 3.74Å; W28-N42 HydrophobicContact CZ3-CB 3.92Å; W28-N42 VanDerWaalsContact CZ3-N 3.29Å; W28-N42 WeakPolarHBondContact O-CB 3.35Å; W28-N42 PolarHBondContact O-ND2 2.9Å
29	I	97.6	Very high	96	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-48.8	-176.8	-58.4	175.8	0	0	0	110	W17 K19 E27 N42 F45 A49 M62 Y75	W17-I29 HydrophobicContact CB-CB 4.15Å; W17-I29 HydrophobicContact CB-CD1 4.3Å; W17-I29 WeakPolarHBondContact O-CB 3.42Å; W17-I29 PolarHBondContact O-N 2.97Å; K19-I29 HydrophobicContact CB-CD1 4Å; K19-I29 HydrophobicContact CB-CG1 4.23Å; E27-I29 PolarHBondContact O-N 2.93Å; I29-N42 WeakPolarHBondContact O-CB 3.35Å; I29-N42 PolarHBondContact O-N 3.47Å; I29-F45 HydrophobicContact CB-CD1 4.49Å; I29-F45 HydrophobicContact CB-CD2 4.32Å; I29-F45 HydrophobicContact CB-CG 4.22Å; I29-F45 HydrophobicContact CG1-CD1 4.16Å; I29-F45 HydrophobicContact CG1-CD2 4.35Å; I29-F45 HydrophobicContact CG1-CE1 4.06Å; I29-F45 HydrophobicContact CG1-CE2 4.23Å; I29-F45 HydrophobicContact CG1-CG 4.3Å; I29-F45 HydrophobicContact CG1-CZ 4.08Å; I29-F45 HydrophobicContact CG2-CB 3.71Å; I29-F45 HydrophobicContact CG2-CD1 3.99Å; I29-F45 HydrophobicContact CG2-CD2 4.33Å; I29-F45 HydrophobicContact CG2-CG 3.76Å; I29-A49 HydrophobicContact CG2-CB 3.77Å; I29-M62 HydrophobicContact CD1-CE 3.76Å; I29-M62 HydrophobicContact CD1-SD 3.64Å; I29-M62 HydrophobicContact CG2-SD 3.9Å; I29-Y75 HydrophobicContact CD1-CD1 3.79Å; I29-Y75 HydrophobicContact CD1-CE1 3.88Å
30	G	97.1	Very high	96	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.6	177.5	-173.2	0	0	0	0	0	111.6	N16 W17 W28 N40	N16-G30 WeakPolarHBondContact CA-O 3.38Å; W17-G30 PolarHBondContact N-O 3.42Å; W28-G30 PolarHBondContact NE1-O 2.84Å; G30-N40 CarbonylContact C-O 3.37Å; G30-N40 WeakPolarHBondContact CA-O 3.31Å
31	R	96.9	Very high	96	Very high	75 Å²	75	61.4 Å²	61.4	28%	0.283	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.9	174	68.5	-177.3	-179.3	-179.8	-4.2	111.7	W14 M15 N16 W28 T39 N40 D80	W14-R31 HydrophobicContact CD2-CG 4.25Å; W14-R31 HydrophobicContact CE3-CB 4.05Å; W14-R31 HydrophobicContact CE3-CG 3.46Å; W14-R31 VanDerWaalsContact CE3-CG 3.46Å; W14-R31 HydrophobicContact CZ3-CG 3.8Å; M15-R31 CarbonylContact O-C 3.51Å; M15-R31 WeakPolarHBondContact O-CA 3.46Å; M15-R31 WeakPolarHBondContact O-CB 3.37Å; N16-R31 HydrophobicContact CB-CB 4.49Å; N16-R31 WeakPolarHBondContact OD1-CB 3.41Å; W28-R31 HydrophobicContact CZ2-CB 4.05Å; W28-R31 HydrophobicContact CZ2-CG 3.88Å; R31-T39 VanDerWaalsContact O-CA 3.31Å; R31-T39 WeakPolarHBondContact O-CA 3.48Å; R31-N40 HydrophobicContact CG-CB 4.19Å; R31-N40 PolarHBondContact N-O 2.79Å; R31-N40 PolarHBondContact O-N 2.9Å; R31-D80 IonicContact NH1-OD2 3.06Å; R31-D80 PolarHBondContact NH1-OD2 3.22Å
32	I	97.4	Very high	96	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.4	174	-176.6	166.3	0	0	0	109.9	M15 P34 D38 T39 L51 T52 A53	M15-I32 HydrophobicContact CB-CG2 4.11Å; M15-I32 PolarHBondContact N-O 3.2Å; M15-I32 PolarHBondContact O-N 2.92Å; I32-P34 WeakPolarHBondContact O-CD 2.89Å; I32-D38 CarbonylContact C-O 3.54Å; I32-D38 VanDerWaalsContact CA-O 3.3Å; I32-D38 WeakPolarHBondContact CA-O 3.48Å; I32-T39 HydrophobicContact CB-CG2 4Å; I32-T39 HydrophobicContact CD1-CG2 4.01Å; I32-T39 HydrophobicContact CG1-CG2 3.84Å; I32-L51 HydrophobicContact CB-CB 4.13Å; I32-L51 HydrophobicContact CD1-CB 4.44Å; I32-L51 HydrophobicContact CG2-CB 4.45Å; I32-T52 VanDerWaalsContact CD1-C 3.47Å; I32-A53 HydrophobicContact CD1-CB 3.95Å
33	Y	96.6	Very high	96.2	Very high	64 Å²	64	57.7 Å²	57.7	25%	0.251	35%	0.345	S	S	.	.			trans	-95.8	108.3	167.5	-170.1	-112.2	0	0	0	108.1	S12 W14 G35 D36 G37 D38	S12-Y33 VanDerWaalsContact C-CE2 3.47Å; S12-Y33 WeakPolarHBondContact CA-OH 3.44Å; W14-Y33 AromaticContact CD2-CD2 3.99Å; W14-Y33 HydrophobicContact CD2-CD2 3.99Å; W14-Y33 HydrophobicContact CD2-CG 4.33Å; W14-Y33 AromaticContact CE2-CD2 3.91Å; W14-Y33 HydrophobicContact CG-CD2 4.08Å; W14-Y33 HydrophobicContact CZ2-CD2 4.46Å; W14-Y33 HydrophobicContact CZ2-CG 4.28Å; W14-Y33 VanDerWaalsContact CZ3-CB 3.5Å; W14-Y33 AromaticContact NE1-CD2 3.92Å; Y33-G35 PolarHBondContact O-N 2.67Å; Y33-G35 VanDerWaalsContact O-N 3.08Å; Y33-D36 WeakPolarHBondContact CD1-OD1 3.22Å; Y33-G37 VanDerWaalsContact O-CA 3.3Å; Y33-G37 WeakPolarHBondContact O-CA 3.31Å; Y33-G37 PolarHBondContact O-N 2.93Å; Y33-D38 PolarHBondContact N-O 3.01Å
34	P	96.3	Very high	96.1	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.026	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.1	-174.2	-23	35.4	0	0	0	113.5	F10 S13 I32 A53 K55	F10-P34 HydrophobicContact CD1-CB 3.84Å; F10-P34 HydrophobicContact CD1-CG 4.1Å; F10-P34 HydrophobicContact CD2-CG 4.08Å; F10-P34 HydrophobicContact CE1-CB 3.47Å; F10-P34 VanDerWaalsContact CE1-CB 3.47Å; F10-P34 HydrophobicContact CE1-CG 3.67Å; F10-P34 HydrophobicContact CE2-CB 4.37Å; F10-P34 HydrophobicContact CE2-CG 3.64Å; F10-P34 HydrophobicContact CG-CB 4.47Å; F10-P34 HydrophobicContact CG-CG 4.32Å; F10-P34 HydrophobicContact CZ-CB 3.77Å; F10-P34 HydrophobicContact CZ-CG 3.41Å; F10-P34 VanDerWaalsContact CZ-CG 3.41Å; F10-P34 WeakPolarHBondContact O-CG 3.34Å; S13-P34 WeakPolarHBondContact O-CD 3.31Å; I32-P34 WeakPolarHBondContact O-CD 2.89Å; P34-A53 HydrophobicContact CB-CB 3.77Å; P34-A53 HydrophobicContact CG-CB 4.13Å; P34-K55 WeakPolarHBondContact O-CE 3.43Å
35	G	95.6	Very high	96.1	Very high	22 Å²	22	54.8 Å²	54.8	23%	0.227	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-43.6	-177.5	0	0	0	0	0	114.2	S11 Y33 K55	S11-G35 WeakPolarHBondContact O-CA 3.24Å; S11-G35 PolarHBondContact O-N 2.98Å; Y33-G35 PolarHBondContact O-N 2.67Å; Y33-G35 VanDerWaalsContact O-N 3.08Å; G35-K55 WeakPolarHBondContact O-CE 3.15Å; G35-K55 PolarHBondContact O-NZ 3.12Å
36	D	96.1	Very high	96	Very high	115 Å²	115	59.8 Å²	59.8	62%	0.615	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-7.6	-179.8	55.5	20	0	0	0	113.1	Y33 D38	Y33-D36 WeakPolarHBondContact CD1-OD1 3.22Å; D36-D38 VanDerWaalsContact OD1-CB 3.27Å; D36-D38 WeakPolarHBondContact OD1-CB 3.46Å; D36-D38 PolarHBondContact OD1-N 3.33Å
37	G	96.4	Very high	95.8	Very high	40 Å²	40	58.4 Å²	58.4	41%	0.412	32%	0.322	S	S	.	.			trans	83.1	12	-178.1	0	0	0	0	0	113.7	Y33	Y33-G37 VanDerWaalsContact O-CA 3.3Å; Y33-G37 WeakPolarHBondContact O-CA 3.31Å; Y33-G37 PolarHBondContact O-N 2.93Å
38	D	97.3	Very high	95.7	Very high	88 Å²	88	58.9 Å²	58.9	47%	0.471	32%	0.324	S	S	.	.			trans	-60	139.9	175.7	-171.9	21.4	0	0	0	110.7	W14 I32 Y33 D36	W14-D38 HydrophobicContact CH2-CB 3.92Å; W14-D38 WeakPolarHBondContact CH2-OD2 3.35Å; W14-D38 WeakPolarHBondContact CZ3-O 3.42Å; I32-D38 CarbonylContact C-O 3.54Å; I32-D38 VanDerWaalsContact CA-O 3.3Å; I32-D38 WeakPolarHBondContact CA-O 3.48Å; Y33-D38 PolarHBondContact N-O 3.01Å; D36-D38 VanDerWaalsContact OD1-CB 3.27Å; D36-D38 WeakPolarHBondContact OD1-CB 3.46Å; D36-D38 PolarHBondContact OD1-N 3.33Å
39	T	97.6	Very high	95.8	Very high	48 Å²	48	55.1 Å²	55.1	29%	0.294	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.1	-176.1	54.4	0	0	0	0	111.6	R31 I32 Y41 L51	R31-T39 VanDerWaalsContact O-CA 3.31Å; R31-T39 WeakPolarHBondContact O-CA 3.48Å; I32-T39 HydrophobicContact CB-CG2 4Å; I32-T39 HydrophobicContact CD1-CG2 4.01Å; I32-T39 HydrophobicContact CG1-CG2 3.84Å; T39-Y41 HydrophobicContact CG2-CE2 4.48Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.43Å; T39-L51 HydrophobicContact CG2-CB 4.12Å
40	N	96.7	Very high	95.8	Very high	80 Å²	80	58.3 Å²	58.3	43%	0.428	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.5	170.5	-169	-119.6	0	0	0	109.8	W28 G30 R31	W28-N40 HydrophobicContact CH2-CB 4.31Å; W28-N40 WeakPolarHBondContact CH2-OD1 3.09Å; G30-N40 CarbonylContact C-O 3.37Å; G30-N40 WeakPolarHBondContact CA-O 3.31Å; R31-N40 HydrophobicContact CG-CB 4.19Å; R31-N40 PolarHBondContact N-O 2.79Å; R31-N40 PolarHBondContact O-N 2.9Å
41	Y	97.3	Very high	95.9	Very high	58 Å²	58	58.8 Å²	58.8	23%	0.227	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.9	-174.3	-66.8	-91.3	0	0	0	110.7	T39 A49 L51	T39-Y41 HydrophobicContact CG2-CE2 4.48Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.43Å; Y41-A49 HydrophobicContact CE1-CB 4.4Å; Y41-A49 VanDerWaalsContact CE1-O 3.25Å; Y41-A49 WeakPolarHBondContact CE1-O 3.23Å; Y41-L51 HydrophobicContact CE1-CD1 4.02Å; Y41-L51 HydrophobicContact CE1-CG 3.7Å; Y41-L51 PolarHBondContact OH-N 3.5Å
42	N	96.1	Very high	95.9	Very high	49 Å²	49	58.6 Å²	58.6	26%	0.262	34%	0.34	S	S	.	.			trans	-69.9	134	157.8	-178.2	-24.7	0	0	0	108.7	W28 I29 K44 F45 K46	W28-N42 HydrophobicContact CE3-CB 3.74Å; W28-N42 HydrophobicContact CZ3-CB 3.92Å; W28-N42 VanDerWaalsContact CZ3-N 3.29Å; W28-N42 WeakPolarHBondContact O-CB 3.35Å; W28-N42 PolarHBondContact O-ND2 2.9Å; I29-N42 WeakPolarHBondContact O-CB 3.35Å; I29-N42 PolarHBondContact O-N 3.47Å; N42-K44 PolarHBondContact O-N 2.83Å; N42-K44 PolarHBondContact OD1-N 3.45Å; N42-K44 VanDerWaalsContact OD1-N 3.13Å; N42-F45 HydrophobicContact CB-CD2 4Å; N42-F45 PolarHBondContact O-N 2.59Å; N42-K46 PolarHBondContact O-N 2.73Å
43	G	94.7	Very high	96	Very high	60 Å²	60	60 Å²	60	62%	0.619	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-52.3	-32.8	-178.8	0	0	0	0	0	113.9	F45 K46	G43-F45 PolarHBondContact O-N 3.44Å; G43-K46 PolarHBondContact O-N 3.26Å
44	K	92.1	Very high	96	Very high	154 Å²	154	59.7 Å²	59.7	67%	0.67	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-63.1	-25.5	177.2	-67.6	-176	179.4	-179.4	0	114.3	E27 N42	E27-K44 IonicContact OE1-NZ 4Å; N42-K44 PolarHBondContact O-N 2.83Å; N42-K44 PolarHBondContact OD1-N 3.45Å; N42-K44 VanDerWaalsContact OD1-N 3.13Å
45	F	94.3	Very high	95.9	Very high	12 Å²	12	65 Å²	65	5%	0.053	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-111.2	-3.7	-174.9	-62.4	-86.7	0	0	0	112.8	K19 E27 I29 N42 G43 G47 K48 A49	K19-F45 HydrophobicContact CD-CE1 4.26Å; K19-F45 HydrophobicContact CD-CZ 4.4Å; E27-F45 HydrophobicContact CB-CE2 4.42Å; E27-F45 HydrophobicContact CB-CZ 4.32Å; I29-F45 HydrophobicContact CB-CD1 4.49Å; I29-F45 HydrophobicContact CB-CD2 4.32Å; I29-F45 HydrophobicContact CB-CG 4.22Å; I29-F45 HydrophobicContact CG1-CD1 4.16Å; I29-F45 HydrophobicContact CG1-CD2 4.35Å; I29-F45 HydrophobicContact CG1-CE1 4.06Å; I29-F45 HydrophobicContact CG1-CE2 4.23Å; I29-F45 HydrophobicContact CG1-CG 4.3Å; I29-F45 HydrophobicContact CG1-CZ 4.08Å; I29-F45 HydrophobicContact CG2-CB 3.71Å; I29-F45 HydrophobicContact CG2-CD1 3.99Å; I29-F45 HydrophobicContact CG2-CD2 4.33Å; I29-F45 HydrophobicContact CG2-CG 3.76Å; N42-F45 HydrophobicContact CB-CD2 4Å; N42-F45 PolarHBondContact O-N 2.59Å; G43-F45 PolarHBondContact O-N 3.44Å; F45-G47 PolarHBondContact O-N 3.1Å; F45-K48 PolarHBondContact O-N 3.42Å; F45-A49 PolarHBondContact O-N 3.02Å
46	K	91.8	Very high	95.9	Very high	162 Å²	162	69.1 Å²	69.1	70%	0.704	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-61.3	124	175.3	-167.8	172.9	-176.5	177.8	0	109.3	N42 G43 K48	N42-K46 PolarHBondContact O-N 2.73Å; G43-K46 PolarHBondContact O-N 3.26Å; K46-K48 VanDerWaalsContact C-N 3.27Å; K46-K48 PolarHBondContact O-N 2.99Å
47	G	91.7	Very high	95.9	Very high	69 Å²	69	65.4 Å²	65.4	71%	0.711	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-14.5	-175.6	0	0	0	0	0	115.1	F45 S65	F45-G47 PolarHBondContact O-N 3.1Å; G47-S65 PolarHBondContact O-OG 3.24Å
48	K	94.9	Very high	95.9	Very high	51 Å²	51	65.4 Å²	65.4	22%	0.222	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-33.7	174.6	-166.8	170.4	-165.4	169.6	0	112.9	F45 K46 L64 S65 D71	F45-K48 PolarHBondContact O-N 3.42Å; K46-K48 VanDerWaalsContact C-N 3.27Å; K46-K48 PolarHBondContact O-N 2.99Å; K48-L64 WeakPolarHBondContact O-CA 3.22Å; K48-S65 WeakPolarHBondContact CG-O 3.49Å; K48-S65 PolarHBondContact O-N 2.8Å; K48-S65 PolarHBondContact O-OG 3.26Å; K48-D71 WeakPolarHBondContact CE-OD1 3.44Å; K48-D71 WeakPolarHBondContact CE-OD2 3.3Å; K48-D71 IonicContact NZ-OD1 2.73Å; K48-D71 PolarHBondContact NZ-OD1 3.15Å; K48-D71 IonicContact NZ-OD2 2.59Å; K48-D71 PolarHBondContact NZ-OD2 2.03Å
49	A	97.3	Very high	96	Very high	3 Å²	3	61.7 Å²	61.7	3%	0.025	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.1	176.6	0	0	0	0	0	110.6	I29 Y41 F45 M62 Q63 L64	I29-A49 HydrophobicContact CG2-CB 3.77Å; Y41-A49 HydrophobicContact CE1-CB 4.4Å; Y41-A49 VanDerWaalsContact CE1-O 3.25Å; Y41-A49 WeakPolarHBondContact CE1-O 3.23Å; F45-A49 PolarHBondContact O-N 3.02Å; A49-M62 HydrophobicContact CB-CG 4.3Å; A49-M62 HydrophobicContact CB-SD 4.29Å; A49-Q63 CarbonylContact C-O 3.58Å; A49-Q63 WeakPolarHBondContact CA-O 3.38Å; A49-L64 HydrophobicContact CB-CD2 3.91Å
50	T	98.1	Very high	96	Very high	67 Å²	67	59.4 Å²	59.4	41%	0.411	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.6	167.9	-58.9	0	0	0	0	108.3	T52 M62 Q63	T50-T52 HydrophobicContact CG2-CG2 4.34Å; T50-M62 WeakPolarHBondContact O-CA 3.18Å; T50-Q63 PolarHBondContact N-O 3.43Å; T50-Q63 PolarHBondContact O-N 2.92Å
51	L	98.3	Very high	96	Very high	9 Å²	9	59.6 Å²	59.6	5%	0.047	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.4	179.3	-51.7	-176.2	0	0	0	110.3	W17 I32 T39 Y41 Y61 M62	W17-L51 VanDerWaalsContact CD1-CD2 3.48Å; W17-L51 HydrophobicContact CG-CD2 4.05Å; I32-L51 HydrophobicContact CB-CB 4.13Å; I32-L51 HydrophobicContact CD1-CB 4.44Å; I32-L51 HydrophobicContact CG2-CB 4.45Å; T39-L51 HydrophobicContact CG2-CB 4.12Å; Y41-L51 HydrophobicContact CE1-CD1 4.02Å; Y41-L51 HydrophobicContact CE1-CG 3.7Å; Y41-L51 PolarHBondContact OH-N 3.5Å; L51-Y61 WeakPolarHBondContact CA-O 3.01Å; L51-M62 HydrophobicContact CD2-CB 3.72Å; L51-M62 HydrophobicContact CD2-CG 3.65Å; L51-M62 HydrophobicContact CD2-SD 4.05Å
52	T	98.2	Very high	96.1	Very high	72 Å²	72	57 Å²	57	44%	0.442	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	165.9	174.6	64	0	0	0	0	110.5	I32 T50 Y61	I32-T52 VanDerWaalsContact CD1-C 3.47Å; T50-T52 HydrophobicContact CG2-CG2 4.34Å; T52-Y61 PolarHBondContact N-O 2.73Å; T52-Y61 PolarHBondContact O-N 3.48Å
53	A	97.9	Very high	96.2	Very high	34 Å²	34	61.2 Å²	61.2	28%	0.281	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142.1	177	0	0	0	0	0	111	F10 I32 P34 T59	F10-A53 HydrophobicContact CE1-CB 4.13Å; F10-A53 HydrophobicContact CZ-CB 4.03Å; I32-A53 HydrophobicContact CD1-CB 3.95Å; P34-A53 HydrophobicContact CB-CB 3.77Å; P34-A53 HydrophobicContact CG-CB 4.13Å; A53-T59 WeakPolarHBondContact CA-O 3.25Å
54	D	97.3	Very high	96.3	Very high	56 Å²	56	59.9 Å²	59.9	30%	0.299	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.8	169.4	172.7	15.5	0	0	0	109.1	S56 S57 S58 T59 Y61	D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 VanDerWaalsContact CG-OG 3.31Å; D54-S56 PolarHBondContact O-N 3.04Å; D54-S56 WeakPolarHBondContact OD1-CB 3.12Å; D54-S56 PolarHBondContact OD1-N 3.32Å; D54-S56 PolarHBondContact OD1-OG 3.28Å; D54-S56 PolarHBondContact OD2-OG 3.06Å; D54-S57 VanDerWaalsContact OD2-CB 3.26Å; D54-S57 WeakPolarHBondContact OD2-CB 3.27Å; D54-S57 PolarHBondContact OD2-N 2.97Å; D54-S57 PolarHBondContact OD2-OG 2.81Å; D54-S58 WeakPolarHBondContact O-CA 3.31Å; D54-S58 PolarHBondContact O-N 3.27Å; D54-S58 VanDerWaalsContact O-N 3.1Å; D54-T59 PolarHBondContact N-O 3.06Å; D54-T59 PolarHBondContact O-N 2.86Å; D54-Y61 HydrophobicContact CB-CE2 3.98Å
55	K	95.2	Very high	96.4	Very high	117 Å²	117	54.9 Å²	54.9	51%	0.509	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-36.4	179.8	-64.3	171.5	-179.9	173.4	0	111.7	P34 G35 S58	P34-K55 WeakPolarHBondContact O-CE 3.43Å; G35-K55 WeakPolarHBondContact O-CE 3.15Å; G35-K55 PolarHBondContact O-NZ 3.12Å; K55-S58 PolarHBondContact O-N 2.92Å
56	S	94.7	Very high	96.3	Very high	108 Å²	108	59.6 Å²	59.6	76%	0.755	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-40.2	-173.4	71.6	0	0	0	0	111.7	D54	D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 VanDerWaalsContact CG-OG 3.31Å; D54-S56 PolarHBondContact O-N 3.04Å; D54-S56 WeakPolarHBondContact OD1-CB 3.12Å; D54-S56 PolarHBondContact OD1-N 3.32Å; D54-S56 PolarHBondContact OD1-OG 3.28Å; D54-S56 PolarHBondContact OD2-OG 3.06Å
57	S	96.6	Very high	96.3	Very high	37 Å²	37	55 Å²	55	26%	0.259	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-2	176.8	65.2	0	0	0	0	113.8	D54 T59	D54-S57 VanDerWaalsContact OD2-CB 3.26Å; D54-S57 WeakPolarHBondContact OD2-CB 3.27Å; D54-S57 PolarHBondContact OD2-N 2.97Å; D54-S57 PolarHBondContact OD2-OG 2.81Å; S57-T59 PolarHBondContact O-N 2.82Å; S57-T59 PolarHBondContact O-OG1 2.97Å; S57-T59 VanDerWaalsContact O-OG1 3.12Å; S57-T59 WeakPolarHBondContact OG-CB 3.43Å; S57-T59 PolarHBondContact OG-OG1 3.34Å
58	S	96.6	Very high	96.4	Very high	39 Å²	39	54.8 Å²	54.8	27%	0.273	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	41.9	-171.9	-62.3	0	0	0	0	112.9	A5 F10 D54 K55	A5-S58 WeakPolarHBondContact CB-O 3.18Å; A5-S58 PolarHBondContact N-O 2.86Å; F10-S58 VanDerWaalsContact CD1-CA 3.47Å; D54-S58 WeakPolarHBondContact O-CA 3.31Å; D54-S58 PolarHBondContact O-N 3.27Å; D54-S58 VanDerWaalsContact O-N 3.1Å; K55-S58 PolarHBondContact O-N 2.92Å
59	T	97.9	Very high	96.3	Very high	11 Å²	11	55.9 Å²	55.9	7%	0.067	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.9	-174.6	-54	0	0	0	0	110.9	C3 A53 D54 S57 Y61	C3-T59 WeakPolarHBondContact O-CA 3.4Å; A53-T59 WeakPolarHBondContact CA-O 3.25Å; D54-T59 PolarHBondContact N-O 3.06Å; D54-T59 PolarHBondContact O-N 2.86Å; S57-T59 PolarHBondContact O-N 2.82Å; S57-T59 PolarHBondContact O-OG1 2.97Å; S57-T59 VanDerWaalsContact O-OG1 3.12Å; S57-T59 WeakPolarHBondContact OG-CB 3.43Å; S57-T59 PolarHBondContact OG-OG1 3.34Å; T59-Y61 HydrophobicContact CG2-CD1 4.3Å; T59-Y61 HydrophobicContact CG2-CD2 4.41Å; T59-Y61 HydrophobicContact CG2-CE1 3.65Å; T59-Y61 HydrophobicContact CG2-CE2 3.78Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.37Å; T59-Y61 WeakPolarHBondContact O-CE2 3.33Å
60	A	97.8	Very high	96	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	149.6	168.5	0	0	0	0	0	110.1	S2 C3 F10 M15 W17	S2-A60 CarbonylContact C-O 3.52Å; S2-A60 WeakPolarHBondContact CA-O 3.32Å; C3-A60 PolarHBondContact N-O 3Å; C3-A60 PolarHBondContact O-N 3.24Å; F10-A60 HydrophobicContact CE2-CB 4.16Å; F10-A60 HydrophobicContact CZ-CB 3.94Å; M15-A60 HydrophobicContact CB-CB 4.21Å; M15-A60 HydrophobicContact CG-CB 3.73Å; W17-A60 HydrophobicContact CZ2-CB 4.14Å
61	Y	98.4	Very high	95.8	Very high	84 Å²	84	59.3 Å²	59.3	33%	0.329	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145	179.5	-54.3	-91.1	0	0	0	110.7	I1 L51 T52 D54 T59	I1-Y61 CarbonylContact O-C 3.56Å; I1-Y61 VanDerWaalsContact O-CA 3.3Å; I1-Y61 WeakPolarHBondContact O-CA 2.97Å; L51-Y61 WeakPolarHBondContact CA-O 3.01Å; T52-Y61 PolarHBondContact N-O 2.73Å; T52-Y61 PolarHBondContact O-N 3.48Å; D54-Y61 HydrophobicContact CB-CE2 3.98Å; T59-Y61 HydrophobicContact CG2-CD1 4.3Å; T59-Y61 HydrophobicContact CG2-CD2 4.41Å; T59-Y61 HydrophobicContact CG2-CE1 3.65Å; T59-Y61 HydrophobicContact CG2-CE2 3.78Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.37Å; T59-Y61 WeakPolarHBondContact O-CE2 3.33Å
62	M	98.2	Very high	95.7	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.5	166.6	176	172.8	68.5	0	0	108.5	I1 W17 I29 A49 T50 L51 L64 Y75	I1-M62 HydrophobicContact CD1-CE 3.8Å; I1-M62 PolarHBondContact N-O 2.82Å; I1-M62 PolarHBondContact O-N 2.88Å; W17-M62 HydrophobicContact CB-CE 4.4Å; W17-M62 HydrophobicContact CB-SD 3.82Å; W17-M62 HydrophobicContact CD2-CB 3.71Å; W17-M62 HydrophobicContact CD2-CE 4.17Å; W17-M62 HydrophobicContact CD2-SD 4.09Å; W17-M62 HydrophobicContact CE3-CB 4Å; W17-M62 HydrophobicContact CE3-CE 3.71Å; W17-M62 HydrophobicContact CE3-SD 4.25Å; W17-M62 HydrophobicContact CG-CB 4.2Å; W17-M62 HydrophobicContact CG-CE 4.5Å; W17-M62 HydrophobicContact CG-SD 3.94Å; W17-M62 HydrophobicContact CH2-CB 4.19Å; W17-M62 HydrophobicContact CZ2-CB 3.92Å; W17-M62 HydrophobicContact CZ3-CB 4.24Å; W17-M62 HydrophobicContact CZ3-CE 4.34Å; I29-M62 HydrophobicContact CD1-CE 3.76Å; I29-M62 HydrophobicContact CD1-SD 3.64Å; I29-M62 HydrophobicContact CG2-SD 3.9Å; A49-M62 HydrophobicContact CB-CG 4.3Å; A49-M62 HydrophobicContact CB-SD 4.29Å; T50-M62 WeakPolarHBondContact O-CA 3.18Å; L51-M62 HydrophobicContact CD2-CB 3.72Å; L51-M62 HydrophobicContact CD2-CG 3.65Å; L51-M62 HydrophobicContact CD2-SD 4.05Å; M62-L64 HydrophobicContact CE-CD1 4.3Å; M62-L64 HydrophobicContact CE-CD2 4.35Å; M62-L64 HydrophobicContact CE-CG 4.39Å; M62-L64 HydrophobicContact CG-CD2 4.2Å; M62-L64 HydrophobicContact CG-CG 4.36Å; M62-L64 HydrophobicContact SD-CD2 4.09Å; M62-Y75 HydrophobicContact CE-CD1 3.58Å; M62-Y75 HydrophobicContact CE-CE1 4.17Å; M62-Y75 HydrophobicContact CE-CG 4.36Å
63	Q	98	Very high	95.7	Very high	138 Å²	138	57.2 Å²	57.2	65%	0.645	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.2	168.9	-174.5	176.3	7.2	0	0	108.6	A49 T50	A49-Q63 CarbonylContact C-O 3.58Å; A49-Q63 WeakPolarHBondContact CA-O 3.38Å; T50-Q63 PolarHBondContact N-O 3.43Å; T50-Q63 PolarHBondContact O-N 2.92Å
64	L	96.6	Very high	95.7	Very high	32 Å²	32	57.5 Å²	57.5	17%	0.168	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136	173.6	-63.5	169.6	0	0	0	108.8	I1 K48 A49 M62 L67 Y75 L95	I1-L64 HydrophobicContact CD1-CD1 4.35Å; K48-L64 WeakPolarHBondContact O-CA 3.22Å; A49-L64 HydrophobicContact CB-CD2 3.91Å; M62-L64 HydrophobicContact CE-CD1 4.3Å; M62-L64 HydrophobicContact CE-CD2 4.35Å; M62-L64 HydrophobicContact CE-CG 4.39Å; M62-L64 HydrophobicContact CG-CD2 4.2Å; M62-L64 HydrophobicContact CG-CG 4.36Å; M62-L64 HydrophobicContact SD-CD2 4.09Å; L64-L67 HydrophobicContact CB-CD1 4.44Å; L64-L67 HydrophobicContact CB-CD2 3.74Å; L64-L67 HydrophobicContact CB-CG 4.25Å; L64-L67 HydrophobicContact CD1-CD2 4.1Å; L64-L67 HydrophobicContact CG-CD2 4.5Å; L64-Y75 HydrophobicContact CD1-CD1 4.36Å; L64-Y75 HydrophobicContact CD1-CE1 3.71Å; L64-L95 HydrophobicContact CD1-CD2 3.83Å
65	S	94.5	Very high	95.7	Very high	50 Å²	50	55 Å²	55	35%	0.35	31%	0.313	S	S	.	.			trans	-117.4	159.4	177.8	56	0	0	0	0	111.1	G47 K48 L67	G47-S65 PolarHBondContact O-OG 3.24Å; K48-S65 WeakPolarHBondContact CG-O 3.49Å; K48-S65 PolarHBondContact O-N 2.8Å; K48-S65 PolarHBondContact O-OG 3.26Å; S65-L67 VanDerWaalsContact C-N 3.31Å; S65-L67 PolarHBondContact O-N 2.96Å
66	S	91.7	Very high	95.9	Very high	110 Å²	110	50.9 Å²	50.9	77%	0.769	30%	0.295	S	S	*	.	S	Bend	trans	49	49.9	175.6	-56.3	0	0	0	0	113.3
67	L	93.3	Very high	95.9	Very high	66 Å²	66	46.4 Å²	46.4	35%	0.346	26%	0.264	S	S	.	.			trans	-68.6	139.2	-177.9	-71	173.8	0	0	0	111.4	L64 S65 D71 L95 V97	L64-L67 HydrophobicContact CB-CD1 4.44Å; L64-L67 HydrophobicContact CB-CD2 3.74Å; L64-L67 HydrophobicContact CB-CG 4.25Å; L64-L67 HydrophobicContact CD1-CD2 4.1Å; L64-L67 HydrophobicContact CG-CD2 4.5Å; S65-L67 VanDerWaalsContact C-N 3.31Å; S65-L67 PolarHBondContact O-N 2.96Å; L67-D71 WeakPolarHBondContact CA-OD2 3.42Å; L67-D71 HydrophobicContact CD2-CB 3.59Å; L67-L95 HydrophobicContact CD1-CD2 4.07Å; L67-L95 HydrophobicContact CD2-CD2 4.28Å; L67-V97 HydrophobicContact CB-CG1 4.18Å; L67-V97 HydrophobicContact CB-CG2 4.06Å; L67-V97 HydrophobicContact CD1-CG2 4.17Å
68	T	93.3	Very high	95.8	Very high	64 Å²	64	44.8 Å²	44.8	39%	0.393	25%	0.253	S	S	.	.			trans	-120.8	172	171.2	69.9	0	0	0	0	110	E70 D71 V97	T68-E70 PolarHBondContact O-N 2.66Å; T68-E70 VanDerWaalsContact O-N 3.14Å; T68-E70 PolarHBondContact OG1-N 3.06Å; T68-D71 PolarHBondContact N-OD2 3.47Å; T68-D71 VanDerWaalsContact O-CB 3.31Å; T68-D71 WeakPolarHBondContact O-CB 3.42Å; T68-D71 PolarHBondContact O-N 2.78Å; T68-V97 WeakPolarHBondContact O-CB 3Å; T68-V97 WeakPolarHBondContact O-CG1 3.42Å
69	S	93.1	Very high	95.6	Very high	74 Å²	74	45 Å²	45	52%	0.517	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-56.8	-28.9	176.9	53.7	0	0	0	0	113.3	D71 S72 V97	S69-D71 PolarHBondContact O-N 2.88Å; S69-S72 VanDerWaalsContact O-CB 3.32Å; S69-S72 WeakPolarHBondContact O-CB 3.03Å; S69-S72 PolarHBondContact O-N 2.97Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-OG 3.29Å; S69-V97 WeakPolarHBondContact CA-O 3.42Å
70	E	90.5	Very high	94.8	Very high	137 Å²	137	46 Å²	46	64%	0.64	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-68.2	-10.9	175.1	-58.3	-174.2	170.3	0	0	114.1	K19 R21 T68 S72	K19-E70 PolarHBondContact NZ-O 3.13Å; R21-E70 PolarHBondContact NE-O 2.92Å; R21-E70 PolarHBondContact NH2-O 3.06Å; T68-E70 PolarHBondContact O-N 2.66Å; T68-E70 VanDerWaalsContact O-N 3.14Å; T68-E70 PolarHBondContact OG1-N 3.06Å; E70-S72 VanDerWaalsContact C-N 3.32Å
71	D	93.9	Very high	93.5	Very high	5 Å²	5	47 Å²	47	3%	0.027	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-83.2	-9.6	173	-62.2	-51.6	0	0	0	114.3	K19 K48 L67 T68 S69 A73 Y75 V97	K19-D71 WeakPolarHBondContact CE-O 3.23Å; K19-D71 VanDerWaalsContact NZ-CA 3.35Å; K19-D71 IonicContact NZ-OD1 2.7Å; K19-D71 PolarHBondContact NZ-OD1 3.22Å; K48-D71 WeakPolarHBondContact CE-OD1 3.44Å; K48-D71 WeakPolarHBondContact CE-OD2 3.3Å; K48-D71 IonicContact NZ-OD1 2.73Å; K48-D71 PolarHBondContact NZ-OD1 3.15Å; K48-D71 IonicContact NZ-OD2 2.59Å; K48-D71 PolarHBondContact NZ-OD2 2.03Å; L67-D71 WeakPolarHBondContact CA-OD2 3.42Å; L67-D71 HydrophobicContact CD2-CB 3.59Å; T68-D71 PolarHBondContact N-OD2 3.47Å; T68-D71 VanDerWaalsContact O-CB 3.31Å; T68-D71 WeakPolarHBondContact O-CB 3.42Å; T68-D71 PolarHBondContact O-N 2.78Å; S69-D71 PolarHBondContact O-N 2.88Å; D71-A73 PolarHBondContact O-N 2.85Å; D71-Y75 WeakPolarHBondContact O-CE2 3.38Å; D71-Y75 PolarHBondContact O-OH 3.47Å; D71-V97 HydrophobicContact CB-CG2 4.38Å
72	S	96.1	Very high	92	Very high	33 Å²	33	46.5 Å²	46.5	23%	0.231	27%	0.272	C	S	.	.			trans	-61.5	119.3	175.2	-57.3	0	0	0	0	110.8	S69 E70 L95 V97	S69-S72 VanDerWaalsContact O-CB 3.32Å; S69-S72 WeakPolarHBondContact O-CB 3.03Å; S69-S72 PolarHBondContact O-N 2.97Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-OG 3.29Å; E70-S72 VanDerWaalsContact C-N 3.32Å; S72-L95 CarbonylContact C-O 3.5Å; S72-L95 VanDerWaalsContact CA-O 3.23Å; S72-L95 WeakPolarHBondContact CA-O 3.41Å; S72-V97 PolarHBondContact OG-N 2.89Å; S72-V97 PolarHBondContact OG-O 3.47Å
73	A	97.4	Very high	90.5	Very high	5 Å²	5	51.6 Å²	51.6	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	170.9	-172.6	0	0	0	0	0	111.3	K19 Q20 R21 D71 Y75 L95	K19-A73 HydrophobicContact CD-CB 3.94Å; K19-A73 HydrophobicContact CG-CB 3.37Å; Q20-A73 WeakPolarHBondContact O-CA 3.32Å; Q20-A73 VanDerWaalsContact O-CB 3.24Å; Q20-A73 WeakPolarHBondContact O-CB 2.98Å; R21-A73 HydrophobicContact CG-CB 4.24Å; D71-A73 PolarHBondContact O-N 2.85Å; A73-Y75 HydrophobicContact CB-CD2 4.32Å; A73-Y75 HydrophobicContact CB-CE2 3.79Å; A73-L95 PolarHBondContact N-O 2.87Å; A73-L95 PolarHBondContact O-N 2.78Å
74	V	98.3	Very high	88.7	Confident	40 Å²	40	55.3 Å²	55.3	24%	0.242	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.8	161.7	-170.7	0	0	0	0	108.7	K19 Q20 F76 T93	K19-V74 CarbonylContact C-O 3.58Å; Q20-V74 PolarHBondContact N-O 2.95Å; Q20-V74 PolarHBondContact O-N 2.84Å; V74-F76 HydrophobicContact CB-CE2 3.78Å; V74-F76 HydrophobicContact CB-CZ 3.88Å; V74-F76 HydrophobicContact CG1-CD1 4.5Å; V74-F76 HydrophobicContact CG1-CD2 4.28Å; V74-F76 HydrophobicContact CG1-CE1 3.82Å; V74-F76 HydrophobicContact CG1-CE2 3.56Å; V74-F76 HydrophobicContact CG1-CZ 3.31Å; V74-T93 CarbonylContact C-O 3.28Å; V74-T93 WeakPolarHBondContact CA-O 3.3Å
75	Y	98.3	Very high	87.1	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.1	178.7	-70.1	-95.8	0	0	0	109.7	I1 V18 K19 I29 M62 L64 D71 A73 G92 T93 L95	I1-Y75 HydrophobicContact CD1-CD1 4.08Å; I1-Y75 HydrophobicContact CD1-CD2 4.04Å; I1-Y75 HydrophobicContact CD1-CG 3.62Å; V18-Y75 CarbonylContact O-C 3.57Å; V18-Y75 WeakPolarHBondContact O-CA 3.32Å; K19-Y75 HydrophobicContact CB-CD1 4.07Å; K19-Y75 HydrophobicContact CB-CE1 3.91Å; K19-Y75 HydrophobicContact CD-CE1 3.82Å; K19-Y75 WeakPolarHBondContact CD-OH 3.48Å; K19-Y75 WeakPolarHBondContact CE-OH 3.41Å; K19-Y75 HydrophobicContact CG-CD1 4.19Å; K19-Y75 HydrophobicContact CG-CE1 3.74Å; K19-Y75 HydrophobicContact CG-CE2 4.36Å; I29-Y75 HydrophobicContact CD1-CD1 3.79Å; I29-Y75 HydrophobicContact CD1-CE1 3.88Å; M62-Y75 HydrophobicContact CE-CD1 3.58Å; M62-Y75 HydrophobicContact CE-CE1 4.17Å; M62-Y75 HydrophobicContact CE-CG 4.36Å; L64-Y75 HydrophobicContact CD1-CD1 4.36Å; L64-Y75 HydrophobicContact CD1-CE1 3.71Å; D71-Y75 WeakPolarHBondContact O-CE2 3.38Å; D71-Y75 PolarHBondContact O-OH 3.47Å; A73-Y75 HydrophobicContact CB-CD2 4.32Å; A73-Y75 HydrophobicContact CB-CE2 3.79Å; Y75-G92 CarbonylContact O-C 3.55Å; Y75-G92 WeakPolarHBondContact O-CA 3.26Å; Y75-T93 PolarHBondContact N-O 3.29Å; Y75-T93 PolarHBondContact O-N 2.75Å; Y75-L95 HydrophobicContact CD2-CB 3.79Å; Y75-L95 HydrophobicContact CD2-CD2 4.39Å; Y75-L95 HydrophobicContact CE2-CB 3.67Å; Y75-L95 HydrophobicContact CE2-CD2 3.76Å; Y75-L95 HydrophobicContact CE2-CG 4.27Å
76	F	97.9	Very high	85.8	Confident	30 Å²	30	57.2 Å²	57.2	13%	0.132	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.5	-178	-56.1	-91	0	0	0	110.1	W17 V18 Q20 L26 V74 W89	W17-F76 WeakPolarHBondContact CA-O 3.41Å; V18-F76 PolarHBondContact N-O 3.5Å; V18-F76 PolarHBondContact O-N 3.14Å; Q20-F76 HydrophobicContact CB-CE2 3.79Å; L26-F76 HydrophobicContact CD2-CE2 4.47Å; V74-F76 HydrophobicContact CB-CE2 3.78Å; V74-F76 HydrophobicContact CB-CZ 3.88Å; V74-F76 HydrophobicContact CG1-CD1 4.5Å; V74-F76 HydrophobicContact CG1-CD2 4.28Å; V74-F76 HydrophobicContact CG1-CE1 3.82Å; V74-F76 HydrophobicContact CG1-CE2 3.56Å; V74-F76 HydrophobicContact CG1-CZ 3.31Å; F76-W89 HydrophobicContact CB-CE3 3.73Å; F76-W89 HydrophobicContact CB-CZ3 3.85Å; F76-W89 HydrophobicContact CD1-CE3 4.48Å; F76-W89 HydrophobicContact CG-CE3 4.17Å; F76-W89 HydrophobicContact CG-CZ3 4.3Å
77	C	96.6	Very high	85.2	Confident	15 Å²	15	58.4 Å²	58.4	10%	0.101	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.9	158.8	59.4	0	0	0	0	109.2	C3 M15 N16 W17 G90	C3-C77 HydrophobicContact CB-CB 3.44Å; C3-C77 VanDerWaalsContact CB-CB 3.44Å; C3-C77 WeakPolarHBondContact CB-SG 3.25Å; C3-C77 WeakPolarHBondContact SG-CB 3.23Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.86Å; M15-C77 HydrophobicContact CG-CB 4.49Å; M15-C77 HydrophobicContact SD-CB 3.81Å; N16-C77 CarbonylContact O-C 3.49Å; N16-C77 VanDerWaalsContact O-CA 3.23Å; N16-C77 WeakPolarHBondContact O-CA 3.3Å; W17-C77 HydrophobicContact CE3-CB 4.17Å; W17-C77 HydrophobicContact CH2-CB 4.27Å; W17-C77 HydrophobicContact CZ3-CB 4.02Å; C77-G90 PolarHBondContact O-N 3.23Å
78	A	94.7	Very high	85	Confident	2 Å²	2	61 Å²	61	2%	0.017	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	134.5	175.6	0	0	0	0	0	111.6	N16 Y88 W89	N16-A78 WeakPolarHBondContact CA-O 3.49Å; N16-A78 HydrophobicContact CB-CB 4.41Å; N16-A78 WeakPolarHBondContact CB-O 3.43Å; N16-A78 PolarHBondContact N-O 3.08Å; N16-A78 PolarHBondContact ND2-O 2.88Å; N16-A78 PolarHBondContact O-N 2.88Å; A78-Y88 CarbonylContact C-O 3.59Å; A78-Y88 WeakPolarHBondContact CA-O 2.77Å; A78-W89 HydrophobicContact CB-CD2 3.69Å; A78-W89 HydrophobicContact CB-CE3 3.9Å; A78-W89 HydrophobicContact CB-CG 4.1Å; A78-W89 HydrophobicContact CB-CH2 4.41Å; A78-W89 HydrophobicContact CB-CZ2 4.22Å; A78-W89 HydrophobicContact CB-CZ3 4.26Å
79	R	91.3	Very high	85	Confident	44 Å²	44	63.4 Å²	63.4	17%	0.166	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.9	171.5	-174.7	-167.3	172.9	-150.1	-12.4	109.1	Y8 S13 W14 G81 D85 Y87 Y88	Y8-R79 VanDerWaalsContact CD2-NE 3.34Å; Y8-R79 HydrophobicContact CE2-CG 4Å; S13-R79 PolarHBondContact OG-NE 3.02Å; S13-R79 VanDerWaalsContact OG-NE 3.15Å; S13-R79 PolarHBondContact OG-NH2 3.45Å; W14-R79 WeakPolarHBondContact O-CA 3.39Å; R79-G81 PolarHBondContact O-N 3.35Å; R79-D85 IonicContact CZ-OD2 3.44Å; R79-D85 IonicContact NH1-OD2 2.78Å; R79-D85 PolarHBondContact NH1-OD2 3.21Å; R79-D85 IonicContact NH2-OD2 3.51Å; R79-Y87 VanDerWaalsContact O-CD1 3.28Å; R79-Y87 WeakPolarHBondContact O-CD1 3.2Å; R79-Y88 PolarHBondContact N-O 2.7Å
80	D	82.1	Confident	85	Confident	31 Å²	31	61.3 Å²	61.3	17%	0.166	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-55.8	128.6	169	-95.6	-8.5	0	0	0	109.6	W14 N16 R31 Y87	W14-D80 HydrophobicContact CB-CB 3.94Å; W14-D80 VanDerWaalsContact CB-OD2 3.31Å; W14-D80 WeakPolarHBondContact CB-OD2 3.38Å; W14-D80 PolarHBondContact O-N 2.74Å; N16-D80 PolarHBondContact ND2-OD1 2.97Å; R31-D80 IonicContact NH1-OD2 3.06Å; R31-D80 PolarHBondContact NH1-OD2 3.22Å; D80-Y87 HydrophobicContact CB-CE1 4.41Å; D80-Y87 VanDerWaalsContact OD1-CE1 3.31Å; D80-Y87 WeakPolarHBondContact OD1-CE1 3.44Å
81	G	69.1	Low	85.3	Confident	23 Å²	23	63.7 Å²	63.7	24%	0.237	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-78.5	158.4	169.4	0	0	0	0	0	112	R79 D85	R79-G81 PolarHBondContact O-N 3.35Å; G81-D85 CarbonylContact C-O 3.6Å; G81-D85 VanDerWaalsContact C-O 3.28Å; G81-D85 WeakPolarHBondContact CA-O 3.06Å
82	S	66.6	Low	85.4	Confident	72 Å²	72	65 Å²	65	50%	0.503	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-105.1	175.5	163.1	74.1	0	0	0	0	109.6	Y84 D85	S82-Y84 PolarHBondContact O-N 2.82Å; S82-Y84 PolarHBondContact OG-N 2.87Å; S82-D85 PolarHBondContact N-O 3.03Å; S82-D85 CarbonylContact O-C 3.51Å; S82-D85 PolarHBondContact O-N 2.8Å; S82-D85 PolarHBondContact OG-N 3.12Å
83	S	67.1	Low	85.5	Confident	110 Å²	110	66.7 Å²	66.7	77%	0.769	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.8	173.5	51	0	0	0	0	114
84	Y	60.7	Low	85.5	Confident	216 Å²	216	71.1 Å²	71.1	85%	0.847	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-6.7	-179.6	-55.9	-75.8	0	0	0	113.6	S82	S82-Y84 PolarHBondContact O-N 2.82Å; S82-Y84 PolarHBondContact OG-N 2.87Å
85	D	63.6	Low	85.4	Confident	35 Å²	35	71.3 Å²	71.3	19%	0.187	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-136.6	107.3	-173	-163.4	17.2	0	0	0	109.2	R79 G81 S82 Y88	R79-D85 IonicContact CZ-OD2 3.44Å; R79-D85 IonicContact NH1-OD2 2.78Å; R79-D85 PolarHBondContact NH1-OD2 3.21Å; R79-D85 IonicContact NH2-OD2 3.51Å; G81-D85 CarbonylContact C-O 3.6Å; G81-D85 VanDerWaalsContact C-O 3.28Å; G81-D85 WeakPolarHBondContact CA-O 3.06Å; S82-D85 PolarHBondContact N-O 3.03Å; S82-D85 CarbonylContact O-C 3.51Å; S82-D85 PolarHBondContact O-N 2.8Å; S82-D85 PolarHBondContact OG-N 3.12Å; D85-Y88 WeakPolarHBondContact OD1-CE2 3.47Å; D85-Y88 PolarHBondContact OD1-OH 3.12Å
86	P	66.5	Low	85.3	Confident	87 Å²	87	76.2 Å²	76.2	57%	0.565	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-65.1	158.2	-175	27.5	-33.9	0	0	0	111.7	Y88	P86-Y88 WeakPolarHBondContact O-CD2 3.46Å; P86-Y88 WeakPolarHBondContact O-CE2 3.38Å; P86-Y88 PolarHBondContact O-N 2.82Å; P86-Y88 VanDerWaalsContact O-N 3.12Å
87	Y	78.4	Confident	85.1	Confident	135 Å²	135	76.1 Å²	76.1	53%	0.529	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-55.5	119.4	172.6	-72.1	-88.1	0	0	0	110.3	R79 D80	R79-Y87 VanDerWaalsContact O-CD1 3.28Å; R79-Y87 WeakPolarHBondContact O-CD1 3.2Å; D80-Y87 HydrophobicContact CB-CE1 4.41Å; D80-Y87 VanDerWaalsContact OD1-CE1 3.31Å; D80-Y87 WeakPolarHBondContact OD1-CE1 3.44Å
88	Y	88.9	Confident	84.8	Confident	121 Å²	121	80.1 Å²	80.1	48%	0.475	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.2	171.1	-64.3	-81.8	0	0	0	109.9	A78 R79 D85 P86	A78-Y88 CarbonylContact C-O 3.59Å; A78-Y88 WeakPolarHBondContact CA-O 2.77Å; R79-Y88 PolarHBondContact N-O 2.7Å; D85-Y88 WeakPolarHBondContact OD1-CE2 3.47Å; D85-Y88 PolarHBondContact OD1-OH 3.12Å; P86-Y88 WeakPolarHBondContact O-CD2 3.46Å; P86-Y88 WeakPolarHBondContact O-CE2 3.38Å; P86-Y88 PolarHBondContact O-N 2.82Å; P86-Y88 VanDerWaalsContact O-N 3.12Å
89	W	93.3	Very high	84.2	Confident	113 Å²	113	85 Å²	85	43%	0.428	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.3	179.6	-68.1	75.8	0	0	0	110.5	V18 L26 F76 A78	V18-W89 HydrophobicContact CB-CH2 4.12Å; V18-W89 HydrophobicContact CB-CZ3 3.85Å; V18-W89 HydrophobicContact CG1-CH2 4.12Å; V18-W89 HydrophobicContact CG1-CZ3 4.09Å; V18-W89 HydrophobicContact CG2-CH2 3.76Å; V18-W89 HydrophobicContact CG2-CZ3 3.87Å; L26-W89 HydrophobicContact CD1-CH2 4.03Å; F76-W89 HydrophobicContact CB-CE3 3.73Å; F76-W89 HydrophobicContact CB-CZ3 3.85Å; F76-W89 HydrophobicContact CD1-CE3 4.48Å; F76-W89 HydrophobicContact CG-CE3 4.17Å; F76-W89 HydrophobicContact CG-CZ3 4.3Å; A78-W89 HydrophobicContact CB-CD2 3.69Å; A78-W89 HydrophobicContact CB-CE3 3.9Å; A78-W89 HydrophobicContact CB-CG 4.1Å; A78-W89 HydrophobicContact CB-CH2 4.41Å; A78-W89 HydrophobicContact CB-CZ2 4.22Å; A78-W89 HydrophobicContact CB-CZ3 4.26Å
90	G	94.8	Very high	83.3	Confident	30 Å²	30	91.2 Å²	91.2	31%	0.309	50%	0.502	S	S	.	.			trans	-67.4	160.6	160.6	0	0	0	0	0	110.6	C77 G92	C77-G90 PolarHBondContact O-N 3.23Å; G90-G92 PolarHBondContact O-N 3.1Å
91	Q	95.9	Very high	82.5	Confident	188 Å²	188	94.6 Å²	94.6	88%	0.879	53%	0.528	S	S	*	.			trans	-63.4	-13.1	178.7	-63.7	-60.4	-42.7	0	0	113.7
92	G	96.8	Very high	81.9	Confident	33 Å²	33	100.5 Å²	100.5	34%	0.34	55%	0.549	S	S	.	.			trans	84.4	160.6	-174.6	0	0	0	0	0	112.3	Y75 G90	Y75-G92 CarbonylContact O-C 3.55Å; Y75-G92 WeakPolarHBondContact O-CA 3.26Å; G90-G92 PolarHBondContact O-N 3.1Å
93	T	97.9	Very high	81.6	Confident	68 Å²	68	102.6 Å²	102.6	42%	0.417	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.5	135.5	172.7	-172	0	0	0	0	110	I1 V74 Y75	I1-T93 HydrophobicContact CD1-CG2 4.2Å; I1-T93 HydrophobicContact CG2-CG2 3.74Å; V74-T93 CarbonylContact C-O 3.28Å; V74-T93 WeakPolarHBondContact CA-O 3.3Å; Y75-T93 PolarHBondContact N-O 3.29Å; Y75-T93 PolarHBondContact O-N 2.75Å
94	T	97.7	Very high	81.1	Confident	97 Å²	97	109.5 Å²	109.5	60%	0.595	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.4	124.4	178.5	-57.2	0	0	0	0	109.4
95	L	96.1	Very high	82.1	Confident	45 Å²	45	104.2 Å²	104.2	24%	0.236	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.2	124.5	166.9	175.5	65.6	0	0	0	107.8	L64 L67 S72 A73 Y75 V97	L64-L95 HydrophobicContact CD1-CD2 3.83Å; L67-L95 HydrophobicContact CD1-CD2 4.07Å; L67-L95 HydrophobicContact CD2-CD2 4.28Å; S72-L95 CarbonylContact C-O 3.5Å; S72-L95 VanDerWaalsContact CA-O 3.23Å; S72-L95 WeakPolarHBondContact CA-O 3.41Å; A73-L95 PolarHBondContact N-O 2.87Å; A73-L95 PolarHBondContact O-N 2.78Å; Y75-L95 HydrophobicContact CD2-CB 3.79Å; Y75-L95 HydrophobicContact CD2-CD2 4.39Å; Y75-L95 HydrophobicContact CE2-CB 3.67Å; Y75-L95 HydrophobicContact CE2-CD2 3.76Å; Y75-L95 HydrophobicContact CE2-CG 4.27Å; L95-V97 HydrophobicContact CD2-CG2 4.49Å; L95-V97 HydrophobicContact CG-CG2 4.21Å
96	T	95.8	Very high	83.1	Confident	106 Å²	106	107.8 Å²	107.8	65%	0.65	59%	0.587	S	S	*	*			trans	-114.5	129.2	174.4	-57.4	0	0	0	0	108.5
97	V	93.6	Very high	84	Confident	28 Å²	28	108.9 Å²	108.9	17%	0.17	59%	0.588	C	S	.	*			trans	-119.3	113	177.4	-174.5	0	0	0	0	107.4	L67 T68 S69 D71 S72 L95	L67-V97 HydrophobicContact CB-CG1 4.18Å; L67-V97 HydrophobicContact CB-CG2 4.06Å; L67-V97 HydrophobicContact CD1-CG2 4.17Å; T68-V97 WeakPolarHBondContact O-CB 3Å; T68-V97 WeakPolarHBondContact O-CG1 3.42Å; S69-V97 WeakPolarHBondContact CA-O 3.42Å; D71-V97 HydrophobicContact CB-CG2 4.38Å; S72-V97 PolarHBondContact OG-N 2.89Å; S72-V97 PolarHBondContact OG-O 3.47Å; L95-V97 HydrophobicContact CD2-CG2 4.49Å; L95-V97 HydrophobicContact CG-CG2 4.21Å
98	S	89.9	Confident	84.4	Confident	99 Å²	99	107.4 Å²	107.4	69%	0.692	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-103.7	141.7	174.9	51.3	0	0	0	0	110.2
99	S	82.3	Confident	84.1	Confident	104 Å²	104	106.6 Å²	106.6	73%	0.727	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-73.4	127.2	163.3	50.9	0	0	0	0	108.9	S101	S99-S101 PolarHBondContact O-N 2.59Å
100	E	71.5	Confident	83.5	Confident	174 Å²	174	106.1 Å²	106.1	81%	0.813	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-75.1	119.2	162.5	-82.5	-179.6	169.4	0	0	108.7	Q102	E100-Q102 PolarHBondContact O-N 3.49Å
101	S	65.7	Low	82.7	Confident	103 Å²	103	111.6 Å²	111.6	72%	0.72	63%	0.632	S	S	*	*			trans	-78.8	108.4	159.1	48.3	0	0	0	0	107.3	S99 S103	S99-S101 PolarHBondContact O-N 2.59Å; S101-S103 PolarHBondContact O-N 2.68Å; S101-S103 VanDerWaalsContact O-N 3.1Å
102	Q	56.9	Low	81.6	Confident	146 Å²	146	105.7 Å²	105.7	68%	0.682	61%	0.613	S	S	*	*			trans	-69.4	105.2	162.7	-70.6	-178.5	3.1	0	0	107	E100 F104	E100-Q102 PolarHBondContact O-N 3.49Å; Q102-F104 PolarHBondContact O-N 3.18Å
103	S	60.5	Low	80.4	Confident	116 Å²	116	111.8 Å²	111.8	81%	0.811	64%	0.636	S	S	*	*			trans	-66.5	113.4	167.2	-48.6	0	0	0	0	107.4	S101	S101-S103 PolarHBondContact O-N 2.68Å; S101-S103 VanDerWaalsContact O-N 3.1Å
104	F	56.9	Low	78.8	Confident	255 Å²	255	115.7 Å²	115.7	100%	1.118	66%	0.656	S	S	*	*			trans	-82.4	0	166.2	-74.3	-82.5	0	0	0	110.4	Q102	Q102-F104 PolarHBondContact O-N 3.18Å

Retrieved 104 of 104 residues in 37.5 ms (Link to these results)

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