X5J574_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J574, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 99 aa.

						>X5J574_MOUSE|X5J574
LSCKASGYTFTSYWMHWVKQRPGQGLEWIGYINPSSGYTKYNQKFKDKATLTVDKSSSTAYMQLSSLTSEDSAVYYCARSGDGYYFDYWGQGTTLTVSS
					

Structure Viewer

Loading PAE data...

(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	L	96.8	Very high	94.9	Very high	65 Å²	65	65.8 Å²	65.8	34%	0.34	41%	0.412	S	S	.	.				0	138.6	0	-69.8	159.8	0	0	0	108.7	W17 Y61 M62 L64 Y75 T93	L1-W17 HydrophobicContact CB-CH2 3.97Å; L1-W17 HydrophobicContact CB-CZ3 3.74Å; L1-Y61 VanDerWaalsContact O-CA 3.31Å; L1-Y61 WeakPolarHBondContact O-CA 3.29Å; L1-M62 HydrophobicContact CD1-CE 3.42Å; L1-M62 VanDerWaalsContact CD1-CE 3.42Å; L1-M62 PolarHBondContact N-O 3.25Å; L1-M62 PolarHBondContact O-N 3.25Å; L1-L64 HydrophobicContact CD1-CD1 4.23Å; L1-Y75 HydrophobicContact CD1-CD1 4.04Å; L1-Y75 HydrophobicContact CD1-CD2 4.28Å; L1-Y75 HydrophobicContact CD1-CG 3.71Å; L1-T93 HydrophobicContact CD2-CG2 3.82Å
2	S	97.5	Very high	94.7	Very high	83 Å²	83	66 Å²	66	58%	0.58	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	148.2	177.7	57.5	0	0	0	0	110.3	A60	S2-A60 CarbonylContact C-O 3.5Å; S2-A60 WeakPolarHBondContact CA-O 3.49Å
3	C	97.4	Very high	94.6	Very high	16 Å²	16	66.1 Å²	66.1	11%	0.108	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	105.9	177.1	-179.4	0	0	0	0	108.7	W17 T59 A60 C77	C3-W17 HydrophobicContact CB-CH2 3.82Å; C3-W17 HydrophobicContact CB-CZ2 4.08Å; C3-T59 WeakPolarHBondContact O-CA 3.28Å; C3-A60 PolarHBondContact N-O 3.01Å; C3-A60 PolarHBondContact O-N 2.86Å; C3-C77 HydrophobicContact CB-CB 3.44Å; C3-C77 VanDerWaalsContact CB-CB 3.44Å; C3-C77 WeakPolarHBondContact CB-SG 3.5Å; C3-C77 WeakPolarHBondContact SG-CB 3.47Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.98Å
4	K	97.1	Very high	94.6	Very high	157 Å²	157	66.8 Å²	66.8	68%	0.683	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	124.2	-179.5	-174.1	174.1	-177.9	178.9	0	110.1	T59	K4-T59 HydrophobicContact CB-CG2 4.42Å
5	A	94.8	Very high	94.7	Very high	9 Å²	9	62.6 Å²	62.6	7%	0.074	37%	0.372	C	S	.	.			trans	-76.3	147.7	174.3	0	0	0	0	0	111.3	Y8 F10 S58	A5-Y8 HydrophobicContact CB-CE1 3.85Å; A5-Y8 HydrophobicContact CB-CE2 4.01Å; A5-Y8 VanDerWaalsContact CB-CZ 3.42Å; A5-Y8 VanDerWaalsContact CB-OH 3.23Å; A5-Y8 WeakPolarHBondContact CB-OH 3.09Å; A5-F10 HydrophobicContact CB-CB 4.04Å; A5-F10 HydrophobicContact CB-CD2 3.43Å; A5-F10 VanDerWaalsContact CB-CD2 3.43Å; A5-F10 HydrophobicContact CB-CE2 4.15Å; A5-F10 HydrophobicContact CB-CG 3.98Å; A5-S58 WeakPolarHBondContact CB-O 3.33Å; A5-S58 PolarHBondContact N-O 2.98Å
6	S	93.3	Very high	94.9	Very high	102 Å²	102	59.6 Å²	59.6	71%	0.713	35%	0.353	S	S	*	.			trans	-149.2	145.5	173.6	60.5	0	0	0	0	110.2	Y8	S6-Y8 WeakPolarHBondContact O-CD1 3.25Å; S6-Y8 PolarHBondContact O-N 2.82Å
7	G	92.3	Very high	95.1	Very high	90 Å²	90	56.4 Å²	56.4	93%	0.928	33%	0.333	S	S	*	.	S	Bend	trans	78	12.6	175.8	0	0	0	0	0	116.2
8	Y	90.4	Very high	95.2	Very high	55 Å²	55	53.4 Å²	53.4	22%	0.216	32%	0.316	C	S	.	.	S	Bend	trans	-157.5	165	174.9	63.4	-86.1	0	0	0	112.3	A5 S6 F10 Y13 R79	A5-Y8 HydrophobicContact CB-CE1 3.85Å; A5-Y8 HydrophobicContact CB-CE2 4.01Å; A5-Y8 VanDerWaalsContact CB-CZ 3.42Å; A5-Y8 VanDerWaalsContact CB-OH 3.23Å; A5-Y8 WeakPolarHBondContact CB-OH 3.09Å; S6-Y8 WeakPolarHBondContact O-CD1 3.25Å; S6-Y8 PolarHBondContact O-N 2.82Å; Y8-F10 HydrophobicContact CE2-CD2 4.37Å; Y8-F10 PolarHBondContact O-N 2.8Å; Y8-F10 VanDerWaalsContact O-N 3.08Å; Y8-Y13 AromaticContact CD2-CD2 3.44Å; Y8-Y13 HydrophobicContact CD2-CD2 3.44Å; Y8-Y13 VanDerWaalsContact CD2-CD2 3.44Å; Y8-Y13 AromaticContact CD2-CE2 3.77Å; Y8-Y13 HydrophobicContact CD2-CE2 3.77Å; Y8-Y13 HydrophobicContact CD2-CG 4.26Å; Y8-Y13 AromaticContact CE2-CD2 3.87Å; Y8-Y13 HydrophobicContact CE2-CD2 3.87Å; Y8-Y13 HydrophobicContact CE2-CG 4.31Å; Y8-Y13 HydrophobicContact CG-CD2 4.39Å; Y8-Y13 HydrophobicContact CG-CE2 4.33Å; Y8-R79 HydrophobicContact CE2-CG 4.23Å
9	T	94.1	Very high	95.3	Very high	88 Å²	88	50.6 Å²	50.6	54%	0.54	30%	0.299	S	S	.	.			trans	-70.1	100.1	172.1	-53.7	0	0	0	0	110	T11 S12 Y13	T9-T11 PolarHBondContact O-N 3Å; T9-T11 VanDerWaalsContact O-N 3.13Å; T9-S12 WeakPolarHBondContact CG2-OG 3.42Å; T9-S12 WeakPolarHBondContact O-CB 3.49Å; T9-S12 PolarHBondContact O-N 3.07Å; T9-Y13 WeakPolarHBondContact O-CD2 3.4Å
10	F	94.6	Very high	95.4	Very high	7 Å²	7	51.5 Å²	51.5	3%	0.031	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-53.2	-36.9	-173.7	176.3	-125.7	0	0	0	114.2	A5 Y8 S12 M15 P34 V53 A60	A5-F10 HydrophobicContact CB-CB 4.04Å; A5-F10 HydrophobicContact CB-CD2 3.43Å; A5-F10 VanDerWaalsContact CB-CD2 3.43Å; A5-F10 HydrophobicContact CB-CE2 4.15Å; A5-F10 HydrophobicContact CB-CG 3.98Å; Y8-F10 HydrophobicContact CE2-CD2 4.37Å; Y8-F10 PolarHBondContact O-N 2.8Å; Y8-F10 VanDerWaalsContact O-N 3.08Å; F10-S12 VanDerWaalsContact C-N 3.27Å; F10-S12 PolarHBondContact O-N 3.23Å; F10-M15 HydrophobicContact CE2-CE 3.98Å; F10-P34 HydrophobicContact CD1-CB 3.85Å; F10-P34 HydrophobicContact CD1-CG 4.4Å; F10-P34 HydrophobicContact CD2-CB 4.5Å; F10-P34 HydrophobicContact CD2-CG 4.19Å; F10-P34 HydrophobicContact CE1-CB 3.51Å; F10-P34 HydrophobicContact CE1-CG 4Å; F10-P34 HydrophobicContact CE2-CB 4.19Å; F10-P34 HydrophobicContact CE2-CG 3.74Å; F10-P34 HydrophobicContact CG-CB 4.35Å; F10-P34 HydrophobicContact CZ-CB 3.69Å; F10-P34 HydrophobicContact CZ-CG 3.64Å; F10-V53 HydrophobicContact CE1-CB 4.37Å; F10-V53 HydrophobicContact CE1-CG1 4.37Å; F10-V53 HydrophobicContact CZ-CG1 4.09Å; F10-A60 HydrophobicContact CE2-CB 4.43Å; F10-A60 HydrophobicContact CZ-CB 4.02Å
11	T	95.2	Very high	95.4	Very high	52 Å²	52	51.7 Å²	51.7	32%	0.319	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-74.4	-11.5	-179.2	50.4	0	0	0	0	114.6	T9 Y13 S35 K55	T9-T11 PolarHBondContact O-N 3Å; T9-T11 VanDerWaalsContact O-N 3.13Å; T11-Y13 VanDerWaalsContact C-N 3.32Å; T11-S35 WeakPolarHBondContact O-CB 3.13Å; T11-K55 HydrophobicContact CG2-CD 4.5Å
12	S	93	Very high	95.2	Very high	68 Å²	68	54.3 Å²	54.3	48%	0.476	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-85.3	-2.8	179.1	-58.4	0	0	0	0	113.8	T9 F10	T9-S12 WeakPolarHBondContact CG2-OG 3.42Å; T9-S12 WeakPolarHBondContact O-CB 3.49Å; T9-S12 PolarHBondContact O-N 3.07Å; F10-S12 VanDerWaalsContact C-N 3.27Å; F10-S12 PolarHBondContact O-N 3.23Å
13	Y	92.9	Very high	94.9	Very high	67 Å²	67	54.8 Å²	54.8	26%	0.263	34%	0.335	S	S	.	.	S	Bend	trans	-134.5	156.2	-172.7	-65.2	-92.5	0	0	0	111.6	Y8 T9 T11 P34 R79 S80	Y8-Y13 AromaticContact CD2-CD2 3.44Å; Y8-Y13 HydrophobicContact CD2-CD2 3.44Å; Y8-Y13 VanDerWaalsContact CD2-CD2 3.44Å; Y8-Y13 AromaticContact CD2-CE2 3.77Å; Y8-Y13 HydrophobicContact CD2-CE2 3.77Å; Y8-Y13 HydrophobicContact CD2-CG 4.26Å; Y8-Y13 AromaticContact CE2-CD2 3.87Å; Y8-Y13 HydrophobicContact CE2-CD2 3.87Å; Y8-Y13 HydrophobicContact CE2-CG 4.31Å; Y8-Y13 HydrophobicContact CG-CD2 4.39Å; Y8-Y13 HydrophobicContact CG-CE2 4.33Å; T9-Y13 WeakPolarHBondContact O-CD2 3.4Å; T11-Y13 VanDerWaalsContact C-N 3.32Å; Y13-P34 WeakPolarHBondContact O-CD 3.44Å; Y13-P34 WeakPolarHBondContact O-CG 3.45Å; Y13-R79 VanDerWaalsContact CB-CG 3.43Å; Y13-R79 HydrophobicContact CD1-CG 3.75Å; Y13-R79 VanDerWaalsContact CG-CD 3.49Å; Y13-R79 HydrophobicContact CG-CG 3.7Å; Y13-S80 WeakPolarHBondContact CB-O 3.41Å
14	W	94.9	Very high	94.8	Very high	76 Å²	76	58.7 Å²	58.7	29%	0.288	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142.2	176.3	-62.8	26.2	0	0	0	108.9	Y31 N33 R79 S80	W14-Y31 HydrophobicContact CD2-CD2 4.21Å; W14-Y31 HydrophobicContact CD2-CE2 4.13Å; W14-Y31 HydrophobicContact CE3-CD1 4.02Å; W14-Y31 AromaticContact CE3-CD2 3.47Å; W14-Y31 HydrophobicContact CE3-CD2 3.47Å; W14-Y31 VanDerWaalsContact CE3-CD2 3.47Å; W14-Y31 AromaticContact CE3-CE1 3.86Å; W14-Y31 HydrophobicContact CE3-CE1 3.86Å; W14-Y31 AromaticContact CE3-CE2 3.24Å; W14-Y31 HydrophobicContact CE3-CE2 3.24Å; W14-Y31 AromaticContact CE3-CG 3.9Å; W14-Y31 HydrophobicContact CE3-CG 3.9Å; W14-Y31 AromaticContact CE3-CZ 3.49Å; W14-Y31 VanDerWaalsContact CE3-CZ 3.49Å; W14-Y31 HydrophobicContact CH2-CE2 4.06Å; W14-Y31 AromaticContact CH2-CZ 3.98Å; W14-Y31 HydrophobicContact CZ3-CD1 4.27Å; W14-Y31 AromaticContact CZ3-CD2 3.97Å; W14-Y31 HydrophobicContact CZ3-CD2 3.97Å; W14-Y31 AromaticContact CZ3-CE1 3.62Å; W14-Y31 HydrophobicContact CZ3-CE1 3.62Å; W14-Y31 AromaticContact CZ3-CE2 3.24Å; W14-Y31 HydrophobicContact CZ3-CE2 3.24Å; W14-Y31 HydrophobicContact CZ3-CG 4.47Å; W14-Y31 AromaticContact CZ3-CZ 3.06Å; W14-Y31 WeakPolarHBondContact CZ3-OH 3.26Å; W14-N33 PolarHBondContact NE1-ND2 2.89Å; W14-R79 WeakPolarHBondContact O-CA 3.41Å; W14-S80 PolarHBondContact N-O 3.14Å; W14-S80 PolarHBondContact O-N 3.26Å; W14-S80 VanDerWaalsContact O-N 3.12Å
15	M	96.5	Very high	94.6	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.02	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.2	176.3	-172.5	60.5	65.5	0	0	110	F10 Y31 I32 A60 C77 A78	F10-M15 HydrophobicContact CE2-CE 3.98Å; M15-Y31 CarbonylContact O-C 3.52Å; M15-Y31 WeakPolarHBondContact O-CA 3.42Å; M15-Y31 WeakPolarHBondContact O-CB 3.21Å; M15-I32 HydrophobicContact CB-CG2 4.12Å; M15-I32 PolarHBondContact N-O 2.83Å; M15-I32 PolarHBondContact O-N 2.93Å; M15-A60 HydrophobicContact CB-CB 4.08Å; M15-A60 HydrophobicContact CG-CB 3.57Å; M15-C77 HydrophobicContact SD-CB 3.75Å; M15-A78 VanDerWaalsContact SD-O 3.39Å
16	H	97.1	Very high	94.7	Very high	15 Å²	15	58 Å²	58	7%	0.069	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	149.7	179.2	-68.2	-111.4	0	0	0	111	W28 G30 Y31 C77 A78 S80 F86	H16-W28 AromaticContact CG-NE1 3.91Å; H16-W28 AromaticContact ND1-CD1 3.87Å; H16-W28 AromaticContact ND1-CE2 3.93Å; H16-W28 AromaticContact ND1-NE1 3.09Å; H16-W28 PolarHBondContact ND1-NE1 2.84Å; H16-G30 WeakPolarHBondContact CA-O 3.38Å; H16-Y31 AromaticContact CE1-CD1 3.33Å; H16-Y31 WeakPolarHBondContact CE1-CD1 3.35Å; H16-Y31 AromaticContact CE1-CG 3.71Å; H16-Y31 AromaticContact ND1-CD1 3.8Å; H16-Y31 AromaticContact NE2-CD1 3.98Å; H16-Y31 AromaticContact NE2-CG 3.96Å; H16-C77 CarbonylContact O-C 3.54Å; H16-C77 WeakPolarHBondContact O-CA 3.4Å; H16-A78 HydrophobicContact CB-CB 4.42Å; H16-A78 PolarHBondContact N-O 3.27Å; H16-A78 PolarHBondContact O-N 2.84Å; H16-S80 PolarHBondContact CD2-OG 3.49Å; H16-S80 PolarHBondContact NE2-OG 3.36Å; H16-F86 HydrophobicContact CB-CD1 4.31Å; H16-F86 HydrophobicContact CB-CE1 3.66Å; H16-F86 HydrophobicContact CB-CZ 4.19Å; H16-F86 AromaticContact CD2-CE1 3.65Å; H16-F86 AromaticContact CE1-CE1 3.67Å; H16-F86 AromaticContact CG-CE1 3.25Å; H16-F86 AromaticContact CG-CZ 3.96Å; H16-F86 AromaticContact ND1-CE1 3.26Å; H16-F86 VanDerWaalsContact ND1-CE1 3.26Å; H16-F86 WeakPolarHBondContact ND1-CE1 3.39Å; H16-F86 AromaticContact ND1-CZ 3.66Å; H16-F86 AromaticContact NE2-CE1 3.93Å
17	W	97.9	Very high	94.8	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.019	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.5	173.8	-67.3	91	0	0	0	110	L1 C3 I29 G30 L51 A60 M62 Y76 C77	L1-W17 HydrophobicContact CB-CH2 3.97Å; L1-W17 HydrophobicContact CB-CZ3 3.74Å; C3-W17 HydrophobicContact CB-CH2 3.82Å; C3-W17 HydrophobicContact CB-CZ2 4.08Å; W17-I29 HydrophobicContact CB-CB 4.15Å; W17-I29 HydrophobicContact CB-CD1 4.27Å; W17-I29 WeakPolarHBondContact O-CB 3.49Å; W17-I29 PolarHBondContact O-N 2.9Å; W17-G30 PolarHBondContact N-O 3.35Å; W17-L51 VanDerWaalsContact CD1-CD2 3.45Å; W17-L51 HydrophobicContact CG-CD2 4.05Å; W17-A60 HydrophobicContact CZ2-CB 4.27Å; W17-M62 HydrophobicContact CB-CE 4.33Å; W17-M62 HydrophobicContact CB-SD 3.74Å; W17-M62 HydrophobicContact CD2-CB 3.64Å; W17-M62 HydrophobicContact CD2-CE 4.13Å; W17-M62 HydrophobicContact CD2-CG 4.44Å; W17-M62 HydrophobicContact CD2-SD 4Å; W17-M62 HydrophobicContact CE3-CB 3.93Å; W17-M62 HydrophobicContact CE3-CE 3.67Å; W17-M62 HydrophobicContact CE3-SD 4.18Å; W17-M62 HydrophobicContact CG-CB 4.15Å; W17-M62 HydrophobicContact CG-CE 4.44Å; W17-M62 HydrophobicContact CG-SD 3.84Å; W17-M62 HydrophobicContact CH2-CB 4.11Å; W17-M62 HydrophobicContact CZ2-CB 3.85Å; W17-M62 HydrophobicContact CZ3-CB 4.15Å; W17-M62 HydrophobicContact CZ3-CE 4.32Å; W17-Y76 WeakPolarHBondContact CA-O 3.46Å; W17-C77 HydrophobicContact CE3-CB 4.24Å; W17-C77 HydrophobicContact CH2-CB 4.35Å; W17-C77 HydrophobicContact CZ3-CB 4.16Å
18	V	97.8	Very high	95	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.6	-173.7	-176.1	0	0	0	0	109.5	L26 E27 Y75 Y76 W89	V18-L26 HydrophobicContact CG1-CB 3.83Å; V18-L26 HydrophobicContact CG1-CD2 3.94Å; V18-L26 HydrophobicContact CG1-CG 4.38Å; V18-E27 WeakPolarHBondContact CA-O 3.19Å; V18-E27 WeakPolarHBondContact CG1-O 3.22Å; V18-Y75 CarbonylContact O-C 3.43Å; V18-Y75 WeakPolarHBondContact O-CA 3.36Å; V18-Y76 PolarHBondContact N-O 3.36Å; V18-Y76 PolarHBondContact O-N 2.71Å; V18-W89 HydrophobicContact CB-CH2 4Å; V18-W89 HydrophobicContact CB-CZ3 3.74Å; V18-W89 HydrophobicContact CG1-CH2 3.95Å; V18-W89 HydrophobicContact CG1-CZ3 3.95Å; V18-W89 HydrophobicContact CG2-CH2 3.67Å; V18-W89 HydrophobicContact CG2-CZ3 3.79Å
19	K	97.3	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.3	175.4	-176.8	-177.5	-179.3	-174.8	0	109.5	R21 E27 I29 F45 E70 D71 A73 Y75	K19-R21 VanDerWaalsContact NZ-NH2 3.12Å; K19-E27 HydrophobicContact CB-CB 4.38Å; K19-E27 PolarHBondContact N-O 3.36Å; K19-E27 PolarHBondContact O-N 2.88Å; K19-I29 HydrophobicContact CB-CD1 4.05Å; K19-I29 HydrophobicContact CB-CG1 4.21Å; K19-F45 HydrophobicContact CD-CE1 4.03Å; K19-F45 HydrophobicContact CD-CZ 4.15Å; K19-E70 PolarHBondContact NZ-O 3.06Å; K19-D71 IonicContact NZ-OD1 3.36Å; K19-D71 PolarHBondContact NZ-OD1 2.95Å; K19-A73 HydrophobicContact CD-CB 4.14Å; K19-A73 HydrophobicContact CG-CB 3.48Å; K19-A73 VanDerWaalsContact CG-CB 3.48Å; K19-Y75 HydrophobicContact CB-CD1 4.2Å; K19-Y75 HydrophobicContact CB-CE1 3.98Å; K19-Y75 HydrophobicContact CD-CE1 4.11Å; K19-Y75 HydrophobicContact CG-CD1 4.37Å; K19-Y75 HydrophobicContact CG-CE1 3.87Å
20	Q	97.6	Very high	95.5	Very high	67 Å²	67	46.8 Å²	46.8	31%	0.313	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	115.1	170.5	-168.6	-177.8	24.9	0	0	110.1	L26 A73 V74 Y76	Q20-L26 HydrophobicContact CB-CD2 3.95Å; Q20-L26 HydrophobicContact CG-CD2 4.04Å; Q20-A73 WeakPolarHBondContact O-CA 3.01Å; Q20-A73 VanDerWaalsContact O-CB 3.29Å; Q20-A73 WeakPolarHBondContact O-CB 3.23Å; Q20-V74 PolarHBondContact N-O 3.15Å; Q20-V74 PolarHBondContact O-N 3.13Å; Q20-Y76 HydrophobicContact CB-CD2 4.47Å; Q20-Y76 HydrophobicContact CB-CE2 3.74Å; Q20-Y76 PolarHBondContact OE1-OH 2.94Å
21	R	95.5	Very high	95.6	Very high	56 Å²	56	47.5 Å²	47.5	21%	0.211	27%	0.274	C	S	.	.			trans	-82.1	150.6	170	-60.4	-165.5	-172.6	90.7	-0.9	110.2	K19 G23 Q24 E27 E70 A73	K19-R21 VanDerWaalsContact NZ-NH2 3.12Å; R21-G23 PolarHBondContact O-N 3.02Å; R21-Q24 HydrophobicContact CB-CB 4.01Å; R21-Q24 HydrophobicContact CB-CG 4.01Å; R21-Q24 PolarHBondContact O-N 3.43Å; R21-E27 IonicContact CZ-OE1 3.93Å; R21-E27 IonicContact NH1-OE1 3.02Å; R21-E27 PolarHBondContact NH1-OE1 2.84Å; R21-E27 IonicContact NH2-OE1 2.71Å; R21-E70 PolarHBondContact NE-O 2.87Å; R21-E70 PolarHBondContact NH2-O 2.93Å; R21-A73 HydrophobicContact CG-CB 4.3Å
22	P	91.6	Very high	95.7	Very high	120 Å²	120	45.3 Å²	45.3	78%	0.779	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	127.4	172.2	-25.5	34.7	0	0	0	111.3	Q24	P22-Q24 PolarHBondContact O-N 2.89Å
23	G	92.3	Very high	95.8	Very high	93 Å²	93	43.4 Å²	43.4	96%	0.959	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	4.9	-179.7	0	0	0	0	0	115.8	R21	R21-G23 PolarHBondContact O-N 3.02Å
24	Q	93.8	Very high	96	Very high	98 Å²	98	40.2 Å²	40.2	46%	0.458	23%	0.232	S	C	.	.	S	Bend	trans	-113	161.8	176.2	-58.9	-171.9	-0.7	0	0	111.9	R21 P22	R21-Q24 HydrophobicContact CB-CB 4.01Å; R21-Q24 HydrophobicContact CB-CG 4.01Å; R21-Q24 PolarHBondContact O-N 3.43Å; P22-Q24 PolarHBondContact O-N 2.89Å
25	G	93.8	Very high	96	Very high	55 Å²	55	39.7 Å²	39.7	57%	0.567	24%	0.24	S	C	*	.			trans	-67.9	173.6	173.3	0	0	0	0	0	113.3
26	L	95.7	Very high	96	Very high	98 Å²	98	43.4 Å²	43.4	51%	0.513	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.3	174.5	-64.7	172.9	0	0	0	110.5	V18 Q20 W89	V18-L26 HydrophobicContact CG1-CB 3.83Å; V18-L26 HydrophobicContact CG1-CD2 3.94Å; V18-L26 HydrophobicContact CG1-CG 4.38Å; Q20-L26 HydrophobicContact CB-CD2 3.95Å; Q20-L26 HydrophobicContact CG-CD2 4.04Å; L26-W89 HydrophobicContact CD1-CH2 3.86Å; L26-W89 HydrophobicContact CD1-CZ2 4.36Å; L26-W89 HydrophobicContact CD1-CZ3 4.49Å
27	E	96.6	Very high	95.9	Very high	30 Å²	30	44.3 Å²	44.3	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.3	174.1	-66.1	-167.5	-92.2	0	0	109.8	V18 K19 R21 I29 K44 F45	V18-E27 WeakPolarHBondContact CA-O 3.19Å; V18-E27 WeakPolarHBondContact CG1-O 3.22Å; K19-E27 HydrophobicContact CB-CB 4.38Å; K19-E27 PolarHBondContact N-O 3.36Å; K19-E27 PolarHBondContact O-N 2.88Å; R21-E27 IonicContact CZ-OE1 3.93Å; R21-E27 IonicContact NH1-OE1 3.02Å; R21-E27 PolarHBondContact NH1-OE1 2.84Å; R21-E27 IonicContact NH2-OE1 2.71Å; E27-I29 PolarHBondContact O-N 3.19Å; E27-K44 IonicContact OE2-NZ 3.51Å; E27-K44 PolarHBondContact OE2-NZ 2.93Å; E27-F45 HydrophobicContact CB-CE2 4.4Å; E27-F45 HydrophobicContact CB-CZ 4.32Å
28	W	96.5	Very high	95.9	Very high	69 Å²	69	50.4 Å²	50.4	26%	0.261	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.2	174.9	179.6	71.1	0	0	0	110.7	H16 G30 Y31 K40 N42	H16-W28 AromaticContact CG-NE1 3.91Å; H16-W28 AromaticContact ND1-CD1 3.87Å; H16-W28 AromaticContact ND1-CE2 3.93Å; H16-W28 AromaticContact ND1-NE1 3.09Å; H16-W28 PolarHBondContact ND1-NE1 2.84Å; W28-G30 VanDerWaalsContact CE2-C 3.49Å; W28-G30 PolarHBondContact NE1-O 2.81Å; W28-Y31 HydrophobicContact CH2-CD1 4.13Å; W28-Y31 HydrophobicContact CH2-CE1 4.36Å; W28-Y31 AromaticContact CZ2-CD1 3.37Å; W28-Y31 HydrophobicContact CZ2-CD1 3.37Å; W28-Y31 HydrophobicContact CZ2-CE1 4.01Å; W28-Y31 HydrophobicContact CZ2-CG 4.18Å; W28-K40 HydrophobicContact CH2-CB 4.32Å; W28-K40 HydrophobicContact CH2-CD 4.35Å; W28-K40 HydrophobicContact CH2-CG 4.1Å; W28-N42 HydrophobicContact CE3-CB 3.85Å; W28-N42 HydrophobicContact CZ3-CB 3.96Å; W28-N42 WeakPolarHBondContact O-CB 3.41Å; W28-N42 PolarHBondContact O-ND2 3.04Å
29	I	97.6	Very high	95.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-50	-178.1	-60.8	174.2	0	0	0	110.3	W17 K19 E27 N42 F45 A49 M62 Y75	W17-I29 HydrophobicContact CB-CB 4.15Å; W17-I29 HydrophobicContact CB-CD1 4.27Å; W17-I29 WeakPolarHBondContact O-CB 3.49Å; W17-I29 PolarHBondContact O-N 2.9Å; K19-I29 HydrophobicContact CB-CD1 4.05Å; K19-I29 HydrophobicContact CB-CG1 4.21Å; E27-I29 PolarHBondContact O-N 3.19Å; I29-N42 PolarHBondContact O-N 3.2Å; I29-F45 HydrophobicContact CB-CD2 4.31Å; I29-F45 HydrophobicContact CB-CG 4.3Å; I29-F45 HydrophobicContact CG1-CD1 4.27Å; I29-F45 HydrophobicContact CG1-CD2 4.23Å; I29-F45 HydrophobicContact CG1-CE1 4.29Å; I29-F45 HydrophobicContact CG1-CE2 4.24Å; I29-F45 HydrophobicContact CG1-CG 4.24Å; I29-F45 HydrophobicContact CG1-CZ 4.27Å; I29-F45 HydrophobicContact CG2-CB 3.72Å; I29-F45 HydrophobicContact CG2-CD1 4.33Å; I29-F45 HydrophobicContact CG2-CD2 4.37Å; I29-F45 HydrophobicContact CG2-CG 3.9Å; I29-A49 HydrophobicContact CG2-CB 3.82Å; I29-M62 HydrophobicContact CD1-CE 3.72Å; I29-M62 HydrophobicContact CD1-SD 3.7Å; I29-M62 HydrophobicContact CG2-SD 3.9Å; I29-Y75 HydrophobicContact CD1-CD1 3.76Å; I29-Y75 HydrophobicContact CD1-CE1 3.77Å
30	G	97.1	Very high	95.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.6	175.5	-169.4	0	0	0	0	0	112.3	H16 W17 W28 K40	H16-G30 WeakPolarHBondContact CA-O 3.38Å; W17-G30 PolarHBondContact N-O 3.35Å; W28-G30 VanDerWaalsContact CE2-C 3.49Å; W28-G30 PolarHBondContact NE1-O 2.81Å; G30-K40 CarbonylContact C-O 3.59Å; G30-K40 WeakPolarHBondContact CA-O 3.46Å
31	Y	96.8	Very high	95.8	Very high	22 Å²	22	56.9 Å²	56.9	9%	0.086	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159.9	167.4	68.1	-109.6	0	0	0	111.5	W14 M15 H16 W28 Y38 T39 K40	W14-Y31 HydrophobicContact CD2-CD2 4.21Å; W14-Y31 HydrophobicContact CD2-CE2 4.13Å; W14-Y31 HydrophobicContact CE3-CD1 4.02Å; W14-Y31 AromaticContact CE3-CD2 3.47Å; W14-Y31 HydrophobicContact CE3-CD2 3.47Å; W14-Y31 VanDerWaalsContact CE3-CD2 3.47Å; W14-Y31 AromaticContact CE3-CE1 3.86Å; W14-Y31 HydrophobicContact CE3-CE1 3.86Å; W14-Y31 AromaticContact CE3-CE2 3.24Å; W14-Y31 HydrophobicContact CE3-CE2 3.24Å; W14-Y31 AromaticContact CE3-CG 3.9Å; W14-Y31 HydrophobicContact CE3-CG 3.9Å; W14-Y31 AromaticContact CE3-CZ 3.49Å; W14-Y31 VanDerWaalsContact CE3-CZ 3.49Å; W14-Y31 HydrophobicContact CH2-CE2 4.06Å; W14-Y31 AromaticContact CH2-CZ 3.98Å; W14-Y31 HydrophobicContact CZ3-CD1 4.27Å; W14-Y31 AromaticContact CZ3-CD2 3.97Å; W14-Y31 HydrophobicContact CZ3-CD2 3.97Å; W14-Y31 AromaticContact CZ3-CE1 3.62Å; W14-Y31 HydrophobicContact CZ3-CE1 3.62Å; W14-Y31 AromaticContact CZ3-CE2 3.24Å; W14-Y31 HydrophobicContact CZ3-CE2 3.24Å; W14-Y31 HydrophobicContact CZ3-CG 4.47Å; W14-Y31 AromaticContact CZ3-CZ 3.06Å; W14-Y31 WeakPolarHBondContact CZ3-OH 3.26Å; M15-Y31 CarbonylContact O-C 3.52Å; M15-Y31 WeakPolarHBondContact O-CA 3.42Å; M15-Y31 WeakPolarHBondContact O-CB 3.21Å; H16-Y31 AromaticContact CE1-CD1 3.33Å; H16-Y31 WeakPolarHBondContact CE1-CD1 3.35Å; H16-Y31 AromaticContact CE1-CG 3.71Å; H16-Y31 AromaticContact ND1-CD1 3.8Å; H16-Y31 AromaticContact NE2-CD1 3.98Å; H16-Y31 AromaticContact NE2-CG 3.96Å; W28-Y31 HydrophobicContact CH2-CD1 4.13Å; W28-Y31 HydrophobicContact CH2-CE1 4.36Å; W28-Y31 AromaticContact CZ2-CD1 3.37Å; W28-Y31 HydrophobicContact CZ2-CD1 3.37Å; W28-Y31 HydrophobicContact CZ2-CE1 4.01Å; W28-Y31 HydrophobicContact CZ2-CG 4.18Å; Y31-Y38 AromaticContact CE2-CD1 3.92Å; Y31-Y38 HydrophobicContact CE2-CD1 3.92Å; Y31-Y38 AromaticContact CE2-CE1 3.88Å; Y31-Y38 HydrophobicContact CE2-CE1 3.88Å; Y31-T39 VanDerWaalsContact O-CA 3.29Å; Y31-T39 WeakPolarHBondContact O-CA 3Å; Y31-K40 HydrophobicContact CD1-CB 4.22Å; Y31-K40 HydrophobicContact CD2-CB 4.49Å; Y31-K40 HydrophobicContact CE1-CB 3.61Å; Y31-K40 HydrophobicContact CE1-CD 3.78Å; Y31-K40 HydrophobicContact CE1-CG 4.26Å; Y31-K40 HydrophobicContact CE2-CB 3.93Å; Y31-K40 VanDerWaalsContact CZ-CB 3.42Å; Y31-K40 PolarHBondContact N-O 3.08Å; Y31-K40 PolarHBondContact O-N 3.15Å; Y31-K40 WeakPolarHBondContact OH-CD 3.42Å
32	I	97.3	Very high	95.9	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.026	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.5	170.3	-174.1	157.2	0	0	0	109.6	M15 P34 Y38 T39 L51 V53	M15-I32 HydrophobicContact CB-CG2 4.12Å; M15-I32 PolarHBondContact N-O 2.83Å; M15-I32 PolarHBondContact O-N 2.93Å; I32-P34 WeakPolarHBondContact O-CD 3.34Å; I32-Y38 CarbonylContact C-O 3.6Å; I32-Y38 WeakPolarHBondContact CA-O 3.23Å; I32-T39 HydrophobicContact CB-CG2 3.91Å; I32-T39 HydrophobicContact CD1-CG2 3.65Å; I32-T39 HydrophobicContact CG1-CG2 3.74Å; I32-L51 HydrophobicContact CB-CB 4.13Å; I32-L51 HydrophobicContact CB-CD1 4.42Å; I32-L51 HydrophobicContact CD1-CB 4.27Å; I32-L51 HydrophobicContact CG2-CB 4.41Å; I32-V53 HydrophobicContact CB-CG1 4.49Å; I32-V53 HydrophobicContact CD1-CG1 3.83Å; I32-V53 HydrophobicContact CD1-CG2 4.21Å; I32-V53 HydrophobicContact CG1-CG1 3.97Å; I32-V53 HydrophobicContact CG2-CG1 3.72Å
33	N	96.2	Very high	96.1	Very high	28 Å²	28	57.3 Å²	57.3	15%	0.15	33%	0.329	C	S	.	.			trans	-82.3	113.5	166.9	-179.3	-43.9	0	0	0	108	W14 S35 S36 G37 Y38	W14-N33 PolarHBondContact NE1-ND2 2.89Å; N33-S35 PolarHBondContact O-N 3.42Å; N33-S35 WeakPolarHBondContact OD1-CA 3.13Å; N33-S35 VanDerWaalsContact OD1-CB 3.24Å; N33-S35 WeakPolarHBondContact OD1-CB 3.49Å; N33-S35 PolarHBondContact OD1-N 3.04Å; N33-S36 WeakPolarHBondContact CB-OG 3.33Å; N33-S36 PolarHBondContact O-N 3.02Å; N33-S36 PolarHBondContact OD1-N 2.79Å; N33-S36 VanDerWaalsContact OD1-N 3.14Å; N33-G37 VanDerWaalsContact O-CA 3.26Å; N33-G37 WeakPolarHBondContact O-CA 3.15Å; N33-G37 PolarHBondContact O-N 2.89Å; N33-Y38 PolarHBondContact N-O 2.92Å
34	P	96.2	Very high	96.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19	-177.3	-18.1	32.8	0	0	0	114.3	F10 Y13 I32 V53 K55	F10-P34 HydrophobicContact CD1-CB 3.85Å; F10-P34 HydrophobicContact CD1-CG 4.4Å; F10-P34 HydrophobicContact CD2-CB 4.5Å; F10-P34 HydrophobicContact CD2-CG 4.19Å; F10-P34 HydrophobicContact CE1-CB 3.51Å; F10-P34 HydrophobicContact CE1-CG 4Å; F10-P34 HydrophobicContact CE2-CB 4.19Å; F10-P34 HydrophobicContact CE2-CG 3.74Å; F10-P34 HydrophobicContact CG-CB 4.35Å; F10-P34 HydrophobicContact CZ-CB 3.69Å; F10-P34 HydrophobicContact CZ-CG 3.64Å; Y13-P34 WeakPolarHBondContact O-CD 3.44Å; Y13-P34 WeakPolarHBondContact O-CG 3.45Å; I32-P34 WeakPolarHBondContact O-CD 3.34Å; P34-V53 HydrophobicContact CB-CB 4.49Å; P34-V53 HydrophobicContact CB-CG1 4.04Å; P34-V53 HydrophobicContact CG-CG1 4.3Å; P34-K55 WeakPolarHBondContact O-CE 3.4Å
35	S	95.7	Very high	96.2	Very high	65 Å²	65	55.7 Å²	55.7	46%	0.455	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-53.8	174.7	-175.2	0	0	0	0	111.5	T11 N33 K55	T11-S35 WeakPolarHBondContact O-CB 3.13Å; N33-S35 PolarHBondContact O-N 3.42Å; N33-S35 WeakPolarHBondContact OD1-CA 3.13Å; N33-S35 VanDerWaalsContact OD1-CB 3.24Å; N33-S35 WeakPolarHBondContact OD1-CB 3.49Å; N33-S35 PolarHBondContact OD1-N 3.04Å; S35-K55 PolarHBondContact O-NZ 3.09Å
36	S	95.8	Very high	96.2	Very high	82 Å²	82	58.5 Å²	58.5	57%	0.573	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-16.9	-174.2	62.8	0	0	0	0	114.6	N33 Y38	N33-S36 WeakPolarHBondContact CB-OG 3.33Å; N33-S36 PolarHBondContact O-N 3.02Å; N33-S36 PolarHBondContact OD1-N 2.79Å; N33-S36 VanDerWaalsContact OD1-N 3.14Å; S36-Y38 PolarHBondContact O-N 3.24Å; S36-Y38 VanDerWaalsContact OG-CB 3.31Å; S36-Y38 WeakPolarHBondContact OG-CB 3.02Å; S36-Y38 PolarHBondContact OG-N 3.24Å
37	G	96	Very high	96.1	Very high	35 Å²	35	60.4 Å²	60.4	36%	0.361	30%	0.302	S	S	.	.			trans	72.9	4.6	-169.4	0	0	0	0	0	113.7	N33 T39	N33-G37 VanDerWaalsContact O-CA 3.26Å; N33-G37 WeakPolarHBondContact O-CA 3.15Å; N33-G37 PolarHBondContact O-N 2.89Å; G37-T39 PolarHBondContact O-N 2.85Å
38	Y	96.4	Very high	96	Very high	132 Å²	132	61.8 Å²	61.8	52%	0.518	31%	0.307	S	S	.	.			trans	-61.8	131.5	177.5	176.2	-94.7	0	0	0	110.5	Y31 I32 N33 S36 K40	Y31-Y38 AromaticContact CE2-CD1 3.92Å; Y31-Y38 HydrophobicContact CE2-CD1 3.92Å; Y31-Y38 AromaticContact CE2-CE1 3.88Å; Y31-Y38 HydrophobicContact CE2-CE1 3.88Å; I32-Y38 CarbonylContact C-O 3.6Å; I32-Y38 WeakPolarHBondContact CA-O 3.23Å; N33-Y38 PolarHBondContact N-O 2.92Å; S36-Y38 PolarHBondContact O-N 3.24Å; S36-Y38 VanDerWaalsContact OG-CB 3.31Å; S36-Y38 WeakPolarHBondContact OG-CB 3.02Å; S36-Y38 PolarHBondContact OG-N 3.24Å; Y38-K40 HydrophobicContact CE1-CB 4.29Å
39	T	97.4	Very high	96.1	Very high	46 Å²	46	58.6 Å²	58.6	28%	0.282	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.3	179.9	52.9	0	0	0	0	111.4	Y31 I32 G37 Y41 L51	Y31-T39 VanDerWaalsContact O-CA 3.29Å; Y31-T39 WeakPolarHBondContact O-CA 3Å; I32-T39 HydrophobicContact CB-CG2 3.91Å; I32-T39 HydrophobicContact CD1-CG2 3.65Å; I32-T39 HydrophobicContact CG1-CG2 3.74Å; G37-T39 PolarHBondContact O-N 2.85Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.48Å; T39-L51 HydrophobicContact CG2-CB 4.05Å
40	K	96.7	Very high	96.1	Very high	107 Å²	107	61.9 Å²	61.9	47%	0.465	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.2	167.4	-169.4	-179.9	179.4	177.8	0	108.7	W28 G30 Y31 Y38	W28-K40 HydrophobicContact CH2-CB 4.32Å; W28-K40 HydrophobicContact CH2-CD 4.35Å; W28-K40 HydrophobicContact CH2-CG 4.1Å; G30-K40 CarbonylContact C-O 3.59Å; G30-K40 WeakPolarHBondContact CA-O 3.46Å; Y31-K40 HydrophobicContact CD1-CB 4.22Å; Y31-K40 HydrophobicContact CD2-CB 4.49Å; Y31-K40 HydrophobicContact CE1-CB 3.61Å; Y31-K40 HydrophobicContact CE1-CD 3.78Å; Y31-K40 HydrophobicContact CE1-CG 4.26Å; Y31-K40 HydrophobicContact CE2-CB 3.93Å; Y31-K40 VanDerWaalsContact CZ-CB 3.42Å; Y31-K40 PolarHBondContact N-O 3.08Å; Y31-K40 PolarHBondContact O-N 3.15Å; Y31-K40 WeakPolarHBondContact OH-CD 3.42Å; Y38-K40 HydrophobicContact CE1-CB 4.29Å
41	Y	97.8	Very high	96.1	Very high	53 Å²	53	62.3 Å²	62.3	21%	0.208	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.8	-178.6	-62.5	-89.8	0	0	0	110.6	T39 A49 L51	T39-Y41 WeakPolarHBondContact OG1-CE2 3.48Å; Y41-A49 HydrophobicContact CE1-CB 4.36Å; Y41-A49 WeakPolarHBondContact CE1-O 3.31Å; Y41-L51 HydrophobicContact CE1-CD1 4.02Å; Y41-L51 HydrophobicContact CE1-CG 3.67Å; Y41-L51 PolarHBondContact OH-N 3.05Å
42	N	96.4	Very high	96.2	Very high	47 Å²	47	64.5 Å²	64.5	25%	0.251	33%	0.334	S	S	.	.			trans	-72.5	137	156.2	179.1	-22.9	0	0	0	108.6	W28 I29 K44 F45 K46	W28-N42 HydrophobicContact CE3-CB 3.85Å; W28-N42 HydrophobicContact CZ3-CB 3.96Å; W28-N42 WeakPolarHBondContact O-CB 3.41Å; W28-N42 PolarHBondContact O-ND2 3.04Å; I29-N42 PolarHBondContact O-N 3.2Å; N42-K44 PolarHBondContact O-N 2.03Å; N42-K44 VanDerWaalsContact O-N 3.08Å; N42-K44 PolarHBondContact OD1-N 2.83Å; N42-K44 VanDerWaalsContact OD1-N 3.15Å; N42-F45 HydrophobicContact CB-CD2 4.06Å; N42-F45 PolarHBondContact O-N 2.85Å; N42-K46 PolarHBondContact O-N 2.86Å
43	Q	95.5	Very high	96.3	Very high	138 Å²	138	66.1 Å²	66.1	65%	0.645	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.5	-175.7	-168.2	60.6	27.2	0	0	113	F45	Q43-F45 PolarHBondContact O-N 3.47Å
44	K	92.9	Very high	96.3	Very high	147 Å²	147	67.3 Å²	67.3	64%	0.639	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.7	176.9	-66.2	-173.6	-177	-178.4	0	114.3	E27 N42	E27-K44 IonicContact OE2-NZ 3.51Å; E27-K44 PolarHBondContact OE2-NZ 2.93Å; N42-K44 PolarHBondContact O-N 2.03Å; N42-K44 VanDerWaalsContact O-N 3.08Å; N42-K44 PolarHBondContact OD1-N 2.83Å; N42-K44 VanDerWaalsContact OD1-N 3.15Å
45	F	95.2	Very high	96.3	Very high	10 Å²	10	72.9 Å²	72.9	4%	0.044	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-3.7	-172.1	-60.1	-81.7	0	0	0	113.5	K19 E27 I29 N42 Q43 D47 K48 A49	K19-F45 HydrophobicContact CD-CE1 4.03Å; K19-F45 HydrophobicContact CD-CZ 4.15Å; E27-F45 HydrophobicContact CB-CE2 4.4Å; E27-F45 HydrophobicContact CB-CZ 4.32Å; I29-F45 HydrophobicContact CB-CD2 4.31Å; I29-F45 HydrophobicContact CB-CG 4.3Å; I29-F45 HydrophobicContact CG1-CD1 4.27Å; I29-F45 HydrophobicContact CG1-CD2 4.23Å; I29-F45 HydrophobicContact CG1-CE1 4.29Å; I29-F45 HydrophobicContact CG1-CE2 4.24Å; I29-F45 HydrophobicContact CG1-CG 4.24Å; I29-F45 HydrophobicContact CG1-CZ 4.27Å; I29-F45 HydrophobicContact CG2-CB 3.72Å; I29-F45 HydrophobicContact CG2-CD1 4.33Å; I29-F45 HydrophobicContact CG2-CD2 4.37Å; I29-F45 HydrophobicContact CG2-CG 3.9Å; N42-F45 HydrophobicContact CB-CD2 4.06Å; N42-F45 PolarHBondContact O-N 2.85Å; Q43-F45 PolarHBondContact O-N 3.47Å; F45-D47 PolarHBondContact O-N 3.19Å; F45-K48 PolarHBondContact O-N 3.12Å; F45-A49 HydrophobicContact CB-CB 4.43Å; F45-A49 PolarHBondContact O-N 2.77Å
46	K	93.6	Very high	96.3	Very high	115 Å²	115	75 Å²	75	50%	0.5	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.3	-174.3	-170.4	-179.8	-179.8	-174.9	0	113.2	N42	N42-K46 PolarHBondContact O-N 2.86Å
47	D	94.1	Very high	96.3	Very high	137 Å²	137	72.9 Å²	72.9	73%	0.733	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-1.2	-178.9	-52.3	-41.3	0	0	0	113	F45	F45-D47 PolarHBondContact O-N 3.19Å
48	K	95.1	Very high	96.4	Very high	59 Å²	59	73.1 Å²	73.1	26%	0.257	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-27.9	-179.1	-74.7	-167.3	168.4	-163.3	0	113.6	F45 L64 S65 D71	F45-K48 PolarHBondContact O-N 3.12Å; K48-L64 CarbonylContact O-C 3.59Å; K48-L64 VanDerWaalsContact O-CA 3.31Å; K48-L64 WeakPolarHBondContact O-CA 3.13Å; K48-S65 PolarHBondContact O-N 2.97Å; K48-S65 PolarHBondContact O-OG 2.87Å; K48-D71 IonicContact NZ-OD1 3.51Å; K48-D71 IonicContact NZ-OD2 2.79Å; K48-D71 PolarHBondContact NZ-OD2 2.86Å
49	A	97.5	Very high	96.5	Very high	3 Å²	3	67.2 Å²	67.2	3%	0.025	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.7	-172.3	0	0	0	0	0	111.2	I29 Y41 F45 M62 Q63 L64	I29-A49 HydrophobicContact CG2-CB 3.82Å; Y41-A49 HydrophobicContact CE1-CB 4.36Å; Y41-A49 WeakPolarHBondContact CE1-O 3.31Å; F45-A49 HydrophobicContact CB-CB 4.43Å; F45-A49 PolarHBondContact O-N 2.77Å; A49-M62 HydrophobicContact CB-CG 4.37Å; A49-M62 HydrophobicContact CB-SD 4.31Å; A49-Q63 CarbonylContact C-O 3.48Å; A49-Q63 WeakPolarHBondContact CA-O 3.29Å; A49-L64 HydrophobicContact CB-CD2 3.89Å
50	T	98.3	Very high	96.5	Very high	69 Å²	69	65 Å²	65	42%	0.423	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.2	169.9	-58.8	0	0	0	0	108.7	T52 M62 Q63	T50-T52 HydrophobicContact CG2-CG2 4.3Å; T50-M62 WeakPolarHBondContact O-CA 3.38Å; T50-Q63 PolarHBondContact N-O 2.89Å; T50-Q63 PolarHBondContact O-N 3.22Å
51	L	98.4	Very high	96.6	Very high	9 Å²	9	63.9 Å²	63.9	5%	0.047	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.8	178.4	-52.5	-175.9	0	0	0	110.8	W17 I32 T39 Y41 Y61 M62	W17-L51 VanDerWaalsContact CD1-CD2 3.45Å; W17-L51 HydrophobicContact CG-CD2 4.05Å; I32-L51 HydrophobicContact CB-CB 4.13Å; I32-L51 HydrophobicContact CB-CD1 4.42Å; I32-L51 HydrophobicContact CD1-CB 4.27Å; I32-L51 HydrophobicContact CG2-CB 4.41Å; T39-L51 HydrophobicContact CG2-CB 4.05Å; Y41-L51 HydrophobicContact CE1-CD1 4.02Å; Y41-L51 HydrophobicContact CE1-CG 3.67Å; Y41-L51 PolarHBondContact OH-N 3.05Å; L51-Y61 WeakPolarHBondContact CA-O 3.48Å; L51-M62 HydrophobicContact CD2-CB 3.68Å; L51-M62 HydrophobicContact CD2-CG 3.62Å; L51-M62 HydrophobicContact CD2-SD 3.99Å
52	T	98.4	Very high	96.6	Very high	68 Å²	68	61.4 Å²	61.4	42%	0.417	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	166	175.6	63.8	0	0	0	0	110.9	T50 Y61	T50-T52 HydrophobicContact CG2-CG2 4.3Å; T52-Y61 PolarHBondContact N-O 2.94Å; T52-Y61 PolarHBondContact O-N 2.77Å; T52-Y61 WeakPolarHBondContact OG1-CB 3.36Å
53	V	97.9	Very high	96.7	Very high	38 Å²	38	65.6 Å²	65.6	23%	0.23	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.1	176.9	-69.8	0	0	0	0	110.4	F10 I32 P34 T59 A60	F10-V53 HydrophobicContact CE1-CB 4.37Å; F10-V53 HydrophobicContact CE1-CG1 4.37Å; F10-V53 HydrophobicContact CZ-CG1 4.09Å; I32-V53 HydrophobicContact CB-CG1 4.49Å; I32-V53 HydrophobicContact CD1-CG1 3.83Å; I32-V53 HydrophobicContact CD1-CG2 4.21Å; I32-V53 HydrophobicContact CG1-CG1 3.97Å; I32-V53 HydrophobicContact CG2-CG1 3.72Å; P34-V53 HydrophobicContact CB-CB 4.49Å; P34-V53 HydrophobicContact CB-CG1 4.04Å; P34-V53 HydrophobicContact CG-CG1 4.3Å; V53-T59 WeakPolarHBondContact CA-O 3.41Å; V53-A60 HydrophobicContact CG1-CB 4.15Å
54	D	97.5	Very high	96.8	Very high	54 Å²	54	60.6 Å²	60.6	29%	0.289	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	109.7	163.6	173.6	10.9	0	0	0	108.4	S56 S57 S58 T59 Y61	D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 PolarHBondContact O-N 2.86Å; D54-S56 WeakPolarHBondContact OD1-CB 2.85Å; D54-S56 PolarHBondContact OD1-N 3.32Å; D54-S56 PolarHBondContact OD1-OG 3.47Å; D54-S56 PolarHBondContact OD2-OG 2.91Å; D54-S57 VanDerWaalsContact OD2-CB 3.27Å; D54-S57 WeakPolarHBondContact OD2-CB 3.42Å; D54-S57 PolarHBondContact OD2-OG 3.04Å; D54-S58 PolarHBondContact O-N 3.18Å; D54-S58 VanDerWaalsContact O-N 3.12Å; D54-T59 PolarHBondContact N-O 3.49Å; D54-T59 PolarHBondContact O-N 3.41Å; D54-Y61 HydrophobicContact CB-CE2 3.85Å
55	K	95.6	Very high	96.9	Very high	116 Å²	116	55.9 Å²	55.9	50%	0.504	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-31.4	-178.2	-55.6	-175.3	-168.6	-168.8	0	111.7	T11 P34 S35 S58	T11-K55 HydrophobicContact CG2-CD 4.5Å; P34-K55 WeakPolarHBondContact O-CE 3.4Å; S35-K55 PolarHBondContact O-NZ 3.09Å; K55-S58 PolarHBondContact O-N 2.9Å
56	S	95.4	Very high	96.7	Very high	111 Å²	111	60.3 Å²	60.3	78%	0.776	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-40.7	-176.2	72.1	0	0	0	0	111.6	D54	D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 PolarHBondContact O-N 2.86Å; D54-S56 WeakPolarHBondContact OD1-CB 2.85Å; D54-S56 PolarHBondContact OD1-N 3.32Å; D54-S56 PolarHBondContact OD1-OG 3.47Å; D54-S56 PolarHBondContact OD2-OG 2.91Å
57	S	97	Very high	96.7	Very high	37 Å²	37	57.8 Å²	57.8	26%	0.259	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.4	176.5	66.3	0	0	0	0	113.8	D54 T59	D54-S57 VanDerWaalsContact OD2-CB 3.27Å; D54-S57 WeakPolarHBondContact OD2-CB 3.42Å; D54-S57 PolarHBondContact OD2-OG 3.04Å; S57-T59 VanDerWaalsContact C-N 3.28Å; S57-T59 PolarHBondContact O-N 2.89Å; S57-T59 PolarHBondContact O-OG1 2.8Å; S57-T59 WeakPolarHBondContact OG-CB 3.43Å; S57-T59 PolarHBondContact OG-OG1 2.9Å; S57-T59 VanDerWaalsContact OG-OG1 3.05Å
58	S	97.3	Very high	96.8	Very high	39 Å²	39	54.2 Å²	54.2	27%	0.273	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	44.5	-172.5	-63.8	0	0	0	0	112.8	A5 D54 K55	A5-S58 WeakPolarHBondContact CB-O 3.33Å; A5-S58 PolarHBondContact N-O 2.98Å; D54-S58 PolarHBondContact O-N 3.18Å; D54-S58 VanDerWaalsContact O-N 3.12Å; K55-S58 PolarHBondContact O-N 2.9Å
59	T	98.3	Very high	96.7	Very high	8 Å²	8	55 Å²	55	5%	0.049	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.2	-174.5	-51.9	0	0	0	0	110.9	C3 K4 V53 D54 S57 Y61	C3-T59 WeakPolarHBondContact O-CA 3.28Å; K4-T59 HydrophobicContact CB-CG2 4.42Å; V53-T59 WeakPolarHBondContact CA-O 3.41Å; D54-T59 PolarHBondContact N-O 3.49Å; D54-T59 PolarHBondContact O-N 3.41Å; S57-T59 VanDerWaalsContact C-N 3.28Å; S57-T59 PolarHBondContact O-N 2.89Å; S57-T59 PolarHBondContact O-OG1 2.8Å; S57-T59 WeakPolarHBondContact OG-CB 3.43Å; S57-T59 PolarHBondContact OG-OG1 2.9Å; S57-T59 VanDerWaalsContact OG-OG1 3.05Å; T59-Y61 HydrophobicContact CG2-CD1 4.32Å; T59-Y61 HydrophobicContact CG2-CD2 4.33Å; T59-Y61 HydrophobicContact CG2-CE1 3.69Å; T59-Y61 HydrophobicContact CG2-CE2 3.7Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.31Å
60	A	98.1	Very high	96.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	148.5	166.8	0	0	0	0	0	110.3	S2 C3 F10 M15 W17 V53	S2-A60 CarbonylContact C-O 3.5Å; S2-A60 WeakPolarHBondContact CA-O 3.49Å; C3-A60 PolarHBondContact N-O 3.01Å; C3-A60 PolarHBondContact O-N 2.86Å; F10-A60 HydrophobicContact CE2-CB 4.43Å; F10-A60 HydrophobicContact CZ-CB 4.02Å; M15-A60 HydrophobicContact CB-CB 4.08Å; M15-A60 HydrophobicContact CG-CB 3.57Å; W17-A60 HydrophobicContact CZ2-CB 4.27Å; V53-A60 HydrophobicContact CG1-CB 4.15Å
61	Y	98.5	Very high	96.3	Very high	83 Å²	83	58.2 Å²	58.2	33%	0.325	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147	178.4	-56.3	-90.7	0	0	0	110.8	L1 L51 T52 D54 T59	L1-Y61 VanDerWaalsContact O-CA 3.31Å; L1-Y61 WeakPolarHBondContact O-CA 3.29Å; L51-Y61 WeakPolarHBondContact CA-O 3.48Å; T52-Y61 PolarHBondContact N-O 2.94Å; T52-Y61 PolarHBondContact O-N 2.77Å; T52-Y61 WeakPolarHBondContact OG1-CB 3.36Å; D54-Y61 HydrophobicContact CB-CE2 3.85Å; T59-Y61 HydrophobicContact CG2-CD1 4.32Å; T59-Y61 HydrophobicContact CG2-CD2 4.33Å; T59-Y61 HydrophobicContact CG2-CE1 3.69Å; T59-Y61 HydrophobicContact CG2-CE2 3.7Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.31Å
62	M	98.3	Very high	96.2	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.5	165.9	177.2	171.9	71.8	0	0	108.5	L1 W17 I29 A49 T50 L51 L64 Y75	L1-M62 HydrophobicContact CD1-CE 3.42Å; L1-M62 VanDerWaalsContact CD1-CE 3.42Å; L1-M62 PolarHBondContact N-O 3.25Å; L1-M62 PolarHBondContact O-N 3.25Å; W17-M62 HydrophobicContact CB-CE 4.33Å; W17-M62 HydrophobicContact CB-SD 3.74Å; W17-M62 HydrophobicContact CD2-CB 3.64Å; W17-M62 HydrophobicContact CD2-CE 4.13Å; W17-M62 HydrophobicContact CD2-CG 4.44Å; W17-M62 HydrophobicContact CD2-SD 4Å; W17-M62 HydrophobicContact CE3-CB 3.93Å; W17-M62 HydrophobicContact CE3-CE 3.67Å; W17-M62 HydrophobicContact CE3-SD 4.18Å; W17-M62 HydrophobicContact CG-CB 4.15Å; W17-M62 HydrophobicContact CG-CE 4.44Å; W17-M62 HydrophobicContact CG-SD 3.84Å; W17-M62 HydrophobicContact CH2-CB 4.11Å; W17-M62 HydrophobicContact CZ2-CB 3.85Å; W17-M62 HydrophobicContact CZ3-CB 4.15Å; W17-M62 HydrophobicContact CZ3-CE 4.32Å; I29-M62 HydrophobicContact CD1-CE 3.72Å; I29-M62 HydrophobicContact CD1-SD 3.7Å; I29-M62 HydrophobicContact CG2-SD 3.9Å; A49-M62 HydrophobicContact CB-CG 4.37Å; A49-M62 HydrophobicContact CB-SD 4.31Å; T50-M62 WeakPolarHBondContact O-CA 3.38Å; L51-M62 HydrophobicContact CD2-CB 3.68Å; L51-M62 HydrophobicContact CD2-CG 3.62Å; L51-M62 HydrophobicContact CD2-SD 3.99Å; M62-L64 HydrophobicContact CE-CD1 4.18Å; M62-L64 HydrophobicContact CE-CD2 4.22Å; M62-L64 HydrophobicContact CE-CG 4.26Å; M62-L64 HydrophobicContact CG-CD2 4.2Å; M62-L64 HydrophobicContact CG-CG 4.35Å; M62-L64 HydrophobicContact SD-CD2 4.09Å; M62-Y75 HydrophobicContact CE-CD1 3.59Å; M62-Y75 HydrophobicContact CE-CE1 4.1Å; M62-Y75 HydrophobicContact CE-CG 4.41Å
63	Q	98.1	Very high	96.1	Very high	134 Å²	134	56.3 Å²	56.3	63%	0.626	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.2	168.9	-175.7	174	-0	0	0	108.5	A49 T50	A49-Q63 CarbonylContact C-O 3.48Å; A49-Q63 WeakPolarHBondContact CA-O 3.29Å; T50-Q63 PolarHBondContact N-O 2.89Å; T50-Q63 PolarHBondContact O-N 3.22Å
64	L	96.7	Very high	96.1	Very high	33 Å²	33	56.2 Å²	56.2	17%	0.173	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137	174.1	-64	169.9	0	0	0	108.9	L1 K48 A49 M62 L67 Y75 L95	L1-L64 HydrophobicContact CD1-CD1 4.23Å; K48-L64 CarbonylContact O-C 3.59Å; K48-L64 VanDerWaalsContact O-CA 3.31Å; K48-L64 WeakPolarHBondContact O-CA 3.13Å; A49-L64 HydrophobicContact CB-CD2 3.89Å; M62-L64 HydrophobicContact CE-CD1 4.18Å; M62-L64 HydrophobicContact CE-CD2 4.22Å; M62-L64 HydrophobicContact CE-CG 4.26Å; M62-L64 HydrophobicContact CG-CD2 4.2Å; M62-L64 HydrophobicContact CG-CG 4.35Å; M62-L64 HydrophobicContact SD-CD2 4.09Å; L64-L67 HydrophobicContact CB-CD1 4.28Å; L64-L67 HydrophobicContact CB-CD2 3.8Å; L64-L67 HydrophobicContact CB-CG 4.17Å; L64-L67 HydrophobicContact CD1-CD2 4.09Å; L64-Y75 HydrophobicContact CD1-CD1 4.34Å; L64-Y75 HydrophobicContact CD1-CE1 3.68Å; L64-Y75 HydrophobicContact CD1-CE2 4.41Å; L64-L95 HydrophobicContact CD1-CD2 3.92Å
65	S	95.2	Very high	96.2	Very high	49 Å²	49	53.9 Å²	53.9	34%	0.343	31%	0.307	S	S	.	.			trans	-124.4	157.4	178.2	50.4	0	0	0	0	111.3	K48 L67	K48-S65 PolarHBondContact O-N 2.97Å; K48-S65 PolarHBondContact O-OG 2.87Å; S65-L67 VanDerWaalsContact C-N 3.29Å; S65-L67 PolarHBondContact O-N 2.88Å
66	S	92.4	Very high	96.3	Very high	102 Å²	102	50.4 Å²	50.4	71%	0.713	29%	0.291	S	S	*	.	S	Bend	trans	54.1	44.7	177.7	-52.7	0	0	0	0	113
67	L	93.7	Very high	96.4	Very high	62 Å²	62	45.9 Å²	45.9	33%	0.325	26%	0.259	S	S	.	.			trans	-68	137.7	-178.5	-72.4	172.5	0	0	0	111.3	L64 S65 D71 L95 V97	L64-L67 HydrophobicContact CB-CD1 4.28Å; L64-L67 HydrophobicContact CB-CD2 3.8Å; L64-L67 HydrophobicContact CB-CG 4.17Å; L64-L67 HydrophobicContact CD1-CD2 4.09Å; S65-L67 VanDerWaalsContact C-N 3.29Å; S65-L67 PolarHBondContact O-N 2.88Å; L67-D71 HydrophobicContact CD2-CB 3.53Å; L67-L95 HydrophobicContact CD1-CD2 3.99Å; L67-L95 HydrophobicContact CD2-CD2 4.31Å; L67-V97 HydrophobicContact CB-CG1 4.21Å; L67-V97 HydrophobicContact CB-CG2 4.05Å; L67-V97 HydrophobicContact CD1-CG2 4.2Å
68	T	94.6	Very high	96.3	Very high	63 Å²	63	44.1 Å²	44.1	39%	0.387	25%	0.247	S	C	.	.			trans	-117.3	173.1	170.4	67.7	0	0	0	0	110.5	E70 D71 V97	T68-E70 PolarHBondContact O-N 2.87Å; T68-E70 VanDerWaalsContact O-N 3.15Å; T68-D71 PolarHBondContact N-OD2 3.16Å; T68-D71 WeakPolarHBondContact O-CA 3.44Å; T68-D71 WeakPolarHBondContact O-CB 3.44Å; T68-D71 PolarHBondContact O-N 3.08Å; T68-V97 WeakPolarHBondContact O-CB 3.27Å
69	S	94.4	Very high	96.1	Very high	74 Å²	74	44.5 Å²	44.5	52%	0.517	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-56.3	-30	176.4	54.6	0	0	0	0	113.3	D71 S72 V97	S69-D71 PolarHBondContact O-N 2.88Å; S69-S72 VanDerWaalsContact O-CB 3.28Å; S69-S72 WeakPolarHBondContact O-CB 3.46Å; S69-S72 PolarHBondContact O-N 2.95Å; S69-S72 PolarHBondContact O-OG 3.39Å; S69-V97 WeakPolarHBondContact CA-O 3.4Å
70	E	91.4	Very high	95.8	Very high	134 Å²	134	44.4 Å²	44.4	63%	0.626	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-68.1	-12.2	174.8	-59	-176.3	172	0	0	114.2	K19 R21 T68 S72	K19-E70 PolarHBondContact NZ-O 3.06Å; R21-E70 PolarHBondContact NE-O 2.87Å; R21-E70 PolarHBondContact NH2-O 2.93Å; T68-E70 PolarHBondContact O-N 2.87Å; T68-E70 VanDerWaalsContact O-N 3.15Å; E70-S72 VanDerWaalsContact C-N 3.32Å
71	D	94.4	Very high	95	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.032	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-85	-6.2	172.7	-66.2	-46.7	0	0	0	113.4	K19 K48 L67 T68 S69 A73 Y75	K19-D71 IonicContact NZ-OD1 3.36Å; K19-D71 PolarHBondContact NZ-OD1 2.95Å; K48-D71 IonicContact NZ-OD1 3.51Å; K48-D71 IonicContact NZ-OD2 2.79Å; K48-D71 PolarHBondContact NZ-OD2 2.86Å; L67-D71 HydrophobicContact CD2-CB 3.53Å; T68-D71 PolarHBondContact N-OD2 3.16Å; T68-D71 WeakPolarHBondContact O-CA 3.44Å; T68-D71 WeakPolarHBondContact O-CB 3.44Å; T68-D71 PolarHBondContact O-N 3.08Å; S69-D71 PolarHBondContact O-N 2.88Å; D71-A73 PolarHBondContact O-N 3.36Å; D71-Y75 WeakPolarHBondContact O-CE2 3.43Å; D71-Y75 PolarHBondContact O-OH 2.81Å
72	S	96.6	Very high	93.5	Very high	33 Å²	33	49 Å²	49	23%	0.231	28%	0.275	C	S	.	.			trans	-62.1	118.8	171.3	-58.6	0	0	0	0	111.5	S69 E70 L95 V97	S69-S72 VanDerWaalsContact O-CB 3.28Å; S69-S72 WeakPolarHBondContact O-CB 3.46Å; S69-S72 PolarHBondContact O-N 2.95Å; S69-S72 PolarHBondContact O-OG 3.39Å; E70-S72 VanDerWaalsContact C-N 3.32Å; S72-L95 CarbonylContact C-O 3.59Å; S72-L95 VanDerWaalsContact CA-O 3.25Å; S72-L95 WeakPolarHBondContact CA-O 3.26Å; S72-V97 PolarHBondContact OG-N 3.05Å; S72-V97 PolarHBondContact OG-O 2.9Å
73	A	97.4	Very high	91.8	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.033	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	171	-172.6	0	0	0	0	0	111.2	K19 Q20 R21 D71 Y75 L95	K19-A73 HydrophobicContact CD-CB 4.14Å; K19-A73 HydrophobicContact CG-CB 3.48Å; K19-A73 VanDerWaalsContact CG-CB 3.48Å; Q20-A73 WeakPolarHBondContact O-CA 3.01Å; Q20-A73 VanDerWaalsContact O-CB 3.29Å; Q20-A73 WeakPolarHBondContact O-CB 3.23Å; R21-A73 HydrophobicContact CG-CB 4.3Å; D71-A73 PolarHBondContact O-N 3.36Å; A73-Y75 HydrophobicContact CB-CD2 4.29Å; A73-Y75 HydrophobicContact CB-CE2 3.81Å; A73-L95 PolarHBondContact N-O 2.72Å; A73-L95 PolarHBondContact O-N 3Å
74	V	98.3	Very high	90.1	Very high	36 Å²	36	55.1 Å²	55.1	22%	0.218	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130.3	160.8	-171.6	0	0	0	0	108.5	Q20 Y76	Q20-V74 PolarHBondContact N-O 3.15Å; Q20-V74 PolarHBondContact O-N 3.13Å; V74-Y76 HydrophobicContact CB-CE2 3.9Å; V74-Y76 HydrophobicContact CG1-CD1 4.45Å; V74-Y76 HydrophobicContact CG1-CD2 4.33Å; V74-Y76 HydrophobicContact CG1-CE1 3.78Å; V74-Y76 HydrophobicContact CG1-CE2 3.66Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.47Å
75	Y	98.4	Very high	89	Confident	5 Å²	5	62.6 Å²	62.6	2%	0.02	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.2	178.2	-71.6	-94.9	0	0	0	110.2	L1 V18 K19 I29 M62 L64 D71 A73 G92 T93 L95	L1-Y75 HydrophobicContact CD1-CD1 4.04Å; L1-Y75 HydrophobicContact CD1-CD2 4.28Å; L1-Y75 HydrophobicContact CD1-CG 3.71Å; V18-Y75 CarbonylContact O-C 3.43Å; V18-Y75 WeakPolarHBondContact O-CA 3.36Å; K19-Y75 HydrophobicContact CB-CD1 4.2Å; K19-Y75 HydrophobicContact CB-CE1 3.98Å; K19-Y75 HydrophobicContact CD-CE1 4.11Å; K19-Y75 HydrophobicContact CG-CD1 4.37Å; K19-Y75 HydrophobicContact CG-CE1 3.87Å; I29-Y75 HydrophobicContact CD1-CD1 3.76Å; I29-Y75 HydrophobicContact CD1-CE1 3.77Å; M62-Y75 HydrophobicContact CE-CD1 3.59Å; M62-Y75 HydrophobicContact CE-CE1 4.1Å; M62-Y75 HydrophobicContact CE-CG 4.41Å; L64-Y75 HydrophobicContact CD1-CD1 4.34Å; L64-Y75 HydrophobicContact CD1-CE1 3.68Å; L64-Y75 HydrophobicContact CD1-CE2 4.41Å; D71-Y75 WeakPolarHBondContact O-CE2 3.43Å; D71-Y75 PolarHBondContact O-OH 2.81Å; A73-Y75 HydrophobicContact CB-CD2 4.29Å; A73-Y75 HydrophobicContact CB-CE2 3.81Å; Y75-G92 CarbonylContact O-C 3.5Å; Y75-G92 VanDerWaalsContact O-CA 3.23Å; Y75-G92 WeakPolarHBondContact O-CA 3.31Å; Y75-T93 PolarHBondContact N-O 2.81Å; Y75-T93 PolarHBondContact O-N 3.3Å; Y75-L95 HydrophobicContact CD2-CB 3.8Å; Y75-L95 HydrophobicContact CD2-CD2 4.34Å; Y75-L95 HydrophobicContact CE2-CB 3.74Å; Y75-L95 HydrophobicContact CE2-CD2 3.75Å; Y75-L95 HydrophobicContact CE2-CG 4.32Å
76	Y	98.2	Very high	88.4	Confident	43 Å²	43	63.9 Å²	63.9	17%	0.169	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	148.2	-179.4	-54.8	-89.2	0	0	0	110.5	W17 V18 Q20 V74 W89	W17-Y76 WeakPolarHBondContact CA-O 3.46Å; V18-Y76 PolarHBondContact N-O 3.36Å; V18-Y76 PolarHBondContact O-N 2.71Å; Q20-Y76 HydrophobicContact CB-CD2 4.47Å; Q20-Y76 HydrophobicContact CB-CE2 3.74Å; Q20-Y76 PolarHBondContact OE1-OH 2.94Å; V74-Y76 HydrophobicContact CB-CE2 3.9Å; V74-Y76 HydrophobicContact CG1-CD1 4.45Å; V74-Y76 HydrophobicContact CG1-CD2 4.33Å; V74-Y76 HydrophobicContact CG1-CE1 3.78Å; V74-Y76 HydrophobicContact CG1-CE2 3.66Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.47Å; Y76-W89 HydrophobicContact CD1-CE3 4.47Å; Y76-W89 HydrophobicContact CD2-CZ3 4.44Å; Y76-W89 HydrophobicContact CG-CE3 4.05Å; Y76-W89 HydrophobicContact CG-CZ3 4.2Å
77	C	97.1	Very high	88	Confident	16 Å²	16	63.4 Å²	63.4	11%	0.108	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	146.2	158.1	61.5	0	0	0	0	109.4	C3 M15 H16 W17 G90	C3-C77 HydrophobicContact CB-CB 3.44Å; C3-C77 VanDerWaalsContact CB-CB 3.44Å; C3-C77 WeakPolarHBondContact CB-SG 3.5Å; C3-C77 WeakPolarHBondContact SG-CB 3.47Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.98Å; M15-C77 HydrophobicContact SD-CB 3.75Å; H16-C77 CarbonylContact O-C 3.54Å; H16-C77 WeakPolarHBondContact O-CA 3.4Å; W17-C77 HydrophobicContact CE3-CB 4.24Å; W17-C77 HydrophobicContact CH2-CB 4.35Å; W17-C77 HydrophobicContact CZ3-CB 4.16Å; C77-G90 PolarHBondContact O-N 3.5Å
78	A	96	Very high	87.8	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.9	176.8	0	0	0	0	0	110.8	M15 H16 F86 Y88 W89	M15-A78 VanDerWaalsContact SD-O 3.39Å; H16-A78 HydrophobicContact CB-CB 4.42Å; H16-A78 PolarHBondContact N-O 3.27Å; H16-A78 PolarHBondContact O-N 2.84Å; A78-F86 HydrophobicContact CB-CB 4.25Å; A78-F86 HydrophobicContact CB-CD1 4.04Å; A78-F86 HydrophobicContact CB-CG 4.11Å; A78-Y88 CarbonylContact C-O 3.59Å; A78-Y88 VanDerWaalsContact CA-O 3.22Å; A78-Y88 WeakPolarHBondContact CA-O 3.11Å; A78-W89 HydrophobicContact CB-CD2 3.71Å; A78-W89 HydrophobicContact CB-CE3 4Å; A78-W89 HydrophobicContact CB-CG 4.1Å; A78-W89 HydrophobicContact CB-CZ2 4.28Å; A78-W89 HydrophobicContact CB-CZ3 4.39Å
79	R	93.1	Very high	87.8	Confident	47 Å²	47	67.8 Å²	67.8	18%	0.177	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.2	177.7	-171.9	-170	75.6	-178.1	-1.2	110.2	Y8 Y13 W14 F86 D87 Y88	Y8-R79 HydrophobicContact CE2-CG 4.23Å; Y13-R79 VanDerWaalsContact CB-CG 3.43Å; Y13-R79 HydrophobicContact CD1-CG 3.75Å; Y13-R79 VanDerWaalsContact CG-CD 3.49Å; Y13-R79 HydrophobicContact CG-CG 3.7Å; W14-R79 WeakPolarHBondContact O-CA 3.41Å; R79-F86 CarbonylContact O-C 3.59Å; R79-D87 PolarHBondContact O-N 3.41Å; R79-Y88 PolarHBondContact N-O 2.92Å
80	S	90.4	Very high	87.8	Confident	5 Å²	5	65.3 Å²	65.3	4%	0.035	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.6	165.1	65	0	0	0	0	111.4	Y13 W14 H16 Y85	Y13-S80 WeakPolarHBondContact CB-O 3.41Å; W14-S80 PolarHBondContact N-O 3.14Å; W14-S80 PolarHBondContact O-N 3.26Å; W14-S80 VanDerWaalsContact O-N 3.12Å; H16-S80 PolarHBondContact CD2-OG 3.49Å; H16-S80 PolarHBondContact NE2-OG 3.36Å; S80-Y85 WeakPolarHBondContact CB-O 3.24Å
81	G	81.8	Confident	88.1	Confident	15 Å²	15	67.1 Å²	67.1	16%	0.155	33%	0.325	C	S	.	.			trans	-79.4	-155.8	167.9	0	0	0	0	0	112.8	G83 D87	G81-G83 PolarHBondContact O-N 3.39Å; G81-D87 PolarHBondContact N-OD2 3.12Å
82	D	68.1	Low	88.2	Confident	164 Å²	164	68 Å²	68	88%	0.877	34%	0.335	S	S	*	.	S	Bend	trans	-69.8	-7.6	176.1	-67.9	-37.7	0	0	0	113.4
83	G	61.6	Low	88.2	Confident	42 Å²	42	70.1 Å²	70.1	43%	0.433	35%	0.347	S	S	.	.	S	Bend	trans	-94.2	141.7	169.5	0	0	0	0	0	111.6	G81 Y85	G81-G83 PolarHBondContact O-N 3.39Å; G83-Y85 PolarHBondContact O-N 2.78Å
84	Y	62	Low	88.2	Confident	223 Å²	223	74.6 Å²	74.6	88%	0.875	37%	0.374	S	S	*	.	S	Bend	trans	-66.2	13.7	-174.6	-61.8	-76	0	0	0	116.2
85	Y	74.6	Confident	88.1	Confident	191 Å²	191	75 Å²	75	75%	0.749	37%	0.374	S	S	*	.	S	Bend	trans	-103.5	145.4	-177.6	-60	-74	0	0	0	111.5	S80 G83 D87	S80-Y85 WeakPolarHBondContact CB-O 3.24Å; G83-Y85 PolarHBondContact O-N 2.78Å; Y85-D87 PolarHBondContact O-N 3.31Å
86	F	82.2	Confident	88	Confident	76 Å²	76	80 Å²	80	33%	0.333	41%	0.405	S	S	.	.			trans	-80.6	113.2	173.3	-60.4	-47.4	0	0	0	110.2	H16 A78 R79 W89	H16-F86 HydrophobicContact CB-CD1 4.31Å; H16-F86 HydrophobicContact CB-CE1 3.66Å; H16-F86 HydrophobicContact CB-CZ 4.19Å; H16-F86 AromaticContact CD2-CE1 3.65Å; H16-F86 AromaticContact CE1-CE1 3.67Å; H16-F86 AromaticContact CG-CE1 3.25Å; H16-F86 AromaticContact CG-CZ 3.96Å; H16-F86 AromaticContact ND1-CE1 3.26Å; H16-F86 VanDerWaalsContact ND1-CE1 3.26Å; H16-F86 WeakPolarHBondContact ND1-CE1 3.39Å; H16-F86 AromaticContact ND1-CZ 3.66Å; H16-F86 AromaticContact NE2-CE1 3.93Å; A78-F86 HydrophobicContact CB-CB 4.25Å; A78-F86 HydrophobicContact CB-CD1 4.04Å; A78-F86 HydrophobicContact CB-CG 4.11Å; R79-F86 CarbonylContact O-C 3.59Å; F86-W89 HydrophobicContact CB-CZ2 4.12Å; F86-W89 HydrophobicContact CD2-CH2 4.23Å; F86-W89 AromaticContact CD2-CZ2 3.43Å; F86-W89 HydrophobicContact CD2-CZ2 3.43Å; F86-W89 VanDerWaalsContact CD2-CZ2 3.43Å; F86-W89 HydrophobicContact CE2-CZ2 4.12Å; F86-W89 AromaticContact CG-CZ2 3.97Å; F86-W89 HydrophobicContact CG-CZ2 3.97Å
87	D	82.6	Confident	87.9	Confident	92 Å²	92	79.3 Å²	79.3	49%	0.492	41%	0.405	S	S	.	.			trans	-80.1	-38.2	-176	-58.1	-36.9	0	0	0	112.1	R79 G81 Y85	R79-D87 PolarHBondContact O-N 3.41Å; G81-D87 PolarHBondContact N-OD2 3.12Å; Y85-D87 PolarHBondContact O-N 3.31Å
88	Y	90	Very high	87.6	Confident	139 Å²	139	83.6 Å²	83.6	55%	0.545	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.8	-175.8	-173.6	-94.5	0	0	0	111.3	A78 R79	A78-Y88 CarbonylContact C-O 3.59Å; A78-Y88 VanDerWaalsContact CA-O 3.22Å; A78-Y88 WeakPolarHBondContact CA-O 3.11Å; R79-Y88 PolarHBondContact N-O 2.92Å
89	W	95	Very high	86.8	Confident	78 Å²	78	92 Å²	92	30%	0.295	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.5	179.8	-69.9	72.4	0	0	0	110.7	V18 L26 Y76 A78 F86	V18-W89 HydrophobicContact CB-CH2 4Å; V18-W89 HydrophobicContact CB-CZ3 3.74Å; V18-W89 HydrophobicContact CG1-CH2 3.95Å; V18-W89 HydrophobicContact CG1-CZ3 3.95Å; V18-W89 HydrophobicContact CG2-CH2 3.67Å; V18-W89 HydrophobicContact CG2-CZ3 3.79Å; L26-W89 HydrophobicContact CD1-CH2 3.86Å; L26-W89 HydrophobicContact CD1-CZ2 4.36Å; L26-W89 HydrophobicContact CD1-CZ3 4.49Å; Y76-W89 HydrophobicContact CD1-CE3 4.47Å; Y76-W89 HydrophobicContact CD2-CZ3 4.44Å; Y76-W89 HydrophobicContact CG-CE3 4.05Å; Y76-W89 HydrophobicContact CG-CZ3 4.2Å; A78-W89 HydrophobicContact CB-CD2 3.71Å; A78-W89 HydrophobicContact CB-CE3 4Å; A78-W89 HydrophobicContact CB-CG 4.1Å; A78-W89 HydrophobicContact CB-CZ2 4.28Å; A78-W89 HydrophobicContact CB-CZ3 4.39Å; F86-W89 HydrophobicContact CB-CZ2 4.12Å; F86-W89 HydrophobicContact CD2-CH2 4.23Å; F86-W89 AromaticContact CD2-CZ2 3.43Å; F86-W89 HydrophobicContact CD2-CZ2 3.43Å; F86-W89 VanDerWaalsContact CD2-CZ2 3.43Å; F86-W89 HydrophobicContact CE2-CZ2 4.12Å; F86-W89 AromaticContact CG-CZ2 3.97Å; F86-W89 HydrophobicContact CG-CZ2 3.97Å
90	G	95.5	Very high	86.5	Confident	22 Å²	22	94.3 Å²	94.3	23%	0.227	51%	0.511	C	S	.	.			trans	-65.3	160.3	164.3	0	0	0	0	0	111	C77 G92	C77-G90 PolarHBondContact O-N 3.5Å; G90-G92 PolarHBondContact O-N 2.58Å
91	Q	96.1	Very high	86.3	Confident	172 Å²	172	99 Å²	99	80%	0.804	54%	0.536	S	S	*	.			trans	-63	-14.2	-179.5	-64.1	-62	-46.4	0	0	113.9
92	G	96.8	Very high	86.6	Confident	24 Å²	24	103.7 Å²	103.7	25%	0.247	56%	0.557	C	S	.	*			trans	87	160	-176.2	0	0	0	0	0	112.4	Y75 G90	Y75-G92 CarbonylContact O-C 3.5Å; Y75-G92 VanDerWaalsContact O-CA 3.23Å; Y75-G92 WeakPolarHBondContact O-CA 3.31Å; G90-G92 PolarHBondContact O-N 2.58Å
93	T	97.7	Very high	87.6	Confident	78 Å²	78	100.1 Å²	100.1	48%	0.479	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.4	173.7	-65.4	0	0	0	0	108.7	L1 Y75 L95	L1-T93 HydrophobicContact CD2-CG2 3.82Å; Y75-T93 PolarHBondContact N-O 2.81Å; Y75-T93 PolarHBondContact O-N 3.3Å; T93-L95 PolarHBondContact O-N 2.64Å
94	T	97.6	Very high	89.3	Confident	98 Å²	98	103.8 Å²	103.8	60%	0.601	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	124.9	173.7	-54.5	0	0	0	0	109.4
95	L	96.3	Very high	91.1	Very high	44 Å²	44	95.8 Å²	95.8	23%	0.23	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.8	167.6	178	65.1	0	0	0	107.7	L64 L67 S72 A73 Y75 T93 V97	L64-L95 HydrophobicContact CD1-CD2 3.92Å; L67-L95 HydrophobicContact CD1-CD2 3.99Å; L67-L95 HydrophobicContact CD2-CD2 4.31Å; S72-L95 CarbonylContact C-O 3.59Å; S72-L95 VanDerWaalsContact CA-O 3.25Å; S72-L95 WeakPolarHBondContact CA-O 3.26Å; A73-L95 PolarHBondContact N-O 2.72Å; A73-L95 PolarHBondContact O-N 3Å; Y75-L95 HydrophobicContact CD2-CB 3.8Å; Y75-L95 HydrophobicContact CD2-CD2 4.34Å; Y75-L95 HydrophobicContact CE2-CB 3.74Å; Y75-L95 HydrophobicContact CE2-CD2 3.75Å; Y75-L95 HydrophobicContact CE2-CG 4.32Å; T93-L95 PolarHBondContact O-N 2.64Å; L95-V97 HydrophobicContact CD2-CG2 4.5Å; L95-V97 HydrophobicContact CG-CG2 4.25Å
96	T	96.3	Very high	92.3	Very high	110 Å²	110	89 Å²	89	68%	0.675	51%	0.507	S	S	*	.			trans	-118.1	129.1	174.9	-56	0	0	0	0	108.5
97	V	94.9	Very high	93	Very high	28 Å²	28	90 Å²	90	17%	0.17	52%	0.52	C	S	.	.			trans	-118.9	112.8	178.5	-174.4	0	0	0	0	107.1	L67 T68 S69 S72 L95	L67-V97 HydrophobicContact CB-CG1 4.21Å; L67-V97 HydrophobicContact CB-CG2 4.05Å; L67-V97 HydrophobicContact CD1-CG2 4.2Å; T68-V97 WeakPolarHBondContact O-CB 3.27Å; S69-V97 WeakPolarHBondContact CA-O 3.4Å; S72-V97 PolarHBondContact OG-N 3.05Å; S72-V97 PolarHBondContact OG-O 2.9Å; L95-V97 HydrophobicContact CD2-CG2 4.5Å; L95-V97 HydrophobicContact CG-CG2 4.25Å
98	S	91	Very high	93.9	Very high	106 Å²	106	89.8 Å²	89.8	74%	0.741	52%	0.522	S	S	*	.			trans	-92.5	148.8	173.6	54.8	0	0	0	0	110.6
99	S	79.8	Confident	94.3	Very high	179 Å²	179	85.4 Å²	85.4	100%	1.252	52%	0.52	S	S	*	.			trans	-71.1	0	170.2	56.5	0	0	0	0	112.6

Retrieved 99 of 99 residues in 22 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).