X5J4Q0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Q0, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 100 aa.

						>X5J4Q0_MOUSE|X5J4Q0|Ighv4-2
LSCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCASYDGYYWYFDVWGAGTTVTVSS
					

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(Predicted Aligned Error values between residue pairs)

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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	94.3	Very high	90.5	Very high	63 Å²	63	53.2 Å²	53.2	33%	0.33	38%	0.375	S	S	.	.				0	149.1	0	-57	179.9	0	0	0	109.6	W17 Y61 L62 M64 Y75 T94 V96	L1-W17 HydrophobicContact CB-CH2 3.75Å; L1-W17 HydrophobicContact CB-CZ2 4.21Å; L1-W17 HydrophobicContact CB-CZ3 4.29Å; L1-W17 HydrophobicContact CD1-CH2 4.41Å; L1-W17 HydrophobicContact CD1-CZ3 4.11Å; L1-Y61 CarbonylContact O-C 3.59Å; L1-Y61 VanDerWaalsContact O-CA 3.29Å; L1-Y61 WeakPolarHBondContact O-CA 3.48Å; L1-L62 HydrophobicContact CB-CB 4.19Å; L1-L62 HydrophobicContact CD1-CD2 4.3Å; L1-L62 PolarHBondContact N-O 2.77Å; L1-L62 PolarHBondContact O-N 2.98Å; L1-M64 HydrophobicContact CD1-SD 4.17Å; L1-M64 HydrophobicContact CG-SD 4Å; L1-Y75 HydrophobicContact CD1-CD1 4.02Å; L1-Y75 HydrophobicContact CD1-CD2 4.32Å; L1-Y75 HydrophobicContact CD1-CG 3.7Å; L1-T94 HydrophobicContact CD1-CG2 3.79Å; L1-T94 HydrophobicContact CD2-CG2 3.86Å; L1-T94 HydrophobicContact CG-CG2 4.36Å; L1-V96 HydrophobicContact CD1-CG2 3.96Å; L1-V96 HydrophobicContact CD2-CG2 3.84Å; L1-V96 HydrophobicContact CG-CG2 4.38Å
2	S	94.8	Very high	90.6	Very high	84 Å²	84	64.4 Å²	64.4	59%	0.587	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.1	169.8	53.2	0	0	0	0	109.5	L60	S2-L60 CarbonylContact C-O 3.6Å; S2-L60 VanDerWaalsContact CA-O 3.3Å; S2-L60 WeakPolarHBondContact CA-O 3.35Å
3	C	93.2	Very high	90.5	Very high	17 Å²	17	64.3 Å²	64.3	12%	0.115	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	111.9	173.8	163.9	0	0	0	0	108.4	W17 T59 L60 C77	C3-W17 HydrophobicContact CB-CH2 3.87Å; C3-W17 HydrophobicContact CB-CZ2 4.04Å; C3-T59 CarbonylContact O-C 3.57Å; C3-T59 VanDerWaalsContact O-CA 3.32Å; C3-T59 WeakPolarHBondContact O-CA 3.02Å; C3-L60 HydrophobicContact CB-CB 4.47Å; C3-L60 PolarHBondContact N-O 3.32Å; C3-L60 PolarHBondContact O-N 2.83Å; C3-C77 HydrophobicContact CB-CB 3.46Å; C3-C77 VanDerWaalsContact CB-CB 3.46Å; C3-C77 WeakPolarHBondContact CB-SG 3.23Å; C3-C77 WeakPolarHBondContact SG-CB 3.41Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 2.98Å
4	A	92.9	Very high	90.7	Very high	78 Å²	78	65 Å²	65	65%	0.645	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	123.1	173.8	0	0	0	0	0	109.1
5	A	89.3	Confident	90.8	Very high	12 Å²	12	60.9 Å²	60.9	10%	0.099	36%	0.358	C	S	.	.			trans	-89.7	147.2	176.9	0	0	0	0	0	110.9	F8 F10 N58	A5-F8 HydrophobicContact CB-CE1 3.82Å; A5-F8 HydrophobicContact CB-CZ 3.67Å; A5-F10 HydrophobicContact CB-CB 4.37Å; A5-F10 HydrophobicContact CB-CD2 3.52Å; A5-F10 HydrophobicContact CB-CE2 4.2Å; A5-F10 HydrophobicContact CB-CG 4.31Å; A5-N58 PolarHBondContact N-O 3.25Å
6	S	87.9	Confident	91	Very high	94 Å²	94	57.1 Å²	57.1	66%	0.657	34%	0.336	S	S	*	.			trans	-147.3	157.4	173.8	65	0	0	0	0	109.6
7	G	85.6	Confident	91.3	Very high	77 Å²	77	53.9 Å²	53.9	79%	0.794	32%	0.317	S	S	*	.	S	Bend	trans	89.2	-2.9	178.1	0	0	0	0	0	115.8
8	F	85.1	Confident	91.4	Very high	40 Å²	40	51.7 Å²	51.7	18%	0.175	30%	0.304	C	S	.	.	S	Bend	trans	-152.2	166.2	174.9	66.3	-83.5	0	0	0	111.7	A5 F10 Y13 M15 W90	A5-F8 HydrophobicContact CB-CE1 3.82Å; A5-F8 HydrophobicContact CB-CZ 3.67Å; F8-F10 HydrophobicContact CE2-CB 4.33Å; F8-F10 HydrophobicContact CE2-CD2 4.46Å; F8-F10 HydrophobicContact CZ-CD2 4.47Å; F8-F10 PolarHBondContact O-N 3Å; F8-Y13 HydrophobicContact CB-CE2 4.5Å; F8-Y13 AromaticContact CD2-CD2 3.53Å; F8-Y13 HydrophobicContact CD2-CD2 3.53Å; F8-Y13 AromaticContact CD2-CE2 3.88Å; F8-Y13 HydrophobicContact CD2-CE2 3.88Å; F8-Y13 HydrophobicContact CD2-CG 4.31Å; F8-Y13 AromaticContact CE2-CD2 3.98Å; F8-Y13 HydrophobicContact CE2-CD2 3.98Å; F8-Y13 HydrophobicContact CE2-CG 4.41Å; F8-M15 HydrophobicContact CE2-SD 4.1Å; F8-M15 HydrophobicContact CZ-CE 4.09Å; F8-M15 HydrophobicContact CZ-SD 4.19Å; F8-W90 HydrophobicContact CD1-CD2 4.01Å; F8-W90 AromaticContact CD1-CE2 3.74Å; F8-W90 HydrophobicContact CD1-CE3 4.24Å; F8-W90 HydrophobicContact CD1-CH2 4.03Å; F8-W90 AromaticContact CD1-CZ2 3.78Å; F8-W90 HydrophobicContact CD1-CZ2 3.78Å; F8-W90 HydrophobicContact CD1-CZ3 4.25Å; F8-W90 AromaticContact CE1-CD1 3.85Å; F8-W90 AromaticContact CE1-CD2 3.69Å; F8-W90 HydrophobicContact CE1-CD2 3.69Å; F8-W90 AromaticContact CE1-CE2 3.63Å; F8-W90 HydrophobicContact CE1-CE3 4.23Å; F8-W90 AromaticContact CE1-CG 3.87Å; F8-W90 HydrophobicContact CE1-CG 3.87Å; F8-W90 HydrophobicContact CE1-CZ2 4.16Å; F8-W90 AromaticContact CE1-NE1 3.69Å
9	D	89.6	Confident	91.5	Very high	72 Å²	72	50.1 Å²	50.1	39%	0.385	29%	0.292	S	S	.	.			trans	-77.5	84	176.2	-177.2	-2.1	0	0	0	110.8	S11 R12 Y13	D9-S11 PolarHBondContact O-N 2.97Å; D9-S11 WeakPolarHBondContact OD1-CB 3.34Å; D9-S11 PolarHBondContact OD1-N 3.43Å; D9-S11 PolarHBondContact OD1-OG 3.3Å; D9-R12 HydrophobicContact CB-CG 4.46Å; D9-R12 PolarHBondContact O-N 3.45Å; D9-R12 WeakPolarHBondContact OD2-CD 3.45Å; D9-R12 WeakPolarHBondContact OD2-CG 3.36Å; D9-R12 IonicContact OD2-NE 3.37Å; D9-Y13 WeakPolarHBondContact O-CD2 3.48Å; D9-Y13 WeakPolarHBondContact O-CE2 3.08Å
10	F	91.1	Very high	91.7	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-45.4	-36.9	-179.6	177.5	-95.6	0	0	0	113.5	A5 F8 R12 Y13 M15 R53 N55 N58 L60	A5-F10 HydrophobicContact CB-CB 4.37Å; A5-F10 HydrophobicContact CB-CD2 3.52Å; A5-F10 HydrophobicContact CB-CE2 4.2Å; A5-F10 HydrophobicContact CB-CG 4.31Å; F8-F10 HydrophobicContact CE2-CB 4.33Å; F8-F10 HydrophobicContact CE2-CD2 4.46Å; F8-F10 HydrophobicContact CZ-CD2 4.47Å; F8-F10 PolarHBondContact O-N 3Å; F10-R12 PolarHBondContact O-N 2.76Å; F10-R12 VanDerWaalsContact O-N 3.16Å; F10-Y13 PolarHBondContact O-N 2.91Å; F10-M15 HydrophobicContact CD2-CE 4.05Å; F10-M15 HydrophobicContact CD2-CG 4.04Å; F10-M15 HydrophobicContact CD2-SD 3.85Å; F10-M15 HydrophobicContact CE2-CB 4.48Å; F10-M15 HydrophobicContact CE2-CE 3.82Å; F10-M15 HydrophobicContact CE2-CG 3.54Å; F10-M15 HydrophobicContact CE2-SD 3.86Å; F10-M15 HydrophobicContact CZ-CG 3.95Å; F10-R53 VanDerWaalsContact CD1-NH2 3.32Å; F10-R53 HydrophobicContact CE1-CB 4.19Å; F10-R53 VanDerWaalsContact CE1-NH2 3.28Å; F10-R53 HydrophobicContact CZ-CB 4.1Å; F10-R53 PolarHBondContact O-NH2 2.79Å; F10-N55 WeakPolarHBondContact CE1-OD1 3.28Å; F10-N58 HydrophobicContact CB-CB 3.92Å; F10-N58 HydrophobicContact CD1-CB 4.41Å; F10-N58 HydrophobicContact CG-CB 4.13Å; F10-L60 HydrophobicContact CE2-CB 4.23Å; F10-L60 HydrophobicContact CZ-CB 4.21Å
11	S	91.9	Very high	91.8	Very high	47 Å²	47	49 Å²	49	33%	0.329	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-65.4	-17.5	-176.3	77.8	0	0	0	0	114	D9 P34	D9-S11 PolarHBondContact O-N 2.97Å; D9-S11 WeakPolarHBondContact OD1-CB 3.34Å; D9-S11 PolarHBondContact OD1-N 3.43Å; D9-S11 PolarHBondContact OD1-OG 3.3Å; S11-P34 VanDerWaalsContact O-CB 3.29Å; S11-P34 WeakPolarHBondContact O-CB 3.46Å
12	R	91	Very high	91.7	Very high	188 Å²	188	51.2 Å²	51.2	71%	0.709	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-94.9	-14.7	-178.1	-73.6	-174.1	156.3	179.5	-7.4	114.9	D9 F10 P34	D9-R12 HydrophobicContact CB-CG 4.46Å; D9-R12 PolarHBondContact O-N 3.45Å; D9-R12 WeakPolarHBondContact OD2-CD 3.45Å; D9-R12 WeakPolarHBondContact OD2-CG 3.36Å; D9-R12 IonicContact OD2-NE 3.37Å; F10-R12 PolarHBondContact O-N 2.76Å; F10-R12 VanDerWaalsContact O-N 3.16Å; R12-P34 WeakPolarHBondContact O-CG 3.15Å
13	Y	89.6	Confident	91.7	Very high	63 Å²	63	51.8 Å²	51.8	25%	0.247	32%	0.32	C	S	.	.	S	Bend	trans	-107.5	152	-171.1	-62.8	-85.8	0	0	0	112.8	F8 D9 F10 R53 D81	F8-Y13 HydrophobicContact CB-CE2 4.5Å; F8-Y13 AromaticContact CD2-CD2 3.53Å; F8-Y13 HydrophobicContact CD2-CD2 3.53Å; F8-Y13 AromaticContact CD2-CE2 3.88Å; F8-Y13 HydrophobicContact CD2-CE2 3.88Å; F8-Y13 HydrophobicContact CD2-CG 4.31Å; F8-Y13 AromaticContact CE2-CD2 3.98Å; F8-Y13 HydrophobicContact CE2-CD2 3.98Å; F8-Y13 HydrophobicContact CE2-CG 4.41Å; D9-Y13 WeakPolarHBondContact O-CD2 3.48Å; D9-Y13 WeakPolarHBondContact O-CE2 3.08Å; F10-Y13 PolarHBondContact O-N 2.91Å; Y13-R53 PolarHBondContact O-NH1 3.08Å; Y13-D81 HydrophobicContact CD1-CB 3.85Å; Y13-D81 HydrophobicContact CE1-CB 3.63Å
14	W	93	Very high	91.6	Very high	74 Å²	74	56.8 Å²	56.8	28%	0.28	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.3	162.7	-74.7	68.2	0	0	0	108.8	E31 I32 N33 T38 S79 Y80	W14-E31 HydrophobicContact CE3-CB 4.3Å; W14-E31 HydrophobicContact CE3-CG 3.51Å; W14-E31 HydrophobicContact CZ3-CG 3.68Å; W14-I32 WeakPolarHBondContact CA-O 3.49Å; W14-N33 HydrophobicContact CD2-CB 3.69Å; W14-N33 VanDerWaalsContact CE2-CB 3.41Å; W14-N33 HydrophobicContact CE3-CB 3.89Å; W14-N33 HydrophobicContact CG-CB 4.45Å; W14-N33 HydrophobicContact CH2-CB 3.66Å; W14-N33 HydrophobicContact CZ2-CB 3.41Å; W14-N33 VanDerWaalsContact CZ2-CB 3.41Å; W14-N33 HydrophobicContact CZ3-CB 3.88Å; W14-T38 HydrophobicContact CH2-CG2 4Å; W14-T38 HydrophobicContact CZ3-CG2 4.47Å; W14-S79 WeakPolarHBondContact O-CA 3.34Å; W14-Y80 PolarHBondContact N-O 3.19Å; W14-Y80 PolarHBondContact O-N 3.14Å
15	M	93	Very high	91.6	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.015	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.2	-175.4	-61.5	-55.2	-53.2	0	0	109.6	F8 F10 E31 I32 L60 A78	F8-M15 HydrophobicContact CE2-SD 4.1Å; F8-M15 HydrophobicContact CZ-CE 4.09Å; F8-M15 HydrophobicContact CZ-SD 4.19Å; F10-M15 HydrophobicContact CD2-CE 4.05Å; F10-M15 HydrophobicContact CD2-CG 4.04Å; F10-M15 HydrophobicContact CD2-SD 3.85Å; F10-M15 HydrophobicContact CE2-CB 4.48Å; F10-M15 HydrophobicContact CE2-CE 3.82Å; F10-M15 HydrophobicContact CE2-CG 3.54Å; F10-M15 HydrophobicContact CE2-SD 3.86Å; F10-M15 HydrophobicContact CZ-CG 3.95Å; M15-E31 CarbonylContact O-C 3.37Å; M15-E31 WeakPolarHBondContact O-CA 3.36Å; M15-E31 WeakPolarHBondContact O-CB 3.4Å; M15-I32 HydrophobicContact CB-CG2 4.2Å; M15-I32 PolarHBondContact N-O 3.21Å; M15-I32 PolarHBondContact O-N 2.82Å; M15-L60 HydrophobicContact CB-CD1 3.69Å; M15-L60 HydrophobicContact CB-CD2 3.95Å; M15-L60 HydrophobicContact CB-CG 4.32Å; M15-A78 WeakPolarHBondContact CE-O 3.3Å
16	S	94.1	Very high	91.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.8	-173.7	-77.5	0	0	0	0	112.1	W28 G30 E31 C77 A78 F87	S16-W28 PolarHBondContact OG-NE1 2.85Å; S16-G30 WeakPolarHBondContact CA-O 3.38Å; S16-E31 VanDerWaalsContact OG-CB 3.28Å; S16-E31 WeakPolarHBondContact OG-CB 3.48Å; S16-C77 CarbonylContact O-C 3.46Å; S16-C77 WeakPolarHBondContact O-CA 3.34Å; S16-A78 PolarHBondContact N-O 3.5Å; S16-A78 PolarHBondContact O-N 2.73Å; S16-F87 WeakPolarHBondContact OG-CE1 3.34Å
17	W	95.1	Very high	91.9	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.015	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.9	160.9	-78	98.2	0	0	0	110.3	L1 C3 I29 G30 L60 Y61 L62 Y76 C77	L1-W17 HydrophobicContact CB-CH2 3.75Å; L1-W17 HydrophobicContact CB-CZ2 4.21Å; L1-W17 HydrophobicContact CB-CZ3 4.29Å; L1-W17 HydrophobicContact CD1-CH2 4.41Å; L1-W17 HydrophobicContact CD1-CZ3 4.11Å; C3-W17 HydrophobicContact CB-CH2 3.87Å; C3-W17 HydrophobicContact CB-CZ2 4.04Å; W17-I29 HydrophobicContact CB-CB 4.1Å; W17-I29 HydrophobicContact CB-CD1 4.18Å; W17-I29 WeakPolarHBondContact O-CB 3.42Å; W17-I29 PolarHBondContact O-N 2.77Å; W17-G30 PolarHBondContact N-O 3.16Å; W17-L60 HydrophobicContact CD2-CD2 4.3Å; W17-L60 HydrophobicContact CG-CD2 4.21Å; W17-L60 HydrophobicContact CZ2-CD2 4.32Å; W17-L60 HydrophobicContact CZ2-CG 4.4Å; W17-L60 VanDerWaalsContact NE1-CG 3.34Å; W17-Y61 PolarHBondContact NE1-O 2.84Å; W17-L62 HydrophobicContact CB-CD1 4.29Å; W17-L62 HydrophobicContact CB-CD2 4.49Å; W17-L62 HydrophobicContact CD2-CB 3.91Å; W17-L62 HydrophobicContact CD2-CD1 4.49Å; W17-L62 HydrophobicContact CD2-CD2 4.09Å; W17-L62 HydrophobicContact CD2-CG 4.41Å; W17-L62 HydrophobicContact CE3-CD2 4.27Å; W17-L62 HydrophobicContact CG-CB 4.19Å; W17-L62 HydrophobicContact CG-CD1 3.94Å; W17-L62 HydrophobicContact CG-CD2 4.18Å; W17-L62 HydrophobicContact CG-CG 4.35Å; W17-L62 HydrophobicContact CZ2-CB 3.95Å; W17-Y76 WeakPolarHBondContact CA-O 3.11Å; W17-C77 HydrophobicContact CE3-CB 4.46Å; W17-C77 HydrophobicContact CH2-CB 4.35Å; W17-C77 HydrophobicContact CZ3-CB 4.32Å
18	V	94	Very high	92.3	Very high	13 Å²	13	58.6 Å²	58.6	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.3	177.4	-177.4	0	0	0	0	107.6	L26 E27 Y75 Y76	V18-L26 HydrophobicContact CG1-CB 3.85Å; V18-L26 HydrophobicContact CG1-CD2 4Å; V18-L26 HydrophobicContact CG1-CG 4.39Å; V18-E27 CarbonylContact C-O 3.59Å; V18-E27 WeakPolarHBondContact CA-O 3.35Å; V18-E27 WeakPolarHBondContact CG1-O 3.45Å; V18-Y75 CarbonylContact O-C 3.44Å; V18-Y75 WeakPolarHBondContact O-CA 3.4Å; V18-Y76 PolarHBondContact N-O 3.09Å; V18-Y76 PolarHBondContact O-N 2.89Å
19	R	93.9	Very high	92.8	Very high	21 Å²	21	56.7 Å²	56.7	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	160.1	171.5	68.2	177.1	-168.5	179.5	3.2	112.6	E27 I29 D71 A73 L74 Y75	R19-E27 HydrophobicContact CG-CB 4.01Å; R19-E27 IonicContact CZ-OE2 2.77Å; R19-E27 PolarHBondContact N-O 2.89Å; R19-E27 IonicContact NE-OE2 2.93Å; R19-E27 PolarHBondContact NE-OE2 3.18Å; R19-E27 IonicContact NH2-OE2 2.82Å; R19-E27 PolarHBondContact NH2-OE2 2.86Å; R19-E27 PolarHBondContact O-N 2.77Å; R19-I29 HydrophobicContact CB-CD1 4.01Å; R19-I29 HydrophobicContact CB-CG1 4.43Å; R19-I29 HydrophobicContact CG-CD1 4.12Å; R19-I29 HydrophobicContact CG-CG1 4.1Å; R19-D71 IonicContact CZ-OD1 3.36Å; R19-D71 IonicContact NH1-OD1 2.89Å; R19-D71 PolarHBondContact NH1-OD1 2.94Å; R19-A73 HydrophobicContact CB-CB 3.96Å; R19-A73 HydrophobicContact CG-CB 4.42Å; R19-L74 CarbonylContact C-O 3.46Å; R19-L74 WeakPolarHBondContact CA-O 3.23Å; R19-L74 WeakPolarHBondContact CB-O 3.29Å; R19-Y75 HydrophobicContact CB-CD1 3.97Å; R19-Y75 HydrophobicContact CB-CE1 3.96Å; R19-Y75 HydrophobicContact CB-CG 4.3Å
20	Q	94.2	Very high	93.1	Very high	67 Å²	67	53.3 Å²	53.3	31%	0.313	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	106.6	174.3	-166.8	178.5	18.7	0	0	109.5	K24 L26 A73 L74 Y76	Q20-K24 WeakPolarHBondContact CG-O 3.48Å; Q20-K24 PolarHBondContact NE2-O 3.5Å; Q20-L26 HydrophobicContact CB-CD2 4.04Å; Q20-L26 HydrophobicContact CG-CD2 4.35Å; Q20-A73 WeakPolarHBondContact O-CA 3.08Å; Q20-A73 WeakPolarHBondContact O-CB 3.2Å; Q20-L74 HydrophobicContact CB-CB 4.36Å; Q20-L74 PolarHBondContact N-O 2.98Å; Q20-L74 PolarHBondContact O-N 2.82Å; Q20-Y76 HydrophobicContact CB-CE2 3.99Å; Q20-Y76 PolarHBondContact OE1-OH 2.95Å
21	A	94.1	Very high	93.3	Very high	12 Å²	12	54.8 Å²	54.8	10%	0.099	30%	0.297	C	S	.	.			trans	-73.3	153.7	172.5	0	0	0	0	0	110.4	G23 K24 A73	A21-G23 PolarHBondContact O-N 2.86Å; A21-K24 HydrophobicContact CB-CB 4.2Å; A21-K24 HydrophobicContact CB-CD 4.05Å; A21-K24 HydrophobicContact CB-CG 4.17Å; A21-K24 PolarHBondContact O-N 3.13Å; A21-A73 HydrophobicContact CB-CB 4.47Å
22	P	92.9	Very high	93.5	Very high	109 Å²	109	52.6 Å²	52.6	71%	0.708	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	127.1	177	-26.4	34.8	0	0	0	112.1	K24 T72	P22-K24 PolarHBondContact O-N 2.93Å; P22-T72 WeakPolarHBondContact CD-O 3.5Å
23	G	93.4	Very high	93.6	Very high	95 Å²	95	44.3 Å²	44.3	98%	0.979	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	7.7	-179.4	0	0	0	0	0	115.4	A21	A21-G23 PolarHBondContact O-N 2.86Å
24	K	92.7	Very high	93.9	Very high	123 Å²	123	43 Å²	43	54%	0.535	25%	0.25	S	S	.	.			trans	-113.4	162.8	176.8	-60.9	-162.2	-176.3	177.7	0	112.5	Q20 A21 P22	Q20-K24 WeakPolarHBondContact CG-O 3.48Å; Q20-K24 PolarHBondContact NE2-O 3.5Å; A21-K24 HydrophobicContact CB-CB 4.2Å; A21-K24 HydrophobicContact CB-CD 4.05Å; A21-K24 HydrophobicContact CB-CG 4.17Å; A21-K24 PolarHBondContact O-N 3.13Å; P22-K24 PolarHBondContact O-N 2.93Å
25	G	91.4	Very high	94	Very high	52 Å²	52	44.8 Å²	44.8	54%	0.536	27%	0.265	S	S	.	.			trans	-71.5	179.7	169.8	0	0	0	0	0	112.6
26	L	91.5	Very high	94.2	Very high	117 Å²	117	47.1 Å²	47.1	61%	0.613	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.9	172.9	-64.8	175.3	0	0	0	110.2	V18 Q20 Y76	V18-L26 HydrophobicContact CG1-CB 3.85Å; V18-L26 HydrophobicContact CG1-CD2 4Å; V18-L26 HydrophobicContact CG1-CG 4.39Å; Q20-L26 HydrophobicContact CB-CD2 4.04Å; Q20-L26 HydrophobicContact CG-CD2 4.35Å; L26-Y76 HydrophobicContact CD2-CD2 4.38Å; L26-Y76 HydrophobicContact CD2-CE2 4.18Å
27	E	92.9	Very high	94.3	Very high	56 Å²	56	51 Å²	51	26%	0.262	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.5	175.1	-65.8	-179.7	-177.6	0	0	108.9	V18 R19	V18-E27 CarbonylContact C-O 3.59Å; V18-E27 WeakPolarHBondContact CA-O 3.35Å; V18-E27 WeakPolarHBondContact CG1-O 3.45Å; R19-E27 HydrophobicContact CG-CB 4.01Å; R19-E27 IonicContact CZ-OE2 2.77Å; R19-E27 PolarHBondContact N-O 2.89Å; R19-E27 IonicContact NE-OE2 2.93Å; R19-E27 PolarHBondContact NE-OE2 3.18Å; R19-E27 IonicContact NH2-OE2 2.82Å; R19-E27 PolarHBondContact NH2-OE2 2.86Å; R19-E27 PolarHBondContact O-N 2.77Å
28	W	93.7	Very high	94.3	Very high	74 Å²	74	53.5 Å²	53.5	28%	0.28	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	134.2	173.9	-179.3	83.3	0	0	0	110.4	S16 E31 N40 T42	S16-W28 PolarHBondContact OG-NE1 2.85Å; W28-E31 HydrophobicContact CH2-CG 4.46Å; W28-E31 HydrophobicContact CZ2-CB 3.78Å; W28-E31 HydrophobicContact CZ2-CG 3.66Å; W28-N40 HydrophobicContact CH2-CB 3.74Å; W28-N40 HydrophobicContact CZ2-CB 4.35Å; W28-T42 VanDerWaalsContact CE3-OG1 3.29Å; W28-T42 WeakPolarHBondContact O-CB 3.44Å; W28-T42 PolarHBondContact O-OG1 3.27Å
29	I	95.4	Very high	94.5	Very high	0 Å²	0	56 Å²	56	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-47.6	179.6	-62.6	178.8	0	0	0	110.4	W17 R19 Y41 T42 L45 F49 L62 Y75	W17-I29 HydrophobicContact CB-CB 4.1Å; W17-I29 HydrophobicContact CB-CD1 4.18Å; W17-I29 WeakPolarHBondContact O-CB 3.42Å; W17-I29 PolarHBondContact O-N 2.77Å; R19-I29 HydrophobicContact CB-CD1 4.01Å; R19-I29 HydrophobicContact CB-CG1 4.43Å; R19-I29 HydrophobicContact CG-CD1 4.12Å; R19-I29 HydrophobicContact CG-CG1 4.1Å; I29-Y41 WeakPolarHBondContact O-CA 3.48Å; I29-T42 PolarHBondContact O-N 2.8Å; I29-L45 HydrophobicContact CB-CD1 4.47Å; I29-L45 HydrophobicContact CG1-CD1 4.11Å; I29-F49 HydrophobicContact CD1-CE2 4.46Å; I29-F49 HydrophobicContact CG2-CB 4.15Å; I29-F49 HydrophobicContact CG2-CD2 3.62Å; I29-F49 HydrophobicContact CG2-CE2 4.4Å; I29-F49 HydrophobicContact CG2-CG 4.12Å; I29-L62 HydrophobicContact CD1-CD2 4.07Å; I29-L62 HydrophobicContact CG2-CD1 4.38Å; I29-Y75 HydrophobicContact CD1-CD1 3.67Å; I29-Y75 HydrophobicContact CD1-CE1 3.48Å; I29-Y75 VanDerWaalsContact CD1-CE1 3.48Å
30	G	95.4	Very high	94.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	172.3	-171.7	0	0	0	0	0	111.8	S16 W17 N40 I51	S16-G30 WeakPolarHBondContact CA-O 3.38Å; W17-G30 PolarHBondContact N-O 3.16Å; G30-N40 CarbonylContact C-O 3.58Å; G30-N40 WeakPolarHBondContact CA-O 3.48Å; G30-I51 WeakPolarHBondContact O-CD1 3.32Å
31	E	95.3	Very high	94.7	Very high	32 Å²	32	57.2 Å²	57.2	15%	0.15	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.8	179.4	73	-171.4	161.5	0	0	111.9	W14 M15 S16 W28 I39 N40	W14-E31 HydrophobicContact CE3-CB 4.3Å; W14-E31 HydrophobicContact CE3-CG 3.51Å; W14-E31 HydrophobicContact CZ3-CG 3.68Å; M15-E31 CarbonylContact O-C 3.37Å; M15-E31 WeakPolarHBondContact O-CA 3.36Å; M15-E31 WeakPolarHBondContact O-CB 3.4Å; S16-E31 VanDerWaalsContact OG-CB 3.28Å; S16-E31 WeakPolarHBondContact OG-CB 3.48Å; W28-E31 HydrophobicContact CH2-CG 4.46Å; W28-E31 HydrophobicContact CZ2-CB 3.78Å; W28-E31 HydrophobicContact CZ2-CG 3.66Å; E31-I39 VanDerWaalsContact O-CA 3.29Å; E31-I39 WeakPolarHBondContact O-CA 3.42Å; E31-I39 VanDerWaalsContact O-CG2 3.23Å; E31-I39 WeakPolarHBondContact O-CG2 3.38Å; E31-N40 HydrophobicContact CG-CB 4.08Å; E31-N40 PolarHBondContact N-O 2.86Å; E31-N40 PolarHBondContact O-N 2.77Å; E31-N40 PolarHBondContact OE1-ND2 2.93Å
32	I	96.2	Very high	94.7	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.3	177	-175.2	161.4	0	0	0	110.2	W14 M15 I39 I51 R53 L60	W14-I32 WeakPolarHBondContact CA-O 3.49Å; M15-I32 HydrophobicContact CB-CG2 4.2Å; M15-I32 PolarHBondContact N-O 3.21Å; M15-I32 PolarHBondContact O-N 2.82Å; I32-I39 HydrophobicContact CB-CG1 4.39Å; I32-I39 HydrophobicContact CD1-CD1 3.9Å; I32-I39 HydrophobicContact CD1-CG1 3.96Å; I32-I39 HydrophobicContact CG1-CD1 4.48Å; I32-I39 HydrophobicContact CG1-CG1 3.98Å; I32-I51 HydrophobicContact CB-CG2 3.9Å; I32-I51 HydrophobicContact CG2-CG2 3.62Å; I32-R53 HydrophobicContact CD1-CG 3.95Å; I32-R53 HydrophobicContact CG1-CG 4.37Å; I32-R53 HydrophobicContact CG2-CB 4.41Å; I32-R53 HydrophobicContact CG2-CG 4.47Å; I32-L60 HydrophobicContact CG2-CD1 3.53Å
33	N	94.8	Very high	94.8	Very high	13 Å²	13	58.7 Å²	58.7	7%	0.07	35%	0.353	C	S	.	.			trans	-77.3	166.4	179.8	74.9	-24.7	0	0	0	112.4	W14 D35 S36 S37 T38 R53	W14-N33 HydrophobicContact CD2-CB 3.69Å; W14-N33 VanDerWaalsContact CE2-CB 3.41Å; W14-N33 HydrophobicContact CE3-CB 3.89Å; W14-N33 HydrophobicContact CG-CB 4.45Å; W14-N33 HydrophobicContact CH2-CB 3.66Å; W14-N33 HydrophobicContact CZ2-CB 3.41Å; W14-N33 VanDerWaalsContact CZ2-CB 3.41Å; W14-N33 HydrophobicContact CZ3-CB 3.88Å; N33-D35 VanDerWaalsContact C-N 3.34Å; N33-D35 PolarHBondContact ND2-OD1 2.63Å; N33-D35 PolarHBondContact O-N 2.73Å; N33-D35 PolarHBondContact OD1-OD1 3.11Å; N33-D35 VanDerWaalsContact OD1-OD1 3.13Å; N33-S36 PolarHBondContact O-N 2.93Å; N33-S36 VanDerWaalsContact O-N 3.14Å; N33-S36 VanDerWaalsContact OD1-C 3.3Å; N33-S36 VanDerWaalsContact OD1-CA 3.26Å; N33-S36 WeakPolarHBondContact OD1-CA 3.32Å; N33-S36 PolarHBondContact OD1-N 3.09Å; N33-S36 VanDerWaalsContact OD1-N 3.09Å; N33-S37 PolarHBondContact ND2-OG 3.29Å; N33-S37 PolarHBondContact OD1-N 2.82Å; N33-T38 PolarHBondContact N-O 2.93Å; N33-T38 VanDerWaalsContact N-O 3.14Å; N33-T38 PolarHBondContact ND2-N 2.9Å; N33-T38 PolarHBondContact OD1-N 3.46Å; N33-T38 PolarHBondContact OD1-O 3.4Å; N33-T38 VanDerWaalsContact OD1-O 3.09Å; N33-R53 WeakPolarHBondContact O-CD 3.45Å; N33-R53 PolarHBondContact O-NH1 2.7Å
34	P	95	Very high	94.7	Very high	36 Å²	36	58.6 Å²	58.6	23%	0.234	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-46.3	180	-40.6	43.8	0	0	0	116.9	S11 R12 R53 N55	S11-P34 VanDerWaalsContact O-CB 3.29Å; S11-P34 WeakPolarHBondContact O-CB 3.46Å; R12-P34 WeakPolarHBondContact O-CG 3.15Å; P34-R53 VanDerWaalsContact CA-NH1 3.28Å; P34-N55 PolarHBondContact O-ND2 2.93Å
35	D	94.9	Very high	94.6	Very high	111 Å²	111	53 Å²	53	59%	0.594	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	3.7	-175.1	69.3	0.6	0	0	0	113.4	N33 S37	N33-D35 VanDerWaalsContact C-N 3.34Å; N33-D35 PolarHBondContact ND2-OD1 2.63Å; N33-D35 PolarHBondContact O-N 2.73Å; N33-D35 PolarHBondContact OD1-OD1 3.11Å; N33-D35 VanDerWaalsContact OD1-OD1 3.13Å; D35-S37 VanDerWaalsContact CG-OG 3.27Å; D35-S37 PolarHBondContact O-N 3.36Å; D35-S37 VanDerWaalsContact OD1-CB 3.26Å; D35-S37 WeakPolarHBondContact OD1-CB 3.25Å; D35-S37 PolarHBondContact OD1-N 2.85Å; D35-S37 PolarHBondContact OD1-OG 3.28Å; D35-S37 PolarHBondContact OD2-OG 2.92Å
36	S	96.4	Very high	94.6	Very high	53 Å²	53	56.8 Å²	56.8	37%	0.371	31%	0.314	S	S	.	.	S	Bend	trans	61.7	12.3	-177.8	-47.6	0	0	0	0	115.5	N33 T38 R53	N33-S36 PolarHBondContact O-N 2.93Å; N33-S36 VanDerWaalsContact O-N 3.14Å; N33-S36 VanDerWaalsContact OD1-C 3.3Å; N33-S36 VanDerWaalsContact OD1-CA 3.26Å; N33-S36 WeakPolarHBondContact OD1-CA 3.32Å; N33-S36 PolarHBondContact OD1-N 3.09Å; N33-S36 VanDerWaalsContact OD1-N 3.09Å; S36-T38 VanDerWaalsContact C-N 3.31Å; S36-R53 WeakPolarHBondContact OG-CD 3.28Å; S36-R53 VanDerWaalsContact OG-CG 3.23Å; S36-R53 WeakPolarHBondContact OG-CG 3.43Å
37	S	96.6	Very high	94.6	Very high	82 Å²	82	57.2 Å²	57.2	57%	0.573	32%	0.317	S	S	*	.	S	Bend	trans	-73.9	-23.6	178.2	64.8	0	0	0	0	113.1	N33 D35	N33-S37 PolarHBondContact ND2-OG 3.29Å; N33-S37 PolarHBondContact OD1-N 2.82Å; D35-S37 VanDerWaalsContact CG-OG 3.27Å; D35-S37 PolarHBondContact O-N 3.36Å; D35-S37 VanDerWaalsContact OD1-CB 3.26Å; D35-S37 WeakPolarHBondContact OD1-CB 3.25Å; D35-S37 PolarHBondContact OD1-N 2.85Å; D35-S37 PolarHBondContact OD1-OG 3.28Å; D35-S37 PolarHBondContact OD2-OG 2.92Å
38	T	96.5	Very high	94.7	Very high	56 Å²	56	55.9 Å²	55.9	34%	0.344	31%	0.311	S	S	.	.			trans	-128.2	131.2	-178.2	-55.9	0	0	0	0	110.7	W14 N33 S36	W14-T38 HydrophobicContact CH2-CG2 4Å; W14-T38 HydrophobicContact CZ3-CG2 4.47Å; N33-T38 PolarHBondContact N-O 2.93Å; N33-T38 VanDerWaalsContact N-O 3.14Å; N33-T38 PolarHBondContact ND2-N 2.9Å; N33-T38 PolarHBondContact OD1-N 3.46Å; N33-T38 PolarHBondContact OD1-O 3.4Å; N33-T38 VanDerWaalsContact OD1-O 3.09Å; S36-T38 VanDerWaalsContact C-N 3.31Å
39	I	96.8	Very high	94.7	Very high	66 Å²	66	52.4 Å²	52.4	34%	0.338	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120.9	173.9	-46.2	178.4	0	0	0	108.7	E31 I32 Y41 I51	E31-I39 VanDerWaalsContact O-CA 3.29Å; E31-I39 WeakPolarHBondContact O-CA 3.42Å; E31-I39 VanDerWaalsContact O-CG2 3.23Å; E31-I39 WeakPolarHBondContact O-CG2 3.38Å; I32-I39 HydrophobicContact CB-CG1 4.39Å; I32-I39 HydrophobicContact CD1-CD1 3.9Å; I32-I39 HydrophobicContact CD1-CG1 3.96Å; I32-I39 HydrophobicContact CG1-CD1 4.48Å; I32-I39 HydrophobicContact CG1-CG1 3.98Å; I39-Y41 HydrophobicContact CB-CE2 3.98Å; I39-Y41 HydrophobicContact CG2-CD2 4.05Å; I39-Y41 HydrophobicContact CG2-CE1 4.43Å; I39-Y41 HydrophobicContact CG2-CE2 3.28Å; I39-I51 HydrophobicContact CG2-CB 4.25Å
40	N	95.9	Very high	94.8	Very high	68 Å²	68	56.4 Å²	56.4	36%	0.364	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	148.7	175.7	-58.6	-43.1	0	0	0	109.9	W28 G30 E31	W28-N40 HydrophobicContact CH2-CB 3.74Å; W28-N40 HydrophobicContact CZ2-CB 4.35Å; G30-N40 CarbonylContact C-O 3.58Å; G30-N40 WeakPolarHBondContact CA-O 3.48Å; E31-N40 HydrophobicContact CG-CB 4.08Å; E31-N40 PolarHBondContact N-O 2.86Å; E31-N40 PolarHBondContact O-N 2.77Å; E31-N40 PolarHBondContact OE1-ND2 2.93Å
41	Y	96.2	Very high	94.9	Very high	44 Å²	44	56.5 Å²	56.5	17%	0.173	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.6	-179.8	-69.7	-87.9	0	0	0	111	I29 I39 K46 F49 I51	I29-Y41 WeakPolarHBondContact O-CA 3.48Å; I39-Y41 HydrophobicContact CB-CE2 3.98Å; I39-Y41 HydrophobicContact CG2-CD2 4.05Å; I39-Y41 HydrophobicContact CG2-CE1 4.43Å; I39-Y41 HydrophobicContact CG2-CE2 3.28Å; Y41-K46 HydrophobicContact CD2-CD 4.4Å; Y41-K46 HydrophobicContact CD2-CG 3.94Å; Y41-K46 HydrophobicContact CG-CB 4.12Å; Y41-K46 HydrophobicContact CG-CG 4Å; Y41-F49 WeakPolarHBondContact CE1-O 2.88Å; Y41-I51 HydrophobicContact CD1-CD1 4.37Å; Y41-I51 HydrophobicContact CE1-CB 4.5Å; Y41-I51 HydrophobicContact CE1-CD1 3.87Å; Y41-I51 HydrophobicContact CE1-CG1 3.86Å; Y41-I51 PolarHBondContact OH-N 2.88Å
42	T	95.2	Very high	95	Very high	36 Å²	36	57.5 Å²	57.5	22%	0.221	33%	0.329	C	S	.	.			trans	-63.5	125.1	158	-69.6	0	0	0	0	108.7	W28 I29 S44 L45 K46	W28-T42 VanDerWaalsContact CE3-OG1 3.29Å; W28-T42 WeakPolarHBondContact O-CB 3.44Å; W28-T42 PolarHBondContact O-OG1 3.27Å; I29-T42 PolarHBondContact O-N 2.8Å; T42-S44 VanDerWaalsContact C-N 3.27Å; T42-S44 PolarHBondContact O-N 2.73Å; T42-S44 VanDerWaalsContact O-N 3.11Å; T42-L45 HydrophobicContact CG2-CD1 4.25Å; T42-L45 HydrophobicContact CG2-CG 4.15Å; T42-L45 PolarHBondContact O-N 3.01Å; T42-K46 PolarHBondContact O-N 2.89Å
43	P	93.8	Very high	95	Very high	117 Å²	117	58.6 Å²	58.6	76%	0.76	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-38.6	-171.6	-30.9	35.8	0	0	0	114.8	L45	P43-L45 PolarHBondContact O-N 3.2Å
44	S	91.3	Very high	95.1	Very high	93 Å²	93	60 Å²	60	65%	0.65	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-14	179.6	57.9	0	0	0	0	114.5	T42	T42-S44 VanDerWaalsContact C-N 3.27Å; T42-S44 PolarHBondContact O-N 2.73Å; T42-S44 VanDerWaalsContact O-N 3.11Å
45	L	91.5	Very high	95.2	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.026	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-13.3	-173	-58	-176.7	0	0	0	113.4	I29 T42 P43 D47 K48 F49	I29-L45 HydrophobicContact CB-CD1 4.47Å; I29-L45 HydrophobicContact CG1-CD1 4.11Å; T42-L45 HydrophobicContact CG2-CD1 4.25Å; T42-L45 HydrophobicContact CG2-CG 4.15Å; T42-L45 PolarHBondContact O-N 3.01Å; P43-L45 PolarHBondContact O-N 3.2Å; L45-D47 VanDerWaalsContact C-N 3.28Å; L45-D47 PolarHBondContact O-N 3.05Å; L45-K48 PolarHBondContact O-N 3.47Å; L45-F49 HydrophobicContact CB-CD2 3.94Å; L45-F49 HydrophobicContact CB-CE2 4.15Å; L45-F49 HydrophobicContact CD1-CE2 4.48Å; L45-F49 HydrophobicContact CD2-CE2 4.16Å; L45-F49 HydrophobicContact CG-CE2 4.49Å; L45-F49 PolarHBondContact O-N 2.02Å
46	K	90.5	Very high	95.2	Very high	131 Å²	131	60.6 Å²	60.6	57%	0.57	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.6	-176.5	-175.3	178.1	177.5	-179.1	0	114	Y41 T42 K48	Y41-K46 HydrophobicContact CD2-CD 4.4Å; Y41-K46 HydrophobicContact CD2-CG 3.94Å; Y41-K46 HydrophobicContact CG-CB 4.12Å; Y41-K46 HydrophobicContact CG-CG 4Å; T42-K46 PolarHBondContact O-N 2.89Å; K46-K48 VanDerWaalsContact C-N 3.3Å; K46-K48 PolarHBondContact O-N 3.22Å
47	D	92.2	Very high	95.2	Very high	127 Å²	127	64.4 Å²	64.4	68%	0.679	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.1	-177.9	-66.8	-27.6	0	0	0	113.7	L45	L45-D47 VanDerWaalsContact C-N 3.28Å; L45-D47 PolarHBondContact O-N 3.05Å
48	K	94.4	Very high	95.1	Very high	28 Å²	28	63.4 Å²	63.4	12%	0.122	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-32.9	-176.5	-61.1	-174	176.6	-169.3	0	112.6	L45 K46 S65 K66 E70 D71	L45-K48 PolarHBondContact O-N 3.47Å; K46-K48 VanDerWaalsContact C-N 3.3Å; K46-K48 PolarHBondContact O-N 3.22Å; K48-S65 PolarHBondContact O-N 2.98Å; K48-K66 HydrophobicContact CG-CB 4.47Å; K48-E70 IonicContact NZ-OE1 2.94Å; K48-E70 PolarHBondContact NZ-OE1 3.23Å; K48-D71 WeakPolarHBondContact CD-OD2 3.32Å; K48-D71 VanDerWaalsContact NZ-CG 3.26Å; K48-D71 IonicContact NZ-OD1 3.61Å; K48-D71 PolarHBondContact NZ-OD1 2.87Å; K48-D71 IonicContact NZ-OD2 2.73Å; K48-D71 PolarHBondContact NZ-OD2 3.07Å
49	F	95.4	Very high	95	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.5	-170.3	-56.1	-56.7	0	0	0	112.4	I29 Y41 L45 L62 Q63 M64 V67 D71 Y75	I29-F49 HydrophobicContact CD1-CE2 4.46Å; I29-F49 HydrophobicContact CG2-CB 4.15Å; I29-F49 HydrophobicContact CG2-CD2 3.62Å; I29-F49 HydrophobicContact CG2-CE2 4.4Å; I29-F49 HydrophobicContact CG2-CG 4.12Å; Y41-F49 WeakPolarHBondContact CE1-O 2.88Å; L45-F49 HydrophobicContact CB-CD2 3.94Å; L45-F49 HydrophobicContact CB-CE2 4.15Å; L45-F49 HydrophobicContact CD1-CE2 4.48Å; L45-F49 HydrophobicContact CD2-CE2 4.16Å; L45-F49 HydrophobicContact CG-CE2 4.49Å; L45-F49 PolarHBondContact O-N 2.02Å; F49-L62 HydrophobicContact CB-CD1 3.79Å; F49-L62 HydrophobicContact CB-CG 4.41Å; F49-L62 HydrophobicContact CD1-CD2 4.26Å; F49-L62 HydrophobicContact CD1-CG 4.3Å; F49-L62 HydrophobicContact CG-CD1 4.27Å; F49-Q63 CarbonylContact C-O 3.58Å; F49-Q63 VanDerWaalsContact CA-O 3.32Å; F49-Q63 WeakPolarHBondContact CA-O 3.48Å; F49-M64 HydrophobicContact CD1-CB 4.11Å; F49-M64 HydrophobicContact CD1-CE 4.31Å; F49-M64 HydrophobicContact CD1-CG 3.72Å; F49-M64 HydrophobicContact CE1-CB 4.11Å; F49-M64 HydrophobicContact CE1-CE 3.48Å; F49-M64 VanDerWaalsContact CE1-CE 3.48Å; F49-M64 HydrophobicContact CE1-CG 3.78Å; F49-M64 HydrophobicContact CE1-SD 4.47Å; F49-M64 HydrophobicContact CZ-CE 4.21Å; F49-V67 HydrophobicContact CE1-CG1 3.67Å; F49-V67 HydrophobicContact CZ-CG1 4.23Å; F49-D71 HydrophobicContact CZ-CB 4.47Å; F49-Y75 HydrophobicContact CE1-CE1 4.42Å; F49-Y75 HydrophobicContact CZ-CE1 4.27Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.32Å
50	I	96.2	Very high	95	Very high	83 Å²	83	58.3 Å²	58.3	43%	0.426	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.5	172.7	-56.8	170.8	0	0	0	107.6	L62 Q63	I50-L62 CarbonylContact O-C 3.5Å; I50-L62 WeakPolarHBondContact O-CA 3.49Å; I50-Q63 HydrophobicContact CB-CB 4.22Å; I50-Q63 PolarHBondContact N-O 2.79Å; I50-Q63 PolarHBondContact O-N 2.98Å
51	I	97.1	Very high	95.1	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135.8	175.8	-59.4	173	0	0	0	108.8	G30 I32 I39 Y41 L60 Y61 L62	G30-I51 WeakPolarHBondContact O-CD1 3.32Å; I32-I51 HydrophobicContact CB-CG2 3.9Å; I32-I51 HydrophobicContact CG2-CG2 3.62Å; I39-I51 HydrophobicContact CG2-CB 4.25Å; Y41-I51 HydrophobicContact CD1-CD1 4.37Å; Y41-I51 HydrophobicContact CE1-CB 4.5Å; Y41-I51 HydrophobicContact CE1-CD1 3.87Å; Y41-I51 HydrophobicContact CE1-CG1 3.86Å; Y41-I51 PolarHBondContact OH-N 2.88Å; I51-L60 HydrophobicContact CG2-CD1 3.93Å; I51-Y61 WeakPolarHBondContact CA-O 3.29Å; I51-L62 HydrophobicContact CG1-CD1 3.66Å
52	S	97.6	Very high	95.1	Very high	54 Å²	54	56.3 Å²	56.3	38%	0.378	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164.3	171	62.3	0	0	0	0	110.5	Y61	S52-Y61 PolarHBondContact N-O 2.97Å; S52-Y61 VanDerWaalsContact N-O 3.15Å; S52-Y61 PolarHBondContact O-N 2.85Å
53	R	97.2	Very high	95.2	Very high	25 Å²	25	60 Å²	60	9%	0.094	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.6	-177.7	64.7	-175.9	-67.7	159	3.1	111.8	F10 Y13 I32 N33 P34 S36 N55 T59 L60	F10-R53 VanDerWaalsContact CD1-NH2 3.32Å; F10-R53 HydrophobicContact CE1-CB 4.19Å; F10-R53 VanDerWaalsContact CE1-NH2 3.28Å; F10-R53 HydrophobicContact CZ-CB 4.1Å; F10-R53 PolarHBondContact O-NH2 2.79Å; Y13-R53 PolarHBondContact O-NH1 3.08Å; I32-R53 HydrophobicContact CD1-CG 3.95Å; I32-R53 HydrophobicContact CG1-CG 4.37Å; I32-R53 HydrophobicContact CG2-CB 4.41Å; I32-R53 HydrophobicContact CG2-CG 4.47Å; N33-R53 WeakPolarHBondContact O-CD 3.45Å; N33-R53 PolarHBondContact O-NH1 2.7Å; P34-R53 VanDerWaalsContact CA-NH1 3.28Å; S36-R53 WeakPolarHBondContact OG-CD 3.28Å; S36-R53 VanDerWaalsContact OG-CG 3.23Å; S36-R53 WeakPolarHBondContact OG-CG 3.43Å; R53-N55 PolarHBondContact NE-OD1 2.81Å; R53-N55 PolarHBondContact NH2-OD1 3.2Å; R53-T59 CarbonylContact C-O 3.56Å; R53-T59 WeakPolarHBondContact CA-O 3.02Å; R53-L60 HydrophobicContact CB-CD1 4.18Å
54	D	97.1	Very high	95.2	Very high	43 Å²	43	56.7 Å²	56.7	23%	0.23	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	106.6	171.3	-176.7	-22.9	0	0	0	108.5	A56 K57 N58 T59 Y61	D54-A56 VanDerWaalsContact C-N 3.34Å; D54-A56 WeakPolarHBondContact OD1-CB 3.49Å; D54-A56 PolarHBondContact OD1-N 2.9Å; D54-K57 HydrophobicContact CB-CB 4.23Å; D54-K57 PolarHBondContact O-N 3.03Å; D54-K57 PolarHBondContact OD1-N 3.43Å; D54-K57 VanDerWaalsContact OD1-N 3.12Å; D54-K57 WeakPolarHBondContact OD2-CD 3.41Å; D54-K57 WeakPolarHBondContact OD2-CE 3.3Å; D54-K57 WeakPolarHBondContact OD2-CG 2.96Å; D54-K57 IonicContact OD2-NZ 3.85Å; D54-K57 PolarHBondContact OD2-NZ 2.88Å; D54-N58 PolarHBondContact O-N 3.01Å; D54-T59 PolarHBondContact N-O 2.81Å; D54-T59 PolarHBondContact O-N 2.96Å; D54-Y61 HydrophobicContact CB-CE2 3.83Å
55	N	95.9	Very high	95.1	Very high	60 Å²	60	55.6 Å²	55.6	32%	0.321	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-28.7	-178.2	-70.8	-15.7	0	0	0	112.5	F10 P34 R53 K57 N58	F10-N55 WeakPolarHBondContact CE1-OD1 3.28Å; P34-N55 PolarHBondContact O-ND2 2.93Å; R53-N55 PolarHBondContact NE-OD1 2.81Å; R53-N55 PolarHBondContact NH2-OD1 3.2Å; N55-K57 PolarHBondContact O-N 3.15Å; N55-N58 PolarHBondContact O-N 2.92Å; N55-N58 PolarHBondContact O-OD1 2.99Å
56	A	95.3	Very high	95	Very high	99 Å²	99	62 Å²	62	82%	0.818	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.9	177.3	0	0	0	0	0	111.5	D54	D54-A56 VanDerWaalsContact C-N 3.34Å; D54-A56 WeakPolarHBondContact OD1-CB 3.49Å; D54-A56 PolarHBondContact OD1-N 2.9Å
57	K	95.9	Very high	95	Very high	132 Å²	132	58.1 Å²	58.1	57%	0.574	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	1.7	177.6	-60.8	-178	-166.2	158.6	0	113.9	D54 N55 T59	D54-K57 HydrophobicContact CB-CB 4.23Å; D54-K57 PolarHBondContact O-N 3.03Å; D54-K57 PolarHBondContact OD1-N 3.43Å; D54-K57 VanDerWaalsContact OD1-N 3.12Å; D54-K57 WeakPolarHBondContact OD2-CD 3.41Å; D54-K57 WeakPolarHBondContact OD2-CE 3.3Å; D54-K57 WeakPolarHBondContact OD2-CG 2.96Å; D54-K57 IonicContact OD2-NZ 3.85Å; D54-K57 PolarHBondContact OD2-NZ 2.88Å; N55-K57 PolarHBondContact O-N 3.15Å; K57-T59 PolarHBondContact O-N 2.95Å; K57-T59 VanDerWaalsContact O-N 3.14Å; K57-T59 PolarHBondContact O-OG1 3.02Å
58	N	94.4	Very high	95	Very high	62 Å²	62	59.8 Å²	59.8	33%	0.332	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	40.2	-171.3	-61.4	-34.7	0	0	0	112.9	A5 F10 D54 N55	A5-N58 PolarHBondContact N-O 3.25Å; F10-N58 HydrophobicContact CB-CB 3.92Å; F10-N58 HydrophobicContact CD1-CB 4.41Å; F10-N58 HydrophobicContact CG-CB 4.13Å; D54-N58 PolarHBondContact O-N 3.01Å; N55-N58 PolarHBondContact O-N 2.92Å; N55-N58 PolarHBondContact O-OD1 2.99Å
59	T	95.9	Very high	94.9	Very high	15 Å²	15	62 Å²	62	9%	0.092	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.3	-170	-57.7	0	0	0	0	111.8	C3 R53 D54 K57 Y61	C3-T59 CarbonylContact O-C 3.57Å; C3-T59 VanDerWaalsContact O-CA 3.32Å; C3-T59 WeakPolarHBondContact O-CA 3.02Å; R53-T59 CarbonylContact C-O 3.56Å; R53-T59 WeakPolarHBondContact CA-O 3.02Å; D54-T59 PolarHBondContact N-O 2.81Å; D54-T59 PolarHBondContact O-N 2.96Å; K57-T59 PolarHBondContact O-N 2.95Å; K57-T59 VanDerWaalsContact O-N 3.14Å; K57-T59 PolarHBondContact O-OG1 3.02Å; T59-Y61 HydrophobicContact CG2-CD1 4.21Å; T59-Y61 HydrophobicContact CG2-CD2 4.37Å; T59-Y61 HydrophobicContact CG2-CE1 3.6Å; T59-Y61 HydrophobicContact CG2-CE2 3.78Å
60	L	96.9	Very high	94.7	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.5	170.8	-172.5	70.5	0	0	0	110	S2 C3 F10 M15 W17 I32 I51 R53 C77	S2-L60 CarbonylContact C-O 3.6Å; S2-L60 VanDerWaalsContact CA-O 3.3Å; S2-L60 WeakPolarHBondContact CA-O 3.35Å; C3-L60 HydrophobicContact CB-CB 4.47Å; C3-L60 PolarHBondContact N-O 3.32Å; C3-L60 PolarHBondContact O-N 2.83Å; F10-L60 HydrophobicContact CE2-CB 4.23Å; F10-L60 HydrophobicContact CZ-CB 4.21Å; M15-L60 HydrophobicContact CB-CD1 3.69Å; M15-L60 HydrophobicContact CB-CD2 3.95Å; M15-L60 HydrophobicContact CB-CG 4.32Å; W17-L60 HydrophobicContact CD2-CD2 4.3Å; W17-L60 HydrophobicContact CG-CD2 4.21Å; W17-L60 HydrophobicContact CZ2-CD2 4.32Å; W17-L60 HydrophobicContact CZ2-CG 4.4Å; W17-L60 VanDerWaalsContact NE1-CG 3.34Å; I32-L60 HydrophobicContact CG2-CD1 3.53Å; I51-L60 HydrophobicContact CG2-CD1 3.93Å; R53-L60 HydrophobicContact CB-CD1 4.18Å; L60-C77 HydrophobicContact CD2-CB 4.09Å
61	Y	97.4	Very high	94.5	Very high	68 Å²	68	63.6 Å²	63.6	27%	0.267	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.6	179.6	-56.4	-85.2	0	0	0	111.5	L1 W17 I51 S52 D54 T59	L1-Y61 CarbonylContact O-C 3.59Å; L1-Y61 VanDerWaalsContact O-CA 3.29Å; L1-Y61 WeakPolarHBondContact O-CA 3.48Å; W17-Y61 PolarHBondContact NE1-O 2.84Å; I51-Y61 WeakPolarHBondContact CA-O 3.29Å; S52-Y61 PolarHBondContact N-O 2.97Å; S52-Y61 VanDerWaalsContact N-O 3.15Å; S52-Y61 PolarHBondContact O-N 2.85Å; D54-Y61 HydrophobicContact CB-CE2 3.83Å; T59-Y61 HydrophobicContact CG2-CD1 4.21Å; T59-Y61 HydrophobicContact CG2-CD2 4.37Å; T59-Y61 HydrophobicContact CG2-CE1 3.6Å; T59-Y61 HydrophobicContact CG2-CE2 3.78Å
62	L	97	Very high	94.4	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	104.3	169.4	-168.8	70.3	0	0	0	108.4	L1 W17 I29 F49 I50 I51 M64 Y75	L1-L62 HydrophobicContact CB-CB 4.19Å; L1-L62 HydrophobicContact CD1-CD2 4.3Å; L1-L62 PolarHBondContact N-O 2.77Å; L1-L62 PolarHBondContact O-N 2.98Å; W17-L62 HydrophobicContact CB-CD1 4.29Å; W17-L62 HydrophobicContact CB-CD2 4.49Å; W17-L62 HydrophobicContact CD2-CB 3.91Å; W17-L62 HydrophobicContact CD2-CD1 4.49Å; W17-L62 HydrophobicContact CD2-CD2 4.09Å; W17-L62 HydrophobicContact CD2-CG 4.41Å; W17-L62 HydrophobicContact CE3-CD2 4.27Å; W17-L62 HydrophobicContact CG-CB 4.19Å; W17-L62 HydrophobicContact CG-CD1 3.94Å; W17-L62 HydrophobicContact CG-CD2 4.18Å; W17-L62 HydrophobicContact CG-CG 4.35Å; W17-L62 HydrophobicContact CZ2-CB 3.95Å; I29-L62 HydrophobicContact CD1-CD2 4.07Å; I29-L62 HydrophobicContact CG2-CD1 4.38Å; F49-L62 HydrophobicContact CB-CD1 3.79Å; F49-L62 HydrophobicContact CB-CG 4.41Å; F49-L62 HydrophobicContact CD1-CD2 4.26Å; F49-L62 HydrophobicContact CD1-CG 4.3Å; F49-L62 HydrophobicContact CG-CD1 4.27Å; I50-L62 CarbonylContact O-C 3.5Å; I50-L62 WeakPolarHBondContact O-CA 3.49Å; I51-L62 HydrophobicContact CG1-CD1 3.66Å; L62-M64 HydrophobicContact CD2-CG 4.36Å; L62-M64 HydrophobicContact CG-CG 4.31Å; L62-Y75 HydrophobicContact CD2-CD1 3.74Å; L62-Y75 HydrophobicContact CD2-CE1 3.92Å
63	Q	96.6	Very high	94.3	Very high	115 Å²	115	62.7 Å²	62.7	54%	0.537	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134.2	169.6	178.2	178.5	-13.5	0	0	109.1	F49 I50	F49-Q63 CarbonylContact C-O 3.58Å; F49-Q63 VanDerWaalsContact CA-O 3.32Å; F49-Q63 WeakPolarHBondContact CA-O 3.48Å; I50-Q63 HydrophobicContact CB-CB 4.22Å; I50-Q63 PolarHBondContact N-O 2.79Å; I50-Q63 PolarHBondContact O-N 2.98Å
64	M	94.1	Very high	94.2	Very high	46 Å²	46	64.1 Å²	64.1	23%	0.227	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.4	-174.5	-55.2	173.5	90.9	0	0	107.7	L1 F49 L62 V67 Y75 V96	L1-M64 HydrophobicContact CD1-SD 4.17Å; L1-M64 HydrophobicContact CG-SD 4Å; F49-M64 HydrophobicContact CD1-CB 4.11Å; F49-M64 HydrophobicContact CD1-CE 4.31Å; F49-M64 HydrophobicContact CD1-CG 3.72Å; F49-M64 HydrophobicContact CE1-CB 4.11Å; F49-M64 HydrophobicContact CE1-CE 3.48Å; F49-M64 VanDerWaalsContact CE1-CE 3.48Å; F49-M64 HydrophobicContact CE1-CG 3.78Å; F49-M64 HydrophobicContact CE1-SD 4.47Å; F49-M64 HydrophobicContact CZ-CE 4.21Å; L62-M64 HydrophobicContact CD2-CG 4.36Å; L62-M64 HydrophobicContact CG-CG 4.31Å; M64-V67 HydrophobicContact CB-CG1 3.75Å; M64-V67 HydrophobicContact CE-CG1 4.09Å; M64-Y75 HydrophobicContact CE-CD1 4.33Å; M64-Y75 HydrophobicContact CE-CD2 4.49Å; M64-Y75 HydrophobicContact CE-CE1 3.56Å; M64-Y75 HydrophobicContact CE-CE2 3.78Å; M64-Y75 WeakPolarHBondContact CE-OH 3.44Å; M64-V96 HydrophobicContact CE-CG1 4.18Å; M64-V96 HydrophobicContact SD-CG1 4.45Å
65	S	89	Confident	94.1	Very high	70 Å²	70	62.1 Å²	62.1	49%	0.49	32%	0.323	S	S	.	.	S	Bend	trans	-115.6	-41.9	-169.6	-57.3	0	0	0	0	113.7	K48	K48-S65 PolarHBondContact O-N 2.98Å
66	K	88.2	Confident	94	Very high	141 Å²	141	61.1 Å²	61.1	61%	0.613	32%	0.315	S	S	*	.	S	Bend	trans	-115.6	41.3	-176	-60.8	-178.2	-173.9	168.7	0	111.8	K48	K48-K66 HydrophobicContact CG-CB 4.47Å
67	V	91.3	Very high	93.9	Very high	48 Å²	48	56.7 Å²	56.7	29%	0.291	28%	0.278	S	S	.	.			trans	-73.6	146.9	-178.3	-69.2	0	0	0	0	111.9	F49 M64 D71 V98	F49-V67 HydrophobicContact CE1-CG1 3.67Å; F49-V67 HydrophobicContact CZ-CG1 4.23Å; M64-V67 HydrophobicContact CB-CG1 3.75Å; M64-V67 HydrophobicContact CE-CG1 4.09Å; V67-D71 WeakPolarHBondContact CA-OD2 3.47Å; V67-D71 HydrophobicContact CB-CB 4.3Å; V67-D71 HydrophobicContact CG1-CB 4.33Å; V67-V98 HydrophobicContact CB-CG2 4.22Å; V67-V98 HydrophobicContact CG2-CG1 4.25Å; V67-V98 HydrophobicContact CG2-CG2 4.11Å
68	R	92.6	Very high	93.7	Very high	162 Å²	162	50.5 Å²	50.5	61%	0.611	25%	0.251	S	S	*	.			trans	-126.7	172.3	177.8	-66.8	177.7	-176.4	-175.9	-1.4	109.4	E70 D71	R68-E70 HydrophobicContact CB-CG 3.8Å; R68-E70 PolarHBondContact O-N 3.34Å; R68-E70 VanDerWaalsContact O-N 3.16Å; R68-D71 PolarHBondContact N-OD2 2.73Å; R68-D71 WeakPolarHBondContact O-CB 3.46Å; R68-D71 PolarHBondContact O-N 2.79Å
69	S	91.8	Very high	93.3	Very high	76 Å²	76	47.8 Å²	47.8	53%	0.531	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-55.3	-34.1	178.6	53.7	0	0	0	0	113.4	D71 T72 V98	S69-D71 PolarHBondContact O-N 2.8Å; S69-T72 VanDerWaalsContact O-CB 3.28Å; S69-T72 WeakPolarHBondContact O-CB 3.47Å; S69-T72 PolarHBondContact O-N 3.16Å; S69-T72 VanDerWaalsContact O-N 3.08Å; S69-T72 PolarHBondContact O-OG1 3.14Å; S69-V98 WeakPolarHBondContact CA-O 3.17Å
70	E	90.8	Very high	92.3	Very high	116 Å²	116	49.6 Å²	49.6	54%	0.542	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-61.6	-17.8	173.1	63.8	-172.8	-158.6	0	0	114.7	K48 R68 T72	K48-E70 IonicContact NZ-OE1 2.94Å; K48-E70 PolarHBondContact NZ-OE1 3.23Å; R68-E70 HydrophobicContact CB-CG 3.8Å; R68-E70 PolarHBondContact O-N 3.34Å; R68-E70 VanDerWaalsContact O-N 3.16Å; E70-T72 VanDerWaalsContact C-N 3.29Å
71	D	93	Very high	90.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-88.8	3.7	176.6	-58.3	-57.6	0	0	0	112.2	R19 K48 F49 V67 R68 S69 A73 Y75	R19-D71 IonicContact CZ-OD1 3.36Å; R19-D71 IonicContact NH1-OD1 2.89Å; R19-D71 PolarHBondContact NH1-OD1 2.94Å; K48-D71 WeakPolarHBondContact CD-OD2 3.32Å; K48-D71 VanDerWaalsContact NZ-CG 3.26Å; K48-D71 IonicContact NZ-OD1 3.61Å; K48-D71 PolarHBondContact NZ-OD1 2.87Å; K48-D71 IonicContact NZ-OD2 2.73Å; K48-D71 PolarHBondContact NZ-OD2 3.07Å; F49-D71 HydrophobicContact CZ-CB 4.47Å; V67-D71 WeakPolarHBondContact CA-OD2 3.47Å; V67-D71 HydrophobicContact CB-CB 4.3Å; V67-D71 HydrophobicContact CG1-CB 4.33Å; R68-D71 PolarHBondContact N-OD2 2.73Å; R68-D71 WeakPolarHBondContact O-CB 3.46Å; R68-D71 PolarHBondContact O-N 2.79Å; S69-D71 PolarHBondContact O-N 2.8Å; D71-A73 PolarHBondContact O-N 3.13Å; D71-Y75 PolarHBondContact O-OH 2.99Å
72	T	94.9	Very high	88.9	Confident	34 Å²	34	51.8 Å²	51.8	21%	0.209	27%	0.272	C	S	.	.			trans	-62.3	115.8	171.1	-65.6	0	0	0	0	110.4	P22 S69 E70 V96 T97 V98	P22-T72 WeakPolarHBondContact CD-O 3.5Å; S69-T72 VanDerWaalsContact O-CB 3.28Å; S69-T72 WeakPolarHBondContact O-CB 3.47Å; S69-T72 PolarHBondContact O-N 3.16Å; S69-T72 VanDerWaalsContact O-N 3.08Å; S69-T72 PolarHBondContact O-OG1 3.14Å; E70-T72 VanDerWaalsContact C-N 3.29Å; T72-V96 WeakPolarHBondContact CA-O 3.26Å; T72-T97 HydrophobicContact CG2-CG2 4.28Å; T72-V98 PolarHBondContact OG1-N 3.26Å; T72-V98 PolarHBondContact OG1-O 3.14Å
73	A	95.5	Very high	87	Confident	3 Å²	3	61 Å²	61	3%	0.025	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	166.2	-174.5	0	0	0	0	0	111.8	R19 Q20 A21 D71 Y75 V96	R19-A73 HydrophobicContact CB-CB 3.96Å; R19-A73 HydrophobicContact CG-CB 4.42Å; Q20-A73 WeakPolarHBondContact O-CA 3.08Å; Q20-A73 WeakPolarHBondContact O-CB 3.2Å; A21-A73 HydrophobicContact CB-CB 4.47Å; D71-A73 PolarHBondContact O-N 3.13Å; A73-Y75 HydrophobicContact CB-CD2 4.26Å; A73-Y75 HydrophobicContact CB-CE2 3.76Å; A73-Y75 VanDerWaalsContact O-CD2 3.3Å; A73-Y75 WeakPolarHBondContact O-CD2 3.17Å; A73-V96 PolarHBondContact N-O 3.37Å; A73-V96 VanDerWaalsContact N-O 3.13Å; A73-V96 PolarHBondContact O-N 2.97Å
74	L	95.4	Very high	84.9	Confident	56 Å²	56	63.4 Å²	63.4	29%	0.293	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.2	158.6	-81.7	159.1	0	0	0	109.2	R19 Q20 Y76 T94 T95	R19-L74 CarbonylContact C-O 3.46Å; R19-L74 WeakPolarHBondContact CA-O 3.23Å; R19-L74 WeakPolarHBondContact CB-O 3.29Å; Q20-L74 HydrophobicContact CB-CB 4.36Å; Q20-L74 PolarHBondContact N-O 2.98Å; Q20-L74 PolarHBondContact O-N 2.82Å; L74-Y76 HydrophobicContact CB-CE2 3.71Å; L74-Y76 WeakPolarHBondContact CD1-OH 3.38Å; L74-T94 CarbonylContact C-O 3.59Å; L74-T94 WeakPolarHBondContact CA-O 3.29Å; L74-T95 WeakPolarHBondContact CD2-OG1 3.26Å
75	Y	95.1	Very high	83	Confident	1 Å²	1	72.7 Å²	72.7	0%	0.004	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130	-179.6	-74.4	-100.8	0	0	0	110.6	L1 V18 R19 I29 F49 L62 M64 D71 A73 G93 T94 V96	L1-Y75 HydrophobicContact CD1-CD1 4.02Å; L1-Y75 HydrophobicContact CD1-CD2 4.32Å; L1-Y75 HydrophobicContact CD1-CG 3.7Å; V18-Y75 CarbonylContact O-C 3.44Å; V18-Y75 WeakPolarHBondContact O-CA 3.4Å; R19-Y75 HydrophobicContact CB-CD1 3.97Å; R19-Y75 HydrophobicContact CB-CE1 3.96Å; R19-Y75 HydrophobicContact CB-CG 4.3Å; I29-Y75 HydrophobicContact CD1-CD1 3.67Å; I29-Y75 HydrophobicContact CD1-CE1 3.48Å; I29-Y75 VanDerWaalsContact CD1-CE1 3.48Å; F49-Y75 HydrophobicContact CE1-CE1 4.42Å; F49-Y75 HydrophobicContact CZ-CE1 4.27Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.32Å; L62-Y75 HydrophobicContact CD2-CD1 3.74Å; L62-Y75 HydrophobicContact CD2-CE1 3.92Å; M64-Y75 HydrophobicContact CE-CD1 4.33Å; M64-Y75 HydrophobicContact CE-CD2 4.49Å; M64-Y75 HydrophobicContact CE-CE1 3.56Å; M64-Y75 HydrophobicContact CE-CE2 3.78Å; M64-Y75 WeakPolarHBondContact CE-OH 3.44Å; D71-Y75 PolarHBondContact O-OH 2.99Å; A73-Y75 HydrophobicContact CB-CD2 4.26Å; A73-Y75 HydrophobicContact CB-CE2 3.76Å; A73-Y75 VanDerWaalsContact O-CD2 3.3Å; A73-Y75 WeakPolarHBondContact O-CD2 3.17Å; Y75-G93 CarbonylContact O-C 3.59Å; Y75-G93 WeakPolarHBondContact O-CA 3.45Å; Y75-T94 PolarHBondContact N-O 3.24Å; Y75-T94 PolarHBondContact O-N 3.18Å; Y75-V96 HydrophobicContact CD2-CB 3.88Å; Y75-V96 HydrophobicContact CD2-CG2 3.73Å; Y75-V96 HydrophobicContact CE2-CB 3.79Å; Y75-V96 HydrophobicContact CE2-CG2 4.08Å; Y75-V96 HydrophobicContact CG-CG2 4.48Å
76	Y	93.6	Very high	81.3	Confident	38 Å²	38	78.6 Å²	78.6	15%	0.149	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.2	-177.2	-52.7	-88.9	0	0	0	109.9	W17 V18 Q20 L26 L74 V89	W17-Y76 WeakPolarHBondContact CA-O 3.11Å; V18-Y76 PolarHBondContact N-O 3.09Å; V18-Y76 PolarHBondContact O-N 2.89Å; Q20-Y76 HydrophobicContact CB-CE2 3.99Å; Q20-Y76 PolarHBondContact OE1-OH 2.95Å; L26-Y76 HydrophobicContact CD2-CD2 4.38Å; L26-Y76 HydrophobicContact CD2-CE2 4.18Å; L74-Y76 HydrophobicContact CB-CE2 3.71Å; L74-Y76 WeakPolarHBondContact CD1-OH 3.38Å; Y76-V89 HydrophobicContact CD1-CG1 4.03Å; Y76-V89 HydrophobicContact CG-CG1 4.41Å
77	C	92.6	Very high	80.1	Confident	7 Å²	7	75.9 Å²	75.9	5%	0.047	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	145.1	162.8	51.8	0	0	0	0	109.2	C3 S16 W17 L60	C3-C77 HydrophobicContact CB-CB 3.46Å; C3-C77 VanDerWaalsContact CB-CB 3.46Å; C3-C77 WeakPolarHBondContact CB-SG 3.23Å; C3-C77 WeakPolarHBondContact SG-CB 3.41Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 2.98Å; S16-C77 CarbonylContact O-C 3.46Å; S16-C77 WeakPolarHBondContact O-CA 3.34Å; W17-C77 HydrophobicContact CE3-CB 4.46Å; W17-C77 HydrophobicContact CH2-CB 4.35Å; W17-C77 HydrophobicContact CZ3-CB 4.32Å; L60-C77 HydrophobicContact CD2-CB 4.09Å
78	A	91	Very high	78.8	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.008	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.6	176.8	0	0	0	0	0	110.8	M15 S16 F87 D88 V89	M15-A78 WeakPolarHBondContact CE-O 3.3Å; S16-A78 PolarHBondContact N-O 3.5Å; S16-A78 PolarHBondContact O-N 2.73Å; A78-F87 HydrophobicContact CB-CB 3.93Å; A78-F87 HydrophobicContact CB-CD1 4.01Å; A78-F87 HydrophobicContact CB-CG 4.29Å; A78-D88 VanDerWaalsContact CA-O 3.25Å; A78-D88 WeakPolarHBondContact CA-O 3.45Å; A78-D88 WeakPolarHBondContact CB-O 3.18Å; A78-V89 HydrophobicContact CB-CG2 4.4Å
79	S	87.2	Confident	77.3	Confident	6 Å²	6	73.9 Å²	73.9	4%	0.042	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	150.7	168.5	63	0	0	0	0	110.3	W14 D88 W90	W14-S79 WeakPolarHBondContact O-CA 3.34Å; S79-D88 PolarHBondContact N-O 3.38Å; S79-D88 VanDerWaalsContact N-O 3.09Å; S79-D88 PolarHBondContact O-N 3.12Å; S79-W90 PolarHBondContact OG-NE1 3.24Å
80	Y	74.9	Confident	76	Confident	53 Å²	53	76 Å²	76	21%	0.208	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.2	168.5	179.8	-103.2	0	0	0	109.1	W14 Y84 F87	W14-Y80 PolarHBondContact N-O 3.19Å; W14-Y80 PolarHBondContact O-N 3.14Å; Y80-Y84 WeakPolarHBondContact CD2-O 3.44Å; Y80-Y84 WeakPolarHBondContact CE2-O 3.11Å; Y80-F87 HydrophobicContact CD2-CE1 4.36Å
81	D	65.5	Low	74.8	Confident	59 Å²	59	71.9 Å²	71.9	32%	0.316	34%	0.335	S	S	.	.			trans	-89.8	128.5	164.7	-169.1	-3.7	0	0	0	107.9	Y13 Y83 Y84	Y13-D81 HydrophobicContact CD1-CB 3.85Å; Y13-D81 HydrophobicContact CE1-CB 3.63Å; D81-Y83 PolarHBondContact O-N 3.42Å; D81-Y84 PolarHBondContact O-N 3.03Å
82	G	57.3	Low	74	Confident	54 Å²	54	76.9 Å²	76.9	56%	0.557	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-4.5	-173.6	0	0	0	0	0	116.2
83	Y	56	Low	73.2	Confident	195 Å²	195	76.6 Å²	76.6	77%	0.765	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-17.4	-179.6	-68.3	-80.8	0	0	0	115.1	D81	D81-Y83 PolarHBondContact O-N 3.42Å
84	Y	52.3	Low	72.9	Confident	166 Å²	166	79.4 Å²	79.4	65%	0.651	40%	0.397	S	S	*	.			trans	-127.4	127.4	-172.4	-69.8	-79.1	0	0	0	112.8	Y80 D81 Y86	Y80-Y84 WeakPolarHBondContact CD2-O 3.44Å; Y80-Y84 WeakPolarHBondContact CE2-O 3.11Å; D81-Y84 PolarHBondContact O-N 3.03Å; Y84-Y86 PolarHBondContact O-N 3.43Å
85	W	54	Low	72.7	Confident	240 Å²	240	81.1 Å²	81.1	91%	0.909	41%	0.409	S	S	*	.	S	Bend	trans	-69	12.5	178.1	-59.8	94.8	0	0	0	115.4
86	Y	54.3	Low	72.4	Confident	195 Å²	195	82.4 Å²	82.4	77%	0.765	42%	0.417	S	S	*	.			trans	-114.7	131.6	-178.5	-108.6	-95.8	0	0	0	110.4	Y84	Y84-Y86 PolarHBondContact O-N 3.43Å
87	F	62.9	Low	72.1	Confident	83 Å²	83	85.8 Å²	85.8	36%	0.364	44%	0.442	S	S	.	.			trans	-80.9	122.4	170.5	-73.5	-70.6	0	0	0	109.2	S16 A78 Y80 V89	S16-F87 WeakPolarHBondContact OG-CE1 3.34Å; A78-F87 HydrophobicContact CB-CB 3.93Å; A78-F87 HydrophobicContact CB-CD1 4.01Å; A78-F87 HydrophobicContact CB-CG 4.29Å; Y80-F87 HydrophobicContact CD2-CE1 4.36Å; F87-V89 PolarHBondContact O-N 2.97Å
88	D	63.1	Low	71.7	Confident	90 Å²	90	86.8 Å²	86.8	48%	0.481	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	110.9	167.2	-68.8	-35.3	0	0	0	107.9	A78 S79 W90	A78-D88 VanDerWaalsContact CA-O 3.25Å; A78-D88 WeakPolarHBondContact CA-O 3.45Å; A78-D88 WeakPolarHBondContact CB-O 3.18Å; S79-D88 PolarHBondContact N-O 3.38Å; S79-D88 VanDerWaalsContact N-O 3.09Å; S79-D88 PolarHBondContact O-N 3.12Å; D88-W90 HydrophobicContact CB-CZ2 4.15Å; D88-W90 PolarHBondContact O-N 2.62Å; D88-W90 PolarHBondContact O-NE1 3.06Å
89	V	63.2	Low	71.1	Confident	78 Å²	78	91.9 Å²	91.9	47%	0.473	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	104.9	176.8	-179.3	0	0	0	0	108.2	Y76 A78 F87 G91	Y76-V89 HydrophobicContact CD1-CG1 4.03Å; Y76-V89 HydrophobicContact CG-CG1 4.41Å; A78-V89 HydrophobicContact CB-CG2 4.4Å; F87-V89 PolarHBondContact O-N 2.97Å; V89-G91 WeakPolarHBondContact CG1-O 3.33Å
90	W	63.7	Low	70.1	Confident	121 Å²	121	100 Å²	100	46%	0.458	54%	0.54	S	S	.	.			trans	-91.1	1.5	-173.7	-66.6	91.3	0	0	0	114.2	F8 S79 D88	F8-W90 HydrophobicContact CD1-CD2 4.01Å; F8-W90 AromaticContact CD1-CE2 3.74Å; F8-W90 HydrophobicContact CD1-CE3 4.24Å; F8-W90 HydrophobicContact CD1-CH2 4.03Å; F8-W90 AromaticContact CD1-CZ2 3.78Å; F8-W90 HydrophobicContact CD1-CZ2 3.78Å; F8-W90 HydrophobicContact CD1-CZ3 4.25Å; F8-W90 AromaticContact CE1-CD1 3.85Å; F8-W90 AromaticContact CE1-CD2 3.69Å; F8-W90 HydrophobicContact CE1-CD2 3.69Å; F8-W90 AromaticContact CE1-CE2 3.63Å; F8-W90 HydrophobicContact CE1-CE3 4.23Å; F8-W90 AromaticContact CE1-CG 3.87Å; F8-W90 HydrophobicContact CE1-CG 3.87Å; F8-W90 HydrophobicContact CE1-CZ2 4.16Å; F8-W90 AromaticContact CE1-NE1 3.69Å; S79-W90 PolarHBondContact OG-NE1 3.24Å; D88-W90 HydrophobicContact CB-CZ2 4.15Å; D88-W90 PolarHBondContact O-N 2.62Å; D88-W90 PolarHBondContact O-NE1 3.06Å
91	G	65.8	Low	69.9	Low	30 Å²	30	102.3 Å²	102.3	31%	0.309	56%	0.557	S	S	.	*	S	Bend	trans	-131	149.9	-177.7	0	0	0	0	0	113.1	V89 G93	V89-G91 WeakPolarHBondContact CG1-O 3.33Å; G91-G93 PolarHBondContact O-N 3.09Å
92	A	74.9	Confident	70.1	Confident	104 Å²	104	104.6 Å²	104.6	86%	0.86	57%	0.569	S	S	*	*			trans	-64.2	-2.8	174	0	0	0	0	0	114
93	G	79.9	Confident	70.8	Confident	28 Å²	28	107.4 Å²	107.4	29%	0.289	57%	0.57	S	S	.	*			trans	75	163.7	-170.2	0	0	0	0	0	112.3	Y75 G91	Y75-G93 CarbonylContact O-C 3.59Å; Y75-G93 WeakPolarHBondContact O-CA 3.45Å; G91-G93 PolarHBondContact O-N 3.09Å
94	T	88.4	Confident	71.7	Confident	63 Å²	63	102.2 Å²	102.2	39%	0.387	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.8	132.1	171.8	-172.1	0	0	0	0	109.8	L1 L74 Y75 V96	L1-T94 HydrophobicContact CD1-CG2 3.79Å; L1-T94 HydrophobicContact CD2-CG2 3.86Å; L1-T94 HydrophobicContact CG-CG2 4.36Å; L74-T94 CarbonylContact C-O 3.59Å; L74-T94 WeakPolarHBondContact CA-O 3.29Å; Y75-T94 PolarHBondContact N-O 3.24Å; Y75-T94 PolarHBondContact O-N 3.18Å; T94-V96 HydrophobicContact CG2-CG2 4.49Å; T94-V96 PolarHBondContact O-N 2.62Å
95	T	90.4	Very high	72.9	Confident	91 Å²	91	98.3 Å²	98.3	56%	0.558	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81	121.5	177.8	-57.2	0	0	0	0	108.7	L74	L74-T95 WeakPolarHBondContact CD2-OG1 3.26Å
96	V	88.9	Confident	74.1	Confident	28 Å²	28	88.8 Å²	88.8	17%	0.17	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.8	169.9	-178.5	0	0	0	0	107.9	L1 M64 T72 A73 Y75 T94 V98	L1-V96 HydrophobicContact CD1-CG2 3.96Å; L1-V96 HydrophobicContact CD2-CG2 3.84Å; L1-V96 HydrophobicContact CG-CG2 4.38Å; M64-V96 HydrophobicContact CE-CG1 4.18Å; M64-V96 HydrophobicContact SD-CG1 4.45Å; T72-V96 WeakPolarHBondContact CA-O 3.26Å; A73-V96 PolarHBondContact N-O 3.37Å; A73-V96 VanDerWaalsContact N-O 3.13Å; A73-V96 PolarHBondContact O-N 2.97Å; Y75-V96 HydrophobicContact CD2-CB 3.88Å; Y75-V96 HydrophobicContact CD2-CG2 3.73Å; Y75-V96 HydrophobicContact CE2-CB 3.79Å; Y75-V96 HydrophobicContact CE2-CG2 4.08Å; Y75-V96 HydrophobicContact CG-CG2 4.48Å; T94-V96 HydrophobicContact CG2-CG2 4.49Å; T94-V96 PolarHBondContact O-N 2.62Å; V96-V98 HydrophobicContact CG1-CG2 4.23Å
97	T	88.4	Confident	75.6	Confident	109 Å²	109	81.2 Å²	81.2	67%	0.669	51%	0.512	S	S	*	.			trans	-106.5	126.1	174.2	-55.5	0	0	0	0	109.1	T72	T72-T97 HydrophobicContact CG2-CG2 4.28Å
98	V	84.3	Confident	76.5	Confident	29 Å²	29	81.1 Å²	81.1	18%	0.176	52%	0.524	C	S	.	.			trans	-113.3	111.7	177.1	-175.3	0	0	0	0	107.9	V67 S69 T72 V96	V67-V98 HydrophobicContact CB-CG2 4.22Å; V67-V98 HydrophobicContact CG2-CG1 4.25Å; V67-V98 HydrophobicContact CG2-CG2 4.11Å; S69-V98 WeakPolarHBondContact CA-O 3.17Å; T72-V98 PolarHBondContact OG1-N 3.26Å; T72-V98 PolarHBondContact OG1-O 3.14Å; V96-V98 HydrophobicContact CG1-CG2 4.23Å
99	S	77.8	Confident	77.7	Confident	107 Å²	107	80.3 Å²	80.3	75%	0.748	53%	0.527	S	S	*	.			trans	-90.7	148	173.1	55.2	0	0	0	0	110.8
100	S	66.3	Low	79	Confident	176 Å²	176	80.5 Å²	80.5	100%	1.231	53%	0.532	S	S	*	.			trans	-73.3	0	172.2	58	0	0	0	0	112.8

Retrieved 100 of 100 residues in 31.8 ms (Link to these results)

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