X5J4X0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4X0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 101 aa.

						>X5J4X0_MOUSE|X5J4X0
SCKASGYTFTSYWMHWVKQRPGQGLEWIGNINPSNGGTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCARIYYGSSYWYFDVWGTGTTVTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	97.1	Very high	94.8	Very high	106 Å²	106	65.8 Å²	65.8	74%	0.741	42%	0.421	S	S	*	.				0	160.6	0	51.8	0	0	0	0	109	A59 Y60	S1-A59 CarbonylContact C-O 3.45Å; S1-A59 WeakPolarHBondContact CA-O 3.25Å; S1-Y60 VanDerWaalsContact CB-CD1 3.47Å; S1-Y60 VanDerWaalsContact CB-CE1 3.47Å
2	C	97.5	Very high	94.7	Very high	16 Å²	16	63.8 Å²	63.8	11%	0.108	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	110.8	175.5	-179.6	0	0	0	0	108.6	W16 T58 A59 C76	C2-W16 HydrophobicContact CB-CH2 3.76Å; C2-W16 HydrophobicContact CB-CZ2 4.07Å; C2-T58 WeakPolarHBondContact O-CA 3.44Å; C2-A59 PolarHBondContact N-O 3.24Å; C2-A59 PolarHBondContact O-N 3.01Å; C2-C76 HydrophobicContact CB-CB 3.41Å; C2-C76 VanDerWaalsContact CB-CB 3.41Å; C2-C76 WeakPolarHBondContact CB-SG 3.41Å; C2-C76 WeakPolarHBondContact SG-CB 3.45Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 3.25Å
3	K	97.1	Very high	94.7	Very high	157 Å²	157	63.8 Å²	63.8	68%	0.683	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.4	-177.8	-175.2	175	-177.9	179.7	0	110	T58	K3-T58 HydrophobicContact CB-CG2 4.39Å
4	A	94.9	Very high	94.8	Very high	10 Å²	10	59.4 Å²	59.4	8%	0.083	36%	0.361	C	S	.	.			trans	-76.6	145.6	174	0	0	0	0	0	111.3	Y7 F9 S57	A4-Y7 HydrophobicContact CB-CE1 3.66Å; A4-Y7 HydrophobicContact CB-CE2 3.95Å; A4-Y7 VanDerWaalsContact CB-OH 3.26Å; A4-Y7 WeakPolarHBondContact CB-OH 3.46Å; A4-F9 HydrophobicContact CB-CB 3.9Å; A4-F9 HydrophobicContact CB-CD2 3.43Å; A4-F9 VanDerWaalsContact CB-CD2 3.43Å; A4-F9 HydrophobicContact CB-CE2 4.17Å; A4-F9 HydrophobicContact CB-CG 3.88Å; A4-S57 WeakPolarHBondContact CB-O 3.18Å; A4-S57 PolarHBondContact N-O 2.86Å
5	S	93.7	Very high	95	Very high	108 Å²	108	56.5 Å²	56.5	76%	0.755	34%	0.342	S	S	*	.			trans	-147.9	136.7	175.6	-176.3	0	0	0	0	110.4	Y7	S5-Y7 WeakPolarHBondContact O-CD1 3.44Å
6	G	92.4	Very high	95.2	Very high	85 Å²	85	53.8 Å²	53.8	88%	0.876	32%	0.323	S	S	*	.	S	Bend	trans	79.8	17.3	175.6	0	0	0	0	0	116
7	Y	90.6	Very high	95.3	Very high	54 Å²	54	50.7 Å²	50.7	21%	0.212	31%	0.305	C	S	.	.	S	Bend	trans	-158.9	164	176.2	63.4	-79.8	0	0	0	112.3	A4 S5 F9 Y12 R78	A4-Y7 HydrophobicContact CB-CE1 3.66Å; A4-Y7 HydrophobicContact CB-CE2 3.95Å; A4-Y7 VanDerWaalsContact CB-OH 3.26Å; A4-Y7 WeakPolarHBondContact CB-OH 3.46Å; S5-Y7 WeakPolarHBondContact O-CD1 3.44Å; Y7-F9 HydrophobicContact CE2-CD2 4.41Å; Y7-F9 PolarHBondContact O-N 2.98Å; Y7-Y12 AromaticContact CD2-CD2 3.37Å; Y7-Y12 HydrophobicContact CD2-CD2 3.37Å; Y7-Y12 AromaticContact CD2-CE2 3.41Å; Y7-Y12 HydrophobicContact CD2-CE2 3.41Å; Y7-Y12 VanDerWaalsContact CD2-CE2 3.41Å; Y7-Y12 HydrophobicContact CD2-CG 4.17Å; Y7-Y12 AromaticContact CE2-CD2 3.65Å; Y7-Y12 HydrophobicContact CE2-CD2 3.65Å; Y7-Y12 HydrophobicContact CE2-CE2 4.12Å; Y7-Y12 HydrophobicContact CE2-CG 4.04Å; Y7-Y12 HydrophobicContact CG-CE2 4.17Å; Y7-R78 VanDerWaalsContact CG-NH1 3.35Å
8	T	94.7	Very high	95.4	Very high	88 Å²	88	47.9 Å²	47.9	54%	0.54	29%	0.288	S	S	.	.			trans	-69.9	97.7	172.2	-52.1	0	0	0	0	110.2	T10 S11 Y12	T8-T10 PolarHBondContact O-N 2.93Å; T8-T10 VanDerWaalsContact O-N 3.17Å; T8-S11 WeakPolarHBondContact CG2-OG 3.41Å; T8-S11 WeakPolarHBondContact O-CB 3.41Å; T8-S11 PolarHBondContact O-N 2.79Å; T8-Y12 VanDerWaalsContact O-CD2 3.32Å; T8-Y12 WeakPolarHBondContact O-CD2 3.31Å
9	F	95.3	Very high	95.5	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.026	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-53.5	-37.8	-175.5	176.1	-127.9	0	0	0	113.8	A4 Y7 S11 Y12 M14 P33 V52 S57 A59	A4-F9 HydrophobicContact CB-CB 3.9Å; A4-F9 HydrophobicContact CB-CD2 3.43Å; A4-F9 VanDerWaalsContact CB-CD2 3.43Å; A4-F9 HydrophobicContact CB-CE2 4.17Å; A4-F9 HydrophobicContact CB-CG 3.88Å; Y7-F9 HydrophobicContact CE2-CD2 4.41Å; Y7-F9 PolarHBondContact O-N 2.98Å; F9-S11 PolarHBondContact O-N 2.79Å; F9-Y12 PolarHBondContact O-N 3.05Å; F9-M14 HydrophobicContact CD2-CE 4.41Å; F9-M14 HydrophobicContact CE2-CE 3.86Å; F9-P33 HydrophobicContact CD1-CB 3.87Å; F9-P33 HydrophobicContact CD1-CG 4.48Å; F9-P33 HydrophobicContact CD2-CB 4.43Å; F9-P33 HydrophobicContact CD2-CG 4.2Å; F9-P33 HydrophobicContact CE1-CB 3.61Å; F9-P33 HydrophobicContact CE1-CG 4.1Å; F9-P33 HydrophobicContact CE2-CB 4.16Å; F9-P33 HydrophobicContact CE2-CG 3.75Å; F9-P33 HydrophobicContact CG-CB 4.31Å; F9-P33 HydrophobicContact CZ-CB 3.76Å; F9-P33 HydrophobicContact CZ-CG 3.7Å; F9-V52 HydrophobicContact CE1-CG2 3.34Å; F9-V52 HydrophobicContact CZ-CG2 3.57Å; F9-S57 VanDerWaalsContact CD1-CA 3.42Å; F9-A59 HydrophobicContact CE2-CB 4.47Å; F9-A59 HydrophobicContact CZ-CB 4.07Å
10	T	95.7	Very high	95.6	Very high	57 Å²	57	49.3 Å²	49.3	35%	0.35	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-74.2	1.1	179.3	53.9	0	0	0	0	114.7	T8 Y81	T8-T10 PolarHBondContact O-N 2.93Å; T8-T10 VanDerWaalsContact O-N 3.17Å; T10-Y81 VanDerWaalsContact O-CE2 3.23Å; T10-Y81 WeakPolarHBondContact O-CE2 3.03Å
11	S	93.8	Very high	95.5	Very high	37 Å²	37	52.6 Å²	52.6	26%	0.259	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-99.4	6.6	175.4	-55	0	0	0	0	113.8	T8 F9 Y80 Y81	T8-S11 WeakPolarHBondContact CG2-OG 3.41Å; T8-S11 WeakPolarHBondContact O-CB 3.41Å; T8-S11 PolarHBondContact O-N 2.79Å; F9-S11 PolarHBondContact O-N 2.79Å; S11-Y80 VanDerWaalsContact O-CD2 3.26Å; S11-Y80 WeakPolarHBondContact O-CD2 3.5Å; S11-Y81 WeakPolarHBondContact O-CD2 3.43Å; S11-Y81 PolarHBondContact O-N 2.81Å
12	Y	93.4	Very high	95.4	Very high	41 Å²	41	51.9 Å²	51.9	16%	0.161	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.9	-177	-63.8	-101.5	0	0	0	111.4	Y7 T8 F9 P33 R78 I79 Y80 Y81	Y7-Y12 AromaticContact CD2-CD2 3.37Å; Y7-Y12 HydrophobicContact CD2-CD2 3.37Å; Y7-Y12 AromaticContact CD2-CE2 3.41Å; Y7-Y12 HydrophobicContact CD2-CE2 3.41Å; Y7-Y12 VanDerWaalsContact CD2-CE2 3.41Å; Y7-Y12 HydrophobicContact CD2-CG 4.17Å; Y7-Y12 AromaticContact CE2-CD2 3.65Å; Y7-Y12 HydrophobicContact CE2-CD2 3.65Å; Y7-Y12 HydrophobicContact CE2-CE2 4.12Å; Y7-Y12 HydrophobicContact CE2-CG 4.04Å; Y7-Y12 HydrophobicContact CG-CE2 4.17Å; T8-Y12 VanDerWaalsContact O-CD2 3.32Å; T8-Y12 WeakPolarHBondContact O-CD2 3.31Å; F9-Y12 PolarHBondContact O-N 3.05Å; Y12-P33 WeakPolarHBondContact O-CD 3.39Å; Y12-P33 WeakPolarHBondContact O-CG 3.31Å; Y12-R78 HydrophobicContact CD1-CB 4.14Å; Y12-R78 HydrophobicContact CD1-CG 3.88Å; Y12-R78 HydrophobicContact CE1-CG 4.38Å; Y12-R78 HydrophobicContact CG-CB 4.47Å; Y12-I79 CarbonylContact C-O 3.59Å; Y12-I79 WeakPolarHBondContact CA-O 3.27Å; Y12-I79 WeakPolarHBondContact CB-O 3.4Å; Y12-Y80 HydrophobicContact CD1-CD2 4.4Å; Y12-Y80 AromaticContact CE1-CD2 3.96Å; Y12-Y80 HydrophobicContact CE1-CD2 3.96Å; Y12-Y80 HydrophobicContact CE1-CG 4.25Å; Y12-Y80 HydrophobicContact CE2-CD2 4.13Å; Y12-Y80 AromaticContact CZ-CD2 3.8Å; Y12-Y81 VanDerWaalsContact N-CE2 3.27Å; Y12-Y81 PolarHBondContact O-OH 3.38Å
13	W	94.4	Very high	95.2	Very high	65 Å²	65	55.8 Å²	55.8	25%	0.246	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.7	158.3	-70.2	96.3	0	0	0	109.7	H15 N30 N32 R78 I79 Y81	W13-H15 WeakPolarHBondContact CB-NE2 3.48Å; W13-N30 HydrophobicContact CE3-CB 4.27Å; W13-N30 VanDerWaalsContact CE3-OD1 3.23Å; W13-N30 WeakPolarHBondContact CZ3-OD1 3.24Å; W13-N32 HydrophobicContact CD2-CB 4.3Å; W13-N32 HydrophobicContact CE3-CB 3.73Å; W13-N32 HydrophobicContact CH2-CB 3.64Å; W13-N32 HydrophobicContact CZ2-CB 4.21Å; W13-N32 HydrophobicContact CZ3-CB 3.41Å; W13-N32 VanDerWaalsContact CZ3-CB 3.41Å; W13-R78 VanDerWaalsContact O-CA 3.32Å; W13-R78 WeakPolarHBondContact O-CA 3.33Å; W13-I79 PolarHBondContact N-O 3.27Å; W13-I79 PolarHBondContact O-N 2.77Å; W13-I79 VanDerWaalsContact O-N 3.13Å; W13-Y81 AromaticContact CD1-CD1 3.53Å; W13-Y81 AromaticContact CD1-CE1 3.37Å; W13-Y81 AromaticContact CD2-CE1 3.89Å; W13-Y81 HydrophobicContact CD2-CE1 3.89Å; W13-Y81 AromaticContact CE2-CD1 4Å; W13-Y81 AromaticContact CE2-CE1 3.42Å; W13-Y81 VanDerWaalsContact CE2-CE1 3.42Å; W13-Y81 HydrophobicContact CG-CD1 4.42Å; W13-Y81 AromaticContact CG-CE1 3.86Å; W13-Y81 HydrophobicContact CG-CE1 3.86Å; W13-Y81 HydrophobicContact CZ2-CE1 4.03Å; W13-Y81 AromaticContact NE1-CD1 3.23Å; W13-Y81 AromaticContact NE1-CE1 3.11Å
14	M	96.7	Very high	95.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.1	170.3	-170.6	59.5	64	0	0	109.6	F9 N30 I31 A59 C76 R78	F9-M14 HydrophobicContact CD2-CE 4.41Å; F9-M14 HydrophobicContact CE2-CE 3.86Å; M14-N30 CarbonylContact O-C 3.57Å; M14-N30 WeakPolarHBondContact O-CA 3.21Å; M14-N30 WeakPolarHBondContact O-CB 3.25Å; M14-I31 HydrophobicContact CB-CG2 4.05Å; M14-I31 PolarHBondContact N-O 3.03Å; M14-I31 PolarHBondContact O-N 3.32Å; M14-A59 HydrophobicContact CB-CB 4.04Å; M14-A59 HydrophobicContact CG-CB 3.57Å; M14-C76 HydrophobicContact SD-CB 3.9Å; M14-R78 HydrophobicContact CE-CB 4.42Å
15	H	97.1	Very high	95.2	Very high	16 Å²	16	55 Å²	55	7%	0.074	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.5	-177.7	-65.7	-115.9	0	0	0	110.7	W13 W27 G29 N30 C76 A77 F88	W13-H15 WeakPolarHBondContact CB-NE2 3.48Å; H15-W27 AromaticContact CG-NE1 3.92Å; H15-W27 AromaticContact ND1-CD1 3.99Å; H15-W27 AromaticContact ND1-CE2 4Å; H15-W27 AromaticContact ND1-NE1 3.18Å; H15-W27 PolarHBondContact ND1-NE1 3.03Å; H15-W27 VanDerWaalsContact ND1-NE1 3.18Å; H15-G29 WeakPolarHBondContact CA-O 3.12Å; H15-N30 HydrophobicContact CB-CB 4.39Å; H15-N30 PolarHBondContact CE1-ND2 2.87Å; H15-C76 CarbonylContact O-C 3.43Å; H15-C76 WeakPolarHBondContact O-CA 3.32Å; H15-A77 PolarHBondContact N-O 3.45Å; H15-A77 PolarHBondContact O-N 3.12Å; H15-F88 HydrophobicContact CB-CD1 4.34Å; H15-F88 HydrophobicContact CB-CE1 3.54Å; H15-F88 HydrophobicContact CB-CZ 3.94Å; H15-F88 AromaticContact CD2-CE1 3.66Å; H15-F88 AromaticContact CE1-CE1 3.77Å; H15-F88 AromaticContact CG-CE1 3.27Å; H15-F88 AromaticContact CG-CZ 3.88Å; H15-F88 AromaticContact ND1-CE1 3.35Å; H15-F88 WeakPolarHBondContact ND1-CE1 3.3Å; H15-F88 AromaticContact ND1-CZ 3.66Å; H15-F88 AromaticContact NE2-CE1 3.98Å
16	W	98.1	Very high	95.3	Very high	12 Å²	12	51.6 Å²	51.6	5%	0.045	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.3	174	-65.9	93	0	0	0	110	C2 I28 G29 L50 A59 M61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.76Å; C2-W16 HydrophobicContact CB-CZ2 4.07Å; W16-I28 HydrophobicContact CB-CB 4.1Å; W16-I28 HydrophobicContact CB-CD1 4.29Å; W16-I28 HydrophobicContact CB-CG2 4.43Å; W16-I28 WeakPolarHBondContact O-CB 3.37Å; W16-I28 PolarHBondContact O-N 2.64Å; W16-G29 PolarHBondContact N-O 3.17Å; W16-L50 VanDerWaalsContact CD1-CD2 3.46Å; W16-L50 HydrophobicContact CG-CD2 4.15Å; W16-A59 HydrophobicContact CZ2-CB 4.37Å; W16-M61 HydrophobicContact CB-CE 4.36Å; W16-M61 HydrophobicContact CB-SD 3.69Å; W16-M61 HydrophobicContact CD2-CB 3.64Å; W16-M61 HydrophobicContact CD2-CE 4.04Å; W16-M61 HydrophobicContact CD2-CG 4.41Å; W16-M61 HydrophobicContact CD2-SD 3.93Å; W16-M61 HydrophobicContact CE3-CB 4Å; W16-M61 HydrophobicContact CE3-CE 3.59Å; W16-M61 HydrophobicContact CE3-SD 4.12Å; W16-M61 HydrophobicContact CG-CB 4.1Å; W16-M61 HydrophobicContact CG-CE 4.39Å; W16-M61 HydrophobicContact CG-SD 3.75Å; W16-M61 HydrophobicContact CH2-CB 4.18Å; W16-M61 HydrophobicContact CZ2-CB 3.84Å; W16-M61 HydrophobicContact CZ3-CB 4.25Å; W16-M61 HydrophobicContact CZ3-CE 4.2Å; W16-Y75 WeakPolarHBondContact CA-O 3.32Å; W16-C76 HydrophobicContact CE3-CB 4.24Å; W16-C76 HydrophobicContact CH2-CB 4.34Å; W16-C76 HydrophobicContact CZ3-CB 4.13Å
17	V	97.9	Very high	95.6	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139	-175.2	-177.5	0	0	0	0	109.2	L25 E26 Y74 Y75 F88 W91	V17-L25 HydrophobicContact CG1-CB 3.78Å; V17-L25 HydrophobicContact CG1-CD2 3.87Å; V17-L25 HydrophobicContact CG1-CG 4.33Å; V17-E26 CarbonylContact C-O 3.53Å; V17-E26 WeakPolarHBondContact CA-O 3.43Å; V17-E26 WeakPolarHBondContact CG1-O 3.44Å; V17-Y74 CarbonylContact O-C 3.47Å; V17-Y74 WeakPolarHBondContact O-CA 3.46Å; V17-Y75 PolarHBondContact N-O 2.76Å; V17-Y75 PolarHBondContact O-N 2.74Å; V17-F88 HydrophobicContact CG2-CE2 4.31Å; V17-W91 HydrophobicContact CB-CH2 4.08Å; V17-W91 HydrophobicContact CB-CZ3 3.75Å; V17-W91 HydrophobicContact CG1-CH2 4Å; V17-W91 HydrophobicContact CG1-CZ3 3.97Å; V17-W91 HydrophobicContact CG2-CH2 3.78Å; V17-W91 HydrophobicContact CG2-CZ3 3.79Å
18	K	97.1	Very high	95.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.8	176.3	-178	-177.1	176.5	-171.9	0	109.9	E26 I28 F44 E69 D70 A72 V73 Y74	K18-E26 HydrophobicContact CB-CB 4.43Å; K18-E26 PolarHBondContact N-O 3.19Å; K18-E26 PolarHBondContact O-N 3.23Å; K18-I28 HydrophobicContact CB-CD1 3.98Å; K18-I28 HydrophobicContact CB-CG1 4.29Å; K18-F44 HydrophobicContact CD-CE1 3.96Å; K18-F44 HydrophobicContact CD-CZ 4.2Å; K18-E69 PolarHBondContact NZ-O 2.89Å; K18-D70 IonicContact NZ-OD1 3.9Å; K18-D70 PolarHBondContact NZ-OD1 3.1Å; K18-A72 HydrophobicContact CD-CB 4.04Å; K18-A72 HydrophobicContact CG-CB 3.39Å; K18-V73 CarbonylContact C-O 3.58Å; K18-Y74 HydrophobicContact CB-CD1 4.15Å; K18-Y74 HydrophobicContact CB-CE1 3.97Å; K18-Y74 HydrophobicContact CD-CE1 3.96Å; K18-Y74 WeakPolarHBondContact CE-OH 3.34Å; K18-Y74 HydrophobicContact CG-CD1 4.3Å; K18-Y74 HydrophobicContact CG-CE1 3.81Å; K18-Y74 HydrophobicContact CG-CE2 4.43Å
19	Q	97.8	Very high	96	Very high	66 Å²	66	44.5 Å²	44.5	31%	0.308	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.2	170.9	-165.5	-178.4	22.3	0	0	110.5	L25 A72 V73 Y75	Q19-L25 HydrophobicContact CB-CD2 3.91Å; Q19-L25 HydrophobicContact CG-CD2 4.02Å; Q19-A72 WeakPolarHBondContact O-CA 3.33Å; Q19-A72 VanDerWaalsContact O-CB 3.25Å; Q19-A72 WeakPolarHBondContact O-CB 3.46Å; Q19-V73 PolarHBondContact N-O 2.78Å; Q19-V73 PolarHBondContact O-N 3.37Å; Q19-Y75 HydrophobicContact CB-CE2 3.75Å; Q19-Y75 PolarHBondContact OE1-OH 2.82Å
20	R	96.4	Very high	96.1	Very high	57 Å²	57	45 Å²	45	22%	0.215	26%	0.261	C	S	.	.			trans	-82.4	151.9	170.6	-66	-177	-178.9	131.1	-10.6	110.5	G22 Q23 E26 E69 A72	R20-G22 PolarHBondContact O-N 2.81Å; R20-Q23 HydrophobicContact CB-CB 4.01Å; R20-Q23 HydrophobicContact CB-CG 4.02Å; R20-Q23 PolarHBondContact O-N 3.03Å; R20-E26 IonicContact CZ-OE1 3.89Å; R20-E26 IonicContact NH1-OE1 2.73Å; R20-E26 PolarHBondContact NH1-OE1 3.28Å; R20-E69 VanDerWaalsContact CZ-O 3.25Å; R20-E69 PolarHBondContact NE-O 2.97Å; R20-E69 PolarHBondContact NH2-O 3.17Å; R20-A72 HydrophobicContact CG-CB 4.17Å
21	P	93.6	Very high	96.2	Very high	119 Å²	119	42.4 Å²	42.4	77%	0.773	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	127.2	173.2	-25.7	34.8	0	0	0	111.4	Q23	P21-Q23 PolarHBondContact O-N 2.92Å
22	G	94.3	Very high	96.3	Very high	92 Å²	92	41.1 Å²	41.1	95%	0.948	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	5.2	-179.5	0	0	0	0	0	115.8	R20	R20-G22 PolarHBondContact O-N 2.81Å
23	Q	95.2	Very high	96.5	Very high	97 Å²	97	39.1 Å²	39.1	45%	0.453	23%	0.227	S	C	.	.	S	Bend	trans	-112.9	163.5	177.1	-58.2	-167.2	-0.5	0	0	112.3	R20 P21	R20-Q23 HydrophobicContact CB-CB 4.01Å; R20-Q23 HydrophobicContact CB-CG 4.02Å; R20-Q23 PolarHBondContact O-N 3.03Å; P21-Q23 PolarHBondContact O-N 2.92Å
24	G	95.1	Very high	96.5	Very high	55 Å²	55	38.6 Å²	38.6	57%	0.567	23%	0.234	S	C	*	.			trans	-68.8	175.4	173.3	0	0	0	0	0	113.4
25	L	95.9	Very high	96.5	Very high	97 Å²	97	43.8 Å²	43.8	51%	0.508	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.5	174.7	-65.1	171.3	0	0	0	110.5	V17 Q19 Y75 W91	V17-L25 HydrophobicContact CG1-CB 3.78Å; V17-L25 HydrophobicContact CG1-CD2 3.87Å; V17-L25 HydrophobicContact CG1-CG 4.33Å; Q19-L25 HydrophobicContact CB-CD2 3.91Å; Q19-L25 HydrophobicContact CG-CD2 4.02Å; L25-Y75 HydrophobicContact CD2-CE2 4.48Å; L25-W91 HydrophobicContact CD1-CH2 3.81Å; L25-W91 HydrophobicContact CD1-CZ2 4.22Å
26	E	96.8	Very high	96.4	Very high	35 Å²	35	44.6 Å²	44.6	16%	0.164	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.3	174.9	-64.4	-170.3	-94.9	0	0	109.8	V17 K18 R20 I28 K43 F44	V17-E26 CarbonylContact C-O 3.53Å; V17-E26 WeakPolarHBondContact CA-O 3.43Å; V17-E26 WeakPolarHBondContact CG1-O 3.44Å; K18-E26 HydrophobicContact CB-CB 4.43Å; K18-E26 PolarHBondContact N-O 3.19Å; K18-E26 PolarHBondContact O-N 3.23Å; R20-E26 IonicContact CZ-OE1 3.89Å; R20-E26 IonicContact NH1-OE1 2.73Å; R20-E26 PolarHBondContact NH1-OE1 3.28Å; E26-I28 PolarHBondContact O-N 3.01Å; E26-K43 IonicContact OE2-NZ 3.41Å; E26-F44 HydrophobicContact CB-CE2 4.36Å; E26-F44 HydrophobicContact CB-CZ 4.22Å
27	W	96.8	Very high	96.4	Very high	79 Å²	79	45.4 Å²	45.4	30%	0.299	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.3	175.3	-179.8	71.7	0	0	0	110.9	H15 G29 N30 N39 N41	H15-W27 AromaticContact CG-NE1 3.92Å; H15-W27 AromaticContact ND1-CD1 3.99Å; H15-W27 AromaticContact ND1-CE2 4Å; H15-W27 AromaticContact ND1-NE1 3.18Å; H15-W27 PolarHBondContact ND1-NE1 3.03Å; H15-W27 VanDerWaalsContact ND1-NE1 3.18Å; W27-G29 VanDerWaalsContact CE2-C 3.48Å; W27-G29 PolarHBondContact NE1-O 2.83Å; W27-N30 HydrophobicContact CZ2-CB 4.07Å; W27-N39 HydrophobicContact CH2-CB 4.12Å; W27-N41 HydrophobicContact CE3-CB 3.83Å; W27-N41 HydrophobicContact CZ3-CB 3.99Å; W27-N41 WeakPolarHBondContact O-CB 3.5Å; W27-N41 PolarHBondContact O-ND2 2.93Å
28	I	97.8	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-48.8	-179.2	-68.5	164.5	0	0	0	110.8	W16 K18 E26 N41 F44 A48 M61 Y74	W16-I28 HydrophobicContact CB-CB 4.1Å; W16-I28 HydrophobicContact CB-CD1 4.29Å; W16-I28 HydrophobicContact CB-CG2 4.43Å; W16-I28 WeakPolarHBondContact O-CB 3.37Å; W16-I28 PolarHBondContact O-N 2.64Å; K18-I28 HydrophobicContact CB-CD1 3.98Å; K18-I28 HydrophobicContact CB-CG1 4.29Å; E26-I28 PolarHBondContact O-N 3.01Å; I28-N41 PolarHBondContact O-N 2.85Å; I28-F44 HydrophobicContact CB-CB 4.47Å; I28-F44 HydrophobicContact CB-CD2 4.33Å; I28-F44 HydrophobicContact CB-CG 4.26Å; I28-F44 HydrophobicContact CG1-CD1 3.98Å; I28-F44 HydrophobicContact CG1-CD2 4.09Å; I28-F44 HydrophobicContact CG1-CE1 4.09Å; I28-F44 HydrophobicContact CG1-CE2 4.18Å; I28-F44 HydrophobicContact CG1-CG 3.98Å; I28-F44 HydrophobicContact CG1-CZ 4.18Å; I28-F44 HydrophobicContact CG2-CB 3.81Å; I28-F44 HydrophobicContact CG2-CG 4.08Å; I28-A48 HydrophobicContact CG2-CB 3.83Å; I28-M61 HydrophobicContact CD1-CE 3.99Å; I28-M61 HydrophobicContact CD1-SD 3.76Å; I28-M61 HydrophobicContact CG2-SD 3.92Å; I28-Y74 HydrophobicContact CD1-CD1 3.72Å; I28-Y74 HydrophobicContact CD1-CE1 3.79Å
29	G	97.3	Very high	96.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	176.2	-169.8	0	0	0	0	0	112.6	H15 W16 W27 N39	H15-G29 WeakPolarHBondContact CA-O 3.12Å; W16-G29 PolarHBondContact N-O 3.17Å; W27-G29 VanDerWaalsContact CE2-C 3.48Å; W27-G29 PolarHBondContact NE1-O 2.83Å; G29-N39 CarbonylContact C-O 3.54Å; G29-N39 WeakPolarHBondContact CA-O 3.38Å
30	N	96.8	Very high	96.3	Very high	16 Å²	16	51.3 Å²	51.3	9%	0.086	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.9	171.6	68	41.6	0	0	0	111.9	W13 M14 H15 W27 T38 N39 L50	W13-N30 HydrophobicContact CE3-CB 4.27Å; W13-N30 VanDerWaalsContact CE3-OD1 3.23Å; W13-N30 WeakPolarHBondContact CZ3-OD1 3.24Å; M14-N30 CarbonylContact O-C 3.57Å; M14-N30 WeakPolarHBondContact O-CA 3.21Å; M14-N30 WeakPolarHBondContact O-CB 3.25Å; H15-N30 HydrophobicContact CB-CB 4.39Å; H15-N30 PolarHBondContact CE1-ND2 2.87Å; W27-N30 HydrophobicContact CZ2-CB 4.07Å; N30-T38 VanDerWaalsContact O-CA 3.27Å; N30-T38 WeakPolarHBondContact O-CA 3.37Å; N30-N39 PolarHBondContact N-O 3.11Å; N30-N39 PolarHBondContact O-N 2.81Å; N30-N39 WeakPolarHBondContact OD1-CB 3.03Å; N30-N39 PolarHBondContact OD1-ND2 2.8Å; N30-L50 WeakPolarHBondContact O-CD1 3.26Å
31	I	97.8	Very high	96.3	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.8	172.9	-174.4	164.3	0	0	0	109.6	M14 P33 G37 T38 L50 V52 A59	M14-I31 HydrophobicContact CB-CG2 4.05Å; M14-I31 PolarHBondContact N-O 3.03Å; M14-I31 PolarHBondContact O-N 3.32Å; I31-P33 VanDerWaalsContact O-CD 3.28Å; I31-P33 WeakPolarHBondContact O-CD 3.21Å; I31-G37 CarbonylContact C-O 3.48Å; I31-G37 WeakPolarHBondContact CA-O 3.5Å; I31-T38 HydrophobicContact CB-CG2 3.95Å; I31-T38 HydrophobicContact CD1-CG2 3.83Å; I31-T38 HydrophobicContact CG1-CG2 3.75Å; I31-L50 HydrophobicContact CB-CB 4.14Å; I31-L50 HydrophobicContact CB-CD1 4.47Å; I31-L50 HydrophobicContact CD1-CB 4.31Å; I31-V52 HydrophobicContact CD1-CB 4Å; I31-V52 HydrophobicContact CD1-CG1 4.11Å; I31-A59 HydrophobicContact CG2-CB 4.4Å
32	N	96.3	Very high	96.4	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.048	31%	0.312	C	S	.	.			trans	-83.7	111.1	169.4	-178.1	-40.1	0	0	0	108.7	W13 S34 N35 G36 G37 Y81	W13-N32 HydrophobicContact CD2-CB 4.3Å; W13-N32 HydrophobicContact CE3-CB 3.73Å; W13-N32 HydrophobicContact CH2-CB 3.64Å; W13-N32 HydrophobicContact CZ2-CB 4.21Å; W13-N32 HydrophobicContact CZ3-CB 3.41Å; W13-N32 VanDerWaalsContact CZ3-CB 3.41Å; N32-S34 PolarHBondContact O-N 2.9Å; N32-S34 VanDerWaalsContact OD1-CA 3.3Å; N32-S34 WeakPolarHBondContact OD1-CA 3.4Å; N32-S34 VanDerWaalsContact OD1-CB 3.24Å; N32-S34 WeakPolarHBondContact OD1-CB 3.42Å; N32-S34 PolarHBondContact OD1-N 2.73Å; N32-S34 PolarHBondContact OD1-OG 3.21Å; N32-N35 VanDerWaalsContact CB-OD1 3.23Å; N32-N35 WeakPolarHBondContact CB-OD1 3.35Å; N32-N35 PolarHBondContact ND2-OD1 3.41Å; N32-N35 PolarHBondContact OD1-N 2.89Å; N32-N35 VanDerWaalsContact OD1-N 3.12Å; N32-N35 PolarHBondContact OD1-OD1 3.15Å; N32-G36 WeakPolarHBondContact O-CA 3.32Å; N32-G36 PolarHBondContact O-N 2.93Å; N32-G37 PolarHBondContact N-O 3.47Å; N32-Y81 WeakPolarHBondContact CA-OH 3.33Å; N32-Y81 VanDerWaalsContact ND2-CE1 3.33Å; N32-Y81 WeakPolarHBondContact ND2-CE1 3.47Å; N32-Y81 PolarHBondContact ND2-OH 2.9Å; N32-Y81 PolarHBondContact OD1-OH 3.48Å
33	P	96.8	Very high	96.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.8	178	-23.6	38.2	0	0	0	114.4	F9 Y12 I31 V52 K54 Y81	F9-P33 HydrophobicContact CD1-CB 3.87Å; F9-P33 HydrophobicContact CD1-CG 4.48Å; F9-P33 HydrophobicContact CD2-CB 4.43Å; F9-P33 HydrophobicContact CD2-CG 4.2Å; F9-P33 HydrophobicContact CE1-CB 3.61Å; F9-P33 HydrophobicContact CE1-CG 4.1Å; F9-P33 HydrophobicContact CE2-CB 4.16Å; F9-P33 HydrophobicContact CE2-CG 3.75Å; F9-P33 HydrophobicContact CG-CB 4.31Å; F9-P33 HydrophobicContact CZ-CB 3.76Å; F9-P33 HydrophobicContact CZ-CG 3.7Å; Y12-P33 WeakPolarHBondContact O-CD 3.39Å; Y12-P33 WeakPolarHBondContact O-CG 3.31Å; I31-P33 VanDerWaalsContact O-CD 3.28Å; I31-P33 WeakPolarHBondContact O-CD 3.21Å; P33-V52 HydrophobicContact CB-CG2 3.93Å; P33-K54 WeakPolarHBondContact O-CD 2.99Å; P33-K54 WeakPolarHBondContact O-CE 3.01Å; P33-Y81 WeakPolarHBondContact CD-OH 3.45Å
34	S	95.6	Very high	96.4	Very high	54 Å²	54	49.9 Å²	49.9	38%	0.378	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-41.4	-179.3	88.4	0	0	0	0	112.2	N32 K54	N32-S34 PolarHBondContact O-N 2.9Å; N32-S34 VanDerWaalsContact OD1-CA 3.3Å; N32-S34 WeakPolarHBondContact OD1-CA 3.4Å; N32-S34 VanDerWaalsContact OD1-CB 3.24Å; N32-S34 WeakPolarHBondContact OD1-CB 3.42Å; N32-S34 PolarHBondContact OD1-N 2.73Å; N32-S34 PolarHBondContact OD1-OG 3.21Å; S34-K54 PolarHBondContact O-NZ 3.06Å
35	N	95.3	Very high	96.3	Very high	111 Å²	111	52.5 Å²	52.5	59%	0.594	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-5.6	-175.9	67.3	18.8	0	0	0	115	N32 G37	N32-N35 VanDerWaalsContact CB-OD1 3.23Å; N32-N35 WeakPolarHBondContact CB-OD1 3.35Å; N32-N35 PolarHBondContact ND2-OD1 3.41Å; N32-N35 PolarHBondContact OD1-N 2.89Å; N32-N35 VanDerWaalsContact OD1-N 3.12Å; N32-N35 PolarHBondContact OD1-OD1 3.15Å; N35-G37 VanDerWaalsContact C-N 3.29Å; N35-G37 PolarHBondContact O-N 3.06Å; N35-G37 PolarHBondContact OD1-N 2.86Å
36	G	96	Very high	96.2	Very high	32 Å²	32	52.7 Å²	52.7	33%	0.33	28%	0.283	S	S	.	.			trans	79.5	4.7	179.6	0	0	0	0	0	114.6	N32 T38	N32-G36 WeakPolarHBondContact O-CA 3.32Å; N32-G36 PolarHBondContact O-N 2.93Å; G36-T38 PolarHBondContact O-N 3.05Å
37	G	96.9	Very high	96.2	Very high	30 Å²	30	53.3 Å²	53.3	31%	0.309	29%	0.285	S	S	.	.			trans	-59.7	135.7	176.1	0	0	0	0	0	111.3	I31 N32 N35	I31-G37 CarbonylContact C-O 3.48Å; I31-G37 WeakPolarHBondContact CA-O 3.5Å; N32-G37 PolarHBondContact N-O 3.47Å; N35-G37 VanDerWaalsContact C-N 3.29Å; N35-G37 PolarHBondContact O-N 3.06Å; N35-G37 PolarHBondContact OD1-N 2.86Å
38	T	97.7	Very high	96.2	Very high	56 Å²	56	49.7 Å²	49.7	34%	0.344	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.2	-176.7	51.1	0	0	0	0	111.3	N30 I31 G36 Y40 L50	N30-T38 VanDerWaalsContact O-CA 3.27Å; N30-T38 WeakPolarHBondContact O-CA 3.37Å; I31-T38 HydrophobicContact CB-CG2 3.95Å; I31-T38 HydrophobicContact CD1-CG2 3.83Å; I31-T38 HydrophobicContact CG1-CG2 3.75Å; G36-T38 PolarHBondContact O-N 3.05Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.46Å; T38-L50 HydrophobicContact CG2-CB 3.94Å
39	N	96.9	Very high	96.2	Very high	80 Å²	80	52.9 Å²	52.9	43%	0.428	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.5	168.5	-59.7	-73.5	0	0	0	108.9	W27 G29 N30	W27-N39 HydrophobicContact CH2-CB 4.12Å; G29-N39 CarbonylContact C-O 3.54Å; G29-N39 WeakPolarHBondContact CA-O 3.38Å; N30-N39 PolarHBondContact N-O 3.11Å; N30-N39 PolarHBondContact O-N 2.81Å; N30-N39 WeakPolarHBondContact OD1-CB 3.03Å; N30-N39 PolarHBondContact OD1-ND2 2.8Å
40	Y	97.8	Very high	96.3	Very high	55 Å²	55	53.2 Å²	53.2	22%	0.216	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.6	-177.8	-65.2	-89.2	0	0	0	110.6	T38 K45 A48 L50	T38-Y40 WeakPolarHBondContact OG1-CE2 3.46Å; Y40-K45 HydrophobicContact CD2-CG 4.46Å; Y40-K45 HydrophobicContact CG-CB 4.47Å; Y40-K45 HydrophobicContact CG-CG 4.27Å; Y40-A48 HydrophobicContact CE1-CB 4.38Å; Y40-A48 WeakPolarHBondContact CE1-O 3.27Å; Y40-L50 HydrophobicContact CE1-CD1 4.03Å; Y40-L50 HydrophobicContact CE1-CG 3.69Å; Y40-L50 PolarHBondContact OH-N 2.85Å
41	N	96.7	Very high	96.3	Very high	47 Å²	47	55.8 Å²	55.8	25%	0.251	31%	0.31	S	S	.	.			trans	-75.2	131.9	155.2	179.3	-21.2	0	0	0	108.3	W27 I28 K43 F44 K45	W27-N41 HydrophobicContact CE3-CB 3.83Å; W27-N41 HydrophobicContact CZ3-CB 3.99Å; W27-N41 WeakPolarHBondContact O-CB 3.5Å; W27-N41 PolarHBondContact O-ND2 2.93Å; I28-N41 PolarHBondContact O-N 2.85Å; N41-K43 PolarHBondContact O-N 3.2Å; N41-K43 PolarHBondContact OD1-N 3.13Å; N41-K43 VanDerWaalsContact OD1-N 3.15Å; N41-F44 HydrophobicContact CB-CD2 4.02Å; N41-F44 PolarHBondContact O-N 2.77Å; N41-K45 PolarHBondContact O-N 2.95Å
42	E	95.7	Very high	96.4	Very high	132 Å²	132	57.4 Å²	57.4	62%	0.617	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.2	-176	-69.2	-61.2	147.9	0	0	112.9	F44 K45	E42-F44 PolarHBondContact O-N 2.92Å; E42-K45 IonicContact OE1-NZ 3.01Å; E42-K45 PolarHBondContact OE1-NZ 2.9Å; E42-K45 VanDerWaalsContact OE2-CD 3.27Å; E42-K45 WeakPolarHBondContact OE2-CD 3.47Å; E42-K45 IonicContact OE2-NZ 3.37Å; E42-K45 PolarHBondContact OE2-NZ 3.12Å
43	K	93.3	Very high	96.4	Very high	144 Å²	144	59.6 Å²	59.6	63%	0.626	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28	175	-67.5	-174.4	-178.5	-179	0	114.2	E26 N41	E26-K43 IonicContact OE2-NZ 3.41Å; N41-K43 PolarHBondContact O-N 3.2Å; N41-K43 PolarHBondContact OD1-N 3.13Å; N41-K43 VanDerWaalsContact OD1-N 3.15Å
44	F	94.9	Very high	96.3	Very high	12 Å²	12	64.8 Å²	64.8	5%	0.053	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-8.2	-172.4	-60.8	-82.3	0	0	0	113.4	K18 E26 I28 N41 E42 S46 K47 A48	K18-F44 HydrophobicContact CD-CE1 3.96Å; K18-F44 HydrophobicContact CD-CZ 4.2Å; E26-F44 HydrophobicContact CB-CE2 4.36Å; E26-F44 HydrophobicContact CB-CZ 4.22Å; I28-F44 HydrophobicContact CB-CB 4.47Å; I28-F44 HydrophobicContact CB-CD2 4.33Å; I28-F44 HydrophobicContact CB-CG 4.26Å; I28-F44 HydrophobicContact CG1-CD1 3.98Å; I28-F44 HydrophobicContact CG1-CD2 4.09Å; I28-F44 HydrophobicContact CG1-CE1 4.09Å; I28-F44 HydrophobicContact CG1-CE2 4.18Å; I28-F44 HydrophobicContact CG1-CG 3.98Å; I28-F44 HydrophobicContact CG1-CZ 4.18Å; I28-F44 HydrophobicContact CG2-CB 3.81Å; I28-F44 HydrophobicContact CG2-CG 4.08Å; N41-F44 HydrophobicContact CB-CD2 4.02Å; N41-F44 PolarHBondContact O-N 2.77Å; E42-F44 PolarHBondContact O-N 2.92Å; F44-S46 PolarHBondContact O-N 3.18Å; F44-S46 VanDerWaalsContact O-N 3.16Å; F44-K47 PolarHBondContact O-N 3.05Å; F44-A48 HydrophobicContact CB-CB 4.47Å; F44-A48 PolarHBondContact O-N 2.85Å
45	K	93.8	Very high	96.3	Very high	111 Å²	111	67.6 Å²	67.6	48%	0.483	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31	-174.8	-167.7	177.3	-170.5	174.5	0	113.9	Y40 N41 E42	Y40-K45 HydrophobicContact CD2-CG 4.46Å; Y40-K45 HydrophobicContact CG-CB 4.47Å; Y40-K45 HydrophobicContact CG-CG 4.27Å; N41-K45 PolarHBondContact O-N 2.95Å; E42-K45 IonicContact OE1-NZ 3.01Å; E42-K45 PolarHBondContact OE1-NZ 2.9Å; E42-K45 VanDerWaalsContact OE2-CD 3.27Å; E42-K45 WeakPolarHBondContact OE2-CD 3.47Å; E42-K45 IonicContact OE2-NZ 3.37Å; E42-K45 PolarHBondContact OE2-NZ 3.12Å
46	S	94.3	Very high	96.4	Very high	100 Å²	100	64 Å²	64	70%	0.699	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.5	175.9	58.4	0	0	0	0	114.2	F44	F44-S46 PolarHBondContact O-N 3.18Å; F44-S46 VanDerWaalsContact O-N 3.16Å
47	K	95.1	Very high	96.5	Very high	48 Å²	48	64.4 Å²	64.4	21%	0.209	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-24.9	-174.4	-66.2	-171.3	174.7	-170.2	0	113.7	F44 L63 S64 D70	F44-K47 PolarHBondContact O-N 3.05Å; K47-L63 CarbonylContact O-C 3.56Å; K47-L63 VanDerWaalsContact O-CA 3.29Å; K47-L63 WeakPolarHBondContact O-CA 3.22Å; K47-S64 PolarHBondContact O-N 2.86Å; K47-S64 PolarHBondContact O-OG 3.36Å; K47-D70 IonicContact NZ-OD1 3.42Å; K47-D70 PolarHBondContact NZ-OD1 3.2Å; K47-D70 IonicContact NZ-OD2 2.85Å; K47-D70 PolarHBondContact NZ-OD2 2.82Å
48	A	97.4	Very high	96.5	Very high	3 Å²	3	63.3 Å²	63.3	3%	0.025	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.5	-172.8	0	0	0	0	0	111.2	I28 Y40 F44 M61 Q62 L63	I28-A48 HydrophobicContact CG2-CB 3.83Å; Y40-A48 HydrophobicContact CE1-CB 4.38Å; Y40-A48 WeakPolarHBondContact CE1-O 3.27Å; F44-A48 HydrophobicContact CB-CB 4.47Å; F44-A48 PolarHBondContact O-N 2.85Å; A48-M61 HydrophobicContact CB-CG 4.39Å; A48-M61 HydrophobicContact CB-SD 4.47Å; A48-Q62 WeakPolarHBondContact CA-O 3.38Å; A48-L63 HydrophobicContact CB-CD2 4.01Å
49	T	98.3	Very high	96.6	Very high	67 Å²	67	60.6 Å²	60.6	41%	0.411	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.7	168.8	-59.9	0	0	0	0	108.7	T51 M61 Q62	T49-T51 HydrophobicContact CG2-CG2 4.28Å; T49-M61 WeakPolarHBondContact O-CA 3.43Å; T49-Q62 PolarHBondContact N-O 2.88Å; T49-Q62 PolarHBondContact O-N 2.87Å
50	L	98.5	Very high	96.6	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.3	178.8	-52.6	-175.7	0	0	0	110.7	W16 N30 I31 T38 Y40 Y60 M61	W16-L50 VanDerWaalsContact CD1-CD2 3.46Å; W16-L50 HydrophobicContact CG-CD2 4.15Å; N30-L50 WeakPolarHBondContact O-CD1 3.26Å; I31-L50 HydrophobicContact CB-CB 4.14Å; I31-L50 HydrophobicContact CB-CD1 4.47Å; I31-L50 HydrophobicContact CD1-CB 4.31Å; T38-L50 HydrophobicContact CG2-CB 3.94Å; Y40-L50 HydrophobicContact CE1-CD1 4.03Å; Y40-L50 HydrophobicContact CE1-CG 3.69Å; Y40-L50 PolarHBondContact OH-N 2.85Å; L50-Y60 WeakPolarHBondContact CA-O 3.14Å; L50-M61 HydrophobicContact CD2-CB 3.67Å; L50-M61 HydrophobicContact CD2-CG 3.63Å; L50-M61 HydrophobicContact CD2-SD 4.15Å
51	T	98.4	Very high	96.7	Very high	70 Å²	70	59.7 Å²	59.7	43%	0.429	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	166.6	176.7	60.9	0	0	0	0	111.2	T49 Y60	T49-T51 HydrophobicContact CG2-CG2 4.28Å; T51-Y60 PolarHBondContact N-O 3.03Å; T51-Y60 PolarHBondContact O-N 2.86Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.4Å
52	V	98.1	Very high	96.7	Very high	37 Å²	37	63.8 Å²	63.8	22%	0.224	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139	-179.1	68.4	0	0	0	0	111.2	F9 I31 P33	F9-V52 HydrophobicContact CE1-CG2 3.34Å; F9-V52 HydrophobicContact CZ-CG2 3.57Å; I31-V52 HydrophobicContact CD1-CB 4Å; I31-V52 HydrophobicContact CD1-CG1 4.11Å; P33-V52 HydrophobicContact CB-CG2 3.93Å
53	D	97.4	Very high	96.8	Very high	54 Å²	54	59.5 Å²	59.5	29%	0.289	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	108.9	164.9	174.8	9.9	0	0	0	108.7	S55 S56 S57 T58 Y60	D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 WeakPolarHBondContact OD1-CB 3.26Å; D53-S55 PolarHBondContact OD1-N 3.18Å; D53-S55 PolarHBondContact OD1-OG 2.91Å; D53-S55 PolarHBondContact OD2-OG 3.23Å; D53-S56 PolarHBondContact OD1-N 3.16Å; D53-S56 VanDerWaalsContact OD2-CB 3.27Å; D53-S56 WeakPolarHBondContact OD2-CB 3.44Å; D53-S56 PolarHBondContact OD2-OG 2.85Å; D53-S57 PolarHBondContact O-N 2.03Å; D53-S57 VanDerWaalsContact O-N 3.15Å; D53-T58 PolarHBondContact N-O 2.82Å; D53-T58 PolarHBondContact O-N 3.24Å; D53-Y60 HydrophobicContact CB-CE2 3.86Å
54	K	95.3	Very high	96.9	Very high	110 Å²	110	55 Å²	55	48%	0.478	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-31.2	-178.9	-56.7	-175.4	-161.4	179.4	0	111.7	P33 S34 S57	P33-K54 WeakPolarHBondContact O-CD 2.99Å; P33-K54 WeakPolarHBondContact O-CE 3.01Å; S34-K54 PolarHBondContact O-NZ 3.06Å; K54-S57 PolarHBondContact O-N 2.78Å
55	S	95.1	Very high	96.7	Very high	112 Å²	112	59.3 Å²	59.3	78%	0.783	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-40.1	-176.5	72.7	0	0	0	0	111.7	D53	D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 WeakPolarHBondContact OD1-CB 3.26Å; D53-S55 PolarHBondContact OD1-N 3.18Å; D53-S55 PolarHBondContact OD1-OG 2.91Å; D53-S55 PolarHBondContact OD2-OG 3.23Å
56	S	96.9	Very high	96.7	Very high	36 Å²	36	56.6 Å²	56.6	25%	0.252	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.4	176.4	67	0	0	0	0	113.8	D53 T58	D53-S56 PolarHBondContact OD1-N 3.16Å; D53-S56 VanDerWaalsContact OD2-CB 3.27Å; D53-S56 WeakPolarHBondContact OD2-CB 3.44Å; D53-S56 PolarHBondContact OD2-OG 2.85Å; S56-T58 VanDerWaalsContact C-N 3.27Å; S56-T58 PolarHBondContact O-N 3.22Å; S56-T58 PolarHBondContact O-OG1 3.42Å; S56-T58 WeakPolarHBondContact OG-CB 3.29Å; S56-T58 PolarHBondContact OG-OG1 2.92Å; S56-T58 VanDerWaalsContact OG-OG1 3.06Å
57	S	97.4	Very high	96.7	Very high	40 Å²	40	54.9 Å²	54.9	28%	0.28	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	44.6	-172.4	-63.5	0	0	0	0	113	A4 F9 D53 K54	A4-S57 WeakPolarHBondContact CB-O 3.18Å; A4-S57 PolarHBondContact N-O 2.86Å; F9-S57 VanDerWaalsContact CD1-CA 3.42Å; D53-S57 PolarHBondContact O-N 2.03Å; D53-S57 VanDerWaalsContact O-N 3.15Å; K54-S57 PolarHBondContact O-N 2.78Å
58	T	98.3	Very high	96.7	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.043	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.6	-174.4	-52.5	0	0	0	0	111.3	C2 K3 D53 S56 Y60	C2-T58 WeakPolarHBondContact O-CA 3.44Å; K3-T58 HydrophobicContact CB-CG2 4.39Å; D53-T58 PolarHBondContact N-O 2.82Å; D53-T58 PolarHBondContact O-N 3.24Å; S56-T58 VanDerWaalsContact C-N 3.27Å; S56-T58 PolarHBondContact O-N 3.22Å; S56-T58 PolarHBondContact O-OG1 3.42Å; S56-T58 WeakPolarHBondContact OG-CB 3.29Å; S56-T58 PolarHBondContact OG-OG1 2.92Å; S56-T58 VanDerWaalsContact OG-OG1 3.06Å; T58-Y60 HydrophobicContact CG2-CD1 4.44Å; T58-Y60 HydrophobicContact CG2-CD2 4.26Å; T58-Y60 HydrophobicContact CG2-CE1 3.82Å; T58-Y60 HydrophobicContact CG2-CE2 3.62Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.37Å; T58-Y60 WeakPolarHBondContact O-CE2 3.28Å
59	A	98.2	Very high	96.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	148.8	167.2	0	0	0	0	0	110.5	S1 C2 F9 M14 W16 I31	S1-A59 CarbonylContact C-O 3.45Å; S1-A59 WeakPolarHBondContact CA-O 3.25Å; C2-A59 PolarHBondContact N-O 3.24Å; C2-A59 PolarHBondContact O-N 3.01Å; F9-A59 HydrophobicContact CE2-CB 4.47Å; F9-A59 HydrophobicContact CZ-CB 4.07Å; M14-A59 HydrophobicContact CB-CB 4.04Å; M14-A59 HydrophobicContact CG-CB 3.57Å; W16-A59 HydrophobicContact CZ2-CB 4.37Å; I31-A59 HydrophobicContact CG2-CB 4.4Å
60	Y	98.5	Very high	96.3	Very high	86 Å²	86	59.3 Å²	59.3	34%	0.337	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.4	179.3	-57.5	-95.2	0	0	0	110.1	S1 L50 T51 D53 T58	S1-Y60 VanDerWaalsContact CB-CD1 3.47Å; S1-Y60 VanDerWaalsContact CB-CE1 3.47Å; L50-Y60 WeakPolarHBondContact CA-O 3.14Å; T51-Y60 PolarHBondContact N-O 3.03Å; T51-Y60 PolarHBondContact O-N 2.86Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.4Å; D53-Y60 HydrophobicContact CB-CE2 3.86Å; T58-Y60 HydrophobicContact CG2-CD1 4.44Å; T58-Y60 HydrophobicContact CG2-CD2 4.26Å; T58-Y60 HydrophobicContact CG2-CE1 3.82Å; T58-Y60 HydrophobicContact CG2-CE2 3.62Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.37Å; T58-Y60 WeakPolarHBondContact O-CE2 3.28Å
61	M	98.2	Very high	96.2	Very high	29 Å²	29	60.5 Å²	60.5	14%	0.143	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.6	166.1	175.3	173.7	70.1	0	0	106.3	W16 I28 A48 T49 L50 L63 Y74	W16-M61 HydrophobicContact CB-CE 4.36Å; W16-M61 HydrophobicContact CB-SD 3.69Å; W16-M61 HydrophobicContact CD2-CB 3.64Å; W16-M61 HydrophobicContact CD2-CE 4.04Å; W16-M61 HydrophobicContact CD2-CG 4.41Å; W16-M61 HydrophobicContact CD2-SD 3.93Å; W16-M61 HydrophobicContact CE3-CB 4Å; W16-M61 HydrophobicContact CE3-CE 3.59Å; W16-M61 HydrophobicContact CE3-SD 4.12Å; W16-M61 HydrophobicContact CG-CB 4.1Å; W16-M61 HydrophobicContact CG-CE 4.39Å; W16-M61 HydrophobicContact CG-SD 3.75Å; W16-M61 HydrophobicContact CH2-CB 4.18Å; W16-M61 HydrophobicContact CZ2-CB 3.84Å; W16-M61 HydrophobicContact CZ3-CB 4.25Å; W16-M61 HydrophobicContact CZ3-CE 4.2Å; I28-M61 HydrophobicContact CD1-CE 3.99Å; I28-M61 HydrophobicContact CD1-SD 3.76Å; I28-M61 HydrophobicContact CG2-SD 3.92Å; A48-M61 HydrophobicContact CB-CG 4.39Å; A48-M61 HydrophobicContact CB-SD 4.47Å; T49-M61 WeakPolarHBondContact O-CA 3.43Å; L50-M61 HydrophobicContact CD2-CB 3.67Å; L50-M61 HydrophobicContact CD2-CG 3.63Å; L50-M61 HydrophobicContact CD2-SD 4.15Å; M61-L63 HydrophobicContact CE-CD1 4.12Å; M61-L63 HydrophobicContact CE-CD2 4.28Å; M61-L63 HydrophobicContact CE-CG 4.23Å; M61-L63 HydrophobicContact CG-CD2 4.18Å; M61-L63 HydrophobicContact CG-CG 4.29Å; M61-L63 HydrophobicContact SD-CD2 4.1Å; M61-Y74 HydrophobicContact CE-CD1 3.65Å; M61-Y74 HydrophobicContact CE-CE1 4.3Å; M61-Y74 HydrophobicContact CE-CG 4.36Å
62	Q	98	Very high	96.2	Very high	133 Å²	133	57.5 Å²	57.5	62%	0.621	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.7	170.1	-176.6	176.6	10.6	0	0	107.7	A48 T49	A48-Q62 WeakPolarHBondContact CA-O 3.38Å; T49-Q62 PolarHBondContact N-O 2.88Å; T49-Q62 PolarHBondContact O-N 2.87Å
63	L	96.5	Very high	96.2	Very high	42 Å²	42	57.5 Å²	57.5	22%	0.22	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135	174.8	-66.7	171.1	0	0	0	109.2	K47 A48 M61 L66 Y74	K47-L63 CarbonylContact O-C 3.56Å; K47-L63 VanDerWaalsContact O-CA 3.29Å; K47-L63 WeakPolarHBondContact O-CA 3.22Å; A48-L63 HydrophobicContact CB-CD2 4.01Å; M61-L63 HydrophobicContact CE-CD1 4.12Å; M61-L63 HydrophobicContact CE-CD2 4.28Å; M61-L63 HydrophobicContact CE-CG 4.23Å; M61-L63 HydrophobicContact CG-CD2 4.18Å; M61-L63 HydrophobicContact CG-CG 4.29Å; M61-L63 HydrophobicContact SD-CD2 4.1Å; L63-L66 HydrophobicContact CB-CD1 3.93Å; L63-L66 HydrophobicContact CB-CD2 3.75Å; L63-L66 HydrophobicContact CB-CG 4.04Å; L63-L66 HydrophobicContact CD1-CD1 4.35Å; L63-L66 HydrophobicContact CD1-CD2 4.25Å; L63-L66 HydrophobicContact CG-CD2 4.4Å; L63-Y74 HydrophobicContact CD1-CD1 4.25Å; L63-Y74 HydrophobicContact CD1-CE1 3.74Å
64	S	95.4	Very high	96.2	Very high	49 Å²	49	55.2 Å²	55.2	34%	0.343	31%	0.314	S	S	.	.			trans	-127.2	157.2	177.7	58	0	0	0	0	110.9	K47 L66	K47-S64 PolarHBondContact O-N 2.86Å; K47-S64 PolarHBondContact O-OG 3.36Å; S64-L66 VanDerWaalsContact C-N 3.26Å; S64-L66 PolarHBondContact O-N 3.39Å
65	S	92.2	Very high	96.4	Very high	104 Å²	104	52 Å²	52	73%	0.727	30%	0.299	S	S	*	.	S	Bend	trans	52.9	42.6	176.6	-54.3	0	0	0	0	113.4
66	L	93.4	Very high	96.5	Very high	54 Å²	54	47.4 Å²	47.4	28%	0.283	27%	0.267	S	S	.	.			trans	-71.2	142.5	-178.4	-66	-177.7	0	0	0	111.6	L63 S64 D70 V97 V99	L63-L66 HydrophobicContact CB-CD1 3.93Å; L63-L66 HydrophobicContact CB-CD2 3.75Å; L63-L66 HydrophobicContact CB-CG 4.04Å; L63-L66 HydrophobicContact CD1-CD1 4.35Å; L63-L66 HydrophobicContact CD1-CD2 4.25Å; L63-L66 HydrophobicContact CG-CD2 4.4Å; S64-L66 VanDerWaalsContact C-N 3.26Å; S64-L66 PolarHBondContact O-N 3.39Å; L66-D70 HydrophobicContact CB-CB 4.33Å; L66-D70 HydrophobicContact CD2-CB 3.72Å; L66-V97 HydrophobicContact CD1-CG1 4.4Å; L66-V99 HydrophobicContact CB-CG1 4.31Å; L66-V99 HydrophobicContact CB-CG2 3.97Å; L66-V99 HydrophobicContact CD1-CG2 4.02Å
67	T	94.6	Very high	96.4	Very high	63 Å²	63	45.8 Å²	45.8	39%	0.387	26%	0.256	S	S	.	.			trans	-115.4	173.8	171.5	67.4	0	0	0	0	110.8	E69 D70 V99	T67-E69 PolarHBondContact O-N 2.89Å; T67-D70 PolarHBondContact N-OD2 2.95Å; T67-D70 VanDerWaalsContact N-OD2 3.11Å; T67-D70 WeakPolarHBondContact O-CA 3.27Å; T67-D70 WeakPolarHBondContact O-CB 3.16Å; T67-D70 PolarHBondContact O-N 3.42Å; T67-V99 WeakPolarHBondContact O-CB 3.11Å; T67-V99 WeakPolarHBondContact O-CG1 3.4Å
68	S	94.6	Very high	96.2	Very high	75 Å²	75	46.2 Å²	46.2	52%	0.524	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-56.6	-30.8	176.7	54.9	0	0	0	0	113.2	D70 S71 V99	S68-D70 PolarHBondContact O-N 2.96Å; S68-S71 VanDerWaalsContact O-CB 3.31Å; S68-S71 WeakPolarHBondContact O-CB 3.44Å; S68-S71 PolarHBondContact O-N 3.03Å; S68-S71 VanDerWaalsContact O-N 3.1Å; S68-S71 PolarHBondContact O-OG 2.85Å; S68-V99 WeakPolarHBondContact CA-O 3.42Å
69	E	91.8	Very high	95.9	Very high	133 Å²	133	47 Å²	47	62%	0.621	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-66.6	-12	173.7	-59.3	-176.3	175.8	0	0	113.8	K18 R20 T67 S71	K18-E69 PolarHBondContact NZ-O 2.89Å; R20-E69 VanDerWaalsContact CZ-O 3.25Å; R20-E69 PolarHBondContact NE-O 2.97Å; R20-E69 PolarHBondContact NH2-O 3.17Å; T67-E69 PolarHBondContact O-N 2.89Å; E69-S71 VanDerWaalsContact C-N 3.33Å
70	D	94.6	Very high	95.5	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-87	-3.9	174.3	-64.4	-47.3	0	0	0	113.9	K18 K47 L66 T67 S68 A72 Y74	K18-D70 IonicContact NZ-OD1 3.9Å; K18-D70 PolarHBondContact NZ-OD1 3.1Å; K47-D70 IonicContact NZ-OD1 3.42Å; K47-D70 PolarHBondContact NZ-OD1 3.2Å; K47-D70 IonicContact NZ-OD2 2.85Å; K47-D70 PolarHBondContact NZ-OD2 2.82Å; L66-D70 HydrophobicContact CB-CB 4.33Å; L66-D70 HydrophobicContact CD2-CB 3.72Å; T67-D70 PolarHBondContact N-OD2 2.95Å; T67-D70 VanDerWaalsContact N-OD2 3.11Å; T67-D70 WeakPolarHBondContact O-CA 3.27Å; T67-D70 WeakPolarHBondContact O-CB 3.16Å; T67-D70 PolarHBondContact O-N 3.42Å; S68-D70 PolarHBondContact O-N 2.96Å; D70-A72 PolarHBondContact O-N 3.01Å; D70-Y74 WeakPolarHBondContact O-CE2 3.46Å; D70-Y74 PolarHBondContact O-OH 3.23Å
71	S	97	Very high	94.8	Very high	33 Å²	33	52 Å²	52	23%	0.231	28%	0.275	C	S	.	.			trans	-63	118.6	171.9	-60.1	0	0	0	0	111.2	S68 E69 V97 V99	S68-S71 VanDerWaalsContact O-CB 3.31Å; S68-S71 WeakPolarHBondContact O-CB 3.44Å; S68-S71 PolarHBondContact O-N 3.03Å; S68-S71 VanDerWaalsContact O-N 3.1Å; S68-S71 PolarHBondContact O-OG 2.85Å; E69-S71 VanDerWaalsContact C-N 3.33Å; S71-V97 VanDerWaalsContact CA-O 3.27Å; S71-V97 WeakPolarHBondContact CA-O 3.27Å; S71-V99 PolarHBondContact OG-N 2.64Å; S71-V99 PolarHBondContact OG-O 2.92Å
72	A	97.6	Very high	93.7	Very high	6 Å²	6	53.5 Å²	53.5	5%	0.05	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	170.3	-172.8	0	0	0	0	0	111.3	K18 Q19 R20 D70 Y74 V97	K18-A72 HydrophobicContact CD-CB 4.04Å; K18-A72 HydrophobicContact CG-CB 3.39Å; Q19-A72 WeakPolarHBondContact O-CA 3.33Å; Q19-A72 VanDerWaalsContact O-CB 3.25Å; Q19-A72 WeakPolarHBondContact O-CB 3.46Å; R20-A72 HydrophobicContact CG-CB 4.17Å; D70-A72 PolarHBondContact O-N 3.01Å; A72-Y74 HydrophobicContact CB-CD2 4.31Å; A72-Y74 HydrophobicContact CB-CE2 3.78Å; A72-Y74 WeakPolarHBondContact O-CD2 3.39Å; A72-V97 PolarHBondContact N-O 3.49Å; A72-V97 PolarHBondContact O-N 2.69Å
73	V	98.4	Very high	92.5	Very high	37 Å²	37	48.9 Å²	48.9	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.3	161.5	-170.5	0	0	0	0	108.6	K18 Q19 Y75 T95	K18-V73 CarbonylContact C-O 3.58Å; Q19-V73 PolarHBondContact N-O 2.78Å; Q19-V73 PolarHBondContact O-N 3.37Å; V73-Y75 HydrophobicContact CB-CE2 3.8Å; V73-Y75 HydrophobicContact CG1-CD1 4.4Å; V73-Y75 HydrophobicContact CG1-CD2 4.29Å; V73-Y75 HydrophobicContact CG1-CE1 3.73Å; V73-Y75 HydrophobicContact CG1-CE2 3.62Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.47Å; V73-T95 CarbonylContact C-O 3.51Å; V73-T95 WeakPolarHBondContact CA-O 3.16Å
74	Y	98.3	Very high	91.2	Very high	7 Å²	7	51.5 Å²	51.5	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.6	178.5	-69.6	-97.1	0	0	0	109.7	V17 K18 I28 M61 L63 D70 A72 G94 T95 V97	V17-Y74 CarbonylContact O-C 3.47Å; V17-Y74 WeakPolarHBondContact O-CA 3.46Å; K18-Y74 HydrophobicContact CB-CD1 4.15Å; K18-Y74 HydrophobicContact CB-CE1 3.97Å; K18-Y74 HydrophobicContact CD-CE1 3.96Å; K18-Y74 WeakPolarHBondContact CE-OH 3.34Å; K18-Y74 HydrophobicContact CG-CD1 4.3Å; K18-Y74 HydrophobicContact CG-CE1 3.81Å; K18-Y74 HydrophobicContact CG-CE2 4.43Å; I28-Y74 HydrophobicContact CD1-CD1 3.72Å; I28-Y74 HydrophobicContact CD1-CE1 3.79Å; M61-Y74 HydrophobicContact CE-CD1 3.65Å; M61-Y74 HydrophobicContact CE-CE1 4.3Å; M61-Y74 HydrophobicContact CE-CG 4.36Å; L63-Y74 HydrophobicContact CD1-CD1 4.25Å; L63-Y74 HydrophobicContact CD1-CE1 3.74Å; D70-Y74 WeakPolarHBondContact O-CE2 3.46Å; D70-Y74 PolarHBondContact O-OH 3.23Å; A72-Y74 HydrophobicContact CB-CD2 4.31Å; A72-Y74 HydrophobicContact CB-CE2 3.78Å; A72-Y74 WeakPolarHBondContact O-CD2 3.39Å; Y74-G94 CarbonylContact O-C 3.58Å; Y74-G94 VanDerWaalsContact O-CA 3.25Å; Y74-G94 WeakPolarHBondContact O-CA 3.23Å; Y74-T95 PolarHBondContact N-O 3.14Å; Y74-T95 PolarHBondContact O-N 3.34Å; Y74-V97 HydrophobicContact CD2-CB 3.81Å; Y74-V97 HydrophobicContact CD2-CG2 3.62Å; Y74-V97 HydrophobicContact CE2-CB 3.69Å; Y74-V97 HydrophobicContact CE2-CG1 4.44Å; Y74-V97 HydrophobicContact CE2-CG2 3.96Å; Y74-V97 HydrophobicContact CG-CG2 4.48Å
75	Y	98.3	Very high	89.7	Confident	43 Å²	43	55.8 Å²	55.8	17%	0.169	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149.5	-178.2	-53.9	-91.6	0	0	0	110.4	W16 V17 Q19 L25 V73 W91	W16-Y75 WeakPolarHBondContact CA-O 3.32Å; V17-Y75 PolarHBondContact N-O 2.76Å; V17-Y75 PolarHBondContact O-N 2.74Å; Q19-Y75 HydrophobicContact CB-CE2 3.75Å; Q19-Y75 PolarHBondContact OE1-OH 2.82Å; L25-Y75 HydrophobicContact CD2-CE2 4.48Å; V73-Y75 HydrophobicContact CB-CE2 3.8Å; V73-Y75 HydrophobicContact CG1-CD1 4.4Å; V73-Y75 HydrophobicContact CG1-CD2 4.29Å; V73-Y75 HydrophobicContact CG1-CE1 3.73Å; V73-Y75 HydrophobicContact CG1-CE2 3.62Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.47Å; Y75-W91 HydrophobicContact CG-CE3 4.15Å; Y75-W91 HydrophobicContact CG-CZ3 4.3Å
76	C	97.4	Very high	88.6	Confident	15 Å²	15	62.9 Å²	62.9	10%	0.101	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	148.7	158.8	59	0	0	0	0	109.8	C2 M14 H15 W16 W91 G92	C2-C76 HydrophobicContact CB-CB 3.41Å; C2-C76 VanDerWaalsContact CB-CB 3.41Å; C2-C76 WeakPolarHBondContact CB-SG 3.41Å; C2-C76 WeakPolarHBondContact SG-CB 3.45Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 3.25Å; M14-C76 HydrophobicContact SD-CB 3.9Å; H15-C76 CarbonylContact O-C 3.43Å; H15-C76 WeakPolarHBondContact O-CA 3.32Å; W16-C76 HydrophobicContact CE3-CB 4.24Å; W16-C76 HydrophobicContact CH2-CB 4.34Å; W16-C76 HydrophobicContact CZ3-CB 4.13Å; C76-W91 WeakPolarHBondContact O-CA 3.19Å; C76-G92 PolarHBondContact O-N 3.06Å
77	A	96.2	Very high	87.7	Confident	2 Å²	2	66.5 Å²	66.5	2%	0.017	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.5	175.8	0	0	0	0	0	110.5	H15 F88 V90 W91	H15-A77 PolarHBondContact N-O 3.45Å; H15-A77 PolarHBondContact O-N 3.12Å; A77-F88 HydrophobicContact CB-CB 3.96Å; A77-F88 HydrophobicContact CB-CD1 3.7Å; A77-F88 HydrophobicContact CB-CD2 4.43Å; A77-F88 HydrophobicContact CB-CE1 4.37Å; A77-F88 HydrophobicContact CB-CG 3.76Å; A77-V90 VanDerWaalsContact CA-O 3.24Å; A77-V90 WeakPolarHBondContact CA-O 2.83Å; A77-W91 HydrophobicContact CB-CD2 3.78Å; A77-W91 HydrophobicContact CB-CE3 3.91Å; A77-W91 HydrophobicContact CB-CG 4.21Å; A77-W91 HydrophobicContact CB-CZ2 4.5Å; A77-W91 HydrophobicContact CB-CZ3 4.3Å
78	R	93.1	Very high	87.2	Confident	48 Å²	48	66 Å²	66	18%	0.181	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.5	-179.3	77.9	-177.5	-171.5	-160.1	0.1	113.2	Y7 Y12 W13 M14 D89 V90	Y7-R78 VanDerWaalsContact CG-NH1 3.35Å; Y12-R78 HydrophobicContact CD1-CB 4.14Å; Y12-R78 HydrophobicContact CD1-CG 3.88Å; Y12-R78 HydrophobicContact CE1-CG 4.38Å; Y12-R78 HydrophobicContact CG-CB 4.47Å; W13-R78 VanDerWaalsContact O-CA 3.32Å; W13-R78 WeakPolarHBondContact O-CA 3.33Å; M14-R78 HydrophobicContact CE-CB 4.42Å; R78-D89 PolarHBondContact O-N 3.15Å; R78-V90 HydrophobicContact CG-CB 4.12Å; R78-V90 PolarHBondContact N-O 3.15Å
79	I	91.9	Very high	86.4	Confident	25 Å²	25	65.5 Å²	65.5	13%	0.128	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.5	169.5	-60.8	-172.4	0	0	0	109.2	Y12 W13 F88	Y12-I79 CarbonylContact C-O 3.59Å; Y12-I79 WeakPolarHBondContact CA-O 3.27Å; Y12-I79 WeakPolarHBondContact CB-O 3.4Å; W13-I79 PolarHBondContact N-O 3.27Å; W13-I79 PolarHBondContact O-N 2.77Å; W13-I79 VanDerWaalsContact O-N 3.13Å; I79-F88 HydrophobicContact CD1-CD1 3.62Å; I79-F88 HydrophobicContact CD1-CE1 3.5Å; I79-F88 VanDerWaalsContact CD1-CE1 3.5Å; I79-F88 HydrophobicContact CD1-CZ 4.47Å; I79-F88 HydrophobicContact CG1-CD1 3.5Å; I79-F88 HydrophobicContact CG1-CE1 3.79Å
80	Y	90	Very high	86.2	Confident	110 Å²	110	62.2 Å²	62.2	43%	0.431	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.5	176.6	-179.3	-113.9	0	0	0	112.2	S11 Y12 G82 S83	S11-Y80 VanDerWaalsContact O-CD2 3.26Å; S11-Y80 WeakPolarHBondContact O-CD2 3.5Å; Y12-Y80 HydrophobicContact CD1-CD2 4.4Å; Y12-Y80 AromaticContact CE1-CD2 3.96Å; Y12-Y80 HydrophobicContact CE1-CD2 3.96Å; Y12-Y80 HydrophobicContact CE1-CG 4.25Å; Y12-Y80 HydrophobicContact CE2-CD2 4.13Å; Y12-Y80 AromaticContact CZ-CD2 3.8Å; Y80-G82 VanDerWaalsContact C-N 3.28Å; Y80-G82 VanDerWaalsContact CE1-CA 3.47Å; Y80-G82 PolarHBondContact O-N 3.49Å; Y80-S83 VanDerWaalsContact O-CB 3.31Å; Y80-S83 WeakPolarHBondContact O-CB 3.23Å; Y80-S83 PolarHBondContact O-N 3.39Å; Y80-S83 VanDerWaalsContact O-N 3.12Å
81	Y	82.9	Confident	86.3	Confident	81 Å²	81	66.7 Å²	66.7	32%	0.318	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-35.5	-178.4	-71.9	-66.2	0	0	0	114.5	T10 S11 Y12 W13 N32 P33 S83	T10-Y81 VanDerWaalsContact O-CE2 3.23Å; T10-Y81 WeakPolarHBondContact O-CE2 3.03Å; S11-Y81 WeakPolarHBondContact O-CD2 3.43Å; S11-Y81 PolarHBondContact O-N 2.81Å; Y12-Y81 VanDerWaalsContact N-CE2 3.27Å; Y12-Y81 PolarHBondContact O-OH 3.38Å; W13-Y81 AromaticContact CD1-CD1 3.53Å; W13-Y81 AromaticContact CD1-CE1 3.37Å; W13-Y81 AromaticContact CD2-CE1 3.89Å; W13-Y81 HydrophobicContact CD2-CE1 3.89Å; W13-Y81 AromaticContact CE2-CD1 4Å; W13-Y81 AromaticContact CE2-CE1 3.42Å; W13-Y81 VanDerWaalsContact CE2-CE1 3.42Å; W13-Y81 HydrophobicContact CG-CD1 4.42Å; W13-Y81 AromaticContact CG-CE1 3.86Å; W13-Y81 HydrophobicContact CG-CE1 3.86Å; W13-Y81 HydrophobicContact CZ2-CE1 4.03Å; W13-Y81 AromaticContact NE1-CD1 3.23Å; W13-Y81 AromaticContact NE1-CE1 3.11Å; N32-Y81 WeakPolarHBondContact CA-OH 3.33Å; N32-Y81 VanDerWaalsContact ND2-CE1 3.33Å; N32-Y81 WeakPolarHBondContact ND2-CE1 3.47Å; N32-Y81 PolarHBondContact ND2-OH 2.9Å; N32-Y81 PolarHBondContact OD1-OH 3.48Å; P33-Y81 WeakPolarHBondContact CD-OH 3.45Å; Y81-S83 VanDerWaalsContact C-N 3.3Å
82	G	75.3	Confident	86.2	Confident	60 Å²	60	66.5 Å²	66.5	62%	0.619	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	7.9	-178.3	0	0	0	0	0	113.9	Y80	Y80-G82 VanDerWaalsContact C-N 3.28Å; Y80-G82 VanDerWaalsContact CE1-CA 3.47Å; Y80-G82 PolarHBondContact O-N 3.49Å
83	S	72.7	Confident	86.1	Confident	35 Å²	35	73.1 Å²	73.1	25%	0.245	37%	0.365	C	S	.	.			trans	-75.4	129.1	178.3	-173.7	0	0	0	0	110.3	Y80 Y81 Y85	Y80-S83 VanDerWaalsContact O-CB 3.31Å; Y80-S83 WeakPolarHBondContact O-CB 3.23Å; Y80-S83 PolarHBondContact O-N 3.39Å; Y80-S83 VanDerWaalsContact O-N 3.12Å; Y81-S83 VanDerWaalsContact C-N 3.3Å; S83-Y85 WeakPolarHBondContact OG-CB 3.33Å; S83-Y85 PolarHBondContact OG-N 2.96Å; S83-Y85 PolarHBondContact OG-O 3.26Å
84	S	69.9	Low	86	Confident	97 Å²	97	72.5 Å²	72.5	68%	0.678	37%	0.367	S	S	*	.			trans	-80	-2.2	164.5	50.9	0	0	0	0	112.5
85	Y	64	Low	86	Confident	140 Å²	140	76.4 Å²	76.4	55%	0.549	39%	0.391	S	S	.	.			trans	-97.3	140.7	-178.3	-57	-77.1	0	0	0	112.1	S83 Y87	S83-Y85 WeakPolarHBondContact OG-CB 3.33Å; S83-Y85 PolarHBondContact OG-N 2.96Å; S83-Y85 PolarHBondContact OG-O 3.26Å; Y85-Y87 HydrophobicContact CD1-CD1 4.44Å; Y85-Y87 AromaticContact CD1-CE1 3.73Å; Y85-Y87 HydrophobicContact CD1-CE1 3.73Å; Y85-Y87 HydrophobicContact CD2-CE1 4.37Å; Y85-Y87 HydrophobicContact CG-CD1 4.32Å; Y85-Y87 AromaticContact CG-CE1 3.59Å; Y85-Y87 HydrophobicContact CG-CE1 3.59Å
86	W	68.6	Low	86	Confident	253 Å²	253	79 Å²	79	96%	0.958	41%	0.412	S	S	*	.			trans	-95.5	15.2	-176.6	-58.4	99	0	0	0	114.1
87	Y	75.1	Confident	85.9	Confident	129 Å²	129	80.3 Å²	80.3	51%	0.506	42%	0.419	S	S	.	.	S	Bend	trans	-105.4	156.4	-178.8	65	-101.7	0	0	0	112.3	Y85 D89	Y85-Y87 HydrophobicContact CD1-CD1 4.44Å; Y85-Y87 AromaticContact CD1-CE1 3.73Å; Y85-Y87 HydrophobicContact CD1-CE1 3.73Å; Y85-Y87 HydrophobicContact CD2-CE1 4.37Å; Y85-Y87 HydrophobicContact CG-CD1 4.32Å; Y85-Y87 AromaticContact CG-CE1 3.59Å; Y85-Y87 HydrophobicContact CG-CE1 3.59Å; Y87-D89 WeakPolarHBondContact CE2-OD1 3.24Å
88	F	82.8	Confident	86	Confident	54 Å²	54	85.5 Å²	85.5	24%	0.237	45%	0.451	C	S	.	.			trans	-79.8	116.3	176.1	-67.9	-55.6	0	0	0	110.8	H15 V17 A77 I79 W91	H15-F88 HydrophobicContact CB-CD1 4.34Å; H15-F88 HydrophobicContact CB-CE1 3.54Å; H15-F88 HydrophobicContact CB-CZ 3.94Å; H15-F88 AromaticContact CD2-CE1 3.66Å; H15-F88 AromaticContact CE1-CE1 3.77Å; H15-F88 AromaticContact CG-CE1 3.27Å; H15-F88 AromaticContact CG-CZ 3.88Å; H15-F88 AromaticContact ND1-CE1 3.35Å; H15-F88 WeakPolarHBondContact ND1-CE1 3.3Å; H15-F88 AromaticContact ND1-CZ 3.66Å; H15-F88 AromaticContact NE2-CE1 3.98Å; V17-F88 HydrophobicContact CG2-CE2 4.31Å; A77-F88 HydrophobicContact CB-CB 3.96Å; A77-F88 HydrophobicContact CB-CD1 3.7Å; A77-F88 HydrophobicContact CB-CD2 4.43Å; A77-F88 HydrophobicContact CB-CE1 4.37Å; A77-F88 HydrophobicContact CB-CG 3.76Å; I79-F88 HydrophobicContact CD1-CD1 3.62Å; I79-F88 HydrophobicContact CD1-CE1 3.5Å; I79-F88 VanDerWaalsContact CD1-CE1 3.5Å; I79-F88 HydrophobicContact CD1-CZ 4.47Å; I79-F88 HydrophobicContact CG1-CD1 3.5Å; I79-F88 HydrophobicContact CG1-CE1 3.79Å; F88-W91 HydrophobicContact CB-CZ2 3.9Å; F88-W91 VanDerWaalsContact CB-NE1 3.32Å; F88-W91 AromaticContact CD2-CE2 3.97Å; F88-W91 AromaticContact CD2-CH2 3.82Å; F88-W91 HydrophobicContact CD2-CH2 3.82Å; F88-W91 AromaticContact CD2-CZ2 3.28Å; F88-W91 HydrophobicContact CD2-CZ2 3.28Å; F88-W91 HydrophobicContact CE2-CH2 4.21Å; F88-W91 HydrophobicContact CE2-CZ2 4.1Å; F88-W91 AromaticContact CG-CZ2 3.87Å; F88-W91 HydrophobicContact CG-CZ2 3.87Å
89	D	78.6	Confident	86.1	Confident	63 Å²	63	84.7 Å²	84.7	34%	0.337	45%	0.451	S	S	.	.	S	Bend	trans	-72	-37.9	-174.4	-61.7	-46.5	0	0	0	112.6	R78 Y87	R78-D89 PolarHBondContact O-N 3.15Å; Y87-D89 WeakPolarHBondContact CE2-OD1 3.24Å
90	V	88.7	Confident	86.1	Confident	65 Å²	65	88.5 Å²	88.5	39%	0.394	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	138.2	-177.1	178.3	0	0	0	0	109.8	A77 R78	A77-V90 VanDerWaalsContact CA-O 3.24Å; A77-V90 WeakPolarHBondContact CA-O 2.83Å; R78-V90 HydrophobicContact CG-CB 4.12Å; R78-V90 PolarHBondContact N-O 3.15Å
91	W	95.1	Very high	85.6	Confident	97 Å²	97	91.8 Å²	91.8	37%	0.367	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.1	177	-67.6	76.3	0	0	0	110.9	V17 L25 Y75 C76 A77 F88	V17-W91 HydrophobicContact CB-CH2 4.08Å; V17-W91 HydrophobicContact CB-CZ3 3.75Å; V17-W91 HydrophobicContact CG1-CH2 4Å; V17-W91 HydrophobicContact CG1-CZ3 3.97Å; V17-W91 HydrophobicContact CG2-CH2 3.78Å; V17-W91 HydrophobicContact CG2-CZ3 3.79Å; L25-W91 HydrophobicContact CD1-CH2 3.81Å; L25-W91 HydrophobicContact CD1-CZ2 4.22Å; Y75-W91 HydrophobicContact CG-CE3 4.15Å; Y75-W91 HydrophobicContact CG-CZ3 4.3Å; C76-W91 WeakPolarHBondContact O-CA 3.19Å; A77-W91 HydrophobicContact CB-CD2 3.78Å; A77-W91 HydrophobicContact CB-CE3 3.91Å; A77-W91 HydrophobicContact CB-CG 4.21Å; A77-W91 HydrophobicContact CB-CZ2 4.5Å; A77-W91 HydrophobicContact CB-CZ3 4.3Å; F88-W91 HydrophobicContact CB-CZ2 3.9Å; F88-W91 VanDerWaalsContact CB-NE1 3.32Å; F88-W91 AromaticContact CD2-CE2 3.97Å; F88-W91 AromaticContact CD2-CH2 3.82Å; F88-W91 HydrophobicContact CD2-CH2 3.82Å; F88-W91 AromaticContact CD2-CZ2 3.28Å; F88-W91 HydrophobicContact CD2-CZ2 3.28Å; F88-W91 HydrophobicContact CE2-CH2 4.21Å; F88-W91 HydrophobicContact CE2-CZ2 4.1Å; F88-W91 AromaticContact CG-CZ2 3.87Å; F88-W91 HydrophobicContact CG-CZ2 3.87Å
92	G	95.1	Very high	85.8	Confident	29 Å²	29	92.3 Å²	92.3	30%	0.299	53%	0.529	S	S	.	.			trans	-68.8	162.2	161.9	0	0	0	0	0	110.9	C76 G94	C76-G92 PolarHBondContact O-N 3.06Å; G92-G94 PolarHBondContact O-N 2.59Å
93	T	95.4	Very high	86.3	Confident	145 Å²	145	94 Å²	94	89%	0.89	52%	0.524	S	S	*	.			trans	-64	-13.6	-178.8	54.4	0	0	0	0	114.2
94	G	96.8	Very high	87.1	Confident	24 Å²	24	97.3 Å²	97.3	25%	0.247	54%	0.54	C	S	.	.			trans	84.1	156.4	-173.5	0	0	0	0	0	112.5	Y74 G92	Y74-G94 CarbonylContact O-C 3.58Å; Y74-G94 VanDerWaalsContact O-CA 3.25Å; Y74-G94 WeakPolarHBondContact O-CA 3.23Å; G92-G94 PolarHBondContact O-N 2.59Å
95	T	97.8	Very high	88.1	Confident	89 Å²	89	97.3 Å²	97.3	55%	0.546	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.9	171.5	-168.4	0	0	0	0	110	V73 Y74	V73-T95 CarbonylContact C-O 3.51Å; V73-T95 WeakPolarHBondContact CA-O 3.16Å; Y74-T95 PolarHBondContact N-O 3.14Å; Y74-T95 PolarHBondContact O-N 3.34Å
96	T	97.9	Very high	89.6	Confident	99 Å²	99	94.6 Å²	94.6	61%	0.607	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	127	177.4	-59.4	0	0	0	0	109.1
97	V	96.9	Very high	91	Very high	41 Å²	41	84.1 Å²	84.1	25%	0.248	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.9	167.9	179.2	0	0	0	0	107.1	L66 S71 A72 Y74 V99	L66-V97 HydrophobicContact CD1-CG1 4.4Å; S71-V97 VanDerWaalsContact CA-O 3.27Å; S71-V97 WeakPolarHBondContact CA-O 3.27Å; A72-V97 PolarHBondContact N-O 3.49Å; A72-V97 PolarHBondContact O-N 2.69Å; Y74-V97 HydrophobicContact CD2-CB 3.81Å; Y74-V97 HydrophobicContact CD2-CG2 3.62Å; Y74-V97 HydrophobicContact CE2-CB 3.69Å; Y74-V97 HydrophobicContact CE2-CG1 4.44Å; Y74-V97 HydrophobicContact CE2-CG2 3.96Å; Y74-V97 HydrophobicContact CG-CG2 4.48Å; V97-V99 HydrophobicContact CG1-CG2 4.23Å
98	T	96.8	Very high	92.2	Very high	112 Å²	112	80.9 Å²	80.9	69%	0.687	50%	0.502	S	S	*	.			trans	-117.2	130.4	176.7	-55.9	0	0	0	0	108.6
99	V	95.4	Very high	92.9	Very high	31 Å²	31	82.9 Å²	82.9	19%	0.188	52%	0.522	C	S	.	.			trans	-123	116.2	178.8	-174.2	0	0	0	0	107.1	L66 T67 S68 S71 V97	L66-V99 HydrophobicContact CB-CG1 4.31Å; L66-V99 HydrophobicContact CB-CG2 3.97Å; L66-V99 HydrophobicContact CD1-CG2 4.02Å; T67-V99 WeakPolarHBondContact O-CB 3.11Å; T67-V99 WeakPolarHBondContact O-CG1 3.4Å; S68-V99 WeakPolarHBondContact CA-O 3.42Å; S71-V99 PolarHBondContact OG-N 2.64Å; S71-V99 PolarHBondContact OG-O 2.92Å; V97-V99 HydrophobicContact CG1-CG2 4.23Å
100	S	91.8	Very high	94.1	Very high	105 Å²	105	84.6 Å²	84.6	73%	0.734	54%	0.538	S	S	*	.			trans	-101.9	148.3	173.1	54.5	0	0	0	0	110
101	S	81	Confident	94.6	Very high	178 Å²	178	86.4 Å²	86.4	100%	1.245	55%	0.551	S	S	*	*			trans	-70.3	0	169.4	55.4	0	0	0	0	112.3

Retrieved 101 of 101 residues in 20.8 ms (Link to these results)

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