X5J4X2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4X2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 102 aa.

						>X5J4X2_MOUSE|X5J4X2
SCKATGYTFTGYWIEWVKQRPGHGLEWIGEILPGSGSTNYNEKFKGKATFTADTSSNTACMQLSSLTTEDSAIYYCARSPYGSSPGVYFDYWGQGTTLTVSS
					

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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	96.2	Very high	94.3	Very high	115 Å²	115	65.7 Å²	65.7	80%	0.804	42%	0.424	S	S	*	.				0	164.4	0	51.7	0	0	0	0	109.1	A59 C60	S1-A59 CarbonylContact C-O 3.55Å; S1-A59 VanDerWaalsContact CA-O 3.26Å; S1-A59 WeakPolarHBondContact CA-O 3.32Å; S1-C60 VanDerWaalsContact CB-SG 3.51Å
2	C	97	Very high	94.3	Very high	17 Å²	17	65.1 Å²	65.1	12%	0.115	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	115.6	179.6	-176.8	0	0	0	0	108.2	W16 T58 A59 C76	C2-W16 HydrophobicContact CB-CH2 3.65Å; C2-W16 HydrophobicContact CB-CZ2 4.2Å; C2-W16 HydrophobicContact CB-CZ3 4.34Å; C2-T58 WeakPolarHBondContact O-CA 3.25Å; C2-A59 PolarHBondContact N-O 3.21Å; C2-A59 PolarHBondContact O-N 2.86Å; C2-C76 HydrophobicContact CB-CB 3.43Å; C2-C76 VanDerWaalsContact CB-CB 3.43Å; C2-C76 WeakPolarHBondContact CB-SG 3.26Å; C2-C76 WeakPolarHBondContact SG-CB 3.47Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 2.98Å
3	K	96.8	Very high	94.3	Very high	150 Å²	150	62.5 Å²	62.5	65%	0.652	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.4	-180	-175.1	175	-177.3	176.7	0	109.9
4	A	93.8	Very high	94.4	Very high	7 Å²	7	58.1 Å²	58.1	6%	0.058	36%	0.358	C	S	.	.			trans	-85.6	138.3	178.5	0	0	0	0	0	111.8	Y7 F9 N57	A4-Y7 HydrophobicContact CB-CD1 4.36Å; A4-Y7 HydrophobicContact CB-CE1 3.49Å; A4-Y7 VanDerWaalsContact CB-CE1 3.49Å; A4-Y7 HydrophobicContact CB-CE2 4.11Å; A4-Y7 VanDerWaalsContact CB-OH 3.23Å; A4-Y7 WeakPolarHBondContact CB-OH 3.33Å; A4-F9 HydrophobicContact CB-CB 4.12Å; A4-F9 HydrophobicContact CB-CD2 3.28Å; A4-F9 HydrophobicContact CB-CE2 3.91Å; A4-F9 HydrophobicContact CB-CG 3.99Å; A4-N57 HydrophobicContact CB-CB 4.25Å; A4-N57 PolarHBondContact N-O 2.84Å
5	T	92.1	Very high	94.5	Very high	111 Å²	111	54.2 Å²	54.2	68%	0.681	33%	0.334	S	S	*	.			trans	-139.8	140.1	176	55.5	0	0	0	0	110.3	Y7	T5-Y7 VanDerWaalsContact O-CD1 3.28Å; T5-Y7 WeakPolarHBondContact O-CD1 3.26Å
6	G	91.2	Very high	94.7	Very high	90 Å²	90	51.6 Å²	51.6	93%	0.928	32%	0.316	S	S	*	.	S	Bend	trans	79.2	19.2	174.7	0	0	0	0	0	116.1
7	Y	90.3	Very high	94.9	Very high	47 Å²	47	48.7 Å²	48.7	18%	0.184	30%	0.299	C	S	.	.	S	Bend	trans	-158.5	166.3	173.7	65.7	-78.2	0	0	0	112.4	A4 T5 F9 Y12	A4-Y7 HydrophobicContact CB-CD1 4.36Å; A4-Y7 HydrophobicContact CB-CE1 3.49Å; A4-Y7 VanDerWaalsContact CB-CE1 3.49Å; A4-Y7 HydrophobicContact CB-CE2 4.11Å; A4-Y7 VanDerWaalsContact CB-OH 3.23Å; A4-Y7 WeakPolarHBondContact CB-OH 3.33Å; T5-Y7 VanDerWaalsContact O-CD1 3.28Å; T5-Y7 WeakPolarHBondContact O-CD1 3.26Å; Y7-F9 HydrophobicContact CE2-CD2 4.47Å; Y7-F9 PolarHBondContact O-N 3.34Å; Y7-Y12 AromaticContact CD2-CD2 3.44Å; Y7-Y12 HydrophobicContact CD2-CD2 3.44Å; Y7-Y12 VanDerWaalsContact CD2-CD2 3.44Å; Y7-Y12 AromaticContact CD2-CE2 3.79Å; Y7-Y12 HydrophobicContact CD2-CE2 3.79Å; Y7-Y12 AromaticContact CD2-CG 3.88Å; Y7-Y12 HydrophobicContact CD2-CG 3.88Å; Y7-Y12 AromaticContact CE2-CD2 3.92Å; Y7-Y12 HydrophobicContact CE2-CD2 3.92Å; Y7-Y12 AromaticContact CE2-CG 3.92Å; Y7-Y12 HydrophobicContact CE2-CG 3.92Å
8	T	94.3	Very high	94.9	Very high	99 Å²	99	46.3 Å²	46.3	61%	0.607	28%	0.283	S	S	*	.			trans	-73.7	90	175.5	-51.9	0	0	0	0	110.4	T10 G11 Y12	T8-T10 PolarHBondContact O-N 3.42Å; T8-T10 VanDerWaalsContact O-N 3.09Å; T8-G11 PolarHBondContact O-N 2.94Å; T8-Y12 WeakPolarHBondContact O-CD2 3.26Å
9	F	95.3	Very high	95.1	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.013	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-49.4	-37.7	-174.7	178.5	-120.3	0	0	0	114.8	A4 Y7 G11 Y12 I14 P33 A52 N57 A59	A4-F9 HydrophobicContact CB-CB 4.12Å; A4-F9 HydrophobicContact CB-CD2 3.28Å; A4-F9 HydrophobicContact CB-CE2 3.91Å; A4-F9 HydrophobicContact CB-CG 3.99Å; Y7-F9 HydrophobicContact CE2-CD2 4.47Å; Y7-F9 PolarHBondContact O-N 3.34Å; F9-G11 PolarHBondContact O-N 2.94Å; F9-Y12 PolarHBondContact O-N 2.81Å; F9-I14 HydrophobicContact CD2-CD1 3.98Å; F9-I14 HydrophobicContact CD2-CG1 4.32Å; F9-I14 HydrophobicContact CE2-CD1 3.65Å; F9-I14 HydrophobicContact CE2-CG1 3.6Å; F9-I14 HydrophobicContact CZ-CG1 4.26Å; F9-P33 HydrophobicContact CD1-CB 3.69Å; F9-P33 HydrophobicContact CD1-CG 3.93Å; F9-P33 HydrophobicContact CD2-CG 4.11Å; F9-P33 HydrophobicContact CE1-CB 3.39Å; F9-P33 HydrophobicContact CE1-CG 3.52Å; F9-P33 HydrophobicContact CE2-CG 3.73Å; F9-P33 HydrophobicContact CG-CB 4.38Å; F9-P33 HydrophobicContact CG-CG 4.22Å; F9-P33 HydrophobicContact CZ-CB 3.85Å; F9-P33 HydrophobicContact CZ-CG 3.4Å; F9-P33 VanDerWaalsContact CZ-CG 3.4Å; F9-A52 HydrophobicContact CE1-CB 4.3Å; F9-A52 HydrophobicContact CZ-CB 4.35Å; F9-N57 HydrophobicContact CB-CB 3.96Å; F9-N57 VanDerWaalsContact CB-OD1 3.31Å; F9-N57 WeakPolarHBondContact CB-OD1 3.42Å; F9-N57 HydrophobicContact CD1-CB 4.06Å; F9-N57 HydrophobicContact CG-CB 3.97Å; F9-A59 HydrophobicContact CE2-CB 4.3Å; F9-A59 HydrophobicContact CZ-CB 3.96Å
10	T	96.1	Very high	95.1	Very high	59 Å²	59	47.8 Å²	47.8	36%	0.362	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-69.4	-18.1	-179.7	50.4	0	0	0	0	114.5	T8 G34 T54	T8-T10 PolarHBondContact O-N 3.42Å; T8-T10 VanDerWaalsContact O-N 3.09Å; T10-G34 WeakPolarHBondContact O-CA 3.49Å; T10-G34 PolarHBondContact O-N 3.23Å; T10-T54 HydrophobicContact CG2-CG2 3.66Å
11	G	93.9	Very high	94.9	Very high	25 Å²	25	51 Å²	51	26%	0.258	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-97.2	13	-178.8	0	0	0	0	0	114.6	T8 F9 Y81	T8-G11 PolarHBondContact O-N 2.94Å; F9-G11 PolarHBondContact O-N 2.94Å; G11-Y81 WeakPolarHBondContact O-CB 3.43Å; G11-Y81 PolarHBondContact O-N 3.18Å
12	Y	94.1	Very high	94.7	Very high	58 Å²	58	49.8 Å²	49.8	23%	0.227	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.6	-179.4	-72.3	-102.1	0	0	0	110.2	Y7 T8 F9 P33 R78 S79 P80	Y7-Y12 AromaticContact CD2-CD2 3.44Å; Y7-Y12 HydrophobicContact CD2-CD2 3.44Å; Y7-Y12 VanDerWaalsContact CD2-CD2 3.44Å; Y7-Y12 AromaticContact CD2-CE2 3.79Å; Y7-Y12 HydrophobicContact CD2-CE2 3.79Å; Y7-Y12 AromaticContact CD2-CG 3.88Å; Y7-Y12 HydrophobicContact CD2-CG 3.88Å; Y7-Y12 AromaticContact CE2-CD2 3.92Å; Y7-Y12 HydrophobicContact CE2-CD2 3.92Å; Y7-Y12 AromaticContact CE2-CG 3.92Å; Y7-Y12 HydrophobicContact CE2-CG 3.92Å; T8-Y12 WeakPolarHBondContact O-CD2 3.26Å; F9-Y12 PolarHBondContact O-N 2.81Å; Y12-P33 WeakPolarHBondContact O-CD 3.36Å; Y12-R78 HydrophobicContact CD1-CB 4.39Å; Y12-R78 HydrophobicContact CD1-CG 4.14Å; Y12-S79 CarbonylContact C-O 3.46Å; Y12-S79 VanDerWaalsContact CA-O 3.28Å; Y12-S79 WeakPolarHBondContact CA-O 3.48Å; Y12-S79 WeakPolarHBondContact CB-O 3.46Å; Y12-S79 WeakPolarHBondContact CD1-O 3.46Å; Y12-P80 HydrophobicContact CD1-CB 4.43Å; Y12-P80 HydrophobicContact CD1-CG 4.4Å; Y12-P80 HydrophobicContact CE1-CB 4.17Å; Y12-P80 HydrophobicContact CE1-CG 3.96Å
13	W	94.9	Very high	94.5	Very high	32 Å²	32	54.6 Å²	54.6	12%	0.121	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	139	163.8	-66.4	98.7	0	0	0	109.3	E30 L32 S37 R78 S79	W13-E30 HydrophobicContact CD2-CG 4.34Å; W13-E30 HydrophobicContact CE3-CB 4.03Å; W13-E30 HydrophobicContact CE3-CG 3.54Å; W13-E30 HydrophobicContact CZ3-CG 3.88Å; W13-L32 HydrophobicContact CD2-CB 3.83Å; W13-L32 HydrophobicContact CD2-CD1 4.3Å; W13-L32 HydrophobicContact CE3-CB 3.54Å; W13-L32 VanDerWaalsContact CE3-N 3.3Å; W13-L32 HydrophobicContact CG-CD1 4.41Å; W13-L32 HydrophobicContact CH2-CB 3.67Å; W13-L32 HydrophobicContact CH2-CD2 4.36Å; W13-L32 HydrophobicContact CZ2-CB 3.95Å; W13-L32 HydrophobicContact CZ2-CD2 4Å; W13-L32 HydrophobicContact CZ2-CG 4.49Å; W13-L32 HydrophobicContact CZ3-CB 3.47Å; W13-L32 VanDerWaalsContact CZ3-CB 3.47Å; W13-S37 WeakPolarHBondContact CZ3-O 3.4Å; W13-R78 VanDerWaalsContact O-CA 3.22Å; W13-R78 WeakPolarHBondContact O-CA 3.44Å; W13-S79 WeakPolarHBondContact CB-OG 3.22Å; W13-S79 PolarHBondContact N-O 2.86Å; W13-S79 PolarHBondContact O-N 2.8Å; W13-S79 VanDerWaalsContact O-N 3.13Å
14	I	96.3	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.6	170.6	-51.1	-60.8	0	0	0	107.9	F9 E30 I31 P33 A59 C76 R78	F9-I14 HydrophobicContact CD2-CD1 3.98Å; F9-I14 HydrophobicContact CD2-CG1 4.32Å; F9-I14 HydrophobicContact CE2-CD1 3.65Å; F9-I14 HydrophobicContact CE2-CG1 3.6Å; F9-I14 HydrophobicContact CZ-CG1 4.26Å; I14-E30 CarbonylContact O-C 3.59Å; I14-E30 WeakPolarHBondContact O-CA 3.37Å; I14-I31 HydrophobicContact CB-CG2 4.1Å; I14-I31 PolarHBondContact N-O 3.06Å; I14-I31 PolarHBondContact O-N 2.94Å; I14-P33 HydrophobicContact CG1-CG 3.88Å; I14-A59 HydrophobicContact CB-CB 4.02Å; I14-A59 HydrophobicContact CG1-CB 4.07Å; I14-A59 HydrophobicContact CG2-CB 3.7Å; I14-C76 HydrophobicContact CG2-CB 4.38Å; I14-R78 HydrophobicContact CD1-CB 4.37Å
15	E	96	Very high	94.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.7	-168.3	-57.1	-86.1	-164	0	0	108.2	W27 E30 C76 A77 S79 F89	E15-W27 PolarHBondContact OE2-NE1 3.03Å; E15-E30 VanDerWaalsContact OE1-OE2 3.06Å; E15-E30 WeakPolarHBondContact OE2-CB 3.27Å; E15-C76 CarbonylContact O-C 3.42Å; E15-C76 WeakPolarHBondContact O-CA 3.09Å; E15-A77 HydrophobicContact CB-CB 4.09Å; E15-A77 PolarHBondContact N-O 2.98Å; E15-A77 PolarHBondContact O-N 3.31Å; E15-S79 PolarHBondContact OE1-OG 2.83Å; E15-F89 HydrophobicContact CB-CD1 4.31Å; E15-F89 HydrophobicContact CB-CE1 3.88Å; E15-F89 HydrophobicContact CB-CZ 4.28Å; E15-F89 HydrophobicContact CG-CD1 3.76Å; E15-F89 HydrophobicContact CG-CE1 3.41Å; E15-F89 VanDerWaalsContact CG-CE1 3.41Å; E15-F89 HydrophobicContact CG-CZ 4.26Å; E15-F89 WeakPolarHBondContact OE1-CE1 3.42Å
16	W	97.4	Very high	94.5	Very high	12 Å²	12	50.9 Å²	50.9	5%	0.045	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.3	175.7	-65.2	100.8	0	0	0	109.9	C2 I28 G29 F50 A59 M61 C76	C2-W16 HydrophobicContact CB-CH2 3.65Å; C2-W16 HydrophobicContact CB-CZ2 4.2Å; C2-W16 HydrophobicContact CB-CZ3 4.34Å; W16-I28 HydrophobicContact CB-CB 4.08Å; W16-I28 HydrophobicContact CB-CD1 4.29Å; W16-I28 WeakPolarHBondContact O-CB 3.01Å; W16-I28 PolarHBondContact O-N 2.79Å; W16-G29 PolarHBondContact N-O 2.87Å; W16-F50 HydrophobicContact CB-CE1 4.23Å; W16-F50 AromaticContact CD1-CD1 3.5Å; W16-F50 VanDerWaalsContact CD1-CD1 3.5Å; W16-F50 AromaticContact CD1-CE1 3.49Å; W16-F50 VanDerWaalsContact CD1-CE1 3.49Å; W16-F50 HydrophobicContact CG-CD1 4.31Å; W16-F50 AromaticContact CG-CE1 3.98Å; W16-F50 HydrophobicContact CG-CE1 3.98Å; W16-F50 AromaticContact NE1-CD1 3.76Å; W16-A59 HydrophobicContact CZ2-CB 4.14Å; W16-M61 HydrophobicContact CB-SD 3.91Å; W16-M61 HydrophobicContact CD2-CB 3.64Å; W16-M61 HydrophobicContact CD2-CE 4.44Å; W16-M61 HydrophobicContact CD2-CG 4.46Å; W16-M61 HydrophobicContact CD2-SD 4.16Å; W16-M61 HydrophobicContact CE3-CB 4Å; W16-M61 HydrophobicContact CE3-CE 4.06Å; W16-M61 HydrophobicContact CE3-SD 4.37Å; W16-M61 HydrophobicContact CG-CB 4.08Å; W16-M61 HydrophobicContact CG-SD 3.96Å; W16-M61 HydrophobicContact CH2-CB 4.22Å; W16-M61 HydrophobicContact CZ2-CB 3.88Å; W16-M61 HydrophobicContact CZ3-CB 4.27Å; W16-C76 HydrophobicContact CE3-CB 4.13Å; W16-C76 HydrophobicContact CH2-CB 4.24Å; W16-C76 HydrophobicContact CZ3-CB 3.9Å
17	V	96.9	Very high	94.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139	-176.3	-175.5	0	0	0	0	109	L25 E26 Y74 Y75 F89 W92	V17-L25 HydrophobicContact CG1-CB 3.85Å; V17-L25 HydrophobicContact CG1-CD2 3.81Å; V17-L25 HydrophobicContact CG1-CG 4.37Å; V17-E26 WeakPolarHBondContact CA-O 3.38Å; V17-E26 WeakPolarHBondContact CG1-O 3.48Å; V17-Y74 CarbonylContact O-C 3.46Å; V17-Y74 WeakPolarHBondContact O-CA 3.31Å; V17-Y75 PolarHBondContact N-O 2.99Å; V17-Y75 PolarHBondContact O-N 3.11Å; V17-F89 HydrophobicContact CG2-CE2 4.39Å; V17-W92 HydrophobicContact CB-CH2 4.07Å; V17-W92 HydrophobicContact CB-CZ3 3.82Å; V17-W92 HydrophobicContact CG1-CH2 3.99Å; V17-W92 HydrophobicContact CG1-CZ3 4.05Å; V17-W92 HydrophobicContact CG2-CH2 3.83Å; V17-W92 HydrophobicContact CG2-CZ3 3.9Å
18	K	96.3	Very high	95	Very high	6 Å²	6	48 Å²	48	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	152.4	169.5	73	178.4	-158.3	-166.5	0	111.7	R20 E26 I28 F44 A72 I73 Y74	K18-R20 VanDerWaalsContact NZ-NH2 3.19Å; K18-E26 VanDerWaalsContact CE-CD 3.43Å; K18-E26 WeakPolarHBondContact CE-OE1 3.41Å; K18-E26 VanDerWaalsContact CE-OE2 3.26Å; K18-E26 WeakPolarHBondContact CE-OE2 3.39Å; K18-E26 HydrophobicContact CG-CB 3.77Å; K18-E26 PolarHBondContact N-O 3.24Å; K18-E26 IonicContact NZ-OE2 3.73Å; K18-E26 PolarHBondContact O-N 2.77Å; K18-I28 HydrophobicContact CB-CD1 4.09Å; K18-I28 HydrophobicContact CB-CG1 4.47Å; K18-I28 HydrophobicContact CG-CG1 4.45Å; K18-F44 HydrophobicContact CD-CE1 3.66Å; K18-F44 HydrophobicContact CD-CZ 3.59Å; K18-F44 VanDerWaalsContact CE-CZ 3.42Å; K18-F44 HydrophobicContact CG-CZ 4.16Å; K18-A72 HydrophobicContact CB-CB 4.26Å; K18-I73 CarbonylContact C-O 3.51Å; K18-I73 WeakPolarHBondContact CA-O 3.38Å; K18-Y74 HydrophobicContact CB-CD1 3.81Å; K18-Y74 HydrophobicContact CB-CE1 3.72Å; K18-Y74 HydrophobicContact CB-CG 4.42Å; K18-Y74 HydrophobicContact CD-CE1 4.36Å
19	Q	97.3	Very high	95.1	Very high	65 Å²	65	43.2 Å²	43.2	30%	0.304	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	117.4	172.8	-168.7	-178.9	23.1	0	0	109.8	L25 A72 I73 Y75	Q19-L25 HydrophobicContact CB-CD2 3.98Å; Q19-L25 HydrophobicContact CG-CD2 4.22Å; Q19-A72 WeakPolarHBondContact O-CA 3.46Å; Q19-A72 WeakPolarHBondContact O-CB 3.45Å; Q19-I73 PolarHBondContact N-O 2.95Å; Q19-I73 PolarHBondContact O-N 2.96Å; Q19-Y75 HydrophobicContact CB-CE2 3.77Å; Q19-Y75 PolarHBondContact OE1-OH 2.82Å
20	R	95.2	Very high	95.1	Very high	57 Å²	57	43.2 Å²	43.2	22%	0.215	25%	0.254	C	S	.	.			trans	-84.1	148.6	171.6	-61.5	-178.2	179.1	130.5	-23.5	110.2	K18 G22 H23 E26 E69 A72	K18-R20 VanDerWaalsContact NZ-NH2 3.19Å; R20-G22 PolarHBondContact O-N 2.81Å; R20-H23 HydrophobicContact CB-CB 4.02Å; R20-H23 PolarHBondContact O-N 3.13Å; R20-E26 IonicContact CZ-OE1 3.62Å; R20-E26 IonicContact NE-OE1 3.98Å; R20-E26 IonicContact NH1-OE1 2.77Å; R20-E26 PolarHBondContact NH1-OE1 3.02Å; R20-E26 IonicContact NH1-OE2 3.58Å; R20-E69 PolarHBondContact NE-O 2.9Å; R20-E69 PolarHBondContact NH2-O 2.85Å; R20-A72 HydrophobicContact CG-CB 4.16Å
21	P	90.8	Very high	95.2	Very high	115 Å²	115	40.6 Å²	40.6	75%	0.747	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	124.4	173.3	-24.8	34.3	0	0	0	111.1	H23	P21-H23 VanDerWaalsContact C-N 3.3Å; P21-H23 PolarHBondContact O-CD2 2.82Å; P21-H23 PolarHBondContact O-N 3.46Å
22	G	92.4	Very high	95.3	Very high	90 Å²	90	39.7 Å²	39.7	93%	0.928	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	3.1	-178.9	0	0	0	0	0	115.8	R20	R20-G22 PolarHBondContact O-N 2.81Å
23	H	93.1	Very high	95.4	Very high	117 Å²	117	37.4 Å²	37.4	54%	0.542	22%	0.22	S	C	.	.	S	Bend	trans	-116.9	162.5	176	-63.8	-97	0	0	0	112	R20 P21	R20-H23 HydrophobicContact CB-CB 4.02Å; R20-H23 PolarHBondContact O-N 3.13Å; P21-H23 VanDerWaalsContact C-N 3.3Å; P21-H23 PolarHBondContact O-CD2 2.82Å; P21-H23 PolarHBondContact O-N 3.46Å
24	G	93.3	Very high	95.5	Very high	55 Å²	55	38.3 Å²	38.3	57%	0.567	24%	0.239	S	C	*	.			trans	-69.6	176.7	173.1	0	0	0	0	0	113.4
25	L	94.7	Very high	95.4	Very high	97 Å²	97	41.8 Å²	41.8	51%	0.508	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.5	173.4	-66.9	166.8	0	0	0	110.2	V17 Q19 Y75 W92	V17-L25 HydrophobicContact CG1-CB 3.85Å; V17-L25 HydrophobicContact CG1-CD2 3.81Å; V17-L25 HydrophobicContact CG1-CG 4.37Å; Q19-L25 HydrophobicContact CB-CD2 3.98Å; Q19-L25 HydrophobicContact CG-CD2 4.22Å; L25-Y75 HydrophobicContact CD2-CD2 4.44Å; L25-Y75 HydrophobicContact CD2-CE2 4.35Å; L25-W92 HydrophobicContact CD1-CH2 3.83Å; L25-W92 HydrophobicContact CD1-CZ2 4.22Å; L25-W92 HydrophobicContact CD2-CH2 4.29Å; L25-W92 HydrophobicContact CD2-CZ3 4.39Å
26	E	95.5	Very high	95.4	Very high	38 Å²	38	44 Å²	44	18%	0.178	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	111.6	175.5	-68.3	-179.9	-118.6	0	0	109.1	V17 K18 R20 I28	V17-E26 WeakPolarHBondContact CA-O 3.38Å; V17-E26 WeakPolarHBondContact CG1-O 3.48Å; K18-E26 VanDerWaalsContact CE-CD 3.43Å; K18-E26 WeakPolarHBondContact CE-OE1 3.41Å; K18-E26 VanDerWaalsContact CE-OE2 3.26Å; K18-E26 WeakPolarHBondContact CE-OE2 3.39Å; K18-E26 HydrophobicContact CG-CB 3.77Å; K18-E26 PolarHBondContact N-O 3.24Å; K18-E26 IonicContact NZ-OE2 3.73Å; K18-E26 PolarHBondContact O-N 2.77Å; R20-E26 IonicContact CZ-OE1 3.62Å; R20-E26 IonicContact NE-OE1 3.98Å; R20-E26 IonicContact NH1-OE1 2.77Å; R20-E26 PolarHBondContact NH1-OE1 3.02Å; R20-E26 IonicContact NH1-OE2 3.58Å; E26-I28 PolarHBondContact O-N 3.01Å
27	W	95.3	Very high	95.3	Very high	76 Å²	76	46.1 Å²	46.1	29%	0.288	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	128.6	174.7	-177.4	78.3	0	0	0	110.8	E15 G29 E30 N39 N41	E15-W27 PolarHBondContact OE2-NE1 3.03Å; W27-G29 VanDerWaalsContact CZ2-CA 3.4Å; W27-E30 HydrophobicContact CZ2-CB 4.11Å; W27-E30 HydrophobicContact CZ2-CG 3.88Å; W27-N39 HydrophobicContact CH2-CB 4.17Å; W27-N41 HydrophobicContact CE3-CB 3.73Å; W27-N41 HydrophobicContact CZ3-CB 3.94Å; W27-N41 VanDerWaalsContact O-CB 3.27Å; W27-N41 WeakPolarHBondContact O-CB 3.49Å; W27-N41 PolarHBondContact O-ND2 2.9Å
28	I	96.8	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-43.1	-177.8	-55.1	177.2	0	0	0	110.1	W16 K18 E26 N41 F44 A48 F50 M61 Y74	W16-I28 HydrophobicContact CB-CB 4.08Å; W16-I28 HydrophobicContact CB-CD1 4.29Å; W16-I28 WeakPolarHBondContact O-CB 3.01Å; W16-I28 PolarHBondContact O-N 2.79Å; K18-I28 HydrophobicContact CB-CD1 4.09Å; K18-I28 HydrophobicContact CB-CG1 4.47Å; K18-I28 HydrophobicContact CG-CG1 4.45Å; E26-I28 PolarHBondContact O-N 3.01Å; I28-N41 WeakPolarHBondContact O-CB 3.4Å; I28-N41 PolarHBondContact O-N 2.97Å; I28-F44 HydrophobicContact CB-CD2 4.31Å; I28-F44 HydrophobicContact CB-CG 4.24Å; I28-F44 HydrophobicContact CG1-CD1 4.29Å; I28-F44 HydrophobicContact CG1-CD2 4.45Å; I28-F44 HydrophobicContact CG1-CE1 4.12Å; I28-F44 HydrophobicContact CG1-CE2 4.26Å; I28-F44 HydrophobicContact CG1-CG 4.43Å; I28-F44 HydrophobicContact CG1-CZ 4.08Å; I28-F44 HydrophobicContact CG2-CB 3.67Å; I28-F44 HydrophobicContact CG2-CD1 3.85Å; I28-F44 HydrophobicContact CG2-CD2 4.19Å; I28-F44 HydrophobicContact CG2-CG 3.64Å; I28-A48 HydrophobicContact CG2-CB 3.88Å; I28-F50 HydrophobicContact CG2-CE1 4.24Å; I28-F50 HydrophobicContact CG2-CZ 3.95Å; I28-M61 HydrophobicContact CD1-CE 4.09Å; I28-M61 HydrophobicContact CD1-SD 3.78Å; I28-M61 HydrophobicContact CG2-SD 4.05Å; I28-Y74 HydrophobicContact CD1-CD1 3.73Å; I28-Y74 HydrophobicContact CD1-CE1 3.72Å
29	G	96	Very high	95.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-176.7	-174	0	0	0	0	0	111.9	W16 W27 N39	W16-G29 PolarHBondContact N-O 2.87Å; W27-G29 VanDerWaalsContact CZ2-CA 3.4Å; G29-N39 CarbonylContact C-O 3.57Å; G29-N39 WeakPolarHBondContact CA-O 3.18Å
30	E	95.9	Very high	95.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.009	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	159	-176.1	64.3	-174.4	170.2	0	0	112.3	W13 I14 E15 W27 T38 N39 F50	W13-E30 HydrophobicContact CD2-CG 4.34Å; W13-E30 HydrophobicContact CE3-CB 4.03Å; W13-E30 HydrophobicContact CE3-CG 3.54Å; W13-E30 HydrophobicContact CZ3-CG 3.88Å; I14-E30 CarbonylContact O-C 3.59Å; I14-E30 WeakPolarHBondContact O-CA 3.37Å; E15-E30 VanDerWaalsContact OE1-OE2 3.06Å; E15-E30 WeakPolarHBondContact OE2-CB 3.27Å; W27-E30 HydrophobicContact CZ2-CB 4.11Å; W27-E30 HydrophobicContact CZ2-CG 3.88Å; E30-T38 VanDerWaalsContact O-CA 3.26Å; E30-T38 WeakPolarHBondContact O-CA 3.37Å; E30-N39 HydrophobicContact CG-CB 3.86Å; E30-N39 PolarHBondContact N-O 2.78Å; E30-N39 PolarHBondContact O-N 2.72Å; E30-N39 PolarHBondContact OE1-ND2 2.57Å; E30-F50 WeakPolarHBondContact O-CD2 3.33Å
31	I	97	Very high	95.1	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.5	170.4	-175	166.8	0	0	0	110.3	I14 P33 S37 T38 F50 A52 A59	I14-I31 HydrophobicContact CB-CG2 4.1Å; I14-I31 PolarHBondContact N-O 3.06Å; I14-I31 PolarHBondContact O-N 2.94Å; I31-P33 WeakPolarHBondContact O-CD 3.39Å; I31-S37 CarbonylContact C-O 3.57Å; I31-S37 WeakPolarHBondContact CA-O 3.45Å; I31-T38 HydrophobicContact CB-CG2 3.93Å; I31-T38 HydrophobicContact CD1-CG2 3.92Å; I31-T38 HydrophobicContact CG1-CG2 3.75Å; I31-F50 HydrophobicContact CB-CB 3.94Å; I31-F50 HydrophobicContact CD1-CB 4.1Å; I31-F50 HydrophobicContact CG2-CB 4.19Å; I31-A52 HydrophobicContact CD1-CB 3.93Å; I31-A59 HydrophobicContact CG2-CB 4.35Å
32	L	96.1	Very high	95.3	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	107.9	168.6	-177.6	61.8	0	0	0	109	W13 G34 S35 G36 S37 Y81	W13-L32 HydrophobicContact CD2-CB 3.83Å; W13-L32 HydrophobicContact CD2-CD1 4.3Å; W13-L32 HydrophobicContact CE3-CB 3.54Å; W13-L32 VanDerWaalsContact CE3-N 3.3Å; W13-L32 HydrophobicContact CG-CD1 4.41Å; W13-L32 HydrophobicContact CH2-CB 3.67Å; W13-L32 HydrophobicContact CH2-CD2 4.36Å; W13-L32 HydrophobicContact CZ2-CB 3.95Å; W13-L32 HydrophobicContact CZ2-CD2 4Å; W13-L32 HydrophobicContact CZ2-CG 4.49Å; W13-L32 HydrophobicContact CZ3-CB 3.47Å; W13-L32 VanDerWaalsContact CZ3-CB 3.47Å; L32-G34 PolarHBondContact O-N 3.47Å; L32-S35 WeakPolarHBondContact CD2-OG 3.49Å; L32-S35 PolarHBondContact O-N 3.4Å; L32-G36 WeakPolarHBondContact O-CA 3.24Å; L32-G36 PolarHBondContact O-N 3.49Å; L32-S37 PolarHBondContact N-O 2.83Å; L32-Y81 HydrophobicContact CD1-CD2 3.9Å; L32-Y81 HydrophobicContact CD1-CG 4.43Å; L32-Y81 HydrophobicContact CD2-CD2 3.28Å; L32-Y81 HydrophobicContact CD2-CE2 3.28Å; L32-Y81 HydrophobicContact CD2-CG 4.34Å; L32-Y81 HydrophobicContact CG-CD2 4.26Å
33	P	97	Very high	95.3	Very high	10 Å²	10	54.9 Å²	54.9	7%	0.065	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.7	-175.9	-23.8	35.7	0	0	0	113.7	F9 Y12 I14 I31 S35 A52 T54	F9-P33 HydrophobicContact CD1-CB 3.69Å; F9-P33 HydrophobicContact CD1-CG 3.93Å; F9-P33 HydrophobicContact CD2-CG 4.11Å; F9-P33 HydrophobicContact CE1-CB 3.39Å; F9-P33 HydrophobicContact CE1-CG 3.52Å; F9-P33 HydrophobicContact CE2-CG 3.73Å; F9-P33 HydrophobicContact CG-CB 4.38Å; F9-P33 HydrophobicContact CG-CG 4.22Å; F9-P33 HydrophobicContact CZ-CB 3.85Å; F9-P33 HydrophobicContact CZ-CG 3.4Å; F9-P33 VanDerWaalsContact CZ-CG 3.4Å; Y12-P33 WeakPolarHBondContact O-CD 3.36Å; I14-P33 HydrophobicContact CG1-CG 3.88Å; I31-P33 WeakPolarHBondContact O-CD 3.39Å; P33-S35 PolarHBondContact O-N 2.93Å; P33-A52 HydrophobicContact CB-CB 3.79Å; P33-A52 HydrophobicContact CG-CB 4.11Å; P33-T54 HydrophobicContact CB-CG2 4.24Å; P33-T54 WeakPolarHBondContact O-CG2 3.19Å
34	G	95.9	Very high	95.3	Very high	51 Å²	51	49.5 Å²	49.5	53%	0.526	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-30.6	-179.6	0	0	0	0	0	114.5	T10 L32	T10-G34 WeakPolarHBondContact O-CA 3.49Å; T10-G34 PolarHBondContact O-N 3.23Å; L32-G34 PolarHBondContact O-N 3.47Å
35	S	95.6	Very high	95.2	Very high	72 Å²	72	52.7 Å²	52.7	50%	0.503	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-15.6	-180	66	0	0	0	0	114	L32 P33 S37	L32-S35 WeakPolarHBondContact CD2-OG 3.49Å; L32-S35 PolarHBondContact O-N 3.4Å; P33-S35 PolarHBondContact O-N 2.93Å; S35-S37 PolarHBondContact O-N 2.82Å; S35-S37 VanDerWaalsContact OG-CB 3.25Å; S35-S37 WeakPolarHBondContact OG-CB 3.32Å; S35-S37 PolarHBondContact OG-N 3.31Å; S35-S37 VanDerWaalsContact OG-N 3.11Å; S35-S37 PolarHBondContact OG-OG 2.69Å
36	G	95.7	Very high	95.1	Very high	46 Å²	46	51.5 Å²	51.5	47%	0.474	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	7.4	-168.3	0	0	0	0	0	113.9	L32	L32-G36 WeakPolarHBondContact O-CA 3.24Å; L32-G36 PolarHBondContact O-N 3.49Å
37	S	95.5	Very high	95.1	Very high	57 Å²	57	51.8 Å²	51.8	40%	0.399	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	137.9	176.9	-60.5	0	0	0	0	110.3	W13 I31 L32 S35	W13-S37 WeakPolarHBondContact CZ3-O 3.4Å; I31-S37 CarbonylContact C-O 3.57Å; I31-S37 WeakPolarHBondContact CA-O 3.45Å; L32-S37 PolarHBondContact N-O 2.83Å; S35-S37 PolarHBondContact O-N 2.82Å; S35-S37 VanDerWaalsContact OG-CB 3.25Å; S35-S37 WeakPolarHBondContact OG-CB 3.32Å; S35-S37 PolarHBondContact OG-N 3.31Å; S35-S37 VanDerWaalsContact OG-N 3.11Å; S35-S37 PolarHBondContact OG-OG 2.69Å
38	T	96.1	Very high	95.2	Very high	50 Å²	50	48.2 Å²	48.2	31%	0.307	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.6	179.8	51.4	0	0	0	0	110.7	E30 I31 Y40 F50	E30-T38 VanDerWaalsContact O-CA 3.26Å; E30-T38 WeakPolarHBondContact O-CA 3.37Å; I31-T38 HydrophobicContact CB-CG2 3.93Å; I31-T38 HydrophobicContact CD1-CG2 3.92Å; I31-T38 HydrophobicContact CG1-CG2 3.75Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.21Å; T38-F50 HydrophobicContact CG2-CB 4.1Å; T38-F50 HydrophobicContact CG2-CD2 4.21Å
39	N	94.6	Very high	95.3	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.374	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.6	168	-61.7	-48.7	0	0	0	108.9	W27 G29 E30	W27-N39 HydrophobicContact CH2-CB 4.17Å; G29-N39 CarbonylContact C-O 3.57Å; G29-N39 WeakPolarHBondContact CA-O 3.18Å; E30-N39 HydrophobicContact CG-CB 3.86Å; E30-N39 PolarHBondContact N-O 2.78Å; E30-N39 PolarHBondContact O-N 2.72Å; E30-N39 PolarHBondContact OE1-ND2 2.57Å
40	Y	95.6	Very high	95.4	Very high	62 Å²	62	52 Å²	52	24%	0.243	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.1	-177.8	-64	-91.3	0	0	0	109.8	T38 A48 F50	T38-Y40 WeakPolarHBondContact OG1-CE2 3.21Å; Y40-A48 VanDerWaalsContact CE1-O 3.22Å; Y40-A48 WeakPolarHBondContact CE1-O 3.41Å; Y40-F50 HydrophobicContact CD1-CD2 4.19Å; Y40-F50 AromaticContact CD1-CE2 3.48Å; Y40-F50 HydrophobicContact CD1-CE2 3.48Å; Y40-F50 VanDerWaalsContact CD1-CE2 3.48Å; Y40-F50 AromaticContact CD1-CZ 3.88Å; Y40-F50 HydrophobicContact CD1-CZ 3.88Å; Y40-F50 AromaticContact CE1-CD2 3.53Å; Y40-F50 HydrophobicContact CE1-CD2 3.53Å; Y40-F50 HydrophobicContact CE1-CE1 4.42Å; Y40-F50 AromaticContact CE1-CE2 3.26Å; Y40-F50 HydrophobicContact CE1-CE2 3.26Å; Y40-F50 HydrophobicContact CE1-CG 4.21Å; Y40-F50 AromaticContact CE1-CZ 3.77Å; Y40-F50 HydrophobicContact CE1-CZ 3.77Å; Y40-F50 HydrophobicContact CG-CE2 4.27Å; Y40-F50 AromaticContact CZ-CD2 3.76Å; Y40-F50 AromaticContact CZ-CE2 3.91Å
41	N	94.9	Very high	95.5	Very high	46 Å²	46	55.6 Å²	55.6	25%	0.246	33%	0.33	C	S	.	.			trans	-70.6	131.7	156	-177.6	-31	0	0	0	108.3	W27 I28 K43 F44 K45	W27-N41 HydrophobicContact CE3-CB 3.73Å; W27-N41 HydrophobicContact CZ3-CB 3.94Å; W27-N41 VanDerWaalsContact O-CB 3.27Å; W27-N41 WeakPolarHBondContact O-CB 3.49Å; W27-N41 PolarHBondContact O-ND2 2.9Å; I28-N41 WeakPolarHBondContact O-CB 3.4Å; I28-N41 PolarHBondContact O-N 2.97Å; N41-K43 PolarHBondContact O-N 3.05Å; N41-K43 PolarHBondContact OD1-N 2.87Å; N41-F44 HydrophobicContact CB-CD2 3.93Å; N41-F44 PolarHBondContact O-N 3.03Å; N41-K45 PolarHBondContact O-N 2.9Å; N41-K45 VanDerWaalsContact O-N 3.16Å
42	E	94.1	Very high	95.5	Very high	132 Å²	132	57.1 Å²	57.1	62%	0.617	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.2	-178	-69.1	-61.7	142.3	0	0	112.9	F44 K45	E42-F44 PolarHBondContact O-N 2.84Å; E42-K45 IonicContact OE1-NZ 2.84Å; E42-K45 PolarHBondContact OE1-NZ 3.27Å; E42-K45 VanDerWaalsContact OE2-CD 3.22Å; E42-K45 WeakPolarHBondContact OE2-CD 3.22Å; E42-K45 IonicContact OE2-NZ 3.27Å; E42-K45 PolarHBondContact OE2-NZ 3.16Å
43	K	91.9	Very high	95.6	Very high	160 Å²	160	60.2 Å²	60.2	70%	0.696	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.2	175	-67.6	-176.4	-179.5	-179.9	0	114.5	N41	N41-K43 PolarHBondContact O-N 3.05Å; N41-K43 PolarHBondContact OD1-N 2.87Å
44	F	93.6	Very high	95.6	Very high	5 Å²	5	63.3 Å²	63.3	2%	0.022	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-4.5	-174.7	-61.9	-87.5	0	0	0	113.1	K18 I28 N41 E42 G46 K47 A48	K18-F44 HydrophobicContact CD-CE1 3.66Å; K18-F44 HydrophobicContact CD-CZ 3.59Å; K18-F44 VanDerWaalsContact CE-CZ 3.42Å; K18-F44 HydrophobicContact CG-CZ 4.16Å; I28-F44 HydrophobicContact CB-CD2 4.31Å; I28-F44 HydrophobicContact CB-CG 4.24Å; I28-F44 HydrophobicContact CG1-CD1 4.29Å; I28-F44 HydrophobicContact CG1-CD2 4.45Å; I28-F44 HydrophobicContact CG1-CE1 4.12Å; I28-F44 HydrophobicContact CG1-CE2 4.26Å; I28-F44 HydrophobicContact CG1-CG 4.43Å; I28-F44 HydrophobicContact CG1-CZ 4.08Å; I28-F44 HydrophobicContact CG2-CB 3.67Å; I28-F44 HydrophobicContact CG2-CD1 3.85Å; I28-F44 HydrophobicContact CG2-CD2 4.19Å; I28-F44 HydrophobicContact CG2-CG 3.64Å; N41-F44 HydrophobicContact CB-CD2 3.93Å; N41-F44 PolarHBondContact O-N 3.03Å; E42-F44 PolarHBondContact O-N 2.84Å; F44-G46 PolarHBondContact O-N 3.27Å; F44-K47 WeakPolarHBondContact O-CB 3.33Å; F44-K47 PolarHBondContact O-N 3.06Å; F44-A48 HydrophobicContact CB-CB 4.47Å; F44-A48 PolarHBondContact O-N 3.08Å
45	K	92.6	Very high	95.6	Very high	122 Å²	122	65.9 Å²	65.9	53%	0.53	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-60.1	125.9	175.2	-162.3	176	-169.5	171.6	0	109.5	N41 E42 K47	N41-K45 PolarHBondContact O-N 2.9Å; N41-K45 VanDerWaalsContact O-N 3.16Å; E42-K45 IonicContact OE1-NZ 2.84Å; E42-K45 PolarHBondContact OE1-NZ 3.27Å; E42-K45 VanDerWaalsContact OE2-CD 3.22Å; E42-K45 WeakPolarHBondContact OE2-CD 3.22Å; E42-K45 IonicContact OE2-NZ 3.27Å; E42-K45 PolarHBondContact OE2-NZ 3.16Å; K45-K47 VanDerWaalsContact C-N 3.26Å; K45-K47 PolarHBondContact O-N 2.8Å
46	G	92.3	Very high	95.6	Very high	71 Å²	71	64.5 Å²	64.5	73%	0.732	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-11	-174.4	0	0	0	0	0	115.2	F44	F44-G46 PolarHBondContact O-N 3.27Å
47	K	95.3	Very high	95.7	Very high	44 Å²	44	65.2 Å²	65.2	19%	0.191	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-36.3	174.1	-164.9	174.6	-168.2	166.4	0	112.7	F44 K45 L63 S64 S65 D70	F44-K47 WeakPolarHBondContact O-CB 3.33Å; F44-K47 PolarHBondContact O-N 3.06Å; K45-K47 VanDerWaalsContact C-N 3.26Å; K45-K47 PolarHBondContact O-N 2.8Å; K47-L63 WeakPolarHBondContact O-CA 3.26Å; K47-S64 VanDerWaalsContact CG-O 3.25Å; K47-S64 WeakPolarHBondContact CG-O 3.19Å; K47-S64 PolarHBondContact O-N 3.4Å; K47-S64 PolarHBondContact O-OG 2.82Å; K47-S65 WeakPolarHBondContact CE-O 3.39Å; K47-D70 WeakPolarHBondContact CE-OD1 3.38Å; K47-D70 WeakPolarHBondContact CE-OD2 3.28Å; K47-D70 IonicContact NZ-OD1 2.72Å; K47-D70 PolarHBondContact NZ-OD1 2.87Å; K47-D70 IonicContact NZ-OD2 2.57Å; K47-D70 PolarHBondContact NZ-OD2 2.87Å
48	A	97.1	Very high	95.8	Very high	2 Å²	2	63.6 Å²	63.6	2%	0.017	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.4	176.5	0	0	0	0	0	110.7	I28 Y40 F44 F50 M61 Q62 L63	I28-A48 HydrophobicContact CG2-CB 3.88Å; Y40-A48 VanDerWaalsContact CE1-O 3.22Å; Y40-A48 WeakPolarHBondContact CE1-O 3.41Å; F44-A48 HydrophobicContact CB-CB 4.47Å; F44-A48 PolarHBondContact O-N 3.08Å; A48-F50 HydrophobicContact CB-CE1 3.81Å; A48-F50 HydrophobicContact CB-CZ 4.1Å; A48-M61 HydrophobicContact CB-CG 4.35Å; A48-M61 HydrophobicContact CB-SD 4.38Å; A48-Q62 CarbonylContact C-O 3.48Å; A48-Q62 WeakPolarHBondContact CA-O 3.48Å; A48-L63 HydrophobicContact CB-CD2 3.87Å
49	T	97.9	Very high	95.9	Very high	67 Å²	67	61.2 Å²	61.2	41%	0.411	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.6	169.3	-58.9	0	0	0	0	108.3	M61 Q62	T49-M61 WeakPolarHBondContact O-CA 3.47Å; T49-Q62 PolarHBondContact N-O 3.27Å; T49-Q62 PolarHBondContact O-N 2.94Å
50	F	98.1	Very high	96.1	Very high	11 Å²	11	60 Å²	60	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.8	178.6	-48.1	-43.7	0	0	0	111.6	W16 I28 E30 I31 T38 Y40 A48 C60 M61	W16-F50 HydrophobicContact CB-CE1 4.23Å; W16-F50 AromaticContact CD1-CD1 3.5Å; W16-F50 VanDerWaalsContact CD1-CD1 3.5Å; W16-F50 AromaticContact CD1-CE1 3.49Å; W16-F50 VanDerWaalsContact CD1-CE1 3.49Å; W16-F50 HydrophobicContact CG-CD1 4.31Å; W16-F50 AromaticContact CG-CE1 3.98Å; W16-F50 HydrophobicContact CG-CE1 3.98Å; W16-F50 AromaticContact NE1-CD1 3.76Å; I28-F50 HydrophobicContact CG2-CE1 4.24Å; I28-F50 HydrophobicContact CG2-CZ 3.95Å; E30-F50 WeakPolarHBondContact O-CD2 3.33Å; I31-F50 HydrophobicContact CB-CB 3.94Å; I31-F50 HydrophobicContact CD1-CB 4.1Å; I31-F50 HydrophobicContact CG2-CB 4.19Å; T38-F50 HydrophobicContact CG2-CB 4.1Å; T38-F50 HydrophobicContact CG2-CD2 4.21Å; Y40-F50 HydrophobicContact CD1-CD2 4.19Å; Y40-F50 AromaticContact CD1-CE2 3.48Å; Y40-F50 HydrophobicContact CD1-CE2 3.48Å; Y40-F50 VanDerWaalsContact CD1-CE2 3.48Å; Y40-F50 AromaticContact CD1-CZ 3.88Å; Y40-F50 HydrophobicContact CD1-CZ 3.88Å; Y40-F50 AromaticContact CE1-CD2 3.53Å; Y40-F50 HydrophobicContact CE1-CD2 3.53Å; Y40-F50 HydrophobicContact CE1-CE1 4.42Å; Y40-F50 AromaticContact CE1-CE2 3.26Å; Y40-F50 HydrophobicContact CE1-CE2 3.26Å; Y40-F50 HydrophobicContact CE1-CG 4.21Å; Y40-F50 AromaticContact CE1-CZ 3.77Å; Y40-F50 HydrophobicContact CE1-CZ 3.77Å; Y40-F50 HydrophobicContact CG-CE2 4.27Å; Y40-F50 AromaticContact CZ-CD2 3.76Å; Y40-F50 AromaticContact CZ-CE2 3.91Å; A48-F50 HydrophobicContact CB-CE1 3.81Å; A48-F50 HydrophobicContact CB-CZ 4.1Å; F50-C60 WeakPolarHBondContact CA-O 3.35Å; F50-M61 HydrophobicContact CD1-CB 3.93Å; F50-M61 HydrophobicContact CD1-CG 3.83Å; F50-M61 HydrophobicContact CE1-CB 4.16Å; F50-M61 HydrophobicContact CE1-CG 3.65Å; F50-M61 HydrophobicContact CE1-SD 3.8Å
51	T	98.1	Very high	96.2	Very high	78 Å²	78	58.6 Å²	58.6	48%	0.479	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.9	172.3	60.9	0	0	0	0	110.3	A59 C60	T51-A59 CarbonylContact O-C 3.57Å; T51-A59 WeakPolarHBondContact O-CA 2.99Å; T51-C60 PolarHBondContact N-O 2.97Å; T51-C60 PolarHBondContact O-N 3.31Å; T51-C60 WeakPolarHBondContact OG1-CB 3Å
52	A	98	Very high	96.4	Very high	38 Å²	38	63 Å²	63	31%	0.314	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137	175.2	0	0	0	0	0	110.5	F9 I31 P33 T58	F9-A52 HydrophobicContact CE1-CB 4.3Å; F9-A52 HydrophobicContact CZ-CB 4.35Å; I31-A52 HydrophobicContact CD1-CB 3.93Å; P33-A52 HydrophobicContact CB-CB 3.79Å; P33-A52 HydrophobicContact CG-CB 4.11Å; A52-T58 WeakPolarHBondContact CA-O 3.28Å
53	D	97.6	Very high	96.5	Very high	71 Å²	71	58.4 Å²	58.4	38%	0.38	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108.6	171.1	172.7	13	0	0	0	108.6	S55 S56 N57 T58	D53-S55 VanDerWaalsContact C-N 3.3Å; D53-S55 WeakPolarHBondContact OD1-CB 3.19Å; D53-S55 PolarHBondContact OD1-N 2.86Å; D53-S55 PolarHBondContact OD1-OG 3.13Å; D53-S55 PolarHBondContact OD2-OG 2.86Å; D53-S56 VanDerWaalsContact OD2-CB 3.3Å; D53-S56 WeakPolarHBondContact OD2-CB 3.11Å; D53-S56 PolarHBondContact OD2-OG 3.17Å; D53-N57 WeakPolarHBondContact O-CA 3.48Å; D53-N57 PolarHBondContact O-N 3.09Å; D53-T58 PolarHBondContact N-O 3.21Å; D53-T58 PolarHBondContact O-N 2.81Å
54	T	96.7	Very high	96.6	Very high	75 Å²	75	53.1 Å²	53.1	46%	0.46	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-18.5	-178.3	56.6	0	0	0	0	112.8	T10 P33 N57	T10-T54 HydrophobicContact CG2-CG2 3.66Å; P33-T54 HydrophobicContact CB-CG2 4.24Å; P33-T54 WeakPolarHBondContact O-CG2 3.19Å; T54-N57 PolarHBondContact O-OD1 2.83Å
55	S	96	Very high	96.6	Very high	104 Å²	104	58 Å²	58	73%	0.727	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-35	176.3	74.8	0	0	0	0	111.9	D53	D53-S55 VanDerWaalsContact C-N 3.3Å; D53-S55 WeakPolarHBondContact OD1-CB 3.19Å; D53-S55 PolarHBondContact OD1-N 2.86Å; D53-S55 PolarHBondContact OD1-OG 3.13Å; D53-S55 PolarHBondContact OD2-OG 2.86Å
56	S	97.1	Very high	96.7	Very high	44 Å²	44	55.2 Å²	55.2	31%	0.308	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-0.2	178.8	68.6	0	0	0	0	113.9	D53 T58	D53-S56 VanDerWaalsContact OD2-CB 3.3Å; D53-S56 WeakPolarHBondContact OD2-CB 3.11Å; D53-S56 PolarHBondContact OD2-OG 3.17Å; S56-T58 VanDerWaalsContact C-N 3.27Å; S56-T58 PolarHBondContact O-N 2.81Å; S56-T58 PolarHBondContact O-OG1 2.75Å; S56-T58 WeakPolarHBondContact OG-CB 3.22Å; S56-T58 PolarHBondContact OG-OG1 3.05Å
57	N	97.3	Very high	96.8	Very high	61 Å²	61	55 Å²	55	33%	0.326	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	44.1	-173.1	-65.9	-38.9	0	0	0	112.9	A4 F9 D53 T54	A4-N57 HydrophobicContact CB-CB 4.25Å; A4-N57 PolarHBondContact N-O 2.84Å; F9-N57 HydrophobicContact CB-CB 3.96Å; F9-N57 VanDerWaalsContact CB-OD1 3.31Å; F9-N57 WeakPolarHBondContact CB-OD1 3.42Å; F9-N57 HydrophobicContact CD1-CB 4.06Å; F9-N57 HydrophobicContact CG-CB 3.97Å; D53-N57 WeakPolarHBondContact O-CA 3.48Å; D53-N57 PolarHBondContact O-N 3.09Å; T54-N57 PolarHBondContact O-OD1 2.83Å
58	T	98.2	Very high	96.8	Very high	23 Å²	23	56.7 Å²	56.7	14%	0.141	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.3	-174.8	-57	0	0	0	0	111.1	C2 A52 D53 S56	C2-T58 WeakPolarHBondContact O-CA 3.25Å; A52-T58 WeakPolarHBondContact CA-O 3.28Å; D53-T58 PolarHBondContact N-O 3.21Å; D53-T58 PolarHBondContact O-N 2.81Å; S56-T58 VanDerWaalsContact C-N 3.27Å; S56-T58 PolarHBondContact O-N 2.81Å; S56-T58 PolarHBondContact O-OG1 2.75Å; S56-T58 WeakPolarHBondContact OG-CB 3.22Å; S56-T58 PolarHBondContact OG-OG1 3.05Å
59	A	98.1	Very high	96.5	Very high	0 Å²	0	63 Å²	63	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	145	167	0	0	0	0	0	110.1	S1 C2 F9 I14 W16 I31 T51	S1-A59 CarbonylContact C-O 3.55Å; S1-A59 VanDerWaalsContact CA-O 3.26Å; S1-A59 WeakPolarHBondContact CA-O 3.32Å; C2-A59 PolarHBondContact N-O 3.21Å; C2-A59 PolarHBondContact O-N 2.86Å; F9-A59 HydrophobicContact CE2-CB 4.3Å; F9-A59 HydrophobicContact CZ-CB 3.96Å; I14-A59 HydrophobicContact CB-CB 4.02Å; I14-A59 HydrophobicContact CG1-CB 4.07Å; I14-A59 HydrophobicContact CG2-CB 3.7Å; W16-A59 HydrophobicContact CZ2-CB 4.14Å; I31-A59 HydrophobicContact CG2-CB 4.35Å; T51-A59 CarbonylContact O-C 3.57Å; T51-A59 WeakPolarHBondContact O-CA 2.99Å
60	C	98.1	Very high	96.4	Very high	45 Å²	45	60 Å²	60	30%	0.304	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.8	178.7	-69.8	0	0	0	0	109.8	S1 F50 T51	S1-C60 VanDerWaalsContact CB-SG 3.51Å; F50-C60 WeakPolarHBondContact CA-O 3.35Å; T51-C60 PolarHBondContact N-O 2.97Å; T51-C60 PolarHBondContact O-N 3.31Å; T51-C60 WeakPolarHBondContact OG1-CB 3Å
61	M	98	Very high	96.3	Very high	32 Å²	32	61.1 Å²	61.1	16%	0.158	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.6	164.1	175	-179.9	67.9	0	0	107.5	W16 I28 A48 T49 F50 L63 Y74	W16-M61 HydrophobicContact CB-SD 3.91Å; W16-M61 HydrophobicContact CD2-CB 3.64Å; W16-M61 HydrophobicContact CD2-CE 4.44Å; W16-M61 HydrophobicContact CD2-CG 4.46Å; W16-M61 HydrophobicContact CD2-SD 4.16Å; W16-M61 HydrophobicContact CE3-CB 4Å; W16-M61 HydrophobicContact CE3-CE 4.06Å; W16-M61 HydrophobicContact CE3-SD 4.37Å; W16-M61 HydrophobicContact CG-CB 4.08Å; W16-M61 HydrophobicContact CG-SD 3.96Å; W16-M61 HydrophobicContact CH2-CB 4.22Å; W16-M61 HydrophobicContact CZ2-CB 3.88Å; W16-M61 HydrophobicContact CZ3-CB 4.27Å; I28-M61 HydrophobicContact CD1-CE 4.09Å; I28-M61 HydrophobicContact CD1-SD 3.78Å; I28-M61 HydrophobicContact CG2-SD 4.05Å; A48-M61 HydrophobicContact CB-CG 4.35Å; A48-M61 HydrophobicContact CB-SD 4.38Å; T49-M61 WeakPolarHBondContact O-CA 3.47Å; F50-M61 HydrophobicContact CD1-CB 3.93Å; F50-M61 HydrophobicContact CD1-CG 3.83Å; F50-M61 HydrophobicContact CE1-CB 4.16Å; F50-M61 HydrophobicContact CE1-CG 3.65Å; F50-M61 HydrophobicContact CE1-SD 3.8Å; M61-L63 HydrophobicContact CE-CD1 3.87Å; M61-L63 HydrophobicContact CE-CD2 4.17Å; M61-L63 HydrophobicContact CE-CG 4Å; M61-L63 HydrophobicContact CG-CD2 4.21Å; M61-L63 HydrophobicContact CG-CG 4.28Å; M61-L63 HydrophobicContact SD-CD2 3.9Å; M61-L63 HydrophobicContact SD-CG 4.27Å; M61-Y74 HydrophobicContact CE-CD1 3.64Å; M61-Y74 HydrophobicContact CE-CE1 4.08Å; M61-Y74 HydrophobicContact CE-CG 4.43Å
62	Q	97.6	Very high	96.3	Very high	137 Å²	137	57.7 Å²	57.7	64%	0.64	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	129.2	168.8	-173.5	175	12.4	0	0	108.2	A48 T49	A48-Q62 CarbonylContact C-O 3.48Å; A48-Q62 WeakPolarHBondContact CA-O 3.48Å; T49-Q62 PolarHBondContact N-O 3.27Å; T49-Q62 PolarHBondContact O-N 2.94Å
63	L	96.4	Very high	96.3	Very high	37 Å²	37	58.6 Å²	58.6	19%	0.194	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138	173.5	-64.4	169.6	0	0	0	109.1	K47 A48 M61 L66 Y74 L98	K47-L63 WeakPolarHBondContact O-CA 3.26Å; A48-L63 HydrophobicContact CB-CD2 3.87Å; M61-L63 HydrophobicContact CE-CD1 3.87Å; M61-L63 HydrophobicContact CE-CD2 4.17Å; M61-L63 HydrophobicContact CE-CG 4Å; M61-L63 HydrophobicContact CG-CD2 4.21Å; M61-L63 HydrophobicContact CG-CG 4.28Å; M61-L63 HydrophobicContact SD-CD2 3.9Å; M61-L63 HydrophobicContact SD-CG 4.27Å; L63-L66 HydrophobicContact CB-CD1 4.39Å; L63-L66 HydrophobicContact CB-CD2 3.77Å; L63-L66 HydrophobicContact CB-CG 4.25Å; L63-L66 HydrophobicContact CD1-CD2 4.11Å; L63-L66 HydrophobicContact CG-CD2 4.49Å; L63-Y74 HydrophobicContact CD1-CD1 4.36Å; L63-Y74 HydrophobicContact CD1-CE1 3.66Å; L63-L98 HydrophobicContact CD1-CD2 3.98Å
64	S	95.4	Very high	96.3	Very high	49 Å²	49	55.8 Å²	55.8	34%	0.343	33%	0.326	S	S	.	.			trans	-120.1	162.3	175.8	60.7	0	0	0	0	110.9	K47 L66	K47-S64 VanDerWaalsContact CG-O 3.25Å; K47-S64 WeakPolarHBondContact CG-O 3.19Å; K47-S64 PolarHBondContact O-N 3.4Å; K47-S64 PolarHBondContact O-OG 2.82Å; S64-L66 VanDerWaalsContact C-N 3.3Å; S64-L66 PolarHBondContact O-N 2.03Å
65	S	92.8	Very high	96.4	Very high	108 Å²	108	54 Å²	54	76%	0.755	31%	0.312	S	S	*	.	S	Bend	trans	50.5	47.9	174.2	-55.2	0	0	0	0	113.4	K47	K47-S65 WeakPolarHBondContact CE-O 3.39Å
66	L	94.5	Very high	96.4	Very high	63 Å²	63	49.9 Å²	49.9	33%	0.33	28%	0.282	S	S	.	.			trans	-70.7	141.3	-177.6	-70.1	175.7	0	0	0	111.7	L63 S64 D70 L98 V100	L63-L66 HydrophobicContact CB-CD1 4.39Å; L63-L66 HydrophobicContact CB-CD2 3.77Å; L63-L66 HydrophobicContact CB-CG 4.25Å; L63-L66 HydrophobicContact CD1-CD2 4.11Å; L63-L66 HydrophobicContact CG-CD2 4.49Å; S64-L66 VanDerWaalsContact C-N 3.3Å; S64-L66 PolarHBondContact O-N 2.03Å; L66-D70 WeakPolarHBondContact CA-OD2 3.34Å; L66-D70 HydrophobicContact CD2-CB 3.74Å; L66-D70 WeakPolarHBondContact CD2-OD2 3.36Å; L66-L98 HydrophobicContact CD1-CD2 4Å; L66-L98 HydrophobicContact CD2-CD2 4.45Å; L66-V100 HydrophobicContact CB-CG1 4.34Å; L66-V100 HydrophobicContact CB-CG2 4.05Å; L66-V100 HydrophobicContact CD1-CG2 4.2Å
67	T	94.8	Very high	96.3	Very high	65 Å²	65	48 Å²	48	40%	0.399	27%	0.269	S	S	.	.			trans	-122.1	170.3	173.2	68.5	0	0	0	0	109.8	E69 D70 V100	T67-E69 PolarHBondContact O-N 2.95Å; T67-E69 VanDerWaalsContact O-N 3.13Å; T67-D70 PolarHBondContact N-OD2 3.02Å; T67-D70 WeakPolarHBondContact O-CB 3.04Å; T67-D70 PolarHBondContact O-N 2.92Å; T67-V100 WeakPolarHBondContact O-CB 3.43Å; T67-V100 WeakPolarHBondContact O-CG1 3.36Å
68	T	95.1	Very high	96.1	Very high	81 Å²	81	47.3 Å²	47.3	50%	0.497	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-56.2	-29.6	177.8	52.4	0	0	0	0	112.7	D70 S71	T68-D70 PolarHBondContact O-N 2.74Å; T68-S71 WeakPolarHBondContact O-CB 3.09Å; T68-S71 PolarHBondContact O-N 2.9Å; T68-S71 VanDerWaalsContact O-N 3.11Å; T68-S71 PolarHBondContact O-OG 2.83Å
69	E	91.8	Very high	95.8	Very high	135 Å²	135	46.4 Å²	46.4	63%	0.631	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-68.6	-10.6	176.5	-61.5	-173.4	175.8	0	0	114.6	R20 T67 S71	R20-E69 PolarHBondContact NE-O 2.9Å; R20-E69 PolarHBondContact NH2-O 2.85Å; T67-E69 PolarHBondContact O-N 2.95Å; T67-E69 VanDerWaalsContact O-N 3.13Å; E69-S71 VanDerWaalsContact C-N 3.33Å
70	D	94.6	Very high	95.4	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-87.2	-4.9	172.9	-60.5	-55.9	0	0	0	112.8	K47 L66 T67 T68 A72 Y74 V100	K47-D70 WeakPolarHBondContact CE-OD1 3.38Å; K47-D70 WeakPolarHBondContact CE-OD2 3.28Å; K47-D70 IonicContact NZ-OD1 2.72Å; K47-D70 PolarHBondContact NZ-OD1 2.87Å; K47-D70 IonicContact NZ-OD2 2.57Å; K47-D70 PolarHBondContact NZ-OD2 2.87Å; L66-D70 WeakPolarHBondContact CA-OD2 3.34Å; L66-D70 HydrophobicContact CD2-CB 3.74Å; L66-D70 WeakPolarHBondContact CD2-OD2 3.36Å; T67-D70 PolarHBondContact N-OD2 3.02Å; T67-D70 WeakPolarHBondContact O-CB 3.04Å; T67-D70 PolarHBondContact O-N 2.92Å; T68-D70 PolarHBondContact O-N 2.74Å; D70-A72 PolarHBondContact O-N 3.24Å; D70-Y74 WeakPolarHBondContact O-CE2 3.35Å; D70-Y74 PolarHBondContact O-OH 3.49Å; D70-V100 HydrophobicContact CB-CG2 4.5Å
71	S	96.9	Very high	94.5	Very high	33 Å²	33	54 Å²	54	23%	0.231	29%	0.286	C	S	.	.			trans	-61.9	113.8	175.4	-59.3	0	0	0	0	110.3	T68 E69 L98 V100	T68-S71 WeakPolarHBondContact O-CB 3.09Å; T68-S71 PolarHBondContact O-N 2.9Å; T68-S71 VanDerWaalsContact O-N 3.11Å; T68-S71 PolarHBondContact O-OG 2.83Å; E69-S71 VanDerWaalsContact C-N 3.33Å; S71-L98 CarbonylContact C-O 3.59Å; S71-L98 VanDerWaalsContact CA-O 3.26Å; S71-L98 WeakPolarHBondContact CA-O 3.3Å; S71-V100 PolarHBondContact OG-N 3.3Å; S71-V100 PolarHBondContact OG-O 2.85Å
72	A	97.5	Very high	93.5	Very high	6 Å²	6	56 Å²	56	5%	0.05	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	169.9	-169.9	0	0	0	0	0	111.1	K18 Q19 R20 D70 Y74 L98	K18-A72 HydrophobicContact CB-CB 4.26Å; Q19-A72 WeakPolarHBondContact O-CA 3.46Å; Q19-A72 WeakPolarHBondContact O-CB 3.45Å; R20-A72 HydrophobicContact CG-CB 4.16Å; D70-A72 PolarHBondContact O-N 3.24Å; A72-Y74 HydrophobicContact CB-CD2 4.29Å; A72-Y74 HydrophobicContact CB-CE2 3.8Å; A72-L98 PolarHBondContact N-O 2.62Å; A72-L98 PolarHBondContact O-N 3.19Å
73	I	98.2	Very high	92.3	Very high	58 Å²	58	51.3 Å²	51.3	30%	0.297	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130	162.2	-53.1	174.6	0	0	0	107.8	K18 Q19 Y75 T96	K18-I73 CarbonylContact C-O 3.51Å; K18-I73 WeakPolarHBondContact CA-O 3.38Å; Q19-I73 PolarHBondContact N-O 2.95Å; Q19-I73 PolarHBondContact O-N 2.96Å; I73-Y75 HydrophobicContact CB-CE2 3.89Å; I73-Y75 HydrophobicContact CG2-CD1 4.42Å; I73-Y75 HydrophobicContact CG2-CD2 4.29Å; I73-Y75 HydrophobicContact CG2-CE1 3.75Å; I73-Y75 HydrophobicContact CG2-CE2 3.63Å; I73-Y75 WeakPolarHBondContact CG2-OH 3.44Å; I73-T96 WeakPolarHBondContact CA-O 3.46Å
74	Y	98.2	Very high	90.9	Very high	11 Å²	11	53.4 Å²	53.4	4%	0.043	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	178.9	-72	-95.7	0	0	0	110	V17 K18 I28 M61 L63 D70 A72 G95 T96 L98	V17-Y74 CarbonylContact O-C 3.46Å; V17-Y74 WeakPolarHBondContact O-CA 3.31Å; K18-Y74 HydrophobicContact CB-CD1 3.81Å; K18-Y74 HydrophobicContact CB-CE1 3.72Å; K18-Y74 HydrophobicContact CB-CG 4.42Å; K18-Y74 HydrophobicContact CD-CE1 4.36Å; I28-Y74 HydrophobicContact CD1-CD1 3.73Å; I28-Y74 HydrophobicContact CD1-CE1 3.72Å; M61-Y74 HydrophobicContact CE-CD1 3.64Å; M61-Y74 HydrophobicContact CE-CE1 4.08Å; M61-Y74 HydrophobicContact CE-CG 4.43Å; L63-Y74 HydrophobicContact CD1-CD1 4.36Å; L63-Y74 HydrophobicContact CD1-CE1 3.66Å; D70-Y74 WeakPolarHBondContact O-CE2 3.35Å; D70-Y74 PolarHBondContact O-OH 3.49Å; A72-Y74 HydrophobicContact CB-CD2 4.29Å; A72-Y74 HydrophobicContact CB-CE2 3.8Å; Y74-G95 CarbonylContact O-C 3.5Å; Y74-G95 WeakPolarHBondContact O-CA 3.37Å; Y74-T96 PolarHBondContact N-O 3.09Å; Y74-T96 PolarHBondContact O-N 2.63Å; Y74-L98 HydrophobicContact CD2-CB 3.72Å; Y74-L98 HydrophobicContact CD2-CD2 4.28Å; Y74-L98 HydrophobicContact CE2-CB 3.65Å; Y74-L98 HydrophobicContact CE2-CD2 3.65Å; Y74-L98 HydrophobicContact CE2-CG 4.23Å
75	Y	97.8	Very high	89.1	Confident	38 Å²	38	55.7 Å²	55.7	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149.1	-179.1	-54.8	-89.4	0	0	0	110	V17 Q19 L25 I73 W92	V17-Y75 PolarHBondContact N-O 2.99Å; V17-Y75 PolarHBondContact O-N 3.11Å; Q19-Y75 HydrophobicContact CB-CE2 3.77Å; Q19-Y75 PolarHBondContact OE1-OH 2.82Å; L25-Y75 HydrophobicContact CD2-CD2 4.44Å; L25-Y75 HydrophobicContact CD2-CE2 4.35Å; I73-Y75 HydrophobicContact CB-CE2 3.89Å; I73-Y75 HydrophobicContact CG2-CD1 4.42Å; I73-Y75 HydrophobicContact CG2-CD2 4.29Å; I73-Y75 HydrophobicContact CG2-CE1 3.75Å; I73-Y75 HydrophobicContact CG2-CE2 3.63Å; I73-Y75 WeakPolarHBondContact CG2-OH 3.44Å; Y75-W92 HydrophobicContact CD1-CE3 4.47Å; Y75-W92 HydrophobicContact CD2-CZ3 4.42Å; Y75-W92 HydrophobicContact CG-CE3 4.09Å; Y75-W92 HydrophobicContact CG-CZ3 4.14Å
76	C	96.6	Very high	87.5	Confident	17 Å²	17	53.3 Å²	53.3	12%	0.115	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.4	155.3	60	0	0	0	0	109.5	C2 I14 E15 W16 G93	C2-C76 HydrophobicContact CB-CB 3.43Å; C2-C76 VanDerWaalsContact CB-CB 3.43Å; C2-C76 WeakPolarHBondContact CB-SG 3.26Å; C2-C76 WeakPolarHBondContact SG-CB 3.47Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 2.98Å; I14-C76 HydrophobicContact CG2-CB 4.38Å; E15-C76 CarbonylContact O-C 3.42Å; E15-C76 WeakPolarHBondContact O-CA 3.09Å; W16-C76 HydrophobicContact CE3-CB 4.13Å; W16-C76 HydrophobicContact CH2-CB 4.24Å; W16-C76 HydrophobicContact CZ3-CB 3.9Å; C76-G93 PolarHBondContact O-N 3.03Å
77	A	95.4	Very high	86	Confident	4 Å²	4	55.1 Å²	55.1	3%	0.033	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	174.5	169.6	0	0	0	0	0	109.8	E15 F89 Y91 W92	E15-A77 HydrophobicContact CB-CB 4.09Å; E15-A77 PolarHBondContact N-O 2.98Å; E15-A77 PolarHBondContact O-N 3.31Å; A77-F89 HydrophobicContact CB-CB 4.05Å; A77-F89 HydrophobicContact CB-CD1 4.3Å; A77-F89 HydrophobicContact CB-CD2 4.32Å; A77-F89 HydrophobicContact CB-CG 3.96Å; A77-Y91 CarbonylContact C-O 3.57Å; A77-Y91 WeakPolarHBondContact CA-O 3.48Å; A77-Y91 WeakPolarHBondContact CB-O 3.25Å; A77-W92 HydrophobicContact CB-CD2 3.75Å; A77-W92 HydrophobicContact CB-CE3 3.97Å; A77-W92 HydrophobicContact CB-CG 4.09Å; A77-W92 HydrophobicContact CB-CZ3 4.42Å
78	R	92.8	Very high	84.8	Confident	48 Å²	48	59.5 Å²	59.5	18%	0.181	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.4	174.9	77.2	-179.1	-174.5	-168.9	-2.5	112.7	Y12 W13 I14 F89 D90 Y91	Y12-R78 HydrophobicContact CD1-CB 4.39Å; Y12-R78 HydrophobicContact CD1-CG 4.14Å; W13-R78 VanDerWaalsContact O-CA 3.22Å; W13-R78 WeakPolarHBondContact O-CA 3.44Å; I14-R78 HydrophobicContact CD1-CB 4.37Å; R78-F89 WeakPolarHBondContact O-CA 3.46Å; R78-D90 HydrophobicContact CG-CB 4.41Å; R78-D90 PolarHBondContact O-N 3.39Å; R78-Y91 PolarHBondContact N-O 3.28Å; R78-Y91 VanDerWaalsContact N-O 3.08Å
79	S	92	Very high	84.3	Confident	3 Å²	3	58 Å²	58	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.3	169.6	64.5	0	0	0	0	110.5	Y12 W13 E15 Y88	Y12-S79 CarbonylContact C-O 3.46Å; Y12-S79 VanDerWaalsContact CA-O 3.28Å; Y12-S79 WeakPolarHBondContact CA-O 3.48Å; Y12-S79 WeakPolarHBondContact CB-O 3.46Å; Y12-S79 WeakPolarHBondContact CD1-O 3.46Å; W13-S79 WeakPolarHBondContact CB-OG 3.22Å; W13-S79 PolarHBondContact N-O 2.86Å; W13-S79 PolarHBondContact O-N 2.8Å; W13-S79 VanDerWaalsContact O-N 3.13Å; E15-S79 PolarHBondContact OE1-OG 2.83Å; S79-Y88 VanDerWaalsContact CB-O 3.31Å; S79-Y88 WeakPolarHBondContact CB-O 3.31Å
80	P	88.8	Confident	83.9	Confident	44 Å²	44	54.7 Å²	54.7	29%	0.286	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	145.5	-177.7	-23.3	33.7	0	0	0	113.9	Y12 G82 S83 D90	Y12-P80 HydrophobicContact CD1-CB 4.43Å; Y12-P80 HydrophobicContact CD1-CG 4.4Å; Y12-P80 HydrophobicContact CE1-CB 4.17Å; Y12-P80 HydrophobicContact CE1-CG 3.96Å; P80-G82 PolarHBondContact O-N 3.27Å; P80-G82 VanDerWaalsContact O-N 3.09Å; P80-S83 PolarHBondContact O-N 3.48Å; P80-S83 VanDerWaalsContact O-N 3.17Å; P80-S83 PolarHBondContact O-OG 2.76Å; P80-D90 WeakPolarHBondContact CD-OD2 3.37Å; P80-D90 WeakPolarHBondContact CG-OD2 3.44Å
81	Y	79.6	Confident	83.6	Confident	162 Å²	162	60.7 Å²	60.7	64%	0.635	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	113.9	169.5	179.6	-114.8	0	0	0	110.4	G11 L32	G11-Y81 WeakPolarHBondContact O-CB 3.43Å; G11-Y81 PolarHBondContact O-N 3.18Å; L32-Y81 HydrophobicContact CD1-CD2 3.9Å; L32-Y81 HydrophobicContact CD1-CG 4.43Å; L32-Y81 HydrophobicContact CD2-CD2 3.28Å; L32-Y81 HydrophobicContact CD2-CE2 3.28Å; L32-Y81 HydrophobicContact CD2-CG 4.34Å; L32-Y81 HydrophobicContact CG-CD2 4.26Å
82	G	77.3	Confident	83.5	Confident	73 Å²	73	63 Å²	63	75%	0.753	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.7	-10.2	-176.9	0	0	0	0	0	114.7	P80	P80-G82 PolarHBondContact O-N 3.27Å; P80-G82 VanDerWaalsContact O-N 3.09Å
83	S	71.4	Confident	83.4	Confident	39 Å²	39	63.5 Å²	63.5	27%	0.273	35%	0.351	S	S	.	.	S	Bend	trans	-69.8	146.4	163.8	52.3	0	0	0	0	110	P80	P80-S83 PolarHBondContact O-N 3.48Å; P80-S83 VanDerWaalsContact O-N 3.17Å; P80-S83 PolarHBondContact O-OG 2.76Å
84	S	66.6	Low	83.3	Confident	80 Å²	80	69.2 Å²	69.2	56%	0.559	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-63.3	149.9	170.2	-34.6	0	0	0	0	109.5	G86 V87	S84-G86 PolarHBondContact O-N 3.11Å; S84-V87 VanDerWaalsContact O-CG2 3.24Å; S84-V87 WeakPolarHBondContact O-CG2 3.23Å; S84-V87 PolarHBondContact O-N 3.27Å
85	P	58.6	Low	83.2	Confident	98 Å²	98	70.2 Å²	70.2	64%	0.636	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	130.3	-179.5	-23.4	32.4	0	0	0	111.3	V87	P85-V87 PolarHBondContact O-N 3.4Å
86	G	58.9	Low	83.2	Confident	57 Å²	57	73 Å²	73	59%	0.588	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	11.8	173.8	0	0	0	0	0	117.2	S84	S84-G86 PolarHBondContact O-N 3.11Å
87	V	62.9	Low	83.3	Confident	102 Å²	102	76.8 Å²	76.8	62%	0.618	43%	0.434	S	S	*	.	S	Bend	trans	-83.1	-34.7	-174.5	-173.9	0	0	0	0	113.2	S84 P85	S84-V87 VanDerWaalsContact O-CG2 3.24Å; S84-V87 WeakPolarHBondContact O-CG2 3.23Å; S84-V87 PolarHBondContact O-N 3.27Å; P85-V87 PolarHBondContact O-N 3.4Å
88	Y	70.7	Confident	83.3	Confident	156 Å²	156	79.1 Å²	79.1	61%	0.612	45%	0.446	S	S	*	.			trans	-164.7	135.1	178.6	-167.9	-103.9	0	0	0	112.4	S79 D90	S79-Y88 VanDerWaalsContact CB-O 3.31Å; S79-Y88 WeakPolarHBondContact CB-O 3.31Å; Y88-D90 WeakPolarHBondContact CD1-OD1 3.41Å; Y88-D90 WeakPolarHBondContact CE1-OD1 3.44Å
89	F	83.8	Confident	83.5	Confident	49 Å²	49	82 Å²	82	22%	0.215	47%	0.468	C	S	.	.			trans	-106.2	112.7	171.9	-59.5	-40.2	0	0	0	109.8	E15 V17 A77 R78 Y91 W92	E15-F89 HydrophobicContact CB-CD1 4.31Å; E15-F89 HydrophobicContact CB-CE1 3.88Å; E15-F89 HydrophobicContact CB-CZ 4.28Å; E15-F89 HydrophobicContact CG-CD1 3.76Å; E15-F89 HydrophobicContact CG-CE1 3.41Å; E15-F89 VanDerWaalsContact CG-CE1 3.41Å; E15-F89 HydrophobicContact CG-CZ 4.26Å; E15-F89 WeakPolarHBondContact OE1-CE1 3.42Å; V17-F89 HydrophobicContact CG2-CE2 4.39Å; A77-F89 HydrophobicContact CB-CB 4.05Å; A77-F89 HydrophobicContact CB-CD1 4.3Å; A77-F89 HydrophobicContact CB-CD2 4.32Å; A77-F89 HydrophobicContact CB-CG 3.96Å; R78-F89 WeakPolarHBondContact O-CA 3.46Å; F89-Y91 VanDerWaalsContact C-N 3.32Å; F89-Y91 PolarHBondContact O-N 2.8Å; F89-W92 HydrophobicContact CB-CZ2 4.44Å; F89-W92 AromaticContact CD2-CE2 3.7Å; F89-W92 AromaticContact CD2-CH2 3.97Å; F89-W92 HydrophobicContact CD2-CH2 3.97Å; F89-W92 AromaticContact CD2-CZ2 3.24Å; F89-W92 HydrophobicContact CD2-CZ2 3.24Å; F89-W92 AromaticContact CD2-NE1 3.95Å; F89-W92 HydrophobicContact CE2-CH2 4.07Å; F89-W92 AromaticContact CE2-CZ2 3.77Å; F89-W92 HydrophobicContact CE2-CZ2 3.77Å; F89-W92 HydrophobicContact CG-CZ2 4.22Å
90	D	82.6	Confident	83.7	Confident	66 Å²	66	83.3 Å²	83.3	35%	0.353	48%	0.476	S	S	.	.	S	Bend	trans	-71.3	-29.9	-175.4	-65	-28.6	0	0	0	112.7	R78 P80 Y88	R78-D90 HydrophobicContact CG-CB 4.41Å; R78-D90 PolarHBondContact O-N 3.39Å; P80-D90 WeakPolarHBondContact CD-OD2 3.37Å; P80-D90 WeakPolarHBondContact CG-OD2 3.44Å; Y88-D90 WeakPolarHBondContact CD1-OD1 3.41Å; Y88-D90 WeakPolarHBondContact CE1-OD1 3.44Å
91	Y	89.8	Confident	83.9	Confident	130 Å²	130	86 Å²	86	51%	0.51	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	144.5	-175.3	-176.3	-94.6	0	0	0	110.8	A77 R78 F89	A77-Y91 CarbonylContact C-O 3.57Å; A77-Y91 WeakPolarHBondContact CA-O 3.48Å; A77-Y91 WeakPolarHBondContact CB-O 3.25Å; R78-Y91 PolarHBondContact N-O 3.28Å; R78-Y91 VanDerWaalsContact N-O 3.08Å; F89-Y91 VanDerWaalsContact C-N 3.32Å; F89-Y91 PolarHBondContact O-N 2.8Å
92	W	94.6	Very high	84.2	Confident	81 Å²	81	86.7 Å²	86.7	31%	0.307	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.1	177.2	-71.3	77	0	0	0	110.4	V17 L25 Y75 A77 F89	V17-W92 HydrophobicContact CB-CH2 4.07Å; V17-W92 HydrophobicContact CB-CZ3 3.82Å; V17-W92 HydrophobicContact CG1-CH2 3.99Å; V17-W92 HydrophobicContact CG1-CZ3 4.05Å; V17-W92 HydrophobicContact CG2-CH2 3.83Å; V17-W92 HydrophobicContact CG2-CZ3 3.9Å; L25-W92 HydrophobicContact CD1-CH2 3.83Å; L25-W92 HydrophobicContact CD1-CZ2 4.22Å; L25-W92 HydrophobicContact CD2-CH2 4.29Å; L25-W92 HydrophobicContact CD2-CZ3 4.39Å; Y75-W92 HydrophobicContact CD1-CE3 4.47Å; Y75-W92 HydrophobicContact CD2-CZ3 4.42Å; Y75-W92 HydrophobicContact CG-CE3 4.09Å; Y75-W92 HydrophobicContact CG-CZ3 4.14Å; A77-W92 HydrophobicContact CB-CD2 3.75Å; A77-W92 HydrophobicContact CB-CE3 3.97Å; A77-W92 HydrophobicContact CB-CG 4.09Å; A77-W92 HydrophobicContact CB-CZ3 4.42Å; F89-W92 HydrophobicContact CB-CZ2 4.44Å; F89-W92 AromaticContact CD2-CE2 3.7Å; F89-W92 AromaticContact CD2-CH2 3.97Å; F89-W92 HydrophobicContact CD2-CH2 3.97Å; F89-W92 AromaticContact CD2-CZ2 3.24Å; F89-W92 HydrophobicContact CD2-CZ2 3.24Å; F89-W92 AromaticContact CD2-NE1 3.95Å; F89-W92 HydrophobicContact CE2-CH2 4.07Å; F89-W92 AromaticContact CE2-CZ2 3.77Å; F89-W92 HydrophobicContact CE2-CZ2 3.77Å; F89-W92 HydrophobicContact CG-CZ2 4.22Å
93	G	95.2	Very high	84.5	Confident	18 Å²	18	87.4 Å²	87.4	19%	0.186	51%	0.513	C	S	.	.			trans	-67	161.9	164.2	0	0	0	0	0	111.3	C76 G95	C76-G93 PolarHBondContact O-N 3.03Å; G93-G95 PolarHBondContact O-N 2.91Å
94	Q	95.8	Very high	85.2	Confident	177 Å²	177	89.9 Å²	89.9	83%	0.827	53%	0.526	S	S	*	.			trans	-62.8	-15	-179.7	-65.6	-63.2	-41.9	0	0	114.1
95	G	96.8	Very high	86.2	Confident	32 Å²	32	90.5 Å²	90.5	33%	0.33	52%	0.524	S	S	.	.			trans	84	159.2	-173.5	0	0	0	0	0	112.6	Y74 G93	Y74-G95 CarbonylContact O-C 3.5Å; Y74-G95 WeakPolarHBondContact O-CA 3.37Å; G93-G95 PolarHBondContact O-N 2.91Å
96	T	97.6	Very high	87.9	Confident	96 Å²	96	90.1 Å²	90.1	59%	0.589	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	132.2	173.5	-169.6	0	0	0	0	109.5	I73 Y74	I73-T96 WeakPolarHBondContact CA-O 3.46Å; Y74-T96 PolarHBondContact N-O 3.09Å; Y74-T96 PolarHBondContact O-N 2.63Å
97	T	97.7	Very high	89.7	Confident	97 Å²	97	92.1 Å²	92.1	60%	0.595	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	129	175.2	-54.8	0	0	0	0	109.4
98	L	96.4	Very high	91.5	Very high	54 Å²	54	91.5 Å²	91.5	28%	0.283	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.9	167.4	178.7	67.7	0	0	0	107.6	L63 L66 S71 A72 Y74 V100	L63-L98 HydrophobicContact CD1-CD2 3.98Å; L66-L98 HydrophobicContact CD1-CD2 4Å; L66-L98 HydrophobicContact CD2-CD2 4.45Å; S71-L98 CarbonylContact C-O 3.59Å; S71-L98 VanDerWaalsContact CA-O 3.26Å; S71-L98 WeakPolarHBondContact CA-O 3.3Å; A72-L98 PolarHBondContact N-O 2.62Å; A72-L98 PolarHBondContact O-N 3.19Å; Y74-L98 HydrophobicContact CD2-CB 3.72Å; Y74-L98 HydrophobicContact CD2-CD2 4.28Å; Y74-L98 HydrophobicContact CE2-CB 3.65Å; Y74-L98 HydrophobicContact CE2-CD2 3.65Å; Y74-L98 HydrophobicContact CE2-CG 4.23Å; L98-V100 HydrophobicContact CG-CG2 4.4Å
99	T	96.6	Very high	92.9	Very high	108 Å²	108	86.9 Å²	86.9	66%	0.663	50%	0.499	S	S	*	.			trans	-117.5	129.3	176.1	-56.3	0	0	0	0	108.7
100	V	95.7	Very high	93.6	Very high	30 Å²	30	89.8 Å²	89.8	18%	0.182	52%	0.521	C	S	.	.			trans	-118.7	121.1	176.1	-174.6	0	0	0	0	107.4	L66 T67 D70 S71 L98	L66-V100 HydrophobicContact CB-CG1 4.34Å; L66-V100 HydrophobicContact CB-CG2 4.05Å; L66-V100 HydrophobicContact CD1-CG2 4.2Å; T67-V100 WeakPolarHBondContact O-CB 3.43Å; T67-V100 WeakPolarHBondContact O-CG1 3.36Å; D70-V100 HydrophobicContact CB-CG2 4.5Å; S71-V100 PolarHBondContact OG-N 3.3Å; S71-V100 PolarHBondContact OG-O 2.85Å; L98-V100 HydrophobicContact CG-CG2 4.4Å
101	S	93.3	Very high	94.6	Very high	101 Å²	101	91.8 Å²	91.8	71%	0.706	54%	0.535	S	S	*	.			trans	-117.6	152.1	176.5	57.8	0	0	0	0	110.4
102	S	85.4	Confident	95	Very high	177 Å²	177	88.3 Å²	88.3	100%	1.238	54%	0.537	S	S	*	.			trans	-73.2	0	172.7	58.2	0	0	0	0	112.8

Retrieved 102 of 102 residues in 29.2 ms (Link to these results)

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