X5J4C9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4C9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4C9_MOUSE|X5J4C9
PGLVKPSQSLFLTCSITGFPITSGYYWIWIRQSPGKPLEWMGYITHSGETFYNPSLQSPISITRETSKNQFFLQLNSVTTEDTAMYYCAGDSDGYYYFDYWGQGTTLTVSS
					

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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	P	56.4	Low	78.9	Confident	107 Å²	107	82.1 Å²	82.1	70%	0.695	47%	0.472	S	S	*	.				0	138.1	0	-39.2	39.4	0	0	0	108.8	L12 T105	P1-L12 HydrophobicContact CB-CD2 4.38Å; P1-L12 HydrophobicContact CG-CD2 4.13Å; P1-T105 WeakPolarHBondContact CB-OG1 3.45Å; P1-T105 WeakPolarHBondContact CD-OG1 3.38Å; P1-T105 HydrophobicContact CG-CG2 4.09Å; P1-T105 WeakPolarHBondContact CG-OG1 3.45Å
2	G	69.3	Low	80.1	Confident	46 Å²	46	75.6 Å²	75.6	47%	0.474	43%	0.434	S	S	.	.			trans	-124.8	-170.7	-165.7	0	0	0	0	0	112.5	V4	G2-V4 PolarHBondContact O-N 3Å
3	L	73	Confident	81.3	Confident	125 Å²	125	75.5 Å²	75.5	65%	0.654	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	121.8	177.7	-165	69.3	0	0	0	110.6	T108 S110	L3-T108 WeakPolarHBondContact CA-O 3.45Å; L3-T108 HydrophobicContact CD1-CG2 3.82Å; L3-S110 WeakPolarHBondContact CD1-OG 3.34Å
4	V	79.8	Confident	82.3	Confident	22 Å²	22	71.2 Å²	71.2	13%	0.133	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.2	176.8	-61.2	0	0	0	0	111.4	G2 L10 V78 L107 T108 V109 S110	G2-V4 PolarHBondContact O-N 3Å; V4-L10 HydrophobicContact CG1-CD1 4.34Å; V4-V78 HydrophobicContact CG2-CG2 4Å; V4-L107 HydrophobicContact CG1-CD1 4.31Å; V4-L107 HydrophobicContact CG2-CD1 3.77Å; V4-T108 PolarHBondContact N-O 2.75Å; V4-V109 HydrophobicContact CG2-CB 4.24Å; V4-V109 HydrophobicContact CG2-CG1 4.28Å; V4-V109 HydrophobicContact CG2-CG2 3.66Å; V4-V109 WeakPolarHBondContact O-CA 3.35Å; V4-S110 PolarHBondContact O-N 3.1Å
5	K	80.1	Confident	83.1	Confident	141 Å²	141	71.1 Å²	71.1	61%	0.613	42%	0.417	S	S	*	.			trans	-83.8	151.4	175.4	-69	-174.6	178.9	-175.7	0	110.3
6	P	79.8	Confident	83.7	Confident	51 Å²	51	67.7 Å²	67.7	33%	0.331	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	156.2	174.1	-24.4	33.9	0	0	0	112.9	Q8 V78 V109 S110	P6-Q8 PolarHBondContact O-N 3.3Å; P6-V78 CarbonylContact C-O 3.59Å; P6-V78 VanDerWaalsContact CA-O 3.3Å; P6-V78 WeakPolarHBondContact CA-O 3.35Å; P6-V109 HydrophobicContact CG-CG1 4.22Å; P6-S110 WeakPolarHBondContact CD-O 3.4Å
7	S	80.3	Confident	84.1	Confident	99 Å²	99	70.8 Å²	70.8	69%	0.692	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	6.7	178.1	-50.8	0	0	0	0	115.7	V78	S7-V78 PolarHBondContact N-O 2.86Å
8	Q	83.1	Confident	84.2	Confident	98 Å²	98	71.7 Å²	71.7	46%	0.458	44%	0.444	S	S	.	.			trans	-83.4	151.7	170.4	-66.4	-174.1	-32.4	0	0	111	P6 S77 V78	P6-Q8 PolarHBondContact O-N 3.3Å; Q8-S77 PolarHBondContact O-N 2.98Å; Q8-V78 WeakPolarHBondContact O-CG2 3.36Å; Q8-V78 PolarHBondContact O-N 2.86Å
9	S	86.9	Confident	84.5	Confident	66 Å²	66	70.2 Å²	70.2	46%	0.462	43%	0.43	S	S	.	.			trans	-91.1	136.5	166.5	-64.5	0	0	0	0	109.6	L75 N76	S9-L75 VanDerWaalsContact CA-O 3.28Å; S9-L75 WeakPolarHBondContact CA-O 3.15Å; S9-N76 PolarHBondContact OG-OD1 2.99Å
10	L	88.4	Confident	84.8	Confident	34 Å²	34	70.3 Å²	70.3	18%	0.178	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.7	179.4	-176	73	0	0	0	110.3	V4 L12 Q74 L75 V78 L107	V4-L10 HydrophobicContact CG1-CD1 4.34Å; L10-L12 HydrophobicContact CD2-CD2 3.76Å; L10-L12 HydrophobicContact CD2-CG 4.34Å; L10-L12 HydrophobicContact CG-CD2 4.29Å; L10-Q74 CarbonylContact O-C 3.47Å; L10-Q74 WeakPolarHBondContact O-CA 3.38Å; L10-L75 PolarHBondContact N-O 3.22Å; L10-L75 PolarHBondContact O-N 3.06Å; L10-V78 HydrophobicContact CB-CG1 4.34Å; L10-L107 HydrophobicContact CD2-CD1 3.35Å; L10-L107 HydrophobicContact CD2-CD2 3.51Å; L10-L107 HydrophobicContact CD2-CG 4.01Å
11	F	90.9	Very high	85.2	Confident	114 Å²	114	67 Å²	67	50%	0.5	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.4	171.6	-62.8	-91.9	0	0	0	109.6	L73 Q74	F11-L73 CarbonylContact C-O 3.42Å; F11-L73 WeakPolarHBondContact CA-O 3.3Å; F11-Q74 HydrophobicContact CD1-CB 3.8Å; F11-Q74 HydrophobicContact CD1-CG 3.97Å; F11-Q74 HydrophobicContact CE1-CB 3.65Å; F11-Q74 HydrophobicContact CE1-CG 3.45Å; F11-Q74 VanDerWaalsContact CE1-CG 3.45Å; F11-Q74 HydrophobicContact CZ-CB 4.45Å; F11-Q74 VanDerWaalsContact CZ-CD 3.46Å; F11-Q74 HydrophobicContact CZ-CG 3.76Å
12	L	93.9	Very high	86.9	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.021	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.5	167.3	-56.7	-179	0	0	0	108.7	P1 L10 W29 F72 L73 Y86 T105	P1-L12 HydrophobicContact CB-CD2 4.38Å; P1-L12 HydrophobicContact CG-CD2 4.13Å; L10-L12 HydrophobicContact CD2-CD2 3.76Å; L10-L12 HydrophobicContact CD2-CG 4.34Å; L10-L12 HydrophobicContact CG-CD2 4.29Å; L12-W29 HydrophobicContact CB-CH2 3.68Å; L12-W29 HydrophobicContact CB-CZ2 4.24Å; L12-W29 HydrophobicContact CB-CZ3 4.12Å; L12-W29 HydrophobicContact CD1-CZ3 4.3Å; L12-F72 CarbonylContact O-C 3.48Å; L12-F72 WeakPolarHBondContact O-CA 3.45Å; L12-L73 HydrophobicContact CB-CB 4.32Å; L12-L73 HydrophobicContact CD1-CD2 4.25Å; L12-L73 PolarHBondContact N-O 2.84Å; L12-L73 PolarHBondContact O-N 3.27Å; L12-Y86 HydrophobicContact CD1-CD1 3.63Å; L12-Y86 HydrophobicContact CD1-CD2 4Å; L12-Y86 HydrophobicContact CD1-CE1 4.34Å; L12-Y86 HydrophobicContact CD1-CG 3.42Å; L12-Y86 VanDerWaalsContact CD1-CG 3.42Å; L12-T105 HydrophobicContact CD1-CG2 4.31Å; L12-T105 HydrophobicContact CD2-CG2 4.11Å
13	T	95.4	Very high	87.7	Confident	74 Å²	74	64.5 Å²	64.5	45%	0.454	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.7	-178.1	-54.6	0	0	0	0	109.7	Q70 F72	T13-Q70 HydrophobicContact CG2-CB 4.25Å; T13-Q70 HydrophobicContact CG2-CG 3.97Å; T13-F72 HydrophobicContact CG2-CD1 3.79Å; T13-F72 HydrophobicContact CG2-CE1 3.43Å; T13-F72 VanDerWaalsContact CG2-CE1 3.43Å; T13-F72 HydrophobicContact CG2-CZ 4.29Å; T13-F72 VanDerWaalsContact OG1-CD1 3.27Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.24Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.03Å
14	C	95.3	Very high	88.4	Confident	16 Å²	16	60.2 Å²	60.2	11%	0.108	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.9	166.4	-173.3	0	0	0	0	109.6	W29 Q70 F71 C88	C14-W29 HydrophobicContact CB-CH2 4.1Å; C14-W29 HydrophobicContact CB-CZ2 3.98Å; C14-Q70 VanDerWaalsContact O-CA 3.29Å; C14-Q70 WeakPolarHBondContact O-CA 3.2Å; C14-F71 HydrophobicContact CB-CD1 3.86Å; C14-F71 HydrophobicContact CB-CE1 3.48Å; C14-F71 VanDerWaalsContact CB-CE1 3.48Å; C14-F71 HydrophobicContact CB-CE2 4.34Å; C14-F71 HydrophobicContact CB-CG 4.45Å; C14-F71 HydrophobicContact CB-CZ 3.79Å; C14-F71 PolarHBondContact N-O 3.5Å; C14-F71 PolarHBondContact O-N 2.77Å; C14-F71 WeakPolarHBondContact SG-CE1 3.17Å; C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.27Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.39Å
15	S	94.9	Very high	88.9	Confident	69 Å²	69	61.1 Å²	61.1	48%	0.483	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.3	177.9	-55.7	0	0	0	0	109.6	Q70	S15-Q70 WeakPolarHBondContact OG-CG 3.43Å; S15-Q70 PolarHBondContact OG-NE2 2.79Å
16	I	92.1	Very high	89.4	Confident	17 Å²	17	57.3 Å²	57.3	9%	0.087	36%	0.357	C	S	.	.			trans	-90.7	139.5	177.9	-63.3	151.5	0	0	0	108.2	F19 I21 W27 N69 F71	I16-F19 HydrophobicContact CG2-CD2 4.31Å; I16-F19 HydrophobicContact CG2-CE2 4.08Å; I16-F19 HydrophobicContact CG2-CZ 4.22Å; I16-I21 HydrophobicContact CD1-CB 3.62Å; I16-I21 HydrophobicContact CD1-CD1 3.65Å; I16-I21 HydrophobicContact CD1-CG1 3.37Å; I16-W27 HydrophobicContact CB-CH2 4.35Å; I16-W27 HydrophobicContact CD1-CD2 3.58Å; I16-W27 VanDerWaalsContact CD1-CE2 3.47Å; I16-W27 HydrophobicContact CD1-CE3 3.7Å; I16-W27 HydrophobicContact CD1-CG 4.31Å; I16-W27 HydrophobicContact CD1-CH2 3.52Å; I16-W27 HydrophobicContact CD1-CZ2 3.45Å; I16-W27 VanDerWaalsContact CD1-CZ2 3.45Å; I16-W27 HydrophobicContact CD1-CZ3 3.68Å; I16-W27 HydrophobicContact CG1-CD2 4.43Å; I16-W27 HydrophobicContact CG1-CE3 4.06Å; I16-W27 HydrophobicContact CG1-CH2 3.72Å; I16-W27 HydrophobicContact CG1-CZ2 4.17Å; I16-W27 HydrophobicContact CG1-CZ3 3.69Å; I16-W27 HydrophobicContact CG2-CH2 3.67Å; I16-W27 HydrophobicContact CG2-CZ2 4.22Å; I16-W27 HydrophobicContact CG2-CZ3 4.32Å; I16-N69 PolarHBondContact N-O 2.87Å; I16-N69 PolarHBondContact O-ND2 2.76Å; I16-F71 HydrophobicContact CD1-CD1 3.95Å; I16-F71 HydrophobicContact CD1-CE1 4.16Å; I16-F71 HydrophobicContact CG1-CD1 4.39Å; I16-F71 HydrophobicContact CG1-CE1 4.28Å
17	T	89.6	Confident	90.1	Very high	120 Å²	120	55.2 Å²	55.2	74%	0.736	34%	0.342	S	S	*	.			trans	-126.3	151.7	179.1	60	0	0	0	0	109.5	F19	T17-F19 VanDerWaalsContact C-N 3.33Å; T17-F19 PolarHBondContact O-N 2.98Å
18	G	87.3	Confident	90.8	Very high	88 Å²	88	50.9 Å²	50.9	91%	0.907	31%	0.311	S	S	*	.	S	Bend	trans	89.3	-26.3	178.4	0	0	0	0	0	115.5
19	F	88.8	Confident	91.4	Very high	43 Å²	43	46.4 Å²	46.4	19%	0.189	29%	0.29	C	S	.	.	S	Bend	trans	-158.3	162.9	178.8	55	-86.9	0	0	0	112.7	I16 T17 Y25 W27 N69 Y100	I16-F19 HydrophobicContact CG2-CD2 4.31Å; I16-F19 HydrophobicContact CG2-CE2 4.08Å; I16-F19 HydrophobicContact CG2-CZ 4.22Å; T17-F19 VanDerWaalsContact C-N 3.33Å; T17-F19 PolarHBondContact O-N 2.98Å; F19-Y25 HydrophobicContact CD2-CD2 4.1Å; F19-Y25 AromaticContact CD2-CE2 3.77Å; F19-Y25 HydrophobicContact CD2-CE2 3.77Å; F19-Y25 AromaticContact CE2-CD2 3.4Å; F19-Y25 HydrophobicContact CE2-CD2 3.4Å; F19-Y25 AromaticContact CE2-CE2 3.21Å; F19-Y25 HydrophobicContact CE2-CE2 3.21Å; F19-Y25 HydrophobicContact CE2-CG 4.19Å; F19-Y25 AromaticContact CE2-CZ 3.87Å; F19-Y25 HydrophobicContact CZ-CD2 4.15Å; F19-Y25 HydrophobicContact CZ-CE1 4.42Å; F19-Y25 AromaticContact CZ-CE2 3.74Å; F19-Y25 HydrophobicContact CZ-CE2 3.74Å; F19-Y25 AromaticContact CZ-CZ 3.89Å; F19-W27 HydrophobicContact CD2-CH2 4.44Å; F19-W27 AromaticContact CE2-CH2 3.36Å; F19-W27 HydrophobicContact CE2-CH2 3.36Å; F19-W27 AromaticContact CE2-CZ2 3.7Å; F19-W27 HydrophobicContact CE2-CZ2 3.7Å; F19-W27 AromaticContact CZ-CH2 3.68Å; F19-W27 HydrophobicContact CZ-CH2 3.68Å; F19-W27 HydrophobicContact CZ-CZ2 4.46Å; F19-N69 PolarHBondContact O-ND2 3.2Å; F19-Y100 HydrophobicContact CE1-CD2 4.38Å; F19-Y100 HydrophobicContact CE1-CE1 4.21Å; F19-Y100 AromaticContact CE1-CE2 3.82Å; F19-Y100 HydrophobicContact CE1-CE2 3.82Å; F19-Y100 AromaticContact CE1-CZ 3.72Å; F19-Y100 AromaticContact CZ-CD2 3.96Å; F19-Y100 HydrophobicContact CZ-CD2 3.96Å; F19-Y100 AromaticContact CZ-CE2 3.62Å; F19-Y100 HydrophobicContact CZ-CE2 3.62Å
20	P	91.9	Very high	91.8	Very high	72 Å²	72	43.5 Å²	43.5	47%	0.468	27%	0.27	S	S	.	.			trans	-65.4	143.1	176.9	-21.8	33.1	0	0	0	113.2	T22 S23 N69	P20-T22 PolarHBondContact O-N 2.73Å; P20-T22 VanDerWaalsContact O-N 3.09Å; P20-S23 WeakPolarHBondContact CD-OG 3.44Å; P20-S23 WeakPolarHBondContact O-CB 3.41Å; P20-S23 PolarHBondContact O-N 2.87Å; P20-S23 PolarHBondContact O-OG 3.23Å; P20-N69 WeakPolarHBondContact CA-OD1 3.2Å
21	I	92	Very high	92.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.1	174.4	-173.6	169	0	0	0	112.8	I16 S23 W27 R64 T66 N69 Q70 F71	I16-I21 HydrophobicContact CD1-CB 3.62Å; I16-I21 HydrophobicContact CD1-CD1 3.65Å; I16-I21 HydrophobicContact CD1-CG1 3.37Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-W27 HydrophobicContact CG1-CD2 4.48Å; I21-W27 HydrophobicContact CG1-CG 4.34Å; I21-W27 HydrophobicContact CG1-CZ2 4.46Å; I21-W27 PolarHBondContact O-NE1 3.4Å; I21-R64 HydrophobicContact CD1-CB 3.88Å; I21-T66 HydrophobicContact CG2-CG2 4.05Å; I21-N69 WeakPolarHBondContact CB-OD1 3.41Å; I21-N69 PolarHBondContact N-OD1 3.38Å; I21-Q70 VanDerWaalsContact CD1-O 3.29Å; I21-Q70 WeakPolarHBondContact CD1-O 3.47Å; I21-F71 HydrophobicContact CD1-CB 3.87Å; I21-F71 HydrophobicContact CD1-CD1 4.3Å
22	T	92.2	Very high	92.3	Very high	64 Å²	64	40.8 Å²	40.8	39%	0.393	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	1.2	174.9	55.7	0	0	0	0	113.2	P20 T66	P20-T22 PolarHBondContact O-N 2.73Å; P20-T22 VanDerWaalsContact O-N 3.09Å; T22-T66 HydrophobicContact CG2-CG2 3.73Å
23	S	86.9	Confident	92.2	Very high	37 Å²	37	41.3 Å²	41.3	26%	0.259	26%	0.26	S	S	.	.	S	Bend	trans	-66.7	141.2	168.9	-48.8	0	0	0	0	107.7	P20 I21 Y25 H46	P20-S23 WeakPolarHBondContact CD-OG 3.44Å; P20-S23 WeakPolarHBondContact O-CB 3.41Å; P20-S23 PolarHBondContact O-N 2.87Å; P20-S23 PolarHBondContact O-OG 3.23Å; I21-S23 VanDerWaalsContact C-N 3.34Å; S23-Y25 VanDerWaalsContact O-CD2 3.3Å; S23-Y25 WeakPolarHBondContact O-CD2 3.36Å; S23-Y25 PolarHBondContact O-N 3.4Å; S23-H46 WeakPolarHBondContact O-CB 3.26Å
24	G	87.4	Confident	92.1	Very high	36 Å²	36	42.8 Å²	42.8	37%	0.371	27%	0.272	S	S	.	.	S	Bend	trans	-54.8	68.9	-168.4	0	0	0	0	0	116.6	D93	G24-D93 WeakPolarHBondContact O-CB 3.29Å; G24-D93 PolarHBondContact O-N 2.88Å
25	Y	89.1	Confident	92	Very high	41 Å²	41	46.5 Å²	46.5	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.8	-178.6	-68.8	-87.9	0	0	0	109.9	F19 S23 W27 H46 D91 Y100	F19-Y25 HydrophobicContact CD2-CD2 4.1Å; F19-Y25 AromaticContact CD2-CE2 3.77Å; F19-Y25 HydrophobicContact CD2-CE2 3.77Å; F19-Y25 AromaticContact CE2-CD2 3.4Å; F19-Y25 HydrophobicContact CE2-CD2 3.4Å; F19-Y25 AromaticContact CE2-CE2 3.21Å; F19-Y25 HydrophobicContact CE2-CE2 3.21Å; F19-Y25 HydrophobicContact CE2-CG 4.19Å; F19-Y25 AromaticContact CE2-CZ 3.87Å; F19-Y25 HydrophobicContact CZ-CD2 4.15Å; F19-Y25 HydrophobicContact CZ-CE1 4.42Å; F19-Y25 AromaticContact CZ-CE2 3.74Å; F19-Y25 HydrophobicContact CZ-CE2 3.74Å; F19-Y25 AromaticContact CZ-CZ 3.89Å; S23-Y25 VanDerWaalsContact O-CD2 3.3Å; S23-Y25 WeakPolarHBondContact O-CD2 3.36Å; S23-Y25 PolarHBondContact O-N 3.4Å; Y25-W27 HydrophobicContact CD2-CH2 4.41Å; Y25-W27 HydrophobicContact CD2-CZ2 4.14Å; Y25-W27 HydrophobicContact CG-CH2 4.25Å; Y25-W27 HydrophobicContact CG-CZ2 4.09Å; Y25-H46 PolarHBondContact O-N 3.16Å; Y25-D91 CarbonylContact C-O 3.44Å; Y25-D91 WeakPolarHBondContact CA-O 3.42Å; Y25-Y100 HydrophobicContact CE1-CD2 4.12Å; Y25-Y100 AromaticContact CE1-CE2 3.65Å; Y25-Y100 HydrophobicContact CE1-CE2 3.65Å; Y25-Y100 AromaticContact CZ-CE2 3.87Å
26	Y	91.8	Very high	91.9	Very high	61 Å²	61	49.5 Å²	49.5	24%	0.239	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129	163	-56.3	-80.7	0	0	0	108.6	Y43 T45 G90 D91 D93	Y26-Y43 AromaticContact CD1-CD2 3.82Å; Y26-Y43 HydrophobicContact CD1-CD2 3.82Å; Y26-Y43 AromaticContact CD1-CE2 3.66Å; Y26-Y43 HydrophobicContact CD1-CE2 3.66Å; Y26-Y43 HydrophobicContact CE1-CE2 4.14Å; Y26-T45 HydrophobicContact CD1-CG2 3.75Å; Y26-T45 HydrophobicContact CE1-CG2 3.69Å; Y26-G90 WeakPolarHBondContact O-CA 3.18Å; Y26-D91 PolarHBondContact N-O 2.62Å; Y26-D91 PolarHBondContact O-N 2.68Å; Y26-D93 HydrophobicContact CE2-CB 4.02Å; Y26-D93 PolarHBondContact OH-OD1 3.09Å
27	W	94.1	Very high	92	Very high	6 Å²	6	53.8 Å²	53.8	2%	0.023	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114	-179.2	-58.9	110.1	0	0	0	109.9	I16 F19 I21 Y25 Y43 I44 F71	I16-W27 HydrophobicContact CB-CH2 4.35Å; I16-W27 HydrophobicContact CD1-CD2 3.58Å; I16-W27 VanDerWaalsContact CD1-CE2 3.47Å; I16-W27 HydrophobicContact CD1-CE3 3.7Å; I16-W27 HydrophobicContact CD1-CG 4.31Å; I16-W27 HydrophobicContact CD1-CH2 3.52Å; I16-W27 HydrophobicContact CD1-CZ2 3.45Å; I16-W27 VanDerWaalsContact CD1-CZ2 3.45Å; I16-W27 HydrophobicContact CD1-CZ3 3.68Å; I16-W27 HydrophobicContact CG1-CD2 4.43Å; I16-W27 HydrophobicContact CG1-CE3 4.06Å; I16-W27 HydrophobicContact CG1-CH2 3.72Å; I16-W27 HydrophobicContact CG1-CZ2 4.17Å; I16-W27 HydrophobicContact CG1-CZ3 3.69Å; I16-W27 HydrophobicContact CG2-CH2 3.67Å; I16-W27 HydrophobicContact CG2-CZ2 4.22Å; I16-W27 HydrophobicContact CG2-CZ3 4.32Å; F19-W27 HydrophobicContact CD2-CH2 4.44Å; F19-W27 AromaticContact CE2-CH2 3.36Å; F19-W27 HydrophobicContact CE2-CH2 3.36Å; F19-W27 AromaticContact CE2-CZ2 3.7Å; F19-W27 HydrophobicContact CE2-CZ2 3.7Å; F19-W27 AromaticContact CZ-CH2 3.68Å; F19-W27 HydrophobicContact CZ-CH2 3.68Å; F19-W27 HydrophobicContact CZ-CZ2 4.46Å; I21-W27 HydrophobicContact CG1-CD2 4.48Å; I21-W27 HydrophobicContact CG1-CG 4.34Å; I21-W27 HydrophobicContact CG1-CZ2 4.46Å; I21-W27 PolarHBondContact O-NE1 3.4Å; Y25-W27 HydrophobicContact CD2-CH2 4.41Å; Y25-W27 HydrophobicContact CD2-CZ2 4.14Å; Y25-W27 HydrophobicContact CG-CH2 4.25Å; Y25-W27 HydrophobicContact CG-CZ2 4.09Å; W27-Y43 CarbonylContact O-C 3.55Å; W27-Y43 WeakPolarHBondContact O-CA 3.45Å; W27-Y43 VanDerWaalsContact O-CB 3.32Å; W27-Y43 WeakPolarHBondContact O-CB 3.46Å; W27-I44 HydrophobicContact CB-CG2 3.81Å; W27-I44 PolarHBondContact N-O 3.04Å; W27-I44 PolarHBondContact O-N 3.31Å; W27-F71 HydrophobicContact CB-CD1 4.05Å; W27-F71 HydrophobicContact CB-CD2 3.98Å; W27-F71 HydrophobicContact CB-CE1 3.88Å; W27-F71 HydrophobicContact CB-CE2 3.83Å; W27-F71 HydrophobicContact CB-CG 4.07Å; W27-F71 HydrophobicContact CB-CZ 3.74Å; W27-F71 HydrophobicContact CD2-CE1 4.3Å; W27-F71 HydrophobicContact CE3-CE1 4.01Å; W27-F71 HydrophobicContact CE3-CZ 4.43Å; W27-F71 HydrophobicContact CG-CD1 4.33Å; W27-F71 HydrophobicContact CG-CE1 4.27Å
28	I	94.6	Very high	92.2	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.041	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.3	-157.7	-53.7	174.3	0	0	0	109.4	I30 W40 C88 A89 D91 F98	I28-I30 HydrophobicContact CG2-CD1 4.31Å; I28-I30 HydrophobicContact CG2-CG1 3.95Å; I28-W40 VanDerWaalsContact CG2-CD1 3.43Å; I28-C88 CarbonylContact O-C 3.53Å; I28-C88 VanDerWaalsContact O-CA 3.29Å; I28-C88 WeakPolarHBondContact O-CA 3.38Å; I28-A89 HydrophobicContact CB-CB 4.42Å; I28-A89 PolarHBondContact N-O 3Å; I28-A89 PolarHBondContact O-N 3.18Å; I28-D91 HydrophobicContact CD1-CB 3.64Å; I28-F98 HydrophobicContact CB-CE1 4.35Å; I28-F98 HydrophobicContact CD1-CD1 3.83Å; I28-F98 HydrophobicContact CD1-CE1 3.35Å; I28-F98 HydrophobicContact CD1-CZ 4.4Å; I28-F98 HydrophobicContact CG1-CE1 4.39Å; I28-F98 HydrophobicContact CG2-CE1 4.16Å
29	W	95.9	Very high	92.5	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.5	169.1	-79.2	104.4	0	0	0	110.6	L12 C14 M41 G42 F71 L73 Y87 C88	L12-W29 HydrophobicContact CB-CH2 3.68Å; L12-W29 HydrophobicContact CB-CZ2 4.24Å; L12-W29 HydrophobicContact CB-CZ3 4.12Å; L12-W29 HydrophobicContact CD1-CZ3 4.3Å; C14-W29 HydrophobicContact CB-CH2 4.1Å; C14-W29 HydrophobicContact CB-CZ2 3.98Å; W29-M41 HydrophobicContact CB-CB 4.26Å; W29-M41 WeakPolarHBondContact O-CB 3.33Å; W29-M41 PolarHBondContact O-N 3.13Å; W29-G42 PolarHBondContact N-O 3.38Å; W29-F71 AromaticContact CD1-CD2 3.89Å; W29-F71 AromaticContact CD1-CE2 3.68Å; W29-F71 HydrophobicContact CD2-CE2 4.33Å; W29-F71 AromaticContact CE2-CD2 3.96Å; W29-F71 AromaticContact CE2-CE2 3.72Å; W29-F71 HydrophobicContact CG-CE2 4.31Å; W29-F71 HydrophobicContact CZ2-CD2 4.41Å; W29-F71 HydrophobicContact CZ2-CE2 4.28Å; W29-F71 AromaticContact NE1-CD2 3.24Å; W29-F71 AromaticContact NE1-CE2 3.27Å; W29-F71 VanDerWaalsContact NE1-CE2 3.27Å; W29-L73 HydrophobicContact CB-CD2 4.3Å; W29-L73 HydrophobicContact CD2-CB 3.67Å; W29-L73 HydrophobicContact CD2-CD2 4.04Å; W29-L73 HydrophobicContact CD2-CG 4.4Å; W29-L73 VanDerWaalsContact CE2-CB 3.46Å; W29-L73 HydrophobicContact CE3-CB 4.28Å; W29-L73 HydrophobicContact CE3-CD2 4.14Å; W29-L73 HydrophobicContact CG-CB 3.91Å; W29-L73 HydrophobicContact CG-CD1 4.3Å; W29-L73 HydrophobicContact CG-CD2 4.12Å; W29-L73 HydrophobicContact CG-CG 4.35Å; W29-L73 HydrophobicContact CZ2-CB 3.92Å; W29-Y87 VanDerWaalsContact CE3-O 3.28Å; W29-C88 HydrophobicContact CE3-CB 4.34Å; W29-C88 HydrophobicContact CH2-CB 4.26Å; W29-C88 HydrophobicContact CZ3-CB 4.17Å
30	I	95.1	Very high	92.7	Very high	6 Å²	6	53 Å²	53	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.3	-177.9	-55.1	172.8	0	0	0	107.1	I28 L38 E39 Y86 Y87 A89 F98 W101	I28-I30 HydrophobicContact CG2-CD1 4.31Å; I28-I30 HydrophobicContact CG2-CG1 3.95Å; I30-L38 HydrophobicContact CG2-CB 3.9Å; I30-L38 HydrophobicContact CG2-CD2 4.06Å; I30-L38 HydrophobicContact CG2-CG 4.43Å; I30-E39 WeakPolarHBondContact CA-O 3.28Å; I30-Y86 CarbonylContact O-C 3.44Å; I30-Y86 WeakPolarHBondContact O-CA 3.47Å; I30-Y87 PolarHBondContact N-O 2.82Å; I30-Y87 PolarHBondContact O-N 2.77Å; I30-A89 HydrophobicContact CD1-CB 4.25Å; I30-F98 HydrophobicContact CD1-CE1 4.06Å; I30-F98 HydrophobicContact CD1-CZ 4.19Å; I30-W101 HydrophobicContact CD1-CH2 3.32Å; I30-W101 HydrophobicContact CD1-CZ2 3.94Å; I30-W101 HydrophobicContact CD1-CZ3 3.81Å
31	R	94.5	Very high	92.8	Very high	21 Å²	21	49.5 Å²	49.5	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	156.9	171.3	68.9	177.6	-175.9	-177.8	1.2	111.8	E39 M41 D82 A84 M85 Y86	R31-E39 HydrophobicContact CG-CB 4.15Å; R31-E39 IonicContact CZ-OE2 3.5Å; R31-E39 VanDerWaalsContact CZ-OE2 3.24Å; R31-E39 PolarHBondContact N-O 2.91Å; R31-E39 IonicContact NE-OE2 3.34Å; R31-E39 PolarHBondContact NE-OE2 2.93Å; R31-E39 IonicContact NH2-OE1 2.73Å; R31-E39 PolarHBondContact NH2-OE1 2.91Å; R31-E39 IonicContact NH2-OE2 3.9Å; R31-E39 PolarHBondContact NH2-OE2 2.89Å; R31-E39 PolarHBondContact O-N 3.17Å; R31-M41 HydrophobicContact CB-CG 4.27Å; R31-M41 HydrophobicContact CB-SD 3.66Å; R31-M41 HydrophobicContact CG-CG 3.89Å; R31-M41 HydrophobicContact CG-SD 3.72Å; R31-D82 IonicContact NH1-OD1 2.88Å; R31-D82 PolarHBondContact NH1-OD1 2.87Å; R31-A84 HydrophobicContact CB-CB 4.19Å; R31-M85 CarbonylContact C-O 3.57Å; R31-M85 VanDerWaalsContact CA-O 3.26Å; R31-M85 WeakPolarHBondContact CA-O 3.37Å; R31-Y86 HydrophobicContact CB-CD1 3.89Å; R31-Y86 HydrophobicContact CB-CE1 3.84Å; R31-Y86 HydrophobicContact CB-CG 4.4Å
32	Q	95.1	Very high	92.9	Very high	69 Å²	69	49.5 Å²	49.5	32%	0.322	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	103.5	176	-167.1	-179.6	19.4	0	0	109.6	K36 L38 A84 M85 Y87	Q32-K36 WeakPolarHBondContact CG-O 3.38Å; Q32-L38 HydrophobicContact CB-CD2 3.84Å; Q32-L38 HydrophobicContact CG-CD2 4.05Å; Q32-A84 WeakPolarHBondContact O-CA 3.44Å; Q32-A84 WeakPolarHBondContact O-CB 3.42Å; Q32-M85 HydrophobicContact CB-CB 4.43Å; Q32-M85 PolarHBondContact N-O 2.99Å; Q32-M85 PolarHBondContact O-N 2.91Å; Q32-Y87 HydrophobicContact CB-CE2 3.87Å; Q32-Y87 PolarHBondContact OE1-OH 2.92Å; Q32-Y87 VanDerWaalsContact OE1-OH 3.06Å
33	S	93.2	Very high	93	Very high	15 Å²	15	49 Å²	49	11%	0.105	28%	0.278	C	S	.	.			trans	-70.1	152.7	171.3	-51.2	0	0	0	0	110.4	G35 K36	S33-G35 PolarHBondContact O-N 3.02Å; S33-K36 PolarHBondContact O-N 3.29Å
34	P	92.6	Very high	93.5	Very high	106 Å²	106	47.5 Å²	47.5	69%	0.688	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	125.7	176.2	-26.4	34.8	0	0	0	112	K36 T83	P34-K36 PolarHBondContact O-N 2.84Å; P34-T83 WeakPolarHBondContact CD-O 3.31Å
35	G	93.3	Very high	93.7	Very high	93 Å²	93	46 Å²	46	96%	0.959	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	6.5	179.8	0	0	0	0	0	115.8	S33	S33-G35 PolarHBondContact O-N 3.02Å
36	K	92.9	Very high	93.8	Very high	132 Å²	132	47 Å²	47	57%	0.574	26%	0.256	S	S	*	.	S	Bend	trans	-109.7	156.5	177.2	-65.6	-165	-176.3	175.9	0	111.8	Q32 S33 P34	Q32-K36 WeakPolarHBondContact CG-O 3.38Å; S33-K36 PolarHBondContact O-N 3.29Å; P34-K36 PolarHBondContact O-N 2.84Å
37	P	93.3	Very high	93.7	Very high	107 Å²	107	47.2 Å²	47.2	70%	0.695	27%	0.267	S	S	*	.			trans	-65.3	170.9	170.6	29.7	-36.3	0	0	0	111.5	E39	P37-E39 PolarHBondContact O-N 2.76Å
38	L	93.6	Very high	93.7	Very high	89 Å²	89	48.3 Å²	48.3	47%	0.466	28%	0.28	S	S	.	.			trans	-61.5	133.1	170.1	-64.4	176.7	0	0	0	110.3	I30 Q32 Y87 W101	I30-L38 HydrophobicContact CG2-CB 3.9Å; I30-L38 HydrophobicContact CG2-CD2 4.06Å; I30-L38 HydrophobicContact CG2-CG 4.43Å; Q32-L38 HydrophobicContact CB-CD2 3.84Å; Q32-L38 HydrophobicContact CG-CD2 4.05Å; L38-Y87 HydrophobicContact CD2-CD2 4.21Å; L38-Y87 HydrophobicContact CD2-CE2 3.95Å; L38-W101 HydrophobicContact CD1-CH2 3.84Å; L38-W101 HydrophobicContact CD1-CZ3 4.32Å
39	E	93.5	Very high	93.6	Very high	56 Å²	56	53.6 Å²	53.6	26%	0.262	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.4	177	-174.5	-178.2	-164.1	0	0	108.9	I30 R31 P37	I30-E39 WeakPolarHBondContact CA-O 3.28Å; R31-E39 HydrophobicContact CG-CB 4.15Å; R31-E39 IonicContact CZ-OE2 3.5Å; R31-E39 VanDerWaalsContact CZ-OE2 3.24Å; R31-E39 PolarHBondContact N-O 2.91Å; R31-E39 IonicContact NE-OE2 3.34Å; R31-E39 PolarHBondContact NE-OE2 2.93Å; R31-E39 IonicContact NH2-OE1 2.73Å; R31-E39 PolarHBondContact NH2-OE1 2.91Å; R31-E39 IonicContact NH2-OE2 3.9Å; R31-E39 PolarHBondContact NH2-OE2 2.89Å; R31-E39 PolarHBondContact O-N 3.17Å; P37-E39 PolarHBondContact O-N 2.76Å
40	W	93.3	Very high	93.6	Very high	89 Å²	89	56 Å²	56	34%	0.337	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	131.2	172.2	170.4	71.5	0	0	0	109.9	I28 G42 Y43 N53	I28-W40 VanDerWaalsContact CG2-CD1 3.43Å; W40-G42 VanDerWaalsContact CZ2-CA 3.48Å; W40-G42 PolarHBondContact NE1-O 2.71Å; W40-Y43 AromaticContact CZ2-CD1 3.61Å; W40-Y43 HydrophobicContact CZ2-CD1 3.61Å; W40-Y43 AromaticContact CZ2-CE1 3.97Å; W40-Y43 HydrophobicContact CZ2-CE1 3.97Å; W40-Y43 AromaticContact NE1-CD1 3.98Å; W40-N53 HydrophobicContact CD2-CB 4.27Å; W40-N53 HydrophobicContact CE3-CB 3.43Å; W40-N53 VanDerWaalsContact CE3-CB 3.43Å; W40-N53 HydrophobicContact CH2-CB 4.19Å; W40-N53 HydrophobicContact CZ3-CB 3.41Å; W40-N53 VanDerWaalsContact CZ3-CB 3.41Å; W40-N53 WeakPolarHBondContact O-CB 3.1Å; W40-N53 PolarHBondContact O-ND2 3.03Å
41	M	94.6	Very high	93.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-38.5	-177.8	-60.2	-172.8	71.6	0	0	112.6	W29 R31 N53 L56 I60 L73 L75 Y86	W29-M41 HydrophobicContact CB-CB 4.26Å; W29-M41 WeakPolarHBondContact O-CB 3.33Å; W29-M41 PolarHBondContact O-N 3.13Å; R31-M41 HydrophobicContact CB-CG 4.27Å; R31-M41 HydrophobicContact CB-SD 3.66Å; R31-M41 HydrophobicContact CG-CG 3.89Å; R31-M41 HydrophobicContact CG-SD 3.72Å; M41-N53 WeakPolarHBondContact O-CB 3.04Å; M41-N53 PolarHBondContact O-N 3.18Å; M41-L56 HydrophobicContact CB-CD1 3.96Å; M41-L56 HydrophobicContact CE-CD1 4.46Å; M41-L56 HydrophobicContact CE-CD2 4.27Å; M41-L56 HydrophobicContact CG-CD2 4.34Å; M41-L56 WeakPolarHBondContact O-CD1 3.35Å; M41-I60 HydrophobicContact CB-CD1 4.01Å; M41-I60 HydrophobicContact CE-CD1 4.22Å; M41-I60 HydrophobicContact CE-CG2 3.92Å; M41-L73 HydrophobicContact CE-CD2 4.01Å; M41-L73 HydrophobicContact SD-CD2 3.89Å; M41-L75 HydrophobicContact CE-CD2 3.98Å; M41-Y86 HydrophobicContact CE-CE1 4Å; M41-Y86 HydrophobicContact SD-CD1 3.87Å; M41-Y86 HydrophobicContact SD-CE1 3.69Å
42	G	94.8	Very high	93.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.2	174.6	-173.7	0	0	0	0	0	111.2	W29 W40 F51 I62	W29-G42 PolarHBondContact N-O 3.38Å; W40-G42 VanDerWaalsContact CZ2-CA 3.48Å; W40-G42 PolarHBondContact NE1-O 2.71Å; G42-F51 CarbonylContact C-O 3.52Å; G42-F51 WeakPolarHBondContact CA-O 3.33Å; G42-I62 VanDerWaalsContact C-CD1 3.45Å
43	Y	94.6	Very high	93.4	Very high	53 Å²	53	61.8 Å²	61.8	21%	0.208	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	162.4	173.4	67.4	-101.4	0	0	0	112.5	Y26 W27 W40 T45 T50 F51	Y26-Y43 AromaticContact CD1-CD2 3.82Å; Y26-Y43 HydrophobicContact CD1-CD2 3.82Å; Y26-Y43 AromaticContact CD1-CE2 3.66Å; Y26-Y43 HydrophobicContact CD1-CE2 3.66Å; Y26-Y43 HydrophobicContact CE1-CE2 4.14Å; W27-Y43 CarbonylContact O-C 3.55Å; W27-Y43 WeakPolarHBondContact O-CA 3.45Å; W27-Y43 VanDerWaalsContact O-CB 3.32Å; W27-Y43 WeakPolarHBondContact O-CB 3.46Å; W40-Y43 AromaticContact CZ2-CD1 3.61Å; W40-Y43 HydrophobicContact CZ2-CD1 3.61Å; W40-Y43 AromaticContact CZ2-CE1 3.97Å; W40-Y43 HydrophobicContact CZ2-CE1 3.97Å; W40-Y43 AromaticContact NE1-CD1 3.98Å; Y43-T45 HydrophobicContact CD2-CG2 4.19Å; Y43-T45 HydrophobicContact CE2-CG2 3.77Å; Y43-T50 WeakPolarHBondContact O-CA 3.41Å; Y43-F51 HydrophobicContact CD1-CB 4.12Å; Y43-F51 HydrophobicContact CD2-CB 4.42Å; Y43-F51 HydrophobicContact CD2-CD2 4.3Å; Y43-F51 HydrophobicContact CE1-CB 3.62Å; Y43-F51 HydrophobicContact CE1-CD2 4.38Å; Y43-F51 HydrophobicContact CE1-CG 4.15Å; Y43-F51 HydrophobicContact CE2-CB 3.96Å; Y43-F51 AromaticContact CE2-CD2 3.37Å; Y43-F51 HydrophobicContact CE2-CD2 3.37Å; Y43-F51 HydrophobicContact CE2-CE2 4.18Å; Y43-F51 AromaticContact CE2-CG 3.96Å; Y43-F51 HydrophobicContact CE2-CG 3.96Å; Y43-F51 HydrophobicContact CG-CB 4.48Å; Y43-F51 AromaticContact CZ-CD2 3.41Å; Y43-F51 VanDerWaalsContact CZ-CD2 3.41Å; Y43-F51 AromaticContact CZ-CG 3.57Å; Y43-F51 PolarHBondContact N-O 3.39Å; Y43-F51 PolarHBondContact O-N 3.14Å; Y43-F51 WeakPolarHBondContact OH-CD2 2.96Å; Y43-F51 WeakPolarHBondContact OH-CG 3.39Å
44	I	95.4	Very high	93.2	Very high	6 Å²	6	66.9 Å²	66.9	3%	0.031	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.9	167.1	-171.2	164.3	0	0	0	109.8	W27 E49 T50 I62 R64 F71	W27-I44 HydrophobicContact CB-CG2 3.81Å; W27-I44 PolarHBondContact N-O 3.04Å; W27-I44 PolarHBondContact O-N 3.31Å; I44-E49 CarbonylContact C-O 3.55Å; I44-E49 VanDerWaalsContact CA-O 3.27Å; I44-E49 WeakPolarHBondContact CA-O 3.35Å; I44-T50 HydrophobicContact CB-CG2 4.04Å; I44-T50 HydrophobicContact CD1-CG2 3.8Å; I44-T50 HydrophobicContact CG1-CG2 3.81Å; I44-I62 HydrophobicContact CB-CG2 3.8Å; I44-I62 HydrophobicContact CG2-CG2 3.77Å; I44-R64 HydrophobicContact CD1-CB 4Å; I44-R64 HydrophobicContact CD1-CG 3.74Å; I44-F71 HydrophobicContact CG2-CB 4.33Å; I44-F71 HydrophobicContact CG2-CD2 4.36Å
45	T	93.1	Very high	92.9	Very high	4 Å²	4	66 Å²	66	3%	0.025	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	165.4	179.8	70.1	0	0	0	0	111.3	Y26 Y43 S47 G48 E49 R64	Y26-T45 HydrophobicContact CD1-CG2 3.75Å; Y26-T45 HydrophobicContact CE1-CG2 3.69Å; Y43-T45 HydrophobicContact CD2-CG2 4.19Å; Y43-T45 HydrophobicContact CE2-CG2 3.77Å; T45-S47 PolarHBondContact O-N 3.18Å; T45-S47 PolarHBondContact OG1-N 2.85Å; T45-S47 VanDerWaalsContact OG1-N 3.16Å; T45-S47 PolarHBondContact OG1-OG 3.5Å; T45-G48 WeakPolarHBondContact O-CA 2.96Å; T45-G48 PolarHBondContact O-N 3.2Å; T45-G48 PolarHBondContact OG1-N 3.1Å; T45-E49 HydrophobicContact CG2-CB 3.93Å; T45-E49 PolarHBondContact N-O 2.9Å; T45-E49 PolarHBondContact OG1-N 2.79Å; T45-R64 PolarHBondContact O-NH1 3.36Å; T45-R64 VanDerWaalsContact O-NH1 3.15Å
46	H	89.8	Confident	92.5	Very high	61 Å²	61	62.8 Å²	62.8	28%	0.282	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.3	167.3	71.9	-89	0	0	0	113.5	S23 Y25 R64 D93	S23-H46 WeakPolarHBondContact O-CB 3.26Å; Y25-H46 PolarHBondContact O-N 3.16Å; H46-R64 VanDerWaalsContact O-CZ 3.32Å; H46-R64 PolarHBondContact O-NH1 2.9Å; H46-R64 PolarHBondContact O-NH2 3.34Å; H46-D93 IonicContact CE1-OD2 2.75Å
47	S	91.6	Very high	91.5	Very high	67 Å²	67	64.5 Å²	64.5	47%	0.469	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-16.6	171	59.8	0	0	0	0	113	T45 R64	T45-S47 PolarHBondContact O-N 3.18Å; T45-S47 PolarHBondContact OG1-N 2.85Å; T45-S47 VanDerWaalsContact OG1-N 3.16Å; T45-S47 PolarHBondContact OG1-OG 3.5Å; S47-R64 PolarHBondContact O-NH2 2.66Å; S47-R64 VanDerWaalsContact O-NH2 3.1Å
48	G	92.3	Very high	90.6	Very high	29 Å²	29	60.3 Å²	60.3	30%	0.299	32%	0.317	S	S	.	.			trans	99.1	7.5	177.4	0	0	0	0	0	114.2	T45 R64	T45-G48 WeakPolarHBondContact O-CA 2.96Å; T45-G48 PolarHBondContact O-N 3.2Å; T45-G48 PolarHBondContact OG1-N 3.1Å; G48-R64 VanDerWaalsContact CA-CZ 3.5Å
49	E	93.8	Very high	90.2	Very high	118 Å²	118	60.2 Å²	60.2	55%	0.551	32%	0.322	S	S	*	.			trans	-71.6	141.9	172.8	-63.6	176.7	152.7	0	0	109.7	I44 T45 F51	I44-E49 CarbonylContact C-O 3.55Å; I44-E49 VanDerWaalsContact CA-O 3.27Å; I44-E49 WeakPolarHBondContact CA-O 3.35Å; T45-E49 HydrophobicContact CG2-CB 3.93Å; T45-E49 PolarHBondContact N-O 2.9Å; T45-E49 PolarHBondContact OG1-N 2.79Å; E49-F51 HydrophobicContact CB-CE2 4.21Å
50	T	95.4	Very high	90.2	Very high	54 Å²	54	58.7 Å²	58.7	33%	0.331	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.6	-177.8	54.3	0	0	0	0	110.8	Y43 I44 Y52 I62	Y43-T50 WeakPolarHBondContact O-CA 3.41Å; I44-T50 HydrophobicContact CB-CG2 4.04Å; I44-T50 HydrophobicContact CD1-CG2 3.8Å; I44-T50 HydrophobicContact CG1-CG2 3.81Å; T50-Y52 PolarHBondContact OG1-OH 2.76Å; T50-I62 HydrophobicContact CG2-CB 4.49Å; T50-I62 WeakPolarHBondContact CG2-O 3.29Å
51	F	94.1	Very high	90.2	Very high	98 Å²	98	56 Å²	56	43%	0.43	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.5	174.9	-72.1	-95.2	0	0	0	109	G42 Y43 E49	G42-F51 CarbonylContact C-O 3.52Å; G42-F51 WeakPolarHBondContact CA-O 3.33Å; Y43-F51 HydrophobicContact CD1-CB 4.12Å; Y43-F51 HydrophobicContact CD2-CB 4.42Å; Y43-F51 HydrophobicContact CD2-CD2 4.3Å; Y43-F51 HydrophobicContact CE1-CB 3.62Å; Y43-F51 HydrophobicContact CE1-CD2 4.38Å; Y43-F51 HydrophobicContact CE1-CG 4.15Å; Y43-F51 HydrophobicContact CE2-CB 3.96Å; Y43-F51 AromaticContact CE2-CD2 3.37Å; Y43-F51 HydrophobicContact CE2-CD2 3.37Å; Y43-F51 HydrophobicContact CE2-CE2 4.18Å; Y43-F51 AromaticContact CE2-CG 3.96Å; Y43-F51 HydrophobicContact CE2-CG 3.96Å; Y43-F51 HydrophobicContact CG-CB 4.48Å; Y43-F51 AromaticContact CZ-CD2 3.41Å; Y43-F51 VanDerWaalsContact CZ-CD2 3.41Å; Y43-F51 AromaticContact CZ-CG 3.57Å; Y43-F51 PolarHBondContact N-O 3.39Å; Y43-F51 PolarHBondContact O-N 3.14Å; Y43-F51 WeakPolarHBondContact OH-CD2 2.96Å; Y43-F51 WeakPolarHBondContact OH-CG 3.39Å; E49-F51 HydrophobicContact CB-CE2 4.21Å
52	Y	94	Very high	90.3	Very high	93 Å²	93	56.2 Å²	56.2	37%	0.365	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.2	-174.3	-59.5	-80.9	0	0	0	110	T50 P54 I60 I62	T50-Y52 PolarHBondContact OG1-OH 2.76Å; Y52-P54 WeakPolarHBondContact O-CD 3.21Å; Y52-I60 HydrophobicContact CD1-CD1 3.86Å; Y52-I60 HydrophobicContact CD1-CG1 3.72Å; Y52-I60 HydrophobicContact CE1-CD1 4.34Å; Y52-I60 HydrophobicContact CE1-CG1 4.03Å; Y52-I62 HydrophobicContact CD1-CD1 4.42Å; Y52-I62 HydrophobicContact CE1-CB 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 4.19Å; Y52-I62 HydrophobicContact CE1-CG1 4.01Å; Y52-I62 PolarHBondContact OH-N 2.79Å
53	N	92.4	Very high	90.3	Very high	27 Å²	27	59 Å²	59	14%	0.144	33%	0.328	C	S	.	.			trans	-71.7	119	172.3	-175.7	-14.4	0	0	0	110.1	W40 M41 S55 L56	W40-N53 HydrophobicContact CD2-CB 4.27Å; W40-N53 HydrophobicContact CE3-CB 3.43Å; W40-N53 VanDerWaalsContact CE3-CB 3.43Å; W40-N53 HydrophobicContact CH2-CB 4.19Å; W40-N53 HydrophobicContact CZ3-CB 3.41Å; W40-N53 VanDerWaalsContact CZ3-CB 3.41Å; W40-N53 WeakPolarHBondContact O-CB 3.1Å; W40-N53 PolarHBondContact O-ND2 3.03Å; M41-N53 WeakPolarHBondContact O-CB 3.04Å; M41-N53 PolarHBondContact O-N 3.18Å; N53-S55 PolarHBondContact O-N 3.35Å; N53-S55 WeakPolarHBondContact OD1-CB 3.46Å; N53-S55 PolarHBondContact OD1-N 3.23Å; N53-L56 HydrophobicContact CB-CD1 4.1Å; N53-L56 HydrophobicContact CB-CG 4Å; N53-L56 WeakPolarHBondContact O-CB 3.39Å; N53-L56 PolarHBondContact O-N 2.88Å; N53-L56 VanDerWaalsContact O-N 3.14Å
54	P	88.8	Confident	90.3	Very high	123 Å²	123	59.6 Å²	59.6	80%	0.799	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.2	-179.2	28.5	-36.3	0	0	0	113.4	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 3.21Å; P54-L56 VanDerWaalsContact C-N 3.32Å
55	S	86.3	Confident	90.3	Very high	87 Å²	87	62.2 Å²	62.2	61%	0.608	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.3	177.2	-56.9	0	0	0	0	113.7	N53 Q57	N53-S55 PolarHBondContact O-N 3.35Å; N53-S55 WeakPolarHBondContact OD1-CB 3.46Å; N53-S55 PolarHBondContact OD1-N 3.23Å; S55-Q57 PolarHBondContact O-N 2.8Å
56	L	84.6	Confident	90.3	Very high	26 Å²	26	65.4 Å²	65.4	14%	0.136	36%	0.362	C	S	.	.			trans	-69.2	126.6	174.9	-76.1	172	0	0	0	110.8	M41 N53 P54 I60	M41-L56 HydrophobicContact CB-CD1 3.96Å; M41-L56 HydrophobicContact CE-CD1 4.46Å; M41-L56 HydrophobicContact CE-CD2 4.27Å; M41-L56 HydrophobicContact CG-CD2 4.34Å; M41-L56 WeakPolarHBondContact O-CD1 3.35Å; N53-L56 HydrophobicContact CB-CD1 4.1Å; N53-L56 HydrophobicContact CB-CG 4Å; N53-L56 WeakPolarHBondContact O-CB 3.39Å; N53-L56 PolarHBondContact O-N 2.88Å; N53-L56 VanDerWaalsContact O-N 3.14Å; P54-L56 VanDerWaalsContact C-N 3.32Å; L56-I60 HydrophobicContact CD1-CD1 3.46Å; L56-I60 VanDerWaalsContact CD1-CD1 3.46Å; L56-I60 HydrophobicContact CD1-CG1 4.05Å
57	Q	71.9	Confident	90.5	Very high	168 Å²	168	67.5 Å²	67.5	79%	0.785	38%	0.383	S	S	*	.			trans	-81.5	-27.4	175.6	-61.4	-178.1	33.7	0	0	112.1	S55	S55-Q57 PolarHBondContact O-N 2.8Å
58	S	75.1	Confident	90.6	Very high	19 Å²	19	70 Å²	70	13%	0.133	39%	0.385	C	S	.	.	S	Bend	trans	-91.9	132.6	-177.7	-52.4	0	0	0	0	111.4	I60 D82	S58-I60 PolarHBondContact O-N 2.04Å; S58-D82 PolarHBondContact OG-OD1 3.22Å
59	P	84.9	Confident	90.7	Very high	86 Å²	86	70.2 Å²	70.2	56%	0.558	38%	0.38	S	S	*	.			trans	-69.8	118.9	176	26.6	-31.3	0	0	0	110.7	N76	P59-N76 HydrophobicContact CG-CB 4.26Å; P59-N76 PolarHBondContact O-N 2.87Å
60	I	92.6	Very high	90.8	Very high	25 Å²	25	66.6 Å²	66.6	13%	0.128	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	160.1	177.7	66.7	167	0	0	0	111.3	M41 Y52 L56 S58 I62 L73 Q74 L75	M41-I60 HydrophobicContact CB-CD1 4.01Å; M41-I60 HydrophobicContact CE-CD1 4.22Å; M41-I60 HydrophobicContact CE-CG2 3.92Å; Y52-I60 HydrophobicContact CD1-CD1 3.86Å; Y52-I60 HydrophobicContact CD1-CG1 3.72Å; Y52-I60 HydrophobicContact CE1-CD1 4.34Å; Y52-I60 HydrophobicContact CE1-CG1 4.03Å; L56-I60 HydrophobicContact CD1-CD1 3.46Å; L56-I60 VanDerWaalsContact CD1-CD1 3.46Å; L56-I60 HydrophobicContact CD1-CG1 4.05Å; S58-I60 PolarHBondContact O-N 2.04Å; I60-I62 HydrophobicContact CD1-CD1 4.45Å; I60-L73 HydrophobicContact CB-CD1 3.95Å; I60-L73 HydrophobicContact CD1-CD1 3.89Å; I60-L73 HydrophobicContact CG1-CD1 4.44Å; I60-L73 HydrophobicContact CG2-CD1 4.4Å; I60-Q74 CarbonylContact C-O 3.54Å; I60-Q74 VanDerWaalsContact CA-O 3.31Å; I60-Q74 WeakPolarHBondContact CA-O 3.41Å; I60-L75 HydrophobicContact CG2-CD2 3.58Å
61	S	94.7	Very high	90.8	Very high	33 Å²	33	64.1 Å²	64.1	23%	0.231	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.5	168.9	173.8	0	0	0	0	109.6	Q74	S61-Q74 PolarHBondContact N-O 2.9Å; S61-Q74 PolarHBondContact O-N 2.83Å
62	I	95.8	Very high	90.9	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.6	177.3	-59.8	171.3	0	0	0	108.1	G42 I44 T50 Y52 I60 F72 L73	G42-I62 VanDerWaalsContact C-CD1 3.45Å; I44-I62 HydrophobicContact CB-CG2 3.8Å; I44-I62 HydrophobicContact CG2-CG2 3.77Å; T50-I62 HydrophobicContact CG2-CB 4.49Å; T50-I62 WeakPolarHBondContact CG2-O 3.29Å; Y52-I62 HydrophobicContact CD1-CD1 4.42Å; Y52-I62 HydrophobicContact CE1-CB 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 4.19Å; Y52-I62 HydrophobicContact CE1-CG1 4.01Å; Y52-I62 PolarHBondContact OH-N 2.79Å; I60-I62 HydrophobicContact CD1-CD1 4.45Å; I62-F72 WeakPolarHBondContact CA-O 3.5Å; I62-L73 HydrophobicContact CG1-CD1 3.82Å
63	T	95.3	Very high	91	Very high	59 Å²	59	56.4 Å²	56.4	36%	0.362	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	166.4	-179	62.8	0	0	0	0	111.1	F71 F72	T63-F71 CarbonylContact O-C 3.52Å; T63-F71 VanDerWaalsContact O-CA 3.29Å; T63-F71 WeakPolarHBondContact O-CA 3.13Å; T63-F71 WeakPolarHBondContact O-CB 2.96Å; T63-F72 PolarHBondContact N-O 2.86Å; T63-F72 PolarHBondContact O-N 2.91Å
64	R	94.8	Very high	91.1	Very high	65 Å²	65	57.5 Å²	57.5	25%	0.245	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.6	177.9	68.5	-178.7	-173.5	164.6	2.7	112.5	I21 I44 T45 H46 S47 G48 Q70 F71	I21-R64 HydrophobicContact CD1-CB 3.88Å; I44-R64 HydrophobicContact CD1-CB 4Å; I44-R64 HydrophobicContact CD1-CG 3.74Å; T45-R64 PolarHBondContact O-NH1 3.36Å; T45-R64 VanDerWaalsContact O-NH1 3.15Å; H46-R64 VanDerWaalsContact O-CZ 3.32Å; H46-R64 PolarHBondContact O-NH1 2.9Å; H46-R64 PolarHBondContact O-NH2 3.34Å; S47-R64 PolarHBondContact O-NH2 2.66Å; S47-R64 VanDerWaalsContact O-NH2 3.1Å; G48-R64 VanDerWaalsContact CA-CZ 3.5Å; R64-Q70 WeakPolarHBondContact CA-O 3.33Å; R64-F71 HydrophobicContact CB-CB 4.11Å
65	E	94.6	Very high	91.2	Very high	61 Å²	61	51.8 Å²	51.8	29%	0.285	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	98.2	173.5	-175.5	171.5	-168.7	0	0	109.4	S67 K68 N69 Q70 F72	E65-S67 VanDerWaalsContact C-N 3.29Å; E65-S67 WeakPolarHBondContact CG-OG 3.37Å; E65-S67 PolarHBondContact O-N 3.4Å; E65-K68 HydrophobicContact CG-CB 4.2Å; E65-K68 HydrophobicContact CG-CD 4.43Å; E65-K68 HydrophobicContact CG-CG 4.07Å; E65-K68 PolarHBondContact O-N 3Å; E65-K68 WeakPolarHBondContact OE1-CE 3.16Å; E65-K68 IonicContact OE1-NZ 3.24Å; E65-K68 PolarHBondContact OE1-NZ 2.82Å; E65-K68 VanDerWaalsContact OE2-CD 3.27Å; E65-K68 WeakPolarHBondContact OE2-CD 3.3Å; E65-K68 WeakPolarHBondContact OE2-CE 3.32Å; E65-K68 IonicContact OE2-NZ 2.87Å; E65-K68 PolarHBondContact OE2-NZ 2.9Å; E65-N69 PolarHBondContact O-N 3.21Å; E65-N69 VanDerWaalsContact O-N 3.13Å; E65-Q70 PolarHBondContact N-O 2.85Å; E65-Q70 PolarHBondContact O-N 2.93Å; E65-F72 HydrophobicContact CB-CE2 3.64Å; E65-F72 HydrophobicContact CB-CZ 4.19Å
66	T	93.8	Very high	91.3	Very high	71 Å²	71	49.7 Å²	49.7	44%	0.436	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-61.5	-35.9	-175.5	-51.8	0	0	0	0	112.9	I21 T22 K68 N69	I21-T66 HydrophobicContact CG2-CG2 4.05Å; T22-T66 HydrophobicContact CG2-CG2 3.73Å; T66-K68 PolarHBondContact O-N 2.98Å; T66-N69 PolarHBondContact O-N 3.18Å
67	S	93	Very high	91.4	Very high	105 Å²	105	51.9 Å²	51.9	73%	0.734	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-62.9	-30	179.5	55.2	0	0	0	0	113.2	E65	E65-S67 VanDerWaalsContact C-N 3.29Å; E65-S67 WeakPolarHBondContact CG-OG 3.37Å; E65-S67 PolarHBondContact O-N 3.4Å
68	K	94.5	Very high	92.2	Very high	118 Å²	118	43.9 Å²	43.9	51%	0.513	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-100.8	-1	178.6	-62.7	-168.9	-168.3	133	0	113.4	E65 T66 Q70	E65-K68 HydrophobicContact CG-CB 4.2Å; E65-K68 HydrophobicContact CG-CD 4.43Å; E65-K68 HydrophobicContact CG-CG 4.07Å; E65-K68 PolarHBondContact O-N 3Å; E65-K68 WeakPolarHBondContact OE1-CE 3.16Å; E65-K68 IonicContact OE1-NZ 3.24Å; E65-K68 PolarHBondContact OE1-NZ 2.82Å; E65-K68 VanDerWaalsContact OE2-CD 3.27Å; E65-K68 WeakPolarHBondContact OE2-CD 3.3Å; E65-K68 WeakPolarHBondContact OE2-CE 3.32Å; E65-K68 IonicContact OE2-NZ 2.87Å; E65-K68 PolarHBondContact OE2-NZ 2.9Å; T66-K68 PolarHBondContact O-N 2.98Å; K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 HydrophobicContact CB-CB 4.24Å; K68-Q70 HydrophobicContact CB-CG 4.2Å; K68-Q70 WeakPolarHBondContact O-CG 3.01Å; K68-Q70 PolarHBondContact O-N 2.99Å
69	N	94.8	Very high	92.9	Very high	35 Å²	35	45.7 Å²	45.7	19%	0.187	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	41.9	-174.6	-149	39.4	0	0	0	113	I16 F19 P20 I21 E65 T66	I16-N69 PolarHBondContact N-O 2.87Å; I16-N69 PolarHBondContact O-ND2 2.76Å; F19-N69 PolarHBondContact O-ND2 3.2Å; P20-N69 WeakPolarHBondContact CA-OD1 3.2Å; I21-N69 WeakPolarHBondContact CB-OD1 3.41Å; I21-N69 PolarHBondContact N-OD1 3.38Å; E65-N69 PolarHBondContact O-N 3.21Å; E65-N69 VanDerWaalsContact O-N 3.13Å; T66-N69 PolarHBondContact O-N 3.18Å
70	Q	95.8	Very high	93	Very high	42 Å²	42	45.4 Å²	45.4	20%	0.196	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.5	-171.1	-80.7	170.8	-6	0	0	111.9	T13 C14 S15 I21 R64 E65 K68 F72	T13-Q70 HydrophobicContact CG2-CB 4.25Å; T13-Q70 HydrophobicContact CG2-CG 3.97Å; C14-Q70 VanDerWaalsContact O-CA 3.29Å; C14-Q70 WeakPolarHBondContact O-CA 3.2Å; S15-Q70 WeakPolarHBondContact OG-CG 3.43Å; S15-Q70 PolarHBondContact OG-NE2 2.79Å; I21-Q70 VanDerWaalsContact CD1-O 3.29Å; I21-Q70 WeakPolarHBondContact CD1-O 3.47Å; R64-Q70 WeakPolarHBondContact CA-O 3.33Å; E65-Q70 PolarHBondContact N-O 2.85Å; E65-Q70 PolarHBondContact O-N 2.93Å; K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 HydrophobicContact CB-CB 4.24Å; K68-Q70 HydrophobicContact CB-CG 4.2Å; K68-Q70 WeakPolarHBondContact O-CG 3.01Å; K68-Q70 PolarHBondContact O-N 2.99Å; Q70-F72 HydrophobicContact CB-CE1 4.33Å; Q70-F72 HydrophobicContact CB-CE2 4.06Å; Q70-F72 HydrophobicContact CB-CZ 3.69Å
71	F	95.6	Very high	92.7	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.3	164.7	70.8	-74.7	0	0	0	111.4	C14 I16 I21 W27 W29 I44 T63 R64 C88	C14-F71 HydrophobicContact CB-CD1 3.86Å; C14-F71 HydrophobicContact CB-CE1 3.48Å; C14-F71 VanDerWaalsContact CB-CE1 3.48Å; C14-F71 HydrophobicContact CB-CE2 4.34Å; C14-F71 HydrophobicContact CB-CG 4.45Å; C14-F71 HydrophobicContact CB-CZ 3.79Å; C14-F71 PolarHBondContact N-O 3.5Å; C14-F71 PolarHBondContact O-N 2.77Å; C14-F71 WeakPolarHBondContact SG-CE1 3.17Å; I16-F71 HydrophobicContact CD1-CD1 3.95Å; I16-F71 HydrophobicContact CD1-CE1 4.16Å; I16-F71 HydrophobicContact CG1-CD1 4.39Å; I16-F71 HydrophobicContact CG1-CE1 4.28Å; I21-F71 HydrophobicContact CD1-CB 3.87Å; I21-F71 HydrophobicContact CD1-CD1 4.3Å; W27-F71 HydrophobicContact CB-CD1 4.05Å; W27-F71 HydrophobicContact CB-CD2 3.98Å; W27-F71 HydrophobicContact CB-CE1 3.88Å; W27-F71 HydrophobicContact CB-CE2 3.83Å; W27-F71 HydrophobicContact CB-CG 4.07Å; W27-F71 HydrophobicContact CB-CZ 3.74Å; W27-F71 HydrophobicContact CD2-CE1 4.3Å; W27-F71 HydrophobicContact CE3-CE1 4.01Å; W27-F71 HydrophobicContact CE3-CZ 4.43Å; W27-F71 HydrophobicContact CG-CD1 4.33Å; W27-F71 HydrophobicContact CG-CE1 4.27Å; W29-F71 AromaticContact CD1-CD2 3.89Å; W29-F71 AromaticContact CD1-CE2 3.68Å; W29-F71 HydrophobicContact CD2-CE2 4.33Å; W29-F71 AromaticContact CE2-CD2 3.96Å; W29-F71 AromaticContact CE2-CE2 3.72Å; W29-F71 HydrophobicContact CG-CE2 4.31Å; W29-F71 HydrophobicContact CZ2-CD2 4.41Å; W29-F71 HydrophobicContact CZ2-CE2 4.28Å; W29-F71 AromaticContact NE1-CD2 3.24Å; W29-F71 AromaticContact NE1-CE2 3.27Å; W29-F71 VanDerWaalsContact NE1-CE2 3.27Å; I44-F71 HydrophobicContact CG2-CB 4.33Å; I44-F71 HydrophobicContact CG2-CD2 4.36Å; T63-F71 CarbonylContact O-C 3.52Å; T63-F71 VanDerWaalsContact O-CA 3.29Å; T63-F71 WeakPolarHBondContact O-CA 3.13Å; T63-F71 WeakPolarHBondContact O-CB 2.96Å; R64-F71 HydrophobicContact CB-CB 4.11Å; F71-C88 HydrophobicContact CE1-CB 4.26Å; F71-C88 HydrophobicContact CE2-CB 4.19Å; F71-C88 HydrophobicContact CZ-CB 3.55Å
72	F	95.8	Very high	92.5	Very high	30 Å²	30	49 Å²	49	13%	0.132	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.2	-166	-49.2	-89.7	0	0	0	110.8	L12 T13 I62 T63 E65 Q70	L12-F72 CarbonylContact O-C 3.48Å; L12-F72 WeakPolarHBondContact O-CA 3.45Å; T13-F72 HydrophobicContact CG2-CD1 3.79Å; T13-F72 HydrophobicContact CG2-CE1 3.43Å; T13-F72 VanDerWaalsContact CG2-CE1 3.43Å; T13-F72 HydrophobicContact CG2-CZ 4.29Å; T13-F72 VanDerWaalsContact OG1-CD1 3.27Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.24Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.03Å; I62-F72 WeakPolarHBondContact CA-O 3.5Å; T63-F72 PolarHBondContact N-O 2.86Å; T63-F72 PolarHBondContact O-N 2.91Å; E65-F72 HydrophobicContact CB-CE2 3.64Å; E65-F72 HydrophobicContact CB-CZ 4.19Å; Q70-F72 HydrophobicContact CB-CE1 4.33Å; Q70-F72 HydrophobicContact CB-CE2 4.06Å; Q70-F72 HydrophobicContact CB-CZ 3.69Å
73	L	95.8	Very high	92.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.2	164.6	179.2	68.4	0	0	0	108.2	F11 L12 W29 M41 I60 I62 L75 Y86	F11-L73 CarbonylContact C-O 3.42Å; F11-L73 WeakPolarHBondContact CA-O 3.3Å; L12-L73 HydrophobicContact CB-CB 4.32Å; L12-L73 HydrophobicContact CD1-CD2 4.25Å; L12-L73 PolarHBondContact N-O 2.84Å; L12-L73 PolarHBondContact O-N 3.27Å; W29-L73 HydrophobicContact CB-CD2 4.3Å; W29-L73 HydrophobicContact CD2-CB 3.67Å; W29-L73 HydrophobicContact CD2-CD2 4.04Å; W29-L73 HydrophobicContact CD2-CG 4.4Å; W29-L73 VanDerWaalsContact CE2-CB 3.46Å; W29-L73 HydrophobicContact CE3-CB 4.28Å; W29-L73 HydrophobicContact CE3-CD2 4.14Å; W29-L73 HydrophobicContact CG-CB 3.91Å; W29-L73 HydrophobicContact CG-CD1 4.3Å; W29-L73 HydrophobicContact CG-CD2 4.12Å; W29-L73 HydrophobicContact CG-CG 4.35Å; W29-L73 HydrophobicContact CZ2-CB 3.92Å; M41-L73 HydrophobicContact CE-CD2 4.01Å; M41-L73 HydrophobicContact SD-CD2 3.89Å; I60-L73 HydrophobicContact CB-CD1 3.95Å; I60-L73 HydrophobicContact CD1-CD1 3.89Å; I60-L73 HydrophobicContact CG1-CD1 4.44Å; I60-L73 HydrophobicContact CG2-CD1 4.4Å; I62-L73 HydrophobicContact CG1-CD1 3.82Å; L73-L75 HydrophobicContact CD1-CD2 4.47Å; L73-L75 HydrophobicContact CD2-CD2 3.82Å; L73-L75 HydrophobicContact CD2-CG 4.32Å; L73-L75 HydrophobicContact CG-CD2 3.99Å; L73-L75 HydrophobicContact CG-CG 4.35Å; L73-Y86 HydrophobicContact CD2-CD1 3.87Å; L73-Y86 HydrophobicContact CD2-CE1 4.09Å
74	Q	94.2	Very high	92.2	Very high	49 Å²	49	47.8 Å²	47.8	23%	0.229	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.8	169.1	-179.4	178.5	-3.6	0	0	108.8	L10 F11 I60 S61 N76	L10-Q74 CarbonylContact O-C 3.47Å; L10-Q74 WeakPolarHBondContact O-CA 3.38Å; F11-Q74 HydrophobicContact CD1-CB 3.8Å; F11-Q74 HydrophobicContact CD1-CG 3.97Å; F11-Q74 HydrophobicContact CE1-CB 3.65Å; F11-Q74 HydrophobicContact CE1-CG 3.45Å; F11-Q74 VanDerWaalsContact CE1-CG 3.45Å; F11-Q74 HydrophobicContact CZ-CB 4.45Å; F11-Q74 VanDerWaalsContact CZ-CD 3.46Å; F11-Q74 HydrophobicContact CZ-CG 3.76Å; I60-Q74 CarbonylContact C-O 3.54Å; I60-Q74 VanDerWaalsContact CA-O 3.31Å; I60-Q74 WeakPolarHBondContact CA-O 3.41Å; S61-Q74 PolarHBondContact N-O 2.9Å; S61-Q74 PolarHBondContact O-N 2.83Å; Q74-N76 PolarHBondContact NE2-OD1 2.92Å
75	L	91.6	Very high	92.2	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.2	169.1	-57.3	174.6	0	0	0	107.8	S9 L10 M41 I60 L73 V78 Y86 L107	S9-L75 VanDerWaalsContact CA-O 3.28Å; S9-L75 WeakPolarHBondContact CA-O 3.15Å; L10-L75 PolarHBondContact N-O 3.22Å; L10-L75 PolarHBondContact O-N 3.06Å; M41-L75 HydrophobicContact CE-CD2 3.98Å; I60-L75 HydrophobicContact CG2-CD2 3.58Å; L73-L75 HydrophobicContact CD1-CD2 4.47Å; L73-L75 HydrophobicContact CD2-CD2 3.82Å; L73-L75 HydrophobicContact CD2-CG 4.32Å; L73-L75 HydrophobicContact CG-CD2 3.99Å; L73-L75 HydrophobicContact CG-CG 4.35Å; L75-V78 HydrophobicContact CB-CG1 3.66Å; L75-V78 HydrophobicContact CD1-CG1 4.3Å; L75-Y86 HydrophobicContact CD1-CE1 3.88Å; L75-Y86 HydrophobicContact CD2-CE1 4.23Å; L75-L107 HydrophobicContact CD1-CD2 3.65Å
76	N	88.4	Confident	92.3	Very high	44 Å²	44	44.6 Å²	44.6	24%	0.235	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-99.8	133	179.2	-64.9	-52	0	0	0	110.5	S9 P59 Q74	S9-N76 PolarHBondContact OG-OD1 2.99Å; P59-N76 HydrophobicContact CG-CB 4.26Å; P59-N76 PolarHBondContact O-N 2.87Å; Q74-N76 PolarHBondContact NE2-OD1 2.92Å
77	S	86.9	Confident	92.4	Very high	71 Å²	71	43.2 Å²	43.2	50%	0.497	23%	0.234	S	C	.	.	S	Bend	trans	54	57.4	176.8	-58.8	0	0	0	0	112.9	Q8	Q8-S77 PolarHBondContact O-N 2.98Å
78	V	88.9	Confident	92.5	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.204	C	C	.	.			trans	-56.7	142.7	-175.2	-60.6	0	0	0	0	112.5	V4 P6 S7 Q8 L10 L75 D82 V109	V4-V78 HydrophobicContact CG2-CG2 4Å; P6-V78 CarbonylContact C-O 3.59Å; P6-V78 VanDerWaalsContact CA-O 3.3Å; P6-V78 WeakPolarHBondContact CA-O 3.35Å; S7-V78 PolarHBondContact N-O 2.86Å; Q8-V78 WeakPolarHBondContact O-CG2 3.36Å; Q8-V78 PolarHBondContact O-N 2.86Å; L10-V78 HydrophobicContact CB-CG1 4.34Å; L75-V78 HydrophobicContact CB-CG1 3.66Å; L75-V78 HydrophobicContact CD1-CG1 4.3Å; V78-D82 WeakPolarHBondContact CA-OD2 3.13Å; V78-V109 HydrophobicContact CB-CG2 4.23Å; V78-V109 HydrophobicContact CG2-CG1 4.11Å; V78-V109 HydrophobicContact CG2-CG2 4.16Å
79	T	89	Confident	92.4	Very high	56 Å²	56	33.6 Å²	33.6	34%	0.344	18%	0.181	S	C	.	.			trans	-118.7	170.5	178	66.8	0	0	0	0	110.4	E81 D82 V109	T79-E81 PolarHBondContact O-N 2.78Å; T79-E81 PolarHBondContact OG1-N 3.49Å; T79-D82 PolarHBondContact N-OD2 3.16Å; T79-D82 WeakPolarHBondContact O-CB 3.42Å; T79-D82 PolarHBondContact O-N 3.02Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; T79-D82 VanDerWaalsContact OG1-OD2 3.1Å; T79-V109 VanDerWaalsContact O-CB 3.28Å; T79-V109 WeakPolarHBondContact O-CB 3.27Å; T79-V109 WeakPolarHBondContact O-CG1 3.27Å; T79-V109 WeakPolarHBondContact O-CG2 3.14Å
80	T	87.6	Confident	92.3	Very high	81 Å²	81	32 Å²	32	50%	0.497	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-58	-27.6	174.1	48.4	0	0	0	0	112.5	D82 T83	T80-D82 VanDerWaalsContact C-N 3.26Å; T80-D82 PolarHBondContact O-N 3.33Å; T80-T83 VanDerWaalsContact O-CB 3.24Å; T80-T83 WeakPolarHBondContact O-CB 3.35Å; T80-T83 PolarHBondContact O-N 2.91Å; T80-T83 PolarHBondContact O-OG1 3.47Å
81	E	86.8	Confident	91.9	Very high	132 Å²	132	31.4 Å²	31.4	62%	0.617	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-69.1	-22.2	177	-57.8	-174.9	176.8	0	0	113.3	T79 T83	T79-E81 PolarHBondContact O-N 2.78Å; T79-E81 PolarHBondContact OG1-N 3.49Å; E81-T83 PolarHBondContact O-N 2.97Å
82	D	88.8	Confident	91.2	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.011	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-78.9	1.4	175.5	-59.7	-56.9	0	0	0	112.5	R31 S58 V78 T79 T80 A84 Y86	R31-D82 IonicContact NH1-OD1 2.88Å; R31-D82 PolarHBondContact NH1-OD1 2.87Å; S58-D82 PolarHBondContact OG-OD1 3.22Å; V78-D82 WeakPolarHBondContact CA-OD2 3.13Å; T79-D82 PolarHBondContact N-OD2 3.16Å; T79-D82 WeakPolarHBondContact O-CB 3.42Å; T79-D82 PolarHBondContact O-N 3.02Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; T79-D82 VanDerWaalsContact OG1-OD2 3.1Å; T80-D82 VanDerWaalsContact C-N 3.26Å; T80-D82 PolarHBondContact O-N 3.33Å; D82-A84 PolarHBondContact O-N 3.36Å; D82-A84 VanDerWaalsContact O-N 3.13Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 2.84Å
83	T	91.8	Very high	89.9	Confident	34 Å²	34	35.2 Å²	35.2	21%	0.209	19%	0.194	C	C	.	.			trans	-65.9	108.1	170.8	-63.8	0	0	0	0	110.2	P34 T80 E81 L107 T108 V109	P34-T83 WeakPolarHBondContact CD-O 3.31Å; T80-T83 VanDerWaalsContact O-CB 3.24Å; T80-T83 WeakPolarHBondContact O-CB 3.35Å; T80-T83 PolarHBondContact O-N 2.91Å; T80-T83 PolarHBondContact O-OG1 3.47Å; E81-T83 PolarHBondContact O-N 2.97Å; T83-L107 WeakPolarHBondContact CA-O 3.38Å; T83-T108 HydrophobicContact CG2-CG2 4.38Å; T83-V109 PolarHBondContact OG1-N 3.33Å; T83-V109 PolarHBondContact OG1-O 3.49Å
84	A	93.7	Very high	88.2	Confident	3 Å²	3	38.2 Å²	38.2	3%	0.025	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	167.4	-175.2	0	0	0	0	0	111	R31 Q32 D82 Y86 L107	R31-A84 HydrophobicContact CB-CB 4.19Å; Q32-A84 WeakPolarHBondContact O-CA 3.44Å; Q32-A84 WeakPolarHBondContact O-CB 3.42Å; D82-A84 PolarHBondContact O-N 3.36Å; D82-A84 VanDerWaalsContact O-N 3.13Å; A84-Y86 HydrophobicContact CB-CD2 4.3Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.28Å; A84-L107 PolarHBondContact N-O 2.88Å; A84-L107 VanDerWaalsContact N-O 3.17Å; A84-L107 PolarHBondContact O-N 3.29Å
85	M	95.6	Very high	86.4	Confident	57 Å²	57	43.7 Å²	43.7	28%	0.281	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.3	159.4	-164.1	72.2	69	0	0	108.9	R31 Q32 Y87 T106	R31-M85 CarbonylContact C-O 3.57Å; R31-M85 VanDerWaalsContact CA-O 3.26Å; R31-M85 WeakPolarHBondContact CA-O 3.37Å; Q32-M85 HydrophobicContact CB-CB 4.43Å; Q32-M85 PolarHBondContact N-O 2.99Å; Q32-M85 PolarHBondContact O-N 2.91Å; M85-Y87 HydrophobicContact CB-CE2 3.81Å; M85-Y87 HydrophobicContact CG-CD1 4.5Å; M85-Y87 HydrophobicContact CG-CD2 4.4Å; M85-Y87 HydrophobicContact CG-CE1 3.75Å; M85-Y87 HydrophobicContact CG-CE2 3.66Å; M85-Y87 WeakPolarHBondContact CG-OH 3.29Å; M85-T106 WeakPolarHBondContact CE-OG1 3.41Å; M85-T106 PolarHBondContact SD-N 3.13Å; M85-T106 PolarHBondContact SD-OG1 3.21Å
86	Y	95.6	Very high	84.8	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.8	178.7	-70.4	-100	0	0	0	109.7	L12 I30 R31 M41 L73 L75 D82 A84 G104 T105 L107	L12-Y86 HydrophobicContact CD1-CD1 3.63Å; L12-Y86 HydrophobicContact CD1-CD2 4Å; L12-Y86 HydrophobicContact CD1-CE1 4.34Å; L12-Y86 HydrophobicContact CD1-CG 3.42Å; L12-Y86 VanDerWaalsContact CD1-CG 3.42Å; I30-Y86 CarbonylContact O-C 3.44Å; I30-Y86 WeakPolarHBondContact O-CA 3.47Å; R31-Y86 HydrophobicContact CB-CD1 3.89Å; R31-Y86 HydrophobicContact CB-CE1 3.84Å; R31-Y86 HydrophobicContact CB-CG 4.4Å; M41-Y86 HydrophobicContact CE-CE1 4Å; M41-Y86 HydrophobicContact SD-CD1 3.87Å; M41-Y86 HydrophobicContact SD-CE1 3.69Å; L73-Y86 HydrophobicContact CD2-CD1 3.87Å; L73-Y86 HydrophobicContact CD2-CE1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.88Å; L75-Y86 HydrophobicContact CD2-CE1 4.23Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 2.84Å; A84-Y86 HydrophobicContact CB-CD2 4.3Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.28Å; Y86-G104 CarbonylContact O-C 3.59Å; Y86-G104 WeakPolarHBondContact O-CA 3.49Å; Y86-T105 PolarHBondContact N-O 3.18Å; Y86-T105 PolarHBondContact O-N 2.68Å; Y86-L107 HydrophobicContact CD2-CB 3.88Å; Y86-L107 HydrophobicContact CE2-CB 3.66Å; Y86-L107 HydrophobicContact CE2-CD2 3.78Å; Y86-L107 HydrophobicContact CE2-CG 4.32Å
87	Y	95.8	Very high	83.4	Confident	42 Å²	42	60.7 Å²	60.7	17%	0.165	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.1	179.9	-52.8	-88.8	0	0	0	109.7	W29 I30 Q32 L38 M85 W101 G104	W29-Y87 VanDerWaalsContact CE3-O 3.28Å; I30-Y87 PolarHBondContact N-O 2.82Å; I30-Y87 PolarHBondContact O-N 2.77Å; Q32-Y87 HydrophobicContact CB-CE2 3.87Å; Q32-Y87 PolarHBondContact OE1-OH 2.92Å; Q32-Y87 VanDerWaalsContact OE1-OH 3.06Å; L38-Y87 HydrophobicContact CD2-CD2 4.21Å; L38-Y87 HydrophobicContact CD2-CE2 3.95Å; M85-Y87 HydrophobicContact CB-CE2 3.81Å; M85-Y87 HydrophobicContact CG-CD1 4.5Å; M85-Y87 HydrophobicContact CG-CD2 4.4Å; M85-Y87 HydrophobicContact CG-CE1 3.75Å; M85-Y87 HydrophobicContact CG-CE2 3.66Å; M85-Y87 WeakPolarHBondContact CG-OH 3.29Å; Y87-W101 HydrophobicContact CG-CE3 4.48Å; Y87-W101 HydrophobicContact CG-CZ3 4.29Å; Y87-G104 VanDerWaalsContact CD1-CA 3.42Å
88	C	95.1	Very high	82.5	Confident	16 Å²	16	61.5 Å²	61.5	11%	0.108	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.8	164.2	57.4	0	0	0	0	109.7	C14 I28 W29 F71 G102	C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.27Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.39Å; I28-C88 CarbonylContact O-C 3.53Å; I28-C88 VanDerWaalsContact O-CA 3.29Å; I28-C88 WeakPolarHBondContact O-CA 3.38Å; W29-C88 HydrophobicContact CE3-CB 4.34Å; W29-C88 HydrophobicContact CH2-CB 4.26Å; W29-C88 HydrophobicContact CZ3-CB 4.17Å; F71-C88 HydrophobicContact CE1-CB 4.26Å; F71-C88 HydrophobicContact CE2-CB 4.19Å; F71-C88 HydrophobicContact CZ-CB 3.55Å; C88-G102 PolarHBondContact O-N 2.98Å
89	A	93.8	Very high	81.9	Confident	4 Å²	4	64.9 Å²	64.9	3%	0.033	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.5	176.9	0	0	0	0	0	111.4	I28 I30 F98 Y100 W101	I28-A89 HydrophobicContact CB-CB 4.42Å; I28-A89 PolarHBondContact N-O 3Å; I28-A89 PolarHBondContact O-N 3.18Å; I30-A89 HydrophobicContact CD1-CB 4.25Å; A89-F98 HydrophobicContact CB-CD1 3.72Å; A89-F98 HydrophobicContact CB-CE1 4.28Å; A89-F98 HydrophobicContact CB-CG 4.47Å; A89-Y100 CarbonylContact C-O 3.52Å; A89-Y100 WeakPolarHBondContact CA-O 3.29Å; A89-Y100 WeakPolarHBondContact CB-O 3.44Å; A89-W101 HydrophobicContact CB-CD2 4.21Å; A89-W101 HydrophobicContact CB-CG 4.48Å
90	G	91.3	Very high	81.7	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.2	173.3	0	0	0	0	0	110.4	Y26 F98 D99 Y100	Y26-G90 WeakPolarHBondContact O-CA 3.18Å; G90-F98 CarbonylContact O-C 3.42Å; G90-D99 PolarHBondContact O-N 2.68Å; G90-Y100 PolarHBondContact N-O 3.16Å; G90-Y100 PolarHBondContact O-N 3.24Å
91	D	87.1	Confident	81.8	Confident	30 Å²	30	69 Å²	69	16%	0.16	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.2	179.8	-175	17.8	0	0	0	109.7	Y25 Y26 I28 F98	Y25-D91 CarbonylContact C-O 3.44Å; Y25-D91 WeakPolarHBondContact CA-O 3.42Å; Y26-D91 PolarHBondContact N-O 2.62Å; Y26-D91 PolarHBondContact O-N 2.68Å; I28-D91 HydrophobicContact CD1-CB 3.64Å; D91-F98 HydrophobicContact CB-CD1 4.43Å
92	S	82	Confident	82	Confident	18 Å²	18	63.9 Å²	63.9	13%	0.126	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	140	-175.6	52.3	0	0	0	0	111.8	G94 Y95 D99	S92-G94 PolarHBondContact O-N 2.76Å; S92-Y95 PolarHBondContact O-N 2.78Å; S92-D99 WeakPolarHBondContact CB-OD2 3.35Å; S92-D99 PolarHBondContact N-OD2 3.15Å; S92-D99 PolarHBondContact OG-OD2 2.95Å
93	D	67.4	Low	82.1	Confident	94 Å²	94	72.9 Å²	72.9	50%	0.503	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	97.1	177.5	-164.7	4.7	0	0	0	110	G24 Y26 H46	G24-D93 WeakPolarHBondContact O-CB 3.29Å; G24-D93 PolarHBondContact O-N 2.88Å; Y26-D93 HydrophobicContact CE2-CB 4.02Å; Y26-D93 PolarHBondContact OH-OD1 3.09Å; H46-D93 IonicContact CE1-OD2 2.75Å
94	G	61.2	Low	82.1	Confident	63 Å²	63	72.6 Å²	72.6	65%	0.649	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.1	-7	-179.7	0	0	0	0	0	116.3	S92	S92-G94 PolarHBondContact O-N 2.76Å
95	Y	56.7	Low	82	Confident	164 Å²	164	74 Å²	74	64%	0.643	36%	0.359	S	S	*	.			trans	-124.1	138.6	173.9	-67.4	-83.6	0	0	0	110	S92 Y97	S92-Y95 PolarHBondContact O-N 2.78Å; Y95-Y97 PolarHBondContact O-N 2.81Å
96	Y	56.8	Low	81.9	Confident	226 Å²	226	74.5 Å²	74.5	89%	0.886	37%	0.366	S	S	*	.	S	Bend	trans	-85.6	27.6	-177.7	-65.2	-76.5	0	0	0	113.2
97	Y	60.3	Low	81.6	Confident	177 Å²	177	74.5 Å²	74.5	69%	0.694	37%	0.366	S	S	*	.	S	Bend	trans	-126.1	128.1	-173.8	-67.6	-75.6	0	0	0	110.2	Y95 D99	Y95-Y97 PolarHBondContact O-N 2.81Å; Y97-D99 VanDerWaalsContact C-N 3.34Å; Y97-D99 PolarHBondContact O-N 3.06Å
98	F	67.9	Low	81.2	Confident	89 Å²	89	75.3 Å²	75.3	39%	0.39	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	94.5	169.9	-63.2	-81.4	0	0	0	110.2	I28 I30 A89 G90 D91 Y100 W101	I28-F98 HydrophobicContact CB-CE1 4.35Å; I28-F98 HydrophobicContact CD1-CD1 3.83Å; I28-F98 HydrophobicContact CD1-CE1 3.35Å; I28-F98 HydrophobicContact CD1-CZ 4.4Å; I28-F98 HydrophobicContact CG1-CE1 4.39Å; I28-F98 HydrophobicContact CG2-CE1 4.16Å; I30-F98 HydrophobicContact CD1-CE1 4.06Å; I30-F98 HydrophobicContact CD1-CZ 4.19Å; A89-F98 HydrophobicContact CB-CD1 3.72Å; A89-F98 HydrophobicContact CB-CE1 4.28Å; A89-F98 HydrophobicContact CB-CG 4.47Å; G90-F98 CarbonylContact O-C 3.42Å; D91-F98 HydrophobicContact CB-CD1 4.43Å; F98-Y100 PolarHBondContact O-N 2.71Å; F98-W101 HydrophobicContact CB-CZ2 4.2Å; F98-W101 HydrophobicContact CD1-CZ2 4.47Å; F98-W101 AromaticContact CD2-CZ2 3.92Å; F98-W101 HydrophobicContact CD2-CZ2 3.92Å; F98-W101 HydrophobicContact CE2-CZ2 4.38Å; F98-W101 AromaticContact CG-CZ2 3.97Å; F98-W101 HydrophobicContact CG-CZ2 3.97Å; F98-W101 AromaticContact CG-NE1 3.85Å
99	D	75.6	Confident	80.7	Confident	72 Å²	72	74.8 Å²	74.8	39%	0.385	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	-28.9	-176.7	-65.5	-42.9	0	0	0	112.4	G90 S92 Y97	G90-D99 PolarHBondContact O-N 2.68Å; S92-D99 WeakPolarHBondContact CB-OD2 3.35Å; S92-D99 PolarHBondContact N-OD2 3.15Å; S92-D99 PolarHBondContact OG-OD2 2.95Å; Y97-D99 VanDerWaalsContact C-N 3.34Å; Y97-D99 PolarHBondContact O-N 3.06Å
100	Y	84.4	Confident	80.1	Confident	109 Å²	109	76.8 Å²	76.8	43%	0.427	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.2	-176.1	-56.3	-78.4	0	0	0	112	F19 Y25 A89 G90 F98	F19-Y100 HydrophobicContact CE1-CD2 4.38Å; F19-Y100 HydrophobicContact CE1-CE1 4.21Å; F19-Y100 AromaticContact CE1-CE2 3.82Å; F19-Y100 HydrophobicContact CE1-CE2 3.82Å; F19-Y100 AromaticContact CE1-CZ 3.72Å; F19-Y100 AromaticContact CZ-CD2 3.96Å; F19-Y100 HydrophobicContact CZ-CD2 3.96Å; F19-Y100 AromaticContact CZ-CE2 3.62Å; F19-Y100 HydrophobicContact CZ-CE2 3.62Å; Y25-Y100 HydrophobicContact CE1-CD2 4.12Å; Y25-Y100 AromaticContact CE1-CE2 3.65Å; Y25-Y100 HydrophobicContact CE1-CE2 3.65Å; Y25-Y100 AromaticContact CZ-CE2 3.87Å; A89-Y100 CarbonylContact C-O 3.52Å; A89-Y100 WeakPolarHBondContact CA-O 3.29Å; A89-Y100 WeakPolarHBondContact CB-O 3.44Å; G90-Y100 PolarHBondContact N-O 3.16Å; G90-Y100 PolarHBondContact O-N 3.24Å; F98-Y100 PolarHBondContact O-N 2.71Å
101	W	91	Very high	79.1	Confident	113 Å²	113	84.1 Å²	84.1	43%	0.428	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.5	173.4	-76.6	73.9	0	0	0	111	I30 L38 Y87 A89 F98	I30-W101 HydrophobicContact CD1-CH2 3.32Å; I30-W101 HydrophobicContact CD1-CZ2 3.94Å; I30-W101 HydrophobicContact CD1-CZ3 3.81Å; L38-W101 HydrophobicContact CD1-CH2 3.84Å; L38-W101 HydrophobicContact CD1-CZ3 4.32Å; Y87-W101 HydrophobicContact CG-CE3 4.48Å; Y87-W101 HydrophobicContact CG-CZ3 4.29Å; A89-W101 HydrophobicContact CB-CD2 4.21Å; A89-W101 HydrophobicContact CB-CG 4.48Å; F98-W101 HydrophobicContact CB-CZ2 4.2Å; F98-W101 HydrophobicContact CD1-CZ2 4.47Å; F98-W101 AromaticContact CD2-CZ2 3.92Å; F98-W101 HydrophobicContact CD2-CZ2 3.92Å; F98-W101 HydrophobicContact CE2-CZ2 4.38Å; F98-W101 AromaticContact CG-CZ2 3.97Å; F98-W101 HydrophobicContact CG-CZ2 3.97Å; F98-W101 AromaticContact CG-NE1 3.85Å
102	G	90.4	Very high	78.7	Confident	26 Å²	26	86.8 Å²	86.8	27%	0.268	45%	0.45	S	S	.	.			trans	-74.8	156.2	165.2	0	0	0	0	0	111.4	C88 G104	C88-G102 PolarHBondContact O-N 2.98Å; G102-G104 PolarHBondContact O-N 3.01Å
103	Q	90.3	Very high	78.5	Confident	190 Å²	190	90.4 Å²	90.4	89%	0.888	47%	0.467	S	S	*	.			trans	-61.7	-13.7	178	-68	-68.5	-38.9	0	0	113.9
104	G	91.5	Very high	79.1	Confident	29 Å²	29	90.2 Å²	90.2	30%	0.299	47%	0.465	S	S	.	.			trans	82.6	161.6	-176.3	0	0	0	0	0	112.9	Y86 Y87 G102	Y86-G104 CarbonylContact O-C 3.59Å; Y86-G104 WeakPolarHBondContact O-CA 3.49Å; Y87-G104 VanDerWaalsContact CD1-CA 3.42Å; G102-G104 PolarHBondContact O-N 3.01Å
105	T	93.1	Very high	80.2	Confident	32 Å²	32	91.8 Å²	91.8	20%	0.196	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.4	174.4	-177.9	0	0	0	0	111.4	P1 L12 Y86	P1-T105 WeakPolarHBondContact CB-OG1 3.45Å; P1-T105 WeakPolarHBondContact CD-OG1 3.38Å; P1-T105 HydrophobicContact CG-CG2 4.09Å; P1-T105 WeakPolarHBondContact CG-OG1 3.45Å; L12-T105 HydrophobicContact CD1-CG2 4.31Å; L12-T105 HydrophobicContact CD2-CG2 4.11Å; Y86-T105 PolarHBondContact N-O 3.18Å; Y86-T105 PolarHBondContact O-N 2.68Å
106	T	92.4	Very high	81.7	Confident	68 Å²	68	87.3 Å²	87.3	42%	0.417	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.5	176.1	-44.6	0	0	0	0	109.8	M85	M85-T106 WeakPolarHBondContact CE-OG1 3.41Å; M85-T106 PolarHBondContact SD-N 3.13Å; M85-T106 PolarHBondContact SD-OG1 3.21Å
107	L	89.6	Confident	83.3	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.005	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.3	166.2	177	60.1	0	0	0	108.7	V4 L10 L75 T83 A84 Y86 V109	V4-L107 HydrophobicContact CG1-CD1 4.31Å; V4-L107 HydrophobicContact CG2-CD1 3.77Å; L10-L107 HydrophobicContact CD2-CD1 3.35Å; L10-L107 HydrophobicContact CD2-CD2 3.51Å; L10-L107 HydrophobicContact CD2-CG 4.01Å; L75-L107 HydrophobicContact CD1-CD2 3.65Å; T83-L107 WeakPolarHBondContact CA-O 3.38Å; A84-L107 PolarHBondContact N-O 2.88Å; A84-L107 VanDerWaalsContact N-O 3.17Å; A84-L107 PolarHBondContact O-N 3.29Å; Y86-L107 HydrophobicContact CD2-CB 3.88Å; Y86-L107 HydrophobicContact CE2-CB 3.66Å; Y86-L107 HydrophobicContact CE2-CD2 3.78Å; Y86-L107 HydrophobicContact CE2-CG 4.32Å; L107-V109 HydrophobicContact CD2-CG2 4.39Å; L107-V109 HydrophobicContact CG-CG2 4.2Å
108	T	88.3	Confident	85	Confident	59 Å²	59	71 Å²	71	36%	0.362	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.9	175.1	-52.7	0	0	0	0	109.2	L3 V4 T83	L3-T108 WeakPolarHBondContact CA-O 3.45Å; L3-T108 HydrophobicContact CD1-CG2 3.82Å; V4-T108 PolarHBondContact N-O 2.75Å; T83-T108 HydrophobicContact CG2-CG2 4.38Å
109	V	83.9	Confident	86.3	Confident	6 Å²	6	69.6 Å²	69.6	4%	0.036	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.1	176.2	-170.8	0	0	0	0	107.9	V4 P6 V78 T79 T83 L107	V4-V109 HydrophobicContact CG2-CB 4.24Å; V4-V109 HydrophobicContact CG2-CG1 4.28Å; V4-V109 HydrophobicContact CG2-CG2 3.66Å; V4-V109 WeakPolarHBondContact O-CA 3.35Å; P6-V109 HydrophobicContact CG-CG1 4.22Å; V78-V109 HydrophobicContact CB-CG2 4.23Å; V78-V109 HydrophobicContact CG2-CG1 4.11Å; V78-V109 HydrophobicContact CG2-CG2 4.16Å; T79-V109 VanDerWaalsContact O-CB 3.28Å; T79-V109 WeakPolarHBondContact O-CB 3.27Å; T79-V109 WeakPolarHBondContact O-CG1 3.27Å; T79-V109 WeakPolarHBondContact O-CG2 3.14Å; T83-V109 PolarHBondContact OG1-N 3.33Å; T83-V109 PolarHBondContact OG1-O 3.49Å; L107-V109 HydrophobicContact CD2-CG2 4.39Å; L107-V109 HydrophobicContact CG-CG2 4.2Å
110	S	80.7	Confident	87.2	Confident	45 Å²	45	69.4 Å²	69.4	32%	0.315	39%	0.394	S	S	.	.			trans	-132.6	143.4	180	67.1	0	0	0	0	110.9	L3 V4 P6	L3-S110 WeakPolarHBondContact CD1-OG 3.34Å; V4-S110 PolarHBondContact O-N 3.1Å; P6-S110 WeakPolarHBondContact CD-O 3.4Å
111	S	70.8	Confident	87.4	Confident	155 Å²	155	65.8 Å²	65.8	100%	1.084	39%	0.391	S	S	*	.			trans	-69.5	0	173.7	61.2	0	0	0	0	112.8

Retrieved 111 of 111 residues in 23.9 ms (Link to these results)

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