X5J4Z2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Z2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J4Z2_MOUSE|X5J4Z2
PGLVKPSQSLFLTCSITGFPITSGYYWIWIRQSPGKPLEWMGYITHSGETFYNPSLQSPISITRETSKNQFFLQLNSVTTEDTAMYYCAGDRYGYDYFDYWGQGTTLTVS
					

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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	57.5	Low	80	Confident	97 Å²	97	82.5 Å²	82.5	63%	0.63	47%	0.472	S	S	*	.				0	141.7	0	16.8	4.4	0	0	0	110.5	T105	P1-T105 HydrophobicContact CB-CG2 4.42Å; P1-T105 WeakPolarHBondContact CD-OG1 3.33Å; P1-T105 HydrophobicContact CG-CG2 3.33Å; P1-T105 WeakPolarHBondContact CG-OG1 3.41Å
2	G	70.6	Confident	81.2	Confident	44 Å²	44	76.3 Å²	76.3	45%	0.454	44%	0.436	S	S	.	.			trans	-135.6	-166.3	-167.9	0	0	0	0	0	111.5	V4	G2-V4 PolarHBondContact O-N 3Å
3	L	75	Confident	82.3	Confident	127 Å²	127	76.2 Å²	76.2	67%	0.665	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	122.4	180	-160.5	70.2	0	0	0	111	T108 S110	L3-T108 WeakPolarHBondContact CA-O 3.42Å; L3-T108 HydrophobicContact CD1-CG2 3.81Å; L3-S110 WeakPolarHBondContact CD1-OG 3.34Å
4	V	81.7	Confident	83.3	Confident	21 Å²	21	71.9 Å²	71.9	13%	0.127	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	151.6	175.3	-61.2	0	0	0	0	110.9	G2 L10 V78 L107 T108 V109 S110	G2-V4 PolarHBondContact O-N 3Å; V4-L10 HydrophobicContact CG1-CD1 4.28Å; V4-V78 HydrophobicContact CG2-CG2 4.04Å; V4-L107 HydrophobicContact CG1-CD1 4.13Å; V4-L107 HydrophobicContact CG2-CD1 3.74Å; V4-T108 PolarHBondContact N-O 3.44Å; V4-V109 HydrophobicContact CG2-CB 4.18Å; V4-V109 HydrophobicContact CG2-CG1 4.22Å; V4-V109 HydrophobicContact CG2-CG2 3.63Å; V4-V109 WeakPolarHBondContact O-CA 3.36Å; V4-S110 PolarHBondContact O-N 3.5Å
5	K	81.6	Confident	84.1	Confident	149 Å²	149	71.7 Å²	71.7	65%	0.648	42%	0.419	S	S	*	.			trans	-83.1	149.9	175.7	-67.6	-176.5	-179.1	-177.8	0	110.1	Q8	K5-Q8 HydrophobicContact CB-CG 4.44Å
6	P	81.6	Confident	84.6	Confident	60 Å²	60	68.4 Å²	68.4	39%	0.39	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	154.9	172.3	-25	33.7	0	0	0	113	Q8 V78 V109	P6-Q8 PolarHBondContact O-N 3.29Å; P6-V78 CarbonylContact C-O 3.42Å; P6-V78 WeakPolarHBondContact CA-O 3.39Å; P6-V109 HydrophobicContact CG-CG1 4.13Å
7	S	81.6	Confident	84.9	Confident	99 Å²	99	71.4 Å²	71.4	69%	0.692	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	8	179	-50.3	0	0	0	0	115.6	V78	S7-V78 PolarHBondContact N-O 2.78Å
8	Q	84.2	Confident	85.1	Confident	96 Å²	96	72.2 Å²	72.2	45%	0.449	45%	0.445	S	S	.	.			trans	-84.9	150.3	170.5	-66.5	-173.1	-32.5	0	0	111	K5 P6 V78	K5-Q8 HydrophobicContact CB-CG 4.44Å; P6-Q8 PolarHBondContact O-N 3.29Å; Q8-V78 HydrophobicContact CB-CG2 4.44Å; Q8-V78 WeakPolarHBondContact O-CG2 3.14Å; Q8-V78 PolarHBondContact O-N 2.87Å
9	S	87	Confident	85.4	Confident	64 Å²	64	70.7 Å²	70.7	45%	0.448	43%	0.431	S	S	.	.			trans	-88.3	138	165.6	-67.1	0	0	0	0	109.7	L75 N76	S9-L75 VanDerWaalsContact CA-O 3.26Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; S9-N76 PolarHBondContact OG-OD1 2.65Å
10	L	88.3	Confident	85.7	Confident	34 Å²	34	70.8 Å²	70.8	18%	0.178	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144	178	-175.7	72.6	0	0	0	110.4	V4 L12 Q74 L75 V78 L107	V4-L10 HydrophobicContact CG1-CD1 4.28Å; L10-L12 HydrophobicContact CD2-CD2 3.74Å; L10-L12 HydrophobicContact CD2-CG 4.31Å; L10-L12 HydrophobicContact CG-CD2 4.28Å; L10-Q74 CarbonylContact O-C 3.41Å; L10-Q74 WeakPolarHBondContact O-CA 3.42Å; L10-L75 HydrophobicContact CD2-CD1 4.5Å; L10-L75 PolarHBondContact N-O 3.21Å; L10-L75 PolarHBondContact O-N 3.06Å; L10-V78 HydrophobicContact CB-CG1 4.37Å; L10-L107 HydrophobicContact CD2-CD1 3.37Å; L10-L107 HydrophobicContact CD2-CD2 3.46Å; L10-L107 VanDerWaalsContact CD2-CD2 3.46Å; L10-L107 HydrophobicContact CD2-CG 3.99Å
11	F	90.9	Very high	86.1	Confident	117 Å²	117	67.5 Å²	67.5	51%	0.513	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.6	171.5	-63.1	-92.4	0	0	0	109.7	L73 Q74	F11-L73 CarbonylContact C-O 3.45Å; F11-L73 WeakPolarHBondContact CA-O 3.41Å; F11-Q74 HydrophobicContact CD1-CB 3.79Å; F11-Q74 HydrophobicContact CD1-CG 3.94Å; F11-Q74 HydrophobicContact CE1-CB 3.63Å; F11-Q74 HydrophobicContact CE1-CG 3.42Å; F11-Q74 VanDerWaalsContact CE1-CG 3.42Å; F11-Q74 HydrophobicContact CE2-CG 4.46Å; F11-Q74 HydrophobicContact CZ-CB 4.42Å; F11-Q74 VanDerWaalsContact CZ-CD 3.41Å; F11-Q74 HydrophobicContact CZ-CG 3.72Å
12	L	94.3	Very high	87.8	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.037	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140.6	168	-56.5	-179.6	0	0	0	108.8	L10 W29 F72 L73 Y86 T105	L10-L12 HydrophobicContact CD2-CD2 3.74Å; L10-L12 HydrophobicContact CD2-CG 4.31Å; L10-L12 HydrophobicContact CG-CD2 4.28Å; L12-W29 HydrophobicContact CB-CH2 3.7Å; L12-W29 HydrophobicContact CB-CZ2 4.28Å; L12-W29 HydrophobicContact CB-CZ3 4.13Å; L12-W29 HydrophobicContact CD1-CZ3 4.32Å; L12-F72 CarbonylContact O-C 3.49Å; L12-F72 WeakPolarHBondContact O-CA 3.37Å; L12-L73 HydrophobicContact CB-CB 4.3Å; L12-L73 HydrophobicContact CD1-CD2 4.18Å; L12-L73 PolarHBondContact N-O 2.97Å; L12-L73 PolarHBondContact O-N 2.86Å; L12-Y86 HydrophobicContact CD1-CD1 3.64Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CE1 4.33Å; L12-Y86 HydrophobicContact CD1-CG 3.45Å; L12-Y86 VanDerWaalsContact CD1-CG 3.45Å; L12-T105 HydrophobicContact CD1-CG2 4.34Å; L12-T105 HydrophobicContact CD2-CG2 3.92Å
13	T	95.8	Very high	88.7	Confident	76 Å²	76	65.9 Å²	65.9	47%	0.466	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.2	-178	-55.2	0	0	0	0	109.8	Q70 F72	T13-Q70 HydrophobicContact CG2-CB 4.26Å; T13-Q70 HydrophobicContact CG2-CG 3.98Å; T13-F72 HydrophobicContact CG2-CD1 3.8Å; T13-F72 HydrophobicContact CG2-CE1 3.44Å; T13-F72 VanDerWaalsContact CG2-CE1 3.44Å; T13-F72 HydrophobicContact CG2-CZ 4.34Å; T13-F72 VanDerWaalsContact OG1-CD1 3.28Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.24Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.04Å
14	C	95.7	Very high	89.4	Confident	15 Å²	15	61.3 Å²	61.3	10%	0.101	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.5	166.6	-173.3	0	0	0	0	109.5	W29 Q70 F71 C88	C14-W29 HydrophobicContact CB-CH2 4.06Å; C14-W29 HydrophobicContact CB-CZ2 3.95Å; C14-Q70 VanDerWaalsContact O-CA 3.29Å; C14-Q70 WeakPolarHBondContact O-CA 3.19Å; 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 4.28Å; C14-F71 HydrophobicContact CB-CG 4.43Å; C14-F71 HydrophobicContact CB-CZ 3.75Å; C14-F71 PolarHBondContact N-O 3.48Å; C14-F71 PolarHBondContact O-N 2.77Å; C14-F71 WeakPolarHBondContact SG-CE1 3.2Å; C14-C88 HydrophobicContact CB-CB 3.4Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 2.88Å
15	S	95.3	Very high	89.8	Confident	69 Å²	69	61.2 Å²	61.2	48%	0.483	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.9	178	-56.8	0	0	0	0	109.8	Q70	S15-Q70 WeakPolarHBondContact OG-CG 3.36Å; S15-Q70 PolarHBondContact OG-NE2 2.8Å
16	I	92.7	Very high	90.3	Very high	19 Å²	19	56.7 Å²	56.7	10%	0.097	35%	0.354	C	S	.	.			trans	-91.5	140	178.2	-63.4	151.6	0	0	0	108.5	F19 I21 W27 N69 F71	I16-F19 HydrophobicContact CG2-CD2 4.36Å; I16-F19 HydrophobicContact CG2-CE2 4.14Å; I16-F19 HydrophobicContact CG2-CZ 4.23Å; I16-I21 HydrophobicContact CD1-CB 3.64Å; I16-I21 HydrophobicContact CD1-CD1 3.65Å; I16-I21 HydrophobicContact CD1-CG1 3.38Å; I16-W27 HydrophobicContact CB-CH2 4.4Å; I16-W27 HydrophobicContact CD1-CD2 3.61Å; I16-W27 HydrophobicContact CD1-CE3 3.7Å; I16-W27 HydrophobicContact CD1-CG 4.35Å; I16-W27 HydrophobicContact CD1-CH2 3.5Å; I16-W27 HydrophobicContact CD1-CZ2 3.48Å; I16-W27 VanDerWaalsContact CD1-CZ2 3.48Å; I16-W27 HydrophobicContact CD1-CZ3 3.65Å; I16-W27 HydrophobicContact CG1-CD2 4.49Å; I16-W27 HydrophobicContact CG1-CE3 4.09Å; I16-W27 HydrophobicContact CG1-CH2 3.77Å; I16-W27 HydrophobicContact CG1-CZ2 4.25Å; I16-W27 HydrophobicContact CG1-CZ3 3.72Å; I16-W27 HydrophobicContact CG2-CH2 3.73Å; I16-W27 HydrophobicContact CG2-CZ2 4.33Å; I16-W27 HydrophobicContact CG2-CZ3 4.34Å; I16-N69 PolarHBondContact N-O 3Å; I16-N69 PolarHBondContact O-ND2 2.85Å; I16-F71 HydrophobicContact CD1-CD1 3.95Å; I16-F71 HydrophobicContact CD1-CE1 4.13Å; I16-F71 HydrophobicContact CG1-CD1 4.39Å; I16-F71 HydrophobicContact CG1-CE1 4.24Å
17	T	90.1	Very high	91	Very high	119 Å²	119	54.1 Å²	54.1	73%	0.73	34%	0.337	S	S	*	.			trans	-125.8	152.9	178.5	59.6	0	0	0	0	109.8	F19	T17-F19 VanDerWaalsContact C-N 3.31Å; T17-F19 PolarHBondContact O-N 3.01Å
18	G	88.2	Confident	91.6	Very high	87 Å²	87	49.7 Å²	49.7	90%	0.897	31%	0.306	S	S	*	.	S	Bend	trans	87.8	-25.2	177.9	0	0	0	0	0	115.6
19	F	89.7	Confident	92.2	Very high	43 Å²	43	45.4 Å²	45.4	19%	0.189	29%	0.285	C	S	.	.	S	Bend	trans	-158.8	163.4	178.1	56.3	-86.6	0	0	0	113	I16 T17 Y25 W27 N69 Y100	I16-F19 HydrophobicContact CG2-CD2 4.36Å; I16-F19 HydrophobicContact CG2-CE2 4.14Å; I16-F19 HydrophobicContact CG2-CZ 4.23Å; T17-F19 VanDerWaalsContact C-N 3.31Å; T17-F19 PolarHBondContact O-N 3.01Å; F19-Y25 HydrophobicContact CD2-CD2 4.22Å; F19-Y25 AromaticContact CD2-CE2 3.82Å; F19-Y25 HydrophobicContact CD2-CE2 3.82Å; F19-Y25 AromaticContact CE2-CD2 3.46Å; F19-Y25 HydrophobicContact CE2-CD2 3.46Å; F19-Y25 VanDerWaalsContact CE2-CD2 3.46Å; F19-Y25 HydrophobicContact CE2-CE1 4.45Å; F19-Y25 AromaticContact CE2-CE2 3.19Å; F19-Y25 HydrophobicContact CE2-CE2 3.19Å; F19-Y25 HydrophobicContact CE2-CG 4.21Å; F19-Y25 AromaticContact CE2-CZ 3.76Å; F19-Y25 HydrophobicContact CZ-CD2 4.18Å; F19-Y25 HydrophobicContact CZ-CE1 4.25Å; F19-Y25 AromaticContact CZ-CE2 3.7Å; F19-Y25 HydrophobicContact CZ-CE2 3.7Å; F19-Y25 AromaticContact CZ-CZ 3.75Å; F19-W27 HydrophobicContact CD2-CH2 4.43Å; F19-W27 AromaticContact CE2-CH2 3.35Å; F19-W27 HydrophobicContact CE2-CH2 3.35Å; F19-W27 AromaticContact CE2-CZ2 3.75Å; F19-W27 HydrophobicContact CE2-CZ2 3.75Å; F19-W27 AromaticContact CZ-CH2 3.67Å; F19-W27 HydrophobicContact CZ-CH2 3.67Å; F19-W27 HydrophobicContact CZ-CZ2 4.49Å; F19-N69 PolarHBondContact O-ND2 3.15Å; F19-Y100 HydrophobicContact CE1-CD2 4.34Å; F19-Y100 HydrophobicContact CE1-CE1 4.35Å; F19-Y100 AromaticContact CE1-CE2 3.72Å; F19-Y100 HydrophobicContact CE1-CE2 3.72Å; F19-Y100 AromaticContact CE1-CZ 3.73Å; F19-Y100 AromaticContact CZ-CD2 3.98Å; F19-Y100 HydrophobicContact CZ-CD2 3.98Å; F19-Y100 AromaticContact CZ-CE2 3.6Å; F19-Y100 HydrophobicContact CZ-CE2 3.6Å
20	P	92.9	Very high	92.6	Very high	73 Å²	73	42.7 Å²	42.7	47%	0.474	27%	0.266	S	S	.	.			trans	-66.9	143.3	178.1	-21	33.1	0	0	0	113.1	T22 S23 N69	P20-T22 PolarHBondContact O-N 3.4Å; P20-T22 VanDerWaalsContact O-N 3.13Å; P20-S23 WeakPolarHBondContact O-CB 3.48Å; P20-S23 PolarHBondContact O-N 2.86Å; P20-S23 PolarHBondContact O-OG 3.43Å; P20-N69 WeakPolarHBondContact CA-OD1 3.45Å
21	I	93.2	Very high	92.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.1	175.2	-173.2	169.4	0	0	0	112.8	I16 S23 W27 R64 T66 N69 Q70 F71	I16-I21 HydrophobicContact CD1-CB 3.64Å; I16-I21 HydrophobicContact CD1-CD1 3.65Å; I16-I21 HydrophobicContact CD1-CG1 3.38Å; I21-S23 VanDerWaalsContact C-N 3.27Å; I21-W27 HydrophobicContact CG1-CD2 4.48Å; I21-W27 HydrophobicContact CG1-CG 4.37Å; I21-W27 HydrophobicContact CG1-CZ2 4.41Å; I21-W27 PolarHBondContact O-NE1 2.72Å; I21-R64 HydrophobicContact CD1-CB 3.89Å; I21-T66 HydrophobicContact CG2-CG2 4.02Å; I21-N69 WeakPolarHBondContact CB-OD1 3.41Å; I21-N69 PolarHBondContact N-OD1 2.9Å; I21-Q70 VanDerWaalsContact CD1-O 3.24Å; I21-Q70 WeakPolarHBondContact CD1-O 3.17Å; I21-F71 HydrophobicContact CD1-CB 3.92Å; I21-F71 HydrophobicContact CD1-CD1 4.31Å
22	T	93.6	Very high	93.1	Very high	73 Å²	73	39.7 Å²	39.7	45%	0.448	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.3	173.6	54.1	0	0	0	0	113	P20 T66	P20-T22 PolarHBondContact O-N 3.4Å; P20-T22 VanDerWaalsContact O-N 3.13Å; T22-T66 HydrophobicContact CG2-CG2 3.75Å
23	S	88.6	Confident	93.1	Very high	35 Å²	35	40 Å²	40	25%	0.245	26%	0.255	C	S	.	.	S	Bend	trans	-66	146.1	169.5	-53.7	0	0	0	0	109.1	P20 I21 Y25 H46	P20-S23 WeakPolarHBondContact O-CB 3.48Å; P20-S23 PolarHBondContact O-N 2.86Å; P20-S23 PolarHBondContact O-OG 3.43Å; I21-S23 VanDerWaalsContact C-N 3.27Å; S23-Y25 WeakPolarHBondContact O-CD2 3.41Å; S23-Y25 PolarHBondContact O-N 3.39Å; S23-H46 WeakPolarHBondContact O-CB 3.38Å
24	G	89.9	Confident	93	Very high	31 Å²	31	41.4 Å²	41.4	32%	0.32	27%	0.265	S	S	.	.	S	Bend	trans	-58.6	69.6	-170.8	0	0	0	0	0	116	Y93	G24-Y93 WeakPolarHBondContact O-CB 3.24Å; G24-Y93 PolarHBondContact O-N 3.05Å
25	Y	91	Very high	92.9	Very high	19 Å²	19	45.1 Å²	45.1	8%	0.075	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.1	179.8	-68.4	-93.1	0	0	0	110.4	F19 S23 W27 H46 D91 R92 D99 Y100	F19-Y25 HydrophobicContact CD2-CD2 4.22Å; F19-Y25 AromaticContact CD2-CE2 3.82Å; F19-Y25 HydrophobicContact CD2-CE2 3.82Å; F19-Y25 AromaticContact CE2-CD2 3.46Å; F19-Y25 HydrophobicContact CE2-CD2 3.46Å; F19-Y25 VanDerWaalsContact CE2-CD2 3.46Å; F19-Y25 HydrophobicContact CE2-CE1 4.45Å; F19-Y25 AromaticContact CE2-CE2 3.19Å; F19-Y25 HydrophobicContact CE2-CE2 3.19Å; F19-Y25 HydrophobicContact CE2-CG 4.21Å; F19-Y25 AromaticContact CE2-CZ 3.76Å; F19-Y25 HydrophobicContact CZ-CD2 4.18Å; F19-Y25 HydrophobicContact CZ-CE1 4.25Å; F19-Y25 AromaticContact CZ-CE2 3.7Å; F19-Y25 HydrophobicContact CZ-CE2 3.7Å; F19-Y25 AromaticContact CZ-CZ 3.75Å; S23-Y25 WeakPolarHBondContact O-CD2 3.41Å; S23-Y25 PolarHBondContact O-N 3.39Å; Y25-W27 HydrophobicContact CD2-CH2 4.32Å; Y25-W27 HydrophobicContact CD2-CZ2 4.1Å; Y25-W27 HydrophobicContact CG-CH2 4.12Å; Y25-W27 HydrophobicContact CG-CZ2 4.03Å; Y25-H46 PolarHBondContact O-N 3.3Å; Y25-D91 CarbonylContact C-O 3.48Å; Y25-D91 WeakPolarHBondContact CA-O 3.12Å; Y25-R92 HydrophobicContact CD1-CB 3.78Å; Y25-R92 HydrophobicContact CD1-CG 4.38Å; Y25-R92 HydrophobicContact CE1-CB 3.54Å; Y25-R92 HydrophobicContact CE1-CG 4.01Å; Y25-D99 HydrophobicContact CE1-CB 4.39Å; Y25-Y100 HydrophobicContact CE1-CD2 4.09Å; Y25-Y100 AromaticContact CE1-CE2 3.68Å; Y25-Y100 HydrophobicContact CE1-CE2 3.68Å; Y25-Y100 AromaticContact CZ-CE2 3.92Å
26	Y	92.9	Very high	92.8	Very high	53 Å²	53	48.1 Å²	48.1	21%	0.208	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.3	159.4	-55	-70.5	0	0	0	108.4	Y43 T45 G90 D91 Y93	Y26-Y43 AromaticContact CD1-CD2 3.84Å; Y26-Y43 HydrophobicContact CD1-CD2 3.84Å; Y26-Y43 AromaticContact CD1-CE2 3.65Å; Y26-Y43 HydrophobicContact CD1-CE2 3.65Å; Y26-Y43 HydrophobicContact CE1-CE2 4.05Å; Y26-Y43 HydrophobicContact CG-CD2 4.43Å; Y26-T45 HydrophobicContact CD1-CG2 3.8Å; Y26-T45 HydrophobicContact CE1-CG2 3.8Å; Y26-G90 WeakPolarHBondContact O-CA 3.28Å; Y26-D91 HydrophobicContact CD2-CB 4.44Å; Y26-D91 PolarHBondContact N-O 2.81Å; Y26-D91 PolarHBondContact O-N 2.79Å; Y26-Y93 HydrophobicContact CE1-CD2 4.14Å; Y26-Y93 HydrophobicContact CE1-CE2 4.41Å; Y26-Y93 AromaticContact CE2-CD2 3.87Å; Y26-Y93 HydrophobicContact CE2-CD2 3.87Å; Y26-Y93 AromaticContact CZ-CD2 3.43Å; Y26-Y93 VanDerWaalsContact CZ-CD2 3.43Å; Y26-Y93 AromaticContact CZ-CE2 3.74Å; Y26-Y93 WeakPolarHBondContact OH-CD2 3.33Å; Y26-Y93 WeakPolarHBondContact OH-CE2 3.28Å
27	W	95.1	Very high	92.8	Very high	6 Å²	6	52.3 Å²	52.3	2%	0.023	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.5	179.2	-58	112	0	0	0	109.3	I16 F19 I21 Y25 Y43 I44 F71	I16-W27 HydrophobicContact CB-CH2 4.4Å; I16-W27 HydrophobicContact CD1-CD2 3.61Å; I16-W27 HydrophobicContact CD1-CE3 3.7Å; I16-W27 HydrophobicContact CD1-CG 4.35Å; I16-W27 HydrophobicContact CD1-CH2 3.5Å; I16-W27 HydrophobicContact CD1-CZ2 3.48Å; I16-W27 VanDerWaalsContact CD1-CZ2 3.48Å; I16-W27 HydrophobicContact CD1-CZ3 3.65Å; I16-W27 HydrophobicContact CG1-CD2 4.49Å; I16-W27 HydrophobicContact CG1-CE3 4.09Å; I16-W27 HydrophobicContact CG1-CH2 3.77Å; I16-W27 HydrophobicContact CG1-CZ2 4.25Å; I16-W27 HydrophobicContact CG1-CZ3 3.72Å; I16-W27 HydrophobicContact CG2-CH2 3.73Å; I16-W27 HydrophobicContact CG2-CZ2 4.33Å; I16-W27 HydrophobicContact CG2-CZ3 4.34Å; F19-W27 HydrophobicContact CD2-CH2 4.43Å; F19-W27 AromaticContact CE2-CH2 3.35Å; F19-W27 HydrophobicContact CE2-CH2 3.35Å; F19-W27 AromaticContact CE2-CZ2 3.75Å; F19-W27 HydrophobicContact CE2-CZ2 3.75Å; F19-W27 AromaticContact CZ-CH2 3.67Å; F19-W27 HydrophobicContact CZ-CH2 3.67Å; F19-W27 HydrophobicContact CZ-CZ2 4.49Å; I21-W27 HydrophobicContact CG1-CD2 4.48Å; I21-W27 HydrophobicContact CG1-CG 4.37Å; I21-W27 HydrophobicContact CG1-CZ2 4.41Å; I21-W27 PolarHBondContact O-NE1 2.72Å; Y25-W27 HydrophobicContact CD2-CH2 4.32Å; Y25-W27 HydrophobicContact CD2-CZ2 4.1Å; Y25-W27 HydrophobicContact CG-CH2 4.12Å; Y25-W27 HydrophobicContact CG-CZ2 4.03Å; W27-Y43 CarbonylContact O-C 3.53Å; W27-Y43 WeakPolarHBondContact O-CA 3.43Å; W27-Y43 VanDerWaalsContact O-CB 3.3Å; W27-Y43 WeakPolarHBondContact O-CB 3.38Å; W27-I44 HydrophobicContact CB-CG2 3.82Å; W27-I44 PolarHBondContact N-O 3.17Å; W27-I44 PolarHBondContact O-N 3Å; W27-F71 HydrophobicContact CB-CD1 4.03Å; W27-F71 HydrophobicContact CB-CD2 3.93Å; W27-F71 HydrophobicContact CB-CE1 3.89Å; W27-F71 HydrophobicContact CB-CE2 3.81Å; W27-F71 HydrophobicContact CB-CG 4.03Å; W27-F71 HydrophobicContact CB-CZ 3.74Å; W27-F71 HydrophobicContact CD2-CE1 4.33Å; W27-F71 HydrophobicContact CE3-CE1 4.05Å; W27-F71 HydrophobicContact CE3-CZ 4.46Å; W27-F71 HydrophobicContact CG-CD1 4.34Å; W27-F71 HydrophobicContact CG-CE1 4.3Å
28	I	95.3	Very high	93	Very high	7 Å²	7	51 Å²	51	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.9	-157.3	-56.3	172.2	0	0	0	109.3	I30 W40 C88 A89 D91 F98	I28-I30 HydrophobicContact CG2-CD1 4.25Å; I28-I30 HydrophobicContact CG2-CG1 3.91Å; I28-W40 VanDerWaalsContact CG2-CD1 3.45Å; I28-C88 CarbonylContact O-C 3.58Å; I28-C88 VanDerWaalsContact O-CA 3.28Å; I28-C88 WeakPolarHBondContact O-CA 3.29Å; I28-A89 HydrophobicContact CB-CB 4.38Å; I28-A89 PolarHBondContact N-O 3.13Å; I28-A89 PolarHBondContact O-N 2.77Å; I28-D91 HydrophobicContact CD1-CB 3.61Å; I28-F98 HydrophobicContact CB-CE1 4.39Å; I28-F98 HydrophobicContact CD1-CD1 3.89Å; I28-F98 HydrophobicContact CD1-CE1 3.33Å; I28-F98 HydrophobicContact CD1-CZ 4.31Å; I28-F98 HydrophobicContact CG1-CE1 4.4Å; I28-F98 HydrophobicContact CG2-CE1 4.23Å
29	W	96.3	Very high	93.3	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.019	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.5	169.1	-78.1	104.8	0	0	0	110.6	L12 C14 M41 G42 F71 L73 Y87 C88	L12-W29 HydrophobicContact CB-CH2 3.7Å; L12-W29 HydrophobicContact CB-CZ2 4.28Å; L12-W29 HydrophobicContact CB-CZ3 4.13Å; L12-W29 HydrophobicContact CD1-CZ3 4.32Å; C14-W29 HydrophobicContact CB-CH2 4.06Å; C14-W29 HydrophobicContact CB-CZ2 3.95Å; W29-M41 HydrophobicContact CB-CB 4.26Å; W29-M41 WeakPolarHBondContact O-CB 3.27Å; W29-M41 PolarHBondContact O-N 3.11Å; W29-G42 PolarHBondContact N-O 3.34Å; W29-F71 AromaticContact CD1-CD2 3.91Å; W29-F71 AromaticContact CD1-CE2 3.74Å; W29-F71 HydrophobicContact CD2-CE2 4.33Å; W29-F71 AromaticContact CE2-CD2 3.93Å; W29-F71 AromaticContact CE2-CE2 3.72Å; W29-F71 HydrophobicContact CG-CE2 4.35Å; W29-F71 HydrophobicContact CZ2-CD2 4.36Å; W29-F71 HydrophobicContact CZ2-CE2 4.26Å; W29-F71 AromaticContact NE1-CD2 3.25Å; W29-F71 AromaticContact NE1-CE2 3.32Å; W29-F71 VanDerWaalsContact NE1-CE2 3.32Å; W29-L73 HydrophobicContact CB-CD1 4.47Å; W29-L73 HydrophobicContact CB-CD2 4.37Å; W29-L73 HydrophobicContact CD2-CB 3.67Å; W29-L73 HydrophobicContact CD2-CD2 4.11Å; W29-L73 HydrophobicContact CD2-CG 4.41Å; W29-L73 VanDerWaalsContact CE2-CB 3.47Å; W29-L73 HydrophobicContact CE3-CB 4.27Å; W29-L73 HydrophobicContact CE3-CD2 4.19Å; W29-L73 HydrophobicContact CG-CB 3.92Å; W29-L73 HydrophobicContact CG-CD1 4.26Å; W29-L73 HydrophobicContact CG-CD2 4.19Å; W29-L73 HydrophobicContact CG-CG 4.37Å; W29-L73 HydrophobicContact CH2-CB 4.48Å; W29-L73 HydrophobicContact CZ2-CB 3.91Å; W29-Y87 VanDerWaalsContact CE3-O 3.29Å; W29-C88 HydrophobicContact CE3-CB 4.25Å; W29-C88 HydrophobicContact CH2-CB 4.21Å; W29-C88 HydrophobicContact CZ2-CB 4.48Å; W29-C88 HydrophobicContact CZ3-CB 4.09Å
30	I	95.4	Very high	93.5	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.036	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.6	-177.6	-54.3	172.8	0	0	0	107	I28 L38 E39 Y86 Y87 A89 F98 W101	I28-I30 HydrophobicContact CG2-CD1 4.25Å; I28-I30 HydrophobicContact CG2-CG1 3.91Å; I30-L38 HydrophobicContact CG2-CB 3.91Å; I30-L38 HydrophobicContact CG2-CD2 3.71Å; I30-L38 HydrophobicContact CG2-CG 4.35Å; I30-E39 WeakPolarHBondContact CA-O 3.46Å; I30-E39 WeakPolarHBondContact CG2-O 3.43Å; I30-Y86 CarbonylContact O-C 3.42Å; I30-Y86 WeakPolarHBondContact O-CA 3.07Å; I30-Y87 PolarHBondContact N-O 3.14Å; I30-Y87 PolarHBondContact O-N 3Å; I30-A89 HydrophobicContact CD1-CB 4.23Å; I30-F98 HydrophobicContact CD1-CE1 4.22Å; I30-F98 HydrophobicContact CD1-CZ 4.33Å; I30-W101 HydrophobicContact CD1-CH2 3.3Å; I30-W101 HydrophobicContact CD1-CZ2 3.88Å; I30-W101 HydrophobicContact CD1-CZ3 3.77Å
31	R	94.7	Very high	93.6	Very high	20 Å²	20	48.3 Å²	48.3	8%	0.075	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	156	171.3	68.6	177.7	-176.2	-177.4	0.2	111.6	E39 M41 D82 A84 M85 Y86	R31-E39 HydrophobicContact CG-CB 4.14Å; R31-E39 IonicContact CZ-OE2 3.41Å; R31-E39 VanDerWaalsContact CZ-OE2 3.23Å; R31-E39 PolarHBondContact N-O 2.76Å; R31-E39 IonicContact NE-OE2 3.27Å; R31-E39 PolarHBondContact NE-OE2 2.9Å; R31-E39 IonicContact NH2-OE1 2.72Å; R31-E39 PolarHBondContact NH2-OE1 2.9Å; R31-E39 IonicContact NH2-OE2 2.86Å; R31-E39 PolarHBondContact NH2-OE2 2.92Å; R31-E39 PolarHBondContact O-N 2.83Å; R31-M41 HydrophobicContact CB-CG 4.28Å; R31-M41 HydrophobicContact CB-SD 3.66Å; R31-M41 HydrophobicContact CG-CG 3.9Å; R31-M41 HydrophobicContact CG-SD 3.72Å; R31-D82 IonicContact NH1-OD1 2.75Å; R31-D82 PolarHBondContact NH1-OD1 2.82Å; R31-A84 HydrophobicContact CB-CB 4.18Å; R31-M85 CarbonylContact C-O 3.59Å; R31-M85 VanDerWaalsContact CA-O 3.27Å; R31-M85 WeakPolarHBondContact CA-O 3.26Å; R31-Y86 HydrophobicContact CB-CD1 3.9Å; R31-Y86 HydrophobicContact CB-CE1 3.87Å; R31-Y86 HydrophobicContact CB-CG 4.39Å
32	Q	95.3	Very high	93.7	Very high	69 Å²	69	48.3 Å²	48.3	32%	0.322	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	103.6	174.4	-170.1	180	22.8	0	0	109.1	K36 L38 A84 M85 Y87	Q32-K36 WeakPolarHBondContact CG-O 3.42Å; Q32-L38 HydrophobicContact CB-CD2 3.92Å; Q32-L38 HydrophobicContact CG-CD2 4.35Å; Q32-A84 WeakPolarHBondContact O-CA 3.31Å; Q32-A84 WeakPolarHBondContact O-CB 3.32Å; Q32-M85 HydrophobicContact CB-CB 4.48Å; Q32-M85 PolarHBondContact N-O 3.12Å; Q32-M85 PolarHBondContact O-N 3.4Å; Q32-Y87 HydrophobicContact CB-CE2 3.86Å; Q32-Y87 PolarHBondContact OE1-OH 2.68Å; Q32-Y87 VanDerWaalsContact OE1-OH 3.06Å
33	S	93.5	Very high	93.8	Very high	14 Å²	14	47.2 Å²	47.2	10%	0.098	27%	0.269	C	S	.	.			trans	-69.6	153.3	171.2	-51.5	0	0	0	0	110.4	G35 K36	S33-G35 PolarHBondContact O-N 2.92Å; S33-K36 PolarHBondContact O-N 3Å
34	P	93.1	Very high	94.1	Very high	104 Å²	104	45.9 Å²	45.9	68%	0.675	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	125.1	176.6	-26.7	34.8	0	0	0	112.2	K36 T83	P34-K36 PolarHBondContact O-N 2.97Å; P34-T83 WeakPolarHBondContact CD-O 3.48Å
35	G	93.3	Very high	94.3	Very high	93 Å²	93	44.6 Å²	44.6	96%	0.959	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	6.5	179.8	0	0	0	0	0	115.8	S33	S33-G35 PolarHBondContact O-N 2.92Å
36	K	93.3	Very high	94.3	Very high	133 Å²	133	46.7 Å²	46.7	58%	0.578	26%	0.255	S	S	*	.	S	Bend	trans	-108.9	156.6	177.7	-65.2	-164.3	-175.8	175.7	0	111.8	Q32 S33 P34	Q32-K36 WeakPolarHBondContact CG-O 3.42Å; S33-K36 PolarHBondContact O-N 3Å; P34-K36 PolarHBondContact O-N 2.97Å
37	P	93.9	Very high	94.3	Very high	107 Å²	107	47.4 Å²	47.4	70%	0.695	27%	0.268	S	S	*	.			trans	-65.5	170.9	170.7	29.6	-36.3	0	0	0	111.5	E39	P37-E39 PolarHBondContact O-N 3.29Å
38	L	94.1	Very high	94.2	Very high	91 Å²	91	48.5 Å²	48.5	48%	0.476	28%	0.281	S	S	.	.			trans	-63.2	132.1	171	-70.1	163.7	0	0	0	110.2	I30 Q32 Y87 W101	I30-L38 HydrophobicContact CG2-CB 3.91Å; I30-L38 HydrophobicContact CG2-CD2 3.71Å; I30-L38 HydrophobicContact CG2-CG 4.35Å; Q32-L38 HydrophobicContact CB-CD2 3.92Å; Q32-L38 HydrophobicContact CG-CD2 4.35Å; L38-Y87 HydrophobicContact CD2-CD2 3.94Å; L38-Y87 HydrophobicContact CD2-CE2 3.81Å; L38-W101 HydrophobicContact CD1-CH2 4.03Å; L38-W101 HydrophobicContact CD1-CZ3 4.45Å
39	E	94	Very high	94.2	Very high	56 Å²	56	53.9 Å²	53.9	26%	0.262	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	115.4	177.5	-174.3	-177.7	-167.6	0	0	108.8	I30 R31 P37 M41	I30-E39 WeakPolarHBondContact CA-O 3.46Å; I30-E39 WeakPolarHBondContact CG2-O 3.43Å; R31-E39 HydrophobicContact CG-CB 4.14Å; R31-E39 IonicContact CZ-OE2 3.41Å; R31-E39 VanDerWaalsContact CZ-OE2 3.23Å; R31-E39 PolarHBondContact N-O 2.76Å; R31-E39 IonicContact NE-OE2 3.27Å; R31-E39 PolarHBondContact NE-OE2 2.9Å; R31-E39 IonicContact NH2-OE1 2.72Å; R31-E39 PolarHBondContact NH2-OE1 2.9Å; R31-E39 IonicContact NH2-OE2 2.86Å; R31-E39 PolarHBondContact NH2-OE2 2.92Å; R31-E39 PolarHBondContact O-N 2.83Å; P37-E39 PolarHBondContact O-N 3.29Å; E39-M41 PolarHBondContact O-N 3.44Å
40	W	93.9	Very high	94.2	Very high	90 Å²	90	56.2 Å²	56.2	34%	0.341	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	131.1	171.9	171.1	72.5	0	0	0	109.8	I28 G42 Y43 N53	I28-W40 VanDerWaalsContact CG2-CD1 3.45Å; W40-G42 VanDerWaalsContact CZ2-CA 3.45Å; W40-G42 PolarHBondContact NE1-O 2.94Å; W40-Y43 AromaticContact CZ2-CD1 3.6Å; W40-Y43 HydrophobicContact CZ2-CD1 3.6Å; W40-Y43 AromaticContact CZ2-CE1 3.99Å; W40-Y43 HydrophobicContact CZ2-CE1 3.99Å; W40-N53 HydrophobicContact CD2-CB 4.31Å; W40-N53 HydrophobicContact CE3-CB 3.45Å; W40-N53 VanDerWaalsContact CE3-CB 3.45Å; W40-N53 HydrophobicContact CH2-CB 4.23Å; W40-N53 HydrophobicContact CZ3-CB 3.42Å; W40-N53 VanDerWaalsContact CZ3-CB 3.42Å; W40-N53 WeakPolarHBondContact O-CB 3.41Å; W40-N53 PolarHBondContact O-ND2 2.88Å
41	M	94.9	Very high	94.2	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-38.4	-177.3	-60.5	-172.7	69.4	0	0	112.7	W29 R31 E39 N53 L56 I60 L73 L75 Y86	W29-M41 HydrophobicContact CB-CB 4.26Å; W29-M41 WeakPolarHBondContact O-CB 3.27Å; W29-M41 PolarHBondContact O-N 3.11Å; R31-M41 HydrophobicContact CB-CG 4.28Å; R31-M41 HydrophobicContact CB-SD 3.66Å; R31-M41 HydrophobicContact CG-CG 3.9Å; R31-M41 HydrophobicContact CG-SD 3.72Å; E39-M41 PolarHBondContact O-N 3.44Å; M41-N53 WeakPolarHBondContact O-CB 3.34Å; M41-N53 PolarHBondContact O-N 3.03Å; M41-L56 HydrophobicContact CB-CD1 3.95Å; M41-L56 HydrophobicContact CE-CD1 4.42Å; M41-L56 HydrophobicContact CE-CD2 4.27Å; M41-L56 HydrophobicContact CG-CD2 4.33Å; M41-L56 WeakPolarHBondContact O-CD1 3.07Å; M41-I60 HydrophobicContact CB-CD1 4.01Å; M41-I60 HydrophobicContact CE-CD1 4.14Å; M41-I60 HydrophobicContact CE-CG2 3.9Å; M41-L73 HydrophobicContact CE-CD2 4Å; M41-L73 HydrophobicContact SD-CD2 3.95Å; M41-L75 HydrophobicContact CE-CD2 4Å; M41-Y86 HydrophobicContact CE-CE1 3.98Å; M41-Y86 HydrophobicContact SD-CD1 3.85Å; M41-Y86 HydrophobicContact SD-CE1 3.66Å
42	G	95.3	Very high	94.2	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.4	175	-172.8	0	0	0	0	0	111.2	W29 W40 F51 I62	W29-G42 PolarHBondContact N-O 3.34Å; W40-G42 VanDerWaalsContact CZ2-CA 3.45Å; W40-G42 PolarHBondContact NE1-O 2.94Å; G42-F51 CarbonylContact C-O 3.51Å; G42-F51 WeakPolarHBondContact CA-O 2.89Å; G42-I62 VanDerWaalsContact C-CD1 3.46Å
43	Y	95.3	Very high	94.1	Very high	50 Å²	50	62.1 Å²	62.1	20%	0.196	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	162.6	173.3	67.8	-103	0	0	0	112.4	Y26 W27 W40 T45 T50 F51	Y26-Y43 AromaticContact CD1-CD2 3.84Å; Y26-Y43 HydrophobicContact CD1-CD2 3.84Å; Y26-Y43 AromaticContact CD1-CE2 3.65Å; Y26-Y43 HydrophobicContact CD1-CE2 3.65Å; Y26-Y43 HydrophobicContact CE1-CE2 4.05Å; Y26-Y43 HydrophobicContact CG-CD2 4.43Å; W27-Y43 CarbonylContact O-C 3.53Å; W27-Y43 WeakPolarHBondContact O-CA 3.43Å; W27-Y43 VanDerWaalsContact O-CB 3.3Å; W27-Y43 WeakPolarHBondContact O-CB 3.38Å; W40-Y43 AromaticContact CZ2-CD1 3.6Å; W40-Y43 HydrophobicContact CZ2-CD1 3.6Å; W40-Y43 AromaticContact CZ2-CE1 3.99Å; W40-Y43 HydrophobicContact CZ2-CE1 3.99Å; Y43-T45 HydrophobicContact CD2-CG2 4.18Å; Y43-T45 HydrophobicContact CE2-CG2 3.73Å; Y43-T50 WeakPolarHBondContact O-CA 3.04Å; Y43-F51 HydrophobicContact CD1-CB 4.18Å; Y43-F51 HydrophobicContact CD2-CB 4.48Å; Y43-F51 HydrophobicContact CD2-CD2 4.48Å; Y43-F51 HydrophobicContact CE1-CB 3.67Å; Y43-F51 HydrophobicContact CE1-CD2 4.42Å; Y43-F51 HydrophobicContact CE1-CG 4.24Å; Y43-F51 HydrophobicContact CE2-CB 4.01Å; Y43-F51 AromaticContact CE2-CD2 3.51Å; Y43-F51 HydrophobicContact CE2-CD2 3.51Å; Y43-F51 HydrophobicContact CE2-CE2 4.38Å; Y43-F51 HydrophobicContact CE2-CG 4.12Å; Y43-F51 AromaticContact CZ-CD2 3.47Å; Y43-F51 VanDerWaalsContact CZ-CD2 3.47Å; Y43-F51 AromaticContact CZ-CG 3.7Å; Y43-F51 PolarHBondContact N-O 3.18Å; Y43-F51 PolarHBondContact O-N 3.15Å; Y43-F51 WeakPolarHBondContact OH-CD2 3.45Å; Y43-F51 WeakPolarHBondContact OH-CG 3.34Å
44	I	96.3	Very high	93.9	Very high	7 Å²	7	67.3 Å²	67.3	4%	0.036	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.2	166.3	-171.4	164.5	0	0	0	109.8	W27 E49 T50 I62 R64 F71	W27-I44 HydrophobicContact CB-CG2 3.82Å; W27-I44 PolarHBondContact N-O 3.17Å; W27-I44 PolarHBondContact O-N 3Å; I44-E49 CarbonylContact C-O 3.54Å; I44-E49 VanDerWaalsContact CA-O 3.28Å; I44-E49 WeakPolarHBondContact CA-O 3.14Å; I44-T50 HydrophobicContact CB-CG2 4.03Å; I44-T50 HydrophobicContact CD1-CG2 3.85Å; I44-T50 HydrophobicContact CG1-CG2 3.81Å; I44-I62 HydrophobicContact CB-CG2 3.78Å; I44-I62 HydrophobicContact CG2-CG2 3.74Å; I44-R64 HydrophobicContact CD1-CB 4Å; I44-R64 HydrophobicContact CD1-CG 3.73Å; I44-F71 HydrophobicContact CG2-CB 4.27Å; I44-F71 HydrophobicContact CG2-CD2 4.38Å
45	T	94.3	Very high	93.6	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.031	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	164.8	179.3	70.7	0	0	0	0	111.2	Y26 Y43 S47 G48 E49 R64	Y26-T45 HydrophobicContact CD1-CG2 3.8Å; Y26-T45 HydrophobicContact CE1-CG2 3.8Å; Y43-T45 HydrophobicContact CD2-CG2 4.18Å; Y43-T45 HydrophobicContact CE2-CG2 3.73Å; T45-S47 PolarHBondContact O-N 3.49Å; T45-S47 PolarHBondContact OG1-N 2.81Å; T45-S47 VanDerWaalsContact OG1-N 3.16Å; T45-S47 PolarHBondContact OG1-OG 3.41Å; T45-G48 WeakPolarHBondContact O-CA 3.46Å; T45-G48 PolarHBondContact O-N 3.49Å; T45-G48 PolarHBondContact OG1-N 2.81Å; T45-E49 HydrophobicContact CG2-CB 3.93Å; T45-E49 PolarHBondContact N-O 2.76Å; T45-E49 PolarHBondContact OG1-N 2.9Å; T45-R64 PolarHBondContact O-NH1 3.01Å
46	H	90.9	Very high	93.2	Very high	63 Å²	63	63.4 Å²	63.4	29%	0.292	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.3	166.9	74.2	-82.3	0	0	0	114.2	S23 Y25 R64	S23-H46 WeakPolarHBondContact O-CB 3.38Å; Y25-H46 PolarHBondContact O-N 3.3Å; H46-R64 VanDerWaalsContact O-CZ 3.3Å; H46-R64 PolarHBondContact O-NH1 2.91Å; H46-R64 PolarHBondContact O-NH2 3.27Å
47	S	92.6	Very high	92.3	Very high	67 Å²	67	64.9 Å²	64.9	47%	0.469	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-16.2	170.8	56.8	0	0	0	0	112.8	T45 E49 R64	T45-S47 PolarHBondContact O-N 3.49Å; T45-S47 PolarHBondContact OG1-N 2.81Å; T45-S47 VanDerWaalsContact OG1-N 3.16Å; T45-S47 PolarHBondContact OG1-OG 3.41Å; S47-E49 PolarHBondContact OG-OE2 3.14Å; S47-R64 PolarHBondContact O-NH2 2.97Å; S47-R64 VanDerWaalsContact O-NH2 3.09Å
48	G	93.7	Very high	91.4	Very high	29 Å²	29	60.7 Å²	60.7	30%	0.299	32%	0.319	S	S	.	.			trans	99.1	7	178.1	0	0	0	0	0	114.1	T45	T45-G48 WeakPolarHBondContact O-CA 3.46Å; T45-G48 PolarHBondContact O-N 3.49Å; T45-G48 PolarHBondContact OG1-N 2.81Å
49	E	94.9	Very high	91	Very high	120 Å²	120	60.3 Å²	60.3	56%	0.561	32%	0.322	S	S	*	.			trans	-71.5	144	172.5	-64.1	172.8	148.3	0	0	109.8	I44 T45 S47 F51	I44-E49 CarbonylContact C-O 3.54Å; I44-E49 VanDerWaalsContact CA-O 3.28Å; I44-E49 WeakPolarHBondContact CA-O 3.14Å; T45-E49 HydrophobicContact CG2-CB 3.93Å; T45-E49 PolarHBondContact N-O 2.76Å; T45-E49 PolarHBondContact OG1-N 2.9Å; S47-E49 PolarHBondContact OG-OE2 3.14Å; E49-F51 HydrophobicContact CB-CE2 4.45Å
50	T	96.3	Very high	91	Very high	54 Å²	54	58.8 Å²	58.8	33%	0.331	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.7	-177	53.5	0	0	0	0	110.6	Y43 I44 I62	Y43-T50 WeakPolarHBondContact O-CA 3.04Å; I44-T50 HydrophobicContact CB-CG2 4.03Å; I44-T50 HydrophobicContact CD1-CG2 3.85Å; I44-T50 HydrophobicContact CG1-CG2 3.81Å; T50-I62 WeakPolarHBondContact CG2-O 3.4Å
51	F	94.9	Very high	91	Very high	102 Å²	102	56 Å²	56	45%	0.447	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137	173.7	-75.1	-91.9	0	0	0	109.2	G42 Y43 E49	G42-F51 CarbonylContact C-O 3.51Å; G42-F51 WeakPolarHBondContact CA-O 2.89Å; Y43-F51 HydrophobicContact CD1-CB 4.18Å; Y43-F51 HydrophobicContact CD2-CB 4.48Å; Y43-F51 HydrophobicContact CD2-CD2 4.48Å; Y43-F51 HydrophobicContact CE1-CB 3.67Å; Y43-F51 HydrophobicContact CE1-CD2 4.42Å; Y43-F51 HydrophobicContact CE1-CG 4.24Å; Y43-F51 HydrophobicContact CE2-CB 4.01Å; Y43-F51 AromaticContact CE2-CD2 3.51Å; Y43-F51 HydrophobicContact CE2-CD2 3.51Å; Y43-F51 HydrophobicContact CE2-CE2 4.38Å; Y43-F51 HydrophobicContact CE2-CG 4.12Å; Y43-F51 AromaticContact CZ-CD2 3.47Å; Y43-F51 VanDerWaalsContact CZ-CD2 3.47Å; Y43-F51 AromaticContact CZ-CG 3.7Å; Y43-F51 PolarHBondContact N-O 3.18Å; Y43-F51 PolarHBondContact O-N 3.15Å; Y43-F51 WeakPolarHBondContact OH-CD2 3.45Å; Y43-F51 WeakPolarHBondContact OH-CG 3.34Å; E49-F51 HydrophobicContact CB-CE2 4.45Å
52	Y	94.6	Very high	91.1	Very high	90 Å²	90	56.2 Å²	56.2	35%	0.353	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.8	-174.6	-59.5	-80.5	0	0	0	109.8	P54 I60 I62	Y52-P54 WeakPolarHBondContact O-CD 3.05Å; Y52-I60 HydrophobicContact CD1-CD1 3.88Å; Y52-I60 HydrophobicContact CD1-CG1 3.7Å; Y52-I60 HydrophobicContact CE1-CD1 4.36Å; Y52-I60 HydrophobicContact CE1-CG1 4.01Å; Y52-I62 HydrophobicContact CD1-CD1 4.39Å; Y52-I62 HydrophobicContact CE1-CB 4.33Å; Y52-I62 HydrophobicContact CE1-CD1 4.16Å; Y52-I62 HydrophobicContact CE1-CG1 4Å; Y52-I62 PolarHBondContact OH-N 3.34Å
53	N	93.2	Very high	91.1	Very high	28 Å²	28	59 Å²	59	15%	0.15	33%	0.329	C	S	.	.			trans	-71.7	118.6	171.8	-175.5	-15.7	0	0	0	109.9	W40 M41 S55 L56	W40-N53 HydrophobicContact CD2-CB 4.31Å; W40-N53 HydrophobicContact CE3-CB 3.45Å; W40-N53 VanDerWaalsContact CE3-CB 3.45Å; W40-N53 HydrophobicContact CH2-CB 4.23Å; W40-N53 HydrophobicContact CZ3-CB 3.42Å; W40-N53 VanDerWaalsContact CZ3-CB 3.42Å; W40-N53 WeakPolarHBondContact O-CB 3.41Å; W40-N53 PolarHBondContact O-ND2 2.88Å; M41-N53 WeakPolarHBondContact O-CB 3.34Å; M41-N53 PolarHBondContact O-N 3.03Å; N53-S55 PolarHBondContact O-N 3.4Å; N53-S55 WeakPolarHBondContact OD1-CB 3.13Å; N53-S55 PolarHBondContact OD1-N 3.24Å; N53-L56 HydrophobicContact CB-CD1 4.09Å; N53-L56 HydrophobicContact CB-CG 3.99Å; N53-L56 WeakPolarHBondContact O-CB 3.42Å; N53-L56 PolarHBondContact O-N 2.04Å; N53-L56 VanDerWaalsContact O-N 3.15Å
54	P	89.3	Confident	91.1	Very high	123 Å²	123	59.8 Å²	59.8	80%	0.799	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.3	-179	28.5	-36.2	0	0	0	113.4	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 3.05Å; P54-L56 VanDerWaalsContact C-N 3.32Å
55	S	86.9	Confident	91.1	Very high	89 Å²	89	62.3 Å²	62.3	62%	0.622	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.2	177.4	-57.3	0	0	0	0	113.7	N53 Q57	N53-S55 PolarHBondContact O-N 3.4Å; N53-S55 WeakPolarHBondContact OD1-CB 3.13Å; N53-S55 PolarHBondContact OD1-N 3.24Å; S55-Q57 PolarHBondContact O-N 2.79Å
56	L	85.1	Confident	91.1	Very high	26 Å²	26	65.9 Å²	65.9	14%	0.136	37%	0.365	C	S	.	.			trans	-69	126.6	174.6	-76.7	171.8	0	0	0	110.7	M41 N53 P54 I60	M41-L56 HydrophobicContact CB-CD1 3.95Å; M41-L56 HydrophobicContact CE-CD1 4.42Å; M41-L56 HydrophobicContact CE-CD2 4.27Å; M41-L56 HydrophobicContact CG-CD2 4.33Å; M41-L56 WeakPolarHBondContact O-CD1 3.07Å; N53-L56 HydrophobicContact CB-CD1 4.09Å; N53-L56 HydrophobicContact CB-CG 3.99Å; N53-L56 WeakPolarHBondContact O-CB 3.42Å; N53-L56 PolarHBondContact O-N 2.04Å; N53-L56 VanDerWaalsContact O-N 3.15Å; P54-L56 VanDerWaalsContact C-N 3.32Å; L56-I60 HydrophobicContact CD1-CD1 3.47Å; L56-I60 VanDerWaalsContact CD1-CD1 3.47Å; L56-I60 HydrophobicContact CD1-CG1 4.1Å
57	Q	73.1	Confident	91.2	Very high	165 Å²	165	67.8 Å²	67.8	77%	0.771	39%	0.385	S	S	*	.			trans	-81.1	-29.3	175.6	-60.6	-176.7	30	0	0	112.1	S55	S55-Q57 PolarHBondContact O-N 2.79Å
58	S	76.9	Confident	91.3	Very high	18 Å²	18	70.1 Å²	70.1	13%	0.126	39%	0.387	C	S	.	.	S	Bend	trans	-88.7	132.7	-178	-51	0	0	0	0	111.4	I60 D82	S58-I60 PolarHBondContact O-N 2.8Å; S58-D82 PolarHBondContact OG-OD1 3Å
59	P	85.4	Confident	91.4	Very high	83 Å²	83	70.3 Å²	70.3	54%	0.539	38%	0.381	S	S	.	.			trans	-69.5	119.8	175.4	26.8	-31.4	0	0	0	110.7	N76	P59-N76 HydrophobicContact CG-CB 4.23Å; P59-N76 PolarHBondContact O-N 2.95Å
60	I	92.9	Very high	91.5	Very high	24 Å²	24	66.6 Å²	66.6	12%	0.123	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	159.6	177.7	68.8	169	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 4.14Å; M41-I60 HydrophobicContact CE-CG2 3.9Å; Y52-I60 HydrophobicContact CD1-CD1 3.88Å; Y52-I60 HydrophobicContact CD1-CG1 3.7Å; Y52-I60 HydrophobicContact CE1-CD1 4.36Å; Y52-I60 HydrophobicContact CE1-CG1 4.01Å; L56-I60 HydrophobicContact CD1-CD1 3.47Å; L56-I60 VanDerWaalsContact CD1-CD1 3.47Å; L56-I60 HydrophobicContact CD1-CG1 4.1Å; S58-I60 PolarHBondContact O-N 2.8Å; I60-I62 HydrophobicContact CD1-CD1 4.42Å; I60-L73 HydrophobicContact CB-CD1 3.98Å; I60-L73 HydrophobicContact CD1-CD1 3.89Å; I60-L73 HydrophobicContact CG1-CD1 4.43Å; I60-L73 HydrophobicContact CG2-CD1 4.43Å; I60-Q74 CarbonylContact C-O 3.54Å; I60-Q74 VanDerWaalsContact CA-O 3.31Å; I60-Q74 WeakPolarHBondContact CA-O 3.15Å; I60-L75 HydrophobicContact CG2-CD2 3.57Å
61	S	94.9	Very high	91.5	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	-135.3	133.1	169.4	172.3	0	0	0	0	109.4	Q74	S61-Q74 PolarHBondContact N-O 2.74Å; S61-Q74 PolarHBondContact O-N 2.88Å
62	I	96.3	Very high	91.5	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.2	177.8	-59.8	170.6	0	0	0	108.1	G42 I44 T50 Y52 I60 F72 L73	G42-I62 VanDerWaalsContact C-CD1 3.46Å; I44-I62 HydrophobicContact CB-CG2 3.78Å; I44-I62 HydrophobicContact CG2-CG2 3.74Å; T50-I62 WeakPolarHBondContact CG2-O 3.4Å; Y52-I62 HydrophobicContact CD1-CD1 4.39Å; Y52-I62 HydrophobicContact CE1-CB 4.33Å; Y52-I62 HydrophobicContact CE1-CD1 4.16Å; Y52-I62 HydrophobicContact CE1-CG1 4Å; Y52-I62 PolarHBondContact OH-N 3.34Å; I60-I62 HydrophobicContact CD1-CD1 4.42Å; I62-F72 WeakPolarHBondContact CA-O 3.43Å; I62-L73 HydrophobicContact CD1-CD1 4.5Å; I62-L73 HydrophobicContact CG1-CD1 3.8Å
63	T	95.8	Very high	91.6	Very high	60 Å²	60	56.4 Å²	56.4	37%	0.368	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	167.2	-178.4	63.1	0	0	0	0	111.1	F71 F72	T63-F71 CarbonylContact O-C 3.6Å; T63-F71 VanDerWaalsContact O-CA 3.28Å; T63-F71 WeakPolarHBondContact O-CA 2.97Å; T63-F71 WeakPolarHBondContact O-CB 3.46Å; T63-F72 PolarHBondContact N-O 2.91Å; T63-F72 PolarHBondContact O-N 2.83Å
64	R	95.2	Very high	91.6	Very high	65 Å²	65	57.4 Å²	57.4	25%	0.245	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.7	177.8	68.6	-178.3	-173.3	162.7	2.2	112.5	I21 I44 T45 H46 S47 Q70 F71	I21-R64 HydrophobicContact CD1-CB 3.89Å; I44-R64 HydrophobicContact CD1-CB 4Å; I44-R64 HydrophobicContact CD1-CG 3.73Å; T45-R64 PolarHBondContact O-NH1 3.01Å; H46-R64 VanDerWaalsContact O-CZ 3.3Å; H46-R64 PolarHBondContact O-NH1 2.91Å; H46-R64 PolarHBondContact O-NH2 3.27Å; S47-R64 PolarHBondContact O-NH2 2.97Å; S47-R64 VanDerWaalsContact O-NH2 3.09Å; R64-Q70 CarbonylContact C-O 3.55Å; R64-Q70 WeakPolarHBondContact CA-O 3.46Å; R64-F71 HydrophobicContact CB-CB 4.12Å
65	E	95.1	Very high	91.8	Very high	60 Å²	60	51.6 Å²	51.6	28%	0.28	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	102.2	173.2	-175.6	171.2	-169.1	0	0	109	S67 K68 N69 Q70 F72	E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 WeakPolarHBondContact CG-OG 3.28Å; E65-S67 PolarHBondContact O-N 2.99Å; E65-S67 PolarHBondContact OE1-OG 2.83Å; E65-K68 HydrophobicContact CG-CB 4.16Å; E65-K68 HydrophobicContact CG-CD 4.42Å; E65-K68 HydrophobicContact CG-CG 4.05Å; E65-K68 PolarHBondContact O-N 2.88Å; E65-K68 WeakPolarHBondContact OE1-CE 3.33Å; E65-K68 IonicContact OE1-NZ 3.23Å; E65-K68 PolarHBondContact OE1-NZ 3.01Å; E65-K68 VanDerWaalsContact OE2-CD 3.26Å; E65-K68 WeakPolarHBondContact OE2-CD 3.2Å; E65-K68 WeakPolarHBondContact OE2-CE 3.3Å; E65-K68 IonicContact OE2-NZ 2.86Å; E65-K68 PolarHBondContact OE2-NZ 3.11Å; E65-N69 PolarHBondContact O-N 3.38Å; E65-N69 VanDerWaalsContact O-N 3.13Å; E65-Q70 PolarHBondContact N-O 2.84Å; E65-Q70 PolarHBondContact O-N 2.86Å; E65-Q70 VanDerWaalsContact O-N 3.12Å; E65-F72 HydrophobicContact CB-CE2 3.63Å; E65-F72 HydrophobicContact CB-CZ 4.15Å
66	T	94.4	Very high	91.9	Very high	81 Å²	81	49.4 Å²	49.4	50%	0.497	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-65.7	-35.3	-174.5	51.5	0	0	0	0	112.7	I21 T22 K68 N69	I21-T66 HydrophobicContact CG2-CG2 4.02Å; T22-T66 HydrophobicContact CG2-CG2 3.75Å; T66-K68 VanDerWaalsContact C-N 3.26Å; T66-K68 PolarHBondContact O-N 3.22Å; T66-N69 PolarHBondContact O-N 2.94Å
67	S	93.9	Very high	91.9	Very high	102 Å²	102	51.8 Å²	51.8	71%	0.713	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-62.7	-31.5	178.2	57	0	0	0	0	113.2	E65	E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 WeakPolarHBondContact CG-OG 3.28Å; E65-S67 PolarHBondContact O-N 2.99Å; E65-S67 PolarHBondContact OE1-OG 2.83Å
68	K	95.1	Very high	92.7	Very high	117 Å²	117	44 Å²	44	51%	0.509	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-99.5	-2.1	178.9	-62.8	-168.3	-167.8	131.9	0	113.6	E65 T66 Q70	E65-K68 HydrophobicContact CG-CB 4.16Å; E65-K68 HydrophobicContact CG-CD 4.42Å; E65-K68 HydrophobicContact CG-CG 4.05Å; E65-K68 PolarHBondContact O-N 2.88Å; E65-K68 WeakPolarHBondContact OE1-CE 3.33Å; E65-K68 IonicContact OE1-NZ 3.23Å; E65-K68 PolarHBondContact OE1-NZ 3.01Å; E65-K68 VanDerWaalsContact OE2-CD 3.26Å; E65-K68 WeakPolarHBondContact OE2-CD 3.2Å; E65-K68 WeakPolarHBondContact OE2-CE 3.3Å; E65-K68 IonicContact OE2-NZ 2.86Å; E65-K68 PolarHBondContact OE2-NZ 3.11Å; T66-K68 VanDerWaalsContact C-N 3.26Å; T66-K68 PolarHBondContact O-N 3.22Å; K68-Q70 VanDerWaalsContact C-N 3.27Å; K68-Q70 HydrophobicContact CB-CB 4.25Å; K68-Q70 HydrophobicContact CB-CG 4.19Å; K68-Q70 WeakPolarHBondContact O-CG 3.02Å; K68-Q70 PolarHBondContact O-N 3.29Å
69	N	95.3	Very high	93.3	Very high	33 Å²	33	45.8 Å²	45.8	18%	0.176	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	41.7	-174.4	-149	39.2	0	0	0	113	I16 F19 P20 I21 E65 T66	I16-N69 PolarHBondContact N-O 3Å; I16-N69 PolarHBondContact O-ND2 2.85Å; F19-N69 PolarHBondContact O-ND2 3.15Å; P20-N69 WeakPolarHBondContact CA-OD1 3.45Å; I21-N69 WeakPolarHBondContact CB-OD1 3.41Å; I21-N69 PolarHBondContact N-OD1 2.9Å; E65-N69 PolarHBondContact O-N 3.38Å; E65-N69 VanDerWaalsContact O-N 3.13Å; T66-N69 PolarHBondContact O-N 2.94Å
70	Q	96.3	Very high	93.4	Very high	42 Å²	42	46 Å²	46	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.1	-171.6	-79.2	171	-7.4	0	0	111.9	T13 C14 S15 I21 R64 E65 K68 F72	T13-Q70 HydrophobicContact CG2-CB 4.26Å; T13-Q70 HydrophobicContact CG2-CG 3.98Å; C14-Q70 VanDerWaalsContact O-CA 3.29Å; C14-Q70 WeakPolarHBondContact O-CA 3.19Å; S15-Q70 WeakPolarHBondContact OG-CG 3.36Å; S15-Q70 PolarHBondContact OG-NE2 2.8Å; I21-Q70 VanDerWaalsContact CD1-O 3.24Å; I21-Q70 WeakPolarHBondContact CD1-O 3.17Å; R64-Q70 CarbonylContact C-O 3.55Å; R64-Q70 WeakPolarHBondContact CA-O 3.46Å; E65-Q70 PolarHBondContact N-O 2.84Å; E65-Q70 PolarHBondContact O-N 2.86Å; E65-Q70 VanDerWaalsContact O-N 3.12Å; K68-Q70 VanDerWaalsContact C-N 3.27Å; K68-Q70 HydrophobicContact CB-CB 4.25Å; K68-Q70 HydrophobicContact CB-CG 4.19Å; K68-Q70 WeakPolarHBondContact O-CG 3.02Å; K68-Q70 PolarHBondContact O-N 3.29Å; Q70-F72 HydrophobicContact CB-CE1 4.25Å; Q70-F72 HydrophobicContact CB-CE2 4.05Å; Q70-F72 HydrophobicContact CB-CZ 3.64Å
71	F	96.1	Very high	93.2	Very high	1 Å²	1	51 Å²	51	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.3	164.1	69.2	-73.6	0	0	0	111.2	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 4.28Å; C14-F71 HydrophobicContact CB-CG 4.43Å; C14-F71 HydrophobicContact CB-CZ 3.75Å; C14-F71 PolarHBondContact N-O 3.48Å; C14-F71 PolarHBondContact O-N 2.77Å; C14-F71 WeakPolarHBondContact SG-CE1 3.2Å; I16-F71 HydrophobicContact CD1-CD1 3.95Å; I16-F71 HydrophobicContact CD1-CE1 4.13Å; I16-F71 HydrophobicContact CG1-CD1 4.39Å; I16-F71 HydrophobicContact CG1-CE1 4.24Å; I21-F71 HydrophobicContact CD1-CB 3.92Å; I21-F71 HydrophobicContact CD1-CD1 4.31Å; W27-F71 HydrophobicContact CB-CD1 4.03Å; W27-F71 HydrophobicContact CB-CD2 3.93Å; W27-F71 HydrophobicContact CB-CE1 3.89Å; W27-F71 HydrophobicContact CB-CE2 3.81Å; W27-F71 HydrophobicContact CB-CG 4.03Å; W27-F71 HydrophobicContact CB-CZ 3.74Å; W27-F71 HydrophobicContact CD2-CE1 4.33Å; W27-F71 HydrophobicContact CE3-CE1 4.05Å; W27-F71 HydrophobicContact CE3-CZ 4.46Å; W27-F71 HydrophobicContact CG-CD1 4.34Å; W27-F71 HydrophobicContact CG-CE1 4.3Å; W29-F71 AromaticContact CD1-CD2 3.91Å; W29-F71 AromaticContact CD1-CE2 3.74Å; W29-F71 HydrophobicContact CD2-CE2 4.33Å; W29-F71 AromaticContact CE2-CD2 3.93Å; W29-F71 AromaticContact CE2-CE2 3.72Å; W29-F71 HydrophobicContact CG-CE2 4.35Å; W29-F71 HydrophobicContact CZ2-CD2 4.36Å; W29-F71 HydrophobicContact CZ2-CE2 4.26Å; W29-F71 AromaticContact NE1-CD2 3.25Å; W29-F71 AromaticContact NE1-CE2 3.32Å; W29-F71 VanDerWaalsContact NE1-CE2 3.32Å; I44-F71 HydrophobicContact CG2-CB 4.27Å; I44-F71 HydrophobicContact CG2-CD2 4.38Å; T63-F71 CarbonylContact O-C 3.6Å; T63-F71 VanDerWaalsContact O-CA 3.28Å; T63-F71 WeakPolarHBondContact O-CA 2.97Å; T63-F71 WeakPolarHBondContact O-CB 3.46Å; R64-F71 HydrophobicContact CB-CB 4.12Å; F71-C88 HydrophobicContact CE1-CB 4.34Å; F71-C88 HydrophobicContact CE2-CB 4.15Å; F71-C88 HydrophobicContact CZ-CB 3.58Å
72	F	96.1	Very high	92.9	Very high	31 Å²	31	49.4 Å²	49.4	14%	0.136	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.6	-166.3	-48.8	-89.1	0	0	0	110.7	L12 T13 I62 T63 E65 Q70	L12-F72 CarbonylContact O-C 3.49Å; L12-F72 WeakPolarHBondContact O-CA 3.37Å; T13-F72 HydrophobicContact CG2-CD1 3.8Å; T13-F72 HydrophobicContact CG2-CE1 3.44Å; T13-F72 VanDerWaalsContact CG2-CE1 3.44Å; T13-F72 HydrophobicContact CG2-CZ 4.34Å; T13-F72 VanDerWaalsContact OG1-CD1 3.28Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.24Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.04Å; I62-F72 WeakPolarHBondContact CA-O 3.43Å; T63-F72 PolarHBondContact N-O 2.91Å; T63-F72 PolarHBondContact O-N 2.83Å; E65-F72 HydrophobicContact CB-CE2 3.63Å; E65-F72 HydrophobicContact CB-CZ 4.15Å; Q70-F72 HydrophobicContact CB-CE1 4.25Å; Q70-F72 HydrophobicContact CB-CE2 4.05Å; Q70-F72 HydrophobicContact CB-CZ 3.64Å
73	L	96.1	Very high	92.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.7	164.6	179.4	69.8	0	0	0	108	F11 L12 W29 M41 I60 I62 L75 Y86	F11-L73 CarbonylContact C-O 3.45Å; F11-L73 WeakPolarHBondContact CA-O 3.41Å; L12-L73 HydrophobicContact CB-CB 4.3Å; L12-L73 HydrophobicContact CD1-CD2 4.18Å; L12-L73 PolarHBondContact N-O 2.97Å; L12-L73 PolarHBondContact O-N 2.86Å; W29-L73 HydrophobicContact CB-CD1 4.47Å; W29-L73 HydrophobicContact CB-CD2 4.37Å; W29-L73 HydrophobicContact CD2-CB 3.67Å; W29-L73 HydrophobicContact CD2-CD2 4.11Å; W29-L73 HydrophobicContact CD2-CG 4.41Å; W29-L73 VanDerWaalsContact CE2-CB 3.47Å; W29-L73 HydrophobicContact CE3-CB 4.27Å; W29-L73 HydrophobicContact CE3-CD2 4.19Å; W29-L73 HydrophobicContact CG-CB 3.92Å; W29-L73 HydrophobicContact CG-CD1 4.26Å; W29-L73 HydrophobicContact CG-CD2 4.19Å; W29-L73 HydrophobicContact CG-CG 4.37Å; W29-L73 HydrophobicContact CH2-CB 4.48Å; W29-L73 HydrophobicContact CZ2-CB 3.91Å; M41-L73 HydrophobicContact CE-CD2 4Å; M41-L73 HydrophobicContact SD-CD2 3.95Å; I60-L73 HydrophobicContact CB-CD1 3.98Å; I60-L73 HydrophobicContact CD1-CD1 3.89Å; I60-L73 HydrophobicContact CG1-CD1 4.43Å; I60-L73 HydrophobicContact CG2-CD1 4.43Å; I62-L73 HydrophobicContact CD1-CD1 4.5Å; I62-L73 HydrophobicContact CG1-CD1 3.8Å; L73-L75 HydrophobicContact CD1-CD2 4.45Å; L73-L75 HydrophobicContact CD2-CD2 3.77Å; L73-L75 HydrophobicContact CD2-CG 4.26Å; L73-L75 HydrophobicContact CG-CD2 3.96Å; L73-L75 HydrophobicContact CG-CG 4.33Å; L73-Y86 HydrophobicContact CD2-CD1 3.82Å; L73-Y86 HydrophobicContact CD2-CE1 3.98Å
74	Q	94.4	Very high	92.6	Very high	48 Å²	48	48.1 Å²	48.1	22%	0.224	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.5	168.7	-179.5	178.3	-1.3	0	0	108.8	L10 F11 I60 S61 N76	L10-Q74 CarbonylContact O-C 3.41Å; L10-Q74 WeakPolarHBondContact O-CA 3.42Å; F11-Q74 HydrophobicContact CD1-CB 3.79Å; F11-Q74 HydrophobicContact CD1-CG 3.94Å; F11-Q74 HydrophobicContact CE1-CB 3.63Å; F11-Q74 HydrophobicContact CE1-CG 3.42Å; F11-Q74 VanDerWaalsContact CE1-CG 3.42Å; F11-Q74 HydrophobicContact CE2-CG 4.46Å; F11-Q74 HydrophobicContact CZ-CB 4.42Å; F11-Q74 VanDerWaalsContact CZ-CD 3.41Å; F11-Q74 HydrophobicContact CZ-CG 3.72Å; I60-Q74 CarbonylContact C-O 3.54Å; I60-Q74 VanDerWaalsContact CA-O 3.31Å; I60-Q74 WeakPolarHBondContact CA-O 3.15Å; S61-Q74 PolarHBondContact N-O 2.74Å; S61-Q74 PolarHBondContact O-N 2.88Å; Q74-N76 WeakPolarHBondContact CG-OD1 3.35Å; Q74-N76 PolarHBondContact NE2-OD1 2.85Å
75	L	91.9	Very high	92.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.6	169	-57.6	175.4	0	0	0	107.9	S9 L10 M41 I60 L73 V78 Y86 L107	S9-L75 VanDerWaalsContact CA-O 3.26Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; L10-L75 HydrophobicContact CD2-CD1 4.5Å; L10-L75 PolarHBondContact N-O 3.21Å; L10-L75 PolarHBondContact O-N 3.06Å; M41-L75 HydrophobicContact CE-CD2 4Å; I60-L75 HydrophobicContact CG2-CD2 3.57Å; L73-L75 HydrophobicContact CD1-CD2 4.45Å; L73-L75 HydrophobicContact CD2-CD2 3.77Å; L73-L75 HydrophobicContact CD2-CG 4.26Å; L73-L75 HydrophobicContact CG-CD2 3.96Å; L73-L75 HydrophobicContact CG-CG 4.33Å; L75-V78 HydrophobicContact CB-CG1 3.63Å; L75-V78 HydrophobicContact CD1-CG1 4.28Å; L75-Y86 HydrophobicContact CD1-CE1 3.87Å; L75-Y86 HydrophobicContact CD1-CE2 4.45Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.41Å; L75-Y86 HydrophobicContact CD2-CE1 4.21Å; L75-L107 HydrophobicContact CD1-CD2 3.68Å
76	N	88.8	Confident	92.6	Very high	43 Å²	43	45 Å²	45	23%	0.23	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-103.9	133.6	179.6	-65.6	-49.6	0	0	0	110.7	S9 P59 Q74	S9-N76 PolarHBondContact OG-OD1 2.65Å; P59-N76 HydrophobicContact CG-CB 4.23Å; P59-N76 PolarHBondContact O-N 2.95Å; Q74-N76 WeakPolarHBondContact CG-OD1 3.35Å; Q74-N76 PolarHBondContact NE2-OD1 2.85Å
77	S	86.9	Confident	92.7	Very high	75 Å²	75	43.2 Å²	43.2	52%	0.524	23%	0.234	S	C	.	.	S	Bend	trans	54	56.6	178.1	-56.8	0	0	0	0	112.8
78	V	89.2	Confident	92.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.205	C	C	.	.			trans	-56.6	141.7	-175.1	-63	0	0	0	0	112.5	V4 P6 S7 Q8 L10 L75 D82 V109	V4-V78 HydrophobicContact CG2-CG2 4.04Å; P6-V78 CarbonylContact C-O 3.42Å; P6-V78 WeakPolarHBondContact CA-O 3.39Å; S7-V78 PolarHBondContact N-O 2.78Å; Q8-V78 HydrophobicContact CB-CG2 4.44Å; Q8-V78 WeakPolarHBondContact O-CG2 3.14Å; Q8-V78 PolarHBondContact O-N 2.87Å; L10-V78 HydrophobicContact CB-CG1 4.37Å; L75-V78 HydrophobicContact CB-CG1 3.63Å; L75-V78 HydrophobicContact CD1-CG1 4.28Å; V78-D82 WeakPolarHBondContact CA-OD2 3.12Å; V78-V109 HydrophobicContact CB-CG2 4.29Å; V78-V109 HydrophobicContact CG2-CG1 4.15Å; V78-V109 HydrophobicContact CG2-CG2 4.29Å
79	T	89.6	Confident	92.8	Very high	56 Å²	56	33.7 Å²	33.7	34%	0.344	18%	0.182	S	C	.	.			trans	-118.7	170.3	178.7	66.1	0	0	0	0	110.5	E81 D82 V109	T79-E81 PolarHBondContact O-N 3.04Å; T79-E81 VanDerWaalsContact O-N 3.17Å; T79-E81 PolarHBondContact OG1-N 3.18Å; T79-D82 PolarHBondContact N-OD2 3.31Å; T79-D82 WeakPolarHBondContact O-CB 3.28Å; T79-D82 PolarHBondContact O-N 3.33Å; T79-D82 PolarHBondContact OG1-OD2 2.93Å; T79-V109 WeakPolarHBondContact O-CB 3.12Å; T79-V109 VanDerWaalsContact O-CG2 3.31Å; T79-V109 WeakPolarHBondContact O-CG2 3.4Å
80	T	87.9	Confident	92.6	Very high	88 Å²	88	32.2 Å²	32.2	54%	0.54	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-57.9	-27.1	174.3	49.9	0	0	0	0	112.6	D82 T83	T80-D82 VanDerWaalsContact C-N 3.26Å; T80-D82 PolarHBondContact O-N 2.89Å; T80-T83 VanDerWaalsContact O-CB 3.24Å; T80-T83 WeakPolarHBondContact O-CB 3.35Å; T80-T83 PolarHBondContact O-N 3.33Å; T80-T83 VanDerWaalsContact O-N 3.15Å; T80-T83 PolarHBondContact O-OG1 2.89Å
81	E	87	Confident	92.3	Very high	128 Å²	128	31.6 Å²	31.6	60%	0.598	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-69.1	-21.6	176.2	-57.6	-173.8	176.2	0	0	113.4	T79 T83	T79-E81 PolarHBondContact O-N 3.04Å; T79-E81 VanDerWaalsContact O-N 3.17Å; T79-E81 PolarHBondContact OG1-N 3.18Å; E81-T83 PolarHBondContact O-N 2.86Å
82	D	89	Confident	91.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-79.8	3.7	173.8	-59.5	-57.5	0	0	0	112.3	R31 S58 V78 T79 T80 A84 Y86 V109	R31-D82 IonicContact NH1-OD1 2.75Å; R31-D82 PolarHBondContact NH1-OD1 2.82Å; S58-D82 PolarHBondContact OG-OD1 3Å; V78-D82 WeakPolarHBondContact CA-OD2 3.12Å; T79-D82 PolarHBondContact N-OD2 3.31Å; T79-D82 WeakPolarHBondContact O-CB 3.28Å; T79-D82 PolarHBondContact O-N 3.33Å; T79-D82 PolarHBondContact OG1-OD2 2.93Å; T80-D82 VanDerWaalsContact C-N 3.26Å; T80-D82 PolarHBondContact O-N 2.89Å; D82-A84 PolarHBondContact O-N 2.93Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 WeakPolarHBondContact O-CE2 3.37Å; D82-Y86 PolarHBondContact O-OH 3.12Å; D82-V109 HydrophobicContact CB-CG2 4.46Å
83	T	92.1	Very high	90.9	Very high	34 Å²	34	42.9 Å²	42.9	21%	0.209	22%	0.215	C	C	.	.			trans	-67.9	107.5	169.7	-63.6	0	0	0	0	110	P34 T80 E81 L107 T108 V109	P34-T83 WeakPolarHBondContact CD-O 3.48Å; T80-T83 VanDerWaalsContact O-CB 3.24Å; T80-T83 WeakPolarHBondContact O-CB 3.35Å; T80-T83 PolarHBondContact O-N 3.33Å; T80-T83 VanDerWaalsContact O-N 3.15Å; T80-T83 PolarHBondContact O-OG1 2.89Å; E81-T83 PolarHBondContact O-N 2.86Å; T83-L107 WeakPolarHBondContact CA-O 3.26Å; T83-T108 HydrophobicContact CG2-CG2 4.33Å; T83-V109 PolarHBondContact OG1-N 3.09Å; T83-V109 PolarHBondContact OG1-O 2.77Å
84	A	94	Very high	89.8	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	167	-175.3	0	0	0	0	0	111.8	R31 Q32 D82 Y86 L107	R31-A84 HydrophobicContact CB-CB 4.18Å; Q32-A84 WeakPolarHBondContact O-CA 3.31Å; Q32-A84 WeakPolarHBondContact O-CB 3.32Å; D82-A84 PolarHBondContact O-N 2.93Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.28Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å; A84-L107 PolarHBondContact N-O 2.75Å; A84-L107 VanDerWaalsContact N-O 3.12Å; A84-L107 PolarHBondContact O-N 2.86Å
85	M	95.7	Very high	88.4	Confident	57 Å²	57	50.5 Å²	50.5	28%	0.281	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129	159.8	-166.1	72.5	73.1	0	0	109.1	R31 Q32 Y87 T106	R31-M85 CarbonylContact C-O 3.59Å; R31-M85 VanDerWaalsContact CA-O 3.27Å; R31-M85 WeakPolarHBondContact CA-O 3.26Å; Q32-M85 HydrophobicContact CB-CB 4.48Å; Q32-M85 PolarHBondContact N-O 3.12Å; Q32-M85 PolarHBondContact O-N 3.4Å; M85-Y87 HydrophobicContact CB-CE2 3.84Å; M85-Y87 HydrophobicContact CG-CD2 4.4Å; M85-Y87 HydrophobicContact CG-CE1 3.77Å; M85-Y87 HydrophobicContact CG-CE2 3.66Å; M85-Y87 WeakPolarHBondContact CG-OH 3.46Å; M85-T106 WeakPolarHBondContact CE-OG1 2.91Å; M85-T106 PolarHBondContact SD-N 3.31Å; M85-T106 PolarHBondContact SD-OG1 3.34Å
86	Y	95.8	Very high	87	Confident	2 Å²	2	58 Å²	58	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.5	179.1	-71.2	-100	0	0	0	110.2	L12 I30 R31 M41 L73 L75 D82 A84 G104 T105 L107	L12-Y86 HydrophobicContact CD1-CD1 3.64Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CE1 4.33Å; L12-Y86 HydrophobicContact CD1-CG 3.45Å; L12-Y86 VanDerWaalsContact CD1-CG 3.45Å; I30-Y86 CarbonylContact O-C 3.42Å; I30-Y86 WeakPolarHBondContact O-CA 3.07Å; R31-Y86 HydrophobicContact CB-CD1 3.9Å; R31-Y86 HydrophobicContact CB-CE1 3.87Å; R31-Y86 HydrophobicContact CB-CG 4.39Å; M41-Y86 HydrophobicContact CE-CE1 3.98Å; M41-Y86 HydrophobicContact SD-CD1 3.85Å; M41-Y86 HydrophobicContact SD-CE1 3.66Å; L73-Y86 HydrophobicContact CD2-CD1 3.82Å; L73-Y86 HydrophobicContact CD2-CE1 3.98Å; L75-Y86 HydrophobicContact CD1-CE1 3.87Å; L75-Y86 HydrophobicContact CD1-CE2 4.45Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.41Å; L75-Y86 HydrophobicContact CD2-CE1 4.21Å; D82-Y86 WeakPolarHBondContact O-CE2 3.37Å; D82-Y86 PolarHBondContact O-OH 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.28Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å; Y86-G104 CarbonylContact O-C 3.52Å; Y86-G104 WeakPolarHBondContact O-CA 3.47Å; Y86-T105 PolarHBondContact N-O 3.13Å; Y86-T105 PolarHBondContact O-N 3.22Å; Y86-L107 HydrophobicContact CD2-CB 3.9Å; Y86-L107 HydrophobicContact CD2-CD2 4.5Å; Y86-L107 HydrophobicContact CE2-CB 3.71Å; Y86-L107 HydrophobicContact CE2-CD2 3.75Å; Y86-L107 HydrophobicContact CE2-CG 4.33Å
87	Y	96.1	Very high	85.7	Confident	43 Å²	43	64.5 Å²	64.5	17%	0.169	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145	179.8	-52.7	-89.1	0	0	0	109.8	W29 I30 Q32 L38 M85 W101	W29-Y87 VanDerWaalsContact CE3-O 3.29Å; I30-Y87 PolarHBondContact N-O 3.14Å; I30-Y87 PolarHBondContact O-N 3Å; Q32-Y87 HydrophobicContact CB-CE2 3.86Å; Q32-Y87 PolarHBondContact OE1-OH 2.68Å; Q32-Y87 VanDerWaalsContact OE1-OH 3.06Å; L38-Y87 HydrophobicContact CD2-CD2 3.94Å; L38-Y87 HydrophobicContact CD2-CE2 3.81Å; M85-Y87 HydrophobicContact CB-CE2 3.84Å; M85-Y87 HydrophobicContact CG-CD2 4.4Å; M85-Y87 HydrophobicContact CG-CE1 3.77Å; M85-Y87 HydrophobicContact CG-CE2 3.66Å; M85-Y87 WeakPolarHBondContact CG-OH 3.46Å; Y87-W101 HydrophobicContact CG-CE3 4.5Å; Y87-W101 HydrophobicContact CG-CZ3 4.32Å
88	C	95.4	Very high	84.8	Confident	16 Å²	16	65.3 Å²	65.3	11%	0.108	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	145.5	164.2	60.1	0	0	0	0	109.8	C14 I28 W29 F71 G102	C14-C88 HydrophobicContact CB-CB 3.4Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 2.88Å; I28-C88 CarbonylContact O-C 3.58Å; I28-C88 VanDerWaalsContact O-CA 3.28Å; I28-C88 WeakPolarHBondContact O-CA 3.29Å; W29-C88 HydrophobicContact CE3-CB 4.25Å; W29-C88 HydrophobicContact CH2-CB 4.21Å; W29-C88 HydrophobicContact CZ2-CB 4.48Å; W29-C88 HydrophobicContact CZ3-CB 4.09Å; F71-C88 HydrophobicContact CE1-CB 4.34Å; F71-C88 HydrophobicContact CE2-CB 4.15Å; F71-C88 HydrophobicContact CZ-CB 3.58Å; C88-G102 PolarHBondContact O-N 3.03Å
89	A	94.6	Very high	84.2	Confident	4 Å²	4	68.6 Å²	68.6	3%	0.033	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	160.7	177.7	0	0	0	0	0	111.4	I28 I30 F98 Y100 W101	I28-A89 HydrophobicContact CB-CB 4.38Å; I28-A89 PolarHBondContact N-O 3.13Å; I28-A89 PolarHBondContact O-N 2.77Å; I30-A89 HydrophobicContact CD1-CB 4.23Å; A89-F98 HydrophobicContact CB-CD1 3.74Å; A89-F98 HydrophobicContact CB-CE1 4.18Å; A89-Y100 CarbonylContact C-O 3.54Å; A89-Y100 WeakPolarHBondContact CA-O 3.15Å; A89-Y100 WeakPolarHBondContact CB-O 3.5Å; A89-W101 HydrophobicContact CB-CD2 4.16Å; A89-W101 HydrophobicContact CB-CG 4.41Å
90	G	92.5	Very high	84	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.7	174.9	0	0	0	0	0	110.6	Y26 F98 D99 Y100	Y26-G90 WeakPolarHBondContact O-CA 3.28Å; G90-F98 CarbonylContact O-C 3.59Å; G90-D99 PolarHBondContact O-N 3.49Å; G90-Y100 PolarHBondContact N-O 2.99Å; G90-Y100 PolarHBondContact O-N 2.72Å
91	D	90.1	Very high	84.1	Confident	30 Å²	30	72.4 Å²	72.4	16%	0.16	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.2	178.6	176.2	18.6	0	0	0	109.9	Y25 Y26 I28 F98	Y25-D91 CarbonylContact C-O 3.48Å; Y25-D91 WeakPolarHBondContact CA-O 3.12Å; Y26-D91 HydrophobicContact CD2-CB 4.44Å; Y26-D91 PolarHBondContact N-O 2.81Å; Y26-D91 PolarHBondContact O-N 2.79Å; I28-D91 HydrophobicContact CD1-CB 3.61Å; D91-F98 HydrophobicContact CB-CD1 4.25Å
92	R	86.2	Confident	84.3	Confident	119 Å²	119	67.6 Å²	67.6	45%	0.449	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.1	-172.9	-173.1	174	-177.9	174.4	0.2	111.1	Y25 G94 Y95 D99	Y25-R92 HydrophobicContact CD1-CB 3.78Å; Y25-R92 HydrophobicContact CD1-CG 4.38Å; Y25-R92 HydrophobicContact CE1-CB 3.54Å; Y25-R92 HydrophobicContact CE1-CG 4.01Å; R92-G94 PolarHBondContact O-N 2.67Å; R92-G94 VanDerWaalsContact O-N 3.11Å; R92-Y95 HydrophobicContact CB-CD2 4.1Å; R92-Y95 HydrophobicContact CG-CD2 3.87Å; R92-Y95 HydrophobicContact CG-CE2 4.35Å; R92-Y95 PolarHBondContact O-N 3.18Å; R92-D99 WeakPolarHBondContact CB-OD2 3.42Å
93	Y	76.2	Confident	84.4	Confident	149 Å²	149	76.7 Å²	76.7	58%	0.584	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	119.9	178.8	-162.3	-84	0	0	0	111.2	G24 Y26	G24-Y93 WeakPolarHBondContact O-CB 3.24Å; G24-Y93 PolarHBondContact O-N 3.05Å; Y26-Y93 HydrophobicContact CE1-CD2 4.14Å; Y26-Y93 HydrophobicContact CE1-CE2 4.41Å; Y26-Y93 AromaticContact CE2-CD2 3.87Å; Y26-Y93 HydrophobicContact CE2-CD2 3.87Å; Y26-Y93 AromaticContact CZ-CD2 3.43Å; Y26-Y93 VanDerWaalsContact CZ-CD2 3.43Å; Y26-Y93 AromaticContact CZ-CE2 3.74Å; Y26-Y93 WeakPolarHBondContact OH-CD2 3.33Å; Y26-Y93 WeakPolarHBondContact OH-CE2 3.28Å
94	G	72.6	Confident	84.4	Confident	71 Å²	71	76.2 Å²	76.2	73%	0.732	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	8.7	179.6	0	0	0	0	0	115.7	R92	R92-G94 PolarHBondContact O-N 2.67Å; R92-G94 VanDerWaalsContact O-N 3.11Å
95	Y	65.7	Low	84.3	Confident	138 Å²	138	78.1 Å²	78.1	54%	0.541	38%	0.379	S	S	.	.			trans	-124.1	146.3	171.5	-65.4	-88.8	0	0	0	109.8	R92 Y97	R92-Y95 HydrophobicContact CB-CD2 4.1Å; R92-Y95 HydrophobicContact CG-CD2 3.87Å; R92-Y95 HydrophobicContact CG-CE2 4.35Å; R92-Y95 PolarHBondContact O-N 3.18Å; Y95-Y97 PolarHBondContact O-N 2.95Å
96	D	61.2	Low	84.2	Confident	159 Å²	159	78.7 Å²	78.7	85%	0.85	39%	0.386	S	S	*	.	S	Bend	trans	-93.9	22.3	-174.6	-70.1	-37	0	0	0	113.7
97	Y	62	Low	83.9	Confident	179 Å²	179	78.6 Å²	78.6	70%	0.702	39%	0.386	S	S	*	.	S	Bend	trans	-133	137	-174.7	-65.8	-89.4	0	0	0	112	Y95 D99	Y95-Y97 PolarHBondContact O-N 2.95Å; Y97-D99 PolarHBondContact O-N 3.23Å
98	F	68.4	Low	83.5	Confident	93 Å²	93	79.4 Å²	79.4	41%	0.408	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	102.1	168.3	-65	-83.9	0	0	0	109.9	I28 I30 A89 G90 D91 Y100 W101	I28-F98 HydrophobicContact CB-CE1 4.39Å; I28-F98 HydrophobicContact CD1-CD1 3.89Å; I28-F98 HydrophobicContact CD1-CE1 3.33Å; I28-F98 HydrophobicContact CD1-CZ 4.31Å; I28-F98 HydrophobicContact CG1-CE1 4.4Å; I28-F98 HydrophobicContact CG2-CE1 4.23Å; I30-F98 HydrophobicContact CD1-CE1 4.22Å; I30-F98 HydrophobicContact CD1-CZ 4.33Å; A89-F98 HydrophobicContact CB-CD1 3.74Å; A89-F98 HydrophobicContact CB-CE1 4.18Å; G90-F98 CarbonylContact O-C 3.59Å; D91-F98 HydrophobicContact CB-CD1 4.25Å; F98-Y100 VanDerWaalsContact C-N 3.27Å; F98-Y100 PolarHBondContact O-N 3.16Å; F98-W101 HydrophobicContact CD2-CZ2 4.08Å; F98-W101 HydrophobicContact CE2-CZ2 4.41Å; F98-W101 HydrophobicContact CG-CZ2 4.16Å; F98-W101 AromaticContact CG-NE1 3.74Å
99	D	76.4	Confident	83	Confident	69 Å²	69	78.9 Å²	78.9	37%	0.369	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-28.5	-179.8	-69.5	-34	0	0	0	112.5	Y25 G90 R92 Y97	Y25-D99 HydrophobicContact CE1-CB 4.39Å; G90-D99 PolarHBondContact O-N 3.49Å; R92-D99 WeakPolarHBondContact CB-OD2 3.42Å; Y97-D99 PolarHBondContact O-N 3.23Å
100	Y	84.4	Confident	82.2	Confident	111 Å²	111	83.6 Å²	83.6	44%	0.435	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.1	-173.8	-55.2	-77.7	0	0	0	112.7	F19 Y25 A89 G90 F98	F19-Y100 HydrophobicContact CE1-CD2 4.34Å; F19-Y100 HydrophobicContact CE1-CE1 4.35Å; F19-Y100 AromaticContact CE1-CE2 3.72Å; F19-Y100 HydrophobicContact CE1-CE2 3.72Å; F19-Y100 AromaticContact CE1-CZ 3.73Å; F19-Y100 AromaticContact CZ-CD2 3.98Å; F19-Y100 HydrophobicContact CZ-CD2 3.98Å; F19-Y100 AromaticContact CZ-CE2 3.6Å; F19-Y100 HydrophobicContact CZ-CE2 3.6Å; Y25-Y100 HydrophobicContact CE1-CD2 4.09Å; Y25-Y100 AromaticContact CE1-CE2 3.68Å; Y25-Y100 HydrophobicContact CE1-CE2 3.68Å; Y25-Y100 AromaticContact CZ-CE2 3.92Å; A89-Y100 CarbonylContact C-O 3.54Å; A89-Y100 WeakPolarHBondContact CA-O 3.15Å; A89-Y100 WeakPolarHBondContact CB-O 3.5Å; G90-Y100 PolarHBondContact N-O 2.99Å; G90-Y100 PolarHBondContact O-N 2.72Å; F98-Y100 VanDerWaalsContact C-N 3.27Å; F98-Y100 PolarHBondContact O-N 3.16Å
101	W	91.6	Very high	81.7	Confident	113 Å²	113	87.8 Å²	87.8	43%	0.428	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.9	172.5	-77	73.3	0	0	0	110.7	I30 L38 Y87 A89 F98	I30-W101 HydrophobicContact CD1-CH2 3.3Å; I30-W101 HydrophobicContact CD1-CZ2 3.88Å; I30-W101 HydrophobicContact CD1-CZ3 3.77Å; L38-W101 HydrophobicContact CD1-CH2 4.03Å; L38-W101 HydrophobicContact CD1-CZ3 4.45Å; Y87-W101 HydrophobicContact CG-CE3 4.5Å; Y87-W101 HydrophobicContact CG-CZ3 4.32Å; A89-W101 HydrophobicContact CB-CD2 4.16Å; A89-W101 HydrophobicContact CB-CG 4.41Å; F98-W101 HydrophobicContact CD2-CZ2 4.08Å; F98-W101 HydrophobicContact CE2-CZ2 4.41Å; F98-W101 HydrophobicContact CG-CZ2 4.16Å; F98-W101 AromaticContact CG-NE1 3.74Å
102	G	91.1	Very high	81.3	Confident	27 Å²	27	90.8 Å²	90.8	28%	0.278	46%	0.46	S	S	.	.			trans	-75.6	157.6	166.6	0	0	0	0	0	111.6	C88 G104	C88-G102 PolarHBondContact O-N 3.03Å; G102-G104 PolarHBondContact O-N 2.68Å
103	Q	90.5	Very high	81	Confident	192 Å²	192	89.2 Å²	89.2	90%	0.897	46%	0.46	S	S	*	.			trans	-62.9	-11.6	179.7	-67.9	-67	-35.2	0	0	114.3
104	G	91.7	Very high	81.3	Confident	25 Å²	25	85.7 Å²	85.7	26%	0.258	45%	0.453	S	S	.	.			trans	82.5	162.1	-175.7	0	0	0	0	0	112.9	Y86 G102	Y86-G104 CarbonylContact O-C 3.52Å; Y86-G104 WeakPolarHBondContact O-CA 3.47Å; G102-G104 PolarHBondContact O-N 2.68Å
105	T	93.1	Very high	81.9	Confident	42 Å²	42	86.6 Å²	86.6	26%	0.258	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	128.3	179.5	-134.7	0	0	0	0	110.4	P1 L12 Y86	P1-T105 HydrophobicContact CB-CG2 4.42Å; P1-T105 WeakPolarHBondContact CD-OG1 3.33Å; P1-T105 HydrophobicContact CG-CG2 3.33Å; P1-T105 WeakPolarHBondContact CG-OG1 3.41Å; L12-T105 HydrophobicContact CD1-CG2 4.34Å; L12-T105 HydrophobicContact CD2-CG2 3.92Å; Y86-T105 PolarHBondContact N-O 3.13Å; Y86-T105 PolarHBondContact O-N 3.22Å
106	T	92.4	Very high	82.9	Confident	70 Å²	70	83.2 Å²	83.2	43%	0.429	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.4	-178	-44.9	0	0	0	0	110	M85	M85-T106 WeakPolarHBondContact CE-OG1 2.91Å; M85-T106 PolarHBondContact SD-N 3.31Å; M85-T106 PolarHBondContact SD-OG1 3.34Å
107	L	89.8	Confident	84.5	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.9	169	178.3	60.3	0	0	0	109.2	V4 L10 L75 T83 A84 Y86 V109	V4-L107 HydrophobicContact CG1-CD1 4.13Å; V4-L107 HydrophobicContact CG2-CD1 3.74Å; L10-L107 HydrophobicContact CD2-CD1 3.37Å; L10-L107 HydrophobicContact CD2-CD2 3.46Å; L10-L107 VanDerWaalsContact CD2-CD2 3.46Å; L10-L107 HydrophobicContact CD2-CG 3.99Å; L75-L107 HydrophobicContact CD1-CD2 3.68Å; T83-L107 WeakPolarHBondContact CA-O 3.26Å; A84-L107 PolarHBondContact N-O 2.75Å; A84-L107 VanDerWaalsContact N-O 3.12Å; A84-L107 PolarHBondContact O-N 2.86Å; Y86-L107 HydrophobicContact CD2-CB 3.9Å; Y86-L107 HydrophobicContact CD2-CD2 4.5Å; Y86-L107 HydrophobicContact CE2-CB 3.71Å; Y86-L107 HydrophobicContact CE2-CD2 3.75Å; Y86-L107 HydrophobicContact CE2-CG 4.33Å; L107-V109 HydrophobicContact CD2-CG2 4.48Å; L107-V109 HydrophobicContact CG-CG2 4.28Å
108	T	87.9	Confident	86.2	Confident	59 Å²	59	70 Å²	70	36%	0.362	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.5	175	-52.7	0	0	0	0	109.3	L3 V4 T83	L3-T108 WeakPolarHBondContact CA-O 3.42Å; L3-T108 HydrophobicContact CD1-CG2 3.81Å; V4-T108 PolarHBondContact N-O 3.44Å; T83-T108 HydrophobicContact CG2-CG2 4.33Å
109	V	84.1	Confident	87.7	Confident	6 Å²	6	68.1 Å²	68.1	4%	0.036	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.1	176.8	-169.6	0	0	0	0	108.4	V4 P6 V78 T79 D82 T83 L107	V4-V109 HydrophobicContact CG2-CB 4.18Å; V4-V109 HydrophobicContact CG2-CG1 4.22Å; V4-V109 HydrophobicContact CG2-CG2 3.63Å; V4-V109 WeakPolarHBondContact O-CA 3.36Å; P6-V109 HydrophobicContact CG-CG1 4.13Å; V78-V109 HydrophobicContact CB-CG2 4.29Å; V78-V109 HydrophobicContact CG2-CG1 4.15Å; V78-V109 HydrophobicContact CG2-CG2 4.29Å; T79-V109 WeakPolarHBondContact O-CB 3.12Å; T79-V109 VanDerWaalsContact O-CG2 3.31Å; T79-V109 WeakPolarHBondContact O-CG2 3.4Å; D82-V109 HydrophobicContact CB-CG2 4.46Å; T83-V109 PolarHBondContact OG1-N 3.09Å; T83-V109 PolarHBondContact OG1-O 2.77Å; L107-V109 HydrophobicContact CD2-CG2 4.48Å; L107-V109 HydrophobicContact CG-CG2 4.28Å
110	S	79.4	Confident	88.7	Confident	103 Å²	103	68 Å²	68	72%	0.72	37%	0.373	S	S	*	.			trans	-145.5	0	-177.7	71.8	0	0	0	0	113.1	L3 V4	L3-S110 WeakPolarHBondContact CD1-OG 3.34Å; V4-S110 PolarHBondContact O-N 3.5Å

Retrieved 110 of 110 residues in 135.6 ms (Link to these results)

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