X5J4N2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4N2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4N2_MOUSE|X5J4N2
PGLVKPSQSLFLTCSITGFPITSGYYWIWIRQSPGKPLEWMGYITHSGETFYNPSLQSPVSITRETSKNQFFLQLNSVTTEDTAMYYCAGDYYGYWYFDVWGTGTTVTVSS
					

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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	56.3	Low	84.5	Confident	123 Å²	123	79.7 Å²	79.7	80%	0.799	46%	0.46	S	S	*	.				0	125.3	0	10.4	11.9	0	0	0	110.3	T105	P1-T105 HydrophobicContact CB-CG2 3.42Å; P1-T105 VanDerWaalsContact CB-CG2 3.42Å; P1-T105 HydrophobicContact CG-CG2 3.99Å; P1-T105 WeakPolarHBondContact CG-OG1 3.47Å
2	G	72.8	Confident	85.4	Confident	38 Å²	38	74 Å²	74	39%	0.392	43%	0.427	S	S	.	.			trans	-172.8	-168.6	-163.5	0	0	0	0	0	112.6	V4	G2-V4 PolarHBondContact O-N 3.21Å
3	L	82.1	Confident	86.2	Confident	127 Å²	127	73.6 Å²	73.6	67%	0.665	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	121.9	-177.1	-163.3	67.3	0	0	0	111.2	T108 S110	L3-T108 WeakPolarHBondContact CA-O 3.32Å; L3-T108 HydrophobicContact CD1-CG2 3.84Å; L3-S110 VanDerWaalsContact CD1-OG 3.24Å; L3-S110 WeakPolarHBondContact CD1-OG 3.4Å
4	V	87.4	Confident	86.9	Confident	19 Å²	19	69.4 Å²	69.4	12%	0.115	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.1	176.5	-175.7	0	0	0	0	108.7	G2 Q8 L10 V78 V107 T108 V109 S110	G2-V4 PolarHBondContact O-N 3.21Å; V4-Q8 HydrophobicContact CG1-CB 3.74Å; V4-L10 HydrophobicContact CG2-CD1 4.05Å; V4-V78 HydrophobicContact CG1-CG2 3.85Å; V4-V107 HydrophobicContact CG2-CG1 4.5Å; V4-T108 PolarHBondContact N-O 2.7Å; V4-V109 VanDerWaalsContact O-CA 3.27Å; V4-V109 WeakPolarHBondContact O-CA 3.29Å; V4-S110 PolarHBondContact O-N 2.85Å; V4-S110 VanDerWaalsContact O-N 3.14Å
5	K	88.3	Confident	87.5	Confident	125 Å²	125	69.3 Å²	69.3	54%	0.543	41%	0.408	S	S	.	.			trans	-84.8	151.6	174.9	-67.2	-173.2	177.3	-172.2	0	110.6	Q8	K5-Q8 HydrophobicContact CB-CG 4.24Å; K5-Q8 WeakPolarHBondContact O-CB 3.34Å; K5-Q8 WeakPolarHBondContact O-CG 3.36Å; K5-Q8 PolarHBondContact O-N 3.31Å
6	P	88.9	Confident	87.8	Confident	50 Å²	50	66 Å²	66	33%	0.325	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	150.5	172.2	-25.8	33.8	0	0	0	112.4	Q8 V78 V109 S110	P6-Q8 PolarHBondContact O-N 3Å; P6-V78 CarbonylContact C-O 3.6Å; P6-V78 WeakPolarHBondContact CA-O 3.48Å; P6-V109 HydrophobicContact CG-CG1 4.17Å; P6-S110 WeakPolarHBondContact CD-O 3.09Å
7	S	88.3	Confident	87.9	Confident	100 Å²	100	69.2 Å²	69.2	70%	0.699	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	1.6	-178.4	-49.6	0	0	0	0	115.7	V78	S7-V78 PolarHBondContact N-O 2.81Å
8	Q	90.2	Very high	87.8	Confident	98 Å²	98	70.2 Å²	70.2	46%	0.458	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-82.3	165.8	170.9	-64.6	-173.2	-36.2	0	0	111.4	V4 K5 P6 S77 V78	V4-Q8 HydrophobicContact CG1-CB 3.74Å; K5-Q8 HydrophobicContact CB-CG 4.24Å; K5-Q8 WeakPolarHBondContact O-CB 3.34Å; K5-Q8 WeakPolarHBondContact O-CG 3.36Å; K5-Q8 PolarHBondContact O-N 3.31Å; P6-Q8 PolarHBondContact O-N 3Å; Q8-S77 PolarHBondContact O-N 2.86Å; Q8-V78 WeakPolarHBondContact O-CG2 3.3Å; Q8-V78 PolarHBondContact O-N 2.86Å
9	S	91	Very high	87.9	Confident	74 Å²	74	69.4 Å²	69.4	52%	0.517	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-91.3	135.7	169.4	-64.8	0	0	0	0	110.2	L75 N76	S9-L75 CarbonylContact C-O 3.53Å; S9-L75 VanDerWaalsContact CA-O 3.24Å; S9-L75 WeakPolarHBondContact CA-O 3.26Å; S9-N76 PolarHBondContact OG-OD1 2.77Å
10	L	91.1	Very high	88.1	Confident	12 Å²	12	69.5 Å²	69.5	6%	0.063	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.1	170.3	175	73.6	0	0	0	108.9	V4 L12 Q74 L75 V78 Y86 V107	V4-L10 HydrophobicContact CG2-CD1 4.05Å; L10-L12 HydrophobicContact CD1-CD2 4Å; L10-L12 HydrophobicContact CD1-CG 4.43Å; L10-L12 HydrophobicContact CD2-CD1 4.14Å; L10-L12 HydrophobicContact CD2-CD2 4.37Å; L10-L12 HydrophobicContact CD2-CG 4.07Å; L10-L12 HydrophobicContact CG-CD2 4.22Å; L10-L12 HydrophobicContact CG-CG 4.1Å; L10-Q74 WeakPolarHBondContact O-CA 3.35Å; L10-L75 HydrophobicContact CB-CB 4.27Å; L10-L75 HydrophobicContact CD2-CD1 3.82Å; L10-L75 HydrophobicContact CD2-CG 4.39Å; L10-L75 PolarHBondContact N-O 3.38Å; L10-L75 PolarHBondContact O-N 2.89Å; L10-V78 HydrophobicContact CB-CG1 3.81Å; L10-Y86 HydrophobicContact CD2-CE2 4.49Å; L10-V107 HydrophobicContact CD1-CG1 3.89Å; L10-V107 HydrophobicContact CD1-CG2 4.13Å; L10-V107 HydrophobicContact CD2-CB 4.43Å; L10-V107 HydrophobicContact CD2-CG1 3.89Å; L10-V107 HydrophobicContact CD2-CG2 4.09Å
11	F	93.6	Very high	88.2	Confident	111 Å²	111	66.1 Å²	66.1	49%	0.487	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.9	173.8	-170.1	-95.7	0	0	0	109.8	F72 L73 Q74	F11-F72 HydrophobicContact CE1-CB 4.2Å; F11-F72 AromaticContact CE1-CD1 3.35Å; F11-F72 HydrophobicContact CE1-CD1 3.35Å; F11-F72 AromaticContact CE1-CE1 3.96Å; F11-F72 HydrophobicContact CE1-CE1 3.96Å; F11-F72 HydrophobicContact CE1-CG 4Å; F11-F72 HydrophobicContact CE2-CB 3.72Å; F11-F72 HydrophobicContact CE2-CD1 4.29Å; F11-F72 HydrophobicContact CE2-CG 4.11Å; F11-F72 HydrophobicContact CZ-CB 3.48Å; F11-F72 VanDerWaalsContact CZ-CB 3.48Å; F11-F72 AromaticContact CZ-CD1 3.21Å; F11-F72 HydrophobicContact CZ-CD1 3.21Å; F11-F72 HydrophobicContact CZ-CD2 4.25Å; F11-F72 AromaticContact CZ-CE1 3.95Å; F11-F72 HydrophobicContact CZ-CE1 3.95Å; F11-F72 AromaticContact CZ-CG 3.38Å; F11-F72 HydrophobicContact CZ-CG 3.38Å; F11-L73 CarbonylContact C-O 3.54Å; F11-L73 WeakPolarHBondContact CA-O 3.16Å; F11-Q74 HydrophobicContact CD2-CB 4.19Å
12	L	95.3	Very high	90	Very high	11 Å²	11	63.3 Å²	63.3	6%	0.058	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144	176.9	-58.4	-179.3	0	0	0	110.2	L10 W29 F72 L73 Y86 T105 V107	L10-L12 HydrophobicContact CD1-CD2 4Å; L10-L12 HydrophobicContact CD1-CG 4.43Å; L10-L12 HydrophobicContact CD2-CD1 4.14Å; L10-L12 HydrophobicContact CD2-CD2 4.37Å; L10-L12 HydrophobicContact CD2-CG 4.07Å; L10-L12 HydrophobicContact CG-CD2 4.22Å; L10-L12 HydrophobicContact CG-CG 4.1Å; L12-W29 HydrophobicContact CB-CH2 3.66Å; L12-W29 HydrophobicContact CB-CZ2 4.22Å; L12-W29 HydrophobicContact CB-CZ3 4.13Å; L12-W29 HydrophobicContact CD1-CH2 4.5Å; L12-W29 HydrophobicContact CD1-CZ3 4.12Å; L12-F72 CarbonylContact O-C 3.47Å; L12-F72 WeakPolarHBondContact O-CA 3.03Å; L12-L73 HydrophobicContact CB-CB 4.25Å; L12-L73 HydrophobicContact CD1-CD2 4.19Å; L12-L73 PolarHBondContact N-O 2.92Å; L12-L73 PolarHBondContact O-N 3.08Å; L12-Y86 VanDerWaalsContact CD1-CB 3.45Å; L12-Y86 HydrophobicContact CD1-CD1 3.76Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.49Å; L12-Y86 VanDerWaalsContact CD1-CG 3.49Å; L12-T105 HydrophobicContact CD1-CG2 4.46Å; L12-T105 HydrophobicContact CD2-CG2 3.81Å; L12-V107 HydrophobicContact CD1-CG2 4.48Å; L12-V107 HydrophobicContact CD2-CG2 4.07Å
13	T	96.1	Very high	90.6	Very high	69 Å²	69	63.3 Å²	63.3	42%	0.423	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.9	179.3	-55.3	0	0	0	0	109.7	Q70 F72	T13-Q70 HydrophobicContact CG2-CB 4.26Å; T13-Q70 HydrophobicContact CG2-CG 3.99Å; T13-F72 HydrophobicContact CG2-CD1 3.73Å; T13-F72 HydrophobicContact CG2-CE1 3.45Å; T13-F72 VanDerWaalsContact CG2-CE1 3.45Å; T13-F72 HydrophobicContact CG2-CZ 4.47Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.24Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.24Å
14	C	95.5	Very high	90.9	Very high	15 Å²	15	58.2 Å²	58.2	10%	0.101	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.5	165.7	-174	0	0	0	0	109.5	W29 Q70 F71 C88	C14-W29 HydrophobicContact CB-CH2 4.04Å; C14-W29 HydrophobicContact CB-CZ2 3.91Å; C14-Q70 VanDerWaalsContact O-CA 3.29Å; C14-Q70 WeakPolarHBondContact O-CA 3.4Å; C14-F71 HydrophobicContact CB-CD1 3.87Å; C14-F71 HydrophobicContact CB-CE1 3.49Å; C14-F71 VanDerWaalsContact CB-CE1 3.49Å; C14-F71 HydrophobicContact CB-CE2 4.37Å; C14-F71 HydrophobicContact CB-CG 4.48Å; C14-F71 HydrophobicContact CB-CZ 3.79Å; C14-F71 PolarHBondContact N-O 3.47Å; C14-F71 PolarHBondContact O-N 2.8Å; C14-F71 WeakPolarHBondContact SG-CE1 3.49Å; C14-C88 HydrophobicContact CB-CB 3.4Å; C14-C88 WeakPolarHBondContact CB-SG 3.29Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.11Å
15	S	95.2	Very high	91	Very high	68 Å²	68	58.9 Å²	58.9	48%	0.476	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.4	176.9	-57.1	0	0	0	0	109.6	Q70	S15-Q70 WeakPolarHBondContact OG-CG 3.42Å; S15-Q70 PolarHBondContact OG-NE2 2.82Å
16	I	92.3	Very high	91.2	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.082	35%	0.345	C	S	.	.			trans	-91.9	138.8	178.7	-64	150.4	0	0	0	108.5	F19 I21 W27 N69 F71	I16-F19 HydrophobicContact CG2-CD2 4.24Å; I16-F19 HydrophobicContact CG2-CE2 4.02Å; I16-F19 HydrophobicContact CG2-CZ 4.24Å; I16-F19 WeakPolarHBondContact CG2-O 3.26Å; I16-I21 HydrophobicContact CD1-CB 3.68Å; I16-I21 HydrophobicContact CD1-CD1 3.56Å; I16-I21 HydrophobicContact CD1-CG1 3.35Å; I16-W27 HydrophobicContact CB-CH2 4.25Å; I16-W27 HydrophobicContact CD1-CD2 3.59Å; I16-W27 VanDerWaalsContact CD1-CE2 3.46Å; I16-W27 HydrophobicContact CD1-CE3 3.71Å; I16-W27 HydrophobicContact CD1-CG 4.31Å; I16-W27 HydrophobicContact CD1-CH2 3.48Å; I16-W27 VanDerWaalsContact CD1-CH2 3.48Å; I16-W27 HydrophobicContact CD1-CZ2 3.42Å; I16-W27 VanDerWaalsContact CD1-CZ2 3.42Å; I16-W27 HydrophobicContact CD1-CZ3 3.67Å; I16-W27 HydrophobicContact CG1-CD2 4.43Å; I16-W27 HydrophobicContact CG1-CE3 4.06Å; I16-W27 HydrophobicContact CG1-CH2 3.63Å; I16-W27 HydrophobicContact CG1-CZ2 4.1Å; I16-W27 HydrophobicContact CG1-CZ3 3.65Å; I16-W27 HydrophobicContact CG2-CH2 3.57Å; I16-W27 HydrophobicContact CG2-CZ2 4.11Å; I16-W27 HydrophobicContact CG2-CZ3 4.3Å; I16-N69 PolarHBondContact N-O 3.33Å; I16-N69 PolarHBondContact O-ND2 3.3Å; I16-F71 HydrophobicContact CD1-CD1 3.91Å; I16-F71 HydrophobicContact CD1-CE1 4.08Å; I16-F71 HydrophobicContact CG1-CD1 4.42Å; I16-F71 HydrophobicContact CG1-CE1 4.26Å
17	T	89.8	Confident	91.5	Very high	121 Å²	121	53.4 Å²	53.4	74%	0.742	33%	0.33	S	S	*	.			trans	-125.4	152.2	178.4	59.7	0	0	0	0	109.7	F19	T17-F19 VanDerWaalsContact C-N 3.33Å; T17-F19 PolarHBondContact O-N 2.99Å
18	G	87.1	Confident	91.8	Very high	86 Å²	86	49 Å²	49	89%	0.887	30%	0.298	S	S	*	.	S	Bend	trans	89.3	-25.7	178.2	0	0	0	0	0	115.5
19	F	88.2	Confident	92.1	Very high	55 Å²	55	44.6 Å²	44.6	24%	0.241	28%	0.278	C	S	.	.	S	Bend	trans	-159.5	162.8	178.9	53.6	-88.9	0	0	0	112.8	I16 T17 Y25 W27 N69 V100	I16-F19 HydrophobicContact CG2-CD2 4.24Å; I16-F19 HydrophobicContact CG2-CE2 4.02Å; I16-F19 HydrophobicContact CG2-CZ 4.24Å; I16-F19 WeakPolarHBondContact CG2-O 3.26Å; T17-F19 VanDerWaalsContact C-N 3.33Å; T17-F19 PolarHBondContact O-N 2.99Å; F19-Y25 HydrophobicContact CD2-CD2 4.04Å; F19-Y25 AromaticContact CD2-CE2 3.62Å; F19-Y25 HydrophobicContact CD2-CE2 3.62Å; F19-Y25 HydrophobicContact CE1-CE2 4.4Å; F19-Y25 AromaticContact CE2-CD2 3.37Å; F19-Y25 HydrophobicContact CE2-CD2 3.37Å; F19-Y25 HydrophobicContact CE2-CE1 4.29Å; F19-Y25 AromaticContact CE2-CE2 3.04Å; F19-Y25 HydrophobicContact CE2-CE2 3.04Å; F19-Y25 HydrophobicContact CE2-CG 4.12Å; F19-Y25 AromaticContact CE2-CZ 3.57Å; F19-Y25 HydrophobicContact CG-CE2 4.45Å; F19-Y25 HydrophobicContact CZ-CD2 4.12Å; F19-Y25 HydrophobicContact CZ-CE1 4.08Å; F19-Y25 AromaticContact CZ-CE2 3.52Å; F19-Y25 HydrophobicContact CZ-CE2 3.52Å; F19-Y25 AromaticContact CZ-CZ 3.49Å; F19-Y25 VanDerWaalsContact CZ-CZ 3.49Å; F19-W27 HydrophobicContact CD2-CH2 4.35Å; F19-W27 HydrophobicContact CD2-CZ2 4.4Å; F19-W27 AromaticContact CE2-CH2 3.28Å; F19-W27 HydrophobicContact CE2-CH2 3.28Å; F19-W27 AromaticContact CE2-CZ2 3.62Å; F19-W27 HydrophobicContact CE2-CZ2 3.62Å; F19-W27 HydrophobicContact CE2-CZ3 4.49Å; F19-W27 AromaticContact CZ-CH2 3.67Å; F19-W27 HydrophobicContact CZ-CH2 3.67Å; F19-W27 HydrophobicContact CZ-CZ2 4.44Å; F19-N69 PolarHBondContact O-ND2 3.17Å; F19-V100 HydrophobicContact CE1-CG2 4.42Å; F19-V100 HydrophobicContact CZ-CG2 4.12Å
20	P	91.9	Very high	92.3	Very high	71 Å²	71	41.5 Å²	41.5	46%	0.461	26%	0.255	S	S	.	.			trans	-64.1	144.8	177.1	-22.7	33.6	0	0	0	113.8	T22 S23 N69	P20-T22 PolarHBondContact O-N 3.38Å; P20-T22 VanDerWaalsContact O-N 3.11Å; P20-S23 WeakPolarHBondContact CD-OG 3.27Å; P20-S23 WeakPolarHBondContact O-CB 3.48Å; P20-S23 PolarHBondContact O-N 3.17Å; P20-S23 PolarHBondContact O-OG 3.37Å; P20-S23 VanDerWaalsContact O-OG 3.06Å; P20-N69 WeakPolarHBondContact CA-OD1 3.42Å
21	I	92.1	Very high	92.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.3	174.4	-170.8	166.9	0	0	0	112.6	I16 W27 R64 T66 N69 Q70 F71	I16-I21 HydrophobicContact CD1-CB 3.68Å; I16-I21 HydrophobicContact CD1-CD1 3.56Å; I16-I21 HydrophobicContact CD1-CG1 3.35Å; I21-W27 HydrophobicContact CG1-CD2 4.48Å; I21-W27 HydrophobicContact CG1-CG 4.32Å; I21-W27 HydrophobicContact CG1-CZ2 4.47Å; I21-W27 PolarHBondContact O-NE1 2.74Å; I21-R64 HydrophobicContact CD1-CB 3.97Å; I21-T66 HydrophobicContact CG2-CG2 4.08Å; I21-N69 WeakPolarHBondContact CB-OD1 3.49Å; I21-N69 PolarHBondContact N-OD1 2.89Å; I21-Q70 VanDerWaalsContact CD1-C 3.46Å; I21-Q70 VanDerWaalsContact CD1-O 3.25Å; I21-Q70 WeakPolarHBondContact CD1-O 3.46Å; I21-F71 HydrophobicContact CD1-CB 3.91Å; I21-F71 HydrophobicContact CD1-CD1 4.2Å; I21-F71 HydrophobicContact CD1-CG 4.48Å
22	T	92.5	Very high	92.6	Very high	63 Å²	63	39.9 Å²	39.9	39%	0.387	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.1	173.9	55.6	0	0	0	0	112.9	P20 T66	P20-T22 PolarHBondContact O-N 3.38Å; P20-T22 VanDerWaalsContact O-N 3.11Å; T22-T66 HydrophobicContact CG2-CG2 3.74Å
23	S	86.5	Confident	92.6	Very high	38 Å²	38	40 Å²	40	27%	0.266	25%	0.25	S	C	.	.	S	Bend	trans	-61	142.5	164.7	-63.9	0	0	0	0	108	P20 Y25 H46	P20-S23 WeakPolarHBondContact CD-OG 3.27Å; P20-S23 WeakPolarHBondContact O-CB 3.48Å; P20-S23 PolarHBondContact O-N 3.17Å; P20-S23 PolarHBondContact O-OG 3.37Å; P20-S23 VanDerWaalsContact O-OG 3.06Å; S23-Y25 WeakPolarHBondContact O-CD2 3.38Å; S23-Y25 PolarHBondContact O-N 2.98Å; S23-H46 WeakPolarHBondContact O-CB 3.39Å
24	G	88.3	Confident	92.4	Very high	21 Å²	21	41.8 Å²	41.8	22%	0.216	26%	0.262	C	S	.	.	S	Bend	trans	-58	56.4	-166.2	0	0	0	0	0	116.9	Y93	G24-Y93 WeakPolarHBondContact O-CB 3.32Å; G24-Y93 PolarHBondContact O-N 3.22Å
25	Y	90	Very high	92.4	Very high	32 Å²	32	45.6 Å²	45.6	13%	0.125	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	155.4	-180	-72.9	-93.1	0	0	0	110	F19 S23 W27 H46 D91 Y92 D99	F19-Y25 HydrophobicContact CD2-CD2 4.04Å; F19-Y25 AromaticContact CD2-CE2 3.62Å; F19-Y25 HydrophobicContact CD2-CE2 3.62Å; F19-Y25 HydrophobicContact CE1-CE2 4.4Å; F19-Y25 AromaticContact CE2-CD2 3.37Å; F19-Y25 HydrophobicContact CE2-CD2 3.37Å; F19-Y25 HydrophobicContact CE2-CE1 4.29Å; F19-Y25 AromaticContact CE2-CE2 3.04Å; F19-Y25 HydrophobicContact CE2-CE2 3.04Å; F19-Y25 HydrophobicContact CE2-CG 4.12Å; F19-Y25 AromaticContact CE2-CZ 3.57Å; F19-Y25 HydrophobicContact CG-CE2 4.45Å; F19-Y25 HydrophobicContact CZ-CD2 4.12Å; F19-Y25 HydrophobicContact CZ-CE1 4.08Å; F19-Y25 AromaticContact CZ-CE2 3.52Å; F19-Y25 HydrophobicContact CZ-CE2 3.52Å; F19-Y25 AromaticContact CZ-CZ 3.49Å; F19-Y25 VanDerWaalsContact CZ-CZ 3.49Å; S23-Y25 WeakPolarHBondContact O-CD2 3.38Å; S23-Y25 PolarHBondContact O-N 2.98Å; Y25-W27 HydrophobicContact CD2-CH2 4.33Å; Y25-W27 HydrophobicContact CD2-CZ2 4.03Å; Y25-W27 HydrophobicContact CG-CH2 4.11Å; Y25-W27 AromaticContact CG-CZ2 3.92Å; Y25-W27 HydrophobicContact CG-CZ2 3.92Å; Y25-H46 PolarHBondContact O-N 2.91Å; Y25-D91 CarbonylContact C-O 3.43Å; Y25-D91 WeakPolarHBondContact CA-O 3.47Å; Y25-Y92 HydrophobicContact CD1-CD2 4.26Å; Y25-Y92 AromaticContact CD2-CD2 3.93Å; Y25-Y92 HydrophobicContact CD2-CD2 3.93Å; Y25-Y92 AromaticContact CE1-CD2 3.91Å; Y25-Y92 HydrophobicContact CE1-CD2 3.91Å; Y25-Y92 HydrophobicContact CE1-CG 4.26Å; Y25-Y92 AromaticContact CE2-CD2 3.54Å; Y25-Y92 HydrophobicContact CE2-CD2 3.54Å; Y25-Y92 HydrophobicContact CE2-CE2 4.17Å; Y25-Y92 HydrophobicContact CG-CD2 4.27Å; Y25-Y92 AromaticContact CZ-CD2 3.54Å; Y25-D99 HydrophobicContact CE1-CB 4.3Å
26	Y	92.4	Very high	92.3	Very high	57 Å²	57	48.8 Å²	48.8	22%	0.224	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124	158.5	-57.2	-64.4	0	0	0	108.4	Y43 T45 G90 D91 Y93	Y26-Y43 HydrophobicContact CD1-CD2 4.02Å; Y26-Y43 AromaticContact CD1-CE2 3.92Å; Y26-Y43 HydrophobicContact CD1-CE2 3.92Å; Y26-Y43 HydrophobicContact CE1-CE2 4.35Å; Y26-Y43 HydrophobicContact CG-CD2 4.47Å; Y26-T45 HydrophobicContact CD1-CG2 3.7Å; Y26-T45 HydrophobicContact CE1-CG2 3.62Å; Y26-G90 WeakPolarHBondContact O-CA 3.49Å; Y26-D91 PolarHBondContact N-O 3.17Å; Y26-D91 PolarHBondContact O-N 2.81Å; Y26-Y93 AromaticContact CE2-CD2 3.81Å; Y26-Y93 HydrophobicContact CE2-CD2 3.81Å; Y26-Y93 AromaticContact CZ-CD2 3.7Å; Y26-Y93 WeakPolarHBondContact OH-CD2 3.13Å; Y26-Y93 VanDerWaalsContact OH-CE2 3.27Å; Y26-Y93 WeakPolarHBondContact OH-CE2 3.49Å
27	W	94.5	Very high	92.4	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.011	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.7	-178.8	-60.8	110.7	0	0	0	109.9	I16 F19 I21 Y25 Y43 I44 F71	I16-W27 HydrophobicContact CB-CH2 4.25Å; I16-W27 HydrophobicContact CD1-CD2 3.59Å; I16-W27 VanDerWaalsContact CD1-CE2 3.46Å; I16-W27 HydrophobicContact CD1-CE3 3.71Å; I16-W27 HydrophobicContact CD1-CG 4.31Å; I16-W27 HydrophobicContact CD1-CH2 3.48Å; I16-W27 VanDerWaalsContact CD1-CH2 3.48Å; I16-W27 HydrophobicContact CD1-CZ2 3.42Å; I16-W27 VanDerWaalsContact CD1-CZ2 3.42Å; I16-W27 HydrophobicContact CD1-CZ3 3.67Å; I16-W27 HydrophobicContact CG1-CD2 4.43Å; I16-W27 HydrophobicContact CG1-CE3 4.06Å; I16-W27 HydrophobicContact CG1-CH2 3.63Å; I16-W27 HydrophobicContact CG1-CZ2 4.1Å; I16-W27 HydrophobicContact CG1-CZ3 3.65Å; I16-W27 HydrophobicContact CG2-CH2 3.57Å; I16-W27 HydrophobicContact CG2-CZ2 4.11Å; I16-W27 HydrophobicContact CG2-CZ3 4.3Å; F19-W27 HydrophobicContact CD2-CH2 4.35Å; F19-W27 HydrophobicContact CD2-CZ2 4.4Å; F19-W27 AromaticContact CE2-CH2 3.28Å; F19-W27 HydrophobicContact CE2-CH2 3.28Å; F19-W27 AromaticContact CE2-CZ2 3.62Å; F19-W27 HydrophobicContact CE2-CZ2 3.62Å; F19-W27 HydrophobicContact CE2-CZ3 4.49Å; F19-W27 AromaticContact CZ-CH2 3.67Å; F19-W27 HydrophobicContact CZ-CH2 3.67Å; F19-W27 HydrophobicContact CZ-CZ2 4.44Å; I21-W27 HydrophobicContact CG1-CD2 4.48Å; I21-W27 HydrophobicContact CG1-CG 4.32Å; I21-W27 HydrophobicContact CG1-CZ2 4.47Å; I21-W27 PolarHBondContact O-NE1 2.74Å; Y25-W27 HydrophobicContact CD2-CH2 4.33Å; Y25-W27 HydrophobicContact CD2-CZ2 4.03Å; Y25-W27 HydrophobicContact CG-CH2 4.11Å; Y25-W27 AromaticContact CG-CZ2 3.92Å; Y25-W27 HydrophobicContact CG-CZ2 3.92Å; W27-Y43 CarbonylContact O-C 3.52Å; W27-Y43 WeakPolarHBondContact O-CA 3.21Å; W27-Y43 VanDerWaalsContact O-CB 3.3Å; W27-Y43 WeakPolarHBondContact O-CB 3.37Å; W27-I44 HydrophobicContact CB-CG2 3.79Å; W27-I44 PolarHBondContact N-O 3.31Å; W27-I44 PolarHBondContact O-N 2.77Å; W27-F71 HydrophobicContact CB-CD1 4.07Å; W27-F71 HydrophobicContact CB-CD2 4.01Å; W27-F71 HydrophobicContact CB-CE1 3.89Å; W27-F71 HydrophobicContact CB-CE2 3.84Å; W27-F71 HydrophobicContact CB-CG 4.11Å; W27-F71 HydrophobicContact CB-CZ 3.74Å; W27-F71 HydrophobicContact CD2-CE1 4.28Å; W27-F71 AromaticContact CE3-CE1 3.99Å; W27-F71 HydrophobicContact CE3-CE1 3.99Å; W27-F71 HydrophobicContact CE3-CZ 4.4Å; W27-F71 HydrophobicContact CG-CD1 4.36Å; W27-F71 HydrophobicContact CG-CE1 4.27Å
28	I	94.9	Very high	92.6	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.3	-157.6	-60.6	157.5	0	0	0	109.1	I30 W40 Y43 C88 A89 D91 F98	I28-I30 HydrophobicContact CG2-CD1 4.18Å; I28-I30 HydrophobicContact CG2-CG1 3.82Å; I28-W40 VanDerWaalsContact CG2-CD1 3.48Å; I28-Y43 HydrophobicContact CG1-CG 4.4Å; I28-C88 CarbonylContact O-C 3.56Å; I28-C88 VanDerWaalsContact O-CA 3.3Å; I28-C88 WeakPolarHBondContact O-CA 3.5Å; I28-A89 HydrophobicContact CB-CB 4.44Å; I28-A89 PolarHBondContact N-O 2.79Å; I28-A89 PolarHBondContact O-N 3.06Å; I28-D91 HydrophobicContact CD1-CB 3.62Å; I28-F98 HydrophobicContact CB-CE1 4.3Å; I28-F98 HydrophobicContact CD1-CD1 3.85Å; I28-F98 HydrophobicContact CD1-CE1 3.31Å; I28-F98 HydrophobicContact CD1-CZ 4.32Å; I28-F98 HydrophobicContact CG1-CE1 4.33Å; I28-F98 HydrophobicContact CG2-CE1 4.17Å
29	W	96.3	Very high	92.9	Very high	7 Å²	7	50 Å²	50	3%	0.027	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.8	168.7	-79	105.2	0	0	0	110.2	L12 C14 M41 G42 F71 L73 Y87 C88	L12-W29 HydrophobicContact CB-CH2 3.66Å; L12-W29 HydrophobicContact CB-CZ2 4.22Å; L12-W29 HydrophobicContact CB-CZ3 4.13Å; L12-W29 HydrophobicContact CD1-CH2 4.5Å; L12-W29 HydrophobicContact CD1-CZ3 4.12Å; C14-W29 HydrophobicContact CB-CH2 4.04Å; C14-W29 HydrophobicContact CB-CZ2 3.91Å; W29-M41 HydrophobicContact CB-CB 4.26Å; W29-M41 WeakPolarHBondContact O-CB 3.48Å; W29-M41 PolarHBondContact O-N 2.66Å; W29-G42 PolarHBondContact N-O 3.32Å; W29-F71 AromaticContact CD1-CD2 3.87Å; W29-F71 AromaticContact CD1-CE2 3.65Å; W29-F71 HydrophobicContact CD2-CE2 4.32Å; W29-F71 AromaticContact CE2-CD2 3.97Å; W29-F71 AromaticContact CE2-CE2 3.71Å; W29-F71 HydrophobicContact CG-CE2 4.28Å; W29-F71 HydrophobicContact CZ2-CD2 4.44Å; W29-F71 HydrophobicContact CZ2-CE2 4.3Å; W29-F71 AromaticContact NE1-CD2 3.24Å; W29-F71 AromaticContact NE1-CE2 3.26Å; W29-F71 VanDerWaalsContact NE1-CE2 3.26Å; W29-L73 HydrophobicContact CB-CD1 4.16Å; W29-L73 HydrophobicContact CB-CD2 4.43Å; W29-L73 HydrophobicContact CD2-CB 3.71Å; W29-L73 HydrophobicContact CD2-CD2 4.1Å; W29-L73 HydrophobicContact CD2-CG 4.34Å; W29-L73 VanDerWaalsContact CE2-CB 3.49Å; W29-L73 HydrophobicContact CE3-CB 4.29Å; W29-L73 HydrophobicContact CE3-CD2 4.15Å; W29-L73 HydrophobicContact CG-CB 3.96Å; W29-L73 HydrophobicContact CG-CD1 3.95Å; W29-L73 HydrophobicContact CG-CD2 4.22Å; W29-L73 HydrophobicContact CG-CG 4.29Å; W29-L73 HydrophobicContact CH2-CB 4.48Å; W29-L73 HydrophobicContact CZ2-CB 3.91Å; W29-Y87 VanDerWaalsContact CE3-O 3.28Å; W29-C88 HydrophobicContact CE3-CB 4.3Å; W29-C88 HydrophobicContact CH2-CB 4.25Å; W29-C88 HydrophobicContact CZ2-CB 4.5Å; W29-C88 HydrophobicContact CZ3-CB 4.15Å
30	I	95.4	Very high	93.1	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139	-177.8	-53.6	175.2	0	0	0	107.1	I28 L38 E39 Y86 Y87 A89 F98 W101	I28-I30 HydrophobicContact CG2-CD1 4.18Å; I28-I30 HydrophobicContact CG2-CG1 3.82Å; I30-L38 HydrophobicContact CG2-CB 3.87Å; I30-L38 HydrophobicContact CG2-CD2 4.07Å; I30-L38 HydrophobicContact CG2-CG 4.41Å; I30-E39 CarbonylContact C-O 3.54Å; I30-E39 WeakPolarHBondContact CA-O 3.39Å; I30-E39 WeakPolarHBondContact CG2-O 3.33Å; I30-Y86 CarbonylContact O-C 3.55Å; I30-Y87 PolarHBondContact N-O 2.89Å; I30-Y87 PolarHBondContact O-N 2.6Å; I30-A89 HydrophobicContact CD1-CB 4.14Å; I30-F98 HydrophobicContact CD1-CE1 4.18Å; I30-F98 HydrophobicContact CD1-CZ 4.19Å; I30-W101 HydrophobicContact CD1-CH2 3.36Å; I30-W101 HydrophobicContact CD1-CZ2 4.02Å; I30-W101 HydrophobicContact CD1-CZ3 3.82Å
31	R	94.9	Very high	93.3	Very high	21 Å²	21	48.1 Å²	48.1	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	155	171.4	69.2	177.3	-177.7	-176.2	1.1	111.7	E39 M41 D82 A84 M85 Y86	R31-E39 HydrophobicContact CG-CB 4.11Å; R31-E39 IonicContact CZ-OE2 2.98Å; R31-E39 VanDerWaalsContact CZ-OE2 3.29Å; R31-E39 PolarHBondContact N-O 2.86Å; R31-E39 IonicContact NE-OE2 3.32Å; R31-E39 PolarHBondContact NE-OE2 2.95Å; R31-E39 IonicContact NH2-OE1 2.83Å; R31-E39 PolarHBondContact NH2-OE1 3.37Å; R31-E39 IonicContact NH2-OE2 2.74Å; R31-E39 PolarHBondContact NH2-OE2 2.91Å; R31-E39 PolarHBondContact O-N 3.11Å; R31-M41 HydrophobicContact CB-CG 4.29Å; R31-M41 HydrophobicContact CB-SD 3.75Å; R31-M41 HydrophobicContact CG-CG 3.92Å; R31-M41 HydrophobicContact CG-SD 3.8Å; R31-D82 IonicContact NH1-OD1 2.77Å; R31-D82 PolarHBondContact NH1-OD1 3.36Å; R31-A84 HydrophobicContact CB-CB 4.08Å; R31-M85 CarbonylContact C-O 3.45Å; R31-M85 VanDerWaalsContact CA-O 3.26Å; R31-M85 WeakPolarHBondContact CA-O 3.11Å; R31-Y86 HydrophobicContact CB-CD1 3.86Å; R31-Y86 HydrophobicContact CB-CE1 3.8Å; R31-Y86 HydrophobicContact CB-CG 4.4Å
32	Q	95.6	Very high	93.4	Very high	69 Å²	69	48.1 Å²	48.1	32%	0.322	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	104.3	175	-163.4	179.6	17.8	0	0	109.7	K36 L38 A84 M85 Y87	Q32-K36 WeakPolarHBondContact CG-O 3.28Å; Q32-K36 PolarHBondContact NE2-O 2.8Å; Q32-L38 HydrophobicContact CB-CD2 3.83Å; Q32-L38 HydrophobicContact CG-CD2 4.01Å; Q32-A84 WeakPolarHBondContact O-CA 3.28Å; Q32-A84 WeakPolarHBondContact O-CB 3.33Å; Q32-M85 HydrophobicContact CB-CB 4.47Å; Q32-M85 PolarHBondContact N-O 3.02Å; Q32-M85 PolarHBondContact O-N 3.25Å; Q32-Y87 HydrophobicContact CB-CE2 3.95Å
33	S	94.3	Very high	93.5	Very high	14 Å²	14	47.8 Å²	47.8	10%	0.098	27%	0.269	C	S	.	.			trans	-70.5	152.3	170.8	-51.6	0	0	0	0	110.3	G35 K36	S33-G35 PolarHBondContact O-N 2.77Å; S33-K36 PolarHBondContact O-N 3.14Å
34	P	93.4	Very high	94	Very high	106 Å²	106	46.2 Å²	46.2	69%	0.688	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	125.5	176.4	-26.3	34.8	0	0	0	112	K36 T83	P34-K36 PolarHBondContact O-N 2.95Å; P34-T83 WeakPolarHBondContact CD-O 3.32Å
35	G	93.9	Very high	94.2	Very high	95 Å²	95	45.4 Å²	45.4	98%	0.979	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	7.3	179.9	0	0	0	0	0	115.8	S33	S33-G35 PolarHBondContact O-N 2.77Å
36	K	93.6	Very high	94.2	Very high	135 Å²	135	47.1 Å²	47.1	59%	0.587	26%	0.258	S	S	*	.	S	Bend	trans	-110.4	156.5	177.6	-65.4	-164.4	-176.2	175.9	0	111.9	Q32 S33 P34	Q32-K36 WeakPolarHBondContact CG-O 3.28Å; Q32-K36 PolarHBondContact NE2-O 2.8Å; S33-K36 PolarHBondContact O-N 3.14Å; P34-K36 PolarHBondContact O-N 2.95Å
37	P	93.8	Very high	94.1	Very high	107 Å²	107	47.8 Å²	47.8	70%	0.695	27%	0.27	S	S	*	.			trans	-65.5	171	170.5	29.7	-36.2	0	0	0	111.5	E39	P37-E39 PolarHBondContact O-N 3.16Å
38	L	94.1	Very high	94	Very high	89 Å²	89	49 Å²	49	47%	0.466	28%	0.284	S	S	.	.			trans	-62.3	131.7	171.1	-63.8	177.2	0	0	0	110.4	I30 Q32 Y87 W101	I30-L38 HydrophobicContact CG2-CB 3.87Å; I30-L38 HydrophobicContact CG2-CD2 4.07Å; I30-L38 HydrophobicContact CG2-CG 4.41Å; Q32-L38 HydrophobicContact CB-CD2 3.83Å; Q32-L38 HydrophobicContact CG-CD2 4.01Å; L38-Y87 HydrophobicContact CD2-CD2 4.36Å; L38-Y87 HydrophobicContact CD2-CE2 4.19Å; L38-W101 HydrophobicContact CD1-CH2 3.88Å; L38-W101 HydrophobicContact CD1-CZ3 4.37Å
39	E	93.9	Very high	94	Very high	51 Å²	51	54.3 Å²	54.3	24%	0.238	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117	177.1	-174.2	-175.7	-174.2	0	0	108.9	I30 R31 P37 M41	I30-E39 CarbonylContact C-O 3.54Å; I30-E39 WeakPolarHBondContact CA-O 3.39Å; I30-E39 WeakPolarHBondContact CG2-O 3.33Å; R31-E39 HydrophobicContact CG-CB 4.11Å; R31-E39 IonicContact CZ-OE2 2.98Å; R31-E39 VanDerWaalsContact CZ-OE2 3.29Å; R31-E39 PolarHBondContact N-O 2.86Å; R31-E39 IonicContact NE-OE2 3.32Å; R31-E39 PolarHBondContact NE-OE2 2.95Å; R31-E39 IonicContact NH2-OE1 2.83Å; R31-E39 PolarHBondContact NH2-OE1 3.37Å; R31-E39 IonicContact NH2-OE2 2.74Å; R31-E39 PolarHBondContact NH2-OE2 2.91Å; R31-E39 PolarHBondContact O-N 3.11Å; P37-E39 PolarHBondContact O-N 3.16Å; E39-M41 PolarHBondContact O-N 2.99Å
40	W	93.6	Very high	94	Very high	88 Å²	88	56.5 Å²	56.5	33%	0.333	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.1	172.2	170.9	72.2	0	0	0	109.8	I28 G42 Y43 N53	I28-W40 VanDerWaalsContact CG2-CD1 3.48Å; W40-G42 VanDerWaalsContact CE2-CA 3.5Å; W40-G42 VanDerWaalsContact CZ2-CA 3.45Å; W40-G42 PolarHBondContact NE1-O 2.89Å; W40-Y43 AromaticContact CE2-CD1 3.95Å; W40-Y43 AromaticContact CZ2-CD1 3.52Å; W40-Y43 HydrophobicContact CZ2-CD1 3.52Å; W40-Y43 AromaticContact CZ2-CE1 3.84Å; W40-Y43 HydrophobicContact CZ2-CE1 3.84Å; W40-Y43 AromaticContact NE1-CD1 3.82Å; W40-N53 HydrophobicContact CD2-CB 4.37Å; W40-N53 HydrophobicContact CE3-CB 3.49Å; W40-N53 VanDerWaalsContact CE3-CB 3.49Å; W40-N53 HydrophobicContact CH2-CB 4.35Å; W40-N53 HydrophobicContact CZ3-CB 3.5Å; W40-N53 VanDerWaalsContact CZ3-CB 3.5Å; W40-N53 VanDerWaalsContact O-CB 3.28Å; W40-N53 WeakPolarHBondContact O-CB 3.5Å; W40-N53 PolarHBondContact O-ND2 3.14Å
41	M	94.9	Very high	93.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-37.3	-179.5	-58.3	-172.4	73.7	0	0	112.6	W29 R31 E39 N53 L56 V60 L73 L75 Y86	W29-M41 HydrophobicContact CB-CB 4.26Å; W29-M41 WeakPolarHBondContact O-CB 3.48Å; W29-M41 PolarHBondContact O-N 2.66Å; R31-M41 HydrophobicContact CB-CG 4.29Å; R31-M41 HydrophobicContact CB-SD 3.75Å; R31-M41 HydrophobicContact CG-CG 3.92Å; R31-M41 HydrophobicContact CG-SD 3.8Å; E39-M41 PolarHBondContact O-N 2.99Å; M41-N53 WeakPolarHBondContact O-CB 3.39Å; M41-N53 PolarHBondContact O-N 3.29Å; M41-L56 HydrophobicContact CB-CD1 3.99Å; M41-L56 HydrophobicContact CE-CD1 4.42Å; M41-L56 HydrophobicContact CE-CD2 4.14Å; M41-L56 HydrophobicContact CG-CD2 4.32Å; M41-L56 WeakPolarHBondContact O-CD1 3.46Å; M41-V60 HydrophobicContact CE-CG2 4.26Å; M41-L73 HydrophobicContact CE-CD2 4.17Å; M41-L73 HydrophobicContact SD-CD2 3.91Å; M41-L75 HydrophobicContact CE-CD1 4.29Å; M41-L75 HydrophobicContact CE-CD2 3.68Å; M41-Y86 HydrophobicContact CE-CE1 4.01Å; M41-Y86 HydrophobicContact SD-CD1 3.86Å; M41-Y86 HydrophobicContact SD-CE1 3.64Å
42	G	95	Very high	93.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.5	173.4	-173.3	0	0	0	0	0	111.4	W29 W40 F51 I62	W29-G42 PolarHBondContact N-O 3.32Å; W40-G42 VanDerWaalsContact CE2-CA 3.5Å; W40-G42 VanDerWaalsContact CZ2-CA 3.45Å; W40-G42 PolarHBondContact NE1-O 2.89Å; G42-F51 CarbonylContact C-O 3.53Å; G42-F51 WeakPolarHBondContact CA-O 3.19Å; G42-I62 VanDerWaalsContact C-CD1 3.42Å
43	Y	94.8	Very high	93.7	Very high	55 Å²	55	62 Å²	62	22%	0.216	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	161	172.9	66.9	-100.7	0	0	0	112.5	Y26 W27 I28 W40 T45 T50 F51	Y26-Y43 HydrophobicContact CD1-CD2 4.02Å; Y26-Y43 AromaticContact CD1-CE2 3.92Å; Y26-Y43 HydrophobicContact CD1-CE2 3.92Å; Y26-Y43 HydrophobicContact CE1-CE2 4.35Å; Y26-Y43 HydrophobicContact CG-CD2 4.47Å; W27-Y43 CarbonylContact O-C 3.52Å; W27-Y43 WeakPolarHBondContact O-CA 3.21Å; W27-Y43 VanDerWaalsContact O-CB 3.3Å; W27-Y43 WeakPolarHBondContact O-CB 3.37Å; I28-Y43 HydrophobicContact CG1-CG 4.4Å; W40-Y43 AromaticContact CE2-CD1 3.95Å; W40-Y43 AromaticContact CZ2-CD1 3.52Å; W40-Y43 HydrophobicContact CZ2-CD1 3.52Å; W40-Y43 AromaticContact CZ2-CE1 3.84Å; W40-Y43 HydrophobicContact CZ2-CE1 3.84Å; W40-Y43 AromaticContact NE1-CD1 3.82Å; Y43-T45 HydrophobicContact CD2-CG2 4.18Å; Y43-T45 HydrophobicContact CE2-CG2 3.79Å; Y43-T50 WeakPolarHBondContact O-CA 2.79Å; Y43-F51 HydrophobicContact CD1-CB 4.17Å; Y43-F51 HydrophobicContact CD2-CB 4.44Å; Y43-F51 HydrophobicContact CD2-CD2 4.21Å; Y43-F51 HydrophobicContact CE1-CB 3.67Å; Y43-F51 HydrophobicContact CE1-CD2 4.4Å; Y43-F51 HydrophobicContact CE1-CG 4.17Å; Y43-F51 HydrophobicContact CE2-CB 3.98Å; Y43-F51 AromaticContact CE2-CD2 3.31Å; Y43-F51 HydrophobicContact CE2-CD2 3.31Å; Y43-F51 HydrophobicContact CE2-CE2 4.07Å; Y43-F51 AromaticContact CE2-CG 3.91Å; Y43-F51 HydrophobicContact CE2-CG 3.91Å; Y43-F51 AromaticContact CZ-CD2 3.42Å; Y43-F51 VanDerWaalsContact CZ-CD2 3.42Å; Y43-F51 AromaticContact CZ-CG 3.56Å; Y43-F51 PolarHBondContact N-O 3.5Å; Y43-F51 PolarHBondContact O-N 2.89Å; Y43-F51 VanDerWaalsContact OH-CD2 3.26Å; Y43-F51 WeakPolarHBondContact OH-CD2 3.12Å; Y43-F51 WeakPolarHBondContact OH-CG 3.41Å
44	I	95.7	Very high	93.4	Very high	6 Å²	6	67.2 Å²	67.2	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.8	167.5	-171.7	164.3	0	0	0	109.7	W27 E49 T50 I62 R64 F71	W27-I44 HydrophobicContact CB-CG2 3.79Å; W27-I44 PolarHBondContact N-O 3.31Å; W27-I44 PolarHBondContact O-N 2.77Å; I44-E49 CarbonylContact C-O 3.48Å; I44-E49 VanDerWaalsContact CA-O 3.28Å; I44-E49 WeakPolarHBondContact CA-O 3.3Å; I44-T50 HydrophobicContact CB-CG2 4.06Å; I44-T50 HydrophobicContact CD1-CG2 3.83Å; I44-T50 HydrophobicContact CG1-CG2 3.83Å; I44-I62 HydrophobicContact CB-CG2 3.79Å; I44-I62 HydrophobicContact CG2-CG2 3.77Å; I44-R64 HydrophobicContact CD1-CB 4Å; I44-R64 HydrophobicContact CD1-CG 3.81Å; I44-F71 HydrophobicContact CG2-CB 4.3Å; I44-F71 HydrophobicContact CG2-CD2 4.32Å
45	T	93.3	Very high	93	Very high	4 Å²	4	66.4 Å²	66.4	3%	0.025	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	164.3	179.7	71.6	0	0	0	0	111.3	Y26 Y43 S47 G48 E49 F51 R64	Y26-T45 HydrophobicContact CD1-CG2 3.7Å; Y26-T45 HydrophobicContact CE1-CG2 3.62Å; Y43-T45 HydrophobicContact CD2-CG2 4.18Å; Y43-T45 HydrophobicContact CE2-CG2 3.79Å; T45-S47 PolarHBondContact O-N 3.49Å; T45-S47 PolarHBondContact OG1-N 3.18Å; T45-S47 PolarHBondContact OG1-OG 3.09Å; T45-G48 WeakPolarHBondContact O-CA 3.21Å; T45-G48 PolarHBondContact O-N 2.78Å; T45-G48 PolarHBondContact OG1-N 2.8Å; T45-E49 HydrophobicContact CG2-CB 3.92Å; T45-E49 PolarHBondContact N-O 2.83Å; T45-E49 PolarHBondContact OG1-N 3.28Å; T45-F51 HydrophobicContact CG2-CE2 4.4Å; T45-R64 PolarHBondContact O-NH1 2.88Å
46	H	89.4	Confident	92.5	Very high	68 Å²	68	63.2 Å²	63.2	32%	0.315	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.1	167.4	70.2	-87.1	0	0	0	113.6	S23 Y25 R64	S23-H46 WeakPolarHBondContact O-CB 3.39Å; Y25-H46 PolarHBondContact O-N 2.91Å; H46-R64 PolarHBondContact O-NH1 3.5Å; H46-R64 PolarHBondContact O-NH2 3.27Å; H46-R64 VanDerWaalsContact O-NH2 3.09Å
47	S	91.6	Very high	91.5	Very high	70 Å²	70	63.9 Å²	63.9	49%	0.49	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.2	171.6	57	0	0	0	0	113	T45 R64	T45-S47 PolarHBondContact O-N 3.49Å; T45-S47 PolarHBondContact OG1-N 3.18Å; T45-S47 PolarHBondContact OG1-OG 3.09Å; S47-R64 PolarHBondContact O-NH2 2.92Å
48	G	92.1	Very high	90.6	Very high	29 Å²	29	59.2 Å²	59.2	30%	0.299	31%	0.312	S	S	.	.			trans	97.9	6.2	178.3	0	0	0	0	0	114.4	T45	T45-G48 WeakPolarHBondContact O-CA 3.21Å; T45-G48 PolarHBondContact O-N 2.78Å; T45-G48 PolarHBondContact OG1-N 2.8Å
49	E	94.1	Very high	90.2	Very high	118 Å²	118	58.7 Å²	58.7	55%	0.551	31%	0.314	S	S	*	.			trans	-71.1	143.7	173	-63.2	174.4	147.9	0	0	110	I44 T45 F51	I44-E49 CarbonylContact C-O 3.48Å; I44-E49 VanDerWaalsContact CA-O 3.28Å; I44-E49 WeakPolarHBondContact CA-O 3.3Å; T45-E49 HydrophobicContact CG2-CB 3.92Å; T45-E49 PolarHBondContact N-O 2.83Å; T45-E49 PolarHBondContact OG1-N 3.28Å; E49-F51 HydrophobicContact CB-CE2 4.08Å
50	T	95.8	Very high	90.1	Very high	54 Å²	54	57.6 Å²	57.6	33%	0.331	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.2	-177.5	55.6	0	0	0	0	111.1	Y43 I44 Y52 I62	Y43-T50 WeakPolarHBondContact O-CA 2.79Å; I44-T50 HydrophobicContact CB-CG2 4.06Å; I44-T50 HydrophobicContact CD1-CG2 3.83Å; I44-T50 HydrophobicContact CG1-CG2 3.83Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.48Å; T50-Y52 PolarHBondContact OG1-OH 2.84Å; T50-I62 WeakPolarHBondContact CG2-O 3.26Å
51	F	94.6	Very high	90.2	Very high	96 Å²	96	55.1 Å²	55.1	42%	0.421	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.8	176.4	-68.8	-96.9	0	0	0	108.9	G42 Y43 T45 E49	G42-F51 CarbonylContact C-O 3.53Å; G42-F51 WeakPolarHBondContact CA-O 3.19Å; Y43-F51 HydrophobicContact CD1-CB 4.17Å; Y43-F51 HydrophobicContact CD2-CB 4.44Å; Y43-F51 HydrophobicContact CD2-CD2 4.21Å; Y43-F51 HydrophobicContact CE1-CB 3.67Å; Y43-F51 HydrophobicContact CE1-CD2 4.4Å; Y43-F51 HydrophobicContact CE1-CG 4.17Å; Y43-F51 HydrophobicContact CE2-CB 3.98Å; Y43-F51 AromaticContact CE2-CD2 3.31Å; Y43-F51 HydrophobicContact CE2-CD2 3.31Å; Y43-F51 HydrophobicContact CE2-CE2 4.07Å; Y43-F51 AromaticContact CE2-CG 3.91Å; Y43-F51 HydrophobicContact CE2-CG 3.91Å; Y43-F51 AromaticContact CZ-CD2 3.42Å; Y43-F51 VanDerWaalsContact CZ-CD2 3.42Å; Y43-F51 AromaticContact CZ-CG 3.56Å; Y43-F51 PolarHBondContact N-O 3.5Å; Y43-F51 PolarHBondContact O-N 2.89Å; Y43-F51 VanDerWaalsContact OH-CD2 3.26Å; Y43-F51 WeakPolarHBondContact OH-CD2 3.12Å; Y43-F51 WeakPolarHBondContact OH-CG 3.41Å; T45-F51 HydrophobicContact CG2-CE2 4.4Å; E49-F51 HydrophobicContact CB-CE2 4.08Å
52	Y	94.2	Very high	90.2	Very high	88 Å²	88	55.3 Å²	55.3	35%	0.345	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.5	-172.8	-58.8	-82.6	0	0	0	110.5	T50 P54 V60 I62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.48Å; T50-Y52 PolarHBondContact OG1-OH 2.84Å; Y52-P54 WeakPolarHBondContact O-CD 3.47Å; Y52-V60 HydrophobicContact CD1-CB 4.22Å; Y52-V60 HydrophobicContact CD1-CG1 4.12Å; Y52-V60 HydrophobicContact CE1-CB 4.46Å; Y52-V60 HydrophobicContact CE1-CG1 4.16Å; Y52-V60 WeakPolarHBondContact CE1-O 3.45Å; Y52-I62 HydrophobicContact CD1-CD1 4.36Å; Y52-I62 HydrophobicContact CE1-CB 4.25Å; Y52-I62 HydrophobicContact CE1-CD1 4.13Å; Y52-I62 HydrophobicContact CE1-CG1 3.95Å; Y52-I62 PolarHBondContact OH-N 2.91Å
53	N	92	Very high	90.3	Very high	29 Å²	29	58.1 Å²	58.1	16%	0.155	33%	0.325	C	S	.	.			trans	-74.1	120.2	170.5	-174.5	-19.4	0	0	0	109.9	W40 M41 S55 L56	W40-N53 HydrophobicContact CD2-CB 4.37Å; W40-N53 HydrophobicContact CE3-CB 3.49Å; W40-N53 VanDerWaalsContact CE3-CB 3.49Å; W40-N53 HydrophobicContact CH2-CB 4.35Å; W40-N53 HydrophobicContact CZ3-CB 3.5Å; W40-N53 VanDerWaalsContact CZ3-CB 3.5Å; W40-N53 VanDerWaalsContact O-CB 3.28Å; W40-N53 WeakPolarHBondContact O-CB 3.5Å; W40-N53 PolarHBondContact O-ND2 3.14Å; M41-N53 WeakPolarHBondContact O-CB 3.39Å; M41-N53 PolarHBondContact O-N 3.29Å; N53-S55 PolarHBondContact O-N 2.8Å; N53-S55 WeakPolarHBondContact OD1-CB 3.36Å; N53-S55 PolarHBondContact OD1-N 2.76Å; N53-S55 PolarHBondContact OD1-OG 3.39Å; N53-L56 HydrophobicContact CB-CD1 4.03Å; N53-L56 HydrophobicContact CB-CG 3.98Å; N53-L56 WeakPolarHBondContact O-CG 3Å; N53-L56 PolarHBondContact O-N 3.09Å
54	P	87.4	Confident	90.3	Very high	124 Å²	124	58.6 Å²	58.6	81%	0.805	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.5	-179.1	28.5	-36.3	0	0	0	113.6	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-L56 VanDerWaalsContact C-N 3.29Å
55	S	85.1	Confident	90.2	Very high	88 Å²	88	61.2 Å²	61.2	62%	0.615	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.6	178.9	-57.7	0	0	0	0	114	N53 Q57	N53-S55 PolarHBondContact O-N 2.8Å; N53-S55 WeakPolarHBondContact OD1-CB 3.36Å; N53-S55 PolarHBondContact OD1-N 2.76Å; N53-S55 PolarHBondContact OD1-OG 3.39Å; S55-Q57 PolarHBondContact O-N 3.37Å
56	L	82.9	Confident	90.3	Very high	28 Å²	28	64.5 Å²	64.5	15%	0.147	36%	0.359	C	S	.	.			trans	-74.1	127.5	178.6	-65.2	171.3	0	0	0	111.1	M41 N53 P54 V60	M41-L56 HydrophobicContact CB-CD1 3.99Å; M41-L56 HydrophobicContact CE-CD1 4.42Å; M41-L56 HydrophobicContact CE-CD2 4.14Å; M41-L56 HydrophobicContact CG-CD2 4.32Å; M41-L56 WeakPolarHBondContact O-CD1 3.46Å; N53-L56 HydrophobicContact CB-CD1 4.03Å; N53-L56 HydrophobicContact CB-CG 3.98Å; N53-L56 WeakPolarHBondContact O-CG 3Å; N53-L56 PolarHBondContact O-N 3.09Å; P54-L56 VanDerWaalsContact C-N 3.29Å; L56-V60 HydrophobicContact CB-CG2 4.41Å; L56-V60 HydrophobicContact CD1-CB 4.33Å; L56-V60 HydrophobicContact CD1-CG2 3.64Å
57	Q	73.4	Confident	90.4	Very high	149 Å²	149	66.3 Å²	66.3	70%	0.696	38%	0.379	S	S	*	.	S	Bend	trans	-77.5	-38.2	177.6	-64.7	-177	48.7	0	0	112.4	S55 E81	S55-Q57 PolarHBondContact O-N 3.37Å; Q57-E81 PolarHBondContact NE2-OE2 2.97Å
58	S	75.7	Confident	90.6	Very high	10 Å²	10	68.5 Å²	68.5	7%	0.07	38%	0.379	C	S	.	.	S	Bend	trans	-84.6	135.3	-178	-59	0	0	0	0	110.5	V60 D82	S58-V60 WeakPolarHBondContact O-CG2 3.16Å; S58-V60 PolarHBondContact O-N 3Å; S58-V60 VanDerWaalsContact O-N 3.16Å; S58-D82 PolarHBondContact OG-OD1 2.78Å; S58-D82 PolarHBondContact OG-OD2 3.06Å
59	P	85.6	Confident	90.7	Very high	78 Å²	78	68.8 Å²	68.8	51%	0.506	37%	0.374	S	S	.	.			trans	-58.8	120.6	174	-22.7	32	0	0	0	110.8	N76	P59-N76 HydrophobicContact CB-CB 4.43Å; P59-N76 PolarHBondContact O-N 3.01Å
60	V	91.5	Very high	90.8	Very high	27 Å²	27	65.2 Å²	65.2	16%	0.164	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.2	-177.6	-178.2	0	0	0	0	110.1	M41 Y52 L56 S58 I62 L73 Q74 L75	M41-V60 HydrophobicContact CE-CG2 4.26Å; Y52-V60 HydrophobicContact CD1-CB 4.22Å; Y52-V60 HydrophobicContact CD1-CG1 4.12Å; Y52-V60 HydrophobicContact CE1-CB 4.46Å; Y52-V60 HydrophobicContact CE1-CG1 4.16Å; Y52-V60 WeakPolarHBondContact CE1-O 3.45Å; L56-V60 HydrophobicContact CB-CG2 4.41Å; L56-V60 HydrophobicContact CD1-CB 4.33Å; L56-V60 HydrophobicContact CD1-CG2 3.64Å; S58-V60 WeakPolarHBondContact O-CG2 3.16Å; S58-V60 PolarHBondContact O-N 3Å; S58-V60 VanDerWaalsContact O-N 3.16Å; V60-I62 HydrophobicContact CG1-CG1 4.25Å; V60-L73 HydrophobicContact CG1-CD1 3.36Å; V60-Q74 WeakPolarHBondContact CA-O 3.28Å; V60-L75 HydrophobicContact CB-CD2 4.09Å; V60-L75 HydrophobicContact CG1-CD2 3.99Å; V60-L75 HydrophobicContact CG2-CD2 3.34Å
61	S	94.6	Very high	90.8	Very high	37 Å²	37	62.7 Å²	62.7	26%	0.259	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128	169.8	176.8	0	0	0	0	109.5	Q74	S61-Q74 PolarHBondContact N-O 2.87Å; S61-Q74 PolarHBondContact O-N 2.88Å
62	I	96.2	Very high	90.9	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.3	175.3	-61.4	170.2	0	0	0	107.7	G42 I44 T50 Y52 V60 F72 L73	G42-I62 VanDerWaalsContact C-CD1 3.42Å; I44-I62 HydrophobicContact CB-CG2 3.79Å; I44-I62 HydrophobicContact CG2-CG2 3.77Å; T50-I62 WeakPolarHBondContact CG2-O 3.26Å; Y52-I62 HydrophobicContact CD1-CD1 4.36Å; Y52-I62 HydrophobicContact CE1-CB 4.25Å; Y52-I62 HydrophobicContact CE1-CD1 4.13Å; Y52-I62 HydrophobicContact CE1-CG1 3.95Å; Y52-I62 PolarHBondContact OH-N 2.91Å; V60-I62 HydrophobicContact CG1-CG1 4.25Å; I62-F72 WeakPolarHBondContact CA-O 3.34Å; I62-L73 HydrophobicContact CD1-CD1 4.44Å; I62-L73 HydrophobicContact CG1-CD1 3.83Å
63	T	95.6	Very high	91	Very high	59 Å²	59	54.8 Å²	54.8	36%	0.362	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	163.9	-178.8	59.3	0	0	0	0	110.8	F71 F72	T63-F71 CarbonylContact O-C 3.6Å; T63-F71 VanDerWaalsContact O-CA 3.26Å; T63-F71 WeakPolarHBondContact O-CA 3.34Å; T63-F71 VanDerWaalsContact O-CB 3.3Å; T63-F71 WeakPolarHBondContact O-CB 3.16Å; T63-F72 PolarHBondContact N-O 2.91Å; T63-F72 VanDerWaalsContact N-O 3.08Å; T63-F72 PolarHBondContact O-N 2.85Å
64	R	95	Very high	91.1	Very high	65 Å²	65	56.5 Å²	56.5	25%	0.245	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.9	175.9	71.5	177.4	-176.1	176.5	-0.1	112.7	I21 I44 T45 H46 S47 Q70 F71	I21-R64 HydrophobicContact CD1-CB 3.97Å; I44-R64 HydrophobicContact CD1-CB 4Å; I44-R64 HydrophobicContact CD1-CG 3.81Å; T45-R64 PolarHBondContact O-NH1 2.88Å; H46-R64 PolarHBondContact O-NH1 3.5Å; H46-R64 PolarHBondContact O-NH2 3.27Å; H46-R64 VanDerWaalsContact O-NH2 3.09Å; S47-R64 PolarHBondContact O-NH2 2.92Å; R64-Q70 CarbonylContact C-O 3.44Å; R64-Q70 WeakPolarHBondContact CA-O 3.21Å; R64-F71 HydrophobicContact CB-CB 4.1Å
65	E	95	Very high	91.4	Very high	61 Å²	61	50.6 Å²	50.6	29%	0.285	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	98.2	171.7	-176.8	171.6	-170.4	0	0	109.3	S67 K68 N69 Q70 F72	E65-S67 VanDerWaalsContact C-N 3.3Å; E65-S67 WeakPolarHBondContact CG-OG 3.16Å; E65-S67 PolarHBondContact O-N 3.18Å; E65-K68 HydrophobicContact CG-CB 4.17Å; E65-K68 HydrophobicContact CG-CD 4.39Å; E65-K68 HydrophobicContact CG-CG 4.05Å; E65-K68 PolarHBondContact O-N 3.36Å; E65-K68 WeakPolarHBondContact OE1-CE 2.95Å; E65-K68 IonicContact OE1-NZ 3.29Å; E65-K68 PolarHBondContact OE1-NZ 2.87Å; E65-K68 VanDerWaalsContact OE2-CD 3.29Å; E65-K68 WeakPolarHBondContact OE2-CD 3.05Å; E65-K68 WeakPolarHBondContact OE2-CE 3.32Å; E65-K68 IonicContact OE2-NZ 2.85Å; E65-K68 PolarHBondContact OE2-NZ 3.32Å; E65-N69 PolarHBondContact O-N 2.85Å; E65-N69 VanDerWaalsContact O-N 3.14Å; E65-Q70 PolarHBondContact N-O 2.83Å; E65-Q70 PolarHBondContact O-N 3.16Å; E65-F72 HydrophobicContact CB-CE2 3.62Å; E65-F72 HydrophobicContact CB-CZ 4.05Å
66	T	93.8	Very high	91.6	Very high	73 Å²	73	48.6 Å²	48.6	45%	0.448	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.1	-36.6	-175.3	-52.7	0	0	0	0	112.9	I21 T22 K68 N69	I21-T66 HydrophobicContact CG2-CG2 4.08Å; T22-T66 HydrophobicContact CG2-CG2 3.74Å; T66-K68 PolarHBondContact O-N 3Å; T66-N69 PolarHBondContact O-N 2.97Å; T66-N69 VanDerWaalsContact O-N 3.17Å
67	S	93.2	Very high	92	Very high	105 Å²	105	50.8 Å²	50.8	73%	0.734	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-62.3	-29.8	179.4	54.8	0	0	0	0	113.2	E65	E65-S67 VanDerWaalsContact C-N 3.3Å; E65-S67 WeakPolarHBondContact CG-OG 3.16Å; E65-S67 PolarHBondContact O-N 3.18Å
68	K	94.9	Very high	92.8	Very high	117 Å²	117	43.7 Å²	43.7	51%	0.509	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-100.9	-1.3	178.7	-62.9	-169.2	-168.9	134	0	113.5	E65 T66 Q70	E65-K68 HydrophobicContact CG-CB 4.17Å; E65-K68 HydrophobicContact CG-CD 4.39Å; E65-K68 HydrophobicContact CG-CG 4.05Å; E65-K68 PolarHBondContact O-N 3.36Å; E65-K68 WeakPolarHBondContact OE1-CE 2.95Å; E65-K68 IonicContact OE1-NZ 3.29Å; E65-K68 PolarHBondContact OE1-NZ 2.87Å; E65-K68 VanDerWaalsContact OE2-CD 3.29Å; E65-K68 WeakPolarHBondContact OE2-CD 3.05Å; E65-K68 WeakPolarHBondContact OE2-CE 3.32Å; E65-K68 IonicContact OE2-NZ 2.85Å; E65-K68 PolarHBondContact OE2-NZ 3.32Å; T66-K68 PolarHBondContact O-N 3Å; K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 HydrophobicContact CB-CB 4.25Å; K68-Q70 HydrophobicContact CB-CG 4.18Å; K68-Q70 WeakPolarHBondContact O-CG 3.41Å; K68-Q70 PolarHBondContact O-N 2.04Å
69	N	94.8	Very high	93.6	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.182	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	41.3	-174.6	-147.9	41	0	0	0	113.1	I16 F19 P20 I21 E65 T66	I16-N69 PolarHBondContact N-O 3.33Å; I16-N69 PolarHBondContact O-ND2 3.3Å; F19-N69 PolarHBondContact O-ND2 3.17Å; P20-N69 WeakPolarHBondContact CA-OD1 3.42Å; I21-N69 WeakPolarHBondContact CB-OD1 3.49Å; I21-N69 PolarHBondContact N-OD1 2.89Å; E65-N69 PolarHBondContact O-N 2.85Å; E65-N69 VanDerWaalsContact O-N 3.14Å; T66-N69 PolarHBondContact O-N 2.97Å; T66-N69 VanDerWaalsContact O-N 3.17Å
70	Q	96.1	Very high	93.8	Very high	43 Å²	43	46.3 Å²	46.3	20%	0.201	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.5	-171.9	-78.9	170.8	-6	0	0	111.9	T13 C14 S15 I21 R64 E65 K68 F72	T13-Q70 HydrophobicContact CG2-CB 4.26Å; T13-Q70 HydrophobicContact CG2-CG 3.99Å; C14-Q70 VanDerWaalsContact O-CA 3.29Å; C14-Q70 WeakPolarHBondContact O-CA 3.4Å; S15-Q70 WeakPolarHBondContact OG-CG 3.42Å; S15-Q70 PolarHBondContact OG-NE2 2.82Å; I21-Q70 VanDerWaalsContact CD1-C 3.46Å; I21-Q70 VanDerWaalsContact CD1-O 3.25Å; I21-Q70 WeakPolarHBondContact CD1-O 3.46Å; R64-Q70 CarbonylContact C-O 3.44Å; R64-Q70 WeakPolarHBondContact CA-O 3.21Å; E65-Q70 PolarHBondContact N-O 2.83Å; E65-Q70 PolarHBondContact O-N 3.16Å; K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 HydrophobicContact CB-CB 4.25Å; K68-Q70 HydrophobicContact CB-CG 4.18Å; K68-Q70 WeakPolarHBondContact O-CG 3.41Å; K68-Q70 PolarHBondContact O-N 2.04Å; Q70-F72 HydrophobicContact CB-CE1 4.13Å; Q70-F72 HydrophobicContact CB-CE2 4.22Å; Q70-F72 HydrophobicContact CB-CZ 3.69Å
71	F	95.9	Very high	93.7	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.9	163.3	69	-71.4	0	0	0	111.4	C14 I16 I21 W27 W29 I44 T63 R64 C88	C14-F71 HydrophobicContact CB-CD1 3.87Å; C14-F71 HydrophobicContact CB-CE1 3.49Å; C14-F71 VanDerWaalsContact CB-CE1 3.49Å; C14-F71 HydrophobicContact CB-CE2 4.37Å; C14-F71 HydrophobicContact CB-CG 4.48Å; C14-F71 HydrophobicContact CB-CZ 3.79Å; C14-F71 PolarHBondContact N-O 3.47Å; C14-F71 PolarHBondContact O-N 2.8Å; C14-F71 WeakPolarHBondContact SG-CE1 3.49Å; I16-F71 HydrophobicContact CD1-CD1 3.91Å; I16-F71 HydrophobicContact CD1-CE1 4.08Å; I16-F71 HydrophobicContact CG1-CD1 4.42Å; I16-F71 HydrophobicContact CG1-CE1 4.26Å; I21-F71 HydrophobicContact CD1-CB 3.91Å; I21-F71 HydrophobicContact CD1-CD1 4.2Å; I21-F71 HydrophobicContact CD1-CG 4.48Å; W27-F71 HydrophobicContact CB-CD1 4.07Å; W27-F71 HydrophobicContact CB-CD2 4.01Å; W27-F71 HydrophobicContact CB-CE1 3.89Å; W27-F71 HydrophobicContact CB-CE2 3.84Å; W27-F71 HydrophobicContact CB-CG 4.11Å; W27-F71 HydrophobicContact CB-CZ 3.74Å; W27-F71 HydrophobicContact CD2-CE1 4.28Å; W27-F71 AromaticContact CE3-CE1 3.99Å; W27-F71 HydrophobicContact CE3-CE1 3.99Å; W27-F71 HydrophobicContact CE3-CZ 4.4Å; W27-F71 HydrophobicContact CG-CD1 4.36Å; W27-F71 HydrophobicContact CG-CE1 4.27Å; W29-F71 AromaticContact CD1-CD2 3.87Å; W29-F71 AromaticContact CD1-CE2 3.65Å; W29-F71 HydrophobicContact CD2-CE2 4.32Å; W29-F71 AromaticContact CE2-CD2 3.97Å; W29-F71 AromaticContact CE2-CE2 3.71Å; W29-F71 HydrophobicContact CG-CE2 4.28Å; W29-F71 HydrophobicContact CZ2-CD2 4.44Å; W29-F71 HydrophobicContact CZ2-CE2 4.3Å; W29-F71 AromaticContact NE1-CD2 3.24Å; W29-F71 AromaticContact NE1-CE2 3.26Å; W29-F71 VanDerWaalsContact NE1-CE2 3.26Å; I44-F71 HydrophobicContact CG2-CB 4.3Å; I44-F71 HydrophobicContact CG2-CD2 4.32Å; T63-F71 CarbonylContact O-C 3.6Å; T63-F71 VanDerWaalsContact O-CA 3.26Å; T63-F71 WeakPolarHBondContact O-CA 3.34Å; T63-F71 VanDerWaalsContact O-CB 3.3Å; T63-F71 WeakPolarHBondContact O-CB 3.16Å; R64-F71 HydrophobicContact CB-CB 4.1Å; F71-C88 HydrophobicContact CE1-CB 4.26Å; F71-C88 HydrophobicContact CE2-CB 4.22Å; F71-C88 HydrophobicContact CZ-CB 3.56Å
72	F	96.3	Very high	93.5	Very high	17 Å²	17	48.9 Å²	48.9	8%	0.075	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.3	-165.2	-47	-84.2	0	0	0	110.9	F11 L12 T13 I62 T63 E65 Q70	F11-F72 HydrophobicContact CE1-CB 4.2Å; F11-F72 AromaticContact CE1-CD1 3.35Å; F11-F72 HydrophobicContact CE1-CD1 3.35Å; F11-F72 AromaticContact CE1-CE1 3.96Å; F11-F72 HydrophobicContact CE1-CE1 3.96Å; F11-F72 HydrophobicContact CE1-CG 4Å; F11-F72 HydrophobicContact CE2-CB 3.72Å; F11-F72 HydrophobicContact CE2-CD1 4.29Å; F11-F72 HydrophobicContact CE2-CG 4.11Å; F11-F72 HydrophobicContact CZ-CB 3.48Å; F11-F72 VanDerWaalsContact CZ-CB 3.48Å; F11-F72 AromaticContact CZ-CD1 3.21Å; F11-F72 HydrophobicContact CZ-CD1 3.21Å; F11-F72 HydrophobicContact CZ-CD2 4.25Å; F11-F72 AromaticContact CZ-CE1 3.95Å; F11-F72 HydrophobicContact CZ-CE1 3.95Å; F11-F72 AromaticContact CZ-CG 3.38Å; F11-F72 HydrophobicContact CZ-CG 3.38Å; L12-F72 CarbonylContact O-C 3.47Å; L12-F72 WeakPolarHBondContact O-CA 3.03Å; T13-F72 HydrophobicContact CG2-CD1 3.73Å; T13-F72 HydrophobicContact CG2-CE1 3.45Å; T13-F72 VanDerWaalsContact CG2-CE1 3.45Å; T13-F72 HydrophobicContact CG2-CZ 4.47Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.24Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.24Å; I62-F72 WeakPolarHBondContact CA-O 3.34Å; T63-F72 PolarHBondContact N-O 2.91Å; T63-F72 VanDerWaalsContact N-O 3.08Å; T63-F72 PolarHBondContact O-N 2.85Å; E65-F72 HydrophobicContact CB-CE2 3.62Å; E65-F72 HydrophobicContact CB-CZ 4.05Å; Q70-F72 HydrophobicContact CB-CE1 4.13Å; Q70-F72 HydrophobicContact CB-CE2 4.22Å; Q70-F72 HydrophobicContact CB-CZ 3.69Å
73	L	96.1	Very high	93.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.2	166.9	-175.6	71.5	0	0	0	108.1	F11 L12 W29 M41 V60 I62 L75 Y86	F11-L73 CarbonylContact C-O 3.54Å; F11-L73 WeakPolarHBondContact CA-O 3.16Å; L12-L73 HydrophobicContact CB-CB 4.25Å; L12-L73 HydrophobicContact CD1-CD2 4.19Å; L12-L73 PolarHBondContact N-O 2.92Å; L12-L73 PolarHBondContact O-N 3.08Å; W29-L73 HydrophobicContact CB-CD1 4.16Å; W29-L73 HydrophobicContact CB-CD2 4.43Å; W29-L73 HydrophobicContact CD2-CB 3.71Å; W29-L73 HydrophobicContact CD2-CD2 4.1Å; W29-L73 HydrophobicContact CD2-CG 4.34Å; W29-L73 VanDerWaalsContact CE2-CB 3.49Å; W29-L73 HydrophobicContact CE3-CB 4.29Å; W29-L73 HydrophobicContact CE3-CD2 4.15Å; W29-L73 HydrophobicContact CG-CB 3.96Å; W29-L73 HydrophobicContact CG-CD1 3.95Å; W29-L73 HydrophobicContact CG-CD2 4.22Å; W29-L73 HydrophobicContact CG-CG 4.29Å; W29-L73 HydrophobicContact CH2-CB 4.48Å; W29-L73 HydrophobicContact CZ2-CB 3.91Å; M41-L73 HydrophobicContact CE-CD2 4.17Å; M41-L73 HydrophobicContact SD-CD2 3.91Å; V60-L73 HydrophobicContact CG1-CD1 3.36Å; I62-L73 HydrophobicContact CD1-CD1 4.44Å; I62-L73 HydrophobicContact CG1-CD1 3.83Å; L73-L75 HydrophobicContact CD1-CD2 4.28Å; L73-L75 HydrophobicContact CD2-CD2 4.17Å; L73-L75 HydrophobicContact CD2-CG 4.26Å; L73-L75 HydrophobicContact CG-CD2 4.11Å; L73-L75 HydrophobicContact CG-CG 4.32Å; L73-Y86 HydrophobicContact CD2-CD1 3.85Å; L73-Y86 HydrophobicContact CD2-CE1 4.08Å
74	Q	94.8	Very high	93.4	Very high	65 Å²	65	47.7 Å²	47.7	30%	0.304	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.5	168.6	-178.1	178.3	-1.8	0	0	108.9	L10 F11 V60 S61 N76	L10-Q74 WeakPolarHBondContact O-CA 3.35Å; F11-Q74 HydrophobicContact CD2-CB 4.19Å; V60-Q74 WeakPolarHBondContact CA-O 3.28Å; S61-Q74 PolarHBondContact N-O 2.87Å; S61-Q74 PolarHBondContact O-N 2.88Å; Q74-N76 PolarHBondContact NE2-OD1 2.78Å
75	L	92.6	Very high	93.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.7	167.4	-52.9	179.4	0	0	0	107.9	S9 L10 M41 V60 L73 V78 Y86	S9-L75 CarbonylContact C-O 3.53Å; S9-L75 VanDerWaalsContact CA-O 3.24Å; S9-L75 WeakPolarHBondContact CA-O 3.26Å; L10-L75 HydrophobicContact CB-CB 4.27Å; L10-L75 HydrophobicContact CD2-CD1 3.82Å; L10-L75 HydrophobicContact CD2-CG 4.39Å; L10-L75 PolarHBondContact N-O 3.38Å; L10-L75 PolarHBondContact O-N 2.89Å; M41-L75 HydrophobicContact CE-CD1 4.29Å; M41-L75 HydrophobicContact CE-CD2 3.68Å; V60-L75 HydrophobicContact CB-CD2 4.09Å; V60-L75 HydrophobicContact CG1-CD2 3.99Å; V60-L75 HydrophobicContact CG2-CD2 3.34Å; L73-L75 HydrophobicContact CD1-CD2 4.28Å; L73-L75 HydrophobicContact CD2-CD2 4.17Å; L73-L75 HydrophobicContact CD2-CG 4.26Å; L73-L75 HydrophobicContact CG-CD2 4.11Å; L73-L75 HydrophobicContact CG-CG 4.32Å; L75-V78 HydrophobicContact CB-CG1 3.71Å; L75-V78 HydrophobicContact CD1-CG1 4.46Å; L75-Y86 HydrophobicContact CD1-CE1 3.84Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.43Å
76	N	90.1	Very high	93.5	Very high	47 Å²	47	44.5 Å²	44.5	25%	0.251	25%	0.247	S	C	.	.	S	Bend	trans	-103.4	145.1	175.7	-64.6	-44.8	0	0	0	110.3	S9 P59 Q74	S9-N76 PolarHBondContact OG-OD1 2.77Å; P59-N76 HydrophobicContact CB-CB 4.43Å; P59-N76 PolarHBondContact O-N 3.01Å; Q74-N76 PolarHBondContact NE2-OD1 2.78Å
77	S	89.9	Confident	93.6	Very high	73 Å²	73	43.1 Å²	43.1	51%	0.51	23%	0.234	S	C	.	.	S	Bend	trans	55.6	51.6	178	-55.2	0	0	0	0	113	Q8	Q8-S77 PolarHBondContact O-N 2.86Å
78	V	91.6	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.			trans	-60.9	147.2	-175	-59.9	0	0	0	0	112.3	V4 P6 S7 Q8 L10 L75 D82 V109	V4-V78 HydrophobicContact CG1-CG2 3.85Å; P6-V78 CarbonylContact C-O 3.6Å; P6-V78 WeakPolarHBondContact CA-O 3.48Å; S7-V78 PolarHBondContact N-O 2.81Å; Q8-V78 WeakPolarHBondContact O-CG2 3.3Å; Q8-V78 PolarHBondContact O-N 2.86Å; L10-V78 HydrophobicContact CB-CG1 3.81Å; L75-V78 HydrophobicContact CB-CG1 3.71Å; L75-V78 HydrophobicContact CD1-CG1 4.46Å; V78-D82 WeakPolarHBondContact CA-OD2 3.46Å; V78-D82 HydrophobicContact CB-CB 4.29Å; V78-V109 HydrophobicContact CB-CG2 4.24Å; V78-V109 HydrophobicContact CG2-CG1 3.95Å; V78-V109 HydrophobicContact CG2-CG2 3.93Å
79	T	91.4	Very high	93.6	Very high	55 Å²	55	33.5 Å²	33.5	34%	0.337	18%	0.181	S	C	.	.			trans	-116.1	171	177.6	68	0	0	0	0	110.8	E81 D82 V109	T79-E81 PolarHBondContact O-N 3.05Å; T79-E81 PolarHBondContact OG1-N 2.92Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.11Å; T79-D82 PolarHBondContact O-N 3.39Å; T79-V109 VanDerWaalsContact O-CB 3.28Å; T79-V109 WeakPolarHBondContact O-CB 3.42Å; T79-V109 WeakPolarHBondContact O-CG1 3.35Å
80	T	90.5	Very high	93.5	Very high	88 Å²	88	31.9 Å²	31.9	54%	0.54	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-58.3	-26.6	174	48.8	0	0	0	0	112.4	D82 T83	T80-D82 PolarHBondContact O-N 3.26Å; T80-T83 VanDerWaalsContact O-CB 3.26Å; T80-T83 WeakPolarHBondContact O-CB 3.27Å; T80-T83 PolarHBondContact O-N 2.86Å; T80-T83 VanDerWaalsContact O-N 3.17Å; T80-T83 PolarHBondContact O-OG1 2.85Å
81	E	88.8	Confident	93.1	Very high	114 Å²	114	31.7 Å²	31.7	53%	0.533	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-67.3	-21.7	175.4	-56.9	-171.2	177.2	0	0	113.2	Q57 T79 T83	Q57-E81 PolarHBondContact NE2-OE2 2.97Å; T79-E81 PolarHBondContact O-N 3.05Å; T79-E81 PolarHBondContact OG1-N 2.92Å; E81-T83 PolarHBondContact O-N 2.97Å
82	D	91.1	Very high	92.6	Very high	4 Å²	4	36 Å²	36	2%	0.021	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-78.9	2.5	175.2	-63.6	-48.8	0	0	0	112.6	R31 S58 V78 T79 T80 A84 Y86 V109	R31-D82 IonicContact NH1-OD1 2.77Å; R31-D82 PolarHBondContact NH1-OD1 3.36Å; S58-D82 PolarHBondContact OG-OD1 2.78Å; S58-D82 PolarHBondContact OG-OD2 3.06Å; V78-D82 WeakPolarHBondContact CA-OD2 3.46Å; V78-D82 HydrophobicContact CB-CB 4.29Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.11Å; T79-D82 PolarHBondContact O-N 3.39Å; T80-D82 PolarHBondContact O-N 3.26Å; D82-A84 PolarHBondContact O-N 2.94Å; D82-A84 VanDerWaalsContact O-N 3.16Å; D82-Y86 WeakPolarHBondContact O-CE2 3.47Å; D82-Y86 PolarHBondContact O-OH 2.75Å; D82-V109 HydrophobicContact CB-CG2 4.36Å
83	T	93.9	Very high	91.4	Very high	35 Å²	35	42.3 Å²	42.3	22%	0.215	21%	0.214	C	C	.	.			trans	-66.8	109.9	169.4	-63.4	0	0	0	0	110.2	P34 T80 E81 V107 T108 V109	P34-T83 WeakPolarHBondContact CD-O 3.32Å; T80-T83 VanDerWaalsContact O-CB 3.26Å; T80-T83 WeakPolarHBondContact O-CB 3.27Å; T80-T83 PolarHBondContact O-N 2.86Å; T80-T83 VanDerWaalsContact O-N 3.17Å; T80-T83 PolarHBondContact O-OG1 2.85Å; E81-T83 PolarHBondContact O-N 2.97Å; T83-V107 WeakPolarHBondContact CA-O 3.36Å; T83-T108 HydrophobicContact CG2-CG2 4.38Å; T83-V109 PolarHBondContact OG1-N 3.34Å; T83-V109 PolarHBondContact OG1-O 3.2Å
84	A	94.9	Very high	90.2	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	167.1	-175.2	0	0	0	0	0	111.4	R31 Q32 D82 Y86 V107	R31-A84 HydrophobicContact CB-CB 4.08Å; Q32-A84 WeakPolarHBondContact O-CA 3.28Å; Q32-A84 WeakPolarHBondContact O-CB 3.33Å; D82-A84 PolarHBondContact O-N 2.94Å; D82-A84 VanDerWaalsContact O-N 3.16Å; A84-Y86 HydrophobicContact CB-CD2 4.29Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-Y86 WeakPolarHBondContact O-CD2 3.37Å; A84-V107 PolarHBondContact N-O 3.09Å; A84-V107 VanDerWaalsContact N-O 3.14Å; A84-V107 PolarHBondContact O-N 3.34Å
85	M	96.3	Very high	88.6	Confident	58 Å²	58	48.6 Å²	48.6	29%	0.286	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128.2	158.4	-166.6	75	72.9	0	0	108.9	R31 Q32 Y87 T105 T106	R31-M85 CarbonylContact C-O 3.45Å; R31-M85 VanDerWaalsContact CA-O 3.26Å; R31-M85 WeakPolarHBondContact CA-O 3.11Å; Q32-M85 HydrophobicContact CB-CB 4.47Å; Q32-M85 PolarHBondContact N-O 3.02Å; Q32-M85 PolarHBondContact O-N 3.25Å; M85-Y87 HydrophobicContact CB-CE2 3.75Å; M85-Y87 HydrophobicContact CG-CD2 4.3Å; M85-Y87 HydrophobicContact CG-CE1 3.89Å; M85-Y87 HydrophobicContact CG-CE2 3.52Å; M85-Y87 WeakPolarHBondContact CG-OH 3.42Å; M85-T105 CarbonylContact C-O 3.6Å; M85-T105 WeakPolarHBondContact CA-O 3.46Å; M85-T106 WeakPolarHBondContact CE-OG1 3.39Å; M85-T106 PolarHBondContact SD-N 3.19Å; M85-T106 PolarHBondContact SD-OG1 2.77Å
86	Y	96.1	Very high	87	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.1	179.2	-70.7	-97.8	0	0	0	109.9	L10 L12 I30 R31 M41 L73 L75 D82 A84 G104 T105 V107	L10-Y86 HydrophobicContact CD2-CE2 4.49Å; L12-Y86 VanDerWaalsContact CD1-CB 3.45Å; L12-Y86 HydrophobicContact CD1-CD1 3.76Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.49Å; L12-Y86 VanDerWaalsContact CD1-CG 3.49Å; I30-Y86 CarbonylContact O-C 3.55Å; R31-Y86 HydrophobicContact CB-CD1 3.86Å; R31-Y86 HydrophobicContact CB-CE1 3.8Å; R31-Y86 HydrophobicContact CB-CG 4.4Å; M41-Y86 HydrophobicContact CE-CE1 4.01Å; M41-Y86 HydrophobicContact SD-CD1 3.86Å; M41-Y86 HydrophobicContact SD-CE1 3.64Å; L73-Y86 HydrophobicContact CD2-CD1 3.85Å; L73-Y86 HydrophobicContact CD2-CE1 4.08Å; L75-Y86 HydrophobicContact CD1-CE1 3.84Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.43Å; D82-Y86 WeakPolarHBondContact O-CE2 3.47Å; D82-Y86 PolarHBondContact O-OH 2.75Å; A84-Y86 HydrophobicContact CB-CD2 4.29Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-Y86 WeakPolarHBondContact O-CD2 3.37Å; Y86-G104 CarbonylContact O-C 3.6Å; Y86-G104 WeakPolarHBondContact O-CA 3.48Å; Y86-T105 PolarHBondContact N-O 3.38Å; Y86-T105 PolarHBondContact O-N 3.28Å; Y86-V107 HydrophobicContact CD2-CB 3.9Å; Y86-V107 HydrophobicContact CD2-CG2 3.72Å; Y86-V107 HydrophobicContact CE2-CB 3.76Å; Y86-V107 HydrophobicContact CE2-CG1 4.47Å; Y86-V107 HydrophobicContact CE2-CG2 4.02Å
87	Y	96.1	Very high	85.6	Confident	44 Å²	44	64.8 Å²	64.8	17%	0.173	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.2	-179.9	-56.2	-88.9	0	0	0	109.6	W29 I30 Q32 L38 M85 W101 G104	W29-Y87 VanDerWaalsContact CE3-O 3.28Å; I30-Y87 PolarHBondContact N-O 2.89Å; I30-Y87 PolarHBondContact O-N 2.6Å; Q32-Y87 HydrophobicContact CB-CE2 3.95Å; L38-Y87 HydrophobicContact CD2-CD2 4.36Å; L38-Y87 HydrophobicContact CD2-CE2 4.19Å; M85-Y87 HydrophobicContact CB-CE2 3.75Å; M85-Y87 HydrophobicContact CG-CD2 4.3Å; M85-Y87 HydrophobicContact CG-CE1 3.89Å; M85-Y87 HydrophobicContact CG-CE2 3.52Å; M85-Y87 WeakPolarHBondContact CG-OH 3.42Å; Y87-W101 HydrophobicContact CG-CZ3 4.36Å; Y87-G104 VanDerWaalsContact CD1-CA 3.42Å
88	C	95.2	Very high	84.4	Confident	17 Å²	17	65.5 Å²	65.5	12%	0.115	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.5	161.5	56.7	0	0	0	0	109.7	C14 I28 W29 F71 G102	C14-C88 HydrophobicContact CB-CB 3.4Å; C14-C88 WeakPolarHBondContact CB-SG 3.29Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.11Å; I28-C88 CarbonylContact O-C 3.56Å; I28-C88 VanDerWaalsContact O-CA 3.3Å; I28-C88 WeakPolarHBondContact O-CA 3.5Å; W29-C88 HydrophobicContact CE3-CB 4.3Å; W29-C88 HydrophobicContact CH2-CB 4.25Å; W29-C88 HydrophobicContact CZ2-CB 4.5Å; W29-C88 HydrophobicContact CZ3-CB 4.15Å; F71-C88 HydrophobicContact CE1-CB 4.26Å; F71-C88 HydrophobicContact CE2-CB 4.22Å; F71-C88 HydrophobicContact CZ-CB 3.56Å; C88-G102 PolarHBondContact O-N 3.17Å
89	A	94.2	Very high	83.5	Confident	3 Å²	3	68.2 Å²	68.2	3%	0.025	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.3	176.9	0	0	0	0	0	111.2	I28 I30 F98 V100 W101	I28-A89 HydrophobicContact CB-CB 4.44Å; I28-A89 PolarHBondContact N-O 2.79Å; I28-A89 PolarHBondContact O-N 3.06Å; I30-A89 HydrophobicContact CD1-CB 4.14Å; A89-F98 HydrophobicContact CB-CD1 3.74Å; A89-F98 HydrophobicContact CB-CE1 4.15Å; A89-V100 CarbonylContact C-O 3.6Å; A89-V100 WeakPolarHBondContact CA-O 3.26Å; A89-V100 WeakPolarHBondContact CB-O 3.42Å; A89-W101 HydrophobicContact CB-CD2 4.15Å; A89-W101 HydrophobicContact CB-CE3 4.42Å; A89-W101 HydrophobicContact CB-CG 4.5Å
90	G	91.6	Very high	83.1	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.6	174	0	0	0	0	0	110.6	Y26 F98 D99 V100	Y26-G90 WeakPolarHBondContact O-CA 3.49Å; G90-F98 CarbonylContact O-C 3.42Å; G90-F98 WeakPolarHBondContact O-CA 3.42Å; G90-D99 PolarHBondContact O-N 2.85Å; G90-V100 PolarHBondContact N-O 2.67Å; G90-V100 PolarHBondContact O-N 3.05Å
91	D	88.6	Confident	83.2	Confident	38 Å²	38	69.3 Å²	69.3	20%	0.203	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	116.6	176.8	178	19.7	0	0	0	109.6	Y25 Y26 I28 F98	Y25-D91 CarbonylContact C-O 3.43Å; Y25-D91 WeakPolarHBondContact CA-O 3.47Å; Y26-D91 PolarHBondContact N-O 3.17Å; Y26-D91 PolarHBondContact O-N 2.81Å; I28-D91 HydrophobicContact CD1-CB 3.62Å; D91-F98 HydrophobicContact CB-CD1 4.22Å
92	Y	85.1	Confident	83.3	Confident	92 Å²	92	65 Å²	65	36%	0.361	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.4	-176.8	-172.9	-89.8	0	0	0	111.6	Y25 G94 Y95 D99	Y25-Y92 HydrophobicContact CD1-CD2 4.26Å; Y25-Y92 AromaticContact CD2-CD2 3.93Å; Y25-Y92 HydrophobicContact CD2-CD2 3.93Å; Y25-Y92 AromaticContact CE1-CD2 3.91Å; Y25-Y92 HydrophobicContact CE1-CD2 3.91Å; Y25-Y92 HydrophobicContact CE1-CG 4.26Å; Y25-Y92 AromaticContact CE2-CD2 3.54Å; Y25-Y92 HydrophobicContact CE2-CD2 3.54Å; Y25-Y92 HydrophobicContact CE2-CE2 4.17Å; Y25-Y92 HydrophobicContact CG-CD2 4.27Å; Y25-Y92 AromaticContact CZ-CD2 3.54Å; Y92-G94 PolarHBondContact O-N 2.98Å; Y92-Y95 AromaticContact CD1-CD2 3.37Å; Y92-Y95 HydrophobicContact CD1-CD2 3.37Å; Y92-Y95 AromaticContact CD1-CE2 3.63Å; Y92-Y95 HydrophobicContact CD1-CE2 3.63Å; Y92-Y95 HydrophobicContact CE1-CD2 4.14Å; Y92-Y95 AromaticContact CE1-CE2 3.93Å; Y92-Y95 HydrophobicContact CE1-CE2 3.93Å; Y92-Y95 HydrophobicContact CG-CD2 4.04Å; Y92-Y95 HydrophobicContact CG-CE2 4.47Å; Y92-Y95 PolarHBondContact O-N 3.27Å; Y92-D99 WeakPolarHBondContact CB-OD2 3.3Å; Y92-D99 PolarHBondContact N-OD2 3Å
93	Y	71.7	Confident	83.3	Confident	150 Å²	150	71.8 Å²	71.8	59%	0.588	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	110.6	178.8	-174.6	-104.5	0	0	0	111.8	G24 Y26	G24-Y93 WeakPolarHBondContact O-CB 3.32Å; G24-Y93 PolarHBondContact O-N 3.22Å; Y26-Y93 AromaticContact CE2-CD2 3.81Å; Y26-Y93 HydrophobicContact CE2-CD2 3.81Å; Y26-Y93 AromaticContact CZ-CD2 3.7Å; Y26-Y93 WeakPolarHBondContact OH-CD2 3.13Å; Y26-Y93 VanDerWaalsContact OH-CE2 3.27Å; Y26-Y93 WeakPolarHBondContact OH-CE2 3.49Å
94	G	69	Low	83.3	Confident	63 Å²	63	71.1 Å²	71.1	65%	0.649	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.4	-4.4	179.2	0	0	0	0	0	115.2	Y92	Y92-G94 PolarHBondContact O-N 2.98Å
95	Y	63	Low	83.3	Confident	134 Å²	134	73 Å²	73	53%	0.525	36%	0.356	S	S	.	.			trans	-105	160.3	165.7	-67.1	-73.6	0	0	0	110.7	Y92 Y97	Y92-Y95 AromaticContact CD1-CD2 3.37Å; Y92-Y95 HydrophobicContact CD1-CD2 3.37Å; Y92-Y95 AromaticContact CD1-CE2 3.63Å; Y92-Y95 HydrophobicContact CD1-CE2 3.63Å; Y92-Y95 HydrophobicContact CE1-CD2 4.14Å; Y92-Y95 AromaticContact CE1-CE2 3.93Å; Y92-Y95 HydrophobicContact CE1-CE2 3.93Å; Y92-Y95 HydrophobicContact CG-CD2 4.04Å; Y92-Y95 HydrophobicContact CG-CE2 4.47Å; Y92-Y95 PolarHBondContact O-N 3.27Å; Y95-Y97 HydrophobicContact CD1-CE1 4.23Å; Y95-Y97 HydrophobicContact CG-CE1 4.46Å
96	W	58.6	Low	83.2	Confident	254 Å²	254	73.9 Å²	73.9	96%	0.962	37%	0.365	S	S	*	.	S	Bend	trans	-106.6	17.2	-172	-62.3	95.7	0	0	0	113.2
97	Y	59.9	Low	83.1	Confident	133 Å²	133	73.8 Å²	73.8	52%	0.522	37%	0.365	S	S	.	.	S	Bend	trans	-145.7	148.5	-176.2	61.2	-88.5	0	0	0	111.5	Y95 D99	Y95-Y97 HydrophobicContact CD1-CE1 4.23Å; Y95-Y97 HydrophobicContact CG-CE1 4.46Å; Y97-D99 WeakPolarHBondContact CE2-OD1 3.25Å; Y97-D99 VanDerWaalsContact CZ-OD1 3.28Å; Y97-D99 PolarHBondContact O-N 2.71Å; Y97-D99 VanDerWaalsContact O-N 3.09Å; Y97-D99 PolarHBondContact OH-OD1 2.92Å
98	F	65.4	Low	83	Confident	88 Å²	88	74.5 Å²	74.5	39%	0.386	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	106.6	174.1	-64.4	-84.7	0	0	0	110.3	I28 I30 A89 G90 D91 V100 W101	I28-F98 HydrophobicContact CB-CE1 4.3Å; I28-F98 HydrophobicContact CD1-CD1 3.85Å; I28-F98 HydrophobicContact CD1-CE1 3.31Å; I28-F98 HydrophobicContact CD1-CZ 4.32Å; I28-F98 HydrophobicContact CG1-CE1 4.33Å; I28-F98 HydrophobicContact CG2-CE1 4.17Å; I30-F98 HydrophobicContact CD1-CE1 4.18Å; I30-F98 HydrophobicContact CD1-CZ 4.19Å; A89-F98 HydrophobicContact CB-CD1 3.74Å; A89-F98 HydrophobicContact CB-CE1 4.15Å; G90-F98 CarbonylContact O-C 3.42Å; G90-F98 WeakPolarHBondContact O-CA 3.42Å; D91-F98 HydrophobicContact CB-CD1 4.22Å; F98-V100 VanDerWaalsContact C-N 3.33Å; F98-W101 HydrophobicContact CB-CZ2 4.26Å; F98-W101 AromaticContact CD2-CZ2 3.9Å; F98-W101 HydrophobicContact CD2-CZ2 3.9Å; F98-W101 HydrophobicContact CE2-CZ2 4.36Å; F98-W101 HydrophobicContact CG-CZ2 4.03Å; F98-W101 AromaticContact CG-NE1 3.87Å
99	D	73.2	Confident	82.7	Confident	57 Å²	57	74 Å²	74	31%	0.305	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-26.4	-179.8	-66.2	-65.5	0	0	0	112.9	Y25 G90 Y92 Y97	Y25-D99 HydrophobicContact CE1-CB 4.3Å; G90-D99 PolarHBondContact O-N 2.85Å; Y92-D99 WeakPolarHBondContact CB-OD2 3.3Å; Y92-D99 PolarHBondContact N-OD2 3Å; Y97-D99 WeakPolarHBondContact CE2-OD1 3.25Å; Y97-D99 VanDerWaalsContact CZ-OD1 3.28Å; Y97-D99 PolarHBondContact O-N 2.71Å; Y97-D99 VanDerWaalsContact O-N 3.09Å; Y97-D99 PolarHBondContact OH-OD1 2.92Å
100	V	82.7	Confident	82.4	Confident	53 Å²	53	76 Å²	76	32%	0.321	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.7	-170.9	-176.7	0	0	0	0	110.7	F19 A89 G90 F98	F19-V100 HydrophobicContact CE1-CG2 4.42Å; F19-V100 HydrophobicContact CZ-CG2 4.12Å; A89-V100 CarbonylContact C-O 3.6Å; A89-V100 WeakPolarHBondContact CA-O 3.26Å; A89-V100 WeakPolarHBondContact CB-O 3.42Å; G90-V100 PolarHBondContact N-O 2.67Å; G90-V100 PolarHBondContact O-N 3.05Å; F98-V100 VanDerWaalsContact C-N 3.33Å
101	W	91.1	Very high	81.7	Confident	113 Å²	113	82.9 Å²	82.9	43%	0.428	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.9	173.2	-76.6	76.1	0	0	0	111.1	I30 L38 Y87 A89 F98	I30-W101 HydrophobicContact CD1-CH2 3.36Å; I30-W101 HydrophobicContact CD1-CZ2 4.02Å; I30-W101 HydrophobicContact CD1-CZ3 3.82Å; L38-W101 HydrophobicContact CD1-CH2 3.88Å; L38-W101 HydrophobicContact CD1-CZ3 4.37Å; Y87-W101 HydrophobicContact CG-CZ3 4.36Å; A89-W101 HydrophobicContact CB-CD2 4.15Å; A89-W101 HydrophobicContact CB-CE3 4.42Å; A89-W101 HydrophobicContact CB-CG 4.5Å; F98-W101 HydrophobicContact CB-CZ2 4.26Å; F98-W101 AromaticContact CD2-CZ2 3.9Å; F98-W101 HydrophobicContact CD2-CZ2 3.9Å; F98-W101 HydrophobicContact CE2-CZ2 4.36Å; F98-W101 HydrophobicContact CG-CZ2 4.03Å; F98-W101 AromaticContact CG-NE1 3.87Å
102	G	91.4	Very high	81.4	Confident	24 Å²	24	85.2 Å²	85.2	25%	0.247	44%	0.443	C	S	.	.			trans	-75.9	157.2	165.2	0	0	0	0	0	111.5	C88 G104	C88-G102 PolarHBondContact O-N 3.17Å; G102-G104 PolarHBondContact O-N 3.14Å; G102-G104 VanDerWaalsContact O-N 3.09Å
103	T	91.5	Very high	81.2	Confident	147 Å²	147	84.8 Å²	84.8	90%	0.902	45%	0.448	S	S	*	.			trans	-65.4	-13.1	179.5	54.8	0	0	0	0	114
104	G	93.1	Very high	81.7	Confident	20 Å²	20	81.2 Å²	81.2	21%	0.206	44%	0.44	C	S	.	.			trans	86.1	160.6	-176.6	0	0	0	0	0	113.2	Y86 Y87 G102	Y86-G104 CarbonylContact O-C 3.6Å; Y86-G104 WeakPolarHBondContact O-CA 3.48Å; Y87-G104 VanDerWaalsContact CD1-CA 3.42Å; G102-G104 PolarHBondContact O-N 3.14Å; G102-G104 VanDerWaalsContact O-N 3.09Å
105	T	94.8	Very high	82.5	Confident	42 Å²	42	82.2 Å²	82.2	26%	0.258	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	127.9	176.8	-114.5	0	0	0	0	109.8	P1 L12 M85 Y86 V107	P1-T105 HydrophobicContact CB-CG2 3.42Å; P1-T105 VanDerWaalsContact CB-CG2 3.42Å; P1-T105 HydrophobicContact CG-CG2 3.99Å; P1-T105 WeakPolarHBondContact CG-OG1 3.47Å; L12-T105 HydrophobicContact CD1-CG2 4.46Å; L12-T105 HydrophobicContact CD2-CG2 3.81Å; M85-T105 CarbonylContact C-O 3.6Å; M85-T105 WeakPolarHBondContact CA-O 3.46Å; Y86-T105 PolarHBondContact N-O 3.38Å; Y86-T105 PolarHBondContact O-N 3.28Å; T105-V107 HydrophobicContact CG2-CG2 3.88Å
106	T	95.1	Very high	83.7	Confident	78 Å²	78	79 Å²	79	48%	0.479	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.3	176.8	-46.5	0	0	0	0	109.4	M85	M85-T106 WeakPolarHBondContact CE-OG1 3.39Å; M85-T106 PolarHBondContact SD-N 3.19Å; M85-T106 PolarHBondContact SD-OG1 2.77Å
107	V	94	Very high	85.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130	172.1	178.5	0	0	0	0	108.2	V4 L10 L12 T83 A84 Y86 T105 V109	V4-V107 HydrophobicContact CG2-CG1 4.5Å; L10-V107 HydrophobicContact CD1-CG1 3.89Å; L10-V107 HydrophobicContact CD1-CG2 4.13Å; L10-V107 HydrophobicContact CD2-CB 4.43Å; L10-V107 HydrophobicContact CD2-CG1 3.89Å; L10-V107 HydrophobicContact CD2-CG2 4.09Å; L12-V107 HydrophobicContact CD1-CG2 4.48Å; L12-V107 HydrophobicContact CD2-CG2 4.07Å; T83-V107 WeakPolarHBondContact CA-O 3.36Å; A84-V107 PolarHBondContact N-O 3.09Å; A84-V107 VanDerWaalsContact N-O 3.14Å; A84-V107 PolarHBondContact O-N 3.34Å; Y86-V107 HydrophobicContact CD2-CB 3.9Å; Y86-V107 HydrophobicContact CD2-CG2 3.72Å; Y86-V107 HydrophobicContact CE2-CB 3.76Å; Y86-V107 HydrophobicContact CE2-CG1 4.47Å; Y86-V107 HydrophobicContact CE2-CG2 4.02Å; T105-V107 HydrophobicContact CG2-CG2 3.88Å; V107-V109 HydrophobicContact CG1-CG2 4.4Å
108	T	93.4	Very high	87.2	Confident	59 Å²	59	62.6 Å²	62.6	36%	0.362	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.8	176.8	-53.8	0	0	0	0	108.6	L3 V4 T83	L3-T108 WeakPolarHBondContact CA-O 3.32Å; L3-T108 HydrophobicContact CD1-CG2 3.84Å; V4-T108 PolarHBondContact N-O 2.7Å; T83-T108 HydrophobicContact CG2-CG2 4.38Å
109	V	90.3	Very high	88.9	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.03	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.2	174	-174.8	0	0	0	0	108.4	V4 P6 V78 T79 D82 T83 V107	V4-V109 VanDerWaalsContact O-CA 3.27Å; V4-V109 WeakPolarHBondContact O-CA 3.29Å; P6-V109 HydrophobicContact CG-CG1 4.17Å; V78-V109 HydrophobicContact CB-CG2 4.24Å; V78-V109 HydrophobicContact CG2-CG1 3.95Å; V78-V109 HydrophobicContact CG2-CG2 3.93Å; T79-V109 VanDerWaalsContact O-CB 3.28Å; T79-V109 WeakPolarHBondContact O-CB 3.42Å; T79-V109 WeakPolarHBondContact O-CG1 3.35Å; D82-V109 HydrophobicContact CB-CG2 4.36Å; T83-V109 PolarHBondContact OG1-N 3.34Å; T83-V109 PolarHBondContact OG1-O 3.2Å; V107-V109 HydrophobicContact CG1-CG2 4.4Å
110	S	87.7	Confident	90.2	Very high	45 Å²	45	61 Å²	61	32%	0.315	38%	0.381	S	S	.	.			trans	-144.9	151.6	178.4	73.5	0	0	0	0	111.8	L3 V4 P6	L3-S110 VanDerWaalsContact CD1-OG 3.24Å; L3-S110 WeakPolarHBondContact CD1-OG 3.4Å; V4-S110 PolarHBondContact O-N 2.85Å; V4-S110 VanDerWaalsContact O-N 3.14Å; P6-S110 WeakPolarHBondContact CD-O 3.09Å
111	S	76.8	Confident	90.8	Very high	146 Å²	146	61.7 Å²	61.7	100%	1.021	39%	0.386	S	S	*	.			trans	-73.4	0	175.2	58.7	0	0	0	0	112.7

Retrieved 111 of 111 residues in 32.6 ms (Link to these results)

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