A0A087WXD0_HUMAN Loading...

5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase

AlphaFold DB , UniProt , Accession A0A087WXD0, Species HUMAN (Homo sapiens, Human), Gene DCP1A, Length 102 aa.

						>A0A087WXD0_HUMAN|A0A087WXD0|DCP1A
MEALSRAGQEMSLAALKQHDPYITSIADLTGQVALYTFCPKANQWEKTDIEGTLFVYRRSASPYHGFTIVNRLNMHNLVEPVNKDLEFQLHEPFLLYRNASC
					

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(Predicted Aligned Error values between residue pairs)

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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	M	43.3	Very low	68.9	Low	217 Å²	217	112.1 Å²	112.1	100%	1.069	59%	0.587	S	S	*	*				0	96.6	0	-160.4	176.6	-77.9	0	0	106	A3	M1-A3 PolarHBondContact O-N 3.16Å
2	E	45.8	Very low	70.6	Confident	187 Å²	187	104.8 Å²	104.8	87%	0.874	55%	0.553	S	S	*	*			trans	-70.8	98.1	179.6	-79.8	177.1	131.9	0	0	108.4	L4	E2-L4 PolarHBondContact O-N 3.31Å
3	A	53.5	Low	72.2	Confident	91 Å²	91	99.6 Å²	99.6	75%	0.752	53%	0.525	S	S	*	.			trans	-67.8	112.5	168.8	0	0	0	0	0	107.6	M1 S5	M1-A3 PolarHBondContact O-N 3.16Å; A3-S5 PolarHBondContact O-N 3.47Å
4	L	58.7	Low	73.5	Confident	76 Å²	76	96.9 Å²	96.9	40%	0.398	52%	0.524	S	S	.	.			trans	-52	142.4	164.6	-78.7	172.2	0	0	0	108.3	E2 Q9 L29	E2-L4 PolarHBondContact O-N 3.31Å; L4-Q9 HydrophobicContact CB-CG 4.13Å; L4-L29 HydrophobicContact CD1-CD1 3.84Å; L4-L29 HydrophobicContact CD1-CD2 3.67Å; L4-L29 HydrophobicContact CD1-CG 4.43Å; L4-L29 HydrophobicContact CG-CD1 4.24Å; L4-L29 HydrophobicContact CG-CD2 4.34Å
5	S	72.1	Confident	74.6	Confident	79 Å²	79	93.7 Å²	93.7	55%	0.552	52%	0.516	S	S	*	.			trans	-51.9	149.5	171.3	69	0	0	0	0	109.2	A3 A7 G8 Q9	A3-S5 PolarHBondContact O-N 3.47Å; S5-A7 PolarHBondContact O-N 2.86Å; S5-G8 WeakPolarHBondContact O-CA 3.4Å; S5-G8 PolarHBondContact O-N 3.24Å; S5-G8 PolarHBondContact OG-N 3.43Å; S5-Q9 PolarHBondContact O-N 2.97Å; S5-Q9 VanDerWaalsContact O-N 3.16Å
6	R	72.6	Confident	75.7	Confident	196 Å²	196	88.8 Å²	88.8	74%	0.74	49%	0.489	S	S	*	.	H	α-helix	trans	-48.6	-37.1	178.8	-176	177.7	169.7	-179.6	4.1	112.4	Q9 E10	R6-Q9 PolarHBondContact O-N 2.89Å; R6-E10 IonicContact NE-OE1 3.32Å; R6-E10 PolarHBondContact NE-OE1 3.11Å; R6-E10 WeakPolarHBondContact O-CG 3.36Å; R6-E10 PolarHBondContact O-N 3.12Å
7	A	75.8	Confident	76.6	Confident	52 Å²	52	88.8 Å²	88.8	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-40.4	173.8	0	0	0	0	0	113.3	S5 E10 M11	S5-A7 PolarHBondContact O-N 2.86Å; A7-E10 PolarHBondContact O-N 3.42Å; A7-M11 WeakPolarHBondContact O-CG 3.46Å; A7-M11 PolarHBondContact O-N 3.4Å
8	G	80.8	Confident	77.4	Confident	8 Å²	8	93.3 Å²	93.3	8%	0.082	50%	0.5	C	S	.	.	H	α-helix	trans	-61	-43.7	174.8	0	0	0	0	0	112.5	S5 M11 S12	S5-G8 WeakPolarHBondContact O-CA 3.4Å; S5-G8 PolarHBondContact O-N 3.24Å; S5-G8 PolarHBondContact OG-N 3.43Å; G8-M11 PolarHBondContact O-N 3.07Å; G8-S12 PolarHBondContact O-N 3.34Å; G8-S12 PolarHBondContact O-OG 2.94Å; G8-S12 VanDerWaalsContact O-OG 3.09Å
9	Q	81.8	Confident	77.9	Confident	87 Å²	87	96.5 Å²	96.5	41%	0.407	51%	0.511	S	S	.	.	H	α-helix	trans	-65.3	-39.7	176	-66.7	-175.6	-36.9	0	0	112.3	L4 S5 R6 S12 L13	L4-Q9 HydrophobicContact CB-CG 4.13Å; S5-Q9 PolarHBondContact O-N 2.97Å; S5-Q9 VanDerWaalsContact O-N 3.16Å; R6-Q9 PolarHBondContact O-N 2.89Å; Q9-S12 PolarHBondContact O-N 3.2Å; Q9-L13 VanDerWaalsContact O-CB 3.23Å; Q9-L13 WeakPolarHBondContact O-CB 3.5Å; Q9-L13 PolarHBondContact O-N 3.11Å
10	E	85.3	Confident	78.5	Confident	107 Å²	107	93 Å²	93	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-65	-42.4	176.7	-74	169.6	-174.8	0	0	111.9	R6 A7 L13 A14	R6-E10 IonicContact NE-OE1 3.32Å; R6-E10 PolarHBondContact NE-OE1 3.11Å; R6-E10 WeakPolarHBondContact O-CG 3.36Å; R6-E10 PolarHBondContact O-N 3.12Å; A7-E10 PolarHBondContact O-N 3.42Å; E10-L13 PolarHBondContact O-N 3.35Å; E10-A14 WeakPolarHBondContact O-CB 3.36Å; E10-A14 PolarHBondContact O-N 2.87Å
11	M	88.4	Confident	79.2	Confident	133 Å²	133	93.3 Å²	93.3	66%	0.655	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-47.2	174.6	-71.9	-174.3	-62.8	0	0	111.9	A7 G8 L13 A14 A15	A7-M11 WeakPolarHBondContact O-CG 3.46Å; A7-M11 PolarHBondContact O-N 3.4Å; G8-M11 PolarHBondContact O-N 3.07Å; M11-L13 VanDerWaalsContact C-N 3.32Å; M11-L13 PolarHBondContact O-N 2.87Å; M11-A14 PolarHBondContact O-N 2.84Å; M11-A15 PolarHBondContact O-N 3.25Å
12	S	89.6	Confident	81.6	Confident	25 Å²	25	88.9 Å²	88.9	18%	0.175	47%	0.473	C	S	.	.	H	α-helix	trans	-61.5	-42.2	176.5	-62	0	0	0	0	111.5	G8 Q9 A14 A15 L16	G8-S12 PolarHBondContact O-N 3.34Å; G8-S12 PolarHBondContact O-OG 2.94Å; G8-S12 VanDerWaalsContact O-OG 3.09Å; Q9-S12 PolarHBondContact O-N 3.2Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 2.74Å; S12-A15 PolarHBondContact O-N 2.93Å; S12-L16 WeakPolarHBondContact O-CB 3.2Å; S12-L16 VanDerWaalsContact O-CG 3.29Å; S12-L16 WeakPolarHBondContact O-CG 3.39Å; S12-L16 PolarHBondContact O-N 3.06Å
13	L	90.6	Very high	83.9	Confident	37 Å²	37	80.2 Å²	80.2	19%	0.194	43%	0.432	C	S	.	.	H	α-helix	trans	-63	-40.8	177.4	-178.9	65.1	0	0	0	111.7	Q9 E10 M11 L16 K17 I23 I26	Q9-L13 VanDerWaalsContact O-CB 3.23Å; Q9-L13 WeakPolarHBondContact O-CB 3.5Å; Q9-L13 PolarHBondContact O-N 3.11Å; E10-L13 PolarHBondContact O-N 3.35Å; M11-L13 VanDerWaalsContact C-N 3.32Å; M11-L13 PolarHBondContact O-N 2.87Å; L13-L16 PolarHBondContact O-N 2.87Å; L13-K17 HydrophobicContact CD1-CD 4.46Å; L13-K17 HydrophobicContact CD1-CG 4.44Å; L13-K17 HydrophobicContact CG-CD 4.22Å; L13-K17 WeakPolarHBondContact O-CB 3.41Å; L13-K17 VanDerWaalsContact O-CG 3.32Å; L13-K17 WeakPolarHBondContact O-CG 3.38Å; L13-K17 PolarHBondContact O-N 2.94Å; L13-I23 HydrophobicContact CD1-CG2 3.81Å; L13-I26 HydrophobicContact CB-CD1 4.04Å; L13-I26 HydrophobicContact CB-CG1 4.48Å; L13-I26 HydrophobicContact CD1-CG1 4.18Å
14	A	91.2	Very high	85.8	Confident	61 Å²	61	79 Å²	79	50%	0.504	42%	0.416	S	S	.	.	H	α-helix	trans	-63.1	-43.7	176.2	0	0	0	0	0	111.8	E10 M11 S12 K17 Q18	E10-A14 WeakPolarHBondContact O-CB 3.36Å; E10-A14 PolarHBondContact O-N 2.87Å; M11-A14 PolarHBondContact O-N 2.84Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 2.74Å; A14-K17 PolarHBondContact O-N 2.98Å; A14-Q18 PolarHBondContact O-N 3.39Å; A14-Q18 VanDerWaalsContact O-N 3.12Å
15	A	90.1	Very high	87.4	Confident	50 Å²	50	77.4 Å²	77.4	41%	0.413	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-44.1	176.3	0	0	0	0	0	112	M11 S12 K17 Q18 H19	M11-A15 PolarHBondContact O-N 3.25Å; S12-A15 PolarHBondContact O-N 2.93Å; A15-K17 PolarHBondContact O-N 3.44Å; A15-Q18 WeakPolarHBondContact O-CB 3.5Å; A15-Q18 PolarHBondContact O-N 3.09Å; A15-H19 PolarHBondContact O-CD2 2.96Å
16	L	90.9	Very high	88.4	Confident	14 Å²	14	75.1 Å²	75.1	7%	0.073	39%	0.392	C	S	.	.	H	α-helix	trans	-64.1	-41	176.6	-69.7	178.3	0	0	0	112	S12 L13 Q18 H19 D20 I23 I26 F55 T68 V70	S12-L16 WeakPolarHBondContact O-CB 3.2Å; S12-L16 VanDerWaalsContact O-CG 3.29Å; S12-L16 WeakPolarHBondContact O-CG 3.39Å; S12-L16 PolarHBondContact O-N 3.06Å; L13-L16 PolarHBondContact O-N 2.87Å; L16-Q18 PolarHBondContact O-N 3.29Å; L16-H19 PolarHBondContact O-N 2.8Å; L16-H19 VanDerWaalsContact O-N 3.1Å; L16-D20 PolarHBondContact O-N 3.1Å; L16-I23 HydrophobicContact CB-CD1 3.82Å; L16-I26 HydrophobicContact CD1-CD1 4.05Å; L16-I26 HydrophobicContact CD1-CG1 4Å; L16-F55 HydrophobicContact CD1-CB 3.91Å; L16-F55 HydrophobicContact CD1-CD1 4.14Å; L16-F55 HydrophobicContact CD1-CG 3.95Å; L16-T68 HydrophobicContact CD2-CG2 3.61Å; L16-V70 HydrophobicContact CD2-CG2 4.42Å
17	K	92.5	Very high	89.3	Confident	90 Å²	90	67.9 Å²	67.9	39%	0.391	37%	0.374	S	S	.	.	H	α-helix	trans	-63.5	-27.4	176.3	-80.9	178.2	171.9	178.5	0	113.8	L13 A14 A15 H19 D20 I23	L13-K17 HydrophobicContact CD1-CD 4.46Å; L13-K17 HydrophobicContact CD1-CG 4.44Å; L13-K17 HydrophobicContact CG-CD 4.22Å; L13-K17 WeakPolarHBondContact O-CB 3.41Å; L13-K17 VanDerWaalsContact O-CG 3.32Å; L13-K17 WeakPolarHBondContact O-CG 3.38Å; L13-K17 PolarHBondContact O-N 2.94Å; A14-K17 PolarHBondContact O-N 2.98Å; A15-K17 PolarHBondContact O-N 3.44Å; K17-H19 VanDerWaalsContact C-N 3.26Å; K17-H19 PolarHBondContact O-N 2.9Å; K17-D20 WeakPolarHBondContact CA-O 3.35Å; K17-D20 CarbonylContact O-C 3.38Å; K17-I23 WeakPolarHBondContact CE-O 3.45Å; K17-I23 HydrophobicContact CG-CB 4.28Å
18	Q	90.1	Very high	90	Very high	170 Å²	170	69.5 Å²	69.5	79%	0.794	38%	0.375	S	S	*	.	H	α-helix	trans	-65.8	-32.6	174.8	-170.3	176.5	2.3	0	0	111.8	A14 A15 L16	A14-Q18 PolarHBondContact O-N 3.39Å; A14-Q18 VanDerWaalsContact O-N 3.12Å; A15-Q18 WeakPolarHBondContact O-CB 3.5Å; A15-Q18 PolarHBondContact O-N 3.09Å; L16-Q18 PolarHBondContact O-N 3.29Å
19	H	87.3	Confident	90.5	Very high	153 Å²	153	70.7 Å²	70.7	71%	0.708	38%	0.38	S	S	*	.	H	α-helix	trans	-86.4	-38	175.4	-71.9	-76	0	0	0	112.8	A15 L16 K17	A15-H19 PolarHBondContact O-CD2 2.96Å; L16-H19 PolarHBondContact O-N 2.8Å; L16-H19 VanDerWaalsContact O-N 3.1Å; K17-H19 VanDerWaalsContact C-N 3.26Å; K17-H19 PolarHBondContact O-N 2.9Å
20	D	89.6	Confident	90.8	Very high	26 Å²	26	69.5 Å²	69.5	14%	0.139	38%	0.378	C	S	.	.			trans	-137	101.9	178.7	-178.1	1.9	0	0	0	111.3	L16 K17 Y22 I23 R59	L16-D20 PolarHBondContact O-N 3.1Å; K17-D20 WeakPolarHBondContact CA-O 3.35Å; K17-D20 CarbonylContact O-C 3.38Å; D20-Y22 PolarHBondContact O-N 2.97Å; D20-Y22 VanDerWaalsContact O-N 3.12Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.26Å; D20-Y22 WeakPolarHBondContact OD1-CD2 3.49Å; D20-Y22 PolarHBondContact OD1-N 2.89Å; D20-I23 HydrophobicContact CB-CD1 3.76Å; D20-I23 HydrophobicContact CB-CG1 3.83Å; D20-I23 WeakPolarHBondContact O-CB 3.44Å; D20-I23 WeakPolarHBondContact O-CG1 3.36Å; D20-I23 PolarHBondContact O-N 2.7Å; D20-I23 VanDerWaalsContact O-N 3.13Å; D20-R59 IonicContact OD1-NE 2.68Å; D20-R59 IonicContact OD1-NH2 2.86Å; D20-R59 PolarHBondContact OD1-NH2 2.97Å; D20-R59 IonicContact OD2-CZ 3.05Å; D20-R59 VanDerWaalsContact OD2-CZ 3.26Å; D20-R59 IonicContact OD2-NE 3.26Å; D20-R59 PolarHBondContact OD2-NE 3.21Å; D20-R59 IonicContact OD2-NH2 3.35Å; D20-R59 PolarHBondContact OD2-NH2 2.67Å
21	P	92.6	Very high	90.9	Very high	101 Å²	101	66.3 Å²	66.3	66%	0.656	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.1	-176.3	26.5	-32.6	0	0	0	113.2	I23	P21-I23 VanDerWaalsContact C-N 3.27Å
22	Y	93.9	Very high	91	Very high	124 Å²	124	66.3 Å²	66.3	49%	0.486	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.9	176.7	-61.9	-77.5	0	0	0	112.8	D20 T24 R59 S60 A61	D20-Y22 PolarHBondContact O-N 2.97Å; D20-Y22 VanDerWaalsContact O-N 3.12Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.26Å; D20-Y22 WeakPolarHBondContact OD1-CD2 3.49Å; D20-Y22 PolarHBondContact OD1-N 2.89Å; Y22-T24 PolarHBondContact O-N 2.96Å; Y22-R59 CarbonylContact O-C 3.58Å; Y22-R59 WeakPolarHBondContact O-CA 3.38Å; Y22-S60 PolarHBondContact O-N 2.84Å; Y22-S60 PolarHBondContact O-OG 2.87Å; Y22-A61 HydrophobicContact CD1-CB 3.72Å; Y22-A61 HydrophobicContact CE1-CB 4.14Å; Y22-A61 HydrophobicContact CG-CB 4.17Å
23	I	94.6	Very high	91.2	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	121.9	177.9	-63.8	179.9	0	0	0	110	L13 L16 K17 D20 P21 Y57 R58 R59	L13-I23 HydrophobicContact CD1-CG2 3.81Å; L16-I23 HydrophobicContact CB-CD1 3.82Å; K17-I23 WeakPolarHBondContact CE-O 3.45Å; K17-I23 HydrophobicContact CG-CB 4.28Å; D20-I23 HydrophobicContact CB-CD1 3.76Å; D20-I23 HydrophobicContact CB-CG1 3.83Å; D20-I23 WeakPolarHBondContact O-CB 3.44Å; D20-I23 WeakPolarHBondContact O-CG1 3.36Å; D20-I23 PolarHBondContact O-N 2.7Å; D20-I23 VanDerWaalsContact O-N 3.13Å; P21-I23 VanDerWaalsContact C-N 3.27Å; I23-Y57 HydrophobicContact CB-CD2 4.41Å; I23-Y57 HydrophobicContact CD1-CD1 4.44Å; I23-Y57 HydrophobicContact CD1-CD2 3.68Å; I23-Y57 HydrophobicContact CD1-CE1 4.41Å; I23-Y57 HydrophobicContact CD1-CE2 3.59Å; I23-Y57 HydrophobicContact CD1-CG 4.09Å; I23-Y57 HydrophobicContact CG1-CD2 3.56Å; I23-Y57 HydrophobicContact CG1-CE2 3.65Å; I23-Y57 HydrophobicContact CG1-CG 4.34Å; I23-Y57 HydrophobicContact CG2-CD2 4.14Å; I23-Y57 HydrophobicContact CG2-CG 4.32Å; I23-R58 WeakPolarHBondContact CA-O 3.5Å; I23-R59 HydrophobicContact CG1-CG 4.34Å
24	T	93.8	Very high	91.3	Very high	66 Å²	66	66.9 Å²	66.9	41%	0.405	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-45	-178.7	54	0	0	0	0	111.9	Y22 R58	Y22-T24 PolarHBondContact O-N 2.96Å; T24-R58 PolarHBondContact N-O 3.01Å; T24-R58 WeakPolarHBondContact OG1-CB 3.11Å; T24-R58 PolarHBondContact OG1-O 3.25Å; T24-R58 VanDerWaalsContact OG1-O 3.13Å
25	S	92.4	Very high	91.5	Very high	41 Å²	41	64.8 Å²	64.8	29%	0.287	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	149.1	-174.8	64.9	0	0	0	0	111.8	Y57 R58	S25-Y57 WeakPolarHBondContact O-CA 3.34Å; S25-Y57 WeakPolarHBondContact O-CB 3.22Å; S25-R58 PolarHBondContact O-N 2.9Å
26	I	92.7	Very high	91.6	Very high	31 Å²	31	67.1 Å²	67.1	16%	0.159	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.2	166.3	-62.2	167.4	0	0	0	107.9	L13 L16 D28 F55 V56	L13-I26 HydrophobicContact CB-CD1 4.04Å; L13-I26 HydrophobicContact CB-CG1 4.48Å; L13-I26 HydrophobicContact CD1-CG1 4.18Å; L16-I26 HydrophobicContact CD1-CD1 4.05Å; L16-I26 HydrophobicContact CD1-CG1 4Å; I26-D28 WeakPolarHBondContact CG2-O 3.48Å; I26-F55 HydrophobicContact CD1-CD1 4.16Å; I26-F55 HydrophobicContact CD1-CE1 4.46Å; I26-F55 HydrophobicContact CG2-CD1 4.42Å; I26-V56 CarbonylContact C-O 3.57Å
27	A	92.3	Very high	91.7	Very high	44 Å²	44	69.7 Å²	69.7	36%	0.364	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-44.1	175.9	0	0	0	0	0	111.4	V56	A27-V56 HydrophobicContact CB-CB 4.48Å; A27-V56 HydrophobicContact CB-CG1 4.18Å; A27-V56 PolarHBondContact N-O 3.41Å
28	D	90.7	Very high	91.6	Very high	87 Å²	87	69.7 Å²	69.7	47%	0.465	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	165.2	177.2	-151.3	-13.1	0	0	0	110.8	I26 V56	I26-D28 WeakPolarHBondContact CG2-O 3.48Å; D28-V56 HydrophobicContact CB-CB 4.46Å; D28-V56 PolarHBondContact N-O 3.05Å; D28-V56 PolarHBondContact O-N 3.11Å
29	L	90.9	Very high	91.5	Very high	33 Å²	33	63 Å²	63	17%	0.173	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	150.2	175.3	68.8	99.3	0	0	0	111.4	L4 L54 F55	L4-L29 HydrophobicContact CD1-CD1 3.84Å; L4-L29 HydrophobicContact CD1-CD2 3.67Å; L4-L29 HydrophobicContact CD1-CG 4.43Å; L4-L29 HydrophobicContact CG-CD1 4.24Å; L4-L29 HydrophobicContact CG-CD2 4.34Å; L29-L54 CarbonylContact C-O 3.48Å; L29-L54 VanDerWaalsContact CA-O 3.24Å; L29-L54 WeakPolarHBondContact CA-O 3.08Å; L29-F55 HydrophobicContact CB-CD1 3.88Å; L29-F55 HydrophobicContact CB-CE1 4.14Å
30	T	88.4	Confident	91.4	Very high	62 Å²	62	60.7 Å²	60.7	38%	0.38	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.6	170.1	175.4	0	0	0	0	111.4	V33 T53 L54	T30-V33 HydrophobicContact CG2-CG1 3.51Å; T30-T53 VanDerWaalsContact O-CG2 3.25Å; T30-T53 WeakPolarHBondContact O-CG2 3.27Å; T30-L54 HydrophobicContact CG2-CB 3.5Å; T30-L54 VanDerWaalsContact CG2-CB 3.5Å; T30-L54 HydrophobicContact CG2-CD2 3.83Å; T30-L54 HydrophobicContact CG2-CG 4.28Å; T30-L54 PolarHBondContact N-O 2.96Å; T30-L54 PolarHBondContact O-N 2.81Å; T30-L54 VanDerWaalsContact O-N 3.11Å
31	G	86.1	Confident	91.5	Very high	40 Å²	40	69.4 Å²	69.4	41%	0.412	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-31.3	-164.8	0	0	0	0	0	115.3	R72	G31-R72 PolarHBondContact O-NH2 2.86Å
32	Q	89.8	Confident	91.3	Very high	132 Å²	132	66.9 Å²	66.9	62%	0.617	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.6	121.7	178	-172	172.9	5.5	0	0	110.4	E51 G52	Q32-E51 PolarHBondContact NE2-OE1 2.75Å; Q32-G52 CarbonylContact C-O 3.58Å; Q32-G52 WeakPolarHBondContact CA-O 3.37Å
33	V	93.8	Very high	91.1	Very high	34 Å²	34	67 Å²	67	21%	0.206	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.8	171.9	-64.1	0	0	0	0	109.5	T30 E51 G52 L54 I69	T30-V33 HydrophobicContact CG2-CG1 3.51Å; V33-E51 CarbonylContact O-C 3.54Å; V33-E51 VanDerWaalsContact O-CA 3.31Å; V33-E51 WeakPolarHBondContact O-CA 3.47Å; V33-E51 WeakPolarHBondContact O-CG 3.46Å; V33-G52 WeakPolarHBondContact CG2-O 3.35Å; V33-G52 PolarHBondContact N-O 2.91Å; V33-G52 PolarHBondContact O-N 2.84Å; V33-L54 HydrophobicContact CG1-CB 3.99Å; V33-L54 HydrophobicContact CG2-CB 3.82Å; V33-I69 HydrophobicContact CG2-CB 4.46Å; V33-I69 HydrophobicContact CG2-CD1 3.9Å; V33-I69 HydrophobicContact CG2-CG1 3.95Å; V33-I69 HydrophobicContact CG2-CG2 3.72Å
34	A	94.1	Very high	91.1	Very high	40 Å²	40	71.4 Å²	71.4	33%	0.331	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.9	171.5	0	0	0	0	0	108.8	Y36 E51	A34-Y36 HydrophobicContact CB-CE2 4.01Å; A34-E51 HydrophobicContact CB-CG 4.13Å
35	L	94	Very high	90.9	Very high	17 Å²	17	74.7 Å²	74.7	9%	0.089	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.3	178.2	178.1	72.5	0	0	0	110.3	T48 I50 I69 L78 Y97	L35-T48 WeakPolarHBondContact CB-OG1 3.37Å; L35-T48 HydrophobicContact CD2-CG2 4.15Å; L35-T48 HydrophobicContact CG-CG2 4.13Å; L35-T48 WeakPolarHBondContact O-CB 3.47Å; L35-T48 PolarHBondContact O-N 3.28Å; L35-T48 PolarHBondContact O-OG1 2.83Å; L35-I50 HydrophobicContact CB-CB 4.05Å; L35-I50 HydrophobicContact CB-CG2 4.25Å; L35-I50 HydrophobicContact CD2-CB 4.24Å; L35-I50 HydrophobicContact CD2-CD1 3.87Å; L35-I50 HydrophobicContact CD2-CG1 4.5Å; L35-I50 PolarHBondContact N-O 3.35Å; L35-I69 HydrophobicContact CB-CD1 4.29Å; L35-L78 HydrophobicContact CD1-CD2 4.16Å; L35-L78 HydrophobicContact CD2-CD1 4.19Å; L35-L78 HydrophobicContact CD2-CD2 4.07Å; L35-Y97 HydrophobicContact CD1-CE1 3.91Å; L35-Y97 WeakPolarHBondContact CD1-OH 3.45Å
36	Y	93.1	Very high	91	Very high	100 Å²	100	76.6 Å²	76.6	39%	0.392	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.3	170.8	-69.6	-102.3	0	0	0	108.9	A34 E46 K47	A34-Y36 HydrophobicContact CB-CE2 4.01Å; Y36-E46 WeakPolarHBondContact CA-O 3.39Å; Y36-K47 HydrophobicContact CD1-CB 3.95Å; Y36-K47 HydrophobicContact CD1-CG 4.34Å; Y36-K47 HydrophobicContact CE1-CB 3.53Å; Y36-K47 HydrophobicContact CE1-CD 4.47Å; Y36-K47 HydrophobicContact CE1-CG 3.76Å; Y36-K47 HydrophobicContact CE2-CG 4.47Å
37	T	92.3	Very high	90.9	Very high	67 Å²	67	80.7 Å²	80.7	41%	0.411	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.8	174.3	46.8	0	0	0	0	109.2	E46 T48	T37-E46 PolarHBondContact N-O 3.05Å; T37-E46 PolarHBondContact O-N 3.25Å; T37-T48 HydrophobicContact CG2-CG2 3.58Å
38	F	90.2	Very high	90.9	Very high	91 Å²	91	79.9 Å²	79.9	40%	0.399	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.2	175	-176.9	-105.2	0	0	0	109.8	P40 N43 W45	F38-P40 HydrophobicContact CD1-CG 4.32Å; F38-P40 HydrophobicContact CE1-CB 4.48Å; F38-P40 HydrophobicContact CE1-CG 4.46Å; F38-P40 WeakPolarHBondContact O-CD 3.18Å; F38-N43 WeakPolarHBondContact CZ-OD1 3.4Å; F38-W45 HydrophobicContact CB-CD2 4.08Å; F38-W45 HydrophobicContact CB-CE3 3.84Å; F38-W45 HydrophobicContact CB-CH2 3.89Å; F38-W45 HydrophobicContact CB-CZ2 4.1Å; F38-W45 HydrophobicContact CB-CZ3 3.75Å; F38-W45 AromaticContact CD2-CD2 3.97Å; F38-W45 HydrophobicContact CD2-CD2 3.97Å; F38-W45 AromaticContact CD2-CE2 3.76Å; F38-W45 HydrophobicContact CD2-CG 4.18Å; F38-W45 HydrophobicContact CD2-CZ2 4.21Å; F38-W45 AromaticContact CD2-NE1 3.79Å; F38-W45 HydrophobicContact CG-CZ2 4.46Å
39	C	88.2	Confident	91	Very high	30 Å²	30	80 Å²	80	20%	0.203	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	108.1	175.7	-179.4	0	0	0	0	109.6	K41 A42 N43 Q44 E46	C39-K41 VanDerWaalsContact C-N 3.28Å; C39-K41 PolarHBondContact O-N 2.68Å; C39-A42 HydrophobicContact CB-CB 4.45Å; C39-A42 PolarHBondContact O-N 3.13Å; C39-N43 WeakPolarHBondContact O-CA 3.39Å; C39-N43 PolarHBondContact O-N 2.85Å; C39-Q44 PolarHBondContact N-O 2.83Å; C39-Q44 PolarHBondContact O-N 3.26Å; C39-E46 HydrophobicContact CB-CG 4.41Å
40	P	86.9	Confident	91.1	Very high	104 Å²	104	79.4 Å²	79.4	68%	0.675	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-30	-177.7	-21.8	34.1	0	0	0	113.1	F38 N43	F38-P40 HydrophobicContact CD1-CG 4.32Å; F38-P40 HydrophobicContact CE1-CB 4.48Å; F38-P40 HydrophobicContact CE1-CG 4.46Å; F38-P40 WeakPolarHBondContact O-CD 3.18Å; P40-N43 PolarHBondContact O-N 2.92Å
41	K	90.1	Very high	91.4	Very high	209 Å²	209	78.5 Å²	78.5	91%	0.909	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-40.3	-178.7	-66	-178.2	-179.2	175.9	0	112.4	C39	C39-K41 VanDerWaalsContact C-N 3.28Å; C39-K41 PolarHBondContact O-N 2.68Å
42	A	89.5	Confident	91.8	Very high	48 Å²	48	76.7 Å²	76.7	40%	0.397	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-5.6	178.6	0	0	0	0	0	112.5	C39 Q44	C39-A42 HydrophobicContact CB-CB 4.45Å; C39-A42 PolarHBondContact O-N 3.13Å; A42-Q44 HydrophobicContact CB-CG 3.67Å; A42-Q44 PolarHBondContact O-N 2.83Å
43	N	90.1	Very high	91.9	Very high	126 Å²	126	71.4 Å²	71.4	67%	0.674	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	40.1	-176	-166.1	50.1	0	0	0	112.6	F38 C39 P40	F38-N43 WeakPolarHBondContact CZ-OD1 3.4Å; C39-N43 WeakPolarHBondContact O-CA 3.39Å; C39-N43 PolarHBondContact O-N 2.85Å; P40-N43 PolarHBondContact O-N 2.92Å
44	Q	92.8	Very high	91.9	Very high	97 Å²	97	71.4 Å²	71.4	45%	0.453	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.9	-173.8	74.7	-173.4	24.7	0	0	111.1	C39 A42 E46	C39-Q44 PolarHBondContact N-O 2.83Å; C39-Q44 PolarHBondContact O-N 3.26Å; A42-Q44 HydrophobicContact CB-CG 3.67Å; A42-Q44 PolarHBondContact O-N 2.83Å; Q44-E46 HydrophobicContact CG-CG 4.14Å; Q44-E46 PolarHBondContact NE2-OE1 2.87Å
45	W	91.7	Very high	91.9	Very high	135 Å²	135	70.2 Å²	70.2	51%	0.511	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.7	170.4	-71.7	95.7	0	0	0	110.2	F38 L96	F38-W45 HydrophobicContact CB-CD2 4.08Å; F38-W45 HydrophobicContact CB-CE3 3.84Å; F38-W45 HydrophobicContact CB-CH2 3.89Å; F38-W45 HydrophobicContact CB-CZ2 4.1Å; F38-W45 HydrophobicContact CB-CZ3 3.75Å; F38-W45 AromaticContact CD2-CD2 3.97Å; F38-W45 HydrophobicContact CD2-CD2 3.97Å; F38-W45 AromaticContact CD2-CE2 3.76Å; F38-W45 HydrophobicContact CD2-CG 4.18Å; F38-W45 HydrophobicContact CD2-CZ2 4.21Å; F38-W45 AromaticContact CD2-NE1 3.79Å; F38-W45 HydrophobicContact CG-CZ2 4.46Å; W45-L96 HydrophobicContact CH2-CD2 4.31Å; W45-L96 HydrophobicContact CH2-CG 4.39Å; W45-L96 HydrophobicContact CZ2-CD2 3.89Å; W45-L96 HydrophobicContact CZ2-CG 4.35Å
46	E	92.8	Very high	91.9	Very high	82 Å²	82	71.8 Å²	71.8	38%	0.383	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.5	177.7	-65.5	-179.3	178.9	0	0	109.1	Y36 T37 C39 Q44 T48	Y36-E46 WeakPolarHBondContact CA-O 3.39Å; T37-E46 PolarHBondContact N-O 3.05Å; T37-E46 PolarHBondContact O-N 3.25Å; C39-E46 HydrophobicContact CB-CG 4.41Å; Q44-E46 HydrophobicContact CG-CG 4.14Å; Q44-E46 PolarHBondContact NE2-OE1 2.87Å; E46-T48 PolarHBondContact O-N 2.63Å
47	K	91.4	Very high	92	Very high	117 Å²	117	67.4 Å²	67.4	51%	0.509	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.9	175.4	-169	-177.7	175.7	-178.2	0	108.2	Y36 E51	Y36-K47 HydrophobicContact CD1-CB 3.95Å; Y36-K47 HydrophobicContact CD1-CG 4.34Å; Y36-K47 HydrophobicContact CE1-CB 3.53Å; Y36-K47 HydrophobicContact CE1-CD 4.47Å; Y36-K47 HydrophobicContact CE1-CG 3.76Å; Y36-K47 HydrophobicContact CE2-CG 4.47Å; K47-E51 IonicContact NZ-OE2 3.16Å; K47-E51 PolarHBondContact NZ-OE2 3.04Å
48	T	92.5	Very high	92.1	Very high	27 Å²	27	69.7 Å²	69.7	17%	0.166	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	173	172.8	70.8	0	0	0	0	111.1	L35 T37 E46 I50	L35-T48 WeakPolarHBondContact CB-OG1 3.37Å; L35-T48 HydrophobicContact CD2-CG2 4.15Å; L35-T48 HydrophobicContact CG-CG2 4.13Å; L35-T48 WeakPolarHBondContact O-CB 3.47Å; L35-T48 PolarHBondContact O-N 3.28Å; L35-T48 PolarHBondContact O-OG1 2.83Å; T37-T48 HydrophobicContact CG2-CG2 3.58Å; E46-T48 PolarHBondContact O-N 2.63Å; T48-I50 PolarHBondContact O-N 3.27Å; T48-I50 PolarHBondContact OG1-N 3.46Å
49	D	92.8	Very high	92.3	Very high	89 Å²	89	67.4 Å²	67.4	48%	0.476	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	12.5	171.7	67.2	-30.6	0	0	0	113.1	N71 N74	D49-N71 PolarHBondContact O-ND2 2.92Å; D49-N71 PolarHBondContact O-OD1 3.39Å; D49-N74 PolarHBondContact OD2-ND2 2.86Å
50	I	93.5	Very high	92.6	Very high	20 Å²	20	69.4 Å²	69.4	10%	0.103	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	106	179.6	-58	-178	0	0	0	109.6	L35 T48 I69 L78	L35-I50 HydrophobicContact CB-CB 4.05Å; L35-I50 HydrophobicContact CB-CG2 4.25Å; L35-I50 HydrophobicContact CD2-CB 4.24Å; L35-I50 HydrophobicContact CD2-CD1 3.87Å; L35-I50 HydrophobicContact CD2-CG1 4.5Å; L35-I50 PolarHBondContact N-O 3.35Å; T48-I50 PolarHBondContact O-N 3.27Å; T48-I50 PolarHBondContact OG1-N 3.46Å; I50-I69 HydrophobicContact CG2-CB 3.96Å; I50-I69 HydrophobicContact CG2-CD1 4.38Å; I50-I69 HydrophobicContact CG2-CG2 3.69Å; I50-L78 HydrophobicContact CD1-CB 4.18Å; I50-L78 HydrophobicContact CG2-CB 4.35Å
51	E	94.7	Very high	92.8	Very high	44 Å²	44	66 Å²	66	21%	0.206	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125.5	175	-170	175.6	150	0	0	110.1	Q32 V33 A34 K47 N71 R72 L73	Q32-E51 PolarHBondContact NE2-OE1 2.75Å; V33-E51 CarbonylContact O-C 3.54Å; V33-E51 VanDerWaalsContact O-CA 3.31Å; V33-E51 WeakPolarHBondContact O-CA 3.47Å; V33-E51 WeakPolarHBondContact O-CG 3.46Å; A34-E51 HydrophobicContact CB-CG 4.13Å; K47-E51 IonicContact NZ-OE2 3.16Å; K47-E51 PolarHBondContact NZ-OE2 3.04Å; E51-N71 PolarHBondContact N-OD1 2.79Å; E51-N71 PolarHBondContact O-OD1 2.77Å; E51-R72 PolarHBondContact O-N 3.26Å; E51-L73 HydrophobicContact CB-CD1 3.91Å; E51-L73 HydrophobicContact CB-CG 4.31Å
52	G	93.5	Very high	92.6	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-146.6	-176.7	0	0	0	0	0	115.2	Q32 V33 V70	Q32-G52 CarbonylContact C-O 3.58Å; Q32-G52 WeakPolarHBondContact CA-O 3.37Å; V33-G52 WeakPolarHBondContact CG2-O 3.35Å; V33-G52 PolarHBondContact N-O 2.91Å; V33-G52 PolarHBondContact O-N 2.84Å; G52-V70 WeakPolarHBondContact CA-O 3.46Å
53	T	92.9	Very high	92.7	Very high	22 Å²	22	60 Å²	60	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.9	-176.3	-47.9	0	0	0	0	109.6	T30 F55 I69 V70 R72	T30-T53 VanDerWaalsContact O-CG2 3.25Å; T30-T53 WeakPolarHBondContact O-CG2 3.27Å; T53-F55 HydrophobicContact CG2-CD2 4.13Å; T53-F55 HydrophobicContact CG2-CE1 4.17Å; T53-F55 HydrophobicContact CG2-CE2 3.51Å; T53-F55 HydrophobicContact CG2-CZ 3.54Å; T53-I69 WeakPolarHBondContact O-CA 3.36Å; T53-V70 PolarHBondContact N-O 2.91Å; T53-V70 VanDerWaalsContact N-O 3.13Å; T53-V70 PolarHBondContact O-N 3.36Å; T53-R72 PolarHBondContact OG1-NH2 2.86Å
54	L	93.9	Very high	92.8	Very high	34 Å²	34	61 Å²	61	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131	170.2	-174.9	79.1	0	0	0	109.1	L29 T30 V33 V56 F67 T68 I69	L29-L54 CarbonylContact C-O 3.48Å; L29-L54 VanDerWaalsContact CA-O 3.24Å; L29-L54 WeakPolarHBondContact CA-O 3.08Å; T30-L54 HydrophobicContact CG2-CB 3.5Å; T30-L54 VanDerWaalsContact CG2-CB 3.5Å; T30-L54 HydrophobicContact CG2-CD2 3.83Å; T30-L54 HydrophobicContact CG2-CG 4.28Å; T30-L54 PolarHBondContact N-O 2.96Å; T30-L54 PolarHBondContact O-N 2.81Å; T30-L54 VanDerWaalsContact O-N 3.11Å; V33-L54 HydrophobicContact CG1-CB 3.99Å; V33-L54 HydrophobicContact CG2-CB 3.82Å; L54-V56 HydrophobicContact CD2-CG2 4.37Å; L54-F67 HydrophobicContact CD1-CB 4.22Å; L54-F67 HydrophobicContact CD1-CD2 3.51Å; L54-F67 HydrophobicContact CD1-CE2 4.22Å; L54-F67 HydrophobicContact CD1-CG 4.19Å; L54-T68 CarbonylContact C-O 3.45Å; L54-T68 WeakPolarHBondContact CA-O 3.25Å; L54-I69 HydrophobicContact CD1-CD1 4.22Å; L54-I69 HydrophobicContact CD1-CG1 3.48Å; L54-I69 VanDerWaalsContact CD1-CG1 3.48Å
55	F	93.9	Very high	92.8	Very high	14 Å²	14	60.5 Å²	60.5	6%	0.061	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129	169	-64.4	-87.1	0	0	0	109.4	L16 I26 L29 T53 F67 T68 V70	L16-F55 HydrophobicContact CD1-CB 3.91Å; L16-F55 HydrophobicContact CD1-CD1 4.14Å; L16-F55 HydrophobicContact CD1-CG 3.95Å; I26-F55 HydrophobicContact CD1-CD1 4.16Å; I26-F55 HydrophobicContact CD1-CE1 4.46Å; I26-F55 HydrophobicContact CG2-CD1 4.42Å; L29-F55 HydrophobicContact CB-CD1 3.88Å; L29-F55 HydrophobicContact CB-CE1 4.14Å; T53-F55 HydrophobicContact CG2-CD2 4.13Å; T53-F55 HydrophobicContact CG2-CE1 4.17Å; T53-F55 HydrophobicContact CG2-CE2 3.51Å; T53-F55 HydrophobicContact CG2-CZ 3.54Å; F55-F67 CarbonylContact O-C 3.54Å; F55-F67 WeakPolarHBondContact O-CA 3.31Å; F55-F67 WeakPolarHBondContact O-CB 3.48Å; F55-T68 HydrophobicContact CB-CG2 3.96Å; F55-T68 HydrophobicContact CD2-CG2 4.34Å; F55-T68 PolarHBondContact N-O 2.92Å; F55-T68 PolarHBondContact O-N 3.12Å; F55-V70 HydrophobicContact CD2-CG2 3.8Å; F55-V70 HydrophobicContact CE2-CB 4.19Å; F55-V70 HydrophobicContact CE2-CG2 3.72Å
56	V	93.6	Very high	92.9	Very high	51 Å²	51	54.1 Å²	54.1	31%	0.309	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.2	168.9	-175.2	0	0	0	0	107.4	I26 A27 D28 L54 F67	I26-V56 CarbonylContact C-O 3.57Å; A27-V56 HydrophobicContact CB-CB 4.48Å; A27-V56 HydrophobicContact CB-CG1 4.18Å; A27-V56 PolarHBondContact N-O 3.41Å; D28-V56 HydrophobicContact CB-CB 4.46Å; D28-V56 PolarHBondContact N-O 3.05Å; D28-V56 PolarHBondContact O-N 3.11Å; L54-V56 HydrophobicContact CD2-CG2 4.37Å; V56-F67 HydrophobicContact CG2-CB 4.21Å
57	Y	94.5	Very high	93	Very high	8 Å²	8	51.1 Å²	51.1	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.1	-172.6	57.7	-92.6	0	0	0	113	I23 S25 R59 H65 G66 T68	I23-Y57 HydrophobicContact CB-CD2 4.41Å; I23-Y57 HydrophobicContact CD1-CD1 4.44Å; I23-Y57 HydrophobicContact CD1-CD2 3.68Å; I23-Y57 HydrophobicContact CD1-CE1 4.41Å; I23-Y57 HydrophobicContact CD1-CE2 3.59Å; I23-Y57 HydrophobicContact CD1-CG 4.09Å; I23-Y57 HydrophobicContact CG1-CD2 3.56Å; I23-Y57 HydrophobicContact CG1-CE2 3.65Å; I23-Y57 HydrophobicContact CG1-CG 4.34Å; I23-Y57 HydrophobicContact CG2-CD2 4.14Å; I23-Y57 HydrophobicContact CG2-CG 4.32Å; S25-Y57 WeakPolarHBondContact O-CA 3.34Å; S25-Y57 WeakPolarHBondContact O-CB 3.22Å; Y57-R59 HydrophobicContact CD2-CG 3.8Å; Y57-R59 HydrophobicContact CE2-CG 3.75Å; Y57-H65 WeakPolarHBondContact O-CA 3.4Å; Y57-G66 WeakPolarHBondContact CD1-O 3.24Å; Y57-G66 PolarHBondContact N-O 3.05Å; Y57-G66 PolarHBondContact O-N 2.91Å; Y57-G66 VanDerWaalsContact O-N 3.1Å; Y57-T68 HydrophobicContact CD1-CG2 4.31Å; Y57-T68 HydrophobicContact CE1-CG2 3.78Å
58	R	94.7	Very high	93.1	Very high	115 Å²	115	45.9 Å²	45.9	43%	0.434	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	148.5	174.2	-61.6	-175.2	176.4	87.4	3.2	109.9	I23 T24 S25 Y64	I23-R58 WeakPolarHBondContact CA-O 3.5Å; T24-R58 PolarHBondContact N-O 3.01Å; T24-R58 WeakPolarHBondContact OG1-CB 3.11Å; T24-R58 PolarHBondContact OG1-O 3.25Å; T24-R58 VanDerWaalsContact OG1-O 3.13Å; S25-R58 PolarHBondContact O-N 2.9Å; R58-Y64 CarbonylContact C-O 3.57Å; R58-Y64 WeakPolarHBondContact CA-O 3.43Å
59	R	95	Very high	93.2	Very high	42 Å²	42	45 Å²	45	16%	0.158	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.1	-179.7	-58.8	177.2	74.7	-131.4	8.6	110.7	D20 Y22 I23 Y57 A61 S62 P63 Y64	D20-R59 IonicContact OD1-NE 2.68Å; D20-R59 IonicContact OD1-NH2 2.86Å; D20-R59 PolarHBondContact OD1-NH2 2.97Å; D20-R59 IonicContact OD2-CZ 3.05Å; D20-R59 VanDerWaalsContact OD2-CZ 3.26Å; D20-R59 IonicContact OD2-NE 3.26Å; D20-R59 PolarHBondContact OD2-NE 3.21Å; D20-R59 IonicContact OD2-NH2 3.35Å; D20-R59 PolarHBondContact OD2-NH2 2.67Å; Y22-R59 CarbonylContact O-C 3.58Å; Y22-R59 WeakPolarHBondContact O-CA 3.38Å; I23-R59 HydrophobicContact CG1-CG 4.34Å; Y57-R59 HydrophobicContact CD2-CG 3.8Å; Y57-R59 HydrophobicContact CE2-CG 3.75Å; R59-A61 VanDerWaalsContact C-N 3.35Å; R59-S62 PolarHBondContact NH1-O 3.03Å; R59-P63 VanDerWaalsContact CD-O 3.26Å; R59-P63 WeakPolarHBondContact CD-O 3.22Å; R59-P63 PolarHBondContact NH1-O 3.45Å; R59-P63 VanDerWaalsContact NH1-O 3.09Å; R59-Y64 PolarHBondContact N-O 3.18Å
60	S	93.9	Very high	93.2	Very high	73 Å²	73	43 Å²	43	51%	0.51	23%	0.226	S	C	.	.	S	Bend	trans	-81.1	-15.8	176.4	55.4	0	0	0	0	113.3	Y22	Y22-S60 PolarHBondContact O-N 2.84Å; Y22-S60 PolarHBondContact O-OG 2.87Å
61	A	90.2	Very high	93.1	Very high	32 Å²	32	42.6 Å²	42.6	26%	0.264	22%	0.224	S	C	.	.	S	Bend	trans	-125.8	157	178.8	0	0	0	0	0	110.8	Y22 R59 P63	Y22-A61 HydrophobicContact CD1-CB 3.72Å; Y22-A61 HydrophobicContact CE1-CB 4.14Å; Y22-A61 HydrophobicContact CG-CB 4.17Å; R59-A61 VanDerWaalsContact C-N 3.35Å; A61-P63 CarbonylContact O-C 3.19Å
62	S	87.2	Confident	93	Very high	93 Å²	93	48 Å²	48	65%	0.65	24%	0.242	S	C	*	.	S	Bend	trans	-61.7	140.2	176.2	-172.2	0	0	0	0	111.5	R59	R59-S62 PolarHBondContact NH1-O 3.03Å
63	P	91.1	Very high	92.7	Very high	38 Å²	38	53.3 Å²	53.3	25%	0.247	27%	0.27	C	S	.	.	S	Bend	cis	-65.6	133.3	-11	23.3	-32.4	0	0	0	111.7	R59 A61 H65 P81	R59-P63 VanDerWaalsContact CD-O 3.26Å; R59-P63 WeakPolarHBondContact CD-O 3.22Å; R59-P63 PolarHBondContact NH1-O 3.45Å; R59-P63 VanDerWaalsContact NH1-O 3.09Å; A61-P63 CarbonylContact O-C 3.19Å; P63-H65 PolarHBondContact O-N 3.13Å; P63-P81 HydrophobicContact CB-CB 4.05Å; P63-P81 HydrophobicContact CG-CB 3.39Å
64	Y	92.9	Very high	92.5	Very high	146 Å²	146	54.7 Å²	54.7	57%	0.573	28%	0.276	S	S	*	.			trans	-72.3	-14.7	-172.4	-68.9	-74.3	0	0	0	114.5	R58 R59	R58-Y64 CarbonylContact C-O 3.57Å; R58-Y64 WeakPolarHBondContact CA-O 3.43Å; R59-Y64 PolarHBondContact N-O 3.18Å
65	H	92.7	Very high	92.2	Very high	87 Å²	87	61.7 Å²	61.7	40%	0.403	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.1	179.4	-62.5	85.6	0	0	0	108.5	Y57 P63 V82	Y57-H65 WeakPolarHBondContact O-CA 3.4Å; P63-H65 PolarHBondContact O-N 3.13Å; H65-V82 HydrophobicContact CB-CB 3.85Å; H65-V82 HydrophobicContact CB-CG1 4.27Å; H65-V82 HydrophobicContact CB-CG2 4.41Å; H65-V82 WeakPolarHBondContact O-CB 3.35Å; H65-V82 PolarHBondContact O-N 3.32Å
66	G	93.4	Very high	92.1	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	162.7	179	0	0	0	0	0	110.2	Y57 E80	Y57-G66 WeakPolarHBondContact CD1-O 3.24Å; Y57-G66 PolarHBondContact N-O 3.05Å; Y57-G66 PolarHBondContact O-N 2.91Å; Y57-G66 VanDerWaalsContact O-N 3.1Å; G66-E80 WeakPolarHBondContact CA-O 3.23Å
67	F	93.9	Very high	91.9	Very high	19 Å²	19	67.8 Å²	67.8	8%	0.083	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154	165.1	68.6	-94.1	0	0	0	110.7	L54 F55 V56 L78 E80 V82 L86 F88 Y97	L54-F67 HydrophobicContact CD1-CB 4.22Å; L54-F67 HydrophobicContact CD1-CD2 3.51Å; L54-F67 HydrophobicContact CD1-CE2 4.22Å; L54-F67 HydrophobicContact CD1-CG 4.19Å; F55-F67 CarbonylContact O-C 3.54Å; F55-F67 WeakPolarHBondContact O-CA 3.31Å; F55-F67 WeakPolarHBondContact O-CB 3.48Å; V56-F67 HydrophobicContact CG2-CB 4.21Å; F67-L78 HydrophobicContact CE2-CD2 3.94Å; F67-E80 HydrophobicContact CD1-CB 4.12Å; F67-E80 HydrophobicContact CD2-CB 4.15Å; F67-E80 HydrophobicContact CE1-CB 3.57Å; F67-E80 HydrophobicContact CE1-CG 4.44Å; F67-E80 HydrophobicContact CE2-CB 3.63Å; F67-E80 HydrophobicContact CE2-CG 3.91Å; F67-E80 HydrophobicContact CG-CB 4.4Å; F67-E80 HydrophobicContact CZ-CB 3.32Å; F67-E80 HydrophobicContact CZ-CG 3.73Å; F67-E80 PolarHBondContact N-O 3.25Å; F67-E80 PolarHBondContact O-N 3.1Å; F67-V82 HydrophobicContact CD1-CG2 4Å; F67-L86 HydrophobicContact CE1-CD2 4.14Å; F67-F88 HydrophobicContact CE1-CE1 4.37Å; F67-F88 HydrophobicContact CE1-CZ 4.29Å; F67-Y97 HydrophobicContact CZ-CE1 4.42Å; F67-Y97 HydrophobicContact CZ-CE2 4.38Å
68	T	94.3	Very high	91.8	Very high	7 Å²	7	68.3 Å²	68.3	4%	0.043	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.5	175.7	-177	0	0	0	0	110.1	L16 L54 F55 Y57 V70 L78	L16-T68 HydrophobicContact CD2-CG2 3.61Å; L54-T68 CarbonylContact C-O 3.45Å; L54-T68 WeakPolarHBondContact CA-O 3.25Å; F55-T68 HydrophobicContact CB-CG2 3.96Å; F55-T68 HydrophobicContact CD2-CG2 4.34Å; F55-T68 PolarHBondContact N-O 2.92Å; F55-T68 PolarHBondContact O-N 3.12Å; Y57-T68 HydrophobicContact CD1-CG2 4.31Å; Y57-T68 HydrophobicContact CE1-CG2 3.78Å; T68-V70 HydrophobicContact CG2-CG2 4.4Å; T68-L78 CarbonylContact C-O 3.48Å; T68-L78 WeakPolarHBondContact CA-O 3.47Å; T68-L78 VanDerWaalsContact CB-O 3.27Å; T68-L78 WeakPolarHBondContact CB-O 3.39Å; T68-L78 PolarHBondContact OG1-O 3.48Å
69	I	94.4	Very high	91.7	Very high	8 Å²	8	67.1 Å²	67.1	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.1	166.1	-55.2	175.1	0	0	0	106.5	V33 L35 I50 T53 L54 N71 N77 L78	V33-I69 HydrophobicContact CG2-CB 4.46Å; V33-I69 HydrophobicContact CG2-CD1 3.9Å; V33-I69 HydrophobicContact CG2-CG1 3.95Å; V33-I69 HydrophobicContact CG2-CG2 3.72Å; L35-I69 HydrophobicContact CB-CD1 4.29Å; I50-I69 HydrophobicContact CG2-CB 3.96Å; I50-I69 HydrophobicContact CG2-CD1 4.38Å; I50-I69 HydrophobicContact CG2-CG2 3.69Å; T53-I69 WeakPolarHBondContact O-CA 3.36Å; L54-I69 HydrophobicContact CD1-CD1 4.22Å; L54-I69 HydrophobicContact CD1-CG1 3.48Å; L54-I69 VanDerWaalsContact CD1-CG1 3.48Å; I69-N71 PolarHBondContact O-N 3.49Å; I69-N77 WeakPolarHBondContact O-CA 3.29Å; I69-N77 WeakPolarHBondContact O-CB 3.48Å; I69-L78 HydrophobicContact CB-CB 3.95Å; I69-L78 HydrophobicContact CD1-CB 4.4Å; I69-L78 HydrophobicContact CD1-CD2 3.67Å; I69-L78 HydrophobicContact CG1-CB 4.24Å; I69-L78 HydrophobicContact CG1-CD2 4.06Å; I69-L78 PolarHBondContact N-O 3.48Å; I69-L78 PolarHBondContact O-N 2.82Å
70	V	92.6	Very high	91.5	Very high	48 Å²	48	66.3 Å²	66.3	29%	0.291	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	108	171.1	178.5	0	0	0	0	107	L16 G52 T53 F55 T68 N77	L16-V70 HydrophobicContact CD2-CG2 4.42Å; G52-V70 WeakPolarHBondContact CA-O 3.46Å; T53-V70 PolarHBondContact N-O 2.91Å; T53-V70 VanDerWaalsContact N-O 3.13Å; T53-V70 PolarHBondContact O-N 3.36Å; F55-V70 HydrophobicContact CD2-CG2 3.8Å; F55-V70 HydrophobicContact CE2-CB 4.19Å; F55-V70 HydrophobicContact CE2-CG2 3.72Å; T68-V70 HydrophobicContact CG2-CG2 4.4Å; V70-N77 WeakPolarHBondContact CA-OD1 3.49Å
71	N	92.8	Very high	91.4	Very high	11 Å²	11	65.4 Å²	65.4	6%	0.059	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	136.9	-176.5	-166.3	-0.4	0	0	0	110.1	D49 E51 I69 L73 N74 H76 N77	D49-N71 PolarHBondContact O-ND2 2.92Å; D49-N71 PolarHBondContact O-OD1 3.39Å; E51-N71 PolarHBondContact N-OD1 2.79Å; E51-N71 PolarHBondContact O-OD1 2.77Å; I69-N71 PolarHBondContact O-N 3.49Å; N71-L73 WeakPolarHBondContact OD1-CB 3.44Å; N71-L73 PolarHBondContact OD1-N 3.48Å; N71-N74 PolarHBondContact ND2-ND2 3.44Å; N71-N74 PolarHBondContact ND2-OD1 2.86Å; N71-H76 WeakPolarHBondContact CB-O 3.32Å; N71-H76 PolarHBondContact ND2-O 3.43Å; N71-N77 PolarHBondContact N-OD1 3.13Å
72	R	90.8	Very high	91.4	Very high	157 Å²	157	66.2 Å²	66.2	59%	0.592	34%	0.338	S	S	*	.	S	Bend	trans	-97.2	-15.5	175.6	-64	180	-175.3	174.7	3.5	112.3	G31 E51 T53	G31-R72 PolarHBondContact O-NH2 2.86Å; E51-R72 PolarHBondContact O-N 3.26Å; T53-R72 PolarHBondContact OG1-NH2 2.86Å
73	L	87.9	Confident	91.4	Very high	113 Å²	113	64.8 Å²	64.8	59%	0.592	32%	0.323	S	S	*	.	S	Bend	trans	-86	-34.3	-177.8	-58.1	-179.4	0	0	0	112.2	E51 N71	E51-L73 HydrophobicContact CB-CD1 3.91Å; E51-L73 HydrophobicContact CB-CG 4.31Å; N71-L73 WeakPolarHBondContact OD1-CB 3.44Å; N71-L73 PolarHBondContact OD1-N 3.48Å
74	N	89.5	Confident	91	Very high	51 Å²	51	73 Å²	73	27%	0.273	36%	0.355	S	S	.	.	S	Bend	trans	-154.9	-175.4	179.6	64.8	48.7	0	0	0	111.3	D49 N71 H76	D49-N74 PolarHBondContact OD2-ND2 2.86Å; N71-N74 PolarHBondContact ND2-ND2 3.44Å; N71-N74 PolarHBondContact ND2-OD1 2.86Å; N74-H76 VanDerWaalsContact C-N 3.32Å; N74-H76 WeakPolarHBondContact OD1-CA 3.48Å; N74-H76 VanDerWaalsContact OD1-CB 3.22Å; N74-H76 WeakPolarHBondContact OD1-CB 2.91Å; N74-H76 PolarHBondContact OD1-N 3.46Å
75	M	87.2	Confident	90.6	Very high	182 Å²	182	70.8 Å²	70.8	90%	0.897	35%	0.353	S	S	*	.	S	Bend	trans	-86.1	3.1	-178.2	-62.2	-171	-67.4	0	0	114.3	N77	M75-N77 PolarHBondContact O-N 3.09Å
76	H	90.7	Very high	90.3	Very high	133 Å²	133	67.4 Å²	67.4	62%	0.616	34%	0.338	S	S	*	.			trans	-89.4	98.4	177.7	-60.3	-70.8	0	0	0	110	N71 N74	N71-H76 WeakPolarHBondContact CB-O 3.32Å; N71-H76 PolarHBondContact ND2-O 3.43Å; N74-H76 VanDerWaalsContact C-N 3.32Å; N74-H76 WeakPolarHBondContact OD1-CA 3.48Å; N74-H76 VanDerWaalsContact OD1-CB 3.22Å; N74-H76 WeakPolarHBondContact OD1-CB 2.91Å; N74-H76 PolarHBondContact OD1-N 3.46Å
77	N	91.1	Very high	90.2	Very high	60 Å²	60	72.2 Å²	72.2	32%	0.321	36%	0.36	S	S	.	.			trans	-87.1	148.7	175.7	-61.4	-30.9	0	0	0	110.7	I69 V70 N71 M75	I69-N77 WeakPolarHBondContact O-CA 3.29Å; I69-N77 WeakPolarHBondContact O-CB 3.48Å; V70-N77 WeakPolarHBondContact CA-OD1 3.49Å; N71-N77 PolarHBondContact N-OD1 3.13Å; M75-N77 PolarHBondContact O-N 3.09Å
78	L	92	Very high	90	Very high	19 Å²	19	75.7 Å²	75.7	10%	0.099	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.5	166.6	-176.2	71	0	0	0	108.6	L35 I50 F67 T68 I69 E80	L35-L78 HydrophobicContact CD1-CD2 4.16Å; L35-L78 HydrophobicContact CD2-CD1 4.19Å; L35-L78 HydrophobicContact CD2-CD2 4.07Å; I50-L78 HydrophobicContact CD1-CB 4.18Å; I50-L78 HydrophobicContact CG2-CB 4.35Å; F67-L78 HydrophobicContact CE2-CD2 3.94Å; T68-L78 CarbonylContact C-O 3.48Å; T68-L78 WeakPolarHBondContact CA-O 3.47Å; T68-L78 VanDerWaalsContact CB-O 3.27Å; T68-L78 WeakPolarHBondContact CB-O 3.39Å; T68-L78 PolarHBondContact OG1-O 3.48Å; I69-L78 HydrophobicContact CB-CB 3.95Å; I69-L78 HydrophobicContact CD1-CB 4.4Å; I69-L78 HydrophobicContact CD1-CD2 3.67Å; I69-L78 HydrophobicContact CG1-CB 4.24Å; I69-L78 HydrophobicContact CG1-CD2 4.06Å; I69-L78 PolarHBondContact N-O 3.48Å; I69-L78 PolarHBondContact O-N 2.82Å; L78-E80 HydrophobicContact CD1-CG 3.94Å; L78-E80 HydrophobicContact CD2-CG 3.97Å; L78-E80 HydrophobicContact CG-CG 3.85Å
79	V	91.9	Very high	89.8	Confident	89 Å²	89	80.4 Å²	80.4	54%	0.539	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	113.6	170	178.7	0	0	0	0	107.5
80	E	91.3	Very high	89.7	Confident	26 Å²	26	85.7 Å²	85.7	12%	0.121	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.7	-178.1	-74.7	-66.5	157.4	0	0	110.1	G66 F67 L78 Y97 N99	G66-E80 WeakPolarHBondContact CA-O 3.23Å; F67-E80 HydrophobicContact CD1-CB 4.12Å; F67-E80 HydrophobicContact CD2-CB 4.15Å; F67-E80 HydrophobicContact CE1-CB 3.57Å; F67-E80 HydrophobicContact CE1-CG 4.44Å; F67-E80 HydrophobicContact CE2-CB 3.63Å; F67-E80 HydrophobicContact CE2-CG 3.91Å; F67-E80 HydrophobicContact CG-CB 4.4Å; F67-E80 HydrophobicContact CZ-CB 3.32Å; F67-E80 HydrophobicContact CZ-CG 3.73Å; F67-E80 PolarHBondContact N-O 3.25Å; F67-E80 PolarHBondContact O-N 3.1Å; L78-E80 HydrophobicContact CD1-CG 3.94Å; L78-E80 HydrophobicContact CD2-CG 3.97Å; L78-E80 HydrophobicContact CG-CG 3.85Å; E80-Y97 HydrophobicContact CG-CE2 4.21Å; E80-N99 VanDerWaalsContact CD-ND2 3.32Å; E80-N99 PolarHBondContact OE1-ND2 2.76Å; E80-N99 PolarHBondContact OE2-ND2 3.12Å
81	P	90.9	Very high	89.6	Confident	53 Å²	53	88.1 Å²	88.1	34%	0.344	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.9	173.3	28.8	-31.6	0	0	0	110.8	P63 N83	P63-P81 HydrophobicContact CB-CB 4.05Å; P63-P81 HydrophobicContact CG-CB 3.39Å; P81-N83 PolarHBondContact O-N 2.95Å
82	V	89.9	Confident	89.3	Confident	49 Å²	49	95.6 Å²	95.6	30%	0.297	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	99.6	171.3	179.2	0	0	0	0	108.3	H65 F67 L86	H65-V82 HydrophobicContact CB-CB 3.85Å; H65-V82 HydrophobicContact CB-CG1 4.27Å; H65-V82 HydrophobicContact CB-CG2 4.41Å; H65-V82 WeakPolarHBondContact O-CB 3.35Å; H65-V82 PolarHBondContact O-N 3.32Å; F67-V82 HydrophobicContact CD1-CG2 4Å; V82-L86 HydrophobicContact CB-CD2 4.16Å; V82-L86 HydrophobicContact CG1-CD2 4.22Å; V82-L86 HydrophobicContact CG2-CD2 3.91Å
83	N	87.1	Confident	89.3	Confident	64 Å²	64	93.5 Å²	93.5	34%	0.342	47%	0.474	S	S	.	.			trans	-116.6	-176.3	176.9	68.4	12.1	0	0	0	110.9	P81 D85 L86	P81-N83 PolarHBondContact O-N 2.95Å; N83-D85 PolarHBondContact O-N 3.28Å; N83-D85 PolarHBondContact OD1-N 3.46Å; N83-D85 VanDerWaalsContact OD1-N 3.11Å; N83-L86 PolarHBondContact O-N 3.01Å; N83-L86 PolarHBondContact OD1-N 3.31Å; N83-L86 VanDerWaalsContact OD1-N 3.12Å
84	K	83.8	Confident	89.4	Confident	209 Å²	209	94.5 Å²	94.5	91%	0.909	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.7	-178.2	-64.8	-178.2	-179.2	178.6	0	113.5	L86	K84-L86 VanDerWaalsContact C-N 3.31Å
85	D	84.7	Confident	89.6	Confident	101 Å²	101	97.2 Å²	97.2	54%	0.54	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.4	-177.8	-47.6	-52.5	0	0	0	111.5	N83 E87 A100	N83-D85 PolarHBondContact O-N 3.28Å; N83-D85 PolarHBondContact OD1-N 3.46Å; N83-D85 VanDerWaalsContact OD1-N 3.11Å; D85-E87 PolarHBondContact O-N 3.48Å; D85-A100 HydrophobicContact CB-CB 4.12Å
86	L	86.9	Confident	89.8	Confident	15 Å²	15	90.9 Å²	90.9	8%	0.079	46%	0.457	C	S	.	.			trans	-81	107.4	178.7	-168.7	65.6	0	0	0	109.9	F67 V82 N83 K84 F88 Y97 R98 N99	F67-L86 HydrophobicContact CE1-CD2 4.14Å; V82-L86 HydrophobicContact CB-CD2 4.16Å; V82-L86 HydrophobicContact CG1-CD2 4.22Å; V82-L86 HydrophobicContact CG2-CD2 3.91Å; N83-L86 PolarHBondContact O-N 3.01Å; N83-L86 PolarHBondContact OD1-N 3.31Å; N83-L86 VanDerWaalsContact OD1-N 3.12Å; K84-L86 VanDerWaalsContact C-N 3.31Å; L86-F88 HydrophobicContact CB-CE2 4.39Å; L86-F88 HydrophobicContact CD1-CZ 4.42Å; L86-F88 HydrophobicContact CD2-CE1 4.1Å; L86-F88 HydrophobicContact CD2-CE2 3.47Å; L86-F88 VanDerWaalsContact CD2-CE2 3.47Å; L86-F88 HydrophobicContact CD2-CZ 3.18Å; L86-F88 HydrophobicContact CG-CD2 4.32Å; L86-F88 HydrophobicContact CG-CE1 4.25Å; L86-F88 HydrophobicContact CG-CE2 3.59Å; L86-F88 HydrophobicContact CG-CZ 3.58Å; L86-Y97 HydrophobicContact CD1-CD2 3.77Å; L86-Y97 HydrophobicContact CD1-CG 4.48Å; L86-R98 WeakPolarHBondContact CA-O 3.36Å; L86-R98 WeakPolarHBondContact CD1-O 3.35Å; L86-N99 HydrophobicContact CD1-CB 4.07Å
87	E	89.8	Confident	89.9	Confident	102 Å²	102	87.7 Å²	87.7	48%	0.477	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.5	175.2	-64.2	179.9	161.1	0	0	109.7	D85 Y97 R98	D85-E87 PolarHBondContact O-N 3.48Å; E87-Y97 CarbonylContact O-C 3.55Å; E87-Y97 WeakPolarHBondContact O-CA 3.35Å; E87-R98 HydrophobicContact CB-CB 4.46Å; E87-R98 PolarHBondContact N-O 3.16Å; E87-R98 VanDerWaalsContact N-O 3.07Å; E87-R98 PolarHBondContact O-N 3.38Å; E87-R98 IonicContact OE2-NH1 3.88Å; E87-R98 PolarHBondContact OE2-NH1 2.95Å; E87-R98 VanDerWaalsContact OE2-NH1 3.16Å
88	F	89.8	Confident	89.8	Confident	93 Å²	93	91.8 Å²	91.8	41%	0.408	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.9	175.3	-64.9	-81.9	0	0	0	111	F67 L86 L95 L96	F67-F88 HydrophobicContact CE1-CE1 4.37Å; F67-F88 HydrophobicContact CE1-CZ 4.29Å; L86-F88 HydrophobicContact CB-CE2 4.39Å; L86-F88 HydrophobicContact CD1-CZ 4.42Å; L86-F88 HydrophobicContact CD2-CE1 4.1Å; L86-F88 HydrophobicContact CD2-CE2 3.47Å; L86-F88 VanDerWaalsContact CD2-CE2 3.47Å; L86-F88 HydrophobicContact CD2-CZ 3.18Å; L86-F88 HydrophobicContact CG-CD2 4.32Å; L86-F88 HydrophobicContact CG-CE1 4.25Å; L86-F88 HydrophobicContact CG-CE2 3.59Å; L86-F88 HydrophobicContact CG-CZ 3.58Å; F88-L95 HydrophobicContact CB-CD1 4.41Å; F88-L95 HydrophobicContact CD1-CD1 4.2Å; F88-L95 HydrophobicContact CD1-CD2 4.34Å; F88-L95 HydrophobicContact CD1-CG 4.39Å; F88-L96 WeakPolarHBondContact CA-O 3.37Å
89	Q	91.4	Very high	89.4	Confident	105 Å²	105	92.2 Å²	92.2	49%	0.491	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.4	169.5	-61	-175.2	16.4	0	0	109.3	H91 L96	Q89-H91 PolarHBondContact OE1-NE2 3.43Å; Q89-L96 HydrophobicContact CB-CB 4.4Å; Q89-L96 PolarHBondContact N-O 3.32Å; Q89-L96 PolarHBondContact O-N 2.95Å
90	L	91.1	Very high	88.3	Confident	119 Å²	119	91.3 Å²	91.3	62%	0.623	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.8	172.4	-175	66	0	0	0	108.5	E92	L90-E92 HydrophobicContact CD1-CG 4.45Å; L90-E92 HydrophobicContact CD2-CG 4.17Å; L90-E92 HydrophobicContact CG-CG 4.07Å
91	H	90.8	Very high	86.9	Confident	99 Å²	99	95.1 Å²	95.1	46%	0.458	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	85	170.4	-71	-119	0	0	0	106.7	Q89 F94 L96	Q89-H91 PolarHBondContact OE1-NE2 3.43Å; H91-F94 CarbonylContact C-O 3.31Å; H91-F94 VanDerWaalsContact C-O 3.31Å; H91-F94 PolarHBondContact N-O 3.34Å; H91-F94 WeakPolarHBondContact O-CA 3.35Å; H91-F94 PolarHBondContact O-N 3.05Å; H91-L96 HydrophobicContact CB-CD1 3.66Å
92	E	87.7	Confident	84.7	Confident	168 Å²	168	100.3 Å²	100.3	79%	0.785	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	130.8	-173.1	-67	-171.8	170.2	0	0	111.5	L90	L90-E92 HydrophobicContact CD1-CG 4.45Å; L90-E92 HydrophobicContact CD2-CG 4.17Å; L90-E92 HydrophobicContact CG-CG 4.07Å
93	P	89.8	Confident	84.4	Confident	114 Å²	114	102.9 Å²	102.9	74%	0.74	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91	12.2	10	37	-37.6	0	0	0	115.6
94	F	91	Very high	84.3	Confident	134 Å²	134	104.9 Å²	104.9	59%	0.588	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.1	-171.7	-55.2	-77.3	0	0	0	113.4	H91 L96	H91-F94 CarbonylContact C-O 3.31Å; H91-F94 VanDerWaalsContact C-O 3.31Å; H91-F94 PolarHBondContact N-O 3.34Å; H91-F94 WeakPolarHBondContact O-CA 3.35Å; H91-F94 PolarHBondContact O-N 3.05Å; F94-L96 HydrophobicContact CB-CD1 4.14Å
95	L	92	Very high	84.3	Confident	108 Å²	108	99.2 Å²	99.2	57%	0.565	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.4	166.4	-179.9	66	0	0	0	108.7	F88	F88-L95 HydrophobicContact CB-CD1 4.41Å; F88-L95 HydrophobicContact CD1-CD1 4.2Å; F88-L95 HydrophobicContact CD1-CD2 4.34Å; F88-L95 HydrophobicContact CD1-CG 4.39Å
96	L	92.6	Very high	84.3	Confident	48 Å²	48	99.1 Å²	99.1	25%	0.251	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.1	173	-68.1	74.9	0	0	0	108.1	W45 F88 Q89 H91 F94	W45-L96 HydrophobicContact CH2-CD2 4.31Å; W45-L96 HydrophobicContact CH2-CG 4.39Å; W45-L96 HydrophobicContact CZ2-CD2 3.89Å; W45-L96 HydrophobicContact CZ2-CG 4.35Å; F88-L96 WeakPolarHBondContact CA-O 3.37Å; Q89-L96 HydrophobicContact CB-CB 4.4Å; Q89-L96 PolarHBondContact N-O 3.32Å; Q89-L96 PolarHBondContact O-N 2.95Å; H91-L96 HydrophobicContact CB-CD1 3.66Å; F94-L96 HydrophobicContact CB-CD1 4.14Å
97	Y	92.1	Very high	84.1	Confident	66 Å²	66	104.3 Å²	104.3	26%	0.259	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.1	169.5	75.5	-85.9	0	0	0	110.4	L35 F67 E80 L86 E87	L35-Y97 HydrophobicContact CD1-CE1 3.91Å; L35-Y97 WeakPolarHBondContact CD1-OH 3.45Å; F67-Y97 HydrophobicContact CZ-CE1 4.42Å; F67-Y97 HydrophobicContact CZ-CE2 4.38Å; E80-Y97 HydrophobicContact CG-CE2 4.21Å; L86-Y97 HydrophobicContact CD1-CD2 3.77Å; L86-Y97 HydrophobicContact CD1-CG 4.48Å; E87-Y97 CarbonylContact O-C 3.55Å; E87-Y97 WeakPolarHBondContact O-CA 3.35Å
98	R	88.8	Confident	83.8	Confident	146 Å²	146	104.5 Å²	104.5	55%	0.551	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.2	125.4	171.2	-179.4	-172.9	-69.3	157.8	-8.8	107.9	L86 E87	L86-R98 WeakPolarHBondContact CA-O 3.36Å; L86-R98 WeakPolarHBondContact CD1-O 3.35Å; E87-R98 HydrophobicContact CB-CB 4.46Å; E87-R98 PolarHBondContact N-O 3.16Å; E87-R98 VanDerWaalsContact N-O 3.07Å; E87-R98 PolarHBondContact O-N 3.38Å; E87-R98 IonicContact OE2-NH1 3.88Å; E87-R98 PolarHBondContact OE2-NH1 2.95Å; E87-R98 VanDerWaalsContact OE2-NH1 3.16Å
99	N	83.6	Confident	83.3	Confident	28 Å²	28	105.3 Å²	105.3	15%	0.15	56%	0.563	C	S	.	*			trans	-102.3	170.7	171.2	67.2	12.6	0	0	0	110.4	E80 L86 S101	E80-N99 VanDerWaalsContact CD-ND2 3.32Å; E80-N99 PolarHBondContact OE1-ND2 2.76Å; E80-N99 PolarHBondContact OE2-ND2 3.12Å; L86-N99 HydrophobicContact CD1-CB 4.07Å; N99-S101 PolarHBondContact O-N 3.37Å; N99-S101 VanDerWaalsContact O-N 3.11Å; N99-S101 WeakPolarHBondContact OD1-CB 3.34Å; N99-S101 PolarHBondContact OD1-N 3.02Å
100	A	70	Confident	82.7	Confident	71 Å²	71	105.3 Å²	105.3	59%	0.587	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-1.5	179.8	0	0	0	0	0	114.3	D85 C102	D85-A100 HydrophobicContact CB-CB 4.12Å; A100-C102 VanDerWaalsContact C-N 3.31Å
101	S	61.3	Low	82	Confident	106 Å²	106	104.2 Å²	104.2	74%	0.741	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	8.6	-175.1	-48.4	0	0	0	0	113.3	N99	N99-S101 PolarHBondContact O-N 3.37Å; N99-S101 VanDerWaalsContact O-N 3.11Å; N99-S101 WeakPolarHBondContact OD1-CB 3.34Å; N99-S101 PolarHBondContact OD1-N 3.02Å
102	C	44.8	Very low	81.2	Confident	162 Å²	162	104.6 Å²	104.6	100%	1.095	57%	0.574	S	S	*	*			trans	-94.6	0	179	-73	0	0	0	0	112.5	A100	A100-C102 VanDerWaalsContact C-N 3.31Å

Retrieved 102 of 102 residues in 120.5 ms (Link to these results)

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