A0A096NIL5_PAPAN Loading...

Cystatin-B

This is an intracellular thiol proteinase inhibitor. Tightly binding reversible inhibitor of cathepsins L, H and B.

AlphaFold DB , UniProt , Accession A0A096NIL5, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 98 aa.

						>A0A096NIL5_PAPAN|A0A096NIL5
MMCGAPSAVQPATAETQDIADQVRSQLEEKENKKFPVFKAVSFKSQVVAGTNYFIKVHVGDEDFVHLRVFKSLPHENKPLTLSDYQTNKAKHDELSYF
					

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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	50.9	Low	82.4	Confident	241 Å²	241	97.9 Å²	97.9	100%	1.187	60%	0.598	S	S	*	*				0	123.6	0	-70.5	175.9	175.9	0	0	107.3
2	M	56.3	Low	83.7	Confident	172 Å²	172	92.3 Å²	92.3	85%	0.847	57%	0.57	S	S	*	*			trans	-83	117.2	171.8	-81.9	177.9	170.8	0	0	108.1	G4	M2-G4 PolarHBondContact O-N 3.07Å
3	C	61.6	Low	84.8	Confident	132 Å²	132	90.6 Å²	90.6	89%	0.892	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	132.2	173.9	-61.9	0	0	0	0	109.4
4	G	74.6	Confident	85.8	Confident	36 Å²	36	90.4 Å²	90.4	37%	0.371	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	90.5	-4.8	173.8	0	0	0	0	0	116.9	M2 Q46	M2-G4 PolarHBondContact O-N 3.07Å; G4-Q46 WeakPolarHBondContact O-CG 3.34Å; G4-Q46 PolarHBondContact O-NE2 3.45Å
5	A	87.9	Confident	86.6	Confident	57 Å²	57	91.5 Å²	91.5	47%	0.471	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-87.9	138.3	170.4	0	0	0	0	0	111
6	P	91.6	Very high	87.3	Confident	48 Å²	48	85.9 Å²	85.9	31%	0.312	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-60.2	147	169.4	-22.2	33.5	0	0	0	112.1	K44 S45 Q46 F54	P6-K44 HydrophobicContact CB-CB 4.4Å; P6-K44 HydrophobicContact CB-CD 4.3Å; P6-S45 CarbonylContact C-O 3.55Å; P6-S45 WeakPolarHBondContact CA-O 3.37Å; P6-Q46 HydrophobicContact CB-CB 4.41Å; P6-Q46 HydrophobicContact CG-CB 4.35Å; P6-Q46 HydrophobicContact CG-CG 4.41Å; P6-F54 HydrophobicContact CG-CE2 4.31Å
7	S	94.7	Very high	88	Confident	40 Å²	40	83.6 Å²	83.6	28%	0.28	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-65.6	171.9	171.9	66.4	0	0	0	0	112.1	K44 S45	S7-K44 VanDerWaalsContact O-CD 3.29Å; S7-K44 WeakPolarHBondContact O-CD 3.44Å; S7-K44 WeakPolarHBondContact O-CG 3.33Å; S7-S45 PolarHBondContact N-O 3.07Å; S7-S45 PolarHBondContact OG-N 2.72Å; S7-S45 PolarHBondContact OG-O 2.95Å; S7-S45 PolarHBondContact OG-OG 2.72Å
8	A	95.4	Very high	88.6	Confident	78 Å²	78	83.7 Å²	83.7	65%	0.645	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-63.4	157.3	166.7	0	0	0	0	0	111	Q10	A8-Q10 PolarHBondContact O-N 3.08Å
9	V	97.2	Very high	89.1	Confident	79 Å²	79	79.5 Å²	79.5	48%	0.479	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-58.8	133.5	172.7	163.9	0	0	0	0	110.1	K44 L95	V9-K44 HydrophobicContact CG2-CD 4.24Å; V9-K44 HydrophobicContact CG2-CG 4.01Å; V9-L95 HydrophobicContact CG2-CB 4.49Å
10	Q	97.8	Very high	89.6	Confident	90 Å²	90	75.6 Å²	75.6	42%	0.421	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.2	173.1	-64.3	179.8	-49.1	0	0	110	A8 S42 F43	A8-Q10 PolarHBondContact O-N 3.08Å; Q10-S42 CarbonylContact O-C 3.47Å; Q10-S42 WeakPolarHBondContact O-CA 3.26Å; Q10-S42 VanDerWaalsContact O-CB 3.31Å; Q10-S42 WeakPolarHBondContact O-CB 3.13Å; Q10-F43 HydrophobicContact CB-CD1 4.15Å; Q10-F43 HydrophobicContact CB-CE1 3.7Å; Q10-F43 HydrophobicContact CB-CZ 3.97Å; Q10-F43 PolarHBondContact N-O 3.16Å; Q10-F43 PolarHBondContact O-N 3.16Å; Q10-F43 VanDerWaalsContact OE1-CZ 3.24Å
11	P	98.4	Very high	90	Very high	104 Å²	104	75.4 Å²	75.4	68%	0.675	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	144.9	171.7	28	-34.3	0	0	0	110.4	F43	P11-F43 VanDerWaalsContact O-CE1 3.26Å; P11-F43 WeakPolarHBondContact O-CE1 3.47Å
12	A	98.1	Very high	92.2	Very high	31 Å²	31	68.7 Å²	68.7	26%	0.256	42%	0.422	S	S	.	.			trans	-62.9	142.4	178.3	0	0	0	0	0	111.7	T16 A40 V41	A12-T16 HydrophobicContact CB-CG2 4.01Å; A12-A40 VanDerWaalsContact CB-C 3.45Å; A12-A40 HydrophobicContact CB-CB 3.69Å; A12-A40 WeakPolarHBondContact CB-O 3.23Å; A12-V41 VanDerWaalsContact CB-C 3.49Å; A12-V41 PolarHBondContact N-O 3.24Å
13	T	98.1	Very high	94.2	Very high	70 Å²	70	60.5 Å²	60.5	43%	0.429	38%	0.382	S	S	.	.			trans	-109.4	177	175.5	67.3	0	0	0	0	110.6	E15 T16 Q17 F43	T13-E15 VanDerWaalsContact C-N 3.28Å; T13-E15 PolarHBondContact O-N 3.27Å; T13-E15 PolarHBondContact OG1-N 2.78Å; T13-T16 PolarHBondContact N-OG1 2.81Å; T13-T16 VanDerWaalsContact N-OG1 3.13Å; T13-T16 WeakPolarHBondContact O-CB 3.36Å; T13-T16 PolarHBondContact O-N 3.3Å; T13-T16 PolarHBondContact OG1-N 2.82Å; T13-T16 PolarHBondContact OG1-OG1 2.97Å; T13-Q17 PolarHBondContact O-N 2.69Å; T13-F43 HydrophobicContact CG2-CE1 4.41Å
14	A	98.4	Very high	96	Very high	88 Å²	88	57.5 Å²	57.5	73%	0.727	35%	0.352	S	S	*	.	H	α-helix	trans	-58.6	-38.3	172	0	0	0	0	0	112.5	Q17 D18	A14-Q17 PolarHBondContact O-N 2.9Å; A14-D18 PolarHBondContact O-N 3.03Å
15	E	97.8	Very high	97.1	Very high	107 Å²	107	59.3 Å²	59.3	50%	0.5	36%	0.359	S	S	.	.	H	α-helix	trans	-65.5	-41	174.9	-176.4	-179.7	-174	0	0	111.1	T13 Q17 D18 I19 K71	T13-E15 VanDerWaalsContact C-N 3.28Å; T13-E15 PolarHBondContact O-N 3.27Å; T13-E15 PolarHBondContact OG1-N 2.78Å; E15-Q17 VanDerWaalsContact C-N 3.3Å; E15-Q17 PolarHBondContact O-N 2.82Å; E15-D18 PolarHBondContact O-N 3.32Å; E15-I19 HydrophobicContact CG-CD1 4.04Å; E15-I19 VanDerWaalsContact O-CG1 3.26Å; E15-I19 WeakPolarHBondContact O-CG1 3.36Å; E15-I19 PolarHBondContact O-N 3.4Å; E15-K71 IonicContact OE1-NZ 3.48Å; E15-K71 PolarHBondContact OE1-NZ 3.06Å
16	T	98.3	Very high	97.6	Very high	2 Å²	2	59 Å²	59	1%	0.012	35%	0.348	C	S	.	.	H	α-helix	trans	-61.8	-40.7	176.7	-45.4	0	0	0	0	111.8	A12 T13 A20 A40 F43 I55	A12-T16 HydrophobicContact CB-CG2 4.01Å; T13-T16 PolarHBondContact N-OG1 2.81Å; T13-T16 VanDerWaalsContact N-OG1 3.13Å; T13-T16 WeakPolarHBondContact O-CB 3.36Å; T13-T16 PolarHBondContact O-N 3.3Å; T13-T16 PolarHBondContact OG1-N 2.82Å; T13-T16 PolarHBondContact OG1-OG1 2.97Å; T16-A20 PolarHBondContact O-N 3.11Å; T16-A20 VanDerWaalsContact O-N 3.08Å; T16-A40 HydrophobicContact CG2-CB 4.21Å; T16-F43 HydrophobicContact CG2-CB 3.71Å; T16-F43 HydrophobicContact CG2-CD1 3.86Å; T16-F43 HydrophobicContact CG2-CG 3.86Å; T16-F43 WeakPolarHBondContact OG1-CD1 3.42Å; T16-F43 WeakPolarHBondContact OG1-CE1 3.19Å; T16-I55 HydrophobicContact CG2-CD1 4.12Å; T16-I55 HydrophobicContact CG2-CG1 4.18Å; T16-I55 HydrophobicContact CG2-CG2 3.81Å
17	Q	98.8	Very high	97.9	Very high	47 Å²	47	56.7 Å²	56.7	22%	0.22	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-46.8	176.4	-178.2	62.3	57.2	0	0	110.9	T13 A14 E15 I19 A20 D21 F38 A40	T13-Q17 PolarHBondContact O-N 2.69Å; A14-Q17 PolarHBondContact O-N 2.9Å; E15-Q17 VanDerWaalsContact C-N 3.3Å; E15-Q17 PolarHBondContact O-N 2.82Å; Q17-I19 VanDerWaalsContact C-N 3.33Å; Q17-I19 PolarHBondContact O-N 2.84Å; Q17-A20 WeakPolarHBondContact O-CB 3.26Å; Q17-A20 PolarHBondContact O-N 2.83Å; Q17-A20 VanDerWaalsContact O-N 3.09Å; Q17-D21 WeakPolarHBondContact CG-OD2 3.25Å; Q17-D21 PolarHBondContact NE2-OD1 3.3Å; Q17-D21 PolarHBondContact NE2-OD2 2.97Å; Q17-D21 PolarHBondContact O-N 2.92Å; Q17-F38 PolarHBondContact NE2-O 2.95Å; Q17-A40 HydrophobicContact CB-CB 4.43Å
18	D	98.5	Very high	98.1	Very high	84 Å²	84	55.8 Å²	55.8	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-43.3	176.9	-177.6	75.8	0	0	0	112.1	A14 E15 A20 D21 Q22	A14-D18 PolarHBondContact O-N 3.03Å; E15-D18 PolarHBondContact O-N 3.32Å; D18-A20 VanDerWaalsContact C-N 3.32Å; D18-A20 PolarHBondContact O-N 3.44Å; D18-D21 PolarHBondContact O-N 3.1Å; D18-Q22 WeakPolarHBondContact O-CG 3.47Å; D18-Q22 PolarHBondContact O-N 2.88Å; D18-Q22 PolarHBondContact OD2-NE2 2.83Å
19	I	98.4	Very high	98.2	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-45.1	174.3	-69.9	167.3	0	0	0	111	E15 Q17 V23 Y53 I55 V69 L80	E15-I19 HydrophobicContact CG-CD1 4.04Å; E15-I19 VanDerWaalsContact O-CG1 3.26Å; E15-I19 WeakPolarHBondContact O-CG1 3.36Å; E15-I19 PolarHBondContact O-N 3.4Å; Q17-I19 VanDerWaalsContact C-N 3.33Å; Q17-I19 PolarHBondContact O-N 2.84Å; I19-V23 PolarHBondContact O-N 2.89Å; I19-Y53 HydrophobicContact CD1-CD1 4.13Å; I19-Y53 HydrophobicContact CD1-CD2 4.12Å; I19-Y53 HydrophobicContact CD1-CE1 3.96Å; I19-Y53 HydrophobicContact CD1-CE2 3.96Å; I19-Y53 HydrophobicContact CD1-CG 4.21Å; I19-I55 HydrophobicContact CB-CD1 4.22Å; I19-I55 HydrophobicContact CG2-CD1 3.63Å; I19-V69 HydrophobicContact CG2-CB 4.01Å; I19-V69 HydrophobicContact CG2-CG1 3.74Å; I19-V69 HydrophobicContact CG2-CG2 4.21Å; I19-L80 HydrophobicContact CB-CD1 4.15Å; I19-L80 HydrophobicContact CG1-CD1 3.96Å; I19-L80 HydrophobicContact CG2-CD1 4.07Å
20	A	98.6	Very high	98.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-45.8	179	0	0	0	0	0	111.1	T16 Q17 D18 Q22 V23 R24 F38 A40 I55 V57 L67	T16-A20 PolarHBondContact O-N 3.11Å; T16-A20 VanDerWaalsContact O-N 3.08Å; Q17-A20 WeakPolarHBondContact O-CB 3.26Å; Q17-A20 PolarHBondContact O-N 2.83Å; Q17-A20 VanDerWaalsContact O-N 3.09Å; D18-A20 VanDerWaalsContact C-N 3.32Å; D18-A20 PolarHBondContact O-N 3.44Å; A20-Q22 VanDerWaalsContact C-N 3.35Å; A20-Q22 PolarHBondContact O-N 2.85Å; A20-V23 VanDerWaalsContact O-CG2 3.24Å; A20-V23 WeakPolarHBondContact O-CG2 3.41Å; A20-V23 PolarHBondContact O-N 2.75Å; A20-R24 PolarHBondContact O-N 2.8Å; A20-F38 HydrophobicContact CB-CD1 4.41Å; A20-F38 HydrophobicContact CB-CE1 3.92Å; A20-F38 WeakPolarHBondContact O-CE1 3.29Å; A20-A40 HydrophobicContact CB-CB 4.48Å; A20-I55 HydrophobicContact CB-CD1 4.4Å; A20-V57 HydrophobicContact CB-CG2 4.18Å; A20-L67 HydrophobicContact CB-CD1 4.33Å
21	D	98.5	Very high	98.2	Very high	72 Å²	72	59.5 Å²	59.5	39%	0.385	32%	0.321	S	S	.	.	H	α-helix	trans	-63.4	-39.1	-178.8	-70.3	-33.9	0	0	0	112.2	Q17 D18 V23 R24	Q17-D21 WeakPolarHBondContact CG-OD2 3.25Å; Q17-D21 PolarHBondContact NE2-OD1 3.3Å; Q17-D21 PolarHBondContact NE2-OD2 2.97Å; Q17-D21 PolarHBondContact O-N 2.92Å; D18-D21 PolarHBondContact O-N 3.1Å; D21-V23 VanDerWaalsContact C-N 3.25Å; D21-V23 PolarHBondContact O-N 2.91Å; D21-R24 WeakPolarHBondContact O-CB 3.26Å; D21-R24 PolarHBondContact O-N 3.01Å
22	Q	98.1	Very high	98.1	Very high	101 Å²	101	61.8 Å²	61.8	47%	0.472	33%	0.328	S	S	.	.	H	α-helix	trans	-62.7	-29.4	176.8	-75.8	-170.8	54.9	0	0	113.6	D18 A20 L80	D18-Q22 WeakPolarHBondContact O-CG 3.47Å; D18-Q22 PolarHBondContact O-N 2.88Å; D18-Q22 PolarHBondContact OD2-NE2 2.83Å; A20-Q22 VanDerWaalsContact C-N 3.35Å; A20-Q22 PolarHBondContact O-N 2.85Å; Q22-L80 HydrophobicContact CB-CD1 4Å; Q22-L80 HydrophobicContact CG-CD1 4.4Å
23	V	98.4	Very high	98	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-99.3	-4.3	178.2	-59.8	0	0	0	0	113.9	I19 A20 D21 S25 Q26 L27 L67 V69 L80 L82	I19-V23 PolarHBondContact O-N 2.89Å; A20-V23 VanDerWaalsContact O-CG2 3.24Å; A20-V23 WeakPolarHBondContact O-CG2 3.41Å; A20-V23 PolarHBondContact O-N 2.75Å; D21-V23 VanDerWaalsContact C-N 3.25Å; D21-V23 PolarHBondContact O-N 2.91Å; V23-S25 VanDerWaalsContact C-N 3.27Å; V23-S25 PolarHBondContact O-N 3.17Å; V23-Q26 WeakPolarHBondContact O-CB 3.3Å; V23-Q26 PolarHBondContact O-N 2.94Å; V23-L27 PolarHBondContact O-N 2.89Å; V23-L67 HydrophobicContact CG2-CD1 3.93Å; V23-V69 HydrophobicContact CB-CG2 4.42Å; V23-V69 HydrophobicContact CG1-CG1 3.7Å; V23-V69 HydrophobicContact CG1-CG2 4.13Å; V23-V69 HydrophobicContact CG2-CG2 3.63Å; V23-L80 HydrophobicContact CG1-CB 3.96Å; V23-L82 HydrophobicContact CB-CB 4.18Å; V23-L82 HydrophobicContact CG2-CD1 4.42Å
24	R	98.4	Very high	97.9	Very high	68 Å²	68	68.6 Å²	68.6	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-56	-42.4	-177.6	178.4	-179.2	163.4	171.8	-8.3	112.2	A20 D21 Q26 L27 E28 F35 F38	A20-R24 PolarHBondContact O-N 2.8Å; D21-R24 WeakPolarHBondContact O-CB 3.26Å; D21-R24 PolarHBondContact O-N 3.01Å; R24-Q26 VanDerWaalsContact C-N 3.28Å; R24-Q26 PolarHBondContact O-N 3.4Å; R24-L27 WeakPolarHBondContact O-CB 3.31Å; R24-L27 PolarHBondContact O-N 3.28Å; R24-L27 VanDerWaalsContact O-N 3.15Å; R24-E28 HydrophobicContact CG-CG 4.29Å; R24-E28 IonicContact CZ-OE1 3.12Å; R24-E28 IonicContact NE-OE1 2.76Å; R24-E28 PolarHBondContact NE-OE1 2.79Å; R24-E28 IonicContact NH2-OE1 3.65Å; R24-E28 PolarHBondContact NH2-OE1 2.98Å; R24-E28 VanDerWaalsContact NH2-OE1 3.12Å; R24-E28 WeakPolarHBondContact O-CG 3.18Å; R24-E28 PolarHBondContact O-N 3.4Å; R24-F35 PolarHBondContact NH1-O 3.43Å; R24-F35 PolarHBondContact NH2-O 2.9Å; R24-F38 HydrophobicContact CB-CD1 4.01Å; R24-F38 HydrophobicContact CB-CE1 3.74Å; R24-F38 HydrophobicContact CB-CZ 4.04Å; R24-F38 HydrophobicContact CG-CD1 3.98Å; R24-F38 HydrophobicContact CG-CD2 4.09Å; R24-F38 HydrophobicContact CG-CE1 4.01Å; R24-F38 HydrophobicContact CG-CE2 4.13Å; R24-F38 HydrophobicContact CG-CG 3.99Å; R24-F38 HydrophobicContact CG-CZ 4.06Å
25	S	97.9	Very high	97.8	Very high	74 Å²	74	64.8 Å²	64.8	52%	0.517	31%	0.313	S	S	.	.	H	α-helix	trans	-59.4	-39.3	177.8	53.9	0	0	0	0	112.3	V23 L27 E28 E29	V23-S25 VanDerWaalsContact C-N 3.27Å; V23-S25 PolarHBondContact O-N 3.17Å; S25-L27 VanDerWaalsContact C-N 3.33Å; S25-L27 PolarHBondContact O-N 2.66Å; S25-E28 PolarHBondContact O-N 3.45Å; S25-E29 WeakPolarHBondContact O-CB 3.49Å; S25-E29 PolarHBondContact O-N 3.13Å
26	Q	98.3	Very high	97.7	Very high	51 Å²	51	65.2 Å²	65.2	24%	0.238	33%	0.325	C	S	.	.	H	α-helix	trans	-64.8	-38.1	177.1	-56.8	176	41.7	0	0	111.2	V23 R24 K30 L80 L82	V23-Q26 WeakPolarHBondContact O-CB 3.3Å; V23-Q26 PolarHBondContact O-N 2.94Å; R24-Q26 VanDerWaalsContact C-N 3.28Å; R24-Q26 PolarHBondContact O-N 3.4Å; Q26-K30 VanDerWaalsContact O-CG 3.3Å; Q26-K30 WeakPolarHBondContact O-CG 3.37Å; Q26-K30 PolarHBondContact O-N 2.99Å; Q26-L80 PolarHBondContact NE2-O 3.2Å; Q26-L80 VanDerWaalsContact NE2-O 3.1Å; Q26-L82 HydrophobicContact CB-CB 3.99Å; Q26-L82 HydrophobicContact CB-CD2 4.22Å
27	L	98.3	Very high	97.6	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-47.2	174.6	-177.7	72.4	0	0	0	111.4	V23 R24 S25 E29 K30 E31 F35 F38 V65 L67 L82 Y85	V23-L27 PolarHBondContact O-N 2.89Å; R24-L27 WeakPolarHBondContact O-CB 3.31Å; R24-L27 PolarHBondContact O-N 3.28Å; R24-L27 VanDerWaalsContact O-N 3.15Å; S25-L27 VanDerWaalsContact C-N 3.33Å; S25-L27 PolarHBondContact O-N 2.66Å; L27-E29 VanDerWaalsContact C-N 3.27Å; L27-E29 PolarHBondContact O-N 3.47Å; L27-K30 PolarHBondContact O-N 3.12Å; L27-E31 HydrophobicContact CD1-CG 4.14Å; L27-E31 HydrophobicContact CG-CG 4.41Å; L27-E31 WeakPolarHBondContact O-CB 3.35Å; L27-E31 PolarHBondContact O-N 2.88Å; L27-F35 HydrophobicContact CB-CE2 4.47Å; L27-F35 HydrophobicContact CD2-CD2 3.9Å; L27-F35 HydrophobicContact CD2-CE2 3.43Å; L27-F35 VanDerWaalsContact CD2-CE2 3.43Å; L27-F35 HydrophobicContact CD2-CZ 3.74Å; L27-F35 HydrophobicContact CG-CD2 4.39Å; L27-F35 HydrophobicContact CG-CE2 3.6Å; L27-F35 HydrophobicContact CG-CZ 4.04Å; L27-F38 HydrophobicContact CD2-CE2 3.7Å; L27-F38 HydrophobicContact CD2-CZ 4.03Å; L27-V65 HydrophobicContact CD2-CG2 4.12Å; L27-L67 HydrophobicContact CD1-CD2 4.33Å; L27-L67 HydrophobicContact CD2-CD2 4Å; L27-L82 HydrophobicContact CB-CD2 3.77Å; L27-L82 HydrophobicContact CD1-CD2 4.08Å; L27-Y85 HydrophobicContact CD1-CD1 3.97Å; L27-Y85 HydrophobicContact CD1-CD2 3.35Å; L27-Y85 HydrophobicContact CD1-CE1 4.32Å; L27-Y85 HydrophobicContact CD1-CE2 3.74Å; L27-Y85 HydrophobicContact CD1-CG 3.46Å; L27-Y85 VanDerWaalsContact CD1-CG 3.46Å
28	E	98.3	Very high	97.6	Very high	20 Å²	20	66.4 Å²	66.4	9%	0.093	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-37.9	-179.9	-73.5	-175.9	166.1	0	0	112.2	R24 S25 N32 K33 K34 F35	R24-E28 HydrophobicContact CG-CG 4.29Å; R24-E28 IonicContact CZ-OE1 3.12Å; R24-E28 IonicContact NE-OE1 2.76Å; R24-E28 PolarHBondContact NE-OE1 2.79Å; R24-E28 IonicContact NH2-OE1 3.65Å; R24-E28 PolarHBondContact NH2-OE1 2.98Å; R24-E28 VanDerWaalsContact NH2-OE1 3.12Å; R24-E28 WeakPolarHBondContact O-CG 3.18Å; R24-E28 PolarHBondContact O-N 3.4Å; S25-E28 PolarHBondContact O-N 3.45Å; E28-N32 WeakPolarHBondContact O-CA 3.49Å; E28-N32 PolarHBondContact O-N 3.37Å; E28-K33 WeakPolarHBondContact CA-O 3.36Å; E28-K33 WeakPolarHBondContact CB-O 3.23Å; E28-K33 WeakPolarHBondContact CG-O 3.07Å; E28-K33 PolarHBondContact O-N 2.81Å; E28-K33 VanDerWaalsContact O-N 3.16Å; E28-K34 HydrophobicContact CB-CD 4.38Å; E28-K34 VanDerWaalsContact CD-CD 3.42Å; E28-K34 HydrophobicContact CG-CD 4.2Å; E28-K34 WeakPolarHBondContact OE2-CD 3.29Å; E28-K34 WeakPolarHBondContact OE2-CE 3.23Å; E28-K34 IonicContact OE2-NZ 3.44Å; E28-K34 PolarHBondContact OE2-NZ 2.95Å; E28-F35 HydrophobicContact CG-CD2 3.6Å; E28-F35 HydrophobicContact CG-CE2 4.14Å; E28-F35 PolarHBondContact OE1-N 3.16Å; E28-F35 VanDerWaalsContact OE1-N 3.16Å
29	E	98.1	Very high	97.6	Very high	161 Å²	161	68.6 Å²	68.6	75%	0.752	34%	0.339	S	S	*	.	H	α-helix	trans	-66.4	-47.1	174.9	-173.7	177.4	178.9	0	0	111.8	S25 L27 E31 N32	S25-E29 WeakPolarHBondContact O-CB 3.49Å; S25-E29 PolarHBondContact O-N 3.13Å; L27-E29 VanDerWaalsContact C-N 3.27Å; L27-E29 PolarHBondContact O-N 3.47Å; E29-E31 PolarHBondContact O-N 2.9Å; E29-N32 PolarHBondContact O-N 2.87Å
30	K	97.5	Very high	97.6	Very high	112 Å²	112	68.7 Å²	68.7	49%	0.487	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-36.7	179.5	-70.6	-176	-173.5	-169	0	113	Q26 L27 L82 Y85	Q26-K30 VanDerWaalsContact O-CG 3.3Å; Q26-K30 WeakPolarHBondContact O-CG 3.37Å; Q26-K30 PolarHBondContact O-N 2.99Å; L27-K30 PolarHBondContact O-N 3.12Å; K30-L82 PolarHBondContact NZ-O 3.44Å; K30-Y85 HydrophobicContact CB-CE1 4.09Å; K30-Y85 HydrophobicContact CD-CD1 4.32Å; K30-Y85 HydrophobicContact CD-CE1 3.57Å; K30-Y85 HydrophobicContact CG-CE1 4.49Å
31	E	96.8	Very high	97.6	Very high	52 Å²	52	71.7 Å²	71.7	24%	0.243	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.8	179.4	-69.7	-68.3	115	0	0	113.6	L27 E29 K33 F35 Y85 T87	L27-E31 HydrophobicContact CD1-CG 4.14Å; L27-E31 HydrophobicContact CG-CG 4.41Å; L27-E31 WeakPolarHBondContact O-CB 3.35Å; L27-E31 PolarHBondContact O-N 2.88Å; E29-E31 PolarHBondContact O-N 2.9Å; E31-K33 HydrophobicContact CB-CD 4.2Å; E31-K33 HydrophobicContact CB-CG 3.84Å; E31-K33 PolarHBondContact O-N 2.85Å; E31-K33 VanDerWaalsContact O-N 3.16Å; E31-K33 IonicContact OE2-NZ 3.03Å; E31-F35 HydrophobicContact CB-CE2 4.39Å; E31-F35 HydrophobicContact CB-CZ 4.26Å; E31-F35 HydrophobicContact CG-CZ 4.15Å; E31-Y85 HydrophobicContact CG-CE2 3.93Å; E31-Y85 WeakPolarHBondContact OE1-CE2 3.43Å; E31-Y85 VanDerWaalsContact OE1-CZ 3.32Å; E31-Y85 PolarHBondContact OE1-OH 2.75Å; E31-T87 HydrophobicContact CG-CG2 4.38Å
32	N	97.4	Very high	97.6	Very high	153 Å²	153	69 Å²	69	82%	0.818	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	40.7	-174	-167.9	34.9	0	0	0	113.2	E28 E29	E28-N32 WeakPolarHBondContact O-CA 3.49Å; E28-N32 PolarHBondContact O-N 3.37Å; E29-N32 PolarHBondContact O-N 2.87Å
33	K	96.1	Very high	97.6	Very high	90 Å²	90	65.1 Å²	65.1	39%	0.391	33%	0.327	S	S	.	.	S	Bend	trans	-151.9	163.6	-179.6	74.4	-171.1	-178.9	-175.4	0	111.6	E28 E31 F35	E28-K33 WeakPolarHBondContact CA-O 3.36Å; E28-K33 WeakPolarHBondContact CB-O 3.23Å; E28-K33 WeakPolarHBondContact CG-O 3.07Å; E28-K33 PolarHBondContact O-N 2.81Å; E28-K33 VanDerWaalsContact O-N 3.16Å; E31-K33 HydrophobicContact CB-CD 4.2Å; E31-K33 HydrophobicContact CB-CG 3.84Å; E31-K33 PolarHBondContact O-N 2.85Å; E31-K33 VanDerWaalsContact O-N 3.16Å; E31-K33 IonicContact OE2-NZ 3.03Å; K33-F35 HydrophobicContact CD-CE1 4.43Å; K33-F35 HydrophobicContact CD-CZ 4.25Å; K33-F35 HydrophobicContact CG-CE2 4.21Å; K33-F35 HydrophobicContact CG-CZ 4.05Å
34	K	96.3	Very high	97.6	Very high	153 Å²	153	66.3 Å²	66.3	67%	0.665	33%	0.332	S	S	*	.			trans	-100.6	146.6	176.2	-63.1	-56	-170	-174.5	0	111.2	E28 P36	E28-K34 HydrophobicContact CB-CD 4.38Å; E28-K34 VanDerWaalsContact CD-CD 3.42Å; E28-K34 HydrophobicContact CG-CD 4.2Å; E28-K34 WeakPolarHBondContact OE2-CD 3.29Å; E28-K34 WeakPolarHBondContact OE2-CE 3.23Å; E28-K34 IonicContact OE2-NZ 3.44Å; E28-K34 PolarHBondContact OE2-NZ 2.95Å; K34-P36 WeakPolarHBondContact O-CD 3.07Å
35	F	96.1	Very high	97.6	Very high	9 Å²	9	64.7 Å²	64.7	4%	0.039	33%	0.331	C	S	.	.			trans	-112	86	176.5	-63.8	-80.5	0	0	0	110.5	R24 L27 E28 E31 K33 V37 F38 V59 V65	R24-F35 PolarHBondContact NH1-O 3.43Å; R24-F35 PolarHBondContact NH2-O 2.9Å; L27-F35 HydrophobicContact CB-CE2 4.47Å; L27-F35 HydrophobicContact CD2-CD2 3.9Å; L27-F35 HydrophobicContact CD2-CE2 3.43Å; L27-F35 VanDerWaalsContact CD2-CE2 3.43Å; L27-F35 HydrophobicContact CD2-CZ 3.74Å; L27-F35 HydrophobicContact CG-CD2 4.39Å; L27-F35 HydrophobicContact CG-CE2 3.6Å; L27-F35 HydrophobicContact CG-CZ 4.04Å; E28-F35 HydrophobicContact CG-CD2 3.6Å; E28-F35 HydrophobicContact CG-CE2 4.14Å; E28-F35 PolarHBondContact OE1-N 3.16Å; E28-F35 VanDerWaalsContact OE1-N 3.16Å; E31-F35 HydrophobicContact CB-CE2 4.39Å; E31-F35 HydrophobicContact CB-CZ 4.26Å; E31-F35 HydrophobicContact CG-CZ 4.15Å; K33-F35 HydrophobicContact CD-CE1 4.43Å; K33-F35 HydrophobicContact CD-CZ 4.25Å; K33-F35 HydrophobicContact CG-CE2 4.21Å; K33-F35 HydrophobicContact CG-CZ 4.05Å; F35-V37 CarbonylContact C-O 3.57Å; F35-V37 CarbonylContact O-C 3.56Å; F35-V37 PolarHBondContact O-N 2.8Å; F35-V37 VanDerWaalsContact O-N 3.1Å; F35-F38 HydrophobicContact CB-CD2 3.8Å; F35-F38 HydrophobicContact CB-CE2 4.4Å; F35-F38 HydrophobicContact CD2-CE2 4.45Å; F35-F38 HydrophobicContact CG-CD2 4.28Å; F35-F38 HydrophobicContact CG-CE2 4.43Å; F35-V59 HydrophobicContact CB-CG1 4.49Å; F35-V59 HydrophobicContact CD1-CB 3.74Å; F35-V59 HydrophobicContact CD1-CG1 3.84Å; F35-V59 HydrophobicContact CD1-CG2 4.21Å; F35-V59 HydrophobicContact CE1-CB 4.39Å; F35-V59 HydrophobicContact CE1-CG1 4.37Å; F35-V59 HydrophobicContact CE1-CG2 4.44Å; F35-V59 HydrophobicContact CG-CG1 4.35Å; F35-V65 HydrophobicContact CE1-CG1 4.32Å
36	P	94.3	Very high	97.5	Very high	116 Å²	116	61.9 Å²	61.9	75%	0.753	31%	0.31	S	S	*	.	S	Bend	trans	-57.2	-31.7	-172.3	23.4	-33.9	0	0	0	113.2	K34	K34-P36 WeakPolarHBondContact O-CD 3.07Å
37	V	97.6	Very high	97.3	Very high	60 Å²	60	64.3 Å²	64.3	36%	0.364	33%	0.329	S	S	.	.			trans	-102.5	138.2	166.8	-179.4	0	0	0	0	108.4	F35 V59	F35-V37 CarbonylContact C-O 3.57Å; F35-V37 CarbonylContact O-C 3.56Å; F35-V37 PolarHBondContact O-N 2.8Å; F35-V37 VanDerWaalsContact O-N 3.1Å; V37-V59 VanDerWaalsContact O-CA 3.29Å; V37-V59 WeakPolarHBondContact O-CA 3.39Å
38	F	98.2	Very high	97	Very high	13 Å²	13	67.2 Å²	67.2	6%	0.057	35%	0.346	C	S	.	.			trans	-151.8	73.8	177.6	-153.8	-102.7	0	0	0	110.7	Q17 A20 R24 L27 F35 V57 H58 V59 V65 L67	Q17-F38 PolarHBondContact NE2-O 2.95Å; A20-F38 HydrophobicContact CB-CD1 4.41Å; A20-F38 HydrophobicContact CB-CE1 3.92Å; A20-F38 WeakPolarHBondContact O-CE1 3.29Å; R24-F38 HydrophobicContact CB-CD1 4.01Å; R24-F38 HydrophobicContact CB-CE1 3.74Å; R24-F38 HydrophobicContact CB-CZ 4.04Å; R24-F38 HydrophobicContact CG-CD1 3.98Å; R24-F38 HydrophobicContact CG-CD2 4.09Å; R24-F38 HydrophobicContact CG-CE1 4.01Å; R24-F38 HydrophobicContact CG-CE2 4.13Å; R24-F38 HydrophobicContact CG-CG 3.99Å; R24-F38 HydrophobicContact CG-CZ 4.06Å; L27-F38 HydrophobicContact CD2-CE2 3.7Å; L27-F38 HydrophobicContact CD2-CZ 4.03Å; F35-F38 HydrophobicContact CB-CD2 3.8Å; F35-F38 HydrophobicContact CB-CE2 4.4Å; F35-F38 HydrophobicContact CD2-CE2 4.45Å; F35-F38 HydrophobicContact CG-CD2 4.28Å; F35-F38 HydrophobicContact CG-CE2 4.43Å; F38-V57 HydrophobicContact CB-CG1 4.48Å; F38-V57 HydrophobicContact CD1-CG1 3.87Å; F38-V57 HydrophobicContact CD2-CG1 3.76Å; F38-V57 HydrophobicContact CE1-CG1 3.97Å; F38-V57 HydrophobicContact CE1-CG2 4.45Å; F38-V57 HydrophobicContact CE2-CG1 3.86Å; F38-V57 HydrophobicContact CG-CG1 3.78Å; F38-V57 HydrophobicContact CZ-CG1 4Å; F38-H58 WeakPolarHBondContact CA-O 3.21Å; F38-V59 HydrophobicContact CD2-CG1 3.87Å; F38-V59 HydrophobicContact CE2-CG1 4.09Å; F38-V65 HydrophobicContact CE2-CG2 4.34Å; F38-L67 HydrophobicContact CE1-CD1 4.19Å; F38-L67 HydrophobicContact CZ-CD1 3.83Å
39	K	98.6	Very high	96.8	Very high	131 Å²	131	70 Å²	70	57%	0.57	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	114.5	-171.9	-177.8	178.9	179.5	179.3	0	111.3	V41 V57 H58	K39-V41 PolarHBondContact O-N 2.82Å; K39-V57 CarbonylContact O-C 3.53Å; K39-V57 WeakPolarHBondContact O-CA 3.48Å; K39-H58 HydrophobicContact CB-CB 4.41Å; K39-H58 PolarHBondContact N-O 3.2Å; K39-H58 PolarHBondContact O-N 2.97Å
40	A	98.6	Very high	96.7	Very high	7 Å²	7	62.4 Å²	62.4	6%	0.058	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	131.2	170.6	0	0	0	0	0	110.1	A12 T16 Q17 A20 I55	A12-A40 VanDerWaalsContact CB-C 3.45Å; A12-A40 HydrophobicContact CB-CB 3.69Å; A12-A40 WeakPolarHBondContact CB-O 3.23Å; T16-A40 HydrophobicContact CG2-CB 4.21Å; Q17-A40 HydrophobicContact CB-CB 4.43Å; A20-A40 HydrophobicContact CB-CB 4.48Å; A40-I55 HydrophobicContact CB-CG2 3.93Å
41	V	98.4	Very high	96.7	Very high	63 Å²	63	58.6 Å²	58.6	38%	0.382	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-43	-177.4	178	0	0	0	0	111.5	A12 K39 K56 H58 F64	A12-V41 VanDerWaalsContact CB-C 3.49Å; A12-V41 PolarHBondContact N-O 3.24Å; K39-V41 PolarHBondContact O-N 2.82Å; V41-K56 PolarHBondContact N-O 3.09Å; V41-H58 HydrophobicContact CG2-CB 4.04Å; V41-F64 HydrophobicContact CG2-CE1 4.02Å
42	S	98.4	Very high	96.7	Very high	14 Å²	14	56.5 Å²	56.5	10%	0.098	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	158	180	61.1	0	0	0	0	111.2	Q10 K56	Q10-S42 CarbonylContact O-C 3.47Å; Q10-S42 WeakPolarHBondContact O-CA 3.26Å; Q10-S42 VanDerWaalsContact O-CB 3.31Å; Q10-S42 WeakPolarHBondContact O-CB 3.13Å; S42-K56 PolarHBondContact O-N 2.82Å; S42-K56 WeakPolarHBondContact OG-CB 3.43Å
43	F	98.6	Very high	96.7	Very high	20 Å²	20	50.7 Å²	50.7	9%	0.088	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.7	177.8	75.9	-77.1	0	0	0	113.1	Q10 P11 T13 T16 Y53 F54 I55	Q10-F43 HydrophobicContact CB-CD1 4.15Å; Q10-F43 HydrophobicContact CB-CE1 3.7Å; Q10-F43 HydrophobicContact CB-CZ 3.97Å; Q10-F43 PolarHBondContact N-O 3.16Å; Q10-F43 PolarHBondContact O-N 3.16Å; Q10-F43 VanDerWaalsContact OE1-CZ 3.24Å; P11-F43 VanDerWaalsContact O-CE1 3.26Å; P11-F43 WeakPolarHBondContact O-CE1 3.47Å; T13-F43 HydrophobicContact CG2-CE1 4.41Å; T16-F43 HydrophobicContact CG2-CB 3.71Å; T16-F43 HydrophobicContact CG2-CD1 3.86Å; T16-F43 HydrophobicContact CG2-CG 3.86Å; T16-F43 WeakPolarHBondContact OG1-CD1 3.42Å; T16-F43 WeakPolarHBondContact OG1-CE1 3.19Å; F43-Y53 HydrophobicContact CD2-CD1 4.25Å; F43-F54 CarbonylContact C-O 3.57Å; F43-F54 WeakPolarHBondContact CA-O 3.46Å; F43-F54 WeakPolarHBondContact CB-O 3.5Å; F43-I55 HydrophobicContact CB-CG1 4.32Å
44	K	98	Very high	96.9	Very high	25 Å²	25	46.4 Å²	46.4	11%	0.109	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.6	161.2	-67.9	-179.8	-179.5	174.5	0	107.6	P6 S7 V9 F54 E94 L95	P6-K44 HydrophobicContact CB-CB 4.4Å; P6-K44 HydrophobicContact CB-CD 4.3Å; S7-K44 VanDerWaalsContact O-CD 3.29Å; S7-K44 WeakPolarHBondContact O-CD 3.44Å; S7-K44 WeakPolarHBondContact O-CG 3.33Å; V9-K44 HydrophobicContact CG2-CD 4.24Å; V9-K44 HydrophobicContact CG2-CG 4.01Å; K44-F54 HydrophobicContact CB-CB 4.3Å; K44-F54 HydrophobicContact CB-CD2 4.46Å; K44-F54 PolarHBondContact N-O 3.3Å; K44-F54 PolarHBondContact O-N 3.32Å; K44-E94 IonicContact NZ-OE1 2.9Å; K44-E94 PolarHBondContact NZ-OE1 2.76Å; K44-L95 HydrophobicContact CB-CD2 4.24Å; K44-L95 VanDerWaalsContact CD-O 3.23Å; K44-L95 WeakPolarHBondContact CD-O 3.29Å; K44-L95 WeakPolarHBondContact CE-O 3.4Å; K44-L95 HydrophobicContact CG-CD2 4.07Å; K44-L95 PolarHBondContact NZ-O 2.71Å
45	S	97	Very high	97	Very high	34 Å²	34	39.1 Å²	39.1	24%	0.238	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.1	174.2	62.1	0	0	0	0	110.8	P6 S7 N52	P6-S45 CarbonylContact C-O 3.55Å; P6-S45 WeakPolarHBondContact CA-O 3.37Å; S7-S45 PolarHBondContact N-O 3.07Å; S7-S45 PolarHBondContact OG-N 2.72Å; S7-S45 PolarHBondContact OG-O 2.95Å; S7-S45 PolarHBondContact OG-OG 2.72Å; S45-N52 CarbonylContact C-O 3.59Å; S45-N52 WeakPolarHBondContact CA-O 3.36Å
46	Q	96.1	Very high	97.1	Very high	15 Å²	15	39.6 Å²	39.6	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	118.4	179.4	179	-165.1	45.9	0	0	108.8	G4 P6 V48 T51 N52 F54	G4-Q46 WeakPolarHBondContact O-CG 3.34Å; G4-Q46 PolarHBondContact O-NE2 3.45Å; P6-Q46 HydrophobicContact CB-CB 4.41Å; P6-Q46 HydrophobicContact CG-CB 4.35Å; P6-Q46 HydrophobicContact CG-CG 4.41Å; Q46-V48 HydrophobicContact CG-CG1 4.21Å; Q46-T51 WeakPolarHBondContact O-CA 3.46Å; Q46-N52 HydrophobicContact CB-CB 4.24Å; Q46-N52 PolarHBondContact N-O 3.3Å; Q46-N52 PolarHBondContact O-N 3.46Å; Q46-N52 PolarHBondContact OE1-ND2 3.36Å; Q46-F54 HydrophobicContact CB-CE2 4.15Å
47	V	94.9	Very high	97.3	Very high	103 Å²	103	34.1 Å²	34.1	62%	0.624	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77	129.4	176.3	-179.8	0	0	0	0	109.5
48	V	92.2	Very high	97.4	Very high	61 Å²	61	33.3 Å²	33.3	37%	0.37	19%	0.189	S	C	.	.	S	Bend	trans	-137.2	-152.5	176.2	-63.7	0	0	0	0	108.3	Q46 G50 F70	Q46-V48 HydrophobicContact CG-CG1 4.21Å; V48-G50 CarbonylContact C-O 3.48Å; V48-G50 PolarHBondContact N-O 2.98Å; V48-G50 PolarHBondContact O-N 2.93Å; V48-F70 HydrophobicContact CG2-CD2 4.49Å; V48-F70 HydrophobicContact CG2-CE2 3.84Å
49	A	94.3	Very high	97.3	Very high	78 Å²	78	33.5 Å²	33.5	65%	0.645	19%	0.191	S	C	*	.	S	Bend	trans	-71.7	59.9	161.1	0	0	0	0	0	110.6	F70	A49-F70 WeakPolarHBondContact O-CZ 3.49Å
50	G	95.3	Very high	97.2	Very high	2 Å²	2	28 Å²	28	2%	0.021	17%	0.171	C	C	.	.	S	Bend	trans	135.2	-156.7	-162.2	0	0	0	0	0	110.2	V48 K71	V48-G50 CarbonylContact C-O 3.48Å; V48-G50 PolarHBondContact N-O 2.98Å; V48-G50 PolarHBondContact O-N 2.93Å; G50-K71 CarbonylContact C-O 3.53Å; G50-K71 WeakPolarHBondContact CA-O 3.24Å
51	T	96.7	Very high	96.9	Very high	32 Å²	32	34.9 Å²	34.9	20%	0.196	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	126.1	175.8	-55.4	0	0	0	0	110.3	Q46 Y53 K71	Q46-T51 WeakPolarHBondContact O-CA 3.46Å; T51-Y53 HydrophobicContact CG2-CD2 4.08Å; T51-Y53 HydrophobicContact CG2-CE1 4.46Å; T51-Y53 HydrophobicContact CG2-CE2 3.57Å; T51-K71 PolarHBondContact N-O 3.4Å; T51-K71 PolarHBondContact O-N 3.42Å
52	N	97.8	Very high	96.6	Very high	8 Å²	8	40 Å²	40	4%	0.043	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.2	164.5	-67.9	-44.8	0	0	0	109.2	S45 Q46 F54 R68 V69 F70	S45-N52 CarbonylContact C-O 3.59Å; S45-N52 WeakPolarHBondContact CA-O 3.36Å; Q46-N52 HydrophobicContact CB-CB 4.24Å; Q46-N52 PolarHBondContact N-O 3.3Å; Q46-N52 PolarHBondContact O-N 3.46Å; Q46-N52 PolarHBondContact OE1-ND2 3.36Å; N52-F54 HydrophobicContact CB-CE2 3.97Å; N52-F54 HydrophobicContact CB-CZ 4.36Å; N52-R68 PolarHBondContact ND2-NH2 2.84Å; N52-R68 VanDerWaalsContact ND2-NH2 3.18Å; N52-V69 CarbonylContact C-O 3.56Å; N52-V69 WeakPolarHBondContact CA-O 3.49Å; N52-F70 WeakPolarHBondContact OD1-CD2 3.35Å
53	Y	98.3	Very high	96.5	Very high	30 Å²	30	43.3 Å²	43.3	12%	0.118	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.6	165.9	-68.2	-90.3	0	0	0	108.4	I19 F43 T51 R68 V69 K71	I19-Y53 HydrophobicContact CD1-CD1 4.13Å; I19-Y53 HydrophobicContact CD1-CD2 4.12Å; I19-Y53 HydrophobicContact CD1-CE1 3.96Å; I19-Y53 HydrophobicContact CD1-CE2 3.96Å; I19-Y53 HydrophobicContact CD1-CG 4.21Å; F43-Y53 HydrophobicContact CD2-CD1 4.25Å; T51-Y53 HydrophobicContact CG2-CD2 4.08Å; T51-Y53 HydrophobicContact CG2-CE1 4.46Å; T51-Y53 HydrophobicContact CG2-CE2 3.57Å; Y53-R68 CarbonylContact O-C 3.52Å; Y53-R68 WeakPolarHBondContact O-CA 3.41Å; Y53-V69 PolarHBondContact N-O 2.86Å; Y53-V69 PolarHBondContact O-N 3.08Å; Y53-K71 HydrophobicContact CD2-CB 4.35Å; Y53-K71 HydrophobicContact CE2-CB 3.91Å; Y53-K71 HydrophobicContact CE2-CD 3.93Å
54	F	98.6	Very high	96.5	Very high	1 Å²	1	43 Å²	43	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.5	165	-59.1	-92.4	0	0	0	106.3	P6 F43 K44 Q46 N52 L67 R68 L95 Y97 F98	P6-F54 HydrophobicContact CG-CE2 4.31Å; F43-F54 CarbonylContact C-O 3.57Å; F43-F54 WeakPolarHBondContact CA-O 3.46Å; F43-F54 WeakPolarHBondContact CB-O 3.5Å; K44-F54 HydrophobicContact CB-CB 4.3Å; K44-F54 HydrophobicContact CB-CD2 4.46Å; K44-F54 PolarHBondContact N-O 3.3Å; K44-F54 PolarHBondContact O-N 3.32Å; Q46-F54 HydrophobicContact CB-CE2 4.15Å; N52-F54 HydrophobicContact CB-CE2 3.97Å; N52-F54 HydrophobicContact CB-CZ 4.36Å; F54-L67 CarbonylContact C-O 3.5Å; F54-L67 VanDerWaalsContact CA-O 3.24Å; F54-L67 WeakPolarHBondContact CA-O 3.39Å; F54-R68 HydrophobicContact CD1-CB 4.34Å; F54-R68 HydrophobicContact CD1-CG 4.34Å; F54-R68 HydrophobicContact CE1-CB 4.26Å; F54-R68 HydrophobicContact CE1-CG 3.9Å; F54-R68 HydrophobicContact CZ-CG 4.27Å; F54-L95 HydrophobicContact CB-CD1 4.24Å; F54-L95 HydrophobicContact CB-CD2 3.72Å; F54-L95 HydrophobicContact CB-CG 3.8Å; F54-L95 VanDerWaalsContact O-CD2 3.23Å; F54-L95 WeakPolarHBondContact O-CD2 3.2Å; F54-Y97 HydrophobicContact CE1-CD2 4.07Å; F54-Y97 HydrophobicContact CE1-CG 4.4Å; F54-Y97 HydrophobicContact CE2-CD2 4.24Å; F54-Y97 AromaticContact CZ-CD2 3.4Å; F54-Y97 HydrophobicContact CZ-CD2 3.4Å; F54-Y97 VanDerWaalsContact CZ-CD2 3.4Å; F54-Y97 AromaticContact CZ-CE2 3.9Å; F54-Y97 HydrophobicContact CZ-CE2 3.9Å; F54-Y97 HydrophobicContact CZ-CG 4.15Å; F54-F98 HydrophobicContact CD1-CD1 4.3Å; F54-F98 AromaticContact CD1-CE1 3.91Å; F54-F98 HydrophobicContact CD1-CE1 3.91Å; F54-F98 HydrophobicContact CD1-CZ 4.32Å; F54-F98 HydrophobicContact CE1-CE1 4.49Å
55	I	98.8	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122	-173.8	-49.2	177.1	0	0	0	109.4	T16 I19 A20 A40 F43 V57 H66 L67 V69	T16-I55 HydrophobicContact CG2-CD1 4.12Å; T16-I55 HydrophobicContact CG2-CG1 4.18Å; T16-I55 HydrophobicContact CG2-CG2 3.81Å; I19-I55 HydrophobicContact CB-CD1 4.22Å; I19-I55 HydrophobicContact CG2-CD1 3.63Å; A20-I55 HydrophobicContact CB-CD1 4.4Å; A40-I55 HydrophobicContact CB-CG2 3.93Å; F43-I55 HydrophobicContact CB-CG1 4.32Å; I55-V57 HydrophobicContact CB-CG2 4.41Å; I55-V57 HydrophobicContact CG2-CG2 3.75Å; I55-H66 CarbonylContact O-C 3.51Å; I55-H66 WeakPolarHBondContact O-CA 3.16Å; I55-L67 HydrophobicContact CB-CB 4.42Å; I55-L67 PolarHBondContact N-O 2.87Å; I55-L67 PolarHBondContact O-N 3.41Å; I55-V69 HydrophobicContact CD1-CG2 4.26Å
56	K	98.8	Very high	96.6	Very high	19 Å²	19	40.4 Å²	40.4	8%	0.083	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	121.6	167.5	177.7	179.3	-71.4	178.6	0	108.8	V41 S42 F64 H66 K91 D93 L95	V41-K56 PolarHBondContact N-O 3.09Å; S42-K56 PolarHBondContact O-N 2.82Å; S42-K56 WeakPolarHBondContact OG-CB 3.43Å; K56-F64 HydrophobicContact CD-CD1 3.94Å; K56-F64 HydrophobicContact CD-CE1 4.31Å; K56-F64 HydrophobicContact CG-CD1 3.67Å; K56-F64 HydrophobicContact CG-CE1 4.37Å; K56-F64 HydrophobicContact CG-CG 4.46Å; K56-H66 WeakPolarHBondContact CE-NE2 3.2Å; K56-K91 PolarHBondContact NZ-O 3.44Å; K56-D93 VanDerWaalsContact CE-O 3.26Å; K56-D93 WeakPolarHBondContact CE-O 3.37Å; K56-D93 PolarHBondContact NZ-O 2.94Å; K56-L95 HydrophobicContact CB-CD1 4.13Å
57	V	98.8	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.8	-178.6	-178.2	0	0	0	0	109.2	A20 F38 K39 I55 V59 F64 V65 L67	A20-V57 HydrophobicContact CB-CG2 4.18Å; F38-V57 HydrophobicContact CB-CG1 4.48Å; F38-V57 HydrophobicContact CD1-CG1 3.87Å; F38-V57 HydrophobicContact CD2-CG1 3.76Å; F38-V57 HydrophobicContact CE1-CG1 3.97Å; F38-V57 HydrophobicContact CE1-CG2 4.45Å; F38-V57 HydrophobicContact CE2-CG1 3.86Å; F38-V57 HydrophobicContact CG-CG1 3.78Å; F38-V57 HydrophobicContact CZ-CG1 4Å; K39-V57 CarbonylContact O-C 3.53Å; K39-V57 WeakPolarHBondContact O-CA 3.48Å; I55-V57 HydrophobicContact CB-CG2 4.41Å; I55-V57 HydrophobicContact CG2-CG2 3.75Å; V57-V59 HydrophobicContact CG1-CG1 4.12Å; V57-F64 CarbonylContact O-C 3.45Å; V57-F64 VanDerWaalsContact O-CA 3.25Å; V57-F64 WeakPolarHBondContact O-CA 3.26Å; V57-V65 HydrophobicContact CB-CG2 3.79Å; V57-V65 HydrophobicContact CG1-CG2 4.39Å; V57-V65 PolarHBondContact N-O 2.72Å; V57-V65 PolarHBondContact O-N 3.23Å; V57-L67 HydrophobicContact CG2-CD1 3.84Å; V57-L67 HydrophobicContact CG2-CG 4.08Å
58	H	98.5	Very high	96.9	Very high	44 Å²	44	36.4 Å²	36.4	20%	0.204	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.7	169	177.4	-137.1	0	0	0	109.2	F38 K39 V41 G60 D61 D63 F64	F38-H58 WeakPolarHBondContact CA-O 3.21Å; K39-H58 HydrophobicContact CB-CB 4.41Å; K39-H58 PolarHBondContact N-O 3.2Å; K39-H58 PolarHBondContact O-N 2.97Å; V41-H58 HydrophobicContact CG2-CB 4.04Å; H58-G60 VanDerWaalsContact NE2-C 3.31Å; H58-G60 PolarHBondContact NE2-O 3.3Å; H58-D61 PolarHBondContact NE2-O 3.02Å; H58-D63 PolarHBondContact CD2-O 3.48Å; H58-D63 VanDerWaalsContact CD2-O 3.3Å; H58-F64 HydrophobicContact CB-CD1 3.98Å; H58-F64 HydrophobicContact CB-CE1 3.57Å; H58-F64 HydrophobicContact CB-CZ 4.04Å; H58-F64 AromaticContact CD2-CE2 3.94Å; H58-F64 AromaticContact CD2-CZ 3.78Å
59	V	97.9	Very high	97.2	Very high	17 Å²	17	33.5 Å²	33.5	10%	0.103	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	7.6	-173.8	-64.4	0	0	0	0	115	F35 V37 F38 V57 D63 V65	F35-V59 HydrophobicContact CB-CG1 4.49Å; F35-V59 HydrophobicContact CD1-CB 3.74Å; F35-V59 HydrophobicContact CD1-CG1 3.84Å; F35-V59 HydrophobicContact CD1-CG2 4.21Å; F35-V59 HydrophobicContact CE1-CB 4.39Å; F35-V59 HydrophobicContact CE1-CG1 4.37Å; F35-V59 HydrophobicContact CE1-CG2 4.44Å; F35-V59 HydrophobicContact CG-CG1 4.35Å; V37-V59 VanDerWaalsContact O-CA 3.29Å; V37-V59 WeakPolarHBondContact O-CA 3.39Å; F38-V59 HydrophobicContact CD2-CG1 3.87Å; F38-V59 HydrophobicContact CE2-CG1 4.09Å; V57-V59 HydrophobicContact CG1-CG1 4.12Å; V59-D63 HydrophobicContact CG2-CB 3.89Å; V59-D63 WeakPolarHBondContact CG2-O 3.09Å; V59-D63 PolarHBondContact N-O 3.15Å; V59-V65 HydrophobicContact CG1-CB 4.45Å; V59-V65 HydrophobicContact CG1-CG1 3.99Å; V59-V65 HydrophobicContact CG1-CG2 3.71Å; V59-V65 HydrophobicContact CG2-CG1 4.11Å
60	G	95.1	Very high	97.4	Very high	14 Å²	14	32.1 Å²	32.1	14%	0.144	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.8	154.7	-177.9	0	0	0	0	0	110.5	H58 E62 D63	H58-G60 VanDerWaalsContact NE2-C 3.31Å; H58-G60 PolarHBondContact NE2-O 3.3Å; G60-E62 PolarHBondContact O-N 3.28Å; G60-D63 PolarHBondContact O-N 2.92Å
61	D	92.4	Very high	97.5	Very high	153 Å²	153	35.9 Å²	35.9	82%	0.818	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.8	-122.9	177.2	-57.1	-40.6	0	0	0	113.1	H58	H58-D61 PolarHBondContact NE2-O 3.02Å
62	E	92.5	Very high	97.5	Very high	169 Å²	169	35.1 Å²	35.1	79%	0.79	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	11.7	174	-60.7	-163.9	110.2	0	0	113.1	G60 F64	G60-E62 PolarHBondContact O-N 3.28Å; E62-F64 WeakPolarHBondContact O-CD2 3.22Å
63	D	96.3	Very high	97.5	Very high	85 Å²	85	37.7 Å²	37.7	46%	0.455	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.1	-173.9	-74.4	-25.8	0	0	0	113.1	H58 V59 G60	H58-D63 PolarHBondContact CD2-O 3.48Å; H58-D63 VanDerWaalsContact CD2-O 3.3Å; V59-D63 HydrophobicContact CG2-CB 3.89Å; V59-D63 WeakPolarHBondContact CG2-O 3.09Å; V59-D63 PolarHBondContact N-O 3.15Å; G60-D63 PolarHBondContact O-N 2.92Å
64	F	98.4	Very high	97.2	Very high	14 Å²	14	41.8 Å²	41.8	6%	0.061	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155.7	177.3	-66.3	-104.1	0	0	0	111.2	V41 K56 V57 H58 E62 K89 K91	V41-F64 HydrophobicContact CG2-CE1 4.02Å; K56-F64 HydrophobicContact CD-CD1 3.94Å; K56-F64 HydrophobicContact CD-CE1 4.31Å; K56-F64 HydrophobicContact CG-CD1 3.67Å; K56-F64 HydrophobicContact CG-CE1 4.37Å; K56-F64 HydrophobicContact CG-CG 4.46Å; V57-F64 CarbonylContact O-C 3.45Å; V57-F64 VanDerWaalsContact O-CA 3.25Å; V57-F64 WeakPolarHBondContact O-CA 3.26Å; H58-F64 HydrophobicContact CB-CD1 3.98Å; H58-F64 HydrophobicContact CB-CE1 3.57Å; H58-F64 HydrophobicContact CB-CZ 4.04Å; H58-F64 AromaticContact CD2-CE2 3.94Å; H58-F64 AromaticContact CD2-CZ 3.78Å; E62-F64 WeakPolarHBondContact O-CD2 3.22Å; F64-K89 WeakPolarHBondContact CA-O 3.35Å; F64-K89 HydrophobicContact CB-CB 3.94Å; F64-K89 WeakPolarHBondContact CB-O 3.24Å; F64-K89 PolarHBondContact N-O 3.37Å; F64-K89 WeakPolarHBondContact O-CB 3.36Å; F64-K89 PolarHBondContact O-N 2.84Å; F64-K91 HydrophobicContact CD2-CB 4.29Å; F64-K91 HydrophobicContact CE2-CB 3.58Å; F64-K91 HydrophobicContact CE2-CG 4.26Å; F64-K91 HydrophobicContact CZ-CB 3.8Å; F64-K91 HydrophobicContact CZ-CG 3.96Å
65	V	98.4	Very high	97	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.5	165.5	-56.8	0	0	0	0	109.2	L27 F35 F38 V57 V59 L67 Q86 T87	L27-V65 HydrophobicContact CD2-CG2 4.12Å; F35-V65 HydrophobicContact CE1-CG1 4.32Å; F38-V65 HydrophobicContact CE2-CG2 4.34Å; V57-V65 HydrophobicContact CB-CG2 3.79Å; V57-V65 HydrophobicContact CG1-CG2 4.39Å; V57-V65 PolarHBondContact N-O 2.72Å; V57-V65 PolarHBondContact O-N 3.23Å; V59-V65 HydrophobicContact CG1-CB 4.45Å; V59-V65 HydrophobicContact CG1-CG1 3.99Å; V59-V65 HydrophobicContact CG1-CG2 3.71Å; V59-V65 HydrophobicContact CG2-CG1 4.11Å; V65-L67 HydrophobicContact CB-CD2 4.44Å; V65-L67 HydrophobicContact CG2-CD2 3.8Å; V65-L67 HydrophobicContact CG2-CG 4.39Å; V65-Q86 CarbonylContact C-O 3.47Å; V65-Q86 VanDerWaalsContact CA-O 3.23Å; V65-Q86 WeakPolarHBondContact CA-O 3.3Å; V65-Q86 WeakPolarHBondContact CB-O 3.43Å; V65-T87 HydrophobicContact CG1-CG2 4.18Å
66	H	98.8	Very high	96.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.6	169	-66.2	175.8	0	0	0	108.2	I55 K56 Y85 Q86 E94 L95 F98	I55-H66 CarbonylContact O-C 3.51Å; I55-H66 WeakPolarHBondContact O-CA 3.16Å; K56-H66 WeakPolarHBondContact CE-NE2 3.2Å; H66-Y85 CarbonylContact O-C 3.54Å; H66-Y85 WeakPolarHBondContact O-CA 3.47Å; H66-Q86 HydrophobicContact CB-CB 4.29Å; H66-Q86 PolarHBondContact N-O 3.43Å; H66-Q86 PolarHBondContact O-N 2.9Å; H66-E94 PolarHBondContact CE1-O 3.14Å; H66-L95 HydrophobicContact CB-CD1 3.97Å; H66-F98 HydrophobicContact CB-CE1 3.8Å; H66-F98 HydrophobicContact CB-CZ 3.83Å; H66-F98 WeakPolarHBondContact O-CZ 3.13Å
67	L	98.8	Very high	96.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.8	177.2	-47.8	-178.1	0	0	0	109.9	A20 V23 L27 F38 F54 I55 V57 V65 V69 L82	A20-L67 HydrophobicContact CB-CD1 4.33Å; V23-L67 HydrophobicContact CG2-CD1 3.93Å; L27-L67 HydrophobicContact CD1-CD2 4.33Å; L27-L67 HydrophobicContact CD2-CD2 4Å; F38-L67 HydrophobicContact CE1-CD1 4.19Å; F38-L67 HydrophobicContact CZ-CD1 3.83Å; F54-L67 CarbonylContact C-O 3.5Å; F54-L67 VanDerWaalsContact CA-O 3.24Å; F54-L67 WeakPolarHBondContact CA-O 3.39Å; I55-L67 HydrophobicContact CB-CB 4.42Å; I55-L67 PolarHBondContact N-O 2.87Å; I55-L67 PolarHBondContact O-N 3.41Å; V57-L67 HydrophobicContact CG2-CD1 3.84Å; V57-L67 HydrophobicContact CG2-CG 4.08Å; V65-L67 HydrophobicContact CB-CD2 4.44Å; V65-L67 HydrophobicContact CG2-CD2 3.8Å; V65-L67 HydrophobicContact CG2-CG 4.39Å; L67-V69 HydrophobicContact CB-CG2 4.1Å; L67-L82 HydrophobicContact CB-CD1 4.01Å; L67-L82 HydrophobicContact CD2-CD1 4.1Å; L67-L82 HydrophobicContact CG-CD1 4.49Å
68	R	98.6	Very high	96.3	Very high	35 Å²	35	63.6 Å²	63.6	13%	0.132	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.1	161.3	-179.1	-179.6	178.8	173.5	2.4	108.7	N52 Y53 F54 S83 D84 Y97 F98	N52-R68 PolarHBondContact ND2-NH2 2.84Å; N52-R68 VanDerWaalsContact ND2-NH2 3.18Å; Y53-R68 CarbonylContact O-C 3.52Å; Y53-R68 WeakPolarHBondContact O-CA 3.41Å; F54-R68 HydrophobicContact CD1-CB 4.34Å; F54-R68 HydrophobicContact CD1-CG 4.34Å; F54-R68 HydrophobicContact CE1-CB 4.26Å; F54-R68 HydrophobicContact CE1-CG 3.9Å; F54-R68 HydrophobicContact CZ-CG 4.27Å; R68-S83 WeakPolarHBondContact O-CB 3.34Å; R68-S83 PolarHBondContact O-N 2.91Å; R68-D84 HydrophobicContact CB-CB 4.15Å; R68-D84 PolarHBondContact N-O 2.98Å; R68-D84 PolarHBondContact O-N 2.78Å; R68-Y97 PolarHBondContact NH1-OH 3.4Å; R68-Y97 PolarHBondContact NH2-OH 3.41Å; R68-F98 HydrophobicContact CB-CD2 4.44Å; R68-F98 HydrophobicContact CB-CE2 3.72Å; R68-F98 HydrophobicContact CB-CZ 4.02Å; R68-F98 WeakPolarHBondContact CD-O 3.43Å; R68-F98 PolarHBondContact NH1-O 3.08Å
69	V	98.7	Very high	96.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.3	-179.2	-175.8	0	0	0	0	109.8	I19 V23 N52 Y53 I55 L67 L80 T81 L82	I19-V69 HydrophobicContact CG2-CB 4.01Å; I19-V69 HydrophobicContact CG2-CG1 3.74Å; I19-V69 HydrophobicContact CG2-CG2 4.21Å; V23-V69 HydrophobicContact CB-CG2 4.42Å; V23-V69 HydrophobicContact CG1-CG1 3.7Å; V23-V69 HydrophobicContact CG1-CG2 4.13Å; V23-V69 HydrophobicContact CG2-CG2 3.63Å; N52-V69 CarbonylContact C-O 3.56Å; N52-V69 WeakPolarHBondContact CA-O 3.49Å; Y53-V69 PolarHBondContact N-O 2.86Å; Y53-V69 PolarHBondContact O-N 3.08Å; I55-V69 HydrophobicContact CD1-CG2 4.26Å; L67-V69 HydrophobicContact CB-CG2 4.1Å; V69-L80 HydrophobicContact CG1-CB 4.05Å; V69-L80 HydrophobicContact CG1-CD2 4.1Å; V69-T81 CarbonylContact C-O 3.55Å; V69-T81 WeakPolarHBondContact CA-O 3.37Å; V69-L82 HydrophobicContact CG2-CD1 4.45Å
70	F	98.3	Very high	96.2	Very high	49 Å²	49	66.4 Å²	66.4	22%	0.215	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.8	174	-178.9	-109.7	0	0	0	111	V48 A49 N52 S72 T81 S83	V48-F70 HydrophobicContact CG2-CD2 4.49Å; V48-F70 HydrophobicContact CG2-CE2 3.84Å; A49-F70 WeakPolarHBondContact O-CZ 3.49Å; N52-F70 WeakPolarHBondContact OD1-CD2 3.35Å; F70-S72 WeakPolarHBondContact CE1-OG 3.32Å; F70-T81 PolarHBondContact N-O 3Å; F70-T81 PolarHBondContact O-N 3.05Å; F70-T81 VanDerWaalsContact O-N 3.12Å; F70-S83 WeakPolarHBondContact CB-OG 3.09Å
71	K	97.7	Very high	96.3	Very high	80 Å²	80	68.8 Å²	68.8	35%	0.348	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.3	169.3	-173.4	174.2	-176.2	172.2	0	108.3	E15 G50 T51 Y53 L80	E15-K71 IonicContact OE1-NZ 3.48Å; E15-K71 PolarHBondContact OE1-NZ 3.06Å; G50-K71 CarbonylContact C-O 3.53Å; G50-K71 WeakPolarHBondContact CA-O 3.24Å; T51-K71 PolarHBondContact N-O 3.4Å; T51-K71 PolarHBondContact O-N 3.42Å; Y53-K71 HydrophobicContact CD2-CB 4.35Å; Y53-K71 HydrophobicContact CE2-CB 3.91Å; Y53-K71 HydrophobicContact CE2-CD 3.93Å; K71-L80 HydrophobicContact CB-CD2 3.64Å; K71-L80 HydrophobicContact CD-CD2 4.3Å; K71-L80 HydrophobicContact CG-CD2 3.83Å
72	S	97.4	Very high	96.6	Very high	16 Å²	16	61.7 Å²	61.7	11%	0.112	32%	0.318	C	S	.	.			trans	-61.2	164	174.7	-104.1	0	0	0	0	112.5	F70 E76 K78	F70-S72 WeakPolarHBondContact CE1-OG 3.32Å; S72-E76 WeakPolarHBondContact CB-OE2 3.42Å; S72-E76 PolarHBondContact OG-OE2 2.92Å; S72-K78 WeakPolarHBondContact OG-CD 3.44Å
73	L	96.2	Very high	96.9	Very high	63 Å²	63	56.3 Å²	56.3	33%	0.33	30%	0.298	S	S	.	.			trans	-65.3	148.7	176.5	-68.3	171.1	0	0	0	110.5	H75 E76	L73-H75 PolarHBondContact O-N 3.27Å; L73-H75 VanDerWaalsContact O-N 3.08Å; L73-E76 HydrophobicContact CB-CG 4.28Å; L73-E76 PolarHBondContact N-OE2 3.36Å; L73-E76 VanDerWaalsContact N-OE2 3.14Å; L73-E76 WeakPolarHBondContact O-CB 3.46Å; L73-E76 PolarHBondContact O-N 2.87Å
74	P	92.5	Very high	96.9	Very high	116 Å²	116	55.4 Å²	55.4	75%	0.753	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-54.7	-34.4	-174	-28.9	35.3	0	0	0	114.9	E76 N77	P74-E76 VanDerWaalsContact C-N 3.28Å; P74-E76 PolarHBondContact O-N 3.34Å; P74-N77 PolarHBondContact O-OD1 3.48Å
75	H	93.8	Very high	97	Very high	144 Å²	144	57.1 Å²	57.1	67%	0.667	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-75	-15.3	-179.6	66.5	-94.8	0	0	0	113.8	L73	L73-H75 PolarHBondContact O-N 3.27Å; L73-H75 VanDerWaalsContact O-N 3.08Å
76	E	95.2	Very high	97	Very high	64 Å²	64	59.3 Å²	59.3	30%	0.299	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-80.4	-20.2	179	-62.4	-171.2	100.8	0	0	112.4	S72 L73 P74 K78	S72-E76 WeakPolarHBondContact CB-OE2 3.42Å; S72-E76 PolarHBondContact OG-OE2 2.92Å; L73-E76 HydrophobicContact CB-CG 4.28Å; L73-E76 PolarHBondContact N-OE2 3.36Å; L73-E76 VanDerWaalsContact N-OE2 3.14Å; L73-E76 WeakPolarHBondContact O-CB 3.46Å; L73-E76 PolarHBondContact O-N 2.87Å; P74-E76 VanDerWaalsContact C-N 3.28Å; P74-E76 PolarHBondContact O-N 3.34Å; E76-K78 HydrophobicContact CB-CD 4.1Å; E76-K78 HydrophobicContact CB-CG 4.15Å; E76-K78 PolarHBondContact O-N 3.22Å; E76-K78 VanDerWaalsContact O-N 3.08Å; E76-K78 IonicContact OE1-NZ 2.72Å; E76-K78 PolarHBondContact OE1-NZ 3.22Å
77	N	92.1	Very high	96.9	Very high	147 Å²	147	61 Å²	61	79%	0.786	32%	0.321	S	S	*	.			trans	48.5	35.3	-179	-64.4	-59.2	0	0	0	114.1	P74	P74-N77 PolarHBondContact O-OD1 3.48Å
78	K	95.2	Very high	96.7	Very high	123 Å²	123	67.3 Å²	67.3	54%	0.535	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-91.3	146.9	178.8	-69.9	171	-176.6	163.9	0	110.9	S72 E76	S72-K78 WeakPolarHBondContact OG-CD 3.44Å; E76-K78 HydrophobicContact CB-CD 4.1Å; E76-K78 HydrophobicContact CB-CG 4.15Å; E76-K78 PolarHBondContact O-N 3.22Å; E76-K78 VanDerWaalsContact O-N 3.08Å; E76-K78 IonicContact OE1-NZ 2.72Å; E76-K78 PolarHBondContact OE1-NZ 3.22Å
79	P	95.8	Very high	96.7	Very high	100 Å²	100	68.1 Å²	68.1	65%	0.649	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-67.3	161	175.5	29.5	-35.3	0	0	0	111.8	T81	P79-T81 PolarHBondContact O-N 2.97Å; P79-T81 PolarHBondContact O-OG1 3.38Å
80	L	97.7	Very high	96.5	Very high	20 Å²	20	70.2 Å²	70.2	11%	0.105	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-60.5	135.7	169.4	-67.6	171.6	0	0	0	110.2	I19 Q22 V23 Q26 V69 K71	I19-L80 HydrophobicContact CB-CD1 4.15Å; I19-L80 HydrophobicContact CG1-CD1 3.96Å; I19-L80 HydrophobicContact CG2-CD1 4.07Å; Q22-L80 HydrophobicContact CB-CD1 4Å; Q22-L80 HydrophobicContact CG-CD1 4.4Å; V23-L80 HydrophobicContact CG1-CB 3.96Å; Q26-L80 PolarHBondContact NE2-O 3.2Å; Q26-L80 VanDerWaalsContact NE2-O 3.1Å; V69-L80 HydrophobicContact CG1-CB 4.05Å; V69-L80 HydrophobicContact CG1-CD2 4.1Å; K71-L80 HydrophobicContact CB-CD2 3.64Å; K71-L80 HydrophobicContact CD-CD2 4.3Å; K71-L80 HydrophobicContact CG-CD2 3.83Å
81	T	98.1	Very high	96.3	Very high	64 Å²	64	74.3 Å²	74.3	39%	0.393	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.8	-178	-54.8	0	0	0	0	110.3	V69 F70 P79 S83	V69-T81 CarbonylContact C-O 3.55Å; V69-T81 WeakPolarHBondContact CA-O 3.37Å; F70-T81 PolarHBondContact N-O 3Å; F70-T81 PolarHBondContact O-N 3.05Å; F70-T81 VanDerWaalsContact O-N 3.12Å; P79-T81 PolarHBondContact O-N 2.97Å; P79-T81 PolarHBondContact O-OG1 3.38Å; T81-S83 PolarHBondContact O-N 3.18Å
82	L	98.6	Very high	96.2	Very high	4 Å²	4	78.6 Å²	78.6	2%	0.021	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	92.9	167.5	-175.5	64.3	0	0	0	109.2	V23 Q26 L27 K30 L67 V69 D84 Y85	V23-L82 HydrophobicContact CB-CB 4.18Å; V23-L82 HydrophobicContact CG2-CD1 4.42Å; Q26-L82 HydrophobicContact CB-CB 3.99Å; Q26-L82 HydrophobicContact CB-CD2 4.22Å; L27-L82 HydrophobicContact CB-CD2 3.77Å; L27-L82 HydrophobicContact CD1-CD2 4.08Å; K30-L82 PolarHBondContact NZ-O 3.44Å; L67-L82 HydrophobicContact CB-CD1 4.01Å; L67-L82 HydrophobicContact CD2-CD1 4.1Å; L67-L82 HydrophobicContact CG-CD1 4.49Å; V69-L82 HydrophobicContact CG2-CD1 4.45Å; L82-D84 WeakPolarHBondContact CD1-O 3.5Å; L82-Y85 HydrophobicContact CD2-CD1 4.01Å; L82-Y85 HydrophobicContact CG-CD1 4.44Å
83	S	97.6	Very high	96.1	Very high	55 Å²	55	80.6 Å²	80.6	39%	0.385	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-44.3	-178.9	-57	0	0	0	0	111.8	R68 F70 T81	R68-S83 WeakPolarHBondContact O-CB 3.34Å; R68-S83 PolarHBondContact O-N 2.91Å; F70-S83 WeakPolarHBondContact CB-OG 3.09Å; T81-S83 PolarHBondContact O-N 3.18Å
84	D	98.3	Very high	96	Very high	67 Å²	67	84 Å²	84	36%	0.358	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	167.8	178.6	-152.9	-9.4	0	0	0	111	R68 L82 F98	R68-D84 HydrophobicContact CB-CB 4.15Å; R68-D84 PolarHBondContact N-O 2.98Å; R68-D84 PolarHBondContact O-N 2.78Å; L82-D84 WeakPolarHBondContact CD1-O 3.5Å; D84-F98 HydrophobicContact CB-CD2 4.04Å; D84-F98 HydrophobicContact CB-CE2 4.1Å
85	Y	98.6	Very high	96.1	Very high	50 Å²	50	78.6 Å²	78.6	20%	0.196	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	160.1	176.3	65.4	-82	0	0	0	112.7	L27 K30 E31 H66 L82 T87	L27-Y85 HydrophobicContact CD1-CD1 3.97Å; L27-Y85 HydrophobicContact CD1-CD2 3.35Å; L27-Y85 HydrophobicContact CD1-CE1 4.32Å; L27-Y85 HydrophobicContact CD1-CE2 3.74Å; L27-Y85 HydrophobicContact CD1-CG 3.46Å; L27-Y85 VanDerWaalsContact CD1-CG 3.46Å; K30-Y85 HydrophobicContact CB-CE1 4.09Å; K30-Y85 HydrophobicContact CD-CD1 4.32Å; K30-Y85 HydrophobicContact CD-CE1 3.57Å; K30-Y85 HydrophobicContact CG-CE1 4.49Å; E31-Y85 HydrophobicContact CG-CE2 3.93Å; E31-Y85 WeakPolarHBondContact OE1-CE2 3.43Å; E31-Y85 VanDerWaalsContact OE1-CZ 3.32Å; E31-Y85 PolarHBondContact OE1-OH 2.75Å; H66-Y85 CarbonylContact O-C 3.54Å; H66-Y85 WeakPolarHBondContact O-CA 3.47Å; L82-Y85 HydrophobicContact CD2-CD1 4.01Å; L82-Y85 HydrophobicContact CG-CD1 4.44Å; Y85-T87 HydrophobicContact CD2-CG2 3.87Å; Y85-T87 HydrophobicContact CE2-CG2 3.85Å
86	Q	98.5	Very high	96	Very high	48 Å²	48	74.4 Å²	74.4	22%	0.224	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.7	172.2	-54.2	-179.2	-27.3	0	0	109.5	V65 H66 K89 F98	V65-Q86 CarbonylContact C-O 3.47Å; V65-Q86 VanDerWaalsContact CA-O 3.23Å; V65-Q86 WeakPolarHBondContact CA-O 3.3Å; V65-Q86 WeakPolarHBondContact CB-O 3.43Å; H66-Q86 HydrophobicContact CB-CB 4.29Å; H66-Q86 PolarHBondContact N-O 3.43Å; H66-Q86 PolarHBondContact O-N 2.9Å; Q86-K89 HydrophobicContact CB-CG 4.34Å; Q86-F98 HydrophobicContact CG-CD1 4.14Å; Q86-F98 HydrophobicContact CG-CD2 3.85Å; Q86-F98 HydrophobicContact CG-CE1 4.28Å; Q86-F98 HydrophobicContact CG-CE2 3.99Å; Q86-F98 HydrophobicContact CG-CG 3.94Å; Q86-F98 HydrophobicContact CG-CZ 4.2Å; Q86-F98 VanDerWaalsContact NE2-CB 3.31Å
87	T	96.7	Very high	95.9	Very high	37 Å²	37	77.4 Å²	77.4	23%	0.227	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	174.2	176.5	56	0	0	0	0	111.8	E31 V65 Y85 K89	E31-T87 HydrophobicContact CG-CG2 4.38Å; V65-T87 HydrophobicContact CG1-CG2 4.18Å; Y85-T87 HydrophobicContact CD2-CG2 3.87Å; Y85-T87 HydrophobicContact CE2-CG2 3.85Å; T87-K89 VanDerWaalsContact C-N 3.27Å; T87-K89 PolarHBondContact O-N 2.84Å
88	N	95.1	Very high	96	Very high	131 Å²	131	72.6 Å²	72.6	70%	0.701	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.6	41.6	179.3	-52.1	-46.8	0	0	0	112.7
89	K	97.8	Very high	96	Very high	52 Å²	52	70.1 Å²	70.1	23%	0.226	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	151.3	175.5	-62.8	-64.4	178.9	171.4	0	110.7	F64 Q86 T87 D93	F64-K89 WeakPolarHBondContact CA-O 3.35Å; F64-K89 HydrophobicContact CB-CB 3.94Å; F64-K89 WeakPolarHBondContact CB-O 3.24Å; F64-K89 PolarHBondContact N-O 3.37Å; F64-K89 WeakPolarHBondContact O-CB 3.36Å; F64-K89 PolarHBondContact O-N 2.84Å; Q86-K89 HydrophobicContact CB-CG 4.34Å; T87-K89 VanDerWaalsContact C-N 3.27Å; T87-K89 PolarHBondContact O-N 2.84Å; K89-D93 VanDerWaalsContact CA-OD2 3.3Å; K89-D93 WeakPolarHBondContact CA-OD2 3.46Å; K89-D93 HydrophobicContact CD-CB 4.3Å; K89-D93 VanDerWaalsContact CD-OD2 3.26Å; K89-D93 WeakPolarHBondContact CD-OD2 3.43Å
90	A	95.9	Very high	96	Very high	44 Å²	44	68.5 Å²	68.5	36%	0.364	35%	0.348	S	S	.	.			trans	-97.9	161.4	173.7	0	0	0	0	0	111.5	H92 D93	A90-H92 PolarHBondContact O-N 3.12Å; A90-H92 VanDerWaalsContact O-N 3.08Å; A90-D93 PolarHBondContact N-OD2 3.08Å; A90-D93 WeakPolarHBondContact O-CB 3.38Å; A90-D93 PolarHBondContact O-N 3.1Å; A90-D93 VanDerWaalsContact O-N 3.07Å
91	K	94.3	Very high	95.9	Very high	136 Å²	136	71.2 Å²	71.2	59%	0.591	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-37.4	176.6	-174.7	177.5	178.9	180	0	113.3	K56 F64	K56-K91 PolarHBondContact NZ-O 3.44Å; F64-K91 HydrophobicContact CD2-CB 4.29Å; F64-K91 HydrophobicContact CE2-CB 3.58Å; F64-K91 HydrophobicContact CE2-CG 4.26Å; F64-K91 HydrophobicContact CZ-CB 3.8Å; F64-K91 HydrophobicContact CZ-CG 3.96Å
92	H	94.6	Very high	95.8	Very high	169 Å²	169	71.6 Å²	71.6	78%	0.782	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.9	-174.8	-64.4	-72	0	0	0	114.4	A90 E94	A90-H92 PolarHBondContact O-N 3.12Å; A90-H92 VanDerWaalsContact O-N 3.08Å; H92-E94 PolarHBondContact O-N 3.49Å
93	D	95.8	Very high	95.6	Very high	58 Å²	58	75.8 Å²	75.8	31%	0.31	38%	0.381	S	S	.	.			trans	-63.7	135	179.7	-73.5	-15.6	0	0	0	111	K56 K89 A90	K56-D93 VanDerWaalsContact CE-O 3.26Å; K56-D93 WeakPolarHBondContact CE-O 3.37Å; K56-D93 PolarHBondContact NZ-O 2.94Å; K89-D93 VanDerWaalsContact CA-OD2 3.3Å; K89-D93 WeakPolarHBondContact CA-OD2 3.46Å; K89-D93 HydrophobicContact CD-CB 4.3Å; K89-D93 VanDerWaalsContact CD-OD2 3.26Å; K89-D93 WeakPolarHBondContact CD-OD2 3.43Å; A90-D93 PolarHBondContact N-OD2 3.08Å; A90-D93 WeakPolarHBondContact O-CB 3.38Å; A90-D93 PolarHBondContact O-N 3.1Å; A90-D93 VanDerWaalsContact O-N 3.07Å
94	E	95	Very high	95.5	Very high	136 Å²	136	77.2 Å²	77.2	64%	0.636	38%	0.381	S	S	*	.			trans	-69.3	140.1	179.1	-161.9	-169	158	0	0	111	K44 H66 H92 S96	K44-E94 IonicContact NZ-OE1 2.9Å; K44-E94 PolarHBondContact NZ-OE1 2.76Å; H66-E94 PolarHBondContact CE1-O 3.14Å; H92-E94 PolarHBondContact O-N 3.49Å; E94-S96 PolarHBondContact O-N 2.69Å; E94-S96 VanDerWaalsContact O-N 3.11Å
95	L	94	Very high	95.3	Very high	2 Å²	2	77.9 Å²	77.9	1%	0.01	38%	0.382	C	S	.	.			trans	-79.1	84.1	168.3	-161.7	74.5	0	0	0	109.9	V9 K44 F54 K56 H66	V9-L95 HydrophobicContact CG2-CB 4.49Å; K44-L95 HydrophobicContact CB-CD2 4.24Å; K44-L95 VanDerWaalsContact CD-O 3.23Å; K44-L95 WeakPolarHBondContact CD-O 3.29Å; K44-L95 WeakPolarHBondContact CE-O 3.4Å; K44-L95 HydrophobicContact CG-CD2 4.07Å; K44-L95 PolarHBondContact NZ-O 2.71Å; F54-L95 HydrophobicContact CB-CD1 4.24Å; F54-L95 HydrophobicContact CB-CD2 3.72Å; F54-L95 HydrophobicContact CB-CG 3.8Å; F54-L95 VanDerWaalsContact O-CD2 3.23Å; F54-L95 WeakPolarHBondContact O-CD2 3.2Å; K56-L95 HydrophobicContact CB-CD1 4.13Å; H66-L95 HydrophobicContact CB-CD1 3.97Å
96	S	90.9	Very high	95	Very high	56 Å²	56	80.1 Å²	80.1	39%	0.392	40%	0.397	S	S	.	.			trans	-90.3	171.1	175.5	64.7	0	0	0	0	112.1	E94 F98	E94-S96 PolarHBondContact O-N 2.69Å; E94-S96 VanDerWaalsContact O-N 3.11Å; S96-F98 VanDerWaalsContact O-CD1 3.29Å; S96-F98 WeakPolarHBondContact O-CD1 3.43Å
97	Y	92.6	Very high	94.8	Very high	126 Å²	126	82.8 Å²	82.8	49%	0.494	41%	0.411	S	S	.	.			trans	-67.4	140.6	167.5	-176.5	-82.3	0	0	0	109.9	F54 R68	F54-Y97 HydrophobicContact CE1-CD2 4.07Å; F54-Y97 HydrophobicContact CE1-CG 4.4Å; F54-Y97 HydrophobicContact CE2-CD2 4.24Å; F54-Y97 AromaticContact CZ-CD2 3.4Å; F54-Y97 HydrophobicContact CZ-CD2 3.4Å; F54-Y97 VanDerWaalsContact CZ-CD2 3.4Å; F54-Y97 AromaticContact CZ-CE2 3.9Å; F54-Y97 HydrophobicContact CZ-CE2 3.9Å; F54-Y97 HydrophobicContact CZ-CG 4.15Å; R68-Y97 PolarHBondContact NH1-OH 3.4Å; R68-Y97 PolarHBondContact NH2-OH 3.41Å
98	F	94.4	Very high	94.6	Very high	46 Å²	46	86.9 Å²	86.9	20%	0.202	43%	0.428	C	S	.	.			trans	-147.8	0	169.7	54.1	-88.2	0	0	0	108.7	F54 H66 R68 D84 Q86 S96	F54-F98 HydrophobicContact CD1-CD1 4.3Å; F54-F98 AromaticContact CD1-CE1 3.91Å; F54-F98 HydrophobicContact CD1-CE1 3.91Å; F54-F98 HydrophobicContact CD1-CZ 4.32Å; F54-F98 HydrophobicContact CE1-CE1 4.49Å; H66-F98 HydrophobicContact CB-CE1 3.8Å; H66-F98 HydrophobicContact CB-CZ 3.83Å; H66-F98 WeakPolarHBondContact O-CZ 3.13Å; R68-F98 HydrophobicContact CB-CD2 4.44Å; R68-F98 HydrophobicContact CB-CE2 3.72Å; R68-F98 HydrophobicContact CB-CZ 4.02Å; R68-F98 WeakPolarHBondContact CD-O 3.43Å; R68-F98 PolarHBondContact NH1-O 3.08Å; D84-F98 HydrophobicContact CB-CD2 4.04Å; D84-F98 HydrophobicContact CB-CE2 4.1Å; Q86-F98 HydrophobicContact CG-CD1 4.14Å; Q86-F98 HydrophobicContact CG-CD2 3.85Å; Q86-F98 HydrophobicContact CG-CE1 4.28Å; Q86-F98 HydrophobicContact CG-CE2 3.99Å; Q86-F98 HydrophobicContact CG-CG 3.94Å; Q86-F98 HydrophobicContact CG-CZ 4.2Å; Q86-F98 VanDerWaalsContact NE2-CB 3.31Å; S96-F98 VanDerWaalsContact O-CD1 3.29Å; S96-F98 WeakPolarHBondContact O-CD1 3.43Å

Retrieved 98 of 98 residues in 83.1 ms (Link to these results)

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