A0A077ZG98_TRITR Loading...

PIN domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG98, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 100 aa.

						>A0A077ZG98_TRITR|A0A077ZG98
MCISSVTLMELIYGAEKSQMPERNLAVIEGFVSRIDVLDYDAAAAIHTGQIRAELARQGRPVGPFDQMIAGHARSRGLIIVTNNTREFERVGGLRTEDWS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	95.6	Very high	98.4	Very high	159 Å²	159	52.2 Å²	52.2	78%	0.783	28%	0.28	S	S	*	.				0	153.4	0	-70.7	170	62	0	0	107.3	I35 D36 W99	M1-I35 HydrophobicContact CB-CD1 3.82Å; M1-I35 HydrophobicContact CB-CG1 4.18Å; M1-I35 HydrophobicContact CE-CD1 4.46Å; M1-I35 VanDerWaalsContact O-CG1 3.29Å; M1-I35 WeakPolarHBondContact O-CG1 3.46Å; M1-D36 PolarHBondContact O-N 3.1Å; M1-W99 HydrophobicContact CE-CE3 4.48Å; M1-W99 HydrophobicContact CE-CH2 4.06Å; M1-W99 HydrophobicContact CE-CZ3 3.49Å; M1-W99 VanDerWaalsContact CE-CZ3 3.49Å; M1-W99 HydrophobicContact CG-CH2 4.43Å; M1-W99 HydrophobicContact SD-CH2 3.98Å; M1-W99 HydrophobicContact SD-CZ3 3.76Å
2	C	98.4	Very high	98.4	Very high	45 Å²	45	53.1 Å²	53.1	30%	0.304	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	163.5	178.1	62.9	0	0	0	0	110.7	D36 L38 L78	C2-D36 CarbonylContact C-O 3.58Å; C2-D36 WeakPolarHBondContact CA-O 3.23Å; C2-D36 HydrophobicContact CB-CB 3.93Å; C2-D36 VanDerWaalsContact CB-O 3.23Å; C2-D36 WeakPolarHBondContact CB-O 3.08Å; C2-L38 HydrophobicContact CB-CD1 4.1Å; C2-L38 HydrophobicContact CB-CG 3.95Å; C2-L78 VanDerWaalsContact SG-CD1 3.59Å
3	I	98.7	Very high	98.5	Very high	22 Å²	22	59.5 Å²	59.5	11%	0.113	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152.9	163.9	62.7	171.1	0	0	0	110.3	T7 L8 L11 F31 I35 D36 V37 L38	I3-T7 HydrophobicContact CB-CG2 4.48Å; I3-L8 HydrophobicContact CD1-CB 4.14Å; I3-L11 HydrophobicContact CD1-CD1 4.32Å; I3-F31 HydrophobicContact CD1-CE1 4.31Å; I3-F31 HydrophobicContact CG2-CE1 4.48Å; I3-I35 HydrophobicContact CG1-CG2 4.49Å; I3-I35 HydrophobicContact CG2-CD1 3.98Å; I3-D36 PolarHBondContact N-O 3.28Å; I3-V37 HydrophobicContact CD1-CG2 4.14Å; I3-V37 HydrophobicContact CG1-CB 4.5Å; I3-V37 HydrophobicContact CG1-CG1 4.47Å; I3-V37 HydrophobicContact CG1-CG2 3.94Å; I3-L38 PolarHBondContact O-N 3.47Å
4	S	98.8	Very high	98.5	Very high	12 Å²	12	58.1 Å²	58.1	8%	0.084	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	145.1	166.8	179	0	0	0	0	109.5	V6 T7 L8 H72	S4-V6 PolarHBondContact O-N 3.04Å; S4-V6 VanDerWaalsContact O-N 3.09Å; S4-V6 WeakPolarHBondContact OG-CB 3.41Å; S4-V6 WeakPolarHBondContact OG-CG2 3.33Å; S4-V6 PolarHBondContact OG-N 3.4Å; S4-T7 WeakPolarHBondContact O-CB 3.29Å; S4-T7 PolarHBondContact O-N 3.33Å; S4-L8 PolarHBondContact O-N 3.35Å; S4-L8 VanDerWaalsContact O-N 3.14Å; S4-H72 WeakPolarHBondContact CB-ND1 3.45Å; S4-H72 PolarHBondContact OG-ND1 3.34Å
5	S	98.8	Very high	98.5	Very high	35 Å²	35	54.5 Å²	54.5	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-57.7	-20.8	169.1	65.8	0	0	0	0	113	L8 M9 L38 Y40	S5-L8 WeakPolarHBondContact O-CB 3.46Å; S5-L8 PolarHBondContact O-N 3.48Å; S5-M9 PolarHBondContact O-N 3.31Å; S5-L38 WeakPolarHBondContact CB-O 3.41Å; S5-L38 PolarHBondContact N-O 3.34Å; S5-Y40 PolarHBondContact OG-N 3.24Å
6	V	98.8	Very high	98.5	Very high	9 Å²	9	58.1 Å²	58.1	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-45.5	169.8	-178.6	0	0	0	0	111.5	S4 L8 M9 E10 Y40 F65 M68 I69	S4-V6 PolarHBondContact O-N 3.04Å; S4-V6 VanDerWaalsContact O-N 3.09Å; S4-V6 WeakPolarHBondContact OG-CB 3.41Å; S4-V6 WeakPolarHBondContact OG-CG2 3.33Å; S4-V6 PolarHBondContact OG-N 3.4Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-M9 HydrophobicContact CG1-CE 4.43Å; V6-M9 WeakPolarHBondContact O-CB 3.44Å; V6-M9 PolarHBondContact O-N 3.06Å; V6-E10 PolarHBondContact O-N 3.4Å; V6-E10 VanDerWaalsContact O-N 3.12Å; V6-Y40 HydrophobicContact CG2-CD2 3.94Å; V6-Y40 HydrophobicContact CG2-CG 4.29Å; V6-F65 HydrophobicContact CG1-CB 3.94Å; V6-F65 HydrophobicContact CG1-CD1 4.05Å; V6-F65 HydrophobicContact CG1-CG 4.32Å; V6-M68 HydrophobicContact CG1-CB 4.22Å; V6-M68 HydrophobicContact CG2-CB 3.98Å; V6-M68 HydrophobicContact CG2-CE 3.79Å; V6-M68 HydrophobicContact CG2-SD 4.46Å; V6-I69 HydrophobicContact CB-CG1 4.09Å; V6-I69 HydrophobicContact CG1-CD1 4.31Å; V6-I69 HydrophobicContact CG1-CG1 4.02Å
7	T	98.7	Very high	98.5	Very high	37 Å²	37	63.3 Å²	63.3	23%	0.227	33%	0.326	C	S	.	.	H	α-helix	trans	-66.3	-37.8	175.6	-56.5	0	0	0	0	110.9	I3 S4 M9 E10 L11 I69	I3-T7 HydrophobicContact CB-CG2 4.48Å; S4-T7 WeakPolarHBondContact O-CB 3.29Å; S4-T7 PolarHBondContact O-N 3.33Å; T7-M9 VanDerWaalsContact C-N 3.3Å; T7-M9 PolarHBondContact O-N 2.95Å; T7-E10 PolarHBondContact O-N 2.93Å; T7-L11 HydrophobicContact CG2-CD1 4.37Å; T7-L11 HydrophobicContact CG2-CG 4.49Å; T7-L11 WeakPolarHBondContact O-CG 3.49Å; T7-L11 PolarHBondContact O-N 3.04Å; T7-I69 WeakPolarHBondContact OG1-CD1 3.49Å
8	L	98.8	Very high	98.5	Very high	44 Å²	44	61.4 Å²	61.4	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-58.9	-43.7	173.1	178.7	59.4	0	0	0	111.3	I3 S4 S5 V6 E10 L11 I12 I28 V32 V37	I3-L8 HydrophobicContact CD1-CB 4.14Å; S4-L8 PolarHBondContact O-N 3.35Å; S4-L8 VanDerWaalsContact O-N 3.14Å; S5-L8 WeakPolarHBondContact O-CB 3.46Å; S5-L8 PolarHBondContact O-N 3.48Å; V6-L8 VanDerWaalsContact C-N 3.32Å; L8-E10 VanDerWaalsContact C-N 3.34Å; L8-E10 PolarHBondContact O-N 3.02Å; L8-L11 PolarHBondContact O-N 3.49Å; L8-I12 HydrophobicContact CD1-CD1 4.48Å; L8-I12 HydrophobicContact CD1-CG1 4.06Å; L8-I12 HydrophobicContact CG-CG1 4.39Å; L8-I12 WeakPolarHBondContact O-CG1 3.44Å; L8-I12 PolarHBondContact O-N 2.96Å; L8-I28 HydrophobicContact CD1-CG2 4.21Å; L8-V32 HydrophobicContact CD1-CG2 3.58Å; L8-V37 HydrophobicContact CB-CG1 4.41Å; L8-V37 HydrophobicContact CD2-CG1 3.95Å; L8-V37 HydrophobicContact CD2-CG2 4.36Å
9	M	98.8	Very high	98.5	Very high	80 Å²	80	68.2 Å²	68.2	39%	0.394	35%	0.35	S	S	.	.	H	α-helix	trans	-57.7	-45.3	175	175.1	-77.3	-61.7	0	0	111.8	S5 V6 T7 L11 I12 Y13 F65	S5-M9 PolarHBondContact O-N 3.31Å; V6-M9 HydrophobicContact CG1-CE 4.43Å; V6-M9 WeakPolarHBondContact O-CB 3.44Å; V6-M9 PolarHBondContact O-N 3.06Å; T7-M9 VanDerWaalsContact C-N 3.3Å; T7-M9 PolarHBondContact O-N 2.95Å; M9-L11 PolarHBondContact O-N 2.67Å; M9-I12 PolarHBondContact O-N 3.28Å; M9-Y13 WeakPolarHBondContact O-CB 3.48Å; M9-Y13 PolarHBondContact O-N 3.13Å; M9-F65 HydrophobicContact CE-CD1 3.72Å; M9-F65 HydrophobicContact CE-CD2 4.31Å; M9-F65 HydrophobicContact CE-CE1 3.45Å; M9-F65 VanDerWaalsContact CE-CE1 3.45Å; M9-F65 HydrophobicContact CE-CE2 4.07Å; M9-F65 HydrophobicContact CE-CG 4.16Å; M9-F65 HydrophobicContact CE-CZ 3.64Å
10	E	98.7	Very high	98.5	Very high	70 Å²	70	69.8 Å²	69.8	33%	0.327	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-41.4	177.7	-68.2	-176.2	102.8	0	0	112.4	V6 T7 L8 Y13 G14 F65	V6-E10 PolarHBondContact O-N 3.4Å; V6-E10 VanDerWaalsContact O-N 3.12Å; T7-E10 PolarHBondContact O-N 2.93Å; L8-E10 VanDerWaalsContact C-N 3.34Å; L8-E10 PolarHBondContact O-N 3.02Å; E10-Y13 PolarHBondContact O-N 3.5Å; E10-G14 PolarHBondContact O-N 3.49Å; E10-F65 HydrophobicContact CG-CD2 4.18Å; E10-F65 HydrophobicContact CG-CG 4.46Å
11	L	98.6	Very high	98.5	Very high	61 Å²	61	68.6 Å²	68.6	32%	0.319	35%	0.354	S	S	.	.	H	α-helix	trans	-60.4	-50.3	176.1	-71.3	172.8	0	0	0	111	I3 T7 L8 M9 G14 A15 I28 F31	I3-L11 HydrophobicContact CD1-CD1 4.32Å; T7-L11 HydrophobicContact CG2-CD1 4.37Å; T7-L11 HydrophobicContact CG2-CG 4.49Å; T7-L11 WeakPolarHBondContact O-CG 3.49Å; T7-L11 PolarHBondContact O-N 3.04Å; L8-L11 PolarHBondContact O-N 3.49Å; M9-L11 PolarHBondContact O-N 2.67Å; L11-G14 PolarHBondContact O-N 3.36Å; L11-A15 PolarHBondContact O-N 2.88Å; L11-I28 HydrophobicContact CB-CD1 3.99Å; L11-I28 HydrophobicContact CB-CG1 4.37Å; L11-I28 HydrophobicContact CB-CG2 4.36Å; L11-I28 WeakPolarHBondContact O-CD1 3.49Å; L11-F31 HydrophobicContact CD1-CD1 4.33Å; L11-F31 HydrophobicContact CD1-CE1 4.16Å
12	I	98.7	Very high	98.6	Very high	63 Å²	63	69.2 Å²	69.2	32%	0.323	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-46.4	179.4	-65.9	-66.2	0	0	0	110.6	L8 M9 G14 A15 E16 L25 I28	L8-I12 HydrophobicContact CD1-CD1 4.48Å; L8-I12 HydrophobicContact CD1-CG1 4.06Å; L8-I12 HydrophobicContact CG-CG1 4.39Å; L8-I12 WeakPolarHBondContact O-CG1 3.44Å; L8-I12 PolarHBondContact O-N 2.96Å; M9-I12 PolarHBondContact O-N 3.28Å; I12-G14 VanDerWaalsContact C-N 3.29Å; I12-G14 PolarHBondContact O-N 3.26Å; I12-A15 PolarHBondContact O-N 3.21Å; I12-A15 VanDerWaalsContact O-N 3.17Å; I12-E16 HydrophobicContact CG2-CG 4.17Å; I12-E16 WeakPolarHBondContact O-CB 3.29Å; I12-E16 WeakPolarHBondContact O-CG 3.4Å; I12-E16 PolarHBondContact O-N 3.25Å; I12-L25 HydrophobicContact CD1-CD2 3.71Å; I12-L25 HydrophobicContact CG2-CD2 4.34Å; I12-I28 HydrophobicContact CD1-CD1 4.46Å; I12-I28 HydrophobicContact CD1-CG2 3.94Å
13	Y	98.7	Very high	98.6	Very high	137 Å²	137	74.8 Å²	74.8	54%	0.537	37%	0.369	S	S	.	.	H	α-helix	trans	-56.6	-43.1	174.9	165.7	-110.8	0	0	0	112.1	M9 E10 E16 K17	M9-Y13 WeakPolarHBondContact O-CB 3.48Å; M9-Y13 PolarHBondContact O-N 3.13Å; E10-Y13 PolarHBondContact O-N 3.5Å; Y13-E16 PolarHBondContact O-N 2.93Å; Y13-K17 HydrophobicContact CE1-CD 4.34Å; Y13-K17 HydrophobicContact CE2-CB 4.48Å; Y13-K17 HydrophobicContact CE2-CD 4.02Å; Y13-K17 VanDerWaalsContact O-CB 3.27Å; Y13-K17 WeakPolarHBondContact O-CB 3.32Å; Y13-K17 PolarHBondContact O-N 2.91Å; Y13-K17 WeakPolarHBondContact OH-CD 3.49Å; Y13-K17 PolarHBondContact OH-NZ 2.95Å; Y13-K17 VanDerWaalsContact OH-NZ 3.14Å
14	G	98.6	Very high	98.6	Very high	40 Å²	40	76.4 Å²	76.4	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-61.3	-42.1	176.6	0	0	0	0	0	113.1	E10 L11 I12 S18	E10-G14 PolarHBondContact O-N 3.49Å; L11-G14 PolarHBondContact O-N 3.36Å; I12-G14 VanDerWaalsContact C-N 3.29Å; I12-G14 PolarHBondContact O-N 3.26Å; G14-S18 PolarHBondContact O-N 2.99Å
15	A	98.6	Very high	98.6	Very high	4 Å²	4	78.1 Å²	78.1	3%	0.033	39%	0.386	C	S	.	.	H	α-helix	trans	-67.8	-46.7	175.8	0	0	0	0	0	112.5	L11 I12 K17 S18 P21 N24 L25 I28	L11-A15 PolarHBondContact O-N 2.88Å; I12-A15 PolarHBondContact O-N 3.21Å; I12-A15 VanDerWaalsContact O-N 3.17Å; A15-K17 VanDerWaalsContact C-N 3.26Å; A15-K17 PolarHBondContact O-N 2.92Å; A15-S18 WeakPolarHBondContact O-CB 3.45Å; A15-S18 PolarHBondContact O-N 3.32Å; A15-S18 PolarHBondContact O-OG 3.34Å; A15-P21 WeakPolarHBondContact O-CA 3.47Å; A15-N24 HydrophobicContact CB-CB 3.65Å; A15-L25 HydrophobicContact CB-CD2 3.92Å; A15-L25 HydrophobicContact CB-CG 4.04Å; A15-I28 HydrophobicContact CB-CD1 3.42Å; A15-I28 VanDerWaalsContact CB-CD1 3.42Å
16	E	98.6	Very high	98.6	Very high	111 Å²	111	79.2 Å²	79.2	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-60.3	-37	178.7	-72.5	-70	-179.5	0	0	112.3	I12 Y13 S18	I12-E16 HydrophobicContact CG2-CG 4.17Å; I12-E16 WeakPolarHBondContact O-CB 3.29Å; I12-E16 WeakPolarHBondContact O-CG 3.4Å; I12-E16 PolarHBondContact O-N 3.25Å; Y13-E16 PolarHBondContact O-N 2.93Å; E16-S18 VanDerWaalsContact C-N 3.25Å; E16-S18 PolarHBondContact O-N 3.36Å
17	K	98.4	Very high	98.6	Very high	147 Å²	147	83.3 Å²	83.3	64%	0.639	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.3	177.3	-172.2	172	178.5	-178.1	0	113.7	Y13 A15	Y13-K17 HydrophobicContact CE1-CD 4.34Å; Y13-K17 HydrophobicContact CE2-CB 4.48Å; Y13-K17 HydrophobicContact CE2-CD 4.02Å; Y13-K17 VanDerWaalsContact O-CB 3.27Å; Y13-K17 WeakPolarHBondContact O-CB 3.32Å; Y13-K17 PolarHBondContact O-N 2.91Å; Y13-K17 WeakPolarHBondContact OH-CD 3.49Å; Y13-K17 PolarHBondContact OH-NZ 2.95Å; Y13-K17 VanDerWaalsContact OH-NZ 3.14Å; A15-K17 VanDerWaalsContact C-N 3.26Å; A15-K17 PolarHBondContact O-N 2.92Å
18	S	98.3	Very high	98.6	Very high	30 Å²	30	82.5 Å²	82.5	21%	0.21	42%	0.416	C	S	.	.	S	Bend	trans	-76.7	168.5	-173.6	79.7	0	0	0	0	113.1	G14 A15 E16 M20 P21 N24	G14-S18 PolarHBondContact O-N 2.99Å; A15-S18 WeakPolarHBondContact O-CB 3.45Å; A15-S18 PolarHBondContact O-N 3.32Å; A15-S18 PolarHBondContact O-OG 3.34Å; E16-S18 VanDerWaalsContact C-N 3.25Å; E16-S18 PolarHBondContact O-N 3.36Å; S18-M20 PolarHBondContact O-N 3.34Å; S18-M20 VanDerWaalsContact OG-C 3.32Å; S18-M20 PolarHBondContact OG-N 3.23Å; S18-P21 WeakPolarHBondContact O-CD 3.5Å; S18-P21 WeakPolarHBondContact O-CG 3.39Å; S18-N24 WeakPolarHBondContact CB-ND2 3.29Å; S18-N24 PolarHBondContact OG-ND2 3.32Å
19	Q	98.5	Very high	98.5	Very high	190 Å²	190	87.4 Å²	87.4	89%	0.888	44%	0.438	S	S	*	.	S	Bend	trans	-73.7	-12.1	173.6	-60.8	-64	-3.9	0	0	113.6
20	M	98.3	Very high	98.5	Very high	100 Å²	100	84.7 Å²	84.7	49%	0.493	43%	0.431	S	S	.	.			trans	-135.7	67.3	179.2	-58.6	-175.8	78.5	0	0	110.9	S18 E22 R23 N24	S18-M20 PolarHBondContact O-N 3.34Å; S18-M20 VanDerWaalsContact OG-C 3.32Å; S18-M20 PolarHBondContact OG-N 3.23Å; M20-E22 PolarHBondContact O-N 3.46Å; M20-R23 HydrophobicContact CB-CB 4.07Å; M20-R23 HydrophobicContact CE-CB 4.35Å; M20-R23 PolarHBondContact O-N 3.44Å; M20-N24 PolarHBondContact O-N 3.37Å
21	P	98.5	Very high	98.4	Very high	45 Å²	45	85.8 Å²	85.8	29%	0.292	43%	0.434	S	S	.	.	H	α-helix	trans	-56.1	-50.8	-172.6	-26.8	36.3	0	0	0	113.8	A15 S18 R23 N24 L25	A15-P21 WeakPolarHBondContact O-CA 3.47Å; S18-P21 WeakPolarHBondContact O-CD 3.5Å; S18-P21 WeakPolarHBondContact O-CG 3.39Å; P21-R23 VanDerWaalsContact C-N 3.33Å; P21-R23 PolarHBondContact O-N 3.47Å; P21-N24 PolarHBondContact O-N 2.89Å; P21-N24 VanDerWaalsContact O-N 3.13Å; P21-L25 WeakPolarHBondContact O-CB 3.3Å; P21-L25 VanDerWaalsContact O-CG 3.29Å; P21-L25 WeakPolarHBondContact O-CG 3.34Å; P21-L25 PolarHBondContact O-N 3.26Å
22	E	98.6	Very high	98.4	Very high	172 Å²	172	84.5 Å²	84.5	80%	0.804	43%	0.429	S	S	*	.	H	α-helix	trans	-56.6	-45.6	-179	-64.3	179.7	176.9	0	0	112.4	M20 A26	M20-E22 PolarHBondContact O-N 3.46Å; E22-A26 WeakPolarHBondContact O-CB 3.5Å; E22-A26 PolarHBondContact O-N 2.91Å
23	R	98.6	Very high	98.3	Very high	161 Å²	161	85.9 Å²	85.9	61%	0.608	44%	0.444	S	S	*	.	H	α-helix	trans	-62.4	-46.4	177.9	179.8	-177.3	175.5	-177.7	0.7	111.2	M20 P21 A26 V27	M20-R23 HydrophobicContact CB-CB 4.07Å; M20-R23 HydrophobicContact CE-CB 4.35Å; M20-R23 PolarHBondContact O-N 3.44Å; P21-R23 VanDerWaalsContact C-N 3.33Å; P21-R23 PolarHBondContact O-N 3.47Å; R23-A26 PolarHBondContact O-N 3.4Å; R23-V27 WeakPolarHBondContact O-CG2 3.4Å; R23-V27 PolarHBondContact O-N 2.88Å; R23-V27 VanDerWaalsContact O-N 3.17Å
24	N	98.6	Very high	98.3	Very high	57 Å²	57	89.1 Å²	89.1	31%	0.305	46%	0.455	S	S	.	.	H	α-helix	trans	-72.5	-34.7	-176.2	-72.1	-22	0	0	0	112	A15 S18 M20 P21 V27 I28	A15-N24 HydrophobicContact CB-CB 3.65Å; S18-N24 WeakPolarHBondContact CB-ND2 3.29Å; S18-N24 PolarHBondContact OG-ND2 3.32Å; M20-N24 PolarHBondContact O-N 3.37Å; P21-N24 PolarHBondContact O-N 2.89Å; P21-N24 VanDerWaalsContact O-N 3.13Å; N24-V27 PolarHBondContact O-N 3.43Å; N24-I28 WeakPolarHBondContact O-CG1 3.35Å; N24-I28 PolarHBondContact O-N 2.93Å
25	L	98.7	Very high	98.2	Very high	48 Å²	48	88.5 Å²	88.5	25%	0.251	44%	0.442	S	S	.	.	H	α-helix	trans	-62.1	-43.9	171.7	-73.1	170.4	0	0	0	111.5	I12 A15 P21 V27 I28 E29	I12-L25 HydrophobicContact CD1-CD2 3.71Å; I12-L25 HydrophobicContact CG2-CD2 4.34Å; A15-L25 HydrophobicContact CB-CD2 3.92Å; A15-L25 HydrophobicContact CB-CG 4.04Å; P21-L25 WeakPolarHBondContact O-CB 3.3Å; P21-L25 VanDerWaalsContact O-CG 3.29Å; P21-L25 WeakPolarHBondContact O-CG 3.34Å; P21-L25 PolarHBondContact O-N 3.26Å; L25-V27 VanDerWaalsContact C-N 3.28Å; L25-V27 PolarHBondContact O-N 3.39Å; L25-I28 PolarHBondContact O-N 3.49Å; L25-I28 VanDerWaalsContact O-N 3.13Å; L25-E29 PolarHBondContact O-N 2.81Å
26	A	98.5	Very high	98.2	Very high	58 Å²	58	93.5 Å²	93.5	48%	0.479	47%	0.469	S	S	.	.	H	α-helix	trans	-61.9	-35.9	175.8	0	0	0	0	0	112.6	E22 R23 G30	E22-A26 WeakPolarHBondContact O-CB 3.5Å; E22-A26 PolarHBondContact O-N 2.91Å; R23-A26 PolarHBondContact O-N 3.4Å; A26-G30 PolarHBondContact O-N 3.41Å
27	V	98.5	Very high	98.2	Very high	95 Å²	95	90.4 Å²	90.4	58%	0.576	46%	0.457	S	S	*	.	H	α-helix	trans	-65.1	-44.5	173.1	171.8	0	0	0	0	111	R23 N24 L25 G30 F31	R23-V27 WeakPolarHBondContact O-CG2 3.4Å; R23-V27 PolarHBondContact O-N 2.88Å; R23-V27 VanDerWaalsContact O-N 3.17Å; N24-V27 PolarHBondContact O-N 3.43Å; L25-V27 VanDerWaalsContact C-N 3.28Å; L25-V27 PolarHBondContact O-N 3.39Å; V27-G30 PolarHBondContact O-N 3.07Å; V27-F31 PolarHBondContact O-N 2.88Å
28	I	98.4	Very high	98.3	Very high	20 Å²	20	85.1 Å²	85.1	10%	0.103	44%	0.436	C	S	.	.	H	α-helix	trans	-63.3	-44.5	177.9	-68.3	166.8	0	0	0	110.9	L8 L11 I12 A15 N24 L25 G30 F31 V32	L8-I28 HydrophobicContact CD1-CG2 4.21Å; L11-I28 HydrophobicContact CB-CD1 3.99Å; L11-I28 HydrophobicContact CB-CG1 4.37Å; L11-I28 HydrophobicContact CB-CG2 4.36Å; L11-I28 WeakPolarHBondContact O-CD1 3.49Å; I12-I28 HydrophobicContact CD1-CD1 4.46Å; I12-I28 HydrophobicContact CD1-CG2 3.94Å; A15-I28 HydrophobicContact CB-CD1 3.42Å; A15-I28 VanDerWaalsContact CB-CD1 3.42Å; N24-I28 WeakPolarHBondContact O-CG1 3.35Å; N24-I28 PolarHBondContact O-N 2.93Å; L25-I28 PolarHBondContact O-N 3.49Å; L25-I28 VanDerWaalsContact O-N 3.13Å; I28-G30 VanDerWaalsContact C-N 3.32Å; I28-G30 PolarHBondContact O-N 2.86Å; I28-F31 WeakPolarHBondContact O-CB 3.2Å; I28-F31 PolarHBondContact O-N 2.9Å; I28-V32 HydrophobicContact CG2-CG2 3.91Å; I28-V32 WeakPolarHBondContact O-CB 3.45Å; I28-V32 VanDerWaalsContact O-CG2 3.29Å; I28-V32 WeakPolarHBondContact O-CG2 3.47Å; I28-V32 PolarHBondContact O-N 2.82Å
29	E	97.6	Very high	98.3	Very high	147 Å²	147	89.8 Å²	89.8	69%	0.687	46%	0.458	S	S	*	.	H	α-helix	trans	-58.2	-45.6	176.5	-175	177.1	-151.2	0	0	111.3	L25 F31 V32 S33	L25-E29 PolarHBondContact O-N 2.81Å; E29-F31 VanDerWaalsContact C-N 3.28Å; E29-F31 PolarHBondContact O-N 3.06Å; E29-V32 PolarHBondContact O-N 2.99Å; E29-S33 WeakPolarHBondContact O-CB 3.5Å; E29-S33 PolarHBondContact O-N 2.97Å; E29-S33 PolarHBondContact O-OG 2.93Å
30	G	98	Very high	98.3	Very high	23 Å²	23	83.6 Å²	83.6	24%	0.237	43%	0.427	C	S	.	.	H	α-helix	trans	-60.8	-33.8	174.1	0	0	0	0	0	113.6	A26 V27 I28 S33 R34	A26-G30 PolarHBondContact O-N 3.41Å; V27-G30 PolarHBondContact O-N 3.07Å; I28-G30 VanDerWaalsContact C-N 3.32Å; I28-G30 PolarHBondContact O-N 2.86Å; G30-S33 PolarHBondContact O-OG 3.48Å; G30-R34 PolarHBondContact O-NE 3.38Å; G30-R34 PolarHBondContact O-NH1 3.35Å
31	F	98	Very high	98.3	Very high	93 Å²	93	81.8 Å²	81.8	41%	0.408	42%	0.419	S	S	.	.	H	α-helix	trans	-73.2	-50.4	174.2	170.2	-106.1	0	0	0	112	I3 L11 V27 I28 E29 S33 R34 I35	I3-F31 HydrophobicContact CD1-CE1 4.31Å; I3-F31 HydrophobicContact CG2-CE1 4.48Å; L11-F31 HydrophobicContact CD1-CD1 4.33Å; L11-F31 HydrophobicContact CD1-CE1 4.16Å; V27-F31 PolarHBondContact O-N 2.88Å; I28-F31 WeakPolarHBondContact O-CB 3.2Å; I28-F31 PolarHBondContact O-N 2.9Å; E29-F31 VanDerWaalsContact C-N 3.28Å; E29-F31 PolarHBondContact O-N 3.06Å; F31-S33 VanDerWaalsContact C-N 3.27Å; F31-S33 PolarHBondContact O-N 3.44Å; F31-R34 PolarHBondContact O-N 3.04Å; F31-I35 HydrophobicContact CE1-CG2 4.11Å; F31-I35 HydrophobicContact CZ-CD1 4.36Å; F31-I35 HydrophobicContact CZ-CG2 4.17Å
32	V	97.5	Very high	98.3	Very high	34 Å²	34	83.1 Å²	83.1	21%	0.206	44%	0.435	C	S	.	.	H	α-helix	trans	-62.7	-33.6	-176.1	170.5	0	0	0	0	111.7	L8 I28 E29 R34 I35 V37	L8-V32 HydrophobicContact CD1-CG2 3.58Å; I28-V32 HydrophobicContact CG2-CG2 3.91Å; I28-V32 WeakPolarHBondContact O-CB 3.45Å; I28-V32 VanDerWaalsContact O-CG2 3.29Å; I28-V32 WeakPolarHBondContact O-CG2 3.47Å; I28-V32 PolarHBondContact O-N 2.82Å; E29-V32 PolarHBondContact O-N 2.99Å; V32-R34 PolarHBondContact O-N 3.41Å; V32-I35 PolarHBondContact O-N 3.4Å; V32-V37 HydrophobicContact CG1-CG2 3.59Å
33	S	97.5	Very high	98.4	Very high	92 Å²	92	77 Å²	77	64%	0.643	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-11	174.7	61	0	0	0	0	115.3	E29 G30 F31	E29-S33 WeakPolarHBondContact O-CB 3.5Å; E29-S33 PolarHBondContact O-N 2.97Å; E29-S33 PolarHBondContact O-OG 2.93Å; G30-S33 PolarHBondContact O-OG 3.48Å; F31-S33 VanDerWaalsContact C-N 3.27Å; F31-S33 PolarHBondContact O-N 3.44Å
34	R	97.9	Very high	98.4	Very high	204 Å²	204	69.4 Å²	69.4	77%	0.77	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	0.1	-176.5	-56.5	179.7	-171.7	118	1.5	113.7	G30 F31 V32	G30-R34 PolarHBondContact O-NE 3.38Å; G30-R34 PolarHBondContact O-NH1 3.35Å; F31-R34 PolarHBondContact O-N 3.04Å; V32-R34 PolarHBondContact O-N 3.41Å
35	I	97.8	Very high	98.4	Very high	27 Å²	27	68.8 Å²	68.8	14%	0.138	39%	0.388	C	S	.	.	S	Bend	trans	-139.2	144	-175.8	-166.6	161.2	0	0	0	110	M1 I3 F31 V32 V37	M1-I35 HydrophobicContact CB-CD1 3.82Å; M1-I35 HydrophobicContact CB-CG1 4.18Å; M1-I35 HydrophobicContact CE-CD1 4.46Å; M1-I35 VanDerWaalsContact O-CG1 3.29Å; M1-I35 WeakPolarHBondContact O-CG1 3.46Å; I3-I35 HydrophobicContact CG1-CG2 4.49Å; I3-I35 HydrophobicContact CG2-CD1 3.98Å; F31-I35 HydrophobicContact CE1-CG2 4.11Å; F31-I35 HydrophobicContact CZ-CD1 4.36Å; F31-I35 HydrophobicContact CZ-CG2 4.17Å; V32-I35 PolarHBondContact O-N 3.4Å; I35-V37 PolarHBondContact O-N 2.91Å
36	D	98.5	Very high	98.4	Very high	110 Å²	110	71.3 Å²	71.3	59%	0.588	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	130.9	176.8	-63.4	-44.3	0	0	0	110.1	M1 C2 I3 L38	M1-D36 PolarHBondContact O-N 3.1Å; C2-D36 CarbonylContact C-O 3.58Å; C2-D36 WeakPolarHBondContact CA-O 3.23Å; C2-D36 HydrophobicContact CB-CB 3.93Å; C2-D36 VanDerWaalsContact CB-O 3.23Å; C2-D36 WeakPolarHBondContact CB-O 3.08Å; I3-D36 PolarHBondContact N-O 3.28Å; D36-L38 HydrophobicContact CB-CD2 4.46Å
37	V	98.6	Very high	98.4	Very high	46 Å²	46	71 Å²	71	28%	0.279	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117	167.9	-176.1	0	0	0	0	107.8	I3 L8 V32 I35	I3-V37 HydrophobicContact CD1-CG2 4.14Å; I3-V37 HydrophobicContact CG1-CB 4.5Å; I3-V37 HydrophobicContact CG1-CG1 4.47Å; I3-V37 HydrophobicContact CG1-CG2 3.94Å; L8-V37 HydrophobicContact CB-CG1 4.41Å; L8-V37 HydrophobicContact CD2-CG1 3.95Å; L8-V37 HydrophobicContact CD2-CG2 4.36Å; V32-V37 HydrophobicContact CG1-CG2 3.59Å; I35-V37 PolarHBondContact O-N 2.91Å
38	L	98.8	Very high	98.4	Very high	35 Å²	35	67.1 Å²	67.1	18%	0.183	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.7	177.3	-57	-174.2	0	0	0	110	C2 I3 S5 D36 H72 L78	C2-L38 HydrophobicContact CB-CD1 4.1Å; C2-L38 HydrophobicContact CB-CG 3.95Å; I3-L38 PolarHBondContact O-N 3.47Å; S5-L38 WeakPolarHBondContact CB-O 3.41Å; S5-L38 PolarHBondContact N-O 3.34Å; D36-L38 HydrophobicContact CB-CD2 4.46Å; L38-H72 PolarHBondContact O-CE1 3.11Å; L38-L78 HydrophobicContact CD1-CD1 4.07Å
39	D	98.8	Very high	98.4	Very high	129 Å²	129	68.1 Å²	68.1	69%	0.69	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-67.9	132.2	172.6	-70.4	-31.5	0	0	0	110.8	D41 H72	D39-D41 PolarHBondContact O-N 3.25Å; D39-H72 VanDerWaalsContact C-CE1 3.5Å; D39-H72 PolarHBondContact O-CE1 2.99Å; D39-H72 PolarHBondContact O-NE2 3.41Å
40	Y	98.9	Very high	98.4	Very high	60 Å²	60	65.8 Å²	65.8	24%	0.235	37%	0.37	C	S	.	.			trans	-70.9	93.9	173	-172.9	-89.9	0	0	0	110.2	S5 V6 A44 A45 T48 M68 H72	S5-Y40 PolarHBondContact OG-N 3.24Å; V6-Y40 HydrophobicContact CG2-CD2 3.94Å; V6-Y40 HydrophobicContact CG2-CG 4.29Å; Y40-A44 HydrophobicContact CD1-CB 4.48Å; Y40-A44 HydrophobicContact CD2-CB 3.64Å; Y40-A44 HydrophobicContact CE1-CB 4.5Å; Y40-A44 HydrophobicContact CE2-CB 3.65Å; Y40-A44 HydrophobicContact CG-CB 4.1Å; Y40-A45 HydrophobicContact CE1-CB 3.87Å; Y40-A45 WeakPolarHBondContact OH-CA 3.43Å; Y40-T48 WeakPolarHBondContact OH-CB 3.49Å; Y40-T48 PolarHBondContact OH-OG1 2.95Å; Y40-T48 VanDerWaalsContact OH-OG1 3.04Å; Y40-M68 HydrophobicContact CD1-CE 4.18Å; Y40-M68 HydrophobicContact CD2-CE 4.41Å; Y40-M68 HydrophobicContact CE1-CE 3.88Å; Y40-M68 HydrophobicContact CE2-CB 3.87Å; Y40-M68 HydrophobicContact CE2-CE 4.13Å; Y40-M68 HydrophobicContact CE2-CG 4.39Å; Y40-M68 WeakPolarHBondContact CE2-O 3.32Å; Y40-M68 HydrophobicContact CG-CE 4.42Å; Y40-H72 HydrophobicContact CD2-CB 4.04Å; Y40-H72 AromaticContact CD2-ND1 3.87Å; Y40-H72 HydrophobicContact CE2-CB 4.25Å
41	D	98.8	Very high	98.4	Very high	61 Å²	61	64.8 Å²	64.8	33%	0.326	36%	0.359	S	S	.	.			trans	-89.2	-175.6	-175.1	67.4	25.4	0	0	0	113.8	D39 A43 A44 A45 R76	D39-D41 PolarHBondContact O-N 3.25Å; D41-A43 VanDerWaalsContact C-N 3.31Å; D41-A43 PolarHBondContact O-N 3.04Å; D41-A43 WeakPolarHBondContact OD1-CA 3.34Å; D41-A43 WeakPolarHBondContact OD1-CB 3.37Å; D41-A43 PolarHBondContact OD1-N 3.11Å; D41-A44 WeakPolarHBondContact O-CB 3.17Å; D41-A44 PolarHBondContact O-N 3.41Å; D41-A44 PolarHBondContact OD1-N 2.88Å; D41-A45 PolarHBondContact O-N 3.14Å; D41-R76 IonicContact OD2-NH1 3.67Å
42	A	98.8	Very high	98.3	Very high	74 Å²	74	68.3 Å²	68.3	61%	0.612	37%	0.369	S	S	*	.	H	α-helix	trans	-63.3	-33.3	178.5	0	0	0	0	0	113.4	A45 I46	A42-A45 PolarHBondContact O-N 3.33Å; A42-I46 WeakPolarHBondContact O-CG1 3.34Å; A42-I46 PolarHBondContact O-N 3.48Å
43	A	98.8	Very high	98.3	Very high	44 Å²	44	69.8 Å²	69.8	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-70.1	-41.7	178.7	0	0	0	0	0	110.7	D41 A45 I46 H47 S75	D41-A43 VanDerWaalsContact C-N 3.31Å; D41-A43 PolarHBondContact O-N 3.04Å; D41-A43 WeakPolarHBondContact OD1-CA 3.34Å; D41-A43 WeakPolarHBondContact OD1-CB 3.37Å; D41-A43 PolarHBondContact OD1-N 3.11Å; A43-A45 VanDerWaalsContact C-N 3.33Å; A43-A45 PolarHBondContact O-N 2.92Å; A43-I46 PolarHBondContact O-N 2.86Å; A43-H47 PolarHBondContact O-CD2 2.99Å; A43-H47 VanDerWaalsContact O-CD2 3.25Å; A43-H47 PolarHBondContact O-N 3.24Å; A43-H47 VanDerWaalsContact O-N 3.13Å; A43-S75 WeakPolarHBondContact O-CB 3.34Å
44	A	98.8	Very high	98.2	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-56.4	-47.7	170.5	0	0	0	0	0	111.1	Y40 D41 I46 H47 T48 H72 S75	Y40-A44 HydrophobicContact CD1-CB 4.48Å; Y40-A44 HydrophobicContact CD2-CB 3.64Å; Y40-A44 HydrophobicContact CE1-CB 4.5Å; Y40-A44 HydrophobicContact CE2-CB 3.65Å; Y40-A44 HydrophobicContact CG-CB 4.1Å; D41-A44 WeakPolarHBondContact O-CB 3.17Å; D41-A44 PolarHBondContact O-N 3.41Å; D41-A44 PolarHBondContact OD1-N 2.88Å; A44-I46 PolarHBondContact O-N 3.05Å; A44-H47 PolarHBondContact O-N 3.13Å; A44-T48 PolarHBondContact O-N 3.17Å; A44-T48 PolarHBondContact O-OG1 3.39Å; A44-H72 HydrophobicContact CB-CB 3.94Å; A44-S75 WeakPolarHBondContact CA-OG 3.42Å; A44-S75 PolarHBondContact N-OG 2.91Å
45	A	98.8	Very high	98.1	Very high	44 Å²	44	58.6 Å²	58.6	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-44.6	178.6	0	0	0	0	0	113.8	Y40 D41 A42 A43 T48 G49	Y40-A45 HydrophobicContact CE1-CB 3.87Å; Y40-A45 WeakPolarHBondContact OH-CA 3.43Å; D41-A45 PolarHBondContact O-N 3.14Å; A42-A45 PolarHBondContact O-N 3.33Å; A43-A45 VanDerWaalsContact C-N 3.33Å; A43-A45 PolarHBondContact O-N 2.92Å; A45-T48 PolarHBondContact O-N 3.09Å; A45-G49 PolarHBondContact O-N 2.95Å
46	I	98.9	Very high	98	Very high	102 Å²	102	60.9 Å²	60.9	52%	0.523	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-47	177.2	-70.1	162.5	0	0	0	110.5	A42 A43 A44 G49 Q50	A42-I46 WeakPolarHBondContact O-CG1 3.34Å; A42-I46 PolarHBondContact O-N 3.48Å; A43-I46 PolarHBondContact O-N 2.86Å; A44-I46 PolarHBondContact O-N 3.05Å; I46-G49 PolarHBondContact O-N 3.43Å; I46-Q50 WeakPolarHBondContact O-CG 3.41Å; I46-Q50 PolarHBondContact O-N 3.36Å; I46-Q50 VanDerWaalsContact O-N 3.1Å
47	H	98.7	Very high	97.8	Very high	52 Å²	52	65.2 Å²	65.2	24%	0.241	36%	0.363	C	S	.	.	H	α-helix	trans	-64.5	-42.4	-180	-81.7	-120.7	0	0	0	111.8	A43 A44 G49 Q50 I51 G71 R74 S75	A43-H47 PolarHBondContact O-CD2 2.99Å; A43-H47 VanDerWaalsContact O-CD2 3.25Å; A43-H47 PolarHBondContact O-N 3.24Å; A43-H47 VanDerWaalsContact O-N 3.13Å; A44-H47 PolarHBondContact O-N 3.13Å; H47-G49 VanDerWaalsContact C-N 3.35Å; H47-G49 PolarHBondContact O-N 2.97Å; H47-Q50 PolarHBondContact O-N 3.3Å; H47-I51 WeakPolarHBondContact O-CD1 3.48Å; H47-I51 VanDerWaalsContact O-CG1 3.29Å; H47-I51 WeakPolarHBondContact O-CG1 3.34Å; H47-I51 PolarHBondContact O-N 3Å; H47-G71 VanDerWaalsContact CB-O 3.3Å; H47-G71 WeakPolarHBondContact CB-O 3.23Å; H47-R74 PolarHBondContact ND1-NE 3.28Å; H47-R74 PolarHBondContact O-NH2 2.82Å; H47-S75 PolarHBondContact ND1-N 3.39Å
48	T	98.6	Very high	97.6	Very high	12 Å²	12	66.5 Å²	66.5	7%	0.074	37%	0.366	C	S	.	.	H	α-helix	trans	-60.9	-42.4	174.5	-67	0	0	0	0	112	Y40 A44 A45 Q50 I51 R52 Q67 M68 G71	Y40-T48 WeakPolarHBondContact OH-CB 3.49Å; Y40-T48 PolarHBondContact OH-OG1 2.95Å; Y40-T48 VanDerWaalsContact OH-OG1 3.04Å; A44-T48 PolarHBondContact O-N 3.17Å; A44-T48 PolarHBondContact O-OG1 3.39Å; A45-T48 PolarHBondContact O-N 3.09Å; T48-Q50 PolarHBondContact O-N 3.47Å; T48-I51 PolarHBondContact O-N 3.5Å; T48-R52 VanDerWaalsContact O-CB 3.29Å; T48-R52 WeakPolarHBondContact O-CB 3.42Å; T48-R52 PolarHBondContact O-N 2.97Å; T48-Q67 HydrophobicContact CG2-CB 4.32Å; T48-Q67 WeakPolarHBondContact CG2-O 3.44Å; T48-Q67 PolarHBondContact OG1-O 2.63Å; T48-Q67 VanDerWaalsContact OG1-O 3.11Å; T48-M68 HydrophobicContact CG2-CG 4.04Å; T48-M68 WeakPolarHBondContact OG1-CA 3.48Å; T48-M68 PolarHBondContact OG1-O 3.02Å; T48-G71 WeakPolarHBondContact OG1-CA 3.29Å
49	G	98.2	Very high	97.3	Very high	41 Å²	41	67.8 Å²	67.8	42%	0.423	39%	0.387	S	S	.	.	H	α-helix	trans	-59.5	-44.6	176.9	0	0	0	0	0	112.7	A45 I46 H47 R52 A53	A45-G49 PolarHBondContact O-N 2.95Å; I46-G49 PolarHBondContact O-N 3.43Å; H47-G49 VanDerWaalsContact C-N 3.35Å; H47-G49 PolarHBondContact O-N 2.97Å; G49-R52 PolarHBondContact O-N 3.45Å; G49-A53 WeakPolarHBondContact O-CB 3.38Å; G49-A53 PolarHBondContact O-N 3.02Å
50	Q	98.1	Very high	96.7	Very high	99 Å²	99	67.8 Å²	67.8	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-47.5	175.5	-68.8	167.6	-8.5	0	0	111.9	I46 H47 T48 R52 A53 E54	I46-Q50 WeakPolarHBondContact O-CG 3.41Å; I46-Q50 PolarHBondContact O-N 3.36Å; I46-Q50 VanDerWaalsContact O-N 3.1Å; H47-Q50 PolarHBondContact O-N 3.3Å; T48-Q50 PolarHBondContact O-N 3.47Å; Q50-R52 PolarHBondContact O-N 2.85Å; Q50-A53 PolarHBondContact O-N 3.44Å; Q50-E54 WeakPolarHBondContact O-CB 3.14Å; Q50-E54 PolarHBondContact O-N 3.3Å
51	I	97.2	Very high	96	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	40%	0.398	C	S	.	.	H	α-helix	trans	-59.2	-49.1	177.9	-70.8	164	0	0	0	110.4	H47 T48 A53 E54 L55 A70 G71 R74 V91	H47-I51 WeakPolarHBondContact O-CD1 3.48Å; H47-I51 VanDerWaalsContact O-CG1 3.29Å; H47-I51 WeakPolarHBondContact O-CG1 3.34Å; H47-I51 PolarHBondContact O-N 3Å; T48-I51 PolarHBondContact O-N 3.5Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 3.22Å; I51-E54 PolarHBondContact O-N 3.12Å; I51-E54 VanDerWaalsContact O-N 3.17Å; I51-L55 HydrophobicContact CG2-CD1 3.6Å; I51-L55 HydrophobicContact CG2-CG 4.12Å; I51-L55 WeakPolarHBondContact O-CB 3.46Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 3.22Å; I51-A70 HydrophobicContact CD1-CB 4.3Å; I51-G71 VanDerWaalsContact CD1-CA 3.46Å; I51-R74 VanDerWaalsContact CG1-CZ 3.41Å; I51-R74 VanDerWaalsContact CG1-NH1 3.34Å; I51-V91 HydrophobicContact CB-CG1 4.4Å; I51-V91 HydrophobicContact CD1-CG1 3.59Å; I51-V91 HydrophobicContact CG1-CG1 3.72Å; I51-V91 HydrophobicContact CG2-CG1 3.78Å; I51-V91 HydrophobicContact CG2-CG2 4.06Å
52	R	96.9	Very high	95.6	Very high	167 Å²	167	67.3 Å²	67.3	63%	0.63	39%	0.385	S	S	*	.	H	α-helix	trans	-61.2	-41.4	-178.5	-178.1	173.7	165.6	-167.2	-5.5	111.9	T48 G49 Q50 A56 Q67	T48-R52 VanDerWaalsContact O-CB 3.29Å; T48-R52 WeakPolarHBondContact O-CB 3.42Å; T48-R52 PolarHBondContact O-N 2.97Å; G49-R52 PolarHBondContact O-N 3.45Å; Q50-R52 PolarHBondContact O-N 2.85Å; R52-A56 VanDerWaalsContact O-CB 3.27Å; R52-A56 WeakPolarHBondContact O-CB 3.33Å; R52-A56 PolarHBondContact O-N 3.4Å; R52-Q67 VanDerWaalsContact CD-OE1 3.24Å
53	A	96.9	Very high	95.4	Very high	65 Å²	65	65 Å²	65	54%	0.537	37%	0.369	S	S	.	.	H	α-helix	trans	-64.7	-42	175.1	0	0	0	0	0	112.1	G49 Q50 I51 R57	G49-A53 WeakPolarHBondContact O-CB 3.38Å; G49-A53 PolarHBondContact O-N 3.02Å; Q50-A53 PolarHBondContact O-N 3.44Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 3.22Å; A53-R57 PolarHBondContact O-N 3.49Å; A53-R57 VanDerWaalsContact O-N 3.12Å
54	E	95.9	Very high	95.3	Very high	57 Å²	57	67.1 Å²	67.1	27%	0.266	38%	0.379	S	S	.	.	H	α-helix	trans	-63.6	-49.4	177.3	-177.8	176.2	-170.4	0	0	112.1	Q50 I51 A56 R57 Q58	Q50-E54 WeakPolarHBondContact O-CB 3.14Å; Q50-E54 PolarHBondContact O-N 3.3Å; I51-E54 PolarHBondContact O-N 3.12Å; I51-E54 VanDerWaalsContact O-N 3.17Å; E54-A56 VanDerWaalsContact C-N 3.33Å; E54-A56 PolarHBondContact O-N 2.95Å; E54-R57 WeakPolarHBondContact O-CB 3.48Å; E54-R57 PolarHBondContact O-N 3.28Å; E54-Q58 WeakPolarHBondContact O-CG 3.4Å; E54-Q58 PolarHBondContact O-N 3.44Å; E54-Q58 VanDerWaalsContact O-N 3.11Å; E54-Q58 PolarHBondContact OE1-NE2 3.17Å
55	L	95.6	Very high	95.3	Very high	4 Å²	4	71.4 Å²	71.4	2%	0.021	40%	0.398	C	S	.	.	H	α-helix	trans	-61.5	-40.4	178.6	-72	174.6	0	0	0	112.1	I51 Q58 G59 R60 V62 Q67 R90 V91	I51-L55 HydrophobicContact CG2-CD1 3.6Å; I51-L55 HydrophobicContact CG2-CG 4.12Å; I51-L55 WeakPolarHBondContact O-CB 3.46Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 3.22Å; L55-Q58 PolarHBondContact O-N 2.89Å; L55-G59 PolarHBondContact O-N 2.92Å; L55-G59 VanDerWaalsContact O-N 3.1Å; L55-R60 HydrophobicContact CD2-CB 4.28Å; L55-R60 PolarHBondContact O-N 3.46Å; L55-V62 HydrophobicContact CD1-CB 3.82Å; L55-V62 HydrophobicContact CD1-CG2 3.63Å; L55-V62 HydrophobicContact CD2-CG2 4.19Å; L55-Q67 HydrophobicContact CD1-CG 4.15Å; L55-R90 HydrophobicContact CD2-CB 3.93Å; L55-R90 WeakPolarHBondContact CD2-O 3.28Å; L55-V91 HydrophobicContact CD1-CG2 4.44Å
56	A	95.3	Very high	95.2	Very high	76 Å²	76	70.9 Å²	70.9	63%	0.628	39%	0.389	S	S	*	.	H	α-helix	trans	-61.1	-44.8	175.9	0	0	0	0	0	111.6	R52 E54 Q58 G59	R52-A56 VanDerWaalsContact O-CB 3.27Å; R52-A56 WeakPolarHBondContact O-CB 3.33Å; R52-A56 PolarHBondContact O-N 3.4Å; E54-A56 VanDerWaalsContact C-N 3.33Å; E54-A56 PolarHBondContact O-N 2.95Å; A56-Q58 PolarHBondContact O-N 3.19Å; A56-G59 PolarHBondContact O-N 2.99Å; A56-G59 VanDerWaalsContact O-N 3.15Å
57	R	95.1	Very high	95.1	Very high	200 Å²	200	67.1 Å²	67.1	76%	0.755	37%	0.369	S	S	*	.	H	α-helix	trans	-62	-31.7	176	-178.1	178.4	58.4	121	0.6	112.7	A53 E54	A53-R57 PolarHBondContact O-N 3.49Å; A53-R57 VanDerWaalsContact O-N 3.12Å; E54-R57 WeakPolarHBondContact O-CB 3.48Å; E54-R57 PolarHBondContact O-N 3.28Å
58	Q	93.4	Very high	95.1	Very high	73 Å²	73	67.3 Å²	67.3	34%	0.341	37%	0.371	S	S	.	.	H	α-helix	trans	-84.7	-8	178.7	-66.1	175.3	9.7	0	0	113.6	E54 L55 A56 R60	E54-Q58 WeakPolarHBondContact O-CG 3.4Å; E54-Q58 PolarHBondContact O-N 3.44Å; E54-Q58 VanDerWaalsContact O-N 3.11Å; E54-Q58 PolarHBondContact OE1-NE2 3.17Å; L55-Q58 PolarHBondContact O-N 2.89Å; A56-Q58 PolarHBondContact O-N 3.19Å; Q58-R60 HydrophobicContact CB-CB 4.31Å; Q58-R60 HydrophobicContact CB-CG 4.06Å; Q58-R60 PolarHBondContact O-N 3.34Å
59	G	93	Very high	95.1	Very high	62 Å²	62	67.7 Å²	67.7	64%	0.639	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	28.6	-172.9	0	0	0	0	0	113.2	L55 A56 P61	L55-G59 PolarHBondContact O-N 2.92Å; L55-G59 VanDerWaalsContact O-N 3.1Å; A56-G59 PolarHBondContact O-N 2.99Å; A56-G59 VanDerWaalsContact O-N 3.15Å; G59-P61 WeakPolarHBondContact O-CD 3.29Å
60	R	86.8	Confident	95.1	Very high	129 Å²	129	65.7 Å²	65.7	49%	0.487	35%	0.352	S	S	.	.			trans	-112.8	80.5	-176.5	-70.2	-178.1	-177.5	-178.1	-3.2	110.2	L55 Q58 V62	L55-R60 HydrophobicContact CD2-CB 4.28Å; L55-R60 PolarHBondContact O-N 3.46Å; Q58-R60 HydrophobicContact CB-CB 4.31Å; Q58-R60 HydrophobicContact CB-CG 4.06Å; Q58-R60 PolarHBondContact O-N 3.34Å; R60-V62 PolarHBondContact O-N 2.81Å
61	P	83.1	Confident	95.1	Very high	102 Å²	102	61 Å²	61	66%	0.662	33%	0.33	S	S	*	.			trans	-62.9	141.3	-179.7	26.9	-33.5	0	0	0	110.9	G59 R90	G59-P61 WeakPolarHBondContact O-CD 3.29Å; P61-R90 PolarHBondContact O-NH1 3.41Å
62	V	91.6	Very high	95.2	Very high	9 Å²	9	61.1 Å²	61.1	6%	0.055	33%	0.33	C	S	.	.			trans	-128.4	145.9	169.7	169.3	0	0	0	0	105.9	L55 R60 D66 Q67 E87 R90	L55-V62 HydrophobicContact CD1-CB 3.82Å; L55-V62 HydrophobicContact CD1-CG2 3.63Å; L55-V62 HydrophobicContact CD2-CG2 4.19Å; R60-V62 PolarHBondContact O-N 2.81Å; V62-D66 HydrophobicContact CG1-CB 3.6Å; V62-Q67 HydrophobicContact CB-CG 3.92Å; V62-Q67 HydrophobicContact CG1-CG 3.84Å; V62-Q67 PolarHBondContact O-NE2 3.4Å; V62-E87 VanDerWaalsContact CA-OE1 3.28Å; V62-E87 WeakPolarHBondContact CA-OE1 3.34Å; V62-E87 HydrophobicContact CB-CG 4.16Å; V62-E87 HydrophobicContact CG1-CG 3.84Å; V62-E87 WeakPolarHBondContact CG1-OE1 3.21Å; V62-E87 HydrophobicContact CG2-CG 3.86Å; V62-R90 HydrophobicContact CG2-CB 4.47Å
63	G	94.6	Very high	95.3	Very high	26 Å²	26	53.6 Å²	53.6	27%	0.268	30%	0.304	S	S	.	.			trans	-53.5	146.5	178.1	0	0	0	0	0	112.4	F65 D66 Q67 E87	G63-F65 VanDerWaalsContact C-N 3.34Å; G63-F65 PolarHBondContact O-N 3.31Å; G63-D66 PolarHBondContact O-N 3.17Å; G63-Q67 WeakPolarHBondContact O-CG 3.39Å; G63-Q67 PolarHBondContact O-N 2.98Å; G63-E87 PolarHBondContact N-OE1 3.13Å
64	P	96	Very high	95.3	Very high	89 Å²	89	52.7 Å²	52.7	58%	0.578	29%	0.286	S	S	*	.	H	α-helix	trans	-61.5	-39.3	-175.5	24	-33.5	0	0	0	112.9	Q67 M68	P64-Q67 PolarHBondContact O-N 3.31Å; P64-M68 WeakPolarHBondContact O-CG 3.34Å; P64-M68 PolarHBondContact O-N 2.86Å; P64-M68 VanDerWaalsContact O-N 3.16Å
65	F	97.8	Very high	95.5	Very high	89 Å²	89	51.2 Å²	51.2	39%	0.39	28%	0.282	S	S	.	.	H	α-helix	trans	-71.5	-39.3	177.2	-57.5	-46.2	0	0	0	111.8	V6 M9 E10 G63 Q67 M68 I69	V6-F65 HydrophobicContact CG1-CB 3.94Å; V6-F65 HydrophobicContact CG1-CD1 4.05Å; V6-F65 HydrophobicContact CG1-CG 4.32Å; M9-F65 HydrophobicContact CE-CD1 3.72Å; M9-F65 HydrophobicContact CE-CD2 4.31Å; M9-F65 HydrophobicContact CE-CE1 3.45Å; M9-F65 VanDerWaalsContact CE-CE1 3.45Å; M9-F65 HydrophobicContact CE-CE2 4.07Å; M9-F65 HydrophobicContact CE-CG 4.16Å; M9-F65 HydrophobicContact CE-CZ 3.64Å; E10-F65 HydrophobicContact CG-CD2 4.18Å; E10-F65 HydrophobicContact CG-CG 4.46Å; G63-F65 VanDerWaalsContact C-N 3.34Å; G63-F65 PolarHBondContact O-N 3.31Å; F65-Q67 VanDerWaalsContact C-N 3.3Å; F65-Q67 PolarHBondContact O-N 3.5Å; F65-M68 HydrophobicContact CD1-SD 4.28Å; F65-M68 CarbonylContact O-C 3.59Å; F65-M68 WeakPolarHBondContact O-CA 3.46Å; F65-M68 WeakPolarHBondContact O-CB 3.44Å; F65-M68 PolarHBondContact O-N 2.82Å; F65-I69 WeakPolarHBondContact O-CG1 3.34Å; F65-I69 PolarHBondContact O-N 2.96Å
66	D	97.2	Very high	95.6	Very high	34 Å²	34	57 Å²	57	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-38.4	172.8	-75.4	-15.1	0	0	0	112	V62 G63 M68 I69 A70 F88	V62-D66 HydrophobicContact CG1-CB 3.6Å; G63-D66 PolarHBondContact O-N 3.17Å; D66-M68 VanDerWaalsContact C-N 3.33Å; D66-M68 PolarHBondContact O-N 3.46Å; D66-I69 PolarHBondContact O-N 3.05Å; D66-A70 WeakPolarHBondContact O-CB 3.46Å; D66-A70 PolarHBondContact O-N 3.27Å; D66-F88 HydrophobicContact CB-CE1 4.34Å; D66-F88 HydrophobicContact CB-CE2 4.16Å; D66-F88 HydrophobicContact CB-CZ 3.73Å
67	Q	97.3	Very high	95.7	Very high	22 Å²	22	55.5 Å²	55.5	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-39	172.2	-69.2	174.1	14.1	0	0	112.3	T48 R52 L55 V62 G63 P64 F65 G71	T48-Q67 HydrophobicContact CG2-CB 4.32Å; T48-Q67 WeakPolarHBondContact CG2-O 3.44Å; T48-Q67 PolarHBondContact OG1-O 2.63Å; T48-Q67 VanDerWaalsContact OG1-O 3.11Å; R52-Q67 VanDerWaalsContact CD-OE1 3.24Å; L55-Q67 HydrophobicContact CD1-CG 4.15Å; V62-Q67 HydrophobicContact CB-CG 3.92Å; V62-Q67 HydrophobicContact CG1-CG 3.84Å; V62-Q67 PolarHBondContact O-NE2 3.4Å; G63-Q67 WeakPolarHBondContact O-CG 3.39Å; G63-Q67 PolarHBondContact O-N 2.98Å; P64-Q67 PolarHBondContact O-N 3.31Å; F65-Q67 VanDerWaalsContact C-N 3.3Å; F65-Q67 PolarHBondContact O-N 3.5Å; Q67-G71 PolarHBondContact O-N 3.44Å
68	M	98.7	Very high	95.9	Very high	56 Å²	56	49 Å²	49	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-67.5	-46.6	176.2	-66.9	176.6	74	0	0	111.1	V6 Y40 T48 P64 F65 D66 A70 G71 H72	V6-M68 HydrophobicContact CG1-CB 4.22Å; V6-M68 HydrophobicContact CG2-CB 3.98Å; V6-M68 HydrophobicContact CG2-CE 3.79Å; V6-M68 HydrophobicContact CG2-SD 4.46Å; Y40-M68 HydrophobicContact CD1-CE 4.18Å; Y40-M68 HydrophobicContact CD2-CE 4.41Å; Y40-M68 HydrophobicContact CE1-CE 3.88Å; Y40-M68 HydrophobicContact CE2-CB 3.87Å; Y40-M68 HydrophobicContact CE2-CE 4.13Å; Y40-M68 HydrophobicContact CE2-CG 4.39Å; Y40-M68 WeakPolarHBondContact CE2-O 3.32Å; Y40-M68 HydrophobicContact CG-CE 4.42Å; T48-M68 HydrophobicContact CG2-CG 4.04Å; T48-M68 WeakPolarHBondContact OG1-CA 3.48Å; T48-M68 PolarHBondContact OG1-O 3.02Å; P64-M68 WeakPolarHBondContact O-CG 3.34Å; P64-M68 PolarHBondContact O-N 2.86Å; P64-M68 VanDerWaalsContact O-N 3.16Å; F65-M68 HydrophobicContact CD1-SD 4.28Å; F65-M68 CarbonylContact O-C 3.59Å; F65-M68 WeakPolarHBondContact O-CA 3.46Å; F65-M68 WeakPolarHBondContact O-CB 3.44Å; F65-M68 PolarHBondContact O-N 2.82Å; D66-M68 VanDerWaalsContact C-N 3.33Å; D66-M68 PolarHBondContact O-N 3.46Å; M68-A70 PolarHBondContact O-N 2.91Å; M68-G71 PolarHBondContact O-N 3.37Å; M68-H72 WeakPolarHBondContact O-CB 3.4Å; M68-H72 PolarHBondContact O-N 3.26Å
69	I	98.6	Very high	96.1	Very high	20 Å²	20	48.6 Å²	48.6	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-45.5	177.6	-68.6	162.9	0	0	0	110.6	V6 T7 F65 D66 H72 A73 I80 F88	V6-I69 HydrophobicContact CB-CG1 4.09Å; V6-I69 HydrophobicContact CG1-CD1 4.31Å; V6-I69 HydrophobicContact CG1-CG1 4.02Å; T7-I69 WeakPolarHBondContact OG1-CD1 3.49Å; F65-I69 WeakPolarHBondContact O-CG1 3.34Å; F65-I69 PolarHBondContact O-N 2.96Å; D66-I69 PolarHBondContact O-N 3.05Å; I69-H72 PolarHBondContact O-N 2.97Å; I69-A73 PolarHBondContact O-N 2.87Å; I69-I80 HydrophobicContact CG2-CD1 3.53Å; I69-F88 HydrophobicContact CG2-CE1 4.27Å; I69-F88 HydrophobicContact CG2-CZ 4.31Å
70	A	98.2	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-46.5	176.5	0	0	0	0	0	112.1	I51 D66 M68 H72 A73 R74 F88 V91 L94	I51-A70 HydrophobicContact CD1-CB 4.3Å; D66-A70 WeakPolarHBondContact O-CB 3.46Å; D66-A70 PolarHBondContact O-N 3.27Å; M68-A70 PolarHBondContact O-N 2.91Å; A70-H72 VanDerWaalsContact C-N 3.34Å; A70-A73 PolarHBondContact O-N 3.15Å; A70-R74 VanDerWaalsContact O-CB 3.32Å; A70-R74 WeakPolarHBondContact O-CB 3.29Å; A70-R74 PolarHBondContact O-N 3.21Å; A70-F88 HydrophobicContact CB-CD1 3.96Å; A70-F88 HydrophobicContact CB-CE1 3.83Å; A70-V91 HydrophobicContact CB-CG1 4.22Å; A70-V91 HydrophobicContact CB-CG2 4.06Å; A70-L94 HydrophobicContact CB-CD2 3.94Å
71	G	98.5	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-36	177.8	0	0	0	0	0	113	H47 T48 I51 Q67 M68 R74 S75	H47-G71 VanDerWaalsContact CB-O 3.3Å; H47-G71 WeakPolarHBondContact CB-O 3.23Å; T48-G71 WeakPolarHBondContact OG1-CA 3.29Å; I51-G71 VanDerWaalsContact CD1-CA 3.46Å; Q67-G71 PolarHBondContact O-N 3.44Å; M68-G71 PolarHBondContact O-N 3.37Å; G71-R74 PolarHBondContact O-N 3.09Å; G71-S75 WeakPolarHBondContact O-CB 3.21Å; G71-S75 PolarHBondContact O-N 3.39Å; G71-S75 PolarHBondContact O-OG 3.39Å
72	H	98.8	Very high	97.6	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-45.3	174.8	-161.7	174.4	0	0	0	112	S4 L38 D39 Y40 A44 M68 I69 A70 R74 S75 R76	S4-H72 WeakPolarHBondContact CB-ND1 3.45Å; S4-H72 PolarHBondContact OG-ND1 3.34Å; L38-H72 PolarHBondContact O-CE1 3.11Å; D39-H72 VanDerWaalsContact C-CE1 3.5Å; D39-H72 PolarHBondContact O-CE1 2.99Å; D39-H72 PolarHBondContact O-NE2 3.41Å; Y40-H72 HydrophobicContact CD2-CB 4.04Å; Y40-H72 AromaticContact CD2-ND1 3.87Å; Y40-H72 HydrophobicContact CE2-CB 4.25Å; A44-H72 HydrophobicContact CB-CB 3.94Å; M68-H72 WeakPolarHBondContact O-CB 3.4Å; M68-H72 PolarHBondContact O-N 3.26Å; I69-H72 PolarHBondContact O-N 2.97Å; A70-H72 VanDerWaalsContact C-N 3.34Å; H72-R74 PolarHBondContact O-N 3.46Å; H72-S75 PolarHBondContact O-N 3.16Å; H72-S75 PolarHBondContact O-OG 3.01Å; H72-R76 PolarHBondContact O-N 3.34Å
73	A	98.6	Very high	97.7	Very high	8 Å²	8	45.2 Å²	45.2	7%	0.066	25%	0.25	C	C	.	.	H	α-helix	trans	-64.2	-42.1	174.8	0	0	0	0	0	111.9	I69 A70 S75 R76 G77 L78 I80 L94	I69-A73 PolarHBondContact O-N 2.87Å; A70-A73 PolarHBondContact O-N 3.15Å; A73-S75 PolarHBondContact O-N 3.44Å; A73-R76 CarbonylContact O-C 3.44Å; A73-R76 PolarHBondContact O-N 3.33Å; A73-G77 PolarHBondContact O-N 3.46Å; A73-L78 HydrophobicContact CB-CB 4.24Å; A73-L78 PolarHBondContact O-N 3.44Å; A73-I80 HydrophobicContact CB-CD1 3.38Å; A73-I80 HydrophobicContact CB-CG1 3.51Å; A73-L94 HydrophobicContact CB-CD1 4.05Å
74	R	98.3	Very high	97.6	Very high	46 Å²	46	46.8 Å²	46.8	17%	0.174	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-38.5	178.8	-163.5	175.5	79.4	170.2	6	112.4	H47 I51 A70 G71 H72 R76 G77 G92 L94	H47-R74 PolarHBondContact ND1-NE 3.28Å; H47-R74 PolarHBondContact O-NH2 2.82Å; I51-R74 VanDerWaalsContact CG1-CZ 3.41Å; I51-R74 VanDerWaalsContact CG1-NH1 3.34Å; A70-R74 VanDerWaalsContact O-CB 3.32Å; A70-R74 WeakPolarHBondContact O-CB 3.29Å; A70-R74 PolarHBondContact O-N 3.21Å; G71-R74 PolarHBondContact O-N 3.09Å; H72-R74 PolarHBondContact O-N 3.46Å; R74-R76 PolarHBondContact O-N 3.04Å; R74-G77 PolarHBondContact O-N 2.64Å; R74-G92 PolarHBondContact NH1-O 3.01Å; R74-L94 HydrophobicContact CB-CD1 4.22Å
75	S	98.5	Very high	97.4	Very high	26 Å²	26	44.5 Å²	44.5	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-25.8	179.3	71.6	0	0	0	0	112.8	A43 A44 H47 G71 H72 A73	A43-S75 WeakPolarHBondContact O-CB 3.34Å; A44-S75 WeakPolarHBondContact CA-OG 3.42Å; A44-S75 PolarHBondContact N-OG 2.91Å; H47-S75 PolarHBondContact ND1-N 3.39Å; G71-S75 WeakPolarHBondContact O-CB 3.21Å; G71-S75 PolarHBondContact O-N 3.39Å; G71-S75 PolarHBondContact O-OG 3.39Å; H72-S75 PolarHBondContact O-N 3.16Å; H72-S75 PolarHBondContact O-OG 3.01Å; A73-S75 PolarHBondContact O-N 3.44Å
76	R	98.4	Very high	97.2	Very high	125 Å²	125	49.1 Å²	49.1	47%	0.472	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	1.8	179.2	-57.4	-64.1	-77.5	-105.5	-7	113.5	D41 H72 A73 R74 L78	D41-R76 IonicContact OD2-NH1 3.67Å; H72-R76 PolarHBondContact O-N 3.34Å; A73-R76 CarbonylContact O-C 3.44Å; A73-R76 PolarHBondContact O-N 3.33Å; R74-R76 PolarHBondContact O-N 3.04Å; R76-L78 HydrophobicContact CB-CD1 3.8Å; R76-L78 HydrophobicContact CB-CG 3.75Å; R76-L78 PolarHBondContact O-N 2.98Å
77	G	97.8	Very high	96.9	Very high	45 Å²	45	49.4 Å²	49.4	46%	0.464	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	29.5	-176.3	0	0	0	0	0	113.4	A73 R74 R95	A73-G77 PolarHBondContact O-N 3.46Å; R74-G77 PolarHBondContact O-N 2.64Å; G77-R95 PolarHBondContact O-NH2 3.14Å
78	L	98.5	Very high	96.8	Very high	65 Å²	65	48.6 Å²	48.6	34%	0.34	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-87.3	166.3	-178.5	-62	173.8	0	0	0	112	C2 L38 A73 R76	C2-L78 VanDerWaalsContact SG-CD1 3.59Å; L38-L78 HydrophobicContact CD1-CD1 4.07Å; A73-L78 HydrophobicContact CB-CB 4.24Å; A73-L78 PolarHBondContact O-N 3.44Å; R76-L78 HydrophobicContact CB-CD1 3.8Å; R76-L78 HydrophobicContact CB-CG 3.75Å; R76-L78 PolarHBondContact O-N 2.98Å
79	I	98.3	Very high	96.5	Very high	63 Å²	63	52.4 Å²	52.4	32%	0.323	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131	170.8	-60.8	169.8	0	0	0	107.4	R95 E97	I79-R95 WeakPolarHBondContact CA-O 3.27Å; I79-R95 HydrophobicContact CB-CB 4.45Å; I79-R95 HydrophobicContact CG1-CB 3.91Å; I79-R95 HydrophobicContact CG2-CB 4.46Å; I79-E97 HydrophobicContact CG2-CB 4.11Å; I79-E97 HydrophobicContact CG2-CG 3.79Å
80	I	98	Very high	96.2	Very high	17 Å²	17	55 Å²	55	9%	0.087	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	121.7	169.8	-75.2	-66.5	0	0	0	108.8	I69 A73 T82 F88 L94 R95 T96 E97	I69-I80 HydrophobicContact CG2-CD1 3.53Å; A73-I80 HydrophobicContact CB-CD1 3.38Å; A73-I80 HydrophobicContact CB-CG1 3.51Å; I80-T82 HydrophobicContact CG2-CG2 3.73Å; I80-F88 HydrophobicContact CG1-CD1 4.39Å; I80-F88 HydrophobicContact CG1-CE1 4.44Å; I80-F88 HydrophobicContact CG2-CD1 3.95Å; I80-F88 HydrophobicContact CG2-CD2 4.45Å; I80-F88 HydrophobicContact CG2-CE1 4.13Å; I80-F88 HydrophobicContact CG2-CG 4.1Å; I80-F88 HydrophobicContact CG2-CZ 4.47Å; I80-L94 HydrophobicContact CB-CD2 4.49Å; I80-L94 HydrophobicContact CG1-CD1 4Å; I80-L94 HydrophobicContact CG1-CD2 4.04Å; I80-L94 HydrophobicContact CG1-CG 4.31Å; I80-R95 PolarHBondContact N-O 3.24Å; I80-T96 HydrophobicContact CB-CG2 4.33Å; I80-T96 CarbonylContact O-C 3.53Å; I80-T96 VanDerWaalsContact O-CA 3.23Å; I80-T96 WeakPolarHBondContact O-CA 3.33Å; I80-E97 PolarHBondContact O-N 3.38Å
81	V	98.1	Very high	96	Very high	67 Å²	67	55.3 Å²	55.3	41%	0.406	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.8	167.5	-177.9	0	0	0	0	107.7	E97 W99	V81-E97 WeakPolarHBondContact CA-O 3.41Å; V81-W99 HydrophobicContact CG1-CB 4.17Å; V81-W99 HydrophobicContact CG1-CD2 3.62Å; V81-W99 HydrophobicContact CG1-CE3 3.93Å; V81-W99 HydrophobicContact CG1-CG 3.74Å; V81-W99 HydrophobicContact CG2-CD2 4.16Å; V81-W99 HydrophobicContact CG2-CE3 4.47Å; V81-W99 HydrophobicContact CG2-CH2 4.08Å; V81-W99 HydrophobicContact CG2-CZ2 3.72Å; V81-W99 HydrophobicContact CG2-CZ3 4.44Å
82	T	97.2	Very high	95.7	Very high	21 Å²	21	56.6 Å²	56.6	13%	0.129	29%	0.289	C	S	.	.			trans	-153.6	146.1	-175.4	-173.8	0	0	0	0	111.8	I80 N84 T85 F88 E97	I80-T82 HydrophobicContact CG2-CG2 3.73Å; T82-N84 PolarHBondContact OG1-N 3.12Å; T82-T85 HydrophobicContact CG2-CG2 4.32Å; T82-T85 WeakPolarHBondContact O-CG2 3.49Å; T82-F88 HydrophobicContact CG2-CB 4.3Å; T82-F88 HydrophobicContact CG2-CD2 3.74Å; T82-F88 HydrophobicContact CG2-CE2 4.4Å; T82-F88 HydrophobicContact CG2-CG 4.18Å; T82-E97 PolarHBondContact N-O 3.15Å
83	N	95	Very high	95.5	Very high	127 Å²	127	60 Å²	60	68%	0.679	32%	0.324	S	S	*	.	S	Bend	trans	-88.3	-6	166.6	67.3	-14.1	0	0	0	112.5	T85	N83-T85 VanDerWaalsContact C-N 3.31Å; N83-T85 PolarHBondContact O-N 3.02Å
84	N	92.2	Very high	95.4	Very high	59 Å²	59	60.9 Å²	60.9	32%	0.316	33%	0.328	S	S	.	.			trans	-97.4	46.3	173.4	-166	13	0	0	0	110.9	T82 R86 E87 F88	T82-N84 PolarHBondContact OG1-N 3.12Å; N84-R86 VanDerWaalsContact C-N 3.27Å; N84-R86 PolarHBondContact O-N 2.77Å; N84-E87 VanDerWaalsContact ND2-CB 3.33Å; N84-E87 WeakPolarHBondContact ND2-CB 3.49Å; N84-E87 PolarHBondContact ND2-OE2 2.77Å; N84-E87 PolarHBondContact O-N 3.44Å; N84-E87 WeakPolarHBondContact OD1-CB 3.37Å; N84-F88 PolarHBondContact O-N 2.82Å
85	T	92.1	Very high	95.4	Very high	41 Å²	41	65.4 Å²	65.4	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-50.6	-45.4	-174.9	43.1	0	0	0	0	112.5	T82 N83 E87 F88 E89 D98	T82-T85 HydrophobicContact CG2-CG2 4.32Å; T82-T85 WeakPolarHBondContact O-CG2 3.49Å; N83-T85 VanDerWaalsContact C-N 3.31Å; N83-T85 PolarHBondContact O-N 3.02Å; T85-E87 PolarHBondContact O-N 3.11Å; T85-E87 VanDerWaalsContact O-N 3.09Å; T85-F88 PolarHBondContact O-N 3.27Å; T85-F88 VanDerWaalsContact O-N 3.15Å; T85-E89 WeakPolarHBondContact O-CB 3.48Å; T85-E89 VanDerWaalsContact O-CG 3.29Å; T85-E89 WeakPolarHBondContact O-CG 3.49Å; T85-E89 PolarHBondContact O-N 3.2Å; T85-D98 HydrophobicContact CG2-CB 3.9Å
86	R	92.1	Very high	95.3	Very high	186 Å²	186	66.4 Å²	66.4	70%	0.702	35%	0.35	S	S	*	.	H	α-helix	trans	-56.6	-28.7	-179.7	-171.6	178.5	-177.9	-173.3	1.7	114.4	N84 R90	N84-R86 VanDerWaalsContact C-N 3.27Å; N84-R86 PolarHBondContact O-N 2.77Å; R86-R90 PolarHBondContact O-NE 3.1Å
87	E	92.1	Very high	95.3	Very high	39 Å²	39	64.4 Å²	64.4	18%	0.182	35%	0.346	C	S	.	.	H	α-helix	trans	-81.9	-44.9	179.2	-166.4	158.9	160.3	0	0	111.1	V62 G63 N84 T85 R90	V62-E87 VanDerWaalsContact CA-OE1 3.28Å; V62-E87 WeakPolarHBondContact CA-OE1 3.34Å; V62-E87 HydrophobicContact CB-CG 4.16Å; V62-E87 HydrophobicContact CG1-CG 3.84Å; V62-E87 WeakPolarHBondContact CG1-OE1 3.21Å; V62-E87 HydrophobicContact CG2-CG 3.86Å; G63-E87 PolarHBondContact N-OE1 3.13Å; N84-E87 VanDerWaalsContact ND2-CB 3.33Å; N84-E87 WeakPolarHBondContact ND2-CB 3.49Å; N84-E87 PolarHBondContact ND2-OE2 2.77Å; N84-E87 PolarHBondContact O-N 3.44Å; N84-E87 WeakPolarHBondContact OD1-CB 3.37Å; T85-E87 PolarHBondContact O-N 3.11Å; T85-E87 VanDerWaalsContact O-N 3.09Å; E87-R90 WeakPolarHBondContact O-CB 3.27Å; E87-R90 PolarHBondContact O-N 3.35Å
88	F	94.5	Very high	95.2	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-73.1	-27.7	179.5	-76.7	-87.7	0	0	0	113.8	D66 I69 A70 I80 T82 N84 T85 R90 V91 L94 T96	D66-F88 HydrophobicContact CB-CE1 4.34Å; D66-F88 HydrophobicContact CB-CE2 4.16Å; D66-F88 HydrophobicContact CB-CZ 3.73Å; I69-F88 HydrophobicContact CG2-CE1 4.27Å; I69-F88 HydrophobicContact CG2-CZ 4.31Å; A70-F88 HydrophobicContact CB-CD1 3.96Å; A70-F88 HydrophobicContact CB-CE1 3.83Å; I80-F88 HydrophobicContact CG1-CD1 4.39Å; I80-F88 HydrophobicContact CG1-CE1 4.44Å; I80-F88 HydrophobicContact CG2-CD1 3.95Å; I80-F88 HydrophobicContact CG2-CD2 4.45Å; I80-F88 HydrophobicContact CG2-CE1 4.13Å; I80-F88 HydrophobicContact CG2-CG 4.1Å; I80-F88 HydrophobicContact CG2-CZ 4.47Å; T82-F88 HydrophobicContact CG2-CB 4.3Å; T82-F88 HydrophobicContact CG2-CD2 3.74Å; T82-F88 HydrophobicContact CG2-CE2 4.4Å; T82-F88 HydrophobicContact CG2-CG 4.18Å; N84-F88 PolarHBondContact O-N 2.82Å; T85-F88 PolarHBondContact O-N 3.27Å; T85-F88 VanDerWaalsContact O-N 3.15Å; F88-R90 PolarHBondContact O-N 3.06Å; F88-R90 VanDerWaalsContact O-N 3.11Å; F88-V91 WeakPolarHBondContact O-CB 3.47Å; F88-V91 PolarHBondContact O-N 3.49Å; F88-L94 HydrophobicContact CB-CD2 4.24Å; F88-L94 HydrophobicContact CD1-CD2 3.74Å; F88-L94 HydrophobicContact CG-CD2 4.48Å; F88-T96 HydrophobicContact CB-CG2 3.83Å
89	E	93.2	Very high	95.1	Very high	135 Å²	135	69.9 Å²	69.9	63%	0.631	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20	172.7	-80.2	176.2	171	0	0	113.5	T85 V91	T85-E89 WeakPolarHBondContact O-CB 3.48Å; T85-E89 VanDerWaalsContact O-CG 3.29Å; T85-E89 WeakPolarHBondContact O-CG 3.49Å; T85-E89 PolarHBondContact O-N 3.2Å; E89-V91 PolarHBondContact O-N 2.9Å
90	R	92.3	Very high	94.7	Very high	74 Å²	74	74 Å²	74	28%	0.279	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.2	176.2	-58.5	168.2	-171.1	-179.4	2.6	112.3	L55 P61 V62 R86 E87 F88	L55-R90 HydrophobicContact CD2-CB 3.93Å; L55-R90 WeakPolarHBondContact CD2-O 3.28Å; P61-R90 PolarHBondContact O-NH1 3.41Å; V62-R90 HydrophobicContact CG2-CB 4.47Å; R86-R90 PolarHBondContact O-NE 3.1Å; E87-R90 WeakPolarHBondContact O-CB 3.27Å; E87-R90 PolarHBondContact O-N 3.35Å; F88-R90 PolarHBondContact O-N 3.06Å; F88-R90 VanDerWaalsContact O-N 3.11Å
91	V	94.4	Very high	94.6	Very high	7 Å²	7	76.9 Å²	76.9	4%	0.042	40%	0.404	C	S	.	.	S	Bend	trans	-85.5	115	-177.1	-178.1	0	0	0	0	110	I51 L55 A70 F88 E89 G93 L94	I51-V91 HydrophobicContact CB-CG1 4.4Å; I51-V91 HydrophobicContact CD1-CG1 3.59Å; I51-V91 HydrophobicContact CG1-CG1 3.72Å; I51-V91 HydrophobicContact CG2-CG1 3.78Å; I51-V91 HydrophobicContact CG2-CG2 4.06Å; L55-V91 HydrophobicContact CD1-CG2 4.44Å; A70-V91 HydrophobicContact CB-CG1 4.22Å; A70-V91 HydrophobicContact CB-CG2 4.06Å; F88-V91 WeakPolarHBondContact O-CB 3.47Å; F88-V91 PolarHBondContact O-N 3.49Å; E89-V91 PolarHBondContact O-N 2.9Å; V91-G93 PolarHBondContact O-N 3.25Å; V91-L94 HydrophobicContact CB-CB 4.16Å; V91-L94 HydrophobicContact CB-CD2 3.99Å; V91-L94 HydrophobicContact CG1-CB 4.01Å; V91-L94 HydrophobicContact CG1-CD2 4.15Å; V91-L94 HydrophobicContact CG2-CD2 4.49Å
92	G	92.4	Very high	94.4	Very high	28 Å²	28	77.4 Å²	77.4	29%	0.289	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	134	176.6	0	0	0	0	0	113.1	R74	R74-G92 PolarHBondContact NH1-O 3.01Å
93	G	94.3	Very high	94.2	Very high	75 Å²	75	80.6 Å²	80.6	77%	0.773	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	21.6	175.6	0	0	0	0	0	114.6	V91	V91-G93 PolarHBondContact O-N 3.25Å
94	L	96.6	Very high	94.2	Very high	26 Å²	26	77.8 Å²	77.8	14%	0.136	40%	0.404	C	S	.	.			trans	-108.1	140.1	177.3	-169.1	68.5	0	0	0	110.6	A70 A73 R74 I80 F88 V91 T96	A70-L94 HydrophobicContact CB-CD2 3.94Å; A73-L94 HydrophobicContact CB-CD1 4.05Å; R74-L94 HydrophobicContact CB-CD1 4.22Å; I80-L94 HydrophobicContact CB-CD2 4.49Å; I80-L94 HydrophobicContact CG1-CD1 4Å; I80-L94 HydrophobicContact CG1-CD2 4.04Å; I80-L94 HydrophobicContact CG1-CG 4.31Å; F88-L94 HydrophobicContact CB-CD2 4.24Å; F88-L94 HydrophobicContact CD1-CD2 3.74Å; F88-L94 HydrophobicContact CG-CD2 4.48Å; V91-L94 HydrophobicContact CB-CB 4.16Å; V91-L94 HydrophobicContact CB-CD2 3.99Å; V91-L94 HydrophobicContact CG1-CB 4.01Å; V91-L94 HydrophobicContact CG1-CD2 4.15Å; V91-L94 HydrophobicContact CG2-CD2 4.49Å; L94-T96 HydrophobicContact CD2-CG2 4.28Å; L94-T96 HydrophobicContact CG-CG2 4.42Å
95	R	97	Very high	94.3	Very high	142 Å²	142	79 Å²	79	54%	0.536	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.1	172.6	-61.5	-178.1	-64.6	162	-0.6	109	G77 I79 I80	G77-R95 PolarHBondContact O-NH2 3.14Å; I79-R95 WeakPolarHBondContact CA-O 3.27Å; I79-R95 HydrophobicContact CB-CB 4.45Å; I79-R95 HydrophobicContact CG1-CB 3.91Å; I79-R95 HydrophobicContact CG2-CB 4.46Å; I80-R95 PolarHBondContact N-O 3.24Å
96	T	97.3	Very high	94.5	Very high	47 Å²	47	81.5 Å²	81.5	29%	0.288	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.5	-175.8	53.9	0	0	0	0	111.7	I80 F88 L94	I80-T96 HydrophobicContact CB-CG2 4.33Å; I80-T96 CarbonylContact O-C 3.53Å; I80-T96 VanDerWaalsContact O-CA 3.23Å; I80-T96 WeakPolarHBondContact O-CA 3.33Å; F88-T96 HydrophobicContact CB-CG2 3.83Å; L94-T96 HydrophobicContact CD2-CG2 4.28Å; L94-T96 HydrophobicContact CG-CG2 4.42Å
97	E	97.6	Very high	94.6	Very high	83 Å²	83	74.1 Å²	74.1	39%	0.388	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.9	170.2	-74.7	178.1	-160.9	0	0	110	I79 I80 V81 T82 W99	I79-E97 HydrophobicContact CG2-CB 4.11Å; I79-E97 HydrophobicContact CG2-CG 3.79Å; I80-E97 PolarHBondContact O-N 3.38Å; V81-E97 WeakPolarHBondContact CA-O 3.41Å; T82-E97 PolarHBondContact N-O 3.15Å; E97-W99 PolarHBondContact OE2-NE1 3.32Å
98	D	96.9	Very high	94.8	Very high	76 Å²	76	76.8 Å²	76.8	41%	0.406	42%	0.416	S	S	.	.			trans	-121.3	127.1	172.2	-168	-18.9	0	0	0	108.7	T85 S100	T85-D98 HydrophobicContact CG2-CB 3.9Å; D98-S100 WeakPolarHBondContact OD1-CB 3.21Å; D98-S100 PolarHBondContact OD1-N 2.99Å; D98-S100 PolarHBondContact OD1-OG 3.39Å
99	W	96.1	Very high	94.9	Very high	149 Å²	149	82.7 Å²	82.7	56%	0.564	45%	0.449	S	S	*	.			trans	-117.8	12.6	-177.7	-61.9	-5.6	0	0	0	112.6	M1 V81 E97	M1-W99 HydrophobicContact CE-CE3 4.48Å; M1-W99 HydrophobicContact CE-CH2 4.06Å; M1-W99 HydrophobicContact CE-CZ3 3.49Å; M1-W99 VanDerWaalsContact CE-CZ3 3.49Å; M1-W99 HydrophobicContact CG-CH2 4.43Å; M1-W99 HydrophobicContact SD-CH2 3.98Å; M1-W99 HydrophobicContact SD-CZ3 3.76Å; V81-W99 HydrophobicContact CG1-CB 4.17Å; V81-W99 HydrophobicContact CG1-CD2 3.62Å; V81-W99 HydrophobicContact CG1-CE3 3.93Å; V81-W99 HydrophobicContact CG1-CG 3.74Å; V81-W99 HydrophobicContact CG2-CD2 4.16Å; V81-W99 HydrophobicContact CG2-CE3 4.47Å; V81-W99 HydrophobicContact CG2-CH2 4.08Å; V81-W99 HydrophobicContact CG2-CZ2 3.72Å; V81-W99 HydrophobicContact CG2-CZ3 4.44Å; E97-W99 PolarHBondContact OE2-NE1 3.32Å
100	S	90.2	Very high	95	Very high	150 Å²	150	77.9 Å²	77.9	100%	1.049	43%	0.432	S	S	*	.			trans	-75.1	0	-179.7	56.7	0	0	0	0	114.5	D98	D98-S100 WeakPolarHBondContact OD1-CB 3.21Å; D98-S100 PolarHBondContact OD1-N 2.99Å; D98-S100 PolarHBondContact OD1-OG 3.39Å

Retrieved 100 of 100 residues in 46 ms (Link to these results)

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