A0A5K4F4W4_SCHMA Loading...

Toxin_TOLIP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4W4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 aa.

						>A0A5K4F4W4_SCHMA|A0A5K4F4W4
MESNIKILLTILVFVMNTDYTFSVRCYECDLCPFPFNRSSSVVSIRSGCKWCVSLSVGSPYFTTKRCAGWCESKEFFKEYSNYNYTCCNTDLCNVSSKICTTYKILFLPLLIIYFYFNVEK
					

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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	61	Low	78.6	Confident	192 Å²	192	105.7 Å²	105.7	95%	0.946	55%	0.551	S	S	*	*				0	-49	0	-150.9	172.7	-70.9	0	0	111	S3 N4 I5	M1-S3 PolarHBondContact O-N 3.39Å; M1-N4 PolarHBondContact O-N 3.48Å; M1-N4 VanDerWaalsContact O-N 3.16Å; M1-I5 PolarHBondContact O-N 3.36Å
2	E	73.2	Confident	78.4	Confident	128 Å²	128	101.3 Å²	101.3	60%	0.598	53%	0.528	S	S	*	.	H	α-helix	trans	-55.7	-40.4	179.7	-153	-168.4	141.9	0	0	114.7	I5 K6	E2-I5 PolarHBondContact O-N 2.78Å; E2-K6 PolarHBondContact O-N 2.78Å; E2-K6 WeakPolarHBondContact OE1-CE 3.23Å; E2-K6 IonicContact OE1-NZ 3.02Å; E2-K6 PolarHBondContact OE1-NZ 2.94Å
3	S	77.7	Confident	77.9	Confident	77 Å²	77	99.3 Å²	99.3	54%	0.538	52%	0.522	S	S	.	.	H	α-helix	trans	-64.5	-40.3	177.4	-172.5	0	0	0	0	112.8	M1 I5 K6 I7	M1-S3 PolarHBondContact O-N 3.39Å; S3-I5 VanDerWaalsContact C-N 3.32Å; S3-I5 PolarHBondContact O-N 2.74Å; S3-K6 PolarHBondContact O-N 3.09Å; S3-I7 WeakPolarHBondContact O-CG1 3.34Å; S3-I7 PolarHBondContact O-N 3.45Å
4	N	84	Confident	77.3	Confident	115 Å²	115	102.6 Å²	102.6	62%	0.615	53%	0.531	S	S	*	.	H	α-helix	trans	-65.7	-36.5	176.9	-66.4	-12.3	0	0	0	111.6	M1 I7 L8	M1-N4 PolarHBondContact O-N 3.48Å; M1-N4 VanDerWaalsContact O-N 3.16Å; N4-I7 PolarHBondContact O-N 3.43Å; N4-L8 WeakPolarHBondContact O-CB 3.47Å; N4-L8 PolarHBondContact O-N 3.16Å
5	I	81.2	Confident	76.8	Confident	77 Å²	77	99.5 Å²	99.5	40%	0.395	52%	0.518	S	S	.	.	H	α-helix	trans	-65.8	-44.5	176.2	-64.2	171.4	0	0	0	110.4	M1 E2 S3 I7 L8 L9	M1-I5 PolarHBondContact O-N 3.36Å; E2-I5 PolarHBondContact O-N 2.78Å; S3-I5 VanDerWaalsContact C-N 3.32Å; S3-I5 PolarHBondContact O-N 2.74Å; I5-I7 VanDerWaalsContact C-N 3.33Å; I5-I7 PolarHBondContact O-N 3.32Å; I5-L8 PolarHBondContact O-N 3.04Å; I5-L9 HydrophobicContact CG2-CD1 3.92Å; I5-L9 HydrophobicContact CG2-CG 4.32Å; I5-L9 WeakPolarHBondContact O-CB 3.35Å; I5-L9 WeakPolarHBondContact O-CG 3.04Å; I5-L9 PolarHBondContact O-N 2.85Å
6	K	79.2	Confident	76.1	Confident	119 Å²	119	98.1 Å²	98.1	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-60.8	-41	176.4	-72.8	176.2	-175	167.9	0	112.3	E2 S3 T10	E2-K6 PolarHBondContact O-N 2.78Å; E2-K6 WeakPolarHBondContact OE1-CE 3.23Å; E2-K6 IonicContact OE1-NZ 3.02Å; E2-K6 PolarHBondContact OE1-NZ 2.94Å; S3-K6 PolarHBondContact O-N 3.09Å; K6-T10 WeakPolarHBondContact O-CB 3.19Å; K6-T10 PolarHBondContact O-N 3.3Å; K6-T10 PolarHBondContact O-OG1 3.05Å
7	I	84.3	Confident	74.9	Confident	91 Å²	91	99.6 Å²	99.6	47%	0.467	52%	0.518	S	S	.	.	H	α-helix	trans	-64.1	-48.6	175.4	-66.4	166.5	0	0	0	110	S3 N4 I5 L9 T10 I11	S3-I7 WeakPolarHBondContact O-CG1 3.34Å; S3-I7 PolarHBondContact O-N 3.45Å; N4-I7 PolarHBondContact O-N 3.43Å; I5-I7 VanDerWaalsContact C-N 3.33Å; I5-I7 PolarHBondContact O-N 3.32Å; I7-L9 PolarHBondContact O-N 3.37Å; I7-T10 PolarHBondContact O-N 3.22Å; I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 WeakPolarHBondContact O-CG1 3.35Å; I7-I11 PolarHBondContact O-N 3.49Å
8	L	83.1	Confident	73.8	Confident	111 Å²	111	97.1 Å²	97.1	58%	0.581	51%	0.508	S	S	*	.	H	α-helix	trans	-59.5	-44.6	179.4	-173.4	66.5	0	0	0	112	N4 I5 I11 L12	N4-L8 WeakPolarHBondContact O-CB 3.47Å; N4-L8 PolarHBondContact O-N 3.16Å; I5-L8 PolarHBondContact O-N 3.04Å; L8-I11 PolarHBondContact O-N 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.14Å; L8-L12 PolarHBondContact O-N 3.43Å
9	L	80.3	Confident	72.7	Confident	62 Å²	62	97.8 Å²	97.8	33%	0.325	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-43.1	176.1	-74	171.6	0	0	0	111.7	I5 I7 I11 L12 V13 I112	I5-L9 HydrophobicContact CG2-CD1 3.92Å; I5-L9 HydrophobicContact CG2-CG 4.32Å; I5-L9 WeakPolarHBondContact O-CB 3.35Å; I5-L9 WeakPolarHBondContact O-CG 3.04Å; I5-L9 PolarHBondContact O-N 2.85Å; I7-L9 PolarHBondContact O-N 3.37Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 3.36Å; L9-L12 PolarHBondContact O-N 3.11Å; L9-V13 WeakPolarHBondContact O-CB 3.4Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.21Å; L9-V13 PolarHBondContact O-N 2.95Å; L9-I112 HydrophobicContact CD2-CG2 4.18Å
10	T	79.9	Confident	71.7	Confident	96 Å²	96	100 Å²	100	59%	0.589	51%	0.514	S	S	*	.	H	α-helix	trans	-60.9	-43.7	176	-55.7	0	0	0	0	111.4	K6 I7 V13 F14	K6-T10 WeakPolarHBondContact O-CB 3.19Å; K6-T10 PolarHBondContact O-N 3.3Å; K6-T10 PolarHBondContact O-OG1 3.05Å; I7-T10 PolarHBondContact O-N 3.22Å; T10-V13 PolarHBondContact O-N 3.42Å; T10-F14 WeakPolarHBondContact O-CB 3.39Å; T10-F14 PolarHBondContact O-N 2.93Å
11	I	81.1	Confident	70.9	Confident	95 Å²	95	99.1 Å²	99.1	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-63	-44.1	176.2	-66.6	168.2	0	0	0	110.3	I7 L8 L9 F14 V15	I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 WeakPolarHBondContact O-CG1 3.35Å; I7-I11 PolarHBondContact O-N 3.49Å; L8-I11 PolarHBondContact O-N 3.3Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 3.36Å; I11-F14 CarbonylContact O-C 3.58Å; I11-F14 PolarHBondContact O-N 3.49Å; I11-V15 HydrophobicContact CG2-CG2 4.12Å; I11-V15 WeakPolarHBondContact O-CB 3.36Å; I11-V15 VanDerWaalsContact O-CG2 3.22Å; I11-V15 WeakPolarHBondContact O-CG2 3.47Å; I11-V15 PolarHBondContact O-N 2.94Å
12	L	76	Confident	71.2	Confident	53 Å²	53	96.7 Å²	96.7	28%	0.277	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-43.1	178.5	-118.3	145.6	0	0	0	112.1	L8 L9 F14 V15 M16 I112	L8-L12 WeakPolarHBondContact O-CB 3.14Å; L8-L12 PolarHBondContact O-N 3.43Å; L9-L12 PolarHBondContact O-N 3.11Å; L12-F14 VanDerWaalsContact C-N 3.33Å; L12-V15 PolarHBondContact O-N 3.43Å; L12-M16 HydrophobicContact CD2-CE 4.02Å; L12-M16 HydrophobicContact CD2-SD 4.37Å; L12-M16 WeakPolarHBondContact O-CB 3.44Å; L12-M16 VanDerWaalsContact O-CG 3.27Å; L12-M16 WeakPolarHBondContact O-CG 3.3Å; L12-M16 PolarHBondContact O-N 2.74Å; L12-I112 HydrophobicContact CD1-CD1 4.35Å; L12-I112 HydrophobicContact CD2-CD1 3.67Å
13	V	72	Confident	71.7	Confident	75 Å²	75	94.3 Å²	94.3	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-61.6	-44.1	173	171	0	0	0	0	109.8	L9 T10 M16 N17	L9-V13 WeakPolarHBondContact O-CB 3.4Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.21Å; L9-V13 PolarHBondContact O-N 2.95Å; T10-V13 PolarHBondContact O-N 3.42Å; V13-M16 PolarHBondContact O-N 2.97Å; V13-N17 WeakPolarHBondContact CG1-ND2 3.29Å; V13-N17 VanDerWaalsContact O-CB 3.28Å; V13-N17 WeakPolarHBondContact O-CB 3.46Å; V13-N17 PolarHBondContact O-N 3.28Å; V13-N17 PolarHBondContact O-ND2 2.87Å
14	F	69.3	Low	72.2	Confident	146 Å²	146	91 Å²	91	64%	0.64	47%	0.472	S	S	*	.	H	α-helix	trans	-63.4	-46.6	177.2	-165.6	-94.4	0	0	0	111.6	T10 I11 L12 M16 N17 T18	T10-F14 WeakPolarHBondContact O-CB 3.39Å; T10-F14 PolarHBondContact O-N 2.93Å; I11-F14 CarbonylContact O-C 3.58Å; I11-F14 PolarHBondContact O-N 3.49Å; L12-F14 VanDerWaalsContact C-N 3.33Å; F14-M16 VanDerWaalsContact C-N 3.3Å; F14-M16 PolarHBondContact O-N 3.09Å; F14-N17 CarbonylContact O-C 3.59Å; F14-N17 PolarHBondContact O-N 3.47Å; F14-N17 VanDerWaalsContact O-N 3.17Å; F14-T18 HydrophobicContact CD1-CG2 3.75Å; F14-T18 HydrophobicContact CE1-CG2 3.45Å; F14-T18 VanDerWaalsContact CE1-CG2 3.45Å; F14-T18 HydrophobicContact CZ-CG2 4.03Å; F14-T18 WeakPolarHBondContact O-CB 3.33Å; F14-T18 WeakPolarHBondContact O-CG2 3.29Å; F14-T18 PolarHBondContact O-N 3.25Å; F14-T18 PolarHBondContact O-OG1 3.22Å
15	V	70	Confident	72.7	Confident	56 Å²	56	91 Å²	91	34%	0.339	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-37.5	175.9	166.6	0	0	0	0	111.2	I11 L12 T18 Y20	I11-V15 HydrophobicContact CG2-CG2 4.12Å; I11-V15 WeakPolarHBondContact O-CB 3.36Å; I11-V15 VanDerWaalsContact O-CG2 3.22Å; I11-V15 WeakPolarHBondContact O-CG2 3.47Å; I11-V15 PolarHBondContact O-N 2.94Å; L12-V15 PolarHBondContact O-N 3.43Å; V15-T18 VanDerWaalsContact CA-OG1 3.31Å; V15-T18 WeakPolarHBondContact CA-OG1 3.41Å; V15-T18 PolarHBondContact O-OG1 3.46Å; V15-Y20 HydrophobicContact CB-CE2 4.4Å; V15-Y20 HydrophobicContact CG1-CD2 4.33Å; V15-Y20 HydrophobicContact CG1-CE2 3.53Å; V15-Y20 WeakPolarHBondContact O-CD2 3.45Å; V15-Y20 WeakPolarHBondContact O-CE2 3.47Å
16	M	64.9	Low	73.3	Confident	77 Å²	77	87.3 Å²	87.3	38%	0.379	45%	0.445	S	S	.	.	H	α-helix	trans	-76.8	-28.7	175.8	-72.4	-169.2	-68.1	0	0	113.5	L12 V13 F14 P109	L12-M16 HydrophobicContact CD2-CE 4.02Å; L12-M16 HydrophobicContact CD2-SD 4.37Å; L12-M16 WeakPolarHBondContact O-CB 3.44Å; L12-M16 VanDerWaalsContact O-CG 3.27Å; L12-M16 WeakPolarHBondContact O-CG 3.3Å; L12-M16 PolarHBondContact O-N 2.74Å; V13-M16 PolarHBondContact O-N 2.97Å; F14-M16 VanDerWaalsContact C-N 3.3Å; F14-M16 PolarHBondContact O-N 3.09Å; M16-P109 HydrophobicContact CE-CB 3.87Å; M16-P109 HydrophobicContact SD-CB 3.77Å; M16-P109 HydrophobicContact SD-CG 3.93Å
17	N	57	Low	74	Confident	123 Å²	123	82.6 Å²	82.6	66%	0.658	42%	0.424	S	S	*	.	H	α-helix	trans	-88.8	-28.1	178.4	-81.8	-81	0	0	0	113.3	V13 F14 D19	V13-N17 WeakPolarHBondContact CG1-ND2 3.29Å; V13-N17 VanDerWaalsContact O-CB 3.28Å; V13-N17 WeakPolarHBondContact O-CB 3.46Å; V13-N17 PolarHBondContact O-N 3.28Å; V13-N17 PolarHBondContact O-ND2 2.87Å; F14-N17 CarbonylContact O-C 3.59Å; F14-N17 PolarHBondContact O-N 3.47Å; F14-N17 VanDerWaalsContact O-N 3.17Å; N17-D19 PolarHBondContact O-N 3.01Å
18	T	55.2	Low	74.6	Confident	55 Å²	55	79.9 Å²	79.9	34%	0.337	41%	0.409	S	S	.	.	S	Bend	trans	-60.3	105.3	158.5	50.1	0	0	0	0	103.4	F14 V15 Y20	F14-T18 HydrophobicContact CD1-CG2 3.75Å; F14-T18 HydrophobicContact CE1-CG2 3.45Å; F14-T18 VanDerWaalsContact CE1-CG2 3.45Å; F14-T18 HydrophobicContact CZ-CG2 4.03Å; F14-T18 WeakPolarHBondContact O-CB 3.33Å; F14-T18 WeakPolarHBondContact O-CG2 3.29Å; F14-T18 PolarHBondContact O-N 3.25Å; F14-T18 PolarHBondContact O-OG1 3.22Å; V15-T18 VanDerWaalsContact CA-OG1 3.31Å; V15-T18 WeakPolarHBondContact CA-OG1 3.41Å; V15-T18 PolarHBondContact O-OG1 3.46Å; T18-Y20 PolarHBondContact O-N 3.02Å
19	D	51.9	Low	75	Confident	110 Å²	110	75 Å²	75	59%	0.588	38%	0.384	S	S	*	.			trans	-49.1	93.3	172.1	-144.7	20.5	0	0	0	103.6	N17 T21 K50	N17-D19 PolarHBondContact O-N 3.01Å; D19-T21 HydrophobicContact CB-CG2 4.01Å; D19-T21 PolarHBondContact O-N 2.91Å; D19-K50 IonicContact OD2-NZ 3.73Å; D19-K50 PolarHBondContact OD2-NZ 3.45Å
20	Y	52.9	Low	75.5	Confident	141 Å²	141	76.8 Å²	76.8	55%	0.553	39%	0.394	S	S	*	.			trans	-66.4	80.7	166.4	-101.7	-101.1	0	0	0	100.8	V15 T18 F22	V15-Y20 HydrophobicContact CB-CE2 4.4Å; V15-Y20 HydrophobicContact CG1-CD2 4.33Å; V15-Y20 HydrophobicContact CG1-CE2 3.53Å; V15-Y20 WeakPolarHBondContact O-CD2 3.45Å; V15-Y20 WeakPolarHBondContact O-CE2 3.47Å; T18-Y20 PolarHBondContact O-N 3.02Å; Y20-F22 HydrophobicContact CD1-CE1 4.29Å; Y20-F22 HydrophobicContact CD1-CE2 4.1Å; Y20-F22 AromaticContact CD1-CZ 3.85Å; Y20-F22 HydrophobicContact CD1-CZ 3.85Å; Y20-F22 HydrophobicContact CG-CE2 4.26Å; Y20-F22 HydrophobicContact CG-CZ 4.44Å; Y20-F22 WeakPolarHBondContact O-CD2 3.23Å; Y20-F22 PolarHBondContact O-N 3.25Å
21	T	54.8	Low	75.9	Confident	82 Å²	82	76.6 Å²	76.6	50%	0.503	39%	0.389	S	S	.	.			trans	-68	78.8	168.8	45.3	0	0	0	0	102.3	D19 S23	D19-T21 HydrophobicContact CB-CG2 4.01Å; D19-T21 PolarHBondContact O-N 2.91Å; T21-S23 PolarHBondContact O-N 2.91Å
22	F	66.5	Low	76.3	Confident	142 Å²	142	72.2 Å²	72.2	62%	0.623	37%	0.367	S	S	*	.			trans	-55.5	96.7	167	-80.4	-75.4	0	0	0	104.1	Y20 V24	Y20-F22 HydrophobicContact CD1-CE1 4.29Å; Y20-F22 HydrophobicContact CD1-CE2 4.1Å; Y20-F22 AromaticContact CD1-CZ 3.85Å; Y20-F22 HydrophobicContact CD1-CZ 3.85Å; Y20-F22 HydrophobicContact CG-CE2 4.26Å; Y20-F22 HydrophobicContact CG-CZ 4.44Å; Y20-F22 WeakPolarHBondContact O-CD2 3.23Å; Y20-F22 PolarHBondContact O-N 3.25Å; F22-V24 PolarHBondContact O-N 3.33Å
23	S	83.9	Confident	76.9	Confident	78 Å²	78	73.2 Å²	73.2	55%	0.545	38%	0.376	S	S	.	.			trans	-72.4	115.9	179.4	65.2	0	0	0	0	105.3	T21 C49	T21-S23 PolarHBondContact O-N 2.91Å; S23-C49 CarbonylContact C-O 3.57Å; S23-C49 WeakPolarHBondContact CA-O 3.17Å
24	V	89.8	Confident	77.4	Confident	7 Å²	7	73.3 Å²	73.3	4%	0.042	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	157.5	178.2	-64	0	0	0	0	110.2	F22 G48 C49 N89 D91	F22-V24 PolarHBondContact O-N 3.33Å; V24-G48 PolarHBondContact O-N 3.47Å; V24-C49 HydrophobicContact CG2-CB 4.12Å; V24-C49 WeakPolarHBondContact CG2-O 3.39Å; V24-C49 PolarHBondContact N-O 2.87Å; V24-C49 VanDerWaalsContact O-CB 3.32Å; V24-C49 WeakPolarHBondContact O-CB 3.47Å; V24-C49 PolarHBondContact O-N 3.21Å; V24-N89 WeakPolarHBondContact CG1-O 3.32Å; V24-D91 WeakPolarHBondContact CA-OD1 2.98Å
25	R	93.1	Very high	78.2	Confident	115 Å²	115	71.7 Å²	71.7	43%	0.434	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.4	166.1	-66.2	175.9	-66.8	166.3	0.9	109	I45 R46 C52 D91 L92	R25-I45 HydrophobicContact CB-CG2 3.96Å; R25-I45 HydrophobicContact CG-CG2 4.45Å; R25-R46 CarbonylContact C-O 3.6Å; R25-R46 VanDerWaalsContact CA-O 3.25Å; R25-R46 WeakPolarHBondContact CA-O 3.44Å; R25-C52 PolarHBondContact O-SG 3.41Å; R25-C52 VanDerWaalsContact O-SG 3.4Å; R25-D91 IonicContact CZ-OD2 2.75Å; R25-D91 PolarHBondContact N-OD1 3.12Å; R25-D91 IonicContact NE-OD1 2.74Å; R25-D91 IonicContact NE-OD2 2.88Å; R25-D91 PolarHBondContact NE-OD2 2.87Å; R25-D91 IonicContact NH2-OD2 3.95Å; R25-D91 PolarHBondContact NH2-OD2 3.04Å; R25-L92 HydrophobicContact CB-CD2 3.82Å; R25-L92 HydrophobicContact CB-CG 4.2Å; R25-L92 WeakPolarHBondContact O-CA 3.48Å; R25-L92 PolarHBondContact O-N 2.83Å
26	C	94.3	Very high	78.8	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.1	177.9	-56.3	0	0	0	0	110.1	I45 R46 C49 C52 C67	C26-I45 WeakPolarHBondContact O-CA 3.32Å; C26-R46 PolarHBondContact N-O 2.63Å; C26-R46 PolarHBondContact O-N 3.26Å; C26-C49 HydrophobicContact CB-CB 4.39Å; C26-C49 WeakPolarHBondContact SG-CB 2.93Å; C26-C49 PolarHBondContact SG-SG 2.86Å; C26-C52 WeakPolarHBondContact CA-SG 3.19Å; C26-C52 HydrophobicContact CB-CB 3.62Å; C26-C52 WeakPolarHBondContact CB-SG 3.22Å; C26-C52 WeakPolarHBondContact SG-CA 3.49Å; C26-C52 WeakPolarHBondContact SG-CB 3.28Å; C26-C52 PolarHBondContact SG-N 2.7Å; C26-C52 CovalentContact SG-SG 2.02Å; C26-C52 PolarHBondContact SG-SG 3.21Å; C26-C67 HydrophobicContact CB-CB 4.47Å
27	Y	94.8	Very high	79.8	Confident	20 Å²	20	71 Å²	71	8%	0.078	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.8	163.3	-67.4	-71.4	0	0	0	109.5	F36 R38 V43 S44 I45 K65 L92 N94 V95	Y27-F36 HydrophobicContact CD1-CE2 4.09Å; Y27-F36 HydrophobicContact CD1-CZ 4.15Å; Y27-F36 HydrophobicContact CD2-CE2 4.46Å; Y27-F36 AromaticContact CD2-CZ 3.75Å; Y27-F36 HydrophobicContact CD2-CZ 3.75Å; Y27-F36 HydrophobicContact CE1-CE2 4.5Å; Y27-F36 HydrophobicContact CE2-CZ 4.28Å; Y27-F36 HydrophobicContact CG-CE2 4.07Å; Y27-F36 AromaticContact CG-CZ 3.67Å; Y27-F36 HydrophobicContact CG-CZ 3.67Å; Y27-R38 HydrophobicContact CE1-CB 4.37Å; Y27-R38 HydrophobicContact CE1-CG 4.44Å; Y27-R38 WeakPolarHBondContact OH-CD 3.24Å; Y27-V43 HydrophobicContact CD1-CG1 3.74Å; Y27-V43 HydrophobicContact CE1-CG1 4.49Å; Y27-V43 HydrophobicContact CG-CG1 4.49Å; Y27-S44 CarbonylContact C-O 3.47Å; Y27-S44 WeakPolarHBondContact CA-O 3.36Å; Y27-I45 HydrophobicContact CD1-CD1 4.48Å; Y27-I45 HydrophobicContact CD1-CG1 3.76Å; Y27-I45 HydrophobicContact CE1-CD1 3.9Å; Y27-I45 HydrophobicContact CE1-CG1 3.68Å; Y27-K65 CarbonylContact O-C 3.48Å; Y27-K65 VanDerWaalsContact O-CB 3.24Å; Y27-K65 WeakPolarHBondContact O-CB 3.31Å; Y27-L92 HydrophobicContact CD2-CB 4.28Å; Y27-L92 HydrophobicContact CD2-CD2 4.26Å; Y27-L92 HydrophobicContact CE1-CD2 4.29Å; Y27-L92 HydrophobicContact CE2-CB 3.68Å; Y27-L92 HydrophobicContact CE2-CD2 4.03Å; Y27-L92 HydrophobicContact CE2-CG 4.3Å; Y27-N94 PolarHBondContact N-OD1 2.86Å; Y27-N94 PolarHBondContact O-ND2 3.16Å; Y27-V95 HydrophobicContact CD2-CB 4.17Å; Y27-V95 HydrophobicContact CE2-CB 3.84Å; Y27-V95 HydrophobicContact CE2-CG2 4.06Å
28	E	95	Very high	81.2	Confident	33 Å²	33	72.8 Å²	72.8	15%	0.154	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134	168.3	-68.4	-164.2	140.1	0	0	110.1	V43 S44 R46 K65 C67	E28-V43 WeakPolarHBondContact O-CA 3.33Å; E28-S44 PolarHBondContact N-O 3.03Å; E28-S44 PolarHBondContact O-N 3.2Å; E28-R46 HydrophobicContact CG-CB 4.02Å; E28-R46 WeakPolarHBondContact OE1-CD 3.38Å; E28-R46 IonicContact OE1-NH1 3.66Å; E28-R46 PolarHBondContact OE1-NH1 3.42Å; E28-R46 VanDerWaalsContact OE1-NH1 3.09Å; E28-R46 WeakPolarHBondContact OE2-CD 3.27Å; E28-R46 IonicContact OE2-NH1 3.09Å; E28-K65 VanDerWaalsContact CA-O 3.29Å; E28-K65 WeakPolarHBondContact CA-O 3.41Å; E28-C67 HydrophobicContact CG-CB 4.24Å; E28-C67 WeakPolarHBondContact OE1-CB 3.43Å; E28-C67 PolarHBondContact OE1-N 3.43Å
29	C	93.1	Very high	82.7	Confident	8 Å²	8	75.5 Å²	75.5	5%	0.054	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	147.8	173.3	79.3	0	0	0	0	107.4	C32 V43 T64 K65	C29-C32 HydrophobicContact CB-CB 3.62Å; C29-C32 WeakPolarHBondContact CB-SG 3.42Å; C29-C32 WeakPolarHBondContact SG-CB 3.41Å; C29-C32 CovalentContact SG-SG 2.04Å; C29-C32 PolarHBondContact SG-SG 3.14Å; C29-V43 HydrophobicContact CB-CG2 4.12Å; C29-T64 CarbonylContact O-C 3.59Å; C29-T64 WeakPolarHBondContact O-CA 3.34Å; C29-T64 WeakPolarHBondContact O-CG2 3.28Å; C29-K65 PolarHBondContact N-O 2.83Å; C29-K65 VanDerWaalsContact N-O 3.1Å; C29-K65 PolarHBondContact O-N 2.99Å; C29-K65 VanDerWaalsContact SG-CG 3.52Å
30	D	90.7	Very high	84.5	Confident	100 Å²	100	72.1 Å²	72.1	54%	0.535	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.2	169.9	-70.7	-38.8	0	0	0	109.6	C32 T64 R66	D30-C32 PolarHBondContact O-N 3.42Å; D30-C32 VanDerWaalsContact O-N 3.13Å; D30-T64 WeakPolarHBondContact OD1-CG2 3.42Å; D30-R66 IonicContact OD1-CZ 3.01Å; D30-R66 VanDerWaalsContact OD1-CZ 3.28Å; D30-R66 IonicContact OD1-NE 3.81Å; D30-R66 PolarHBondContact OD1-NE 2.86Å; D30-R66 IonicContact OD1-NH2 3.28Å; D30-R66 PolarHBondContact OD1-NH2 2.87Å; D30-R66 IonicContact OD2-NH2 2.74Å
31	L	88.5	Confident	86.2	Confident	93 Å²	93	71.4 Å²	71.4	49%	0.487	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.8	42	178.6	-58.1	176	0	0	0	113.5	V57 F62 T63 T64	L31-V57 HydrophobicContact CD2-CB 4.5Å; L31-F62 WeakPolarHBondContact O-CD1 3.48Å; L31-T63 CarbonylContact C-O 3.56Å; L31-T63 PolarHBondContact N-O 3.23Å; L31-T64 PolarHBondContact N-OG1 2.77Å; L31-T64 VanDerWaalsContact N-OG1 3.12Å
32	C	89	Confident	87.9	Confident	3 Å²	3	71.8 Å²	71.8	2%	0.02	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	146.7	175.5	68.6	0	0	0	0	110.9	C29 D30 F36 T63	C29-C32 HydrophobicContact CB-CB 3.62Å; C29-C32 WeakPolarHBondContact CB-SG 3.42Å; C29-C32 WeakPolarHBondContact SG-CB 3.41Å; C29-C32 CovalentContact SG-SG 2.04Å; C29-C32 PolarHBondContact SG-SG 3.14Å; D30-C32 PolarHBondContact O-N 3.42Å; D30-C32 VanDerWaalsContact O-N 3.13Å; C32-F36 HydrophobicContact CB-CB 4.26Å; C32-F36 VanDerWaalsContact SG-CB 3.52Å; C32-T63 PolarHBondContact N-O 3.29Å; C32-T63 PolarHBondContact O-N 3.19Å
33	P	88	Confident	89.2	Confident	73 Å²	73	66 Å²	66	47%	0.474	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	147.5	-179.9	25.3	-34.4	0	0	0	110.4	P35 F36 Y61	P33-P35 CarbonylContact O-C 3.53Å; P33-F36 WeakPolarHBondContact O-CA 3.47Å; P33-F36 WeakPolarHBondContact O-CB 3.32Å; P33-F36 PolarHBondContact O-N 2.82Å; P33-Y61 CarbonylContact C-O 3.57Å; P33-Y61 WeakPolarHBondContact CA-O 3.12Å
34	F	83.2	Confident	89.7	Confident	77 Å²	77	65.1 Å²	65.1	34%	0.338	36%	0.362	S	S	.	.	S	Bend	trans	-110.3	128.6	176.3	-174.2	-99.1	0	0	0	110.9	Y61 T63 S97	F34-Y61 PolarHBondContact N-O 3.17Å; F34-T63 HydrophobicContact CB-CG2 4.09Å; F34-T63 HydrophobicContact CD2-CG2 4.06Å; F34-S97 WeakPolarHBondContact CZ-OG 3.43Å
35	P	85	Confident	90	Very high	112 Å²	112	69.3 Å²	69.3	73%	0.727	38%	0.383	S	S	*	.	S	Bend	cis	-67.6	140.7	-6.8	29.5	-34.5	0	0	0	111.7	P33	P33-P35 CarbonylContact O-C 3.53Å
36	F	83.1	Confident	90.1	Very high	18 Å²	18	69.9 Å²	69.9	8%	0.079	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-83.8	147.1	-178.5	74.1	-91.7	0	0	0	111.3	Y27 C32 P33 R38 V43 K65 V95	Y27-F36 HydrophobicContact CD1-CE2 4.09Å; Y27-F36 HydrophobicContact CD1-CZ 4.15Å; Y27-F36 HydrophobicContact CD2-CE2 4.46Å; Y27-F36 AromaticContact CD2-CZ 3.75Å; Y27-F36 HydrophobicContact CD2-CZ 3.75Å; Y27-F36 HydrophobicContact CE1-CE2 4.5Å; Y27-F36 HydrophobicContact CE2-CZ 4.28Å; Y27-F36 HydrophobicContact CG-CE2 4.07Å; Y27-F36 AromaticContact CG-CZ 3.67Å; Y27-F36 HydrophobicContact CG-CZ 3.67Å; C32-F36 HydrophobicContact CB-CB 4.26Å; C32-F36 VanDerWaalsContact SG-CB 3.52Å; P33-F36 WeakPolarHBondContact O-CA 3.47Å; P33-F36 WeakPolarHBondContact O-CB 3.32Å; P33-F36 PolarHBondContact O-N 2.82Å; F36-R38 HydrophobicContact CD2-CG 4.41Å; F36-R38 HydrophobicContact CE2-CB 4.33Å; F36-R38 HydrophobicContact CE2-CG 3.8Å; F36-R38 HydrophobicContact CZ-CG 4.39Å; F36-R38 PolarHBondContact O-N 3.39Å; F36-V43 HydrophobicContact CD2-CB 4.5Å; F36-V43 HydrophobicContact CD2-CG1 4.09Å; F36-V43 HydrophobicContact CD2-CG2 3.68Å; F36-V43 HydrophobicContact CE2-CG1 3.74Å; F36-V43 HydrophobicContact CE2-CG2 4.21Å; F36-V43 HydrophobicContact CG-CG2 4.49Å; F36-K65 HydrophobicContact CE1-CD 4.36Å; F36-K65 HydrophobicContact CE1-CG 4.29Å; F36-V95 WeakPolarHBondContact CE1-O 3.08Å; F36-V95 HydrophobicContact CZ-CG2 4.31Å
37	N	85.5	Confident	90	Very high	101 Å²	101	74.1 Å²	74.1	54%	0.54	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-80.7	117	171.3	-178.3	-4.2	0	0	0	109.6	S39 S40	N37-S39 PolarHBondContact O-N 3.33Å; N37-S39 PolarHBondContact OD1-N 2.85Å; N37-S40 WeakPolarHBondContact O-CB 3.32Å; N37-S40 PolarHBondContact O-N 2.68Å
38	R	86.1	Confident	89.7	Confident	160 Å²	160	75.9 Å²	75.9	60%	0.604	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.5	-179	-54.1	179.4	-142.3	164.8	3.6	113.4	Y27 F36 S40 V95	Y27-R38 HydrophobicContact CE1-CB 4.37Å; Y27-R38 HydrophobicContact CE1-CG 4.44Å; Y27-R38 WeakPolarHBondContact OH-CD 3.24Å; F36-R38 HydrophobicContact CD2-CG 4.41Å; F36-R38 HydrophobicContact CE2-CB 4.33Å; F36-R38 HydrophobicContact CE2-CG 3.8Å; F36-R38 HydrophobicContact CZ-CG 4.39Å; F36-R38 PolarHBondContact O-N 3.39Å; R38-S40 VanDerWaalsContact C-N 3.33Å; R38-V95 HydrophobicContact CG-CG2 4.39Å
39	S	88.2	Confident	89.5	Confident	112 Å²	112	74.4 Å²	74.4	78%	0.783	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	3.6	176.5	-56.9	0	0	0	0	112.6	N37	N37-S39 PolarHBondContact O-N 3.33Å; N37-S39 PolarHBondContact OD1-N 2.85Å
40	S	88.5	Confident	89.4	Confident	40 Å²	40	77.3 Å²	77.3	28%	0.28	44%	0.444	S	S	.	.	S	Bend	trans	-66.7	140.5	176	-170	0	0	0	0	110.6	N37 R38 V42 V43	N37-S40 WeakPolarHBondContact O-CB 3.32Å; N37-S40 PolarHBondContact O-N 2.68Å; R38-S40 VanDerWaalsContact C-N 3.33Å; S40-V42 PolarHBondContact O-N 3.28Å; S40-V42 WeakPolarHBondContact OG-CG2 3.25Å; S40-V43 PolarHBondContact O-N 2.77Å
41	S	89.8	Confident	89.4	Confident	125 Å²	125	75 Å²	75	87%	0.874	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.9	178	53.2	0	0	0	0	113.7	V43	S41-V43 VanDerWaalsContact C-N 3.3Å
42	V	90.1	Very high	89.5	Confident	91 Å²	91	70.6 Å²	70.6	55%	0.552	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-3	176	-59.8	0	0	0	0	113.6	S40	S40-V42 PolarHBondContact O-N 3.28Å; S40-V42 WeakPolarHBondContact OG-CG2 3.25Å
43	V	93.4	Very high	89.7	Confident	19 Å²	19	70.4 Å²	70.4	12%	0.115	40%	0.403	C	S	.	.			trans	-108	123.7	179.5	177.7	0	0	0	0	108.6	Y27 E28 C29 F36 S40 S41	Y27-V43 HydrophobicContact CD1-CG1 3.74Å; Y27-V43 HydrophobicContact CE1-CG1 4.49Å; Y27-V43 HydrophobicContact CG-CG1 4.49Å; E28-V43 WeakPolarHBondContact O-CA 3.33Å; C29-V43 HydrophobicContact CB-CG2 4.12Å; F36-V43 HydrophobicContact CD2-CB 4.5Å; F36-V43 HydrophobicContact CD2-CG1 4.09Å; F36-V43 HydrophobicContact CD2-CG2 3.68Å; F36-V43 HydrophobicContact CE2-CG1 3.74Å; F36-V43 HydrophobicContact CE2-CG2 4.21Å; F36-V43 HydrophobicContact CG-CG2 4.49Å; S40-V43 PolarHBondContact O-N 2.77Å; S41-V43 VanDerWaalsContact C-N 3.3Å
44	S	95.5	Very high	89.8	Confident	61 Å²	61	67.1 Å²	67.1	43%	0.427	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	163.5	173.2	65.7	0	0	0	0	110.6	Y27 E28	Y27-S44 CarbonylContact C-O 3.47Å; Y27-S44 WeakPolarHBondContact CA-O 3.36Å; E28-S44 PolarHBondContact N-O 3.03Å; E28-S44 PolarHBondContact O-N 3.2Å
45	I	95.3	Very high	90.1	Very high	94 Å²	94	63.4 Å²	63.4	48%	0.482	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.6	170.2	-68.9	163.5	0	0	0	107.4	R25 C26 Y27 L92	R25-I45 HydrophobicContact CB-CG2 3.96Å; R25-I45 HydrophobicContact CG-CG2 4.45Å; C26-I45 WeakPolarHBondContact O-CA 3.32Å; Y27-I45 HydrophobicContact CD1-CD1 4.48Å; Y27-I45 HydrophobicContact CD1-CG1 3.76Å; Y27-I45 HydrophobicContact CE1-CD1 3.9Å; Y27-I45 HydrophobicContact CE1-CG1 3.68Å; I45-L92 HydrophobicContact CD1-CD2 4.23Å; I45-L92 HydrophobicContact CG1-CD2 3.99Å; I45-L92 HydrophobicContact CG2-CD2 3.79Å
46	R	94.6	Very high	90.1	Very high	127 Å²	127	60.1 Å²	60.1	48%	0.479	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.4	174.4	-173.5	164.7	175.1	-169.5	5.1	110.3	R25 C26 E28 C49 C67	R25-R46 CarbonylContact C-O 3.6Å; R25-R46 VanDerWaalsContact CA-O 3.25Å; R25-R46 WeakPolarHBondContact CA-O 3.44Å; C26-R46 PolarHBondContact N-O 2.63Å; C26-R46 PolarHBondContact O-N 3.26Å; E28-R46 HydrophobicContact CG-CB 4.02Å; E28-R46 WeakPolarHBondContact OE1-CD 3.38Å; E28-R46 IonicContact OE1-NH1 3.66Å; E28-R46 PolarHBondContact OE1-NH1 3.42Å; E28-R46 VanDerWaalsContact OE1-NH1 3.09Å; E28-R46 WeakPolarHBondContact OE2-CD 3.27Å; E28-R46 IonicContact OE2-NH1 3.09Å; R46-C49 PolarHBondContact O-SG 3.35Å; R46-C49 VanDerWaalsContact O-SG 3.37Å; R46-C67 HydrophobicContact CB-CB 4.17Å; R46-C67 HydrophobicContact CG-CB 4.04Å
47	S	91.9	Very high	89.9	Confident	90 Å²	90	60.9 Å²	60.9	63%	0.629	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	164.4	171.6	53.5	0	0	0	0	111.2
48	G	90.4	Very high	89.4	Confident	56 Å²	56	59.4 Å²	59.4	58%	0.577	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	90.1	11.6	176.3	0	0	0	0	0	114.2	V24	V24-G48 PolarHBondContact O-N 3.47Å
49	C	90.5	Very high	88.8	Confident	3 Å²	3	54 Å²	54	2%	0.02	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	142.2	-173.7	-50.2	0	0	0	0	111	S23 V24 C26 R46 C67	S23-C49 CarbonylContact C-O 3.57Å; S23-C49 WeakPolarHBondContact CA-O 3.17Å; V24-C49 HydrophobicContact CG2-CB 4.12Å; V24-C49 WeakPolarHBondContact CG2-O 3.39Å; V24-C49 PolarHBondContact N-O 2.87Å; V24-C49 VanDerWaalsContact O-CB 3.32Å; V24-C49 WeakPolarHBondContact O-CB 3.47Å; V24-C49 PolarHBondContact O-N 3.21Å; C26-C49 HydrophobicContact CB-CB 4.39Å; C26-C49 WeakPolarHBondContact SG-CB 2.93Å; C26-C49 PolarHBondContact SG-SG 2.86Å; R46-C49 PolarHBondContact O-SG 3.35Å; R46-C49 VanDerWaalsContact O-SG 3.37Å; C49-C67 WeakPolarHBondContact CA-SG 3.4Å; C49-C67 HydrophobicContact CB-CB 4.02Å; C49-C67 WeakPolarHBondContact CB-SG 3.02Å; C49-C67 WeakPolarHBondContact SG-CB 2.97Å; C49-C67 CovalentContact SG-SG 2.01Å; C49-C67 PolarHBondContact SG-SG 3.02Å
50	K	89.6	Confident	88.1	Confident	68 Å²	68	52.9 Å²	52.9	30%	0.296	34%	0.337	S	S	.	.	S	Bend	trans	-83.5	-36.2	168.3	-164.8	169.4	-171.3	165.1	0	110.5	D19 A68 G69	D19-K50 IonicContact OD2-NZ 3.73Å; D19-K50 PolarHBondContact OD2-NZ 3.45Å; K50-A68 PolarHBondContact N-O 2.75Å; K50-G69 WeakPolarHBondContact CD-O 3.2Å
51	W	90.7	Very high	87.8	Confident	52 Å²	52	58.7 Å²	58.7	20%	0.197	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.6	178.3	-62.9	91.2	0	0	0	111	A68 C71 C87 N89 T102	W51-A68 PolarHBondContact N-O 3.06Å; W51-A68 PolarHBondContact O-N 3Å; W51-C71 HydrophobicContact CD2-CB 3.99Å; W51-C71 HydrophobicContact CE3-CB 4.23Å; W51-C71 HydrophobicContact CG-CB 4.14Å; W51-C87 HydrophobicContact CE3-CB 3.96Å; W51-N89 HydrophobicContact CD2-CB 4.34Å; W51-N89 HydrophobicContact CE3-CB 3.83Å; W51-N89 HydrophobicContact CH2-CB 4.29Å; W51-N89 HydrophobicContact CZ3-CB 3.82Å; W51-T102 HydrophobicContact CH2-CG2 4.23Å
52	C	91.8	Very high	87.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128	165.6	-52.9	0	0	0	0	109	R25 C26 C87 C88 N94	R25-C52 PolarHBondContact O-SG 3.41Å; R25-C52 VanDerWaalsContact O-SG 3.4Å; C26-C52 WeakPolarHBondContact CA-SG 3.19Å; C26-C52 HydrophobicContact CB-CB 3.62Å; C26-C52 WeakPolarHBondContact CB-SG 3.22Å; C26-C52 WeakPolarHBondContact SG-CA 3.49Å; C26-C52 WeakPolarHBondContact SG-CB 3.28Å; C26-C52 PolarHBondContact SG-N 2.7Å; C26-C52 CovalentContact SG-SG 2.02Å; C26-C52 PolarHBondContact SG-SG 3.21Å; C52-C87 CarbonylContact O-C 3.18Å; C52-C87 VanDerWaalsContact O-CA 3.28Å; C52-C87 WeakPolarHBondContact O-CA 3.39Å; C52-C88 PolarHBondContact N-O 2.81Å; C52-C88 PolarHBondContact O-N 2.01Å; C52-N94 HydrophobicContact CB-CB 3.66Å
53	V	91.7	Very high	87.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.8	-175.1	-174.9	0	0	0	0	109.9	L55 K65 R66 A68 F76 T86 N94	V53-L55 HydrophobicContact CG1-CD2 4.35Å; V53-L55 HydrophobicContact CG1-CG 4.07Å; V53-K65 WeakPolarHBondContact O-CA 3.03Å; V53-R66 HydrophobicContact CB-CB 4.41Å; V53-R66 PolarHBondContact N-O 2.71Å; V53-R66 PolarHBondContact O-N 2.65Å; V53-A68 HydrophobicContact CG2-CB 3.58Å; V53-F76 HydrophobicContact CB-CZ 4.19Å; V53-F76 HydrophobicContact CG1-CE1 4.26Å; V53-F76 HydrophobicContact CG1-CE2 3.97Å; V53-F76 HydrophobicContact CG1-CZ 3.76Å; V53-F76 HydrophobicContact CG2-CE2 4.45Å; V53-F76 HydrophobicContact CG2-CZ 3.83Å; V53-T86 CarbonylContact C-O 3.53Å; V53-T86 WeakPolarHBondContact CA-O 3.4Å; V53-N94 PolarHBondContact O-ND2 3.2Å; V53-N94 VanDerWaalsContact O-ND2 3.12Å
54	S	91	Very high	87.5	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.1	170.5	177.8	0	0	0	0	109	T63 K65 Y85 T86	S54-T63 PolarHBondContact OG-OG1 3.02Å; S54-K65 PolarHBondContact OG-NZ 3.4Å; S54-Y85 WeakPolarHBondContact O-CA 2.82Å; S54-T86 PolarHBondContact N-O 2.86Å; S54-T86 PolarHBondContact O-N 2.88Å; S54-T86 PolarHBondContact O-OG1 3.37Å
55	L	89.3	Confident	87.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.2	178.2	-64.1	158	0	0	0	109.1	V53 V57 T63 T64 F76 Y80 Y83 N84 Y85	V53-L55 HydrophobicContact CG1-CD2 4.35Å; V53-L55 HydrophobicContact CG1-CG 4.07Å; L55-V57 HydrophobicContact CB-CG2 4.3Å; L55-T63 CarbonylContact O-C 3.51Å; L55-T63 WeakPolarHBondContact O-CA 3.26Å; L55-T63 WeakPolarHBondContact O-CB 2.95Å; L55-T63 PolarHBondContact O-OG1 3.19Å; L55-T64 HydrophobicContact CD1-CG2 3.95Å; L55-T64 PolarHBondContact N-O 3.47Å; L55-T64 PolarHBondContact O-N 2.7Å; L55-F76 HydrophobicContact CD1-CD1 3.84Å; L55-F76 HydrophobicContact CD1-CE1 4.4Å; L55-F76 HydrophobicContact CD1-CG 4.23Å; L55-F76 HydrophobicContact CD2-CB 3.98Å; L55-F76 HydrophobicContact CD2-CD1 4.22Å; L55-F76 HydrophobicContact CD2-CD2 4.06Å; L55-F76 HydrophobicContact CD2-CG 3.78Å; L55-Y80 HydrophobicContact CD1-CD2 4.24Å; L55-Y80 HydrophobicContact CD1-CE2 3.88Å; L55-Y83 HydrophobicContact CD2-CD2 3.47Å; L55-Y83 VanDerWaalsContact CD2-CD2 3.47Å; L55-Y83 HydrophobicContact CD2-CE2 3.88Å; L55-Y83 HydrophobicContact CD2-CG 4.33Å; L55-N84 CarbonylContact C-O 3.54Å; L55-N84 WeakPolarHBondContact CA-O 3.44Å; L55-Y85 VanDerWaalsContact CD2-CB 3.49Å
56	S	86.2	Confident	87.2	Confident	42 Å²	42	47.7 Å²	47.7	29%	0.294	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113.6	166.4	-66.6	0	0	0	0	107.4	Y83 N84	S56-Y83 VanDerWaalsContact O-CA 3.26Å; S56-Y83 WeakPolarHBondContact O-CA 3.39Å; S56-Y83 WeakPolarHBondContact O-CB 3.41Å; S56-N84 PolarHBondContact N-O 2.01Å; S56-N84 PolarHBondContact O-N 2.94Å
57	V	78.4	Confident	87.1	Confident	35 Å²	35	42.7 Å²	42.7	21%	0.212	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.1	-172.7	-177.7	0	0	0	0	108.5	L31 L55 S59 Y80	L31-V57 HydrophobicContact CD2-CB 4.5Å; L55-V57 HydrophobicContact CB-CG2 4.3Å; V57-S59 PolarHBondContact O-N 3.22Å; V57-Y80 HydrophobicContact CB-CD1 4.14Å; V57-Y80 HydrophobicContact CB-CE1 4.39Å; V57-Y80 HydrophobicContact CG1-CD1 3.47Å; V57-Y80 VanDerWaalsContact CG1-CD1 3.47Å; V57-Y80 HydrophobicContact CG1-CE1 4Å; V57-Y80 HydrophobicContact CG1-CG 4.2Å; V57-Y80 HydrophobicContact CG2-CD1 3.54Å; V57-Y80 HydrophobicContact CG2-CD2 4.18Å; V57-Y80 HydrophobicContact CG2-CE1 3.72Å; V57-Y80 HydrophobicContact CG2-CE2 4.33Å; V57-Y80 HydrophobicContact CG2-CG 3.77Å
58	G	75.1	Confident	87	Confident	69 Å²	69	38.6 Å²	38.6	71%	0.711	22%	0.224	S	C	*	.	S	Bend	trans	66.6	-88.9	-178	0	0	0	0	0	113.4
59	S	73.6	Confident	86.8	Confident	46 Å²	46	37.6 Å²	37.6	32%	0.322	21%	0.214	S	C	.	.	S	Bend	trans	-80.8	138.5	-174.8	-177	0	0	0	0	111.6	V57 Y61 F62	V57-S59 PolarHBondContact O-N 3.22Å; S59-Y61 PolarHBondContact O-N 3.36Å; S59-Y61 WeakPolarHBondContact OG-CD2 2.93Å; S59-F62 PolarHBondContact O-N 3.23Å
60	P	72.1	Confident	86.6	Confident	90 Å²	90	45.3 Å²	45.3	58%	0.584	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.8	178.5	28.3	-36.3	0	0	0	113.5
61	Y	82	Confident	86.4	Confident	162 Å²	162	44.2 Å²	44.2	64%	0.635	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.6	-176.9	-55	-61.8	0	0	0	114.3	P33 F34 S59	P33-Y61 CarbonylContact C-O 3.57Å; P33-Y61 WeakPolarHBondContact CA-O 3.12Å; F34-Y61 PolarHBondContact N-O 3.17Å; S59-Y61 PolarHBondContact O-N 3.36Å; S59-Y61 WeakPolarHBondContact OG-CD2 2.93Å
62	F	87	Confident	86.1	Confident	98 Å²	98	46.8 Å²	46.8	43%	0.43	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135	178.4	-67	-71.7	0	0	0	110.5	L31 S59	L31-F62 WeakPolarHBondContact O-CD1 3.48Å; S59-F62 PolarHBondContact O-N 3.23Å
63	T	89.1	Confident	85.4	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.6	178.4	-174.4	0	0	0	0	110.5	L31 C32 F34 S54 L55 K65	L31-T63 CarbonylContact C-O 3.56Å; L31-T63 PolarHBondContact N-O 3.23Å; C32-T63 PolarHBondContact N-O 3.29Å; C32-T63 PolarHBondContact O-N 3.19Å; F34-T63 HydrophobicContact CB-CG2 4.09Å; F34-T63 HydrophobicContact CD2-CG2 4.06Å; S54-T63 PolarHBondContact OG-OG1 3.02Å; L55-T63 CarbonylContact O-C 3.51Å; L55-T63 WeakPolarHBondContact O-CA 3.26Å; L55-T63 WeakPolarHBondContact O-CB 2.95Å; L55-T63 PolarHBondContact O-OG1 3.19Å; T63-K65 VanDerWaalsContact CG2-CE 3.46Å; T63-K65 WeakPolarHBondContact OG1-CE 3.04Å
64	T	91.3	Very high	84.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.2	169.3	-67.4	0	0	0	0	107.9	C29 D30 L31 L55 R66 Y80	C29-T64 CarbonylContact O-C 3.59Å; C29-T64 WeakPolarHBondContact O-CA 3.34Å; C29-T64 WeakPolarHBondContact O-CG2 3.28Å; D30-T64 WeakPolarHBondContact OD1-CG2 3.42Å; L31-T64 PolarHBondContact N-OG1 2.77Å; L31-T64 VanDerWaalsContact N-OG1 3.12Å; L55-T64 HydrophobicContact CD1-CG2 3.95Å; L55-T64 PolarHBondContact N-O 3.47Å; L55-T64 PolarHBondContact O-N 2.7Å; T64-R66 HydrophobicContact CG2-CG 3.97Å; T64-Y80 PolarHBondContact OG1-OH 3.31Å
65	K	92.4	Very high	84	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133	178.7	-55.6	-66.6	178.4	169.6	0	108.1	Y27 E28 C29 F36 V53 S54 T63 N94	Y27-K65 CarbonylContact O-C 3.48Å; Y27-K65 VanDerWaalsContact O-CB 3.24Å; Y27-K65 WeakPolarHBondContact O-CB 3.31Å; E28-K65 VanDerWaalsContact CA-O 3.29Å; E28-K65 WeakPolarHBondContact CA-O 3.41Å; C29-K65 PolarHBondContact N-O 2.83Å; C29-K65 VanDerWaalsContact N-O 3.1Å; C29-K65 PolarHBondContact O-N 2.99Å; C29-K65 VanDerWaalsContact SG-CG 3.52Å; F36-K65 HydrophobicContact CE1-CD 4.36Å; F36-K65 HydrophobicContact CE1-CG 4.29Å; V53-K65 WeakPolarHBondContact O-CA 3.03Å; S54-K65 PolarHBondContact OG-NZ 3.4Å; T63-K65 VanDerWaalsContact CG2-CE 3.46Å; T63-K65 WeakPolarHBondContact OG1-CE 3.04Å; K65-N94 HydrophobicContact CD-CB 4.41Å; K65-N94 WeakPolarHBondContact CD-O 3.38Å; K65-N94 WeakPolarHBondContact CE-O 3.18Å; K65-N94 PolarHBondContact NZ-O 2.8Å
66	R	92.6	Very high	83.4	Confident	60 Å²	60	60.5 Å²	60.5	23%	0.226	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.2	-177	-67.5	-64.9	-176.7	94.1	2.8	112.5	D30 V53 T64 E79	D30-R66 IonicContact OD1-CZ 3.01Å; D30-R66 VanDerWaalsContact OD1-CZ 3.28Å; D30-R66 IonicContact OD1-NE 3.81Å; D30-R66 PolarHBondContact OD1-NE 2.86Å; D30-R66 IonicContact OD1-NH2 3.28Å; D30-R66 PolarHBondContact OD1-NH2 2.87Å; D30-R66 IonicContact OD2-NH2 2.74Å; V53-R66 HydrophobicContact CB-CB 4.41Å; V53-R66 PolarHBondContact N-O 2.71Å; V53-R66 PolarHBondContact O-N 2.65Å; T64-R66 HydrophobicContact CG2-CG 3.97Å; R66-E79 IonicContact CZ-OE2 3.32Å; R66-E79 IonicContact NH1-OE1 3.98Å; R66-E79 IonicContact NH1-OE2 3.59Å; R66-E79 IonicContact NH2-OE2 3.35Å; R66-E79 PolarHBondContact NH2-OE2 3.49Å
67	C	93	Very high	82.6	Confident	22 Å²	22	64.1 Å²	64.1	15%	0.149	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.5	159.2	-178	0	0	0	0	108.7	C26 E28 R46 C49	C26-C67 HydrophobicContact CB-CB 4.47Å; E28-C67 HydrophobicContact CG-CB 4.24Å; E28-C67 WeakPolarHBondContact OE1-CB 3.43Å; E28-C67 PolarHBondContact OE1-N 3.43Å; R46-C67 HydrophobicContact CB-CB 4.17Å; R46-C67 HydrophobicContact CG-CB 4.04Å; C49-C67 WeakPolarHBondContact CA-SG 3.4Å; C49-C67 HydrophobicContact CB-CB 4.02Å; C49-C67 WeakPolarHBondContact CB-SG 3.02Å; C49-C67 WeakPolarHBondContact SG-CB 2.97Å; C49-C67 CovalentContact SG-SG 2.01Å; C49-C67 PolarHBondContact SG-SG 3.02Å
68	A	89.7	Confident	82.5	Confident	4 Å²	4	72 Å²	72	3%	0.033	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.2	-178.7	0	0	0	0	0	112	K50 W51 V53 W70 F76	K50-A68 PolarHBondContact N-O 2.75Å; W51-A68 PolarHBondContact N-O 3.06Å; W51-A68 PolarHBondContact O-N 3Å; V53-A68 HydrophobicContact CG2-CB 3.58Å; A68-W70 VanDerWaalsContact CB-O 3.24Å; A68-W70 WeakPolarHBondContact CB-O 3.34Å; A68-F76 HydrophobicContact CB-CZ 4.26Å
69	G	86.6	Confident	82.6	Confident	35 Å²	35	74.1 Å²	74.1	36%	0.361	36%	0.356	S	S	.	.	S	Bend	trans	-76.5	-29.3	171.4	0	0	0	0	0	111.9	K50	K50-G69 WeakPolarHBondContact CD-O 3.2Å
70	W	84.6	Confident	82.8	Confident	165 Å²	165	73.6 Å²	73.6	63%	0.625	35%	0.347	S	S	*	.			trans	-136.6	164.8	-175.1	-47.2	92.7	0	0	0	109.8	A68	A68-W70 VanDerWaalsContact CB-O 3.24Å; A68-W70 WeakPolarHBondContact CB-O 3.34Å
71	C	85.7	Confident	82.9	Confident	45 Å²	45	75 Å²	75	30%	0.304	36%	0.359	S	S	.	.			trans	-118.4	75.1	172.7	177	0	0	0	0	108.7	W51 C87	W51-C71 HydrophobicContact CD2-CB 3.99Å; W51-C71 HydrophobicContact CE3-CB 4.23Å; W51-C71 HydrophobicContact CG-CB 4.14Å; C71-C87 HydrophobicContact CB-CB 3.57Å; C71-C87 WeakPolarHBondContact CB-SG 3.42Å; C71-C87 WeakPolarHBondContact SG-CB 3.24Å; C71-C87 CovalentContact SG-SG 2.01Å; C71-C87 PolarHBondContact SG-SG 3.5Å
72	E	84.9	Confident	82.9	Confident	105 Å²	105	73.2 Å²	73.2	49%	0.491	36%	0.361	S	S	.	.			trans	-133.5	141.5	178.3	-65.2	-173	-170.7	0	0	110.4	K74 E75	E72-K74 PolarHBondContact O-N 2.79Å; E72-E75 WeakPolarHBondContact O-CB 3.38Å; E72-E75 PolarHBondContact O-N 2.81Å; E72-E75 VanDerWaalsContact O-N 3.16Å
73	S	77.1	Confident	82.7	Confident	38 Å²	38	69.5 Å²	69.5	27%	0.266	34%	0.344	S	S	.	.	H	α-helix	trans	-57.1	-35.1	178.4	56.7	0	0	0	0	112.7	E75 F76 F77 Y83 Y85	S73-E75 PolarHBondContact O-N 3.37Å; S73-F76 PolarHBondContact O-N 3.03Å; S73-F77 VanDerWaalsContact C-CD2 3.44Å; S73-F77 VanDerWaalsContact CB-CE2 3.47Å; S73-F77 WeakPolarHBondContact O-CD2 3.35Å; S73-F77 PolarHBondContact O-N 3.35Å; S73-F77 VanDerWaalsContact O-N 3.15Å; S73-F77 WeakPolarHBondContact OG-CE2 3.44Å; S73-Y83 WeakPolarHBondContact CA-OH 3.41Å; S73-Y83 PolarHBondContact O-OH 3.32Å; S73-Y85 PolarHBondContact N-OH 2.98Å; S73-Y85 VanDerWaalsContact N-OH 3.14Å
74	K	79.6	Confident	82.6	Confident	162 Å²	162	75.6 Å²	75.6	70%	0.704	38%	0.377	S	S	*	.	H	α-helix	trans	-55	-27.5	179.7	-67.8	180	-177.4	173	0	113.8	E72	E72-K74 PolarHBondContact O-N 2.79Å
75	E	74.3	Confident	82.4	Confident	83 Å²	83	79.4 Å²	79.4	39%	0.388	39%	0.391	S	S	.	.	H	α-helix	trans	-67.9	-35.2	178.8	-165.5	168.2	174.1	0	0	112	E72 S73	E72-E75 WeakPolarHBondContact O-CB 3.38Å; E72-E75 PolarHBondContact O-N 2.81Å; E72-E75 VanDerWaalsContact O-N 3.16Å; S73-E75 PolarHBondContact O-N 3.37Å
76	F	75.2	Confident	82.2	Confident	9 Å²	9	81.5 Å²	81.5	4%	0.039	41%	0.405	C	S	.	.	H	α-helix	trans	-102.4	-15.3	-172.8	-47.3	-67.4	0	0	0	113.9	V53 L55 A68 S73 K78 E79 Y80 Y83 Y85	V53-F76 HydrophobicContact CB-CZ 4.19Å; V53-F76 HydrophobicContact CG1-CE1 4.26Å; V53-F76 HydrophobicContact CG1-CE2 3.97Å; V53-F76 HydrophobicContact CG1-CZ 3.76Å; V53-F76 HydrophobicContact CG2-CE2 4.45Å; V53-F76 HydrophobicContact CG2-CZ 3.83Å; L55-F76 HydrophobicContact CD1-CD1 3.84Å; L55-F76 HydrophobicContact CD1-CE1 4.4Å; L55-F76 HydrophobicContact CD1-CG 4.23Å; L55-F76 HydrophobicContact CD2-CB 3.98Å; L55-F76 HydrophobicContact CD2-CD1 4.22Å; L55-F76 HydrophobicContact CD2-CD2 4.06Å; L55-F76 HydrophobicContact CD2-CG 3.78Å; A68-F76 HydrophobicContact CB-CZ 4.26Å; S73-F76 PolarHBondContact O-N 3.03Å; F76-K78 PolarHBondContact O-N 2.79Å; F76-K78 VanDerWaalsContact O-N 3.12Å; F76-E79 PolarHBondContact O-N 2.02Å; F76-E79 VanDerWaalsContact O-N 3.1Å; F76-Y80 PolarHBondContact O-N 2.98Å; F76-Y80 VanDerWaalsContact O-N 3.08Å; F76-Y83 HydrophobicContact CB-CD2 4.46Å; F76-Y83 HydrophobicContact CB-CE1 4.38Å; F76-Y83 HydrophobicContact CB-CE2 3.75Å; F76-Y83 HydrophobicContact CD2-CE2 4.36Å; F76-Y83 HydrophobicContact CG-CE2 4.46Å; F76-Y85 HydrophobicContact CD2-CD2 4.45Å; F76-Y85 HydrophobicContact CE2-CD2 4.29Å
77	F	70.1	Confident	82.1	Confident	118 Å²	118	79.4 Å²	79.4	52%	0.518	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.2	-179.9	-94.2	-64.4	0	0	0	114.8	S73 Y83	S73-F77 VanDerWaalsContact C-CD2 3.44Å; S73-F77 VanDerWaalsContact CB-CE2 3.47Å; S73-F77 WeakPolarHBondContact O-CD2 3.35Å; S73-F77 PolarHBondContact O-N 3.35Å; S73-F77 VanDerWaalsContact O-N 3.15Å; S73-F77 WeakPolarHBondContact OG-CE2 3.44Å; F77-Y83 AromaticContact CD1-CE1 3.95Å; F77-Y83 HydrophobicContact CD1-CE1 3.95Å; F77-Y83 WeakPolarHBondContact CD2-OH 3.5Å; F77-Y83 HydrophobicContact CE1-CE1 4.21Å; F77-Y83 HydrophobicContact CG-CE1 4.22Å; F77-Y83 PolarHBondContact N-OH 2.01Å
78	K	76.9	Confident	81.9	Confident	200 Å²	200	78.7 Å²	78.7	87%	0.87	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-30.6	178.4	-70	-175.9	179.5	178.8	0	112.9	F76	F76-K78 PolarHBondContact O-N 2.79Å; F76-K78 VanDerWaalsContact O-N 3.12Å
79	E	76.5	Confident	81.8	Confident	114 Å²	114	81.5 Å²	81.5	53%	0.533	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-31.6	-177	-71.3	-179.2	-173.4	0	0	111.9	R66 F76	R66-E79 IonicContact CZ-OE2 3.32Å; R66-E79 IonicContact NH1-OE1 3.98Å; R66-E79 IonicContact NH1-OE2 3.59Å; R66-E79 IonicContact NH2-OE2 3.35Å; R66-E79 PolarHBondContact NH2-OE2 3.49Å; F76-E79 PolarHBondContact O-N 2.02Å; F76-E79 VanDerWaalsContact O-N 3.1Å
80	Y	77.6	Confident	81.9	Confident	34 Å²	34	83.7 Å²	83.7	13%	0.133	42%	0.415	C	S	.	.			trans	-131.7	126.2	-173.5	-54.6	-67.9	0	0	0	111.3	L55 V57 T64 F76 Y83	L55-Y80 HydrophobicContact CD1-CD2 4.24Å; L55-Y80 HydrophobicContact CD1-CE2 3.88Å; V57-Y80 HydrophobicContact CB-CD1 4.14Å; V57-Y80 HydrophobicContact CB-CE1 4.39Å; V57-Y80 HydrophobicContact CG1-CD1 3.47Å; V57-Y80 VanDerWaalsContact CG1-CD1 3.47Å; V57-Y80 HydrophobicContact CG1-CE1 4Å; V57-Y80 HydrophobicContact CG1-CG 4.2Å; V57-Y80 HydrophobicContact CG2-CD1 3.54Å; V57-Y80 HydrophobicContact CG2-CD2 4.18Å; V57-Y80 HydrophobicContact CG2-CE1 3.72Å; V57-Y80 HydrophobicContact CG2-CE2 4.33Å; V57-Y80 HydrophobicContact CG2-CG 3.77Å; T64-Y80 PolarHBondContact OG1-OH 3.31Å; F76-Y80 PolarHBondContact O-N 2.98Å; F76-Y80 VanDerWaalsContact O-N 3.08Å; Y80-Y83 VanDerWaalsContact CB-CD1 3.49Å; Y80-Y83 WeakPolarHBondContact O-CD1 3.24Å; Y80-Y83 WeakPolarHBondContact O-CE1 3.1Å
81	S	75.6	Confident	82.1	Confident	119 Å²	119	79.5 Å²	79.5	83%	0.832	41%	0.405	S	S	*	.	S	Bend	trans	-83.6	-31.5	-179.6	55.6	0	0	0	0	113.5
82	N	80.7	Confident	82.3	Confident	125 Å²	125	79.1 Å²	79.1	67%	0.668	40%	0.399	S	S	*	.	S	Bend	trans	-137.5	103.7	178.5	-170.7	6.5	0	0	0	110.1
83	Y	83.3	Confident	82.6	Confident	21 Å²	21	75 Å²	75	8%	0.082	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	152.3	-177	66.1	-81.5	0	0	0	111	L55 S56 S73 F76 F77 Y80 Y85	L55-Y83 HydrophobicContact CD2-CD2 3.47Å; L55-Y83 VanDerWaalsContact CD2-CD2 3.47Å; L55-Y83 HydrophobicContact CD2-CE2 3.88Å; L55-Y83 HydrophobicContact CD2-CG 4.33Å; S56-Y83 VanDerWaalsContact O-CA 3.26Å; S56-Y83 WeakPolarHBondContact O-CA 3.39Å; S56-Y83 WeakPolarHBondContact O-CB 3.41Å; S73-Y83 WeakPolarHBondContact CA-OH 3.41Å; S73-Y83 PolarHBondContact O-OH 3.32Å; F76-Y83 HydrophobicContact CB-CD2 4.46Å; F76-Y83 HydrophobicContact CB-CE1 4.38Å; F76-Y83 HydrophobicContact CB-CE2 3.75Å; F76-Y83 HydrophobicContact CD2-CE2 4.36Å; F76-Y83 HydrophobicContact CG-CE2 4.46Å; F77-Y83 AromaticContact CD1-CE1 3.95Å; F77-Y83 HydrophobicContact CD1-CE1 3.95Å; F77-Y83 WeakPolarHBondContact CD2-OH 3.5Å; F77-Y83 HydrophobicContact CE1-CE1 4.21Å; F77-Y83 HydrophobicContact CG-CE1 4.22Å; F77-Y83 PolarHBondContact N-OH 2.01Å; Y80-Y83 VanDerWaalsContact CB-CD1 3.49Å; Y80-Y83 WeakPolarHBondContact O-CD1 3.24Å; Y80-Y83 WeakPolarHBondContact O-CE1 3.1Å; Y83-Y85 HydrophobicContact CD2-CD1 4.25Å; Y83-Y85 AromaticContact CE2-CD1 3.69Å; Y83-Y85 HydrophobicContact CE2-CD1 3.69Å; Y83-Y85 HydrophobicContact CE2-CE1 4.49Å; Y83-Y85 HydrophobicContact CE2-CG 4.17Å
84	N	86.3	Confident	83.2	Confident	128 Å²	128	73.2 Å²	73.2	68%	0.684	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.1	163.5	-73.5	-38	0	0	0	108.4	L55 S56	L55-N84 CarbonylContact C-O 3.54Å; L55-N84 WeakPolarHBondContact CA-O 3.44Å; S56-N84 PolarHBondContact N-O 2.01Å; S56-N84 PolarHBondContact O-N 2.94Å
85	Y	87	Confident	83.6	Confident	80 Å²	80	67.7 Å²	67.7	31%	0.314	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.7	178.4	75.3	-75.5	0	0	0	110.8	S54 L55 S73 F76 Y83	S54-Y85 WeakPolarHBondContact O-CA 2.82Å; L55-Y85 VanDerWaalsContact CD2-CB 3.49Å; S73-Y85 PolarHBondContact N-OH 2.98Å; S73-Y85 VanDerWaalsContact N-OH 3.14Å; F76-Y85 HydrophobicContact CD2-CD2 4.45Å; F76-Y85 HydrophobicContact CE2-CD2 4.29Å; Y83-Y85 HydrophobicContact CD2-CD1 4.25Å; Y83-Y85 AromaticContact CE2-CD1 3.69Å; Y83-Y85 HydrophobicContact CE2-CD1 3.69Å; Y83-Y85 HydrophobicContact CE2-CE1 4.49Å; Y83-Y85 HydrophobicContact CE2-CG 4.17Å
86	T	89.5	Confident	83.5	Confident	45 Å²	45	65.9 Å²	65.9	28%	0.276	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.9	172	51.1	0	0	0	0	108	V53 S54	V53-T86 CarbonylContact C-O 3.53Å; V53-T86 WeakPolarHBondContact CA-O 3.4Å; S54-T86 PolarHBondContact N-O 2.86Å; S54-T86 PolarHBondContact O-N 2.88Å; S54-T86 PolarHBondContact O-OG1 3.37Å
87	C	90.1	Very high	82.6	Confident	16 Å²	16	67.8 Å²	67.8	11%	0.108	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.9	177.4	-47.1	0	0	0	0	110.9	W51 C52 C71 C100	W51-C87 HydrophobicContact CE3-CB 3.96Å; C52-C87 CarbonylContact O-C 3.18Å; C52-C87 VanDerWaalsContact O-CA 3.28Å; C52-C87 WeakPolarHBondContact O-CA 3.39Å; C71-C87 HydrophobicContact CB-CB 3.57Å; C71-C87 WeakPolarHBondContact CB-SG 3.42Å; C71-C87 WeakPolarHBondContact SG-CB 3.24Å; C71-C87 CovalentContact SG-SG 2.01Å; C71-C87 PolarHBondContact SG-SG 3.5Å; C87-C100 WeakPolarHBondContact O-CB 3.39Å
88	C	88.7	Confident	81.7	Confident	6 Å²	6	70 Å²	70	4%	0.041	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	158.7	175.7	60.2	0	0	0	0	110.1	C52 C93 N94 C100	C52-C88 PolarHBondContact N-O 2.81Å; C52-C88 PolarHBondContact O-N 2.01Å; C88-C93 HydrophobicContact CB-CB 3.77Å; C88-C93 WeakPolarHBondContact CB-SG 3.07Å; C88-C93 WeakPolarHBondContact SG-CB 3.29Å; C88-C93 CovalentContact SG-SG 2.01Å; C88-C93 PolarHBondContact SG-SG 2.79Å; C88-N94 PolarHBondContact SG-N 2.93Å; C88-N94 VanDerWaalsContact SG-N 3.35Å; C88-C100 HydrophobicContact CB-CB 3.49Å; C88-C100 VanDerWaalsContact CB-CB 3.49Å; C88-C100 WeakPolarHBondContact CB-SG 3.46Å
89	N	88.1	Confident	80.2	Confident	63 Å²	63	67.5 Å²	67.5	34%	0.337	36%	0.364	S	S	.	.			trans	-129.2	36.4	-172.6	68.2	-16.9	0	0	0	112.3	V24 W51	V24-N89 WeakPolarHBondContact CG1-O 3.32Å; W51-N89 HydrophobicContact CD2-CB 4.34Å; W51-N89 HydrophobicContact CE3-CB 3.83Å; W51-N89 HydrophobicContact CH2-CB 4.29Å; W51-N89 HydrophobicContact CZ3-CB 3.82Å
90	T	87	Confident	78.7	Confident	81 Å²	81	64.4 Å²	64.4	50%	0.497	35%	0.354	S	S	.	.	S	Bend	trans	-122.2	159.3	172.5	46.4	0	0	0	0	110	L92 C93	T90-L92 PolarHBondContact O-N 2.87Å; T90-C93 VanDerWaalsContact O-CB 3.24Å; T90-C93 WeakPolarHBondContact O-CB 3.46Å; T90-C93 PolarHBondContact O-N 2.86Å; T90-C93 PolarHBondContact O-SG 2.83Å; T90-C93 WeakPolarHBondContact OG1-CB 3.11Å
91	D	89.5	Confident	76.9	Confident	78 Å²	78	67.2 Å²	67.2	42%	0.417	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	124.7	-177.5	-107.4	14.2	0	0	0	111.8	V24 R25 C93	V24-D91 WeakPolarHBondContact CA-OD1 2.98Å; R25-D91 IonicContact CZ-OD2 2.75Å; R25-D91 PolarHBondContact N-OD1 3.12Å; R25-D91 IonicContact NE-OD1 2.74Å; R25-D91 IonicContact NE-OD2 2.88Å; R25-D91 PolarHBondContact NE-OD2 2.87Å; R25-D91 IonicContact NH2-OD2 3.95Å; R25-D91 PolarHBondContact NH2-OD2 3.04Å; D91-C93 PolarHBondContact O-N 2.79Å
92	L	91	Very high	75.5	Confident	36 Å²	36	65.6 Å²	65.6	19%	0.188	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	23.8	175.8	-58.4	175.7	0	0	0	113.6	R25 Y27 I45 T90 N94 V95	R25-L92 HydrophobicContact CB-CD2 3.82Å; R25-L92 HydrophobicContact CB-CG 4.2Å; R25-L92 WeakPolarHBondContact O-CA 3.48Å; R25-L92 PolarHBondContact O-N 2.83Å; Y27-L92 HydrophobicContact CD2-CB 4.28Å; Y27-L92 HydrophobicContact CD2-CD2 4.26Å; Y27-L92 HydrophobicContact CE1-CD2 4.29Å; Y27-L92 HydrophobicContact CE2-CB 3.68Å; Y27-L92 HydrophobicContact CE2-CD2 4.03Å; Y27-L92 HydrophobicContact CE2-CG 4.3Å; I45-L92 HydrophobicContact CD1-CD2 4.23Å; I45-L92 HydrophobicContact CG1-CD2 3.99Å; I45-L92 HydrophobicContact CG2-CD2 3.79Å; T90-L92 PolarHBondContact O-N 2.87Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.01Å; L92-V95 PolarHBondContact O-N 3.33Å
93	C	89.7	Confident	73.9	Confident	18 Å²	18	68.5 Å²	68.5	12%	0.122	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-66.6	-25	-171.1	62.2	0	0	0	0	113.8	C88 T90 D91 V95	C88-C93 HydrophobicContact CB-CB 3.77Å; C88-C93 WeakPolarHBondContact CB-SG 3.07Å; C88-C93 WeakPolarHBondContact SG-CB 3.29Å; C88-C93 CovalentContact SG-SG 2.01Å; C88-C93 PolarHBondContact SG-SG 2.79Å; T90-C93 VanDerWaalsContact O-CB 3.24Å; T90-C93 WeakPolarHBondContact O-CB 3.46Å; T90-C93 PolarHBondContact O-N 2.86Å; T90-C93 PolarHBondContact O-SG 2.83Å; T90-C93 WeakPolarHBondContact OG1-CB 3.11Å; D91-C93 PolarHBondContact O-N 2.79Å; C93-V95 PolarHBondContact O-N 3.14Å
94	N	91.3	Very high	72.3	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.011	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-75.2	11.7	179.5	68.6	-20.4	0	0	0	113.8	Y27 C52 V53 K65 C88 L92 S96	Y27-N94 PolarHBondContact N-OD1 2.86Å; Y27-N94 PolarHBondContact O-ND2 3.16Å; C52-N94 HydrophobicContact CB-CB 3.66Å; V53-N94 PolarHBondContact O-ND2 3.2Å; V53-N94 VanDerWaalsContact O-ND2 3.12Å; K65-N94 HydrophobicContact CD-CB 4.41Å; K65-N94 WeakPolarHBondContact CD-O 3.38Å; K65-N94 WeakPolarHBondContact CE-O 3.18Å; K65-N94 PolarHBondContact NZ-O 2.8Å; C88-N94 PolarHBondContact SG-N 2.93Å; C88-N94 VanDerWaalsContact SG-N 3.35Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.01Å; N94-S96 VanDerWaalsContact C-N 3.27Å; N94-S96 PolarHBondContact O-N 3.02Å
95	V	86.7	Confident	70.9	Confident	45 Å²	45	75.5 Å²	75.5	27%	0.273	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-56.2	-39.4	172.9	69.8	0	0	0	0	112.8	Y27 F36 R38 L92 C93	Y27-V95 HydrophobicContact CD2-CB 4.17Å; Y27-V95 HydrophobicContact CE2-CB 3.84Å; Y27-V95 HydrophobicContact CE2-CG2 4.06Å; F36-V95 WeakPolarHBondContact CE1-O 3.08Å; F36-V95 HydrophobicContact CZ-CG2 4.31Å; R38-V95 HydrophobicContact CG-CG2 4.39Å; L92-V95 PolarHBondContact O-N 3.33Å; C93-V95 PolarHBondContact O-N 3.14Å
96	S	71.8	Confident	69.6	Low	45 Å²	45	77.6 Å²	77.6	32%	0.315	41%	0.409	S	S	.	.	S	Bend	trans	-129.4	143.7	177.2	76.2	0	0	0	0	108.8	N94 K98	N94-S96 VanDerWaalsContact C-N 3.27Å; N94-S96 PolarHBondContact O-N 3.02Å; S96-K98 PolarHBondContact O-N 2.96Å
97	S	57.8	Low	68.4	Low	49 Å²	49	81.8 Å²	81.8	34%	0.343	42%	0.424	S	S	.	.			trans	-69.1	28.7	176.6	49.7	0	0	0	0	113.4	F34 I99	F34-S97 WeakPolarHBondContact CZ-OG 3.43Å; S97-I99 PolarHBondContact O-N 3.48Å
98	K	50.6	Low	67.3	Low	165 Å²	165	86.1 Å²	86.1	72%	0.717	45%	0.446	S	S	*	.			trans	-66.8	121.9	174	-81.6	-173	175.6	-175.9	0	108.6	S96 C100	S96-K98 PolarHBondContact O-N 2.96Å; K98-C100 PolarHBondContact O-N 2.94Å; K98-C100 PolarHBondContact O-SG 3.25Å; K98-C100 VanDerWaalsContact O-SG 3.36Å
99	I	44.3	Very low	66.3	Low	147 Å²	147	87.4 Å²	87.4	75%	0.754	45%	0.454	S	S	*	.			trans	-48.1	110.6	173.8	-62.8	164.9	0	0	0	107.7	S97 T101	S97-I99 PolarHBondContact O-N 3.48Å; I99-T101 PolarHBondContact O-N 2.84Å
100	C	45.6	Very low	65.7	Low	49 Å²	49	89.7 Å²	89.7	33%	0.331	47%	0.465	S	S	.	.			trans	-85.4	115.4	-179.8	-78.5	0	0	0	0	109.3	C87 C88 K98 T102	C87-C100 WeakPolarHBondContact O-CB 3.39Å; C88-C100 HydrophobicContact CB-CB 3.49Å; C88-C100 VanDerWaalsContact CB-CB 3.49Å; C88-C100 WeakPolarHBondContact CB-SG 3.46Å; K98-C100 PolarHBondContact O-N 2.94Å; K98-C100 PolarHBondContact O-SG 3.25Å; K98-C100 VanDerWaalsContact O-SG 3.36Å; C100-T102 PolarHBondContact O-N 2.98Å
101	T	41	Very low	65.1	Low	94 Å²	94	88.4 Å²	88.4	58%	0.577	46%	0.456	S	S	*	.			trans	-78.8	108.4	169	-42.3	0	0	0	0	107.7	I99 Y103	I99-T101 PolarHBondContact O-N 2.84Å; T101-Y103 VanDerWaalsContact C-N 3.31Å; T101-Y103 HydrophobicContact CG2-CD2 3.68Å; T101-Y103 HydrophobicContact CG2-CE1 4.5Å; T101-Y103 HydrophobicContact CG2-CE2 3.27Å; T101-Y103 HydrophobicContact CG2-CG 4.45Å; T101-Y103 PolarHBondContact O-N 2.77Å
102	T	45.2	Very low	64.4	Low	85 Å²	85	87.3 Å²	87.3	52%	0.521	45%	0.449	S	S	.	.			trans	-64.7	89.3	173.2	-39.8	0	0	0	0	109	W51 C100 K104	W51-T102 HydrophobicContact CH2-CG2 4.23Å; C100-T102 PolarHBondContact O-N 2.98Å; T102-K104 PolarHBondContact O-N 2.86Å
103	Y	47.3	Very low	63.8	Low	186 Å²	186	89.9 Å²	89.9	73%	0.729	46%	0.462	S	S	*	.			trans	-82.5	98.8	176.3	-85.2	-78.2	0	0	0	111.1	T101	T101-Y103 VanDerWaalsContact C-N 3.31Å; T101-Y103 HydrophobicContact CG2-CD2 3.68Å; T101-Y103 HydrophobicContact CG2-CE1 4.5Å; T101-Y103 HydrophobicContact CG2-CE2 3.27Å; T101-Y103 HydrophobicContact CG2-CG 4.45Å; T101-Y103 PolarHBondContact O-N 2.77Å
104	K	48.8	Very low	63.4	Low	154 Å²	154	95.7 Å²	95.7	67%	0.67	48%	0.482	S	S	*	.			trans	35.5	83	137.3	-60.2	-174	178.1	-175.8	0	117.9	T102 L106	T102-K104 PolarHBondContact O-N 2.86Å; K104-L106 PolarHBondContact O-N 3.48Å
105	I	57.2	Low	62.8	Low	141 Å²	141	101.3 Å²	101.3	72%	0.723	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.2	154.7	-65.2	173.8	0	0	0	111.4	F107	I105-F107 PolarHBondContact O-N 2.04Å; I105-F107 VanDerWaalsContact O-N 3.14Å
106	L	59.2	Low	62.4	Low	124 Å²	124	103.9 Å²	103.9	65%	0.649	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.2	177.9	-81.1	159.3	0	0	0	115.4	K104 L110	K104-L106 PolarHBondContact O-N 3.48Å; L106-L110 WeakPolarHBondContact O-CD1 3.36Å; L106-L110 WeakPolarHBondContact O-CG 3.12Å
107	F	65.6	Low	62.8	Low	134 Å²	134	108 Å²	108	59%	0.588	53%	0.525	S	S	*	.	H	α-helix	trans	-71.2	-35.2	-173.9	-162.3	-109.9	0	0	0	113.1	I105 L111	I105-F107 PolarHBondContact O-N 2.04Å; I105-F107 VanDerWaalsContact O-N 3.14Å; F107-L111 HydrophobicContact CD1-CD1 3.49Å; F107-L111 VanDerWaalsContact CD1-CD1 3.49Å; F107-L111 HydrophobicContact CD1-CG 3.98Å; F107-L111 HydrophobicContact CE1-CD1 3.35Å; F107-L111 HydrophobicContact CE1-CD2 4.16Å; F107-L111 HydrophobicContact CE1-CG 3.77Å; F107-L111 HydrophobicContact CZ-CD1 4.26Å; F107-L111 HydrophobicContact CZ-CD2 4.29Å; F107-L111 HydrophobicContact CZ-CG 4.23Å; F107-L111 WeakPolarHBondContact O-CG 3.26Å; F107-L111 PolarHBondContact O-N 3.09Å
108	L	67.5	Low	63.6	Low	107 Å²	107	109.1 Å²	109.1	56%	0.56	53%	0.527	S	S	*	.	H	α-helix	trans	-67.7	-50.1	-175.3	-162.7	75.1	0	0	0	113.5	L110 L111 I112	L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 3.1Å; L108-L111 PolarHBondContact O-N 2.85Å; L108-I112 WeakPolarHBondContact O-CG1 3.5Å; L108-I112 PolarHBondContact O-N 3.01Å; L108-I112 VanDerWaalsContact O-N 3.09Å
109	P	67.9	Low	64.4	Low	33 Å²	33	106.7 Å²	106.7	21%	0.214	53%	0.526	C	S	.	.	H	α-helix	trans	-62.1	-38.3	175.7	17.8	-28.5	0	0	0	112.7	M16 L111 I112 I113	M16-P109 HydrophobicContact CE-CB 3.87Å; M16-P109 HydrophobicContact SD-CB 3.77Å; M16-P109 HydrophobicContact SD-CG 3.93Å; P109-L111 VanDerWaalsContact C-N 3.33Å; P109-L111 PolarHBondContact O-N 3.03Å; P109-I112 PolarHBondContact O-N 3.47Å; P109-I113 VanDerWaalsContact O-CG1 3.3Å; P109-I113 WeakPolarHBondContact O-CG1 3.19Å; P109-I113 PolarHBondContact O-N 3Å
110	L	74.5	Confident	65.1	Low	110 Å²	110	105.8 Å²	105.8	58%	0.576	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-38.6	177.3	-70.1	173.4	0	0	0	112.1	L106 L108 Y114	L106-L110 WeakPolarHBondContact O-CD1 3.36Å; L106-L110 WeakPolarHBondContact O-CG 3.12Å; L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 3.1Å; L110-Y114 VanDerWaalsContact O-CB 3.29Å; L110-Y114 WeakPolarHBondContact O-CB 3.21Å; L110-Y114 PolarHBondContact O-N 3.03Å
111	L	74.2	Confident	65.3	Low	55 Å²	55	114.5 Å²	114.5	29%	0.288	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-44.7	173.7	-83.2	175.3	0	0	0	112.3	F107 L108 P109 I113 Y114 F115	F107-L111 HydrophobicContact CD1-CD1 3.49Å; F107-L111 VanDerWaalsContact CD1-CD1 3.49Å; F107-L111 HydrophobicContact CD1-CG 3.98Å; F107-L111 HydrophobicContact CE1-CD1 3.35Å; F107-L111 HydrophobicContact CE1-CD2 4.16Å; F107-L111 HydrophobicContact CE1-CG 3.77Å; F107-L111 HydrophobicContact CZ-CD1 4.26Å; F107-L111 HydrophobicContact CZ-CD2 4.29Å; F107-L111 HydrophobicContact CZ-CG 4.23Å; F107-L111 WeakPolarHBondContact O-CG 3.26Å; F107-L111 PolarHBondContact O-N 3.09Å; L108-L111 PolarHBondContact O-N 2.85Å; P109-L111 VanDerWaalsContact C-N 3.33Å; P109-L111 PolarHBondContact O-N 3.03Å; L111-I113 VanDerWaalsContact C-N 3.34Å; L111-I113 PolarHBondContact O-N 2.92Å; L111-Y114 WeakPolarHBondContact O-CB 3.38Å; L111-Y114 PolarHBondContact O-N 2.74Å; L111-F115 HydrophobicContact CB-CD2 4.48Å; L111-F115 HydrophobicContact CB-CE2 4.48Å; L111-F115 HydrophobicContact CD2-CE2 4.09Å; L111-F115 WeakPolarHBondContact O-CD2 3.36Å; L111-F115 PolarHBondContact O-N 2.68Å
112	I	75.4	Confident	66.5	Low	54 Å²	54	115.5 Å²	115.5	28%	0.277	55%	0.549	S	S	.	.	H	α-helix	trans	-62.1	-45	180	-65.9	169	0	0	0	110.4	L9 L12 L108 P109 Y114 F115 Y116	L9-I112 HydrophobicContact CD2-CG2 4.18Å; L12-I112 HydrophobicContact CD1-CD1 4.35Å; L12-I112 HydrophobicContact CD2-CD1 3.67Å; L108-I112 WeakPolarHBondContact O-CG1 3.5Å; L108-I112 PolarHBondContact O-N 3.01Å; L108-I112 VanDerWaalsContact O-N 3.09Å; P109-I112 PolarHBondContact O-N 3.47Å; I112-Y114 VanDerWaalsContact C-N 3.33Å; I112-Y114 PolarHBondContact O-N 3.15Å; I112-F115 PolarHBondContact O-N 3.17Å; I112-Y116 WeakPolarHBondContact O-CB 3.14Å; I112-Y116 PolarHBondContact O-N 3.13Å
113	I	77.9	Confident	67.6	Low	91 Å²	91	117.1 Å²	117.1	47%	0.467	55%	0.551	S	S	.	*	H	α-helix	trans	-61.5	-43.8	175.9	-66.9	168.2	0	0	0	110.5	P109 L111 Y116 F117	P109-I113 VanDerWaalsContact O-CG1 3.3Å; P109-I113 WeakPolarHBondContact O-CG1 3.19Å; P109-I113 PolarHBondContact O-N 3Å; L111-I113 VanDerWaalsContact C-N 3.34Å; L111-I113 PolarHBondContact O-N 2.92Å; I113-Y116 PolarHBondContact O-N 3.12Å; I113-F117 HydrophobicContact CG2-CD2 3.66Å; I113-F117 HydrophobicContact CG2-CE2 3.55Å; I113-F117 WeakPolarHBondContact O-CD2 3.09Å; I113-F117 PolarHBondContact O-N 3.32Å; I113-F117 VanDerWaalsContact O-N 3.11Å
114	Y	80.8	Confident	68.7	Low	139 Å²	139	113.3 Å²	113.3	55%	0.545	54%	0.541	S	S	.	.	H	α-helix	trans	-60.5	-47.4	176.5	175	-91.7	0	0	0	112.3	L110 L111 I112 Y116 F117 N118	L110-Y114 VanDerWaalsContact O-CB 3.29Å; L110-Y114 WeakPolarHBondContact O-CB 3.21Å; L110-Y114 PolarHBondContact O-N 3.03Å; L111-Y114 WeakPolarHBondContact O-CB 3.38Å; L111-Y114 PolarHBondContact O-N 2.74Å; I112-Y114 VanDerWaalsContact C-N 3.33Å; I112-Y114 PolarHBondContact O-N 3.15Å; Y114-Y116 VanDerWaalsContact C-N 3.34Å; Y114-Y116 PolarHBondContact O-N 2.74Å; Y114-F117 PolarHBondContact O-N 3.27Å; Y114-N118 WeakPolarHBondContact CD2-ND2 3.37Å; Y114-N118 WeakPolarHBondContact CE2-ND2 3.33Å; Y114-N118 WeakPolarHBondContact O-CB 3.35Å; Y114-N118 PolarHBondContact O-N 3.35Å; Y114-N118 VanDerWaalsContact O-N 3.09Å; Y114-N118 PolarHBondContact O-ND2 2.89Å
115	F	80.2	Confident	69.9	Low	121 Å²	121	110.9 Å²	110.9	53%	0.531	53%	0.533	S	S	.	.	H	α-helix	trans	-65.2	-38.5	178	-79	-65.8	0	0	0	111.9	L111 I112 F117 N118 V119	L111-F115 HydrophobicContact CB-CD2 4.48Å; L111-F115 HydrophobicContact CB-CE2 4.48Å; L111-F115 HydrophobicContact CD2-CE2 4.09Å; L111-F115 WeakPolarHBondContact O-CD2 3.36Å; L111-F115 PolarHBondContact O-N 2.68Å; I112-F115 PolarHBondContact O-N 3.17Å; F115-F117 PolarHBondContact O-N 3.05Å; F115-N118 PolarHBondContact O-N 2.91Å; F115-V119 WeakPolarHBondContact O-CB 3.38Å; F115-V119 VanDerWaalsContact O-CG2 3.23Å; F115-V119 WeakPolarHBondContact O-CG2 3.19Å; F115-V119 PolarHBondContact O-N 3.08Å
116	Y	78.1	Confident	70.7	Confident	99 Å²	99	109 Å²	109	39%	0.388	52%	0.521	S	S	.	.	H	α-helix	trans	-57.8	-49.5	176	-175	-92.4	0	0	0	111.7	I112 I113 Y114 N118 E120	I112-Y116 WeakPolarHBondContact O-CB 3.14Å; I112-Y116 PolarHBondContact O-N 3.13Å; I113-Y116 PolarHBondContact O-N 3.12Å; Y114-Y116 VanDerWaalsContact C-N 3.34Å; Y114-Y116 PolarHBondContact O-N 2.74Å; Y116-N118 PolarHBondContact O-N 3.01Å; Y116-E120 VanDerWaalsContact CZ-OE1 3.22Å; Y116-E120 PolarHBondContact OH-OE1 3.12Å
117	F	78.9	Confident	71.5	Confident	131 Å²	131	108 Å²	108	58%	0.575	51%	0.513	S	S	*	.	H	α-helix	trans	-74.2	-21.2	-179	-74.9	-62.2	0	0	0	115	I113 Y114 F115	I113-F117 HydrophobicContact CG2-CD2 3.66Å; I113-F117 HydrophobicContact CG2-CE2 3.55Å; I113-F117 WeakPolarHBondContact O-CD2 3.09Å; I113-F117 PolarHBondContact O-N 3.32Å; I113-F117 VanDerWaalsContact O-N 3.11Å; Y114-F117 PolarHBondContact O-N 3.27Å; F115-F117 PolarHBondContact O-N 3.05Å
118	N	76.2	Confident	71.9	Confident	72 Å²	72	106.1 Å²	106.1	39%	0.385	51%	0.508	S	S	.	.	H	α-helix	trans	-97.9	-16.4	179.8	-70.2	-67.6	0	0	0	114	Y114 F115 Y116	Y114-N118 WeakPolarHBondContact CD2-ND2 3.37Å; Y114-N118 WeakPolarHBondContact CE2-ND2 3.33Å; Y114-N118 WeakPolarHBondContact O-CB 3.35Å; Y114-N118 PolarHBondContact O-N 3.35Å; Y114-N118 VanDerWaalsContact O-N 3.09Å; Y114-N118 PolarHBondContact O-ND2 2.89Å; F115-N118 PolarHBondContact O-N 2.91Å; Y116-N118 PolarHBondContact O-N 3.01Å
119	V	66.4	Low	72.2	Confident	115 Å²	115	106.1 Å²	106.1	70%	0.697	50%	0.503	S	S	*	.	H	α-helix	trans	-81.1	-22.9	171.8	170.4	0	0	0	0	111.5	F115 K121	F115-V119 WeakPolarHBondContact O-CB 3.38Å; F115-V119 VanDerWaalsContact O-CG2 3.23Å; F115-V119 WeakPolarHBondContact O-CG2 3.19Å; F115-V119 PolarHBondContact O-N 3.08Å; V119-K121 VanDerWaalsContact C-N 3.26Å; V119-K121 PolarHBondContact O-N 3.1Å
120	E	58.8	Low	72.6	Confident	128 Å²	128	112.2 Å²	112.2	60%	0.598	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	9.1	174.6	-72.6	-175.7	174	0	0	114.4	Y116	Y116-E120 VanDerWaalsContact CZ-OE1 3.22Å; Y116-E120 PolarHBondContact OH-OE1 3.12Å
121	K	49.9	Very low	72.4	Confident	231 Å²	231	112.4 Å²	112.4	100%	1.004	52%	0.523	S	S	*	.			trans	-118.9	0	173.3	-75.8	-175.3	179.5	176.7	0	111.5	V119	V119-K121 VanDerWaalsContact C-N 3.26Å; V119-K121 PolarHBondContact O-N 3.1Å

Retrieved 121 of 121 residues in 57 ms (Link to these results)

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