A0A913KUT7_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A913KUT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 128 aa.

						>A0A913KUT7_SCHMA|A0A913KUT7
MNDDDHDTMMIDLLFILYYIFLPIIYEYEPDLIYLWNGSNYQMKNESISSDILARIIYLLNGLGKPVLINGSSINELSSISFIQSLQGKPISIGFNELIQTSPSSKMKHIIQLIIQQNHQRWKCLGQF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	48.7	Very low	69.4	Low	123 Å²	123	71.5 Å²	71.5	61%	0.606	38%	0.375	S	S	*	.				0	129	0	-117.7	137.3	143.4	0	0	105.9	D5	M1-D5 HydrophobicContact CG-CB 3.92Å
2	N	55.4	Low	71	Confident	118 Å²	118	67.3 Å²	67.3	63%	0.631	35%	0.354	S	S	*	.			trans	-71.8	151.7	174.7	-67.6	-16.5	0	0	0	108.1	D4 D5	N2-D4 PolarHBondContact O-N 3.29Å; N2-D4 VanDerWaalsContact O-N 3.12Å; N2-D5 PolarHBondContact N-OD2 3.24Å; N2-D5 WeakPolarHBondContact O-CB 3.28Å; N2-D5 PolarHBondContact O-N 2.77Å
3	D	57.8	Low	72.3	Confident	132 Å²	132	65.8 Å²	65.8	71%	0.706	35%	0.346	S	S	*	.	H	α-helix	trans	-53.4	-35.6	-179.5	-69.2	-29.2	0	0	0	111.6	D5 H6 D7	D3-D5 VanDerWaalsContact C-N 3.31Å; D3-D5 PolarHBondContact O-N 3.37Å; D3-H6 PolarHBondContact O-N 3.35Å; D3-D7 PolarHBondContact O-N 2.83Å
4	D	63.1	Low	73.5	Confident	116 Å²	116	62.5 Å²	62.5	62%	0.62	33%	0.328	S	S	*	.	H	α-helix	trans	-58	-35.2	175	-66.3	-24.3	0	0	0	114.1	N2 T8	N2-D4 PolarHBondContact O-N 3.29Å; N2-D4 VanDerWaalsContact O-N 3.12Å; D4-T8 WeakPolarHBondContact O-CB 3.33Å; D4-T8 PolarHBondContact O-N 3.19Å; D4-T8 PolarHBondContact O-OG1 3.01Å
5	D	68.6	Low	74.7	Confident	83 Å²	83	61.9 Å²	61.9	44%	0.444	32%	0.322	S	S	.	.	H	α-helix	trans	-70.2	-40.1	179.6	-68.6	-34.9	0	0	0	110.8	M1 N2 D3 M9	M1-D5 HydrophobicContact CG-CB 3.92Å; N2-D5 PolarHBondContact N-OD2 3.24Å; N2-D5 WeakPolarHBondContact O-CB 3.28Å; N2-D5 PolarHBondContact O-N 2.77Å; D3-D5 VanDerWaalsContact C-N 3.31Å; D3-D5 PolarHBondContact O-N 3.37Å; D5-M9 WeakPolarHBondContact O-CB 3.4Å; D5-M9 PolarHBondContact O-N 3.26Å
6	H	69.5	Low	75.8	Confident	56 Å²	56	59.4 Å²	59.4	26%	0.259	31%	0.309	S	S	.	.	H	α-helix	trans	-66.9	-41.4	177.4	-86.2	-61.6	0	0	0	111.5	D3 M9 M10	D3-H6 PolarHBondContact O-N 3.35Å; H6-M9 PolarHBondContact O-N 3.18Å; H6-M10 WeakPolarHBondContact O-CB 3.37Å; H6-M10 PolarHBondContact O-N 2.85Å
7	D	73	Confident	76.8	Confident	34 Å²	34	56.8 Å²	56.8	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-41.1	177.9	-78.1	-22.9	0	0	0	111.9	D3 M10 I11 I99	D3-D7 PolarHBondContact O-N 2.83Å; D7-M10 WeakPolarHBondContact O-CB 3.42Å; D7-M10 PolarHBondContact O-N 2.87Å; D7-I11 WeakPolarHBondContact O-CG1 3.5Å; D7-I11 PolarHBondContact O-N 3.08Å; D7-I99 HydrophobicContact CB-CD1 3.68Å; D7-I99 HydrophobicContact CB-CG1 3.83Å; D7-I99 HydrophobicContact CB-CG2 3.78Å; D7-I99 WeakPolarHBondContact OD2-CD1 3.47Å; D7-I99 WeakPolarHBondContact OD2-CG1 3.37Å
8	T	78.2	Confident	77.6	Confident	56 Å²	56	60.5 Å²	60.5	34%	0.344	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-45.4	173.9	-56.7	0	0	0	0	111.3	D4 M10 I11 D12	D4-T8 WeakPolarHBondContact O-CB 3.33Å; D4-T8 PolarHBondContact O-N 3.19Å; D4-T8 PolarHBondContact O-OG1 3.01Å; T8-M10 VanDerWaalsContact C-N 3.3Å; T8-M10 PolarHBondContact O-N 3.06Å; T8-I11 PolarHBondContact O-N 2.91Å; T8-D12 PolarHBondContact O-N 2.78Å
9	M	80.5	Confident	78.5	Confident	45 Å²	45	62.4 Å²	62.4	22%	0.222	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-40.8	176.8	-173.8	179.8	81.2	0	0	111.7	D5 H6 D12 L13 I52	D5-M9 WeakPolarHBondContact O-CB 3.4Å; D5-M9 PolarHBondContact O-N 3.26Å; H6-M9 PolarHBondContact O-N 3.18Å; M9-D12 PolarHBondContact O-N 3.27Å; M9-L13 HydrophobicContact CG-CD1 4.22Å; M9-L13 WeakPolarHBondContact O-CB 3.19Å; M9-L13 WeakPolarHBondContact O-CG 3.39Å; M9-L13 PolarHBondContact O-N 3.35Å; M9-I52 HydrophobicContact CE-CD1 3.42Å; M9-I52 VanDerWaalsContact CE-CD1 3.42Å
10	M	82.1	Confident	79.3	Confident	9 Å²	9	59.5 Å²	59.5	4%	0.044	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-44.7	176.6	179.5	179.6	56	0	0	111.4	H6 D7 T8 L13 L14 I52 R55 F95 I99	H6-M10 WeakPolarHBondContact O-CB 3.37Å; H6-M10 PolarHBondContact O-N 2.85Å; D7-M10 WeakPolarHBondContact O-CB 3.42Å; D7-M10 PolarHBondContact O-N 2.87Å; T8-M10 VanDerWaalsContact C-N 3.3Å; T8-M10 PolarHBondContact O-N 3.06Å; M10-L13 PolarHBondContact O-N 2.95Å; M10-L14 HydrophobicContact CG-CD1 4.08Å; M10-L14 VanDerWaalsContact O-CG 3.3Å; M10-L14 WeakPolarHBondContact O-CG 3.14Å; M10-L14 PolarHBondContact O-N 3.41Å; M10-I52 HydrophobicContact CB-CD1 4.04Å; M10-I52 HydrophobicContact CB-CG1 3.93Å; M10-I52 HydrophobicContact CG-CG1 4.05Å; M10-I52 HydrophobicContact SD-CG1 4.44Å; M10-R55 WeakPolarHBondContact SD-CD 3.37Å; M10-R55 PolarHBondContact SD-NE 2.94Å; M10-F95 HydrophobicContact CE-CD1 3.41Å; M10-F95 VanDerWaalsContact CE-CD1 3.41Å; M10-F95 HydrophobicContact CE-CE1 3.47Å; M10-F95 VanDerWaalsContact CE-CE1 3.47Å; M10-F95 HydrophobicContact CG-CE1 4.41Å; M10-F95 HydrophobicContact SD-CD1 4.31Å; M10-F95 HydrophobicContact SD-CE1 3.83Å; M10-I99 HydrophobicContact CE-CD1 4.49Å
11	I	86.4	Confident	80	Confident	14 Å²	14	61.6 Å²	61.6	7%	0.072	30%	0.303	C	S	.	.	H	α-helix	trans	-65.5	-44.7	178.9	-71.6	-174.4	0	0	0	111	D7 T8 L13 L14 F15 I99 Q100	D7-I11 WeakPolarHBondContact O-CG1 3.5Å; D7-I11 PolarHBondContact O-N 3.08Å; T8-I11 PolarHBondContact O-N 2.91Å; I11-L13 VanDerWaalsContact C-N 3.29Å; I11-L13 PolarHBondContact O-N 3.49Å; I11-L14 PolarHBondContact O-N 2.89Å; I11-L14 VanDerWaalsContact O-N 3.17Å; I11-F15 HydrophobicContact CG2-CD2 3.77Å; I11-F15 HydrophobicContact CG2-CE2 3.9Å; I11-F15 WeakPolarHBondContact O-CD2 3.24Å; I11-F15 PolarHBondContact O-N 3.46Å; I11-I99 HydrophobicContact CD1-CB 4.3Å; I11-I99 HydrophobicContact CD1-CG2 3.32Å; I11-I99 HydrophobicContact CG1-CG2 4.32Å; I11-Q100 WeakPolarHBondContact CD1-O 3.38Å
12	D	89.1	Confident	82.1	Confident	22 Å²	22	56.5 Å²	56.5	12%	0.118	28%	0.278	C	S	.	.	H	α-helix	trans	-57.6	-43.2	175.2	-85.2	-1.9	0	0	0	111.9	T8 M9 F15 I16 P103 S104 M107	T8-D12 PolarHBondContact O-N 2.78Å; M9-D12 PolarHBondContact O-N 3.27Å; D12-F15 PolarHBondContact O-N 3.3Å; D12-I16 PolarHBondContact O-N 3.26Å; D12-I16 VanDerWaalsContact O-N 3.07Å; D12-P103 VanDerWaalsContact OD1-CA 3.24Å; D12-P103 WeakPolarHBondContact OD1-CA 3.47Å; D12-P103 WeakPolarHBondContact OD1-CB 3.41Å; D12-S104 PolarHBondContact OD1-N 3.08Å; D12-S104 PolarHBondContact OD1-OG 3.24Å; D12-S104 VanDerWaalsContact OD2-CB 3.28Å; D12-S104 WeakPolarHBondContact OD2-CB 3.5Å; D12-S104 PolarHBondContact OD2-OG 3.49Å; D12-M107 HydrophobicContact CB-CB 4.07Å; D12-M107 HydrophobicContact CB-CE 3.73Å; D12-M107 HydrophobicContact CB-CG 3.95Å; D12-M107 VanDerWaalsContact CG-CB 3.42Å; D12-M107 VanDerWaalsContact OD1-CB 3.31Å; D12-M107 WeakPolarHBondContact OD1-CB 3.44Å
13	L	88.2	Confident	84	Confident	48 Å²	48	52.1 Å²	52.1	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-63.8	-41.7	175.2	-83.3	168.1	0	0	0	112.8	M9 M10 I11 I16 L17 I52	M9-L13 HydrophobicContact CG-CD1 4.22Å; M9-L13 WeakPolarHBondContact O-CB 3.19Å; M9-L13 WeakPolarHBondContact O-CG 3.39Å; M9-L13 PolarHBondContact O-N 3.35Å; M10-L13 PolarHBondContact O-N 2.95Å; I11-L13 VanDerWaalsContact C-N 3.29Å; I11-L13 PolarHBondContact O-N 3.49Å; L13-I16 VanDerWaalsContact O-CG2 3.22Å; L13-I16 WeakPolarHBondContact O-CG2 3.33Å; L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.16Å; L13-L17 PolarHBondContact O-N 2.99Å; L13-I52 HydrophobicContact CD1-CG2 3.67Å
14	L	87.9	Confident	85.8	Confident	19 Å²	19	47.2 Å²	47.2	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-42.7	176.9	-72.7	168.3	0	0	0	111.2	M10 I11 L17 Y18 L59 F95	M10-L14 HydrophobicContact CG-CD1 4.08Å; M10-L14 VanDerWaalsContact O-CG 3.3Å; M10-L14 WeakPolarHBondContact O-CG 3.14Å; M10-L14 PolarHBondContact O-N 3.41Å; I11-L14 PolarHBondContact O-N 2.89Å; I11-L14 VanDerWaalsContact O-N 3.17Å; L14-L17 WeakPolarHBondContact O-CB 3.15Å; L14-L17 PolarHBondContact O-N 2.89Å; L14-Y18 HydrophobicContact CB-CD2 4.43Å; L14-Y18 HydrophobicContact CB-CE2 4.46Å; L14-Y18 HydrophobicContact CD2-CE2 4.42Å; L14-Y18 WeakPolarHBondContact O-CD2 3.3Å; L14-Y18 PolarHBondContact O-N 3.02Å; L14-L59 HydrophobicContact CD2-CD1 3.59Å; L14-F95 HydrophobicContact CD1-CE1 3.51Å; L14-F95 HydrophobicContact CD1-CZ 3.43Å; L14-F95 VanDerWaalsContact CD1-CZ 3.43Å
15	F	92.3	Very high	87.3	Confident	53 Å²	53	43.2 Å²	43.2	23%	0.232	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-46.5	178.8	-92.8	-96.8	0	0	0	111.9	I11 D12 L17 Y18 Y19 P103 I111	I11-F15 HydrophobicContact CG2-CD2 3.77Å; I11-F15 HydrophobicContact CG2-CE2 3.9Å; I11-F15 WeakPolarHBondContact O-CD2 3.24Å; I11-F15 PolarHBondContact O-N 3.46Å; D12-F15 PolarHBondContact O-N 3.3Å; F15-L17 PolarHBondContact O-N 3.1Å; F15-Y18 PolarHBondContact O-N 3.28Å; F15-Y19 AromaticContact CD1-CD2 3.8Å; F15-Y19 HydrophobicContact CD1-CD2 3.8Å; F15-Y19 AromaticContact CD1-CE2 3.44Å; F15-Y19 HydrophobicContact CD1-CE2 3.44Å; F15-Y19 VanDerWaalsContact CD1-CE2 3.44Å; F15-Y19 HydrophobicContact CE1-CD2 4.48Å; F15-Y19 AromaticContact CE1-CE2 3.68Å; F15-Y19 HydrophobicContact CE1-CE2 3.68Å; F15-Y19 HydrophobicContact CG-CE2 4.47Å; F15-Y19 WeakPolarHBondContact O-CB 3.42Å; F15-Y19 VanDerWaalsContact O-CD2 3.32Å; F15-Y19 WeakPolarHBondContact O-CD2 3.36Å; F15-Y19 PolarHBondContact O-N 3.4Å; F15-P103 HydrophobicContact CB-CB 3.94Å; F15-P103 HydrophobicContact CB-CG 4.18Å; F15-P103 HydrophobicContact CD1-CB 4.14Å; F15-P103 HydrophobicContact CD1-CG 3.47Å; F15-P103 VanDerWaalsContact CD1-CG 3.47Å; F15-P103 HydrophobicContact CD2-CB 4.01Å; F15-P103 HydrophobicContact CD2-CG 4.08Å; F15-P103 VanDerWaalsContact CE1-CD 3.46Å; F15-P103 HydrophobicContact CE1-CG 3.81Å; F15-P103 HydrophobicContact CE2-CG 4.37Å; F15-P103 HydrophobicContact CG-CB 3.75Å; F15-P103 HydrophobicContact CG-CG 3.63Å; F15-P103 VanDerWaalsContact CZ-CD 3.46Å; F15-P103 HydrophobicContact CZ-CG 4.26Å; F15-I111 HydrophobicContact CB-CD1 4.05Å
16	I	92.7	Very high	88.5	Confident	23 Å²	23	45.8 Å²	45.8	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-33.7	175.7	-162.7	170.1	0	0	0	111.4	D12 L13 I20 F21 M107 I110 I111 I114	D12-I16 PolarHBondContact O-N 3.26Å; D12-I16 VanDerWaalsContact O-N 3.07Å; L13-I16 VanDerWaalsContact O-CG2 3.22Å; L13-I16 WeakPolarHBondContact O-CG2 3.33Å; I16-I20 HydrophobicContact CG1-CB 4.12Å; I16-I20 HydrophobicContact CG1-CG1 3.92Å; I16-I20 WeakPolarHBondContact O-CA 3.35Å; I16-I20 VanDerWaalsContact O-CB 3.28Å; I16-I20 WeakPolarHBondContact O-CB 3.34Å; I16-I20 PolarHBondContact O-N 2.93Å; I16-F21 HydrophobicContact CD1-CE2 4.1Å; I16-F21 HydrophobicContact CG1-CD2 4.24Å; I16-F21 HydrophobicContact CG1-CE2 3.88Å; I16-F21 HydrophobicContact CG2-CD2 4.35Å; I16-F21 HydrophobicContact CG2-CE2 4.09Å; I16-F21 PolarHBondContact O-N 2.96Å; I16-M107 HydrophobicContact CB-CE 4.42Å; I16-M107 HydrophobicContact CB-SD 3.95Å; I16-M107 HydrophobicContact CD1-SD 4.21Å; I16-M107 HydrophobicContact CG1-SD 4.47Å; I16-M107 HydrophobicContact CG2-CE 4.47Å; I16-I110 HydrophobicContact CD1-CG2 4.48Å; I16-I111 HydrophobicContact CG1-CG1 4.48Å; I16-I114 HydrophobicContact CD1-CD1 4.05Å
17	L	91.9	Very high	89.7	Confident	15 Å²	15	46.4 Å²	46.4	8%	0.079	22%	0.215	C	C	.	.	I	π-helix	trans	-64.5	-44.8	175.6	-155.3	119.4	0	0	0	112.1	L13 L14 F15 F21 L22 I56 L59	L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.16Å; L13-L17 PolarHBondContact O-N 2.99Å; L14-L17 WeakPolarHBondContact O-CB 3.15Å; L14-L17 PolarHBondContact O-N 2.89Å; F15-L17 PolarHBondContact O-N 3.1Å; L17-F21 HydrophobicContact CG-CB 4.44Å; L17-F21 PolarHBondContact O-N 3.14Å; L17-L22 HydrophobicContact CD2-CD1 3.85Å; L17-L22 HydrophobicContact CD2-CD2 4.35Å; L17-L22 HydrophobicContact CD2-CG 3.85Å; L17-L22 HydrophobicContact CG-CG 4.42Å; L17-L22 WeakPolarHBondContact O-CB 3.04Å; L17-L22 WeakPolarHBondContact O-CG 3.44Å; L17-L22 PolarHBondContact O-N 3.07Å; L17-I56 HydrophobicContact CD1-CG1 4.33Å; L17-I56 HydrophobicContact CD1-CG2 3.97Å; L17-L59 HydrophobicContact CD2-CB 4.03Å; L17-L59 HydrophobicContact CD2-CD1 3.66Å; L17-L59 HydrophobicContact CD2-CG 4.49Å
18	Y	91.9	Very high	90.8	Very high	123 Å²	123	52.3 Å²	52.3	48%	0.482	24%	0.236	S	C	.	.	I	π-helix	trans	-72.6	-40.7	180	-80.3	-65.5	0	0	0	114.1	L14 F15 L22 P23 L59	L14-Y18 HydrophobicContact CB-CD2 4.43Å; L14-Y18 HydrophobicContact CB-CE2 4.46Å; L14-Y18 HydrophobicContact CD2-CE2 4.42Å; L14-Y18 WeakPolarHBondContact O-CD2 3.3Å; L14-Y18 PolarHBondContact O-N 3.02Å; F15-Y18 PolarHBondContact O-N 3.28Å; Y18-L22 HydrophobicContact CD1-CD1 3.7Å; Y18-L22 HydrophobicContact CE1-CD1 3.93Å; Y18-L22 HydrophobicContact CG-CD1 4.49Å; Y18-P23 WeakPolarHBondContact O-CD 3.32Å; Y18-P23 WeakPolarHBondContact O-CG 3.1Å; Y18-L59 HydrophobicContact CE2-CD1 4.38Å; Y18-L59 VanDerWaalsContact OH-CD2 3.3Å; Y18-L59 WeakPolarHBondContact OH-CD2 3.35Å
19	Y	94	Very high	91.6	Very high	96 Å²	96	56.4 Å²	56.4	38%	0.376	25%	0.252	S	S	.	.	I	π-helix	trans	-90.2	-24.8	-173.3	-76.4	-83.7	0	0	0	113.7	F15 F128	F15-Y19 AromaticContact CD1-CD2 3.8Å; F15-Y19 HydrophobicContact CD1-CD2 3.8Å; F15-Y19 AromaticContact CD1-CE2 3.44Å; F15-Y19 HydrophobicContact CD1-CE2 3.44Å; F15-Y19 VanDerWaalsContact CD1-CE2 3.44Å; F15-Y19 HydrophobicContact CE1-CD2 4.48Å; F15-Y19 AromaticContact CE1-CE2 3.68Å; F15-Y19 HydrophobicContact CE1-CE2 3.68Å; F15-Y19 HydrophobicContact CG-CE2 4.47Å; F15-Y19 WeakPolarHBondContact O-CB 3.42Å; F15-Y19 VanDerWaalsContact O-CD2 3.32Å; F15-Y19 WeakPolarHBondContact O-CD2 3.36Å; F15-Y19 PolarHBondContact O-N 3.4Å; Y19-F128 HydrophobicContact CD1-CD1 4.43Å; Y19-F128 HydrophobicContact CD1-CE1 4.09Å; Y19-F128 HydrophobicContact CD1-CZ 4.5Å; Y19-F128 HydrophobicContact CE1-CE1 4.17Å
20	I	95.5	Very high	92.4	Very high	5 Å²	5	55 Å²	55	3%	0.026	25%	0.246	C	C	.	.	I	π-helix	trans	-115.6	-62.8	-176.4	-54.6	-57.8	0	0	0	110.6	I16 I24 I111 I114 I115 L125	I16-I20 HydrophobicContact CG1-CB 4.12Å; I16-I20 HydrophobicContact CG1-CG1 3.92Å; I16-I20 WeakPolarHBondContact O-CA 3.35Å; I16-I20 VanDerWaalsContact O-CB 3.28Å; I16-I20 WeakPolarHBondContact O-CB 3.34Å; I16-I20 PolarHBondContact O-N 2.93Å; I20-I24 HydrophobicContact CG2-CD1 3.78Å; I20-I24 WeakPolarHBondContact O-CB 3.32Å; I20-I24 VanDerWaalsContact O-CD1 3.29Å; I20-I24 WeakPolarHBondContact O-CD1 3.44Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 3Å; I20-I111 HydrophobicContact CD1-CG2 4.04Å; I20-I111 HydrophobicContact CG1-CG1 4.42Å; I20-I111 HydrophobicContact CG1-CG2 4.41Å; I20-I114 HydrophobicContact CD1-CB 4.07Å; I20-I114 HydrophobicContact CD1-CG2 3.82Å; I20-I114 HydrophobicContact CG1-CD1 4.46Å; I20-I114 HydrophobicContact CG1-CG2 4.26Å; I20-I114 HydrophobicContact CG2-CG2 3.8Å; I20-I115 HydrophobicContact CD1-CD1 4.21Å; I20-I115 HydrophobicContact CD1-CG1 3.68Å; I20-L125 HydrophobicContact CD1-CD2 4.38Å
21	F	94.1	Very high	93	Very high	103 Å²	103	61.1 Å²	61.1	45%	0.452	28%	0.278	S	S	.	.	I	π-helix	trans	-71.5	-50.2	-166.3	-68.6	-68.8	0	0	0	113.1	I16 L17 I24 I25	I16-F21 HydrophobicContact CD1-CE2 4.1Å; I16-F21 HydrophobicContact CG1-CD2 4.24Å; I16-F21 HydrophobicContact CG1-CE2 3.88Å; I16-F21 HydrophobicContact CG2-CD2 4.35Å; I16-F21 HydrophobicContact CG2-CE2 4.09Å; I16-F21 PolarHBondContact O-N 2.96Å; L17-F21 HydrophobicContact CG-CB 4.44Å; L17-F21 PolarHBondContact O-N 3.14Å; F21-I24 PolarHBondContact O-N 3.43Å; F21-I25 HydrophobicContact CB-CD1 4.21Å; F21-I25 WeakPolarHBondContact O-CB 3.28Å; F21-I25 WeakPolarHBondContact O-CD1 3.29Å; F21-I25 WeakPolarHBondContact O-CG1 3.48Å; F21-I25 PolarHBondContact O-N 3.24Å
22	L	93	Very high	93.4	Very high	17 Å²	17	65.1 Å²	65.1	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-49.1	-178.2	-76	175.1	0	0	0	112.3	L17 Y18 I24 I25 Y26 L63	L17-L22 HydrophobicContact CD2-CD1 3.85Å; L17-L22 HydrophobicContact CD2-CD2 4.35Å; L17-L22 HydrophobicContact CD2-CG 3.85Å; L17-L22 HydrophobicContact CG-CG 4.42Å; L17-L22 WeakPolarHBondContact O-CB 3.04Å; L17-L22 WeakPolarHBondContact O-CG 3.44Å; L17-L22 PolarHBondContact O-N 3.07Å; Y18-L22 HydrophobicContact CD1-CD1 3.7Å; Y18-L22 HydrophobicContact CE1-CD1 3.93Å; Y18-L22 HydrophobicContact CG-CD1 4.49Å; L22-I24 VanDerWaalsContact C-N 3.31Å; L22-I24 PolarHBondContact O-N 3.03Å; L22-I25 PolarHBondContact O-N 3.07Å; L22-I25 VanDerWaalsContact O-N 3.17Å; L22-Y26 HydrophobicContact CB-CD2 4.48Å; L22-Y26 HydrophobicContact CB-CE2 4.46Å; L22-Y26 HydrophobicContact CD2-CE2 4.45Å; L22-Y26 WeakPolarHBondContact O-CD2 3.41Å; L22-Y26 PolarHBondContact O-N 3.36Å; L22-L63 HydrophobicContact CD2-CD1 4.34Å; L22-L63 HydrophobicContact CD2-CD2 4.04Å; L22-L63 HydrophobicContact CD2-CG 4.43Å
23	P	94.2	Very high	93.6	Very high	25 Å²	25	64.9 Å²	64.9	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-56.9	-44	176.5	-26.2	34.9	0	0	0	112.8	Y18 Y26 E27 C124	Y18-P23 WeakPolarHBondContact O-CD 3.32Å; Y18-P23 WeakPolarHBondContact O-CG 3.1Å; P23-Y26 PolarHBondContact O-N 3.4Å; P23-E27 WeakPolarHBondContact O-CB 3.14Å; P23-E27 PolarHBondContact O-N 2.94Å; P23-C124 VanDerWaalsContact C-SG 3.55Å; P23-C124 HydrophobicContact CB-CB 3.84Å
24	I	95.5	Very high	93.7	Very high	30 Å²	30	68 Å²	68	15%	0.154	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-42.1	177.8	-67.1	170.3	0	0	0	111	I20 F21 L22 Y26 E27 Y28 W122 L125	I20-I24 HydrophobicContact CG2-CD1 3.78Å; I20-I24 WeakPolarHBondContact O-CB 3.32Å; I20-I24 VanDerWaalsContact O-CD1 3.29Å; I20-I24 WeakPolarHBondContact O-CD1 3.44Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 3Å; F21-I24 PolarHBondContact O-N 3.43Å; L22-I24 VanDerWaalsContact C-N 3.31Å; L22-I24 PolarHBondContact O-N 3.03Å; I24-Y26 VanDerWaalsContact C-N 3.34Å; I24-Y26 PolarHBondContact O-N 3.28Å; I24-E27 PolarHBondContact O-N 3.35Å; I24-Y28 WeakPolarHBondContact O-CB 3.12Å; I24-Y28 PolarHBondContact O-N 3.1Å; I24-W122 HydrophobicContact CG1-CD2 4.17Å; I24-W122 HydrophobicContact CG1-CG 4.09Å; I24-W122 HydrophobicContact CG2-CD2 3.98Å; I24-W122 HydrophobicContact CG2-CE3 4.05Å; I24-W122 HydrophobicContact CG2-CH2 3.77Å; I24-W122 HydrophobicContact CG2-CZ2 3.69Å; I24-W122 HydrophobicContact CG2-CZ3 3.95Å; I24-L125 HydrophobicContact CD1-CD1 4.09Å; I24-L125 HydrophobicContact CG1-CD1 4.34Å; I24-L125 HydrophobicContact CG1-CD2 4.37Å; I24-L125 HydrophobicContact CG1-CG 4.41Å
25	I	94.8	Very high	93.7	Very high	31 Å²	31	69.2 Å²	69.2	16%	0.159	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-40.5	179.1	-69.4	162.1	0	0	0	110.6	F21 L22 Y28 E29 P30 I33 L60 L63	F21-I25 HydrophobicContact CB-CD1 4.21Å; F21-I25 WeakPolarHBondContact O-CB 3.28Å; F21-I25 WeakPolarHBondContact O-CD1 3.29Å; F21-I25 WeakPolarHBondContact O-CG1 3.48Å; F21-I25 PolarHBondContact O-N 3.24Å; L22-I25 PolarHBondContact O-N 3.07Å; L22-I25 VanDerWaalsContact O-N 3.17Å; I25-Y28 PolarHBondContact O-N 2.89Å; I25-E29 PolarHBondContact O-N 3.05Å; I25-P30 HydrophobicContact CG2-CG 3.9Å; I25-P30 VanDerWaalsContact O-CD 3.24Å; I25-P30 WeakPolarHBondContact O-CD 3.39Å; I25-I33 HydrophobicContact CG2-CD1 4.41Å; I25-L60 HydrophobicContact CD1-CD2 4.11Å; I25-L63 HydrophobicContact CG2-CD1 3.57Å; I25-L63 HydrophobicContact CG2-CD2 4.26Å
26	Y	93.8	Very high	93.3	Very high	137 Å²	137	75.4 Å²	75.4	54%	0.537	34%	0.336	S	S	.	.	H	α-helix	trans	-66.5	-37.5	174.3	-80	-67	0	0	0	112.4	L22 P23 I24 E29 L63	L22-Y26 HydrophobicContact CB-CD2 4.48Å; L22-Y26 HydrophobicContact CB-CE2 4.46Å; L22-Y26 HydrophobicContact CD2-CE2 4.45Å; L22-Y26 WeakPolarHBondContact O-CD2 3.41Å; L22-Y26 PolarHBondContact O-N 3.36Å; P23-Y26 PolarHBondContact O-N 3.4Å; I24-Y26 VanDerWaalsContact C-N 3.34Å; I24-Y26 PolarHBondContact O-N 3.28Å; Y26-E29 VanDerWaalsContact O-CG 3.28Å; Y26-E29 WeakPolarHBondContact O-CG 3.47Å; Y26-L63 HydrophobicContact CD1-CD2 4.18Å; Y26-L63 HydrophobicContact CD2-CD2 4.23Å; Y26-L63 HydrophobicContact CE1-CD2 3.61Å; Y26-L63 HydrophobicContact CE2-CD2 3.67Å; Y26-L63 HydrophobicContact CG-CD2 4.46Å
27	E	95.5	Very high	92.4	Very high	69 Å²	69	75 Å²	75	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-72.2	-35.4	175.5	-175.4	172.6	169.1	0	0	112.5	P23 I24 W122 K123 C124	P23-E27 WeakPolarHBondContact O-CB 3.14Å; P23-E27 PolarHBondContact O-N 2.94Å; I24-E27 PolarHBondContact O-N 3.35Å; E27-W122 HydrophobicContact CB-CE3 4.34Å; E27-W122 HydrophobicContact CG-CE3 4.1Å; E27-W122 HydrophobicContact CG-CZ3 4.44Å; E27-K123 PolarHBondContact OE1-N 3.4Å; E27-K123 PolarHBondContact OE2-N 3.18Å; E27-C124 WeakPolarHBondContact OE2-CB 3.17Å; E27-C124 PolarHBondContact OE2-N 3.31Å; E27-C124 PolarHBondContact OE2-SG 3.13Å
28	Y	96	Very high	91	Very high	159 Å²	159	76 Å²	76	62%	0.624	35%	0.347	S	S	*	.	H	α-helix	trans	-80.4	-29.5	-178	-178.8	-117.6	0	0	0	113.5	I24 I25 P30 W122	I24-Y28 WeakPolarHBondContact O-CB 3.12Å; I24-Y28 PolarHBondContact O-N 3.1Å; I25-Y28 PolarHBondContact O-N 2.89Å; Y28-P30 HydrophobicContact CD1-CB 3.85Å; Y28-P30 HydrophobicContact CD1-CG 4.17Å; Y28-P30 HydrophobicContact CE1-CB 3.87Å; Y28-W122 HydrophobicContact CD2-CH2 4.12Å; Y28-W122 HydrophobicContact CG-CH2 4.33Å
29	E	95.3	Very high	89.1	Confident	142 Å²	142	72.7 Å²	72.7	66%	0.664	34%	0.342	S	S	*	.			trans	50.7	58.7	-178.3	-60.8	-166.7	142.3	0	0	114.7	I25 Y26	I25-E29 PolarHBondContact O-N 3.05Å; Y26-E29 VanDerWaalsContact O-CG 3.28Å; Y26-E29 WeakPolarHBondContact O-CG 3.47Å
30	P	95.4	Very high	86.9	Confident	16 Å²	16	74 Å²	74	10%	0.104	36%	0.356	C	S	.	.			trans	-64	147.5	-179.4	28.2	-33.5	0	0	0	112.2	I25 Y28 I33 K65	I25-P30 HydrophobicContact CG2-CG 3.9Å; I25-P30 VanDerWaalsContact O-CD 3.24Å; I25-P30 WeakPolarHBondContact O-CD 3.39Å; Y28-P30 HydrophobicContact CD1-CB 3.85Å; Y28-P30 HydrophobicContact CD1-CG 4.17Å; Y28-P30 HydrophobicContact CE1-CB 3.87Å; P30-I33 HydrophobicContact CG-CG1 4.1Å; P30-K65 WeakPolarHBondContact O-CD 3.38Å; P30-K65 WeakPolarHBondContact O-CE 3.31Å; P30-K65 WeakPolarHBondContact O-CG 3.3Å; P30-K65 PolarHBondContact O-NZ 2.92Å; P30-K65 VanDerWaalsContact O-NZ 3.07Å
31	D	95.7	Very high	84.2	Confident	136 Å²	136	83.8 Å²	83.8	73%	0.727	39%	0.394	S	S	*	.	S	Bend	trans	-82.6	-18.7	170.7	-67.1	-40.9	0	0	0	113.2	K65 P66	D31-K65 IonicContact OD1-NZ 3.9Å; D31-P66 WeakPolarHBondContact O-CD 3.22Å
32	L	94.3	Very high	81.6	Confident	98 Å²	98	87.9 Å²	87.9	51%	0.513	42%	0.415	S	S	.	.			trans	-148	135.2	179	177.3	68.3	0	0	0	109.5	P66 L68	L32-P66 HydrophobicContact CD1-CB 3.89Å; L32-L68 HydrophobicContact CD1-CB 4.24Å
33	I	92.8	Very high	79.2	Confident	18 Å²	18	92.1 Å²	92.1	9%	0.092	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118	172.8	-56.3	178.4	0	0	0	108.1	I25 P30 L60 L63 K65 P66 V67 L68	I25-I33 HydrophobicContact CG2-CD1 4.41Å; P30-I33 HydrophobicContact CG-CG1 4.1Å; I33-L60 HydrophobicContact CD1-CD2 4.19Å; I33-L60 HydrophobicContact CG2-CD1 4.28Å; I33-L63 HydrophobicContact CD1-CD1 3.44Å; I33-L63 VanDerWaalsContact CD1-CD1 3.44Å; I33-K65 HydrophobicContact CD1-CB 4.18Å; I33-K65 HydrophobicContact CG1-CB 4.34Å; I33-P66 PolarHBondContact N-O 3.3Å; I33-V67 HydrophobicContact CB-CG1 4.46Å; I33-V67 HydrophobicContact CB-CG2 4.25Å; I33-V67 HydrophobicContact CD1-CG2 4.48Å; I33-V67 HydrophobicContact CG2-CG1 4.45Å; I33-V67 CarbonylContact O-C 3.58Å; I33-V67 WeakPolarHBondContact O-CA 3.16Å; I33-L68 PolarHBondContact O-N 2.99Å
34	Y	91.7	Very high	76.7	Confident	114 Å²	114	99.6 Å²	99.6	45%	0.447	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.8	173.5	-179.2	-112.8	0	0	0	110.1	W36 L68 N70	Y34-W36 HydrophobicContact CE1-CB 3.97Å; Y34-W36 HydrophobicContact CE1-CE3 4.2Å; Y34-L68 CarbonylContact C-O 3.56Å; Y34-L68 WeakPolarHBondContact CA-O 3.45Å; Y34-L68 HydrophobicContact CD2-CB 4.06Å; Y34-L68 HydrophobicContact CD2-CD2 3.72Å; Y34-L68 HydrophobicContact CD2-CG 3.83Å; Y34-L68 HydrophobicContact CE2-CD2 3.95Å; Y34-L68 HydrophobicContact CE2-CG 4.11Å; Y34-N70 HydrophobicContact CE2-CB 3.95Å; Y34-N70 VanDerWaalsContact OH-CB 3.24Å; Y34-N70 WeakPolarHBondContact OH-CB 3.44Å; Y34-N70 PolarHBondContact OH-ND2 3.14Å
35	L	87.3	Confident	74.3	Confident	44 Å²	44	104.5 Å²	104.5	23%	0.23	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	110.8	173.8	-84.5	176.8	0	0	0	109.8	I56 I57 L60 V67 L68 I69 N70	L35-I56 HydrophobicContact CD1-CG2 4.25Å; L35-I57 HydrophobicContact CD1-CG1 4.32Å; L35-L60 HydrophobicContact CD1-CD1 3.41Å; L35-L60 VanDerWaalsContact CD1-CD1 3.41Å; L35-L60 HydrophobicContact CD2-CD1 4.23Å; L35-L60 HydrophobicContact CG-CD1 3.95Å; L35-V67 HydrophobicContact CD1-CG1 3.94Å; L35-V67 HydrophobicContact CG-CG1 4.32Å; L35-L68 PolarHBondContact N-O 2.87Å; L35-I69 HydrophobicContact CB-CG1 4.26Å; L35-I69 HydrophobicContact CB-CG2 4.4Å; L35-I69 HydrophobicContact CD1-CG1 4.4Å; L35-I69 CarbonylContact O-C 3.53Å; L35-I69 WeakPolarHBondContact O-CA 3.3Å; L35-N70 PolarHBondContact O-N 2.8Å
36	W	83.8	Confident	72.2	Confident	182 Å²	182	108.6 Å²	108.6	69%	0.689	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	106.4	168.9	-171.9	-16.9	0	0	0	109.6	Y34 G38	Y34-W36 HydrophobicContact CE1-CB 3.97Å; Y34-W36 HydrophobicContact CE1-CE3 4.2Å; W36-G38 VanDerWaalsContact CD1-CA 3.48Å; W36-G38 VanDerWaalsContact NE1-CA 3.34Å; W36-G38 PolarHBondContact O-N 3.19Å
37	N	74.8	Confident	70.5	Confident	14 Å²	14	105 Å²	105	8%	0.075	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	82	164.7	-176.3	44.8	0	0	0	109.9	L53 N70 S72 E76	N37-L53 HydrophobicContact CB-CD1 4.44Å; N37-L53 HydrophobicContact CB-CD2 4.19Å; N37-L53 WeakPolarHBondContact ND2-CD1 3.34Å; N37-N70 CarbonylContact C-O 3.57Å; N37-N70 WeakPolarHBondContact CA-O 3.39Å; N37-N70 PolarHBondContact N-O 3.2Å; N37-S72 PolarHBondContact O-N 3.35Å; N37-S72 PolarHBondContact O-OG 3.19Å; N37-E76 PolarHBondContact ND2-OE2 2.8Å
38	G	61.2	Low	69.1	Low	36 Å²	36	103.8 Å²	103.8	37%	0.371	50%	0.5	S	S	.	.			trans	-97.1	115	179.8	0	0	0	0	0	109.6	W36 N40	W36-G38 VanDerWaalsContact CD1-CA 3.48Å; W36-G38 VanDerWaalsContact NE1-CA 3.34Å; W36-G38 PolarHBondContact O-N 3.19Å; G38-N40 PolarHBondContact O-N 3.46Å
39	S	52.8	Low	68.1	Low	54 Å²	54	97.9 Å²	97.9	38%	0.378	48%	0.483	S	S	.	.			trans	-63.5	102	162.3	55.3	0	0	0	0	107.9	Y41 S72	S39-Y41 PolarHBondContact O-N 3.42Å; S39-S72 PolarHBondContact N-OG 3.17Å; S39-S72 WeakPolarHBondContact OG-CB 3.31Å; S39-S72 PolarHBondContact OG-OG 3.35Å
40	N	46.6	Very low	67.1	Low	125 Å²	125	92.6 Å²	92.6	67%	0.668	46%	0.461	S	S	*	.			trans	-58.8	112.9	168.3	-99.3	-16.1	0	0	0	106.3	G38 Q42 M43	G38-N40 PolarHBondContact O-N 3.46Å; N40-Q42 PolarHBondContact O-N 2.81Å; N40-M43 PolarHBondContact O-N 3.17Å
41	Y	39.6	Very low	66.2	Low	210 Å²	210	94.9 Å²	94.9	82%	0.824	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-17.7	179.6	-84	-88.7	0	0	0	113.8	S39	S39-Y41 PolarHBondContact O-N 3.42Å
42	Q	39	Very low	65.4	Low	189 Å²	189	88.7 Å²	88.7	88%	0.883	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-20.3	177.3	-66.6	-173.4	-27.4	0	0	114.5	N40	N40-Q42 PolarHBondContact O-N 2.81Å
43	M	43.9	Very low	64.8	Low	105 Å²	105	84.5 Å²	84.5	52%	0.517	42%	0.417	S	S	.	.			trans	-120.9	70.1	178.2	-60	-152.9	114	0	0	109.7	N40 N45 E46	N40-M43 PolarHBondContact O-N 3.17Å; M43-N45 PolarHBondContact O-N 2.95Å; M43-E46 HydrophobicContact CB-CB 4.27Å; M43-E46 HydrophobicContact CB-CG 4.35Å; M43-E46 PolarHBondContact O-N 3.38Å; M43-E46 VanDerWaalsContact SD-OE2 3.37Å
44	K	40.9	Very low	64.4	Low	183 Å²	183	83.6 Å²	83.6	80%	0.796	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-8.9	178.5	-78.9	-178.8	173.6	179.6	0	115.1
45	N	44.8	Very low	64	Low	133 Å²	133	79.5 Å²	79.5	71%	0.711	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	1.6	-175.5	-64.6	-3.4	0	0	0	114.1	M43	M43-N45 PolarHBondContact O-N 2.95Å
46	E	51.8	Low	63.9	Low	117 Å²	117	78.2 Å²	78.2	55%	0.547	39%	0.39	S	S	.	.			trans	-115.9	31	-176.1	-63.5	-173.8	179.9	0	0	112.6	M43 I48	M43-E46 HydrophobicContact CB-CB 4.27Å; M43-E46 HydrophobicContact CB-CG 4.35Å; M43-E46 PolarHBondContact O-N 3.38Å; M43-E46 VanDerWaalsContact SD-OE2 3.37Å; E46-I48 PolarHBondContact O-N 3.24Å
47	S	57.8	Low	64.1	Low	61 Å²	61	69.5 Å²	69.5	43%	0.427	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-66.2	120	169.4	55.4	0	0	0	0	108.9	S49	S47-S49 PolarHBondContact O-N 3.08Å
48	I	66.5	Low	64.7	Low	43 Å²	43	74 Å²	74	22%	0.221	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-56.2	126.5	172.5	-60.6	173	0	0	0	107.8	E46 I52 L53	E46-I48 PolarHBondContact O-N 3.24Å; I48-I52 HydrophobicContact CG2-CB 3.55Å; I48-I52 HydrophobicContact CG2-CD1 4.49Å; I48-I52 HydrophobicContact CG2-CG2 3.44Å; I48-I52 VanDerWaalsContact CG2-CG2 3.44Å; I48-L53 HydrophobicContact CB-CG 4.37Å; I48-L53 HydrophobicContact CG2-CD2 4.36Å; I48-L53 HydrophobicContact CG2-CG 3.83Å
49	S	72.9	Confident	65.8	Low	36 Å²	36	74 Å²	74	25%	0.252	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-62.3	151.3	178.9	71.4	0	0	0	0	110.3	S47 D51 I52 L53	S47-S49 PolarHBondContact O-N 3.08Å; S49-D51 PolarHBondContact O-N 3.44Å; S49-D51 VanDerWaalsContact O-N 3.11Å; S49-I52 PolarHBondContact O-N 3.46Å; S49-I52 VanDerWaalsContact O-N 3.08Å; S49-I52 WeakPolarHBondContact OG-CD1 3.36Å; S49-I52 WeakPolarHBondContact OG-CG1 3.5Å; S49-I52 PolarHBondContact OG-N 3.46Å; S49-L53 PolarHBondContact O-N 2.94Å; S49-L53 VanDerWaalsContact O-N 3.08Å
50	S	75.8	Confident	67.5	Low	31 Å²	31	71.6 Å²	71.6	22%	0.217	35%	0.347	C	S	.	.	H	α-helix	trans	-55.8	-30.8	177.9	57.2	0	0	0	0	112.7	L53 A54 S79	S50-L53 PolarHBondContact O-N 3.33Å; S50-A54 WeakPolarHBondContact O-CB 3.44Å; S50-A54 PolarHBondContact O-N 3.44Å; S50-S79 VanDerWaalsContact CB-OG 3.3Å; S50-S79 WeakPolarHBondContact CB-OG 3.42Å
51	D	76.9	Confident	69.4	Low	64 Å²	64	67.9 Å²	67.9	34%	0.342	33%	0.328	S	S	.	.	H	α-helix	trans	-72.6	-38	178.9	-65.2	-28.6	0	0	0	112.7	S49 A54 R55 S81 I93	S49-D51 PolarHBondContact O-N 3.44Å; S49-D51 VanDerWaalsContact O-N 3.11Å; D51-A54 PolarHBondContact O-N 3.29Å; D51-R55 WeakPolarHBondContact O-CG 3.5Å; D51-R55 PolarHBondContact O-N 3.22Å; D51-R55 VanDerWaalsContact O-N 3.1Å; D51-S81 PolarHBondContact OD1-OG 2.64Å; D51-I93 HydrophobicContact CB-CD1 4.04Å; D51-I93 WeakPolarHBondContact OD1-CD1 3.31Å
52	I	78.3	Confident	71.7	Confident	6 Å²	6	60.9 Å²	60.9	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-43.9	173.4	-65.5	168.7	0	0	0	109.7	M9 M10 L13 I48 S49 A54 R55 I56	M9-I52 HydrophobicContact CE-CD1 3.42Å; M9-I52 VanDerWaalsContact CE-CD1 3.42Å; M10-I52 HydrophobicContact CB-CD1 4.04Å; M10-I52 HydrophobicContact CB-CG1 3.93Å; M10-I52 HydrophobicContact CG-CG1 4.05Å; M10-I52 HydrophobicContact SD-CG1 4.44Å; L13-I52 HydrophobicContact CD1-CG2 3.67Å; I48-I52 HydrophobicContact CG2-CB 3.55Å; I48-I52 HydrophobicContact CG2-CD1 4.49Å; I48-I52 HydrophobicContact CG2-CG2 3.44Å; I48-I52 VanDerWaalsContact CG2-CG2 3.44Å; S49-I52 PolarHBondContact O-N 3.46Å; S49-I52 VanDerWaalsContact O-N 3.08Å; S49-I52 WeakPolarHBondContact OG-CD1 3.36Å; S49-I52 WeakPolarHBondContact OG-CG1 3.5Å; S49-I52 PolarHBondContact OG-N 3.46Å; I52-A54 VanDerWaalsContact C-N 3.34Å; I52-A54 PolarHBondContact O-N 3.08Å; I52-R55 PolarHBondContact O-N 3.43Å; I52-I56 HydrophobicContact CG2-CD1 4.03Å; I52-I56 WeakPolarHBondContact O-CG1 3.42Å; I52-I56 PolarHBondContact O-N 2.97Å
53	L	81.7	Confident	74	Confident	9 Å²	9	53 Å²	53	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-45.2	174.6	-78.2	165.7	0	0	0	111.8	N37 I48 S49 S50 R55 I56 I57 F82	N37-L53 HydrophobicContact CB-CD1 4.44Å; N37-L53 HydrophobicContact CB-CD2 4.19Å; N37-L53 WeakPolarHBondContact ND2-CD1 3.34Å; I48-L53 HydrophobicContact CB-CG 4.37Å; I48-L53 HydrophobicContact CG2-CD2 4.36Å; I48-L53 HydrophobicContact CG2-CG 3.83Å; S49-L53 PolarHBondContact O-N 2.94Å; S49-L53 VanDerWaalsContact O-N 3.08Å; S50-L53 PolarHBondContact O-N 3.33Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 3.35Å; L53-I56 PolarHBondContact O-N 3.41Å; L53-I57 VanDerWaalsContact O-CD1 3.32Å; L53-I57 WeakPolarHBondContact O-CD1 3.43Å; L53-I57 VanDerWaalsContact O-CG1 3.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.36Å; L53-I57 PolarHBondContact O-N 2.9Å; L53-F82 HydrophobicContact CB-CD2 3.98Å; L53-F82 HydrophobicContact CB-CE2 4.1Å
54	A	83.7	Confident	76.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-55.9	-45.2	177.4	0	0	0	0	0	111.3	S50 D51 I52 I57 Y58 S85 I91	S50-A54 WeakPolarHBondContact O-CB 3.44Å; S50-A54 PolarHBondContact O-N 3.44Å; D51-A54 PolarHBondContact O-N 3.29Å; I52-A54 VanDerWaalsContact C-N 3.34Å; I52-A54 PolarHBondContact O-N 3.08Å; A54-I57 PolarHBondContact O-N 3.26Å; A54-Y58 WeakPolarHBondContact O-CB 3.24Å; A54-Y58 PolarHBondContact O-N 3.33Å; A54-S85 WeakPolarHBondContact CA-OG 3.29Å; A54-S85 WeakPolarHBondContact O-CB 3.28Å; A54-S85 PolarHBondContact O-OG 2.94Å; A54-I91 VanDerWaalsContact C-CD1 3.49Å; A54-I91 HydrophobicContact CB-CD1 4.27Å; A54-I91 VanDerWaalsContact O-CD1 3.31Å; A54-I91 WeakPolarHBondContact O-CD1 3.28Å
55	R	83.3	Confident	78.5	Confident	27 Å²	27	45.6 Å²	45.6	10%	0.102	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-43.9	177	-69.3	176	-172.4	-86.1	12.2	112.8	M10 D51 I52 L53 I57 Y58 L59 I91 I93 G94	M10-R55 WeakPolarHBondContact SD-CD 3.37Å; M10-R55 PolarHBondContact SD-NE 2.94Å; D51-R55 WeakPolarHBondContact O-CG 3.5Å; D51-R55 PolarHBondContact O-N 3.22Å; D51-R55 VanDerWaalsContact O-N 3.1Å; I52-R55 PolarHBondContact O-N 3.43Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 3.35Å; R55-I57 VanDerWaalsContact C-N 3.33Å; R55-I57 PolarHBondContact O-N 3.24Å; R55-Y58 PolarHBondContact O-N 3.07Å; R55-L59 WeakPolarHBondContact O-CG 3.44Å; R55-L59 PolarHBondContact O-N 2.95Å; R55-L59 VanDerWaalsContact O-N 3.08Å; R55-I91 HydrophobicContact CB-CD1 4.38Å; R55-I91 HydrophobicContact CG-CD1 4.07Å; R55-I93 PolarHBondContact NH1-O 2.75Å; R55-I93 PolarHBondContact NH2-O 3.17Å; R55-G94 PolarHBondContact NH2-O 2.76Å
56	I	85.9	Confident	80.7	Confident	17 Å²	17	43.1 Å²	43.1	9%	0.087	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-47.6	176.4	-68	168.8	0	0	0	109.9	L17 L35 I52 L53 Y58 L59 L60	L17-I56 HydrophobicContact CD1-CG1 4.33Å; L17-I56 HydrophobicContact CD1-CG2 3.97Å; L35-I56 HydrophobicContact CD1-CG2 4.25Å; I52-I56 HydrophobicContact CG2-CD1 4.03Å; I52-I56 WeakPolarHBondContact O-CG1 3.42Å; I52-I56 PolarHBondContact O-N 2.97Å; L53-I56 PolarHBondContact O-N 3.41Å; I56-Y58 PolarHBondContact O-N 3.08Å; I56-L59 PolarHBondContact O-N 2.98Å; I56-L60 HydrophobicContact CG2-CD1 3.9Å; I56-L60 HydrophobicContact CG2-CG 4.37Å; I56-L60 VanDerWaalsContact O-CG 3.32Å; I56-L60 WeakPolarHBondContact O-CG 3.32Å; I56-L60 PolarHBondContact O-N 3.07Å
57	I	87.5	Confident	82.5	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-42.9	-179.9	-66.4	157.9	0	0	0	111.2	L35 L53 A54 R55 L59 L60 N61 I69 F82 L86	L35-I57 HydrophobicContact CD1-CG1 4.32Å; L53-I57 VanDerWaalsContact O-CD1 3.32Å; L53-I57 WeakPolarHBondContact O-CD1 3.43Å; L53-I57 VanDerWaalsContact O-CG1 3.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.36Å; L53-I57 PolarHBondContact O-N 2.9Å; A54-I57 PolarHBondContact O-N 3.26Å; R55-I57 VanDerWaalsContact C-N 3.33Å; R55-I57 PolarHBondContact O-N 3.24Å; I57-L59 VanDerWaalsContact C-N 3.29Å; I57-L59 PolarHBondContact O-N 3.44Å; I57-L60 CarbonylContact O-C 3.6Å; I57-L60 PolarHBondContact O-N 3.4Å; I57-L60 VanDerWaalsContact O-N 3.17Å; I57-N61 WeakPolarHBondContact O-CB 2.89Å; I57-N61 VanDerWaalsContact O-CG 3.24Å; I57-N61 PolarHBondContact O-N 3Å; I57-N61 PolarHBondContact O-ND2 2.93Å; I57-I69 HydrophobicContact CD1-CD1 3.31Å; I57-I69 HydrophobicContact CG1-CD1 3.63Å; I57-F82 HydrophobicContact CD1-CD2 3.43Å; I57-F82 VanDerWaalsContact CD1-CD2 3.43Å; I57-F82 HydrophobicContact CD1-CE2 3.11Å; I57-F82 HydrophobicContact CD1-CG 4.3Å; I57-F82 HydrophobicContact CD1-CZ 3.71Å; I57-L86 HydrophobicContact CG2-CD2 4.06Å; I57-L86 HydrophobicContact CG2-CG 4.42Å
58	Y	87.1	Confident	84	Confident	109 Å²	109	40.6 Å²	40.6	43%	0.427	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-40.9	177.4	176.5	-94.4	0	0	0	112.2	A54 R55 I56 N61 I91	A54-Y58 WeakPolarHBondContact O-CB 3.24Å; A54-Y58 PolarHBondContact O-N 3.33Å; R55-Y58 PolarHBondContact O-N 3.07Å; I56-Y58 PolarHBondContact O-N 3.08Å; Y58-N61 PolarHBondContact O-N 2.98Å; Y58-I91 HydrophobicContact CD1-CD1 4.43Å; Y58-I91 HydrophobicContact CD2-CD1 4.36Å; Y58-I91 HydrophobicContact CD2-CG1 4.13Å; Y58-I91 HydrophobicContact CG-CD1 3.82Å; Y58-I91 HydrophobicContact CG-CG1 4.09Å
59	L	85.6	Confident	84.8	Confident	34 Å²	34	40.1 Å²	40.1	18%	0.178	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-43.6	173.9	-68	172.3	0	0	0	111.8	L14 L17 Y18 R55 I56 I57 N61 G62	L14-L59 HydrophobicContact CD2-CD1 3.59Å; L17-L59 HydrophobicContact CD2-CB 4.03Å; L17-L59 HydrophobicContact CD2-CD1 3.66Å; L17-L59 HydrophobicContact CD2-CG 4.49Å; Y18-L59 HydrophobicContact CE2-CD1 4.38Å; Y18-L59 VanDerWaalsContact OH-CD2 3.3Å; Y18-L59 WeakPolarHBondContact OH-CD2 3.35Å; R55-L59 WeakPolarHBondContact O-CG 3.44Å; R55-L59 PolarHBondContact O-N 2.95Å; R55-L59 VanDerWaalsContact O-N 3.08Å; I56-L59 PolarHBondContact O-N 2.98Å; I57-L59 VanDerWaalsContact C-N 3.29Å; I57-L59 PolarHBondContact O-N 3.44Å; L59-N61 VanDerWaalsContact C-N 3.31Å; L59-N61 PolarHBondContact O-N 2.91Å; L59-G62 PolarHBondContact O-N 2.9Å; L59-G62 VanDerWaalsContact O-N 3.1Å
60	L	88.3	Confident	85.3	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-31.6	178.6	-67.2	174.7	0	0	0	112.8	I25 I33 L35 I56 I57 G62 L63 V67	I25-L60 HydrophobicContact CD1-CD2 4.11Å; I33-L60 HydrophobicContact CD1-CD2 4.19Å; I33-L60 HydrophobicContact CG2-CD1 4.28Å; L35-L60 HydrophobicContact CD1-CD1 3.41Å; L35-L60 VanDerWaalsContact CD1-CD1 3.41Å; L35-L60 HydrophobicContact CD2-CD1 4.23Å; L35-L60 HydrophobicContact CG-CD1 3.95Å; I56-L60 HydrophobicContact CG2-CD1 3.9Å; I56-L60 HydrophobicContact CG2-CG 4.37Å; I56-L60 VanDerWaalsContact O-CG 3.32Å; I56-L60 WeakPolarHBondContact O-CG 3.32Å; I56-L60 PolarHBondContact O-N 3.07Å; I57-L60 CarbonylContact O-C 3.6Å; I57-L60 PolarHBondContact O-N 3.4Å; I57-L60 VanDerWaalsContact O-N 3.17Å; L60-G62 PolarHBondContact O-N 3.36Å; L60-L63 HydrophobicContact CB-CD1 4.42Å; L60-L63 HydrophobicContact CD2-CD1 3.68Å; L60-L63 WeakPolarHBondContact O-CB 3.18Å; L60-L63 WeakPolarHBondContact O-CG 3.46Å; L60-L63 PolarHBondContact O-N 3.33Å; L60-V67 HydrophobicContact CB-CG2 4.15Å
61	N	87	Confident	85.1	Confident	48 Å²	48	40.8 Å²	40.8	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-28	173.4	-74.7	-20.3	0	0	0	112.3	I57 Y58 L59 L63 G64 S85	I57-N61 WeakPolarHBondContact O-CB 2.89Å; I57-N61 VanDerWaalsContact O-CG 3.24Å; I57-N61 PolarHBondContact O-N 3Å; I57-N61 PolarHBondContact O-ND2 2.93Å; Y58-N61 PolarHBondContact O-N 2.98Å; L59-N61 VanDerWaalsContact C-N 3.31Å; L59-N61 PolarHBondContact O-N 2.91Å; N61-L63 PolarHBondContact O-N 3Å; N61-L63 VanDerWaalsContact O-N 3.14Å; N61-G64 PolarHBondContact O-N 2.99Å; N61-S85 PolarHBondContact ND2-O 3.17Å
62	G	86.8	Confident	84.7	Confident	62 Å²	62	40.2 Å²	40.2	64%	0.639	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18	172.2	0	0	0	0	0	113.7	L59 L60 G64	L59-G62 PolarHBondContact O-N 2.9Å; L59-G62 VanDerWaalsContact O-N 3.1Å; L60-G62 PolarHBondContact O-N 3.36Å; G62-G64 VanDerWaalsContact C-N 3.32Å
63	L	87.9	Confident	84.3	Confident	24 Å²	24	41.8 Å²	41.8	13%	0.126	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-16	175.7	-56.4	169.3	0	0	0	113	L22 I25 Y26 I33 L60 N61 K65	L22-L63 HydrophobicContact CD2-CD1 4.34Å; L22-L63 HydrophobicContact CD2-CD2 4.04Å; L22-L63 HydrophobicContact CD2-CG 4.43Å; I25-L63 HydrophobicContact CG2-CD1 3.57Å; I25-L63 HydrophobicContact CG2-CD2 4.26Å; Y26-L63 HydrophobicContact CD1-CD2 4.18Å; Y26-L63 HydrophobicContact CD2-CD2 4.23Å; Y26-L63 HydrophobicContact CE1-CD2 3.61Å; Y26-L63 HydrophobicContact CE2-CD2 3.67Å; Y26-L63 HydrophobicContact CG-CD2 4.46Å; I33-L63 HydrophobicContact CD1-CD1 3.44Å; I33-L63 VanDerWaalsContact CD1-CD1 3.44Å; L60-L63 HydrophobicContact CB-CD1 4.42Å; L60-L63 HydrophobicContact CD2-CD1 3.68Å; L60-L63 WeakPolarHBondContact O-CB 3.18Å; L60-L63 WeakPolarHBondContact O-CG 3.46Å; L60-L63 PolarHBondContact O-N 3.33Å; N61-L63 PolarHBondContact O-N 3Å; N61-L63 VanDerWaalsContact O-N 3.14Å; L63-K65 HydrophobicContact CB-CG 4.25Å; L63-K65 PolarHBondContact O-N 3.27Å
64	G	89.1	Confident	83.7	Confident	69 Å²	69	47.9 Å²	47.9	71%	0.711	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	17	-176.1	0	0	0	0	0	114.2	N61 G62	N61-G64 PolarHBondContact O-N 2.99Å; G62-G64 VanDerWaalsContact C-N 3.32Å
65	K	89.7	Confident	82.9	Confident	64 Å²	64	53.8 Å²	53.8	28%	0.278	32%	0.32	S	S	.	.			trans	-101.5	146.1	179	-59.9	-60.7	-168.9	152.9	0	110.9	P30 D31 I33 L63 V67	P30-K65 WeakPolarHBondContact O-CD 3.38Å; P30-K65 WeakPolarHBondContact O-CE 3.31Å; P30-K65 WeakPolarHBondContact O-CG 3.3Å; P30-K65 PolarHBondContact O-NZ 2.92Å; P30-K65 VanDerWaalsContact O-NZ 3.07Å; D31-K65 IonicContact OD1-NZ 3.9Å; I33-K65 HydrophobicContact CD1-CB 4.18Å; I33-K65 HydrophobicContact CG1-CB 4.34Å; L63-K65 HydrophobicContact CB-CG 4.25Å; L63-K65 PolarHBondContact O-N 3.27Å; K65-V67 PolarHBondContact O-N 2.9Å
66	P	91.5	Very high	82.1	Confident	81 Å²	81	53.9 Å²	53.9	53%	0.526	32%	0.322	S	S	.	.			trans	-57.5	135.2	170.7	-21	31	0	0	0	111.5	D31 L32 I33	D31-P66 WeakPolarHBondContact O-CD 3.22Å; L32-P66 HydrophobicContact CD1-CB 3.89Å; I33-P66 PolarHBondContact N-O 3.3Å
67	V	89.4	Confident	81.4	Confident	30 Å²	30	55.7 Å²	55.7	18%	0.182	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.1	176.8	-173	0	0	0	0	109.2	I33 L35 L60 K65 I69	I33-V67 HydrophobicContact CB-CG1 4.46Å; I33-V67 HydrophobicContact CB-CG2 4.25Å; I33-V67 HydrophobicContact CD1-CG2 4.48Å; I33-V67 HydrophobicContact CG2-CG1 4.45Å; I33-V67 CarbonylContact O-C 3.58Å; I33-V67 WeakPolarHBondContact O-CA 3.16Å; L35-V67 HydrophobicContact CD1-CG1 3.94Å; L35-V67 HydrophobicContact CG-CG1 4.32Å; L60-V67 HydrophobicContact CB-CG2 4.15Å; K65-V67 PolarHBondContact O-N 2.9Å; V67-I69 HydrophobicContact CG1-CD1 4.5Å; V67-I69 HydrophobicContact CG1-CG1 3.97Å
68	L	88.4	Confident	80.6	Confident	95 Å²	95	58.8 Å²	58.8	50%	0.497	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.9	172.2	179.2	65.3	0	0	0	109.1	L32 I33 Y34 L35	L32-L68 HydrophobicContact CD1-CB 4.24Å; I33-L68 PolarHBondContact O-N 2.99Å; Y34-L68 CarbonylContact C-O 3.56Å; Y34-L68 WeakPolarHBondContact CA-O 3.45Å; Y34-L68 HydrophobicContact CD2-CB 4.06Å; Y34-L68 HydrophobicContact CD2-CD2 3.72Å; Y34-L68 HydrophobicContact CD2-CG 3.83Å; Y34-L68 HydrophobicContact CE2-CD2 3.95Å; Y34-L68 HydrophobicContact CE2-CG 4.11Å; L35-L68 PolarHBondContact N-O 2.87Å
69	I	84.6	Confident	80.2	Confident	32 Å²	32	54.7 Å²	54.7	16%	0.164	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.4	-176.3	-50.2	172.4	0	0	0	109.6	L35 I57 V67 L77 F82 L86	L35-I69 HydrophobicContact CB-CG1 4.26Å; L35-I69 HydrophobicContact CB-CG2 4.4Å; L35-I69 HydrophobicContact CD1-CG1 4.4Å; L35-I69 CarbonylContact O-C 3.53Å; L35-I69 WeakPolarHBondContact O-CA 3.3Å; I57-I69 HydrophobicContact CD1-CD1 3.31Å; I57-I69 HydrophobicContact CG1-CD1 3.63Å; V67-I69 HydrophobicContact CG1-CD1 4.5Å; V67-I69 HydrophobicContact CG1-CG1 3.97Å; I69-L77 HydrophobicContact CG2-CD2 4.34Å; I69-F82 HydrophobicContact CB-CZ 4.4Å; I69-F82 HydrophobicContact CD1-CE1 4.36Å; I69-F82 HydrophobicContact CD1-CE2 4.01Å; I69-F82 HydrophobicContact CD1-CZ 3.5Å; I69-F82 VanDerWaalsContact CD1-CZ 3.5Å; I69-F82 HydrophobicContact CG2-CE2 4.48Å; I69-F82 HydrophobicContact CG2-CZ 4.04Å; I69-L86 HydrophobicContact CD1-CD2 3.67Å; I69-L86 HydrophobicContact CD1-CG 4.42Å
70	N	82.1	Confident	80	Confident	63 Å²	63	59 Å²	59	34%	0.337	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.1	169.6	-174.4	25.9	0	0	0	109	Y34 L35 N37	Y34-N70 HydrophobicContact CE2-CB 3.95Å; Y34-N70 VanDerWaalsContact OH-CB 3.24Å; Y34-N70 WeakPolarHBondContact OH-CB 3.44Å; Y34-N70 PolarHBondContact OH-ND2 3.14Å; L35-N70 PolarHBondContact O-N 2.8Å; N37-N70 CarbonylContact C-O 3.57Å; N37-N70 WeakPolarHBondContact CA-O 3.39Å; N37-N70 PolarHBondContact N-O 3.2Å
71	G	72.5	Confident	79.5	Confident	19 Å²	19	59.4 Å²	59.4	20%	0.196	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	146.6	178.1	0	0	0	0	0	112.4
72	S	68.4	Low	79.2	Confident	51 Å²	51	57.3 Å²	57.3	36%	0.357	35%	0.354	S	S	.	.	S	Bend	trans	-73	-25.9	175.4	30.5	0	0	0	0	114.1	N37 S39 E76	N37-S72 PolarHBondContact O-N 3.35Å; N37-S72 PolarHBondContact O-OG 3.19Å; S39-S72 PolarHBondContact N-OG 3.17Å; S39-S72 WeakPolarHBondContact OG-CB 3.31Å; S39-S72 PolarHBondContact OG-OG 3.35Å; S72-E76 PolarHBondContact OG-OE1 3.5Å; S72-E76 PolarHBondContact OG-OE2 3.32Å
73	S	69.5	Low	79	Confident	40 Å²	40	57.8 Å²	57.8	28%	0.28	34%	0.341	S	S	.	.			trans	-144	147.7	179.6	73.7	0	0	0	0	112.1	N75 E76 L77	S73-N75 PolarHBondContact O-N 3.48Å; S73-E76 PolarHBondContact O-N 3.1Å; S73-E76 VanDerWaalsContact OG-CG 3.31Å; S73-E76 WeakPolarHBondContact OG-CG 3.2Å; S73-E76 PolarHBondContact OG-N 3.34Å; S73-E76 PolarHBondContact OG-OE1 2.9Å; S73-L77 PolarHBondContact O-N 3.45Å
74	I	68.6	Low	78.9	Confident	136 Å²	136	59.3 Å²	59.3	70%	0.697	35%	0.348	S	S	*	.	H	α-helix	trans	-62.8	-26.6	175.4	-163.1	121.2	0	0	0	111.9	L77 S78	I74-L77 PolarHBondContact O-N 2.93Å; I74-S78 WeakPolarHBondContact O-CB 3.24Å; I74-S78 PolarHBondContact O-N 3.18Å; I74-S78 PolarHBondContact O-OG 3.02Å; I74-S78 VanDerWaalsContact O-OG 3.13Å
75	N	68.6	Low	78.7	Confident	124 Å²	124	56 Å²	56	66%	0.663	31%	0.314	S	S	*	.	H	α-helix	trans	-70	-35.3	-179.5	-69.6	-6.4	0	0	0	112.2	S73 L77 S78	S73-N75 PolarHBondContact O-N 3.48Å; N75-L77 VanDerWaalsContact C-N 3.33Å; N75-S78 WeakPolarHBondContact CA-OG 3.4Å; N75-S78 PolarHBondContact O-OG 3.24Å
76	E	66.5	Low	78.4	Confident	30 Å²	30	56.9 Å²	56.9	14%	0.14	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-41.2	172.7	-73.7	153.9	-144.9	0	0	111.1	N37 S72 S73 S78	N37-E76 PolarHBondContact ND2-OE2 2.8Å; S72-E76 PolarHBondContact OG-OE1 3.5Å; S72-E76 PolarHBondContact OG-OE2 3.32Å; S73-E76 PolarHBondContact O-N 3.1Å; S73-E76 VanDerWaalsContact OG-CG 3.31Å; S73-E76 WeakPolarHBondContact OG-CG 3.2Å; S73-E76 PolarHBondContact OG-N 3.34Å; S73-E76 PolarHBondContact OG-OE1 2.9Å; E76-S78 VanDerWaalsContact C-N 3.34Å
77	L	69.6	Low	78.1	Confident	54 Å²	54	58.3 Å²	58.3	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-79.3	-15.2	-176.6	-59.3	175.4	0	0	0	113.6	I69 S73 I74 N75 F82	I69-L77 HydrophobicContact CG2-CD2 4.34Å; S73-L77 PolarHBondContact O-N 3.45Å; I74-L77 PolarHBondContact O-N 2.93Å; N75-L77 VanDerWaalsContact C-N 3.33Å; L77-F82 HydrophobicContact CB-CE1 4.24Å; L77-F82 HydrophobicContact CD2-CE1 3.57Å; L77-F82 HydrophobicContact CD2-CE2 4.05Å; L77-F82 HydrophobicContact CD2-CZ 3.29Å; L77-F82 WeakPolarHBondContact O-CD1 3.33Å
78	S	72.4	Confident	77.7	Confident	66 Å²	66	59.2 Å²	59.2	46%	0.462	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.9	-175.1	65.7	0	0	0	0	114.2	I74 N75 E76	I74-S78 WeakPolarHBondContact O-CB 3.24Å; I74-S78 PolarHBondContact O-N 3.18Å; I74-S78 PolarHBondContact O-OG 3.02Å; I74-S78 VanDerWaalsContact O-OG 3.13Å; N75-S78 WeakPolarHBondContact CA-OG 3.4Å; N75-S78 PolarHBondContact O-OG 3.24Å; E76-S78 VanDerWaalsContact C-N 3.34Å
79	S	77.9	Confident	77.6	Confident	22 Å²	22	59.5 Å²	59.5	15%	0.154	33%	0.333	C	S	.	.			trans	-64.4	143.1	176.1	73.6	0	0	0	0	111.6	S50 S81 F82 I83	S50-S79 VanDerWaalsContact CB-OG 3.3Å; S50-S79 WeakPolarHBondContact CB-OG 3.42Å; S79-S81 VanDerWaalsContact C-N 3.3Å; S79-S81 PolarHBondContact O-N 2.8Å; S79-S81 PolarHBondContact OG-OG 2.88Å; S79-F82 PolarHBondContact O-N 3.18Å; S79-F82 WeakPolarHBondContact OG-CB 3.42Å; S79-F82 PolarHBondContact OG-N 2.93Å; S79-I83 WeakPolarHBondContact O-CG1 3.32Å; S79-I83 PolarHBondContact O-N 2.65Å
80	I	80.8	Confident	77.3	Confident	125 Å²	125	62.6 Å²	62.6	64%	0.641	36%	0.356	S	S	*	.	H	α-helix	trans	-61.8	-40.7	-179.7	-71.9	158	0	0	0	110.9	F82 I83 Q84	I80-F82 VanDerWaalsContact C-N 3.34Å; I80-F82 PolarHBondContact O-N 3.38Å; I80-I83 PolarHBondContact O-N 3.18Å; I80-Q84 HydrophobicContact CG2-CG 4.25Å; I80-Q84 VanDerWaalsContact O-CB 3.31Å; I80-Q84 WeakPolarHBondContact O-CB 3.23Å; I80-Q84 VanDerWaalsContact O-CG 3.23Å; I80-Q84 WeakPolarHBondContact O-CG 3.31Å; I80-Q84 PolarHBondContact O-N 2.89Å
81	S	78.4	Confident	76.9	Confident	13 Å²	13	61.1 Å²	61.1	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-61	-43.7	177.8	49.6	0	0	0	0	111.3	D51 S79 Q84 S85	D51-S81 PolarHBondContact OD1-OG 2.64Å; S79-S81 VanDerWaalsContact C-N 3.3Å; S79-S81 PolarHBondContact O-N 2.8Å; S79-S81 PolarHBondContact OG-OG 2.88Å; S81-Q84 PolarHBondContact O-N 2.91Å; S81-S85 WeakPolarHBondContact O-CB 3.34Å; S81-S85 PolarHBondContact O-N 2.87Å
82	F	81.1	Confident	76.6	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.018	37%	0.374	C	S	.	.	H	α-helix	trans	-63.4	-49	176.3	-174.7	-90.1	0	0	0	112	L53 I57 I69 L77 S79 I80 Q84 S85 L86	L53-F82 HydrophobicContact CB-CD2 3.98Å; L53-F82 HydrophobicContact CB-CE2 4.1Å; I57-F82 HydrophobicContact CD1-CD2 3.43Å; I57-F82 VanDerWaalsContact CD1-CD2 3.43Å; I57-F82 HydrophobicContact CD1-CE2 3.11Å; I57-F82 HydrophobicContact CD1-CG 4.3Å; I57-F82 HydrophobicContact CD1-CZ 3.71Å; I69-F82 HydrophobicContact CB-CZ 4.4Å; I69-F82 HydrophobicContact CD1-CE1 4.36Å; I69-F82 HydrophobicContact CD1-CE2 4.01Å; I69-F82 HydrophobicContact CD1-CZ 3.5Å; I69-F82 VanDerWaalsContact CD1-CZ 3.5Å; I69-F82 HydrophobicContact CG2-CE2 4.48Å; I69-F82 HydrophobicContact CG2-CZ 4.04Å; L77-F82 HydrophobicContact CB-CE1 4.24Å; L77-F82 HydrophobicContact CD2-CE1 3.57Å; L77-F82 HydrophobicContact CD2-CE2 4.05Å; L77-F82 HydrophobicContact CD2-CZ 3.29Å; L77-F82 WeakPolarHBondContact O-CD1 3.33Å; S79-F82 PolarHBondContact O-N 3.18Å; S79-F82 WeakPolarHBondContact OG-CB 3.42Å; S79-F82 PolarHBondContact OG-N 2.93Å; I80-F82 VanDerWaalsContact C-N 3.34Å; I80-F82 PolarHBondContact O-N 3.38Å; F82-Q84 VanDerWaalsContact C-N 3.31Å; F82-Q84 PolarHBondContact O-N 3.48Å; F82-S85 PolarHBondContact O-N 3.09Å; F82-S85 PolarHBondContact O-OG 3.06Å; F82-L86 HydrophobicContact CD1-CD1 3.8Å; F82-L86 HydrophobicContact CD1-CG 4.35Å; F82-L86 HydrophobicContact CE1-CD1 3.39Å; F82-L86 HydrophobicContact CE1-CG 4.08Å; F82-L86 HydrophobicContact CZ-CD1 4.23Å; F82-L86 PolarHBondContact O-N 2.77Å
83	I	82.9	Confident	76.4	Confident	72 Å²	72	65.6 Å²	65.6	37%	0.369	37%	0.37	S	S	.	.	H	α-helix	trans	-62.1	-40.4	178.2	-64.2	170.4	0	0	0	111.3	S79 I80 L86 Q87	S79-I83 WeakPolarHBondContact O-CG1 3.32Å; S79-I83 PolarHBondContact O-N 2.65Å; I80-I83 PolarHBondContact O-N 3.18Å; I83-L86 PolarHBondContact O-N 3.25Å; I83-Q87 WeakPolarHBondContact O-CG 3.43Å; I83-Q87 PolarHBondContact O-N 2.96Å; I83-Q87 VanDerWaalsContact O-N 3.09Å
84	Q	85.3	Confident	76	Confident	56 Å²	56	66.5 Å²	66.5	26%	0.262	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-43.8	175.4	-77.5	176.7	-14	0	0	111.6	I80 S81 F82 L86 Q87 G88 K89	I80-Q84 HydrophobicContact CG2-CG 4.25Å; I80-Q84 VanDerWaalsContact O-CB 3.31Å; I80-Q84 WeakPolarHBondContact O-CB 3.23Å; I80-Q84 VanDerWaalsContact O-CG 3.23Å; I80-Q84 WeakPolarHBondContact O-CG 3.31Å; I80-Q84 PolarHBondContact O-N 2.89Å; S81-Q84 PolarHBondContact O-N 2.91Å; F82-Q84 VanDerWaalsContact C-N 3.31Å; F82-Q84 PolarHBondContact O-N 3.48Å; Q84-L86 PolarHBondContact O-N 3.42Å; Q84-Q87 CarbonylContact O-C 3.57Å; Q84-Q87 PolarHBondContact O-N 3.1Å; Q84-Q87 VanDerWaalsContact O-N 3.1Å; Q84-G88 PolarHBondContact O-N 3.01Å; Q84-K89 HydrophobicContact CB-CB 4.1Å; Q84-K89 HydrophobicContact CG-CD 4.28Å; Q84-K89 WeakPolarHBondContact O-CB 3.39Å; Q84-K89 PolarHBondContact O-N 2.9Å
85	S	84.5	Confident	75.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-59.6	-46.8	175.8	74.4	0	0	0	0	110.8	A54 N61 S81 F82 Q87 G88	A54-S85 WeakPolarHBondContact CA-OG 3.29Å; A54-S85 WeakPolarHBondContact O-CB 3.28Å; A54-S85 PolarHBondContact O-OG 2.94Å; N61-S85 PolarHBondContact ND2-O 3.17Å; S81-S85 WeakPolarHBondContact O-CB 3.34Å; S81-S85 PolarHBondContact O-N 2.87Å; F82-S85 PolarHBondContact O-N 3.09Å; F82-S85 PolarHBondContact O-OG 3.06Å; S85-Q87 PolarHBondContact O-N 2.61Å; S85-G88 PolarHBondContact O-N 3.35Å
86	L	82.7	Confident	75.6	Confident	81 Å²	81	63.7 Å²	63.7	42%	0.424	37%	0.368	S	S	.	.	H	α-helix	trans	-57.3	-31.7	174.4	-80.1	177.2	0	0	0	113.9	I57 I69 F82 I83 Q84 G88	I57-L86 HydrophobicContact CG2-CD2 4.06Å; I57-L86 HydrophobicContact CG2-CG 4.42Å; I69-L86 HydrophobicContact CD1-CD2 3.67Å; I69-L86 HydrophobicContact CD1-CG 4.42Å; F82-L86 HydrophobicContact CD1-CD1 3.8Å; F82-L86 HydrophobicContact CD1-CG 4.35Å; F82-L86 HydrophobicContact CE1-CD1 3.39Å; F82-L86 HydrophobicContact CE1-CG 4.08Å; F82-L86 HydrophobicContact CZ-CD1 4.23Å; F82-L86 PolarHBondContact O-N 2.77Å; I83-L86 PolarHBondContact O-N 3.25Å; Q84-L86 PolarHBondContact O-N 3.42Å; L86-G88 PolarHBondContact O-N 3.32Å
87	Q	85.4	Confident	75.7	Confident	112 Å²	112	71.5 Å²	71.5	52%	0.523	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1.5	176.3	-69.2	176	-1.9	0	0	113.6	I83 Q84 S85 K89	I83-Q87 WeakPolarHBondContact O-CG 3.43Å; I83-Q87 PolarHBondContact O-N 2.96Å; I83-Q87 VanDerWaalsContact O-N 3.09Å; Q84-Q87 CarbonylContact O-C 3.57Å; Q84-Q87 PolarHBondContact O-N 3.1Å; Q84-Q87 VanDerWaalsContact O-N 3.1Å; S85-Q87 PolarHBondContact O-N 2.61Å; Q87-K89 HydrophobicContact CB-CD 4.29Å; Q87-K89 HydrophobicContact CB-CG 4.18Å; Q87-K89 PolarHBondContact O-N 3.39Å; Q87-K89 VanDerWaalsContact OE1-CE 3.27Å
88	G	82.2	Confident	75.5	Confident	48 Å²	48	76.6 Å²	76.6	50%	0.495	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	17.3	-174.5	0	0	0	0	0	113.5	Q84 S85 L86	Q84-G88 PolarHBondContact O-N 3.01Å; S85-G88 PolarHBondContact O-N 3.35Å; L86-G88 PolarHBondContact O-N 3.32Å
89	K	84.6	Confident	75.4	Confident	101 Å²	101	74.5 Å²	74.5	44%	0.439	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-77.1	148.7	176.7	-70.8	176.2	176.9	165.5	0	110.1	Q84 Q87 I91	Q84-K89 HydrophobicContact CB-CB 4.1Å; Q84-K89 HydrophobicContact CG-CD 4.28Å; Q84-K89 WeakPolarHBondContact O-CB 3.39Å; Q84-K89 PolarHBondContact O-N 2.9Å; Q87-K89 HydrophobicContact CB-CD 4.29Å; Q87-K89 HydrophobicContact CB-CG 4.18Å; Q87-K89 PolarHBondContact O-N 3.39Å; Q87-K89 VanDerWaalsContact OE1-CE 3.27Å; K89-I91 PolarHBondContact O-N 2.94Å
90	P	78.5	Confident	75.1	Confident	98 Å²	98	79.7 Å²	79.7	64%	0.636	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-59.1	137.3	174	24.5	-32.6	0	0	0	110.2
91	I	75.3	Confident	75	Confident	32 Å²	32	79.6 Å²	79.6	16%	0.164	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-81.3	126.2	176.3	-56	174.6	0	0	0	108.3	A54 R55 Y58 K89 I93	A54-I91 VanDerWaalsContact C-CD1 3.49Å; A54-I91 HydrophobicContact CB-CD1 4.27Å; A54-I91 VanDerWaalsContact O-CD1 3.31Å; A54-I91 WeakPolarHBondContact O-CD1 3.28Å; R55-I91 HydrophobicContact CB-CD1 4.38Å; R55-I91 HydrophobicContact CG-CD1 4.07Å; Y58-I91 HydrophobicContact CD1-CD1 4.43Å; Y58-I91 HydrophobicContact CD2-CD1 4.36Å; Y58-I91 HydrophobicContact CD2-CG1 4.13Å; Y58-I91 HydrophobicContact CG-CD1 3.82Å; Y58-I91 HydrophobicContact CG-CG1 4.09Å; K89-I91 PolarHBondContact O-N 2.94Å; I91-I93 HydrophobicContact CG2-CB 3.87Å; I91-I93 HydrophobicContact CG2-CD1 3.71Å; I91-I93 HydrophobicContact CG2-CG1 3.85Å; I91-I93 PolarHBondContact O-N 2.98Å; I91-I93 VanDerWaalsContact O-N 3.14Å
92	S	65.1	Low	75.4	Confident	108 Å²	108	81 Å²	81	76%	0.755	45%	0.452	S	S	*	.			trans	-74.2	5	-179.9	-49.2	0	0	0	0	114.8
93	I	63.5	Low	75.8	Confident	55 Å²	55	81.2 Å²	81.2	28%	0.282	45%	0.453	S	S	.	.			trans	-101.8	100	-168.1	-52.1	158.3	0	0	0	107.7	D51 R55 I91	D51-I93 HydrophobicContact CB-CD1 4.04Å; D51-I93 WeakPolarHBondContact OD1-CD1 3.31Å; R55-I93 PolarHBondContact NH1-O 2.75Å; R55-I93 PolarHBondContact NH2-O 3.17Å; I91-I93 HydrophobicContact CG2-CB 3.87Å; I91-I93 HydrophobicContact CG2-CD1 3.71Å; I91-I93 HydrophobicContact CG2-CG1 3.85Å; I91-I93 PolarHBondContact O-N 2.98Å; I91-I93 VanDerWaalsContact O-N 3.14Å
94	G	63	Low	76.1	Confident	59 Å²	59	79.4 Å²	79.4	61%	0.608	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-65.5	161.6	169.2	0	0	0	0	0	111.4	R55	R55-G94 PolarHBondContact NH2-O 2.76Å
95	F	62.4	Low	76.5	Confident	102 Å²	102	81.7 Å²	81.7	45%	0.447	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-75	140.9	162.2	-65.4	-84.6	0	0	0	107.5	M10 L14 E97 I99	M10-F95 HydrophobicContact CE-CD1 3.41Å; M10-F95 VanDerWaalsContact CE-CD1 3.41Å; M10-F95 HydrophobicContact CE-CE1 3.47Å; M10-F95 VanDerWaalsContact CE-CE1 3.47Å; M10-F95 HydrophobicContact CG-CE1 4.41Å; M10-F95 HydrophobicContact SD-CD1 4.31Å; M10-F95 HydrophobicContact SD-CE1 3.83Å; L14-F95 HydrophobicContact CD1-CE1 3.51Å; L14-F95 HydrophobicContact CD1-CZ 3.43Å; L14-F95 VanDerWaalsContact CD1-CZ 3.43Å; F95-E97 PolarHBondContact O-N 3.45Å; F95-I99 HydrophobicContact CB-CD1 4.4Å
96	N	66.3	Low	76.9	Confident	100 Å²	100	89 Å²	89	54%	0.535	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-63.7	124.2	168.9	-163	8.1	0	0	0	107.3	L98 I99	N96-L98 PolarHBondContact O-N 3.39Å; N96-I99 HydrophobicContact CB-CD1 3.51Å; N96-I99 HydrophobicContact CB-CG1 3.72Å; N96-I99 VanDerWaalsContact N-CD1 3.3Å; N96-I99 WeakPolarHBondContact O-CB 3.17Å; N96-I99 WeakPolarHBondContact O-CD1 3.39Å; N96-I99 WeakPolarHBondContact O-CG1 3.35Å; N96-I99 PolarHBondContact O-N 2.88Å
97	E	66.7	Low	77.4	Confident	193 Å²	193	86.3 Å²	86.3	90%	0.902	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.6	-169.1	-68.1	-176.5	167.6	0	0	113.1	F95 I99	F95-E97 PolarHBondContact O-N 3.45Å; E97-I99 VanDerWaalsContact C-N 3.34Å
98	L	65.4	Low	77.8	Confident	162 Å²	162	85.8 Å²	85.8	85%	0.848	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.5	178.5	-61.9	173.1	0	0	0	113.7	N96	N96-L98 PolarHBondContact O-N 3.39Å
99	I	70.8	Confident	78.5	Confident	21 Å²	21	88.5 Å²	88.5	11%	0.108	48%	0.482	C	S	.	.	S	Bend	trans	-74.1	139.3	-175.7	-54.8	159.6	0	0	0	110.3	D7 M10 I11 F95 N96 E97 T101	D7-I99 HydrophobicContact CB-CD1 3.68Å; D7-I99 HydrophobicContact CB-CG1 3.83Å; D7-I99 HydrophobicContact CB-CG2 3.78Å; D7-I99 WeakPolarHBondContact OD2-CD1 3.47Å; D7-I99 WeakPolarHBondContact OD2-CG1 3.37Å; M10-I99 HydrophobicContact CE-CD1 4.49Å; I11-I99 HydrophobicContact CD1-CB 4.3Å; I11-I99 HydrophobicContact CD1-CG2 3.32Å; I11-I99 HydrophobicContact CG1-CG2 4.32Å; F95-I99 HydrophobicContact CB-CD1 4.4Å; N96-I99 HydrophobicContact CB-CD1 3.51Å; N96-I99 HydrophobicContact CB-CG1 3.72Å; N96-I99 VanDerWaalsContact N-CD1 3.3Å; N96-I99 WeakPolarHBondContact O-CB 3.17Å; N96-I99 WeakPolarHBondContact O-CD1 3.39Å; N96-I99 WeakPolarHBondContact O-CG1 3.35Å; N96-I99 PolarHBondContact O-N 2.88Å; E97-I99 VanDerWaalsContact C-N 3.34Å; I99-T101 PolarHBondContact O-N 3.48Å; I99-T101 VanDerWaalsContact O-N 3.08Å
100	Q	71	Confident	79	Confident	132 Å²	132	86.5 Å²	86.5	62%	0.617	48%	0.476	S	S	*	.			trans	-59.2	107.4	176.1	-158.7	173.4	12.4	0	0	111.9	I11 S102	I11-Q100 WeakPolarHBondContact CD1-O 3.38Å; Q100-S102 PolarHBondContact O-N 3.08Å
101	T	80.2	Confident	79.8	Confident	123 Å²	123	82.5 Å²	82.5	76%	0.755	45%	0.449	S	S	*	.	S	Bend	trans	-72.2	7.5	-175.2	56.2	0	0	0	0	115.4	I99	I99-T101 PolarHBondContact O-N 3.48Å; I99-T101 VanDerWaalsContact O-N 3.08Å
102	S	86.2	Confident	80.8	Confident	43 Å²	43	86.4 Å²	86.4	30%	0.301	47%	0.466	S	S	.	.	S	Bend	trans	-119.1	140.7	-179	71	0	0	0	0	110.6	Q100	Q100-S102 PolarHBondContact O-N 3.08Å
103	P	89	Confident	82.3	Confident	8 Å²	8	84.2 Å²	84.2	5%	0.052	45%	0.446	C	S	.	.			trans	-66.8	156.5	179.2	30.1	-34.8	0	0	0	110.1	D12 F15 M107 K108	D12-P103 VanDerWaalsContact OD1-CA 3.24Å; D12-P103 WeakPolarHBondContact OD1-CA 3.47Å; D12-P103 WeakPolarHBondContact OD1-CB 3.41Å; F15-P103 HydrophobicContact CB-CB 3.94Å; F15-P103 HydrophobicContact CB-CG 4.18Å; F15-P103 HydrophobicContact CD1-CB 4.14Å; F15-P103 HydrophobicContact CD1-CG 3.47Å; F15-P103 VanDerWaalsContact CD1-CG 3.47Å; F15-P103 HydrophobicContact CD2-CB 4.01Å; F15-P103 HydrophobicContact CD2-CG 4.08Å; F15-P103 VanDerWaalsContact CE1-CD 3.46Å; F15-P103 HydrophobicContact CE1-CG 3.81Å; F15-P103 HydrophobicContact CE2-CG 4.37Å; F15-P103 HydrophobicContact CG-CB 3.75Å; F15-P103 HydrophobicContact CG-CG 3.63Å; F15-P103 VanDerWaalsContact CZ-CD 3.46Å; F15-P103 HydrophobicContact CZ-CG 4.26Å; P103-M107 HydrophobicContact CB-CB 4.14Å; P103-M107 HydrophobicContact CB-CG 4.11Å; P103-K108 HydrophobicContact CB-CG 4.42Å; P103-K108 HydrophobicContact CG-CD 4.34Å; P103-K108 HydrophobicContact CG-CG 3.67Å; P103-K108 VanDerWaalsContact O-CE 3.28Å; P103-K108 WeakPolarHBondContact O-CE 3.36Å
104	S	90.6	Very high	83.9	Confident	34 Å²	34	83.7 Å²	83.7	24%	0.238	44%	0.443	C	S	.	.			trans	-55.9	152.6	174.9	73.5	0	0	0	0	110.9	D12 K106 M107 K108	D12-S104 PolarHBondContact OD1-N 3.08Å; D12-S104 PolarHBondContact OD1-OG 3.24Å; D12-S104 VanDerWaalsContact OD2-CB 3.28Å; D12-S104 WeakPolarHBondContact OD2-CB 3.5Å; D12-S104 PolarHBondContact OD2-OG 3.49Å; S104-K106 PolarHBondContact O-N 3.11Å; S104-M107 PolarHBondContact O-N 2.84Å; S104-M107 WeakPolarHBondContact OG-CB 3.33Å; S104-M107 PolarHBondContact OG-N 3.26Å; S104-K108 WeakPolarHBondContact O-CG 3.32Å; S104-K108 PolarHBondContact O-N 2.81Å
105	S	92.6	Very high	85.4	Confident	103 Å²	103	82.1 Å²	82.1	72%	0.72	42%	0.42	S	S	*	.	H	α-helix	trans	-56.1	-37.2	175.3	52.2	0	0	0	0	111.8	H109	S105-H109 PolarHBondContact O-N 3.44Å; S105-H109 VanDerWaalsContact O-N 3.08Å
106	K	93.2	Very high	87	Confident	154 Å²	154	83.4 Å²	83.4	67%	0.67	43%	0.428	S	S	*	.	H	α-helix	trans	-61	-48.4	174.1	-174	-178.1	177.6	-173.4	0	111.3	S104 H109 I110	S104-K106 PolarHBondContact O-N 3.11Å; K106-H109 PolarHBondContact O-N 3.38Å; K106-I110 HydrophobicContact CG-CD1 4.07Å; K106-I110 WeakPolarHBondContact O-CG1 3.35Å; K106-I110 PolarHBondContact O-N 3.12Å
107	M	92.9	Very high	88.4	Confident	25 Å²	25	85.5 Å²	85.5	12%	0.123	43%	0.434	C	S	.	.	H	α-helix	trans	-66.3	-40.8	179.9	-177.6	54.6	76.5	0	0	112.2	D12 I16 P103 S104 H109 I110 I111	D12-M107 HydrophobicContact CB-CB 4.07Å; D12-M107 HydrophobicContact CB-CE 3.73Å; D12-M107 HydrophobicContact CB-CG 3.95Å; D12-M107 VanDerWaalsContact CG-CB 3.42Å; D12-M107 VanDerWaalsContact OD1-CB 3.31Å; D12-M107 WeakPolarHBondContact OD1-CB 3.44Å; I16-M107 HydrophobicContact CB-CE 4.42Å; I16-M107 HydrophobicContact CB-SD 3.95Å; I16-M107 HydrophobicContact CD1-SD 4.21Å; I16-M107 HydrophobicContact CG1-SD 4.47Å; I16-M107 HydrophobicContact CG2-CE 4.47Å; P103-M107 HydrophobicContact CB-CB 4.14Å; P103-M107 HydrophobicContact CB-CG 4.11Å; S104-M107 PolarHBondContact O-N 2.84Å; S104-M107 WeakPolarHBondContact OG-CB 3.33Å; S104-M107 PolarHBondContact OG-N 3.26Å; M107-H109 VanDerWaalsContact C-N 3.27Å; M107-H109 PolarHBondContact O-N 3.39Å; M107-I110 PolarHBondContact O-N 3.07Å; M107-I110 HydrophobicContact SD-CB 4.41Å; M107-I110 HydrophobicContact SD-CG2 4.45Å; M107-I111 HydrophobicContact CG-CD1 3.96Å; M107-I111 HydrophobicContact CG-CG1 4.42Å; M107-I111 WeakPolarHBondContact O-CG1 3.4Å; M107-I111 PolarHBondContact O-N 3.43Å; M107-I111 HydrophobicContact SD-CD1 4.22Å; M107-I111 HydrophobicContact SD-CG1 4.11Å
108	K	94.7	Very high	89.8	Confident	100 Å²	100	77.9 Å²	77.9	44%	0.435	40%	0.4	S	S	.	.	H	α-helix	trans	-54.7	-45.8	172.4	-68.9	-179.2	-177.3	173.4	0	111.5	P103 S104 I111 Q112	P103-K108 HydrophobicContact CB-CG 4.42Å; P103-K108 HydrophobicContact CG-CD 4.34Å; P103-K108 HydrophobicContact CG-CG 3.67Å; P103-K108 VanDerWaalsContact O-CE 3.28Å; P103-K108 WeakPolarHBondContact O-CE 3.36Å; S104-K108 WeakPolarHBondContact O-CG 3.32Å; S104-K108 PolarHBondContact O-N 2.81Å; K108-I111 PolarHBondContact O-N 3.41Å; K108-Q112 VanDerWaalsContact O-CG 3.32Å; K108-Q112 WeakPolarHBondContact O-CG 3.35Å; K108-Q112 PolarHBondContact O-N 3.29Å
109	H	96.3	Very high	91.2	Very high	106 Å²	106	74.3 Å²	74.3	49%	0.491	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-41.8	179.1	-168.8	59.5	0	0	0	112.2	S105 K106 M107 Q112 L113	S105-H109 PolarHBondContact O-N 3.44Å; S105-H109 VanDerWaalsContact O-N 3.08Å; K106-H109 PolarHBondContact O-N 3.38Å; M107-H109 VanDerWaalsContact C-N 3.27Å; M107-H109 PolarHBondContact O-N 3.39Å; H109-Q112 PolarHBondContact O-N 3.03Å; H109-L113 WeakPolarHBondContact O-CG 3.46Å; H109-L113 PolarHBondContact O-N 3.21Å
110	I	96.1	Very high	92.2	Very high	59 Å²	59	81.6 Å²	81.6	30%	0.303	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-47.3	175.7	-70.6	167.2	0	0	0	111	I16 K106 M107 Q112 L113 I114	I16-I110 HydrophobicContact CD1-CG2 4.48Å; K106-I110 HydrophobicContact CG-CD1 4.07Å; K106-I110 WeakPolarHBondContact O-CG1 3.35Å; K106-I110 PolarHBondContact O-N 3.12Å; M107-I110 PolarHBondContact O-N 3.07Å; M107-I110 HydrophobicContact SD-CB 4.41Å; M107-I110 HydrophobicContact SD-CG2 4.45Å; I110-Q112 VanDerWaalsContact C-N 3.33Å; I110-Q112 PolarHBondContact O-N 2.92Å; I110-L113 PolarHBondContact O-N 3.43Å; I110-I114 HydrophobicContact CG2-CD1 3.72Å; I110-I114 HydrophobicContact CG2-CG1 4.38Å; I110-I114 VanDerWaalsContact O-CG1 3.32Å; I110-I114 WeakPolarHBondContact O-CG1 3.39Å; I110-I114 PolarHBondContact O-N 2.93Å
111	I	95.5	Very high	93.4	Very high	13 Å²	13	84 Å²	84	7%	0.067	42%	0.416	C	S	.	.	H	α-helix	trans	-58.2	-47.3	177.9	-70.1	169.1	0	0	0	110.4	F15 I16 I20 M107 K108 L113 I114 I115	F15-I111 HydrophobicContact CB-CD1 4.05Å; I16-I111 HydrophobicContact CG1-CG1 4.48Å; I20-I111 HydrophobicContact CD1-CG2 4.04Å; I20-I111 HydrophobicContact CG1-CG1 4.42Å; I20-I111 HydrophobicContact CG1-CG2 4.41Å; M107-I111 HydrophobicContact CG-CD1 3.96Å; M107-I111 HydrophobicContact CG-CG1 4.42Å; M107-I111 WeakPolarHBondContact O-CG1 3.4Å; M107-I111 PolarHBondContact O-N 3.43Å; M107-I111 HydrophobicContact SD-CD1 4.22Å; M107-I111 HydrophobicContact SD-CG1 4.11Å; K108-I111 PolarHBondContact O-N 3.41Å; I111-L113 PolarHBondContact O-N 2.82Å; I111-I114 PolarHBondContact O-N 3.19Å; I111-I115 HydrophobicContact CG2-CD1 3.84Å; I111-I115 WeakPolarHBondContact O-CG1 3.44Å; I111-I115 PolarHBondContact O-N 3.19Å
112	Q	95.5	Very high	94.1	Very high	115 Å²	115	81 Å²	81	54%	0.537	39%	0.39	S	S	.	.	H	α-helix	trans	-59.1	-44.8	177.1	-73.4	173.9	-28.4	0	0	112.3	K108 H109 I110 I115 Q116	K108-Q112 VanDerWaalsContact O-CG 3.32Å; K108-Q112 WeakPolarHBondContact O-CG 3.35Å; K108-Q112 PolarHBondContact O-N 3.29Å; H109-Q112 PolarHBondContact O-N 3.03Å; I110-Q112 VanDerWaalsContact C-N 3.33Å; I110-Q112 PolarHBondContact O-N 2.92Å; Q112-I115 PolarHBondContact O-N 3.38Å; Q112-Q116 WeakPolarHBondContact O-CB 3.01Å; Q112-Q116 VanDerWaalsContact O-CG 3.3Å; Q112-Q116 WeakPolarHBondContact O-CG 3.4Å; Q112-Q116 PolarHBondContact O-N 3.26Å
113	L	96.7	Very high	94.5	Very high	62 Å²	62	87.1 Å²	87.1	33%	0.325	41%	0.412	S	S	.	.	H	α-helix	trans	-62.5	-43.5	177.8	-74.2	172.9	0	0	0	111.9	H109 I110 I111 Q116 Q117	H109-L113 WeakPolarHBondContact O-CG 3.46Å; H109-L113 PolarHBondContact O-N 3.21Å; I110-L113 PolarHBondContact O-N 3.43Å; I111-L113 PolarHBondContact O-N 2.82Å; L113-Q116 PolarHBondContact O-N 3.2Å; L113-Q117 WeakPolarHBondContact O-CB 3.43Å; L113-Q117 VanDerWaalsContact O-CG 3.29Å; L113-Q117 WeakPolarHBondContact O-CG 3.24Å; L113-Q117 PolarHBondContact O-N 3.5Å
114	I	96.5	Very high	94.8	Very high	43 Å²	43	87.7 Å²	87.7	22%	0.221	42%	0.416	C	S	.	.	H	α-helix	trans	-62.7	-45.5	178.8	-66.9	167.3	0	0	0	110.4	I16 I20 I110 I111 Q117 N118	I16-I114 HydrophobicContact CD1-CD1 4.05Å; I20-I114 HydrophobicContact CD1-CB 4.07Å; I20-I114 HydrophobicContact CD1-CG2 3.82Å; I20-I114 HydrophobicContact CG1-CD1 4.46Å; I20-I114 HydrophobicContact CG1-CG2 4.26Å; I20-I114 HydrophobicContact CG2-CG2 3.8Å; I110-I114 HydrophobicContact CG2-CD1 3.72Å; I110-I114 HydrophobicContact CG2-CG1 4.38Å; I110-I114 VanDerWaalsContact O-CG1 3.32Å; I110-I114 WeakPolarHBondContact O-CG1 3.39Å; I110-I114 PolarHBondContact O-N 2.93Å; I111-I114 PolarHBondContact O-N 3.19Å; I114-Q117 PolarHBondContact O-N 3.31Å; I114-N118 WeakPolarHBondContact O-CB 3.21Å; I114-N118 PolarHBondContact O-N 3.37Å; I114-N118 PolarHBondContact O-ND2 3.46Å
115	I	95.8	Very high	94.9	Very high	26 Å²	26	86.1 Å²	86.1	13%	0.133	41%	0.405	C	S	.	.	H	α-helix	trans	-59.5	-52	177	-69.9	169	0	0	0	110	I20 I111 Q112 Q117 N118 H119 L125 F128	I20-I115 HydrophobicContact CD1-CD1 4.21Å; I20-I115 HydrophobicContact CD1-CG1 3.68Å; I111-I115 HydrophobicContact CG2-CD1 3.84Å; I111-I115 WeakPolarHBondContact O-CG1 3.44Å; I111-I115 PolarHBondContact O-N 3.19Å; Q112-I115 PolarHBondContact O-N 3.38Å; I115-Q117 VanDerWaalsContact C-N 3.27Å; I115-Q117 PolarHBondContact O-N 2.95Å; I115-N118 PolarHBondContact O-N 3.17Å; I115-N118 VanDerWaalsContact O-N 3.1Å; I115-H119 WeakPolarHBondContact O-CB 3.31Å; I115-H119 PolarHBondContact O-N 2.96Å; I115-L125 HydrophobicContact CG1-CD2 4.39Å; I115-L125 WeakPolarHBondContact CG2-O 3.3Å; I115-F128 HydrophobicContact CD1-CB 4.39Å
116	Q	95.5	Very high	94.6	Very high	129 Å²	129	83.6 Å²	83.6	60%	0.603	40%	0.395	S	S	*	.	H	α-helix	trans	-57.4	-39.7	-179.9	-76.5	-178.7	-20.1	0	0	112.6	Q112 L113 H119	Q112-Q116 WeakPolarHBondContact O-CB 3.01Å; Q112-Q116 VanDerWaalsContact O-CG 3.3Å; Q112-Q116 WeakPolarHBondContact O-CG 3.4Å; Q112-Q116 PolarHBondContact O-N 3.26Å; L113-Q116 PolarHBondContact O-N 3.2Å; Q116-H119 PolarHBondContact O-CE1 2.82Å; Q116-H119 VanDerWaalsContact O-CE1 3.24Å; Q116-H119 PolarHBondContact O-ND1 3.5Å
117	Q	95.7	Very high	93.8	Very high	145 Å²	145	84.1 Å²	84.1	68%	0.678	40%	0.4	S	S	*	.	H	α-helix	trans	-77	-21.8	-179.2	-71	178.2	0.8	0	0	113.8	L113 I114 I115	L113-Q117 WeakPolarHBondContact O-CB 3.43Å; L113-Q117 VanDerWaalsContact O-CG 3.29Å; L113-Q117 WeakPolarHBondContact O-CG 3.24Å; L113-Q117 PolarHBondContact O-N 3.5Å; I114-Q117 PolarHBondContact O-N 3.31Å; I115-Q117 VanDerWaalsContact C-N 3.27Å; I115-Q117 PolarHBondContact O-N 2.95Å
118	N	95.7	Very high	92.4	Very high	33 Å²	33	90.7 Å²	90.7	18%	0.176	43%	0.428	C	S	.	.	H	α-helix	trans	-121.9	-3.8	-169.1	-65.4	-83.2	0	0	0	115.1	I114 I115 Q120 R121 W122 L125	I114-N118 WeakPolarHBondContact O-CB 3.21Å; I114-N118 PolarHBondContact O-N 3.37Å; I114-N118 PolarHBondContact O-ND2 3.46Å; I115-N118 PolarHBondContact O-N 3.17Å; I115-N118 VanDerWaalsContact O-N 3.1Å; N118-Q120 PolarHBondContact O-N 2.89Å; N118-Q120 VanDerWaalsContact O-N 3.08Å; N118-R121 PolarHBondContact O-N 3.3Å; N118-W122 PolarHBondContact O-N 2.93Å; N118-L125 HydrophobicContact CB-CD1 3.82Å
119	H	94	Very high	92.3	Very high	87 Å²	87	90.3 Å²	90.3	40%	0.403	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.9	-179.8	71.7	-79.1	0	0	0	114.3	I115 Q116	I115-H119 WeakPolarHBondContact O-CB 3.31Å; I115-H119 PolarHBondContact O-N 2.96Å; Q116-H119 PolarHBondContact O-CE1 2.82Å; Q116-H119 VanDerWaalsContact O-CE1 3.24Å; Q116-H119 PolarHBondContact O-ND1 3.5Å
120	Q	93.2	Very high	92.1	Very high	174 Å²	174	89.4 Å²	89.4	81%	0.813	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-22.3	175.6	-62.4	-173.5	-18.6	0	0	113.2	N118	N118-Q120 PolarHBondContact O-N 2.89Å; N118-Q120 VanDerWaalsContact O-N 3.08Å
121	R	94.7	Very high	91.8	Very high	183 Å²	183	91.1 Å²	91.1	69%	0.691	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-34.6	-177.2	-62.7	177.1	65.3	-176.9	1.6	112.2	N118	N118-R121 PolarHBondContact O-N 3.3Å
122	W	95.8	Very high	91.6	Very high	58 Å²	58	95.7 Å²	95.7	22%	0.22	45%	0.453	C	S	.	.			trans	-119.9	117.3	-178.4	-59.7	109.2	0	0	0	109.8	I24 E27 Y28 N118 C124 L125	I24-W122 HydrophobicContact CG1-CD2 4.17Å; I24-W122 HydrophobicContact CG1-CG 4.09Å; I24-W122 HydrophobicContact CG2-CD2 3.98Å; I24-W122 HydrophobicContact CG2-CE3 4.05Å; I24-W122 HydrophobicContact CG2-CH2 3.77Å; I24-W122 HydrophobicContact CG2-CZ2 3.69Å; I24-W122 HydrophobicContact CG2-CZ3 3.95Å; E27-W122 HydrophobicContact CB-CE3 4.34Å; E27-W122 HydrophobicContact CG-CE3 4.1Å; E27-W122 HydrophobicContact CG-CZ3 4.44Å; Y28-W122 HydrophobicContact CD2-CH2 4.12Å; Y28-W122 HydrophobicContact CG-CH2 4.33Å; N118-W122 PolarHBondContact O-N 2.93Å; W122-C124 PolarHBondContact O-N 3.26Å; W122-L125 HydrophobicContact CB-CB 4.37Å; W122-L125 HydrophobicContact CB-CD1 3.97Å; W122-L125 HydrophobicContact CB-CG 3.89Å; W122-L125 HydrophobicContact CG-CD1 4.3Å; W122-L125 PolarHBondContact O-N 2.88Å
123	K	95	Very high	91.4	Very high	172 Å²	172	94.5 Å²	94.5	75%	0.748	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-63.1	-35.1	-178.8	-65.5	175.8	-177	171.7	0	111.4	E27 L125 G126	E27-K123 PolarHBondContact OE1-N 3.4Å; E27-K123 PolarHBondContact OE2-N 3.18Å; K123-L125 PolarHBondContact O-N 3.36Å; K123-G126 PolarHBondContact O-N 2.85Å
124	C	94.3	Very high	91	Very high	21 Å²	21	96.7 Å²	96.7	14%	0.142	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-61	-30	178.7	64	0	0	0	0	113	P23 E27 W122 F128	P23-C124 VanDerWaalsContact C-SG 3.55Å; P23-C124 HydrophobicContact CB-CB 3.84Å; E27-C124 WeakPolarHBondContact OE2-CB 3.17Å; E27-C124 PolarHBondContact OE2-N 3.31Å; E27-C124 PolarHBondContact OE2-SG 3.13Å; W122-C124 PolarHBondContact O-N 3.26Å; C124-F128 WeakPolarHBondContact O-CE2 3.43Å
125	L	93.3	Very high	90.6	Very high	1 Å²	1	100.5 Å²	100.5	1%	0.005	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-83.2	-17.2	-180	-58.2	-176.8	0	0	0	112.9	I20 I24 I115 N118 W122 K123 Q127	I20-L125 HydrophobicContact CD1-CD2 4.38Å; I24-L125 HydrophobicContact CD1-CD1 4.09Å; I24-L125 HydrophobicContact CG1-CD1 4.34Å; I24-L125 HydrophobicContact CG1-CD2 4.37Å; I24-L125 HydrophobicContact CG1-CG 4.41Å; I115-L125 HydrophobicContact CG1-CD2 4.39Å; I115-L125 WeakPolarHBondContact CG2-O 3.3Å; N118-L125 HydrophobicContact CB-CD1 3.82Å; W122-L125 HydrophobicContact CB-CB 4.37Å; W122-L125 HydrophobicContact CB-CD1 3.97Å; W122-L125 HydrophobicContact CB-CG 3.89Å; W122-L125 HydrophobicContact CG-CD1 4.3Å; W122-L125 PolarHBondContact O-N 2.88Å; K123-L125 PolarHBondContact O-N 3.36Å; L125-Q127 PolarHBondContact O-N 2.83Å
126	G	86.1	Confident	90.2	Very high	50 Å²	50	106.2 Å²	106.2	52%	0.515	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-78.5	-1.1	178	0	0	0	0	0	114.7	K123	K123-G126 PolarHBondContact O-N 2.85Å
127	Q	75.6	Confident	89.8	Confident	164 Å²	164	104.3 Å²	104.3	77%	0.766	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-98.7	-3.7	-175.3	-61.7	-177.7	0.8	0	0	113.8	L125	L125-Q127 PolarHBondContact O-N 2.83Å
128	F	64.3	Low	89.3	Confident	164 Å²	164	100.6 Å²	100.6	72%	0.719	47%	0.473	S	S	*	.			trans	-102	0	-176.5	-68.1	-79.5	0	0	0	113.1	Y19 I115 C124	Y19-F128 HydrophobicContact CD1-CD1 4.43Å; Y19-F128 HydrophobicContact CD1-CE1 4.09Å; Y19-F128 HydrophobicContact CD1-CZ 4.5Å; Y19-F128 HydrophobicContact CE1-CE1 4.17Å; I115-F128 HydrophobicContact CD1-CB 4.39Å; C124-F128 WeakPolarHBondContact O-CE2 3.43Å

Retrieved 128 of 128 residues in 240.7 ms (Link to these results)

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