A0A5K4F6B3_SCHMA Loading...

Secreted protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F6B3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 110 aa.

						>A0A5K4F6B3_SCHMA|A0A5K4F6B3
MNCLFLLFLPSLWSVLSTENNDRFVLILINEILHQLDLFIQRKSFSRFGAIQLEKEYHNLFAYLTSISYSSLSDYFTRSLQVCRLLNLDRVEEVHYYWNSSNWRLTAHET
					

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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	47.6	Very low	66.3	Low	160 Å²	160	90.5 Å²	90.5	79%	0.788	48%	0.482	S	S	*	.				0	129.1	0	-85.1	164.2	74	0	0	108	C3 I32 L36 L60	M1-C3 PolarHBondContact O-N 3.15Å; M1-I32 HydrophobicContact CE-CG2 3.85Å; M1-L36 HydrophobicContact CE-CD1 4.11Å; M1-L36 HydrophobicContact CE-CD2 4.13Å; M1-L36 HydrophobicContact CE-CG 3.95Å; M1-L36 HydrophobicContact SD-CD1 4.25Å; M1-L36 HydrophobicContact SD-CD2 3.31Å; M1-L36 WeakPolarHBondContact SD-CD2 3.3Å; M1-L36 HydrophobicContact SD-CG 3.83Å; M1-L60 HydrophobicContact CE-CD2 4.36Å
2	N	42.3	Very low	67.1	Low	143 Å²	143	87.9 Å²	87.9	77%	0.765	47%	0.468	S	S	*	.			trans	-67.3	95.3	176.5	-81.8	-30.2	0	0	0	109.6	L4	N2-L4 HydrophobicContact CB-CD1 4.42Å; N2-L4 PolarHBondContact O-N 3.11Å
3	C	60	Low	67.9	Low	81 Å²	81	87.3 Å²	87.3	55%	0.547	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	0.6	168.4	-81.6	0	0	0	0	113.8	M1 F5 L6 L7	M1-C3 PolarHBondContact O-N 3.15Å; C3-F5 PolarHBondContact O-N 3.48Å; C3-L6 WeakPolarHBondContact O-CB 3.41Å; C3-L6 PolarHBondContact O-N 2.96Å; C3-L6 VanDerWaalsContact O-N 3.09Å; C3-L7 PolarHBondContact O-N 3.46Å
4	L	61.3	Low	68.8	Low	107 Å²	107	88.3 Å²	88.3	56%	0.56	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-37.5	176.3	-72.7	167.5	0	0	0	112.2	N2 L6 L7 F8	N2-L4 HydrophobicContact CB-CD1 4.42Å; N2-L4 PolarHBondContact O-N 3.11Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.1Å; L4-L7 HydrophobicContact CD2-CD1 4.11Å; L4-L7 WeakPolarHBondContact O-CB 3.43Å; L4-L7 PolarHBondContact O-N 3.19Å; L4-F8 WeakPolarHBondContact O-CD2 3.38Å; L4-F8 WeakPolarHBondContact O-CE2 3.42Å
5	F	66.7	Low	70	Confident	105 Å²	105	90.4 Å²	90.4	46%	0.461	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-38.2	178.5	-171.9	-96.7	0	0	0	112.3	C3 L7 F8 L9 L28	C3-F5 PolarHBondContact O-N 3.48Å; F5-L7 PolarHBondContact O-N 3.4Å; F5-F8 PolarHBondContact O-N 2.86Å; F5-L9 HydrophobicContact CE1-CD2 4.49Å; F5-L28 HydrophobicContact CD1-CD1 3.94Å; F5-L28 HydrophobicContact CD1-CD2 4.2Å; F5-L28 HydrophobicContact CE1-CD1 3.41Å; F5-L28 VanDerWaalsContact CE1-CD1 3.41Å; F5-L28 HydrophobicContact CE1-CD2 3.73Å; F5-L28 HydrophobicContact CE1-CG 4.22Å; F5-L28 HydrophobicContact CZ-CD1 4.31Å
6	L	70	Confident	70.8	Confident	16 Å²	16	88.7 Å²	88.7	8%	0.084	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-65.6	-26.1	179.5	-59.4	177.9	0	0	0	111.9	C3 L4 F8 L9 L28 I32 L60 Y63 L64	C3-L6 WeakPolarHBondContact O-CB 3.41Å; C3-L6 PolarHBondContact O-N 2.96Å; C3-L6 VanDerWaalsContact O-N 3.09Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.1Å; L6-F8 PolarHBondContact O-N 3.47Å; L6-L9 HydrophobicContact CB-CD1 4.39Å; L6-L9 HydrophobicContact CD2-CD1 3.68Å; L6-L9 WeakPolarHBondContact O-CB 3.29Å; L6-L9 PolarHBondContact O-N 3.29Å; L6-L28 HydrophobicContact CD2-CD2 4.37Å; L6-I32 HydrophobicContact CD2-CD1 4.02Å; L6-L60 HydrophobicContact CD1-CD1 4.15Å; L6-Y63 HydrophobicContact CB-CE1 3.72Å; L6-Y63 HydrophobicContact CD1-CD1 3.82Å; L6-Y63 HydrophobicContact CD1-CE1 3.68Å; L6-Y63 HydrophobicContact CD2-CE1 3.99Å; L6-Y63 HydrophobicContact CG-CE1 3.98Å; L6-Y63 PolarHBondContact O-OH 2.92Å; L6-Y63 VanDerWaalsContact O-OH 3.12Å; L6-L64 HydrophobicContact CD2-CD2 4.4Å
7	L	72.2	Confident	71.7	Confident	126 Å²	126	87.1 Å²	87.1	66%	0.66	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-66.5	-21.4	174.1	-61.7	174.7	0	0	0	113.4	C3 L4 F5 P10	C3-L7 PolarHBondContact O-N 3.46Å; L4-L7 HydrophobicContact CD2-CD1 4.11Å; L4-L7 WeakPolarHBondContact O-CB 3.43Å; L4-L7 PolarHBondContact O-N 3.19Å; F5-L7 PolarHBondContact O-N 3.4Å; L7-P10 WeakPolarHBondContact O-CD 3.43Å
8	F	75.7	Confident	72.3	Confident	126 Å²	126	87.2 Å²	87.2	55%	0.553	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-83.3	-14.6	176.3	-67.3	-81.2	0	0	0	112.8	L4 F5 L6 S11 L12	L4-F8 WeakPolarHBondContact O-CD2 3.38Å; L4-F8 WeakPolarHBondContact O-CE2 3.42Å; F5-F8 PolarHBondContact O-N 2.86Å; L6-F8 PolarHBondContact O-N 3.47Å; F8-S11 PolarHBondContact O-N 3.14Å; F8-S11 VanDerWaalsContact O-N 3.13Å; F8-S11 PolarHBondContact O-OG 3.22Å; F8-L12 PolarHBondContact O-N 3.21Å
9	L	78.5	Confident	73	Confident	0 Å²	0	88.7 Å²	88.7	0%	0	48%	0.484	C	S	.	.	H	α-helix	trans	-58.7	-44.6	-177.4	-66.1	179.2	0	0	0	114.3	F5 L6 S11 L12 W13 F24 L28 Y63 I67	F5-L9 HydrophobicContact CE1-CD2 4.49Å; L6-L9 HydrophobicContact CB-CD1 4.39Å; L6-L9 HydrophobicContact CD2-CD1 3.68Å; L6-L9 WeakPolarHBondContact O-CB 3.29Å; L6-L9 PolarHBondContact O-N 3.29Å; L9-S11 PolarHBondContact O-N 3.26Å; L9-L12 HydrophobicContact CD2-CD1 4.38Å; L9-L12 PolarHBondContact O-N 3Å; L9-L12 VanDerWaalsContact O-N 3.08Å; L9-W13 HydrophobicContact CB-CZ2 3.75Å; L9-W13 VanDerWaalsContact O-CD1 3.28Å; L9-W13 PolarHBondContact O-N 2.97Å; L9-W13 VanDerWaalsContact O-N 3.1Å; L9-F24 HydrophobicContact CD2-CD1 4.43Å; L9-F24 HydrophobicContact CD2-CE1 3.69Å; L9-L28 HydrophobicContact CD1-CD2 3.9Å; L9-L28 HydrophobicContact CD2-CD2 3.65Å; L9-L28 HydrophobicContact CG-CD2 4.3Å; L9-Y63 HydrophobicContact CD1-CE1 4.4Å; L9-I67 HydrophobicContact CD1-CD1 3.47Å; L9-I67 VanDerWaalsContact CD1-CD1 3.47Å
10	P	76.3	Confident	73.8	Confident	68 Å²	68	88.2 Å²	88.2	44%	0.442	48%	0.481	S	S	.	.	H	α-helix	trans	-59.6	-33.4	177.7	-23.9	35.1	0	0	0	112.9	L7 W13	L7-P10 WeakPolarHBondContact O-CD 3.43Å; P10-W13 PolarHBondContact O-N 3.22Å
11	S	78.4	Confident	74.3	Confident	63 Å²	63	84.6 Å²	84.6	44%	0.441	46%	0.461	S	S	.	.	H	α-helix	trans	-68.9	-38.1	177.9	72.3	0	0	0	0	112	F8 L9 W13 S14	F8-S11 PolarHBondContact O-N 3.14Å; F8-S11 VanDerWaalsContact O-N 3.13Å; F8-S11 PolarHBondContact O-OG 3.22Å; L9-S11 PolarHBondContact O-N 3.26Å; S11-W13 VanDerWaalsContact C-N 3.34Å; S11-W13 PolarHBondContact O-N 2.69Å; S11-S14 PolarHBondContact O-N 3.5Å; S11-S14 PolarHBondContact O-OG 3.45Å
12	L	75.9	Confident	76	Confident	60 Å²	60	78.2 Å²	78.2	31%	0.314	43%	0.43	S	S	.	.	H	α-helix	trans	-68	-35.3	176.9	-65.6	173.9	0	0	0	111.8	F8 L9 S14 V15 L16 F24	F8-L12 PolarHBondContact O-N 3.21Å; L9-L12 HydrophobicContact CD2-CD1 4.38Å; L9-L12 PolarHBondContact O-N 3Å; L9-L12 VanDerWaalsContact O-N 3.08Å; L12-S14 PolarHBondContact O-N 3.02Å; L12-V15 PolarHBondContact O-N 3.18Å; L12-L16 PolarHBondContact O-N 3.35Å; L12-F24 HydrophobicContact CD1-CD1 4.49Å; L12-F24 HydrophobicContact CD1-CE1 3.56Å; L12-F24 HydrophobicContact CD1-CZ 3.67Å
13	W	78.6	Confident	78.2	Confident	80 Å²	80	78.2 Å²	78.2	30%	0.303	42%	0.419	S	S	.	.	H	α-helix	trans	-63.9	-26	179.7	-58.6	-15.2	0	0	0	114.1	L9 P10 S11 V15 N21 I67	L9-W13 HydrophobicContact CB-CZ2 3.75Å; L9-W13 VanDerWaalsContact O-CD1 3.28Å; L9-W13 PolarHBondContact O-N 2.97Å; L9-W13 VanDerWaalsContact O-N 3.1Å; P10-W13 PolarHBondContact O-N 3.22Å; S11-W13 VanDerWaalsContact C-N 3.34Å; S11-W13 PolarHBondContact O-N 2.69Å; W13-V15 VanDerWaalsContact C-N 3.25Å; W13-V15 PolarHBondContact O-N 3.32Å; W13-N21 WeakPolarHBondContact CA-ND2 3.22Å; W13-N21 WeakPolarHBondContact CA-OD1 3.33Å; W13-N21 VanDerWaalsContact CD1-OD1 3.24Å; W13-N21 PolarHBondContact O-ND2 3.47Å; W13-N21 VanDerWaalsContact O-ND2 3.17Å; W13-I67 HydrophobicContact CH2-CB 3.37Å; W13-I67 HydrophobicContact CH2-CD1 4.34Å; W13-I67 HydrophobicContact CH2-CG1 4.45Å; W13-I67 HydrophobicContact CH2-CG2 3.3Å; W13-I67 HydrophobicContact CZ2-CB 3.44Å; W13-I67 VanDerWaalsContact CZ2-CB 3.44Å; W13-I67 HydrophobicContact CZ2-CD1 3.72Å; W13-I67 HydrophobicContact CZ2-CG1 4.14Å; W13-I67 HydrophobicContact CZ2-CG2 3.83Å; W13-I67 HydrophobicContact CZ3-CB 4.43Å; W13-I67 HydrophobicContact CZ3-CG2 4.33Å
14	S	80.4	Confident	79.5	Confident	101 Å²	101	77.4 Å²	77.4	71%	0.706	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.2	175.6	73.4	0	0	0	0	113.9	S11 L12	S11-S14 PolarHBondContact O-N 3.5Å; S11-S14 PolarHBondContact O-OG 3.45Å; L12-S14 PolarHBondContact O-N 3.02Å
15	V	86.4	Confident	80.6	Confident	120 Å²	120	72.3 Å²	72.3	73%	0.727	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-30.5	-173.4	-176.4	0	0	0	0	112.1	L12 W13	L12-V15 PolarHBondContact O-N 3.18Å; W13-V15 VanDerWaalsContact C-N 3.25Å; W13-V15 PolarHBondContact O-N 3.32Å
16	L	83	Confident	81.8	Confident	63 Å²	63	68.7 Å²	68.7	33%	0.33	37%	0.365	S	S	.	.	S	Bend	trans	-94.9	152.3	-176.9	-63.3	175.1	0	0	0	111.6	L12 N20 N21 F24	L12-L16 PolarHBondContact O-N 3.35Å; L16-N20 HydrophobicContact CB-CB 4.14Å; L16-N20 HydrophobicContact CD2-CB 4.38Å; L16-N21 WeakPolarHBondContact CB-OD1 3.47Å; L16-N21 WeakPolarHBondContact CD1-OD1 3.34Å; L16-N21 PolarHBondContact O-ND2 3.24Å; L16-N21 VanDerWaalsContact O-ND2 3.11Å; L16-F24 HydrophobicContact CD1-CB 4.41Å
17	S	86	Confident	82.7	Confident	61 Å²	61	73.6 Å²	73.6	43%	0.427	39%	0.39	S	S	.	.			trans	-64.4	156.9	167	66.8	0	0	0	0	110.6	E19 N20 N21	S17-E19 VanDerWaalsContact C-N 3.25Å; S17-E19 PolarHBondContact O-N 2.91Å; S17-N20 PolarHBondContact O-N 2.95Å; S17-N20 WeakPolarHBondContact OG-CB 3.36Å; S17-N20 VanDerWaalsContact OG-CG 3.28Å; S17-N20 PolarHBondContact OG-N 3.21Å; S17-N20 PolarHBondContact OG-ND2 2.98Å; S17-N21 PolarHBondContact O-N 3.25Å; S17-N21 PolarHBondContact O-ND2 3.21Å
18	T	83	Confident	83.5	Confident	89 Å²	89	68.6 Å²	68.6	55%	0.546	36%	0.364	S	S	.	.	H	α-helix	trans	-52.7	-42.5	178.9	-47.9	0	0	0	0	112.7	N21 D22 Y69	T18-N21 WeakPolarHBondContact O-CB 3.13Å; T18-N21 PolarHBondContact O-N 2.87Å; T18-D22 PolarHBondContact O-N 3.09Å; T18-Y69 HydrophobicContact CG2-CD2 4.11Å; T18-Y69 HydrophobicContact CG2-CE2 3.65Å
19	E	85.7	Confident	84.2	Confident	116 Å²	116	62.6 Å²	62.6	54%	0.542	34%	0.338	S	S	.	.	H	α-helix	trans	-67.4	-40.8	178.4	-172.7	179.2	-179.3	0	0	112.3	S17 N21 D22 R23	S17-E19 VanDerWaalsContact C-N 3.25Å; S17-E19 PolarHBondContact O-N 2.91Å; E19-N21 VanDerWaalsContact C-N 3.32Å; E19-D22 PolarHBondContact O-N 3.23Å; E19-R23 WeakPolarHBondContact O-CG 3.22Å; E19-R23 PolarHBondContact O-N 3.37Å; E19-R23 IonicContact OE1-CZ 2.77Å; E19-R23 IonicContact OE1-NE 3.57Å; E19-R23 IonicContact OE1-NH2 3.06Å; E19-R23 PolarHBondContact OE1-NH2 3.09Å
20	N	87.9	Confident	84.8	Confident	78 Å²	78	66.2 Å²	66.2	42%	0.417	36%	0.358	S	S	.	.	H	α-helix	trans	-68.3	-35	176.9	-72.8	-17.2	0	0	0	111.4	L16 S17 F24	L16-N20 HydrophobicContact CB-CB 4.14Å; L16-N20 HydrophobicContact CD2-CB 4.38Å; S17-N20 PolarHBondContact O-N 2.95Å; S17-N20 WeakPolarHBondContact OG-CB 3.36Å; S17-N20 VanDerWaalsContact OG-CG 3.28Å; S17-N20 PolarHBondContact OG-N 3.21Å; S17-N20 PolarHBondContact OG-ND2 2.98Å; N20-F24 WeakPolarHBondContact O-CB 3.44Å; N20-F24 PolarHBondContact O-N 3.34Å
21	N	84.1	Confident	85.5	Confident	14 Å²	14	67.6 Å²	67.6	8%	0.075	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-49.6	173.2	-81.2	-38.8	0	0	0	111.8	W13 L16 S17 T18 E19 R23 F24 V25	W13-N21 WeakPolarHBondContact CA-ND2 3.22Å; W13-N21 WeakPolarHBondContact CA-OD1 3.33Å; W13-N21 VanDerWaalsContact CD1-OD1 3.24Å; W13-N21 PolarHBondContact O-ND2 3.47Å; W13-N21 VanDerWaalsContact O-ND2 3.17Å; L16-N21 WeakPolarHBondContact CB-OD1 3.47Å; L16-N21 WeakPolarHBondContact CD1-OD1 3.34Å; L16-N21 PolarHBondContact O-ND2 3.24Å; L16-N21 VanDerWaalsContact O-ND2 3.11Å; S17-N21 PolarHBondContact O-N 3.25Å; S17-N21 PolarHBondContact O-ND2 3.21Å; T18-N21 WeakPolarHBondContact O-CB 3.13Å; T18-N21 PolarHBondContact O-N 2.87Å; E19-N21 VanDerWaalsContact C-N 3.32Å; N21-R23 PolarHBondContact O-N 3.04Å; N21-F24 PolarHBondContact O-N 3.18Å; N21-V25 WeakPolarHBondContact O-CB 3.39Å; N21-V25 VanDerWaalsContact O-CG2 3.28Å; N21-V25 WeakPolarHBondContact O-CG2 3.42Å; N21-V25 PolarHBondContact O-N 2.8Å
22	D	84.5	Confident	86.1	Confident	26 Å²	26	65.6 Å²	65.6	14%	0.139	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-46.2	179.9	-165.2	68.6	0	0	0	110.8	T18 E19 F24 V25 L26 Y69 S70	T18-D22 PolarHBondContact O-N 3.09Å; E19-D22 PolarHBondContact O-N 3.23Å; D22-F24 PolarHBondContact O-N 2.98Å; D22-V25 PolarHBondContact O-N 2.76Å; D22-L26 VanDerWaalsContact O-CG 3.32Å; D22-L26 WeakPolarHBondContact O-CG 3.32Å; D22-L26 PolarHBondContact O-N 2.84Å; D22-Y69 PolarHBondContact OD1-N 2.9Å; D22-S70 PolarHBondContact OD1-N 2.9Å; D22-S70 VanDerWaalsContact OD1-N 3.13Å; D22-S70 PolarHBondContact OD2-OG 3.49Å
23	R	87.6	Confident	86.9	Confident	142 Å²	142	63.2 Å²	63.2	54%	0.536	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-43	174.8	-70	178.1	-175.6	-161.4	4	112.8	E19 N21 L26 I27	E19-R23 WeakPolarHBondContact O-CG 3.22Å; E19-R23 PolarHBondContact O-N 3.37Å; E19-R23 IonicContact OE1-CZ 2.77Å; E19-R23 IonicContact OE1-NE 3.57Å; E19-R23 IonicContact OE1-NH2 3.06Å; E19-R23 PolarHBondContact OE1-NH2 3.09Å; N21-R23 PolarHBondContact O-N 3.04Å; R23-L26 PolarHBondContact O-N 3.39Å; R23-I27 WeakPolarHBondContact O-CG1 3.44Å; R23-I27 PolarHBondContact O-N 3Å
24	F	87.4	Confident	87.5	Confident	64 Å²	64	64 Å²	64	28%	0.281	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-44.5	177.6	176.8	-99.7	0	0	0	111.5	L9 L12 L16 N20 N21 D22 L26 I27 L28	L9-F24 HydrophobicContact CD2-CD1 4.43Å; L9-F24 HydrophobicContact CD2-CE1 3.69Å; L12-F24 HydrophobicContact CD1-CD1 4.49Å; L12-F24 HydrophobicContact CD1-CE1 3.56Å; L12-F24 HydrophobicContact CD1-CZ 3.67Å; L16-F24 HydrophobicContact CD1-CB 4.41Å; N20-F24 WeakPolarHBondContact O-CB 3.44Å; N20-F24 PolarHBondContact O-N 3.34Å; N21-F24 PolarHBondContact O-N 3.18Å; D22-F24 PolarHBondContact O-N 2.98Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 3.18Å; F24-I27 PolarHBondContact O-N 2.89Å; F24-L28 WeakPolarHBondContact O-CB 3.42Å; F24-L28 PolarHBondContact O-N 3.4Å
25	V	85.3	Confident	88.1	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-43.5	175.9	169.1	0	0	0	0	110.6	N21 D22 I27 L28 I29 I67	N21-V25 WeakPolarHBondContact O-CB 3.39Å; N21-V25 VanDerWaalsContact O-CG2 3.28Å; N21-V25 WeakPolarHBondContact O-CG2 3.42Å; N21-V25 PolarHBondContact O-N 2.8Å; D22-V25 PolarHBondContact O-N 2.76Å; V25-I27 PolarHBondContact O-N 3.45Å; V25-L28 PolarHBondContact O-N 3.12Å; V25-I29 HydrophobicContact CG1-CD1 3.57Å; V25-I29 HydrophobicContact CG1-CG1 4.3Å; V25-I29 WeakPolarHBondContact O-CB 3.5Å; V25-I29 WeakPolarHBondContact O-CD1 3.28Å; V25-I29 WeakPolarHBondContact O-CG1 3.31Å; V25-I29 PolarHBondContact O-N 3.17Å; V25-I67 HydrophobicContact CG1-CD1 4.35Å; V25-I67 HydrophobicContact CG1-CG1 4.46Å; V25-I67 HydrophobicContact CG2-CD1 4.39Å
26	L	90	Very high	88.3	Confident	28 Å²	28	58.9 Å²	58.9	15%	0.147	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-42.6	176.5	-68.6	176	0	0	0	113.2	D22 R23 F24 L28 I29 N30 L72 Y75	D22-L26 VanDerWaalsContact O-CG 3.32Å; D22-L26 WeakPolarHBondContact O-CG 3.32Å; D22-L26 PolarHBondContact O-N 2.84Å; R23-L26 PolarHBondContact O-N 3.39Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 3.18Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-I29 PolarHBondContact O-N 3.31Å; L26-N30 PolarHBondContact O-N 3.05Å; L26-N30 VanDerWaalsContact O-N 3.13Å; L26-N30 PolarHBondContact O-ND2 3.04Å; L26-L72 HydrophobicContact CD2-CD2 3.63Å; L26-Y75 HydrophobicContact CD2-CE2 3.81Å
27	I	90.5	Very high	88.7	Confident	119 Å²	119	56.7 Å²	56.7	61%	0.61	28%	0.282	S	S	*	.	H	α-helix	trans	-62.2	-45.5	175.1	-68.1	166.3	0	0	0	110.2	R23 F24 V25 I29 N30 E31	R23-I27 WeakPolarHBondContact O-CG1 3.44Å; R23-I27 PolarHBondContact O-N 3Å; F24-I27 PolarHBondContact O-N 2.89Å; V25-I27 PolarHBondContact O-N 3.45Å; I27-I29 VanDerWaalsContact C-N 3.35Å; I27-I29 PolarHBondContact O-N 3.18Å; I27-N30 PolarHBondContact O-N 3.25Å; I27-E31 PolarHBondContact O-N 3.13Å
28	L	88.4	Confident	89	Confident	21 Å²	21	56 Å²	56	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-42.1	179.1	179.4	64.4	0	0	0	112.2	F5 L6 L9 F24 V25 L26 N30 E31 I32	F5-L28 HydrophobicContact CD1-CD1 3.94Å; F5-L28 HydrophobicContact CD1-CD2 4.2Å; F5-L28 HydrophobicContact CE1-CD1 3.41Å; F5-L28 VanDerWaalsContact CE1-CD1 3.41Å; F5-L28 HydrophobicContact CE1-CD2 3.73Å; F5-L28 HydrophobicContact CE1-CG 4.22Å; F5-L28 HydrophobicContact CZ-CD1 4.31Å; L6-L28 HydrophobicContact CD2-CD2 4.37Å; L9-L28 HydrophobicContact CD1-CD2 3.9Å; L9-L28 HydrophobicContact CD2-CD2 3.65Å; L9-L28 HydrophobicContact CG-CD2 4.3Å; F24-L28 WeakPolarHBondContact O-CB 3.42Å; F24-L28 PolarHBondContact O-N 3.4Å; V25-L28 PolarHBondContact O-N 3.12Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L28-N30 VanDerWaalsContact C-N 3.34Å; L28-N30 PolarHBondContact O-N 3.49Å; L28-E31 PolarHBondContact O-N 3.35Å; L28-I32 HydrophobicContact CD1-CD1 3.99Å; L28-I32 HydrophobicContact CD1-CG1 4.15Å; L28-I32 HydrophobicContact CD2-CD1 4.28Å; L28-I32 HydrophobicContact CG-CD1 3.72Å; L28-I32 HydrophobicContact CG-CG1 4.29Å; L28-I32 WeakPolarHBondContact O-CB 3.32Å; L28-I32 VanDerWaalsContact O-CG1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.36Å; L28-I32 PolarHBondContact O-N 2.97Å
29	I	89.7	Confident	89.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-47.6	177	-72.5	160.4	0	0	0	110.4	V25 L26 I27 E31 I32 L33 L64 L72 F76	V25-I29 HydrophobicContact CG1-CD1 3.57Å; V25-I29 HydrophobicContact CG1-CG1 4.3Å; V25-I29 WeakPolarHBondContact O-CB 3.5Å; V25-I29 WeakPolarHBondContact O-CD1 3.28Å; V25-I29 WeakPolarHBondContact O-CG1 3.31Å; V25-I29 PolarHBondContact O-N 3.17Å; L26-I29 PolarHBondContact O-N 3.31Å; I27-I29 VanDerWaalsContact C-N 3.35Å; I27-I29 PolarHBondContact O-N 3.18Å; I29-E31 VanDerWaalsContact C-N 3.31Å; I29-E31 PolarHBondContact O-N 2.86Å; I29-I32 PolarHBondContact O-N 3.26Å; I29-L33 HydrophobicContact CG2-CD1 3.74Å; I29-L33 HydrophobicContact CG2-CG 4.3Å; I29-L33 WeakPolarHBondContact O-CB 3.4Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.26Å; I29-L33 PolarHBondContact O-N 2.82Å; I29-L64 HydrophobicContact CD1-CB 4.4Å; I29-L64 HydrophobicContact CG1-CB 4.33Å; I29-L64 HydrophobicContact CG1-CD1 4.08Å; I29-L64 HydrophobicContact CG1-CD2 3.93Å; I29-L64 HydrophobicContact CG1-CG 4.33Å; I29-L72 HydrophobicContact CD1-CD1 3.4Å; I29-L72 HydrophobicContact CD1-CD2 3.45Å; I29-L72 VanDerWaalsContact CD1-CD2 3.45Å; I29-L72 HydrophobicContact CD1-CG 4.02Å; I29-L72 HydrophobicContact CG1-CD1 4.45Å; I29-F76 HydrophobicContact CG2-CE2 3.65Å; I29-F76 HydrophobicContact CG2-CZ 4.25Å
30	N	91.6	Very high	89.7	Confident	77 Å²	77	52 Å²	52	41%	0.412	25%	0.248	S	C	.	.	H	α-helix	trans	-58.2	-44.9	177.3	-78.6	-50.9	0	0	0	111.8	L26 I27 L28 L33 H34 Y75	L26-N30 PolarHBondContact O-N 3.05Å; L26-N30 VanDerWaalsContact O-N 3.13Å; L26-N30 PolarHBondContact O-ND2 3.04Å; I27-N30 PolarHBondContact O-N 3.25Å; L28-N30 VanDerWaalsContact C-N 3.34Å; L28-N30 PolarHBondContact O-N 3.49Å; N30-L33 PolarHBondContact O-N 3.38Å; N30-H34 VanDerWaalsContact O-CB 3.28Å; N30-H34 WeakPolarHBondContact O-CB 3.43Å; N30-H34 PolarHBondContact O-N 3.44Å; N30-Y75 WeakPolarHBondContact OD1-CD1 3.31Å
31	E	91.8	Very high	89.9	Confident	96 Å²	96	54 Å²	54	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-64.6	-45.5	178.1	-177	56.8	-151.9	0	0	111.8	I27 L28 I29 L33 H34 Q35	I27-E31 PolarHBondContact O-N 3.13Å; L28-E31 PolarHBondContact O-N 3.35Å; I29-E31 VanDerWaalsContact C-N 3.31Å; I29-E31 PolarHBondContact O-N 2.86Å; E31-L33 VanDerWaalsContact C-N 3.35Å; E31-L33 PolarHBondContact O-N 2.75Å; E31-H34 PolarHBondContact O-N 2.78Å; E31-Q35 WeakPolarHBondContact O-CG 3.32Å; E31-Q35 PolarHBondContact O-N 3.44Å; E31-Q35 WeakPolarHBondContact OE1-CG 3.32Å; E31-Q35 PolarHBondContact OE1-NE2 2.93Å
32	I	90.1	Very high	90.3	Very high	22 Å²	22	62.9 Å²	62.9	11%	0.113	29%	0.287	C	S	.	.	H	α-helix	trans	-59.7	-46.6	177.9	-71.1	170.4	0	0	0	110.8	M1 L6 L28 I29 Q35 L36 L60	M1-I32 HydrophobicContact CE-CG2 3.85Å; L6-I32 HydrophobicContact CD2-CD1 4.02Å; L28-I32 HydrophobicContact CD1-CD1 3.99Å; L28-I32 HydrophobicContact CD1-CG1 4.15Å; L28-I32 HydrophobicContact CD2-CD1 4.28Å; L28-I32 HydrophobicContact CG-CD1 3.72Å; L28-I32 HydrophobicContact CG-CG1 4.29Å; L28-I32 WeakPolarHBondContact O-CB 3.32Å; L28-I32 VanDerWaalsContact O-CG1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.36Å; L28-I32 PolarHBondContact O-N 2.97Å; I29-I32 PolarHBondContact O-N 3.26Å; I32-Q35 PolarHBondContact O-N 3.45Å; I32-L36 HydrophobicContact CG2-CD1 4.02Å; I32-L36 WeakPolarHBondContact O-CB 3.44Å; I32-L36 WeakPolarHBondContact O-CG 3.33Å; I32-L36 PolarHBondContact O-N 3.24Å; I32-L60 HydrophobicContact CG2-CD2 3.8Å
33	L	91.8	Very high	90.6	Very high	10 Å²	10	67.2 Å²	67.2	5%	0.052	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-38.1	179.8	-70	175.9	0	0	0	111.9	I29 N30 E31 L36 D37 Y57 Y75 F76	I29-L33 HydrophobicContact CG2-CD1 3.74Å; I29-L33 HydrophobicContact CG2-CG 4.3Å; I29-L33 WeakPolarHBondContact O-CB 3.4Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.26Å; I29-L33 PolarHBondContact O-N 2.82Å; N30-L33 PolarHBondContact O-N 3.38Å; E31-L33 VanDerWaalsContact C-N 3.35Å; E31-L33 PolarHBondContact O-N 2.75Å; L33-L36 HydrophobicContact CD2-CD1 4.48Å; L33-L36 WeakPolarHBondContact O-CB 3.5Å; L33-L36 PolarHBondContact O-N 2.96Å; L33-D37 WeakPolarHBondContact O-CB 3.49Å; L33-D37 PolarHBondContact O-N 3.41Å; L33-Y57 HydrophobicContact CD2-CE2 3.7Å; L33-Y75 WeakPolarHBondContact CD1-O 3.41Å; L33-F76 HydrophobicContact CD1-CD2 3.97Å; L33-F76 HydrophobicContact CD1-CE2 3.98Å; L33-F76 HydrophobicContact CD1-CG 4.33Å; L33-F76 HydrophobicContact CD1-CZ 4.3Å; L33-F76 HydrophobicContact CD2-CD1 4.03Å; L33-F76 HydrophobicContact CD2-CE1 3.82Å; L33-F76 HydrophobicContact CD2-CG 4.43Å; L33-F76 HydrophobicContact CD2-CZ 4.08Å; L33-F76 HydrophobicContact CG-CZ 4.43Å
34	H	91.8	Very high	90.9	Very high	97 Å²	97	66.2 Å²	66.2	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-47.8	174.9	-179.6	58.6	0	0	0	111.9	N30 E31 L36 D37 L38	N30-H34 VanDerWaalsContact O-CB 3.28Å; N30-H34 WeakPolarHBondContact O-CB 3.43Å; N30-H34 PolarHBondContact O-N 3.44Å; E31-H34 PolarHBondContact O-N 2.78Å; H34-L36 VanDerWaalsContact C-N 3.32Å; H34-L36 PolarHBondContact O-N 3.06Å; H34-D37 PolarHBondContact O-N 2.93Å; H34-L38 WeakPolarHBondContact O-CG 3.45Å; H34-L38 PolarHBondContact O-N 2.96Å
35	Q	92.3	Very high	91.1	Very high	98 Å²	98	66.1 Å²	66.1	46%	0.458	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-37.8	177.3	-67.1	-60.7	-27.4	0	0	112.3	E31 I32 F39	E31-Q35 WeakPolarHBondContact O-CG 3.32Å; E31-Q35 PolarHBondContact O-N 3.44Å; E31-Q35 WeakPolarHBondContact OE1-CG 3.32Å; E31-Q35 PolarHBondContact OE1-NE2 2.93Å; I32-Q35 PolarHBondContact O-N 3.45Å; Q35-F39 WeakPolarHBondContact O-CB 3.48Å; Q35-F39 PolarHBondContact O-N 3.47Å
36	L	91.5	Very high	91.6	Very high	15 Å²	15	69.7 Å²	69.7	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-60.1	-46.6	173	-89.2	171.2	0	0	0	111.7	M1 I32 L33 H34 F39 I40 Y57 L60	M1-L36 HydrophobicContact CE-CD1 4.11Å; M1-L36 HydrophobicContact CE-CD2 4.13Å; M1-L36 HydrophobicContact CE-CG 3.95Å; M1-L36 HydrophobicContact SD-CD1 4.25Å; M1-L36 HydrophobicContact SD-CD2 3.31Å; M1-L36 WeakPolarHBondContact SD-CD2 3.3Å; M1-L36 HydrophobicContact SD-CG 3.83Å; I32-L36 HydrophobicContact CG2-CD1 4.02Å; I32-L36 WeakPolarHBondContact O-CB 3.44Å; I32-L36 WeakPolarHBondContact O-CG 3.33Å; I32-L36 PolarHBondContact O-N 3.24Å; L33-L36 HydrophobicContact CD2-CD1 4.48Å; L33-L36 WeakPolarHBondContact O-CB 3.5Å; L33-L36 PolarHBondContact O-N 2.96Å; H34-L36 VanDerWaalsContact C-N 3.32Å; H34-L36 PolarHBondContact O-N 3.06Å; L36-F39 PolarHBondContact O-N 3.3Å; L36-I40 WeakPolarHBondContact O-CB 3.4Å; L36-I40 WeakPolarHBondContact O-CD1 3.23Å; L36-I40 VanDerWaalsContact O-CG1 3.22Å; L36-I40 WeakPolarHBondContact O-CG1 3.43Å; L36-I40 PolarHBondContact O-N 2.91Å; L36-Y57 HydrophobicContact CD1-CD2 4.48Å; L36-L60 HydrophobicContact CD1-CD2 3.5Å; L36-L60 VanDerWaalsContact CD1-CD2 3.5Å
37	D	91	Very high	91.7	Very high	16 Å²	16	73 Å²	73	9%	0.086	36%	0.355	C	S	.	.	H	α-helix	trans	-60.9	-47.8	178.9	-165.5	56.4	0	0	0	111.7	L33 H34 F39 I40 Q41 R78	L33-D37 WeakPolarHBondContact O-CB 3.49Å; L33-D37 PolarHBondContact O-N 3.41Å; H34-D37 PolarHBondContact O-N 2.93Å; D37-F39 VanDerWaalsContact C-N 3.28Å; D37-F39 PolarHBondContact O-N 3.14Å; D37-I40 PolarHBondContact O-N 2.77Å; D37-Q41 VanDerWaalsContact O-CG 3.32Å; D37-Q41 WeakPolarHBondContact O-CG 3.47Å; D37-Q41 PolarHBondContact O-N 3.06Å; D37-Q41 PolarHBondContact OD2-NE2 3.4Å; D37-Q41 VanDerWaalsContact OD2-NE2 3.09Å; D37-R78 IonicContact OD1-CZ 3.38Å; D37-R78 IonicContact OD1-NH1 3.5Å; D37-R78 PolarHBondContact OD1-NH1 3.22Å; D37-R78 IonicContact OD1-NH2 2.67Å; D37-R78 PolarHBondContact OD1-NH2 2.91Å; D37-R78 IonicContact OD2-CZ 3.3Å; D37-R78 IonicContact OD2-NH1 3.11Å; D37-R78 PolarHBondContact OD2-NH1 3.34Å; D37-R78 IonicContact OD2-NH2 2.69Å; D37-R78 PolarHBondContact OD2-NH2 3.17Å
38	L	92.5	Very high	91.9	Very high	46 Å²	46	75.5 Å²	75.5	24%	0.241	36%	0.361	C	S	.	.	H	α-helix	trans	-60.3	-37.3	175.3	-68.9	179.2	0	0	0	112.6	H34 R42	H34-L38 WeakPolarHBondContact O-CG 3.45Å; H34-L38 PolarHBondContact O-N 2.96Å; L38-R42 WeakPolarHBondContact O-CD 3.37Å; L38-R42 VanDerWaalsContact O-CG 3.29Å; L38-R42 WeakPolarHBondContact O-CG 3.28Å
39	F	92.1	Very high	92.3	Very high	113 Å²	113	75.7 Å²	75.7	50%	0.496	37%	0.368	S	S	.	.	H	α-helix	trans	-68.8	-45.5	177.2	179.5	-94.9	0	0	0	111.4	Q35 L36 D37 Q41 R42 K43	Q35-F39 WeakPolarHBondContact O-CB 3.48Å; Q35-F39 PolarHBondContact O-N 3.47Å; L36-F39 PolarHBondContact O-N 3.3Å; D37-F39 VanDerWaalsContact C-N 3.28Å; D37-F39 PolarHBondContact O-N 3.14Å; F39-Q41 PolarHBondContact O-N 3.08Å; F39-R42 PolarHBondContact O-N 3.17Å; F39-K43 HydrophobicContact CD1-CG 4.33Å; F39-K43 HydrophobicContact CE1-CG 3.97Å; F39-K43 HydrophobicContact CE2-CG 4.29Å; F39-K43 HydrophobicContact CZ-CD 4.3Å; F39-K43 HydrophobicContact CZ-CG 3.95Å; F39-K43 VanDerWaalsContact O-CG 3.3Å; F39-K43 WeakPolarHBondContact O-CG 3.35Å
40	I	92.7	Very high	92.5	Very high	10 Å²	10	75.7 Å²	75.7	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-60.7	-46	179.5	-70.6	164.4	0	0	0	110.4	L36 D37 R42 K43 F45 L53 V82 L86	L36-I40 WeakPolarHBondContact O-CB 3.4Å; L36-I40 WeakPolarHBondContact O-CD1 3.23Å; L36-I40 VanDerWaalsContact O-CG1 3.22Å; L36-I40 WeakPolarHBondContact O-CG1 3.43Å; L36-I40 PolarHBondContact O-N 2.91Å; D37-I40 PolarHBondContact O-N 2.77Å; I40-R42 PolarHBondContact O-N 2.8Å; I40-R42 VanDerWaalsContact O-N 3.1Å; I40-K43 PolarHBondContact O-N 2.69Å; I40-K43 VanDerWaalsContact O-N 3.11Å; I40-F45 HydrophobicContact CB-CE2 4.43Å; I40-F45 HydrophobicContact CB-CZ 4.42Å; I40-F45 HydrophobicContact CG1-CZ 4.2Å; I40-F45 HydrophobicContact CG2-CE2 3.9Å; I40-F45 HydrophobicContact CG2-CZ 4.26Å; I40-L53 HydrophobicContact CD1-CD1 4.26Å; I40-L53 HydrophobicContact CD1-CD2 3.89Å; I40-L53 HydrophobicContact CG1-CD1 4.29Å; I40-L53 HydrophobicContact CG1-CD2 3.89Å; I40-V82 HydrophobicContact CG2-CG1 3.8Å; I40-L86 HydrophobicContact CG2-CD1 3.74Å
41	Q	90.5	Very high	92.7	Very high	119 Å²	119	75.8 Å²	75.8	56%	0.556	37%	0.368	S	S	*	.	H	α-helix	trans	-59.7	-23.9	179.2	-73	174.1	5.4	0	0	114.1	D37 F39	D37-Q41 VanDerWaalsContact O-CG 3.32Å; D37-Q41 WeakPolarHBondContact O-CG 3.47Å; D37-Q41 PolarHBondContact O-N 3.06Å; D37-Q41 PolarHBondContact OD2-NE2 3.4Å; D37-Q41 VanDerWaalsContact OD2-NE2 3.09Å; F39-Q41 PolarHBondContact O-N 3.08Å
42	R	92.4	Very high	92.9	Very high	201 Å²	201	75.6 Å²	75.6	76%	0.758	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	0	-177.8	-67	173.3	-175.5	-179.5	3.2	113.6	L38 F39 I40	L38-R42 WeakPolarHBondContact O-CD 3.37Å; L38-R42 VanDerWaalsContact O-CG 3.29Å; L38-R42 WeakPolarHBondContact O-CG 3.28Å; F39-R42 PolarHBondContact O-N 3.17Å; I40-R42 PolarHBondContact O-N 2.8Å; I40-R42 VanDerWaalsContact O-N 3.1Å
43	K	92.2	Very high	93.1	Very high	117 Å²	117	75.7 Å²	75.7	51%	0.509	37%	0.367	S	S	.	.			trans	-121.6	146.9	-172.2	-66.6	-66.6	-176.1	-177.5	0	111.1	F39 I40 F45	F39-K43 HydrophobicContact CD1-CG 4.33Å; F39-K43 HydrophobicContact CE1-CG 3.97Å; F39-K43 HydrophobicContact CE2-CG 4.29Å; F39-K43 HydrophobicContact CZ-CD 4.3Å; F39-K43 HydrophobicContact CZ-CG 3.95Å; F39-K43 VanDerWaalsContact O-CG 3.3Å; F39-K43 WeakPolarHBondContact O-CG 3.35Å; I40-K43 PolarHBondContact O-N 2.69Å; I40-K43 VanDerWaalsContact O-N 3.11Å; K43-F45 HydrophobicContact CB-CE2 3.77Å; K43-F45 HydrophobicContact CB-CZ 3.91Å
44	S	92.6	Very high	93.2	Very high	121 Å²	121	77.5 Å²	77.5	85%	0.846	38%	0.376	S	S	*	.			trans	-93.2	136.2	166	58	0	0	0	0	109.5
45	F	92.6	Very high	93.3	Very high	61 Å²	61	78.5 Å²	78.5	27%	0.268	38%	0.379	S	S	.	.			trans	-111.6	135.6	179.3	-64.9	-92.6	0	0	0	110.4	I40 K43 A50 L53 L86	I40-F45 HydrophobicContact CB-CE2 4.43Å; I40-F45 HydrophobicContact CB-CZ 4.42Å; I40-F45 HydrophobicContact CG1-CZ 4.2Å; I40-F45 HydrophobicContact CG2-CE2 3.9Å; I40-F45 HydrophobicContact CG2-CZ 4.26Å; K43-F45 HydrophobicContact CB-CE2 3.77Å; K43-F45 HydrophobicContact CB-CZ 3.91Å; F45-A50 HydrophobicContact CB-CB 4.33Å; F45-L53 HydrophobicContact CD1-CD2 4.28Å; F45-L53 HydrophobicContact CE1-CB 4.26Å; F45-L53 HydrophobicContact CE1-CD1 4.49Å; F45-L53 HydrophobicContact CE1-CD2 3.7Å; F45-L53 HydrophobicContact CE1-CG 4.37Å; F45-L53 HydrophobicContact CZ-CD2 3.86Å; F45-L86 HydrophobicContact CD2-CD1 3.97Å; F45-L86 HydrophobicContact CD2-CD2 3.99Å; F45-L86 HydrophobicContact CE2-CD1 4.11Å; F45-L86 HydrophobicContact CG-CD1 4.38Å
46	S	94.8	Very high	93.3	Very high	76 Å²	76	78.6 Å²	78.6	53%	0.531	38%	0.379	S	S	.	.			trans	-79.7	167.6	160.7	66.8	0	0	0	0	109.5	F48 G49 A50	S46-F48 VanDerWaalsContact C-N 3.29Å; S46-F48 PolarHBondContact O-N 3.03Å; S46-G49 CarbonylContact O-C 3.58Å; S46-G49 WeakPolarHBondContact O-CA 3.47Å; S46-G49 PolarHBondContact O-N 2.94Å; S46-G49 PolarHBondContact OG-N 3.11Å; S46-G49 VanDerWaalsContact OG-N 3.15Å; S46-A50 PolarHBondContact O-N 3.41Å
47	R	93.1	Very high	93.4	Very high	99 Å²	99	78.3 Å²	78.3	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-52.5	-47.3	175.3	-176.7	56.2	167.3	149.3	-15.7	112.3	G49 A50 I51 N87 D89	R47-G49 VanDerWaalsContact C-N 3.34Å; R47-G49 PolarHBondContact O-N 2.94Å; R47-A50 PolarHBondContact O-N 3.31Å; R47-I51 HydrophobicContact CG-CD1 4.26Å; R47-I51 WeakPolarHBondContact O-CG1 3.43Å; R47-I51 PolarHBondContact O-N 3.24Å; R47-I51 VanDerWaalsContact O-N 3.14Å; R47-N87 VanDerWaalsContact CZ-O 3.25Å; R47-N87 VanDerWaalsContact NH1-CB 3.34Å; R47-N87 PolarHBondContact NH1-O 3.01Å; R47-N87 PolarHBondContact NH1-OD1 3.24Å; R47-N87 PolarHBondContact NH2-O 3.18Å; R47-N87 VanDerWaalsContact NH2-O 3.13Å; R47-D89 IonicContact CZ-OD1 3.4Å; R47-D89 VanDerWaalsContact CZ-OD1 3.3Å; R47-D89 IonicContact NE-OD1 3.26Å; R47-D89 PolarHBondContact NE-OD1 3.43Å; R47-D89 IonicContact NH2-OD1 2.8Å; R47-D89 PolarHBondContact NH2-OD1 2.87Å; R47-D89 IonicContact NH2-OD2 3.3Å
48	F	95.6	Very high	93.4	Very high	171 Å²	171	81.7 Å²	81.7	75%	0.75	39%	0.392	S	S	*	.	H	α-helix	trans	-65.4	-36.2	175.9	-65.8	-74.2	0	0	0	112.7	S46 I51 Q52	S46-F48 VanDerWaalsContact C-N 3.29Å; S46-F48 PolarHBondContact O-N 3.03Å; F48-I51 PolarHBondContact O-N 3.45Å; F48-Q52 WeakPolarHBondContact O-CB 3.27Å; F48-Q52 PolarHBondContact O-N 3.26Å
49	G	95.4	Very high	93.4	Very high	25 Å²	25	83.6 Å²	83.6	26%	0.258	40%	0.403	S	S	.	.	H	α-helix	trans	-65.4	-40.4	176.4	0	0	0	0	0	112.9	S46 R47 Q52 L53	S46-G49 CarbonylContact O-C 3.58Å; S46-G49 WeakPolarHBondContact O-CA 3.47Å; S46-G49 PolarHBondContact O-N 2.94Å; S46-G49 PolarHBondContact OG-N 3.11Å; S46-G49 VanDerWaalsContact OG-N 3.15Å; R47-G49 VanDerWaalsContact C-N 3.34Å; R47-G49 PolarHBondContact O-N 2.94Å; G49-Q52 PolarHBondContact O-N 2.91Å; G49-L53 WeakPolarHBondContact O-CB 3.28Å; G49-L53 PolarHBondContact O-N 3.34Å
50	A	95.4	Very high	93.3	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-65.9	-42	175.9	0	0	0	0	0	112	F45 S46 R47 L53 E54 L86 N87	F45-A50 HydrophobicContact CB-CB 4.33Å; S46-A50 PolarHBondContact O-N 3.41Å; R47-A50 PolarHBondContact O-N 3.31Å; A50-L53 PolarHBondContact O-N 3.28Å; A50-E54 PolarHBondContact O-N 3.3Å; A50-L86 HydrophobicContact CB-CB 3.94Å; A50-L86 WeakPolarHBondContact CB-O 3.4Å; A50-N87 WeakPolarHBondContact CB-OD1 3.34Å; A50-N87 PolarHBondContact O-ND2 2.99Å
51	I	95.6	Very high	93.2	Very high	78 Å²	78	81.3 Å²	81.3	40%	0.4	39%	0.393	S	S	.	.	H	α-helix	trans	-64	-44.1	175.7	-66.2	168	0	0	0	110.6	R47 F48 L53 E54 K55 N87	R47-I51 HydrophobicContact CG-CD1 4.26Å; R47-I51 WeakPolarHBondContact O-CG1 3.43Å; R47-I51 PolarHBondContact O-N 3.24Å; R47-I51 VanDerWaalsContact O-N 3.14Å; F48-I51 PolarHBondContact O-N 3.45Å; I51-L53 VanDerWaalsContact C-N 3.35Å; I51-L53 PolarHBondContact O-N 2.87Å; I51-E54 PolarHBondContact O-N 3.29Å; I51-K55 PolarHBondContact O-N 3.28Å; I51-N87 VanDerWaalsContact CG1-OD1 3.26Å; I51-N87 WeakPolarHBondContact CG1-OD1 3.14Å; I51-N87 PolarHBondContact N-OD1 3.25Å
52	Q	95.2	Very high	93.2	Very high	92 Å²	92	78.5 Å²	78.5	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-41.5	177.5	-175.5	63.1	27	0	0	111.4	F48 G49 K55 E56	F48-Q52 WeakPolarHBondContact O-CB 3.27Å; F48-Q52 PolarHBondContact O-N 3.26Å; G49-Q52 PolarHBondContact O-N 2.91Å; Q52-K55 PolarHBondContact O-N 2.95Å; Q52-E56 PolarHBondContact NE2-OE1 3.49Å; Q52-E56 WeakPolarHBondContact O-CG 3.26Å; Q52-E56 PolarHBondContact O-N 3.19Å
53	L	94	Very high	93.1	Very high	24 Å²	24	72.5 Å²	72.5	13%	0.126	37%	0.368	C	S	.	.	H	α-helix	trans	-58.6	-48.5	175.8	176.3	69.3	0	0	0	111.4	I40 F45 G49 A50 I51 K55 E56 Y57 L86	I40-L53 HydrophobicContact CD1-CD1 4.26Å; I40-L53 HydrophobicContact CD1-CD2 3.89Å; I40-L53 HydrophobicContact CG1-CD1 4.29Å; I40-L53 HydrophobicContact CG1-CD2 3.89Å; F45-L53 HydrophobicContact CD1-CD2 4.28Å; F45-L53 HydrophobicContact CE1-CB 4.26Å; F45-L53 HydrophobicContact CE1-CD1 4.49Å; F45-L53 HydrophobicContact CE1-CD2 3.7Å; F45-L53 HydrophobicContact CE1-CG 4.37Å; F45-L53 HydrophobicContact CZ-CD2 3.86Å; G49-L53 WeakPolarHBondContact O-CB 3.28Å; G49-L53 PolarHBondContact O-N 3.34Å; A50-L53 PolarHBondContact O-N 3.28Å; I51-L53 VanDerWaalsContact C-N 3.35Å; I51-L53 PolarHBondContact O-N 2.87Å; L53-K55 VanDerWaalsContact C-N 3.3Å; L53-K55 PolarHBondContact O-N 3.43Å; L53-E56 PolarHBondContact O-N 2.91Å; L53-Y57 WeakPolarHBondContact O-CB 3.32Å; L53-Y57 PolarHBondContact O-N 3.46Å; L53-L86 HydrophobicContact CD2-CD1 3.65Å
54	E	94.3	Very high	92.8	Very high	48 Å²	48	67 Å²	67	22%	0.224	34%	0.344	C	S	.	.	H	α-helix	trans	-59.8	-41	178.6	-177.3	174.2	-145.5	0	0	111.6	A50 I51 Y57 H58 C83 N87	A50-E54 PolarHBondContact O-N 3.3Å; I51-E54 PolarHBondContact O-N 3.29Å; E54-Y57 WeakPolarHBondContact O-CB 3.21Å; E54-Y57 PolarHBondContact O-N 3.43Å; E54-H58 PolarHBondContact O-CD2 2.98Å; E54-H58 PolarHBondContact O-N 3.41Å; E54-C83 HydrophobicContact CB-CB 4.29Å; E54-C83 HydrophobicContact CG-CB 4.38Å; E54-N87 PolarHBondContact OE2-ND2 2.9Å
55	K	94.3	Very high	92.6	Very high	119 Å²	119	64.1 Å²	64.1	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-47.9	174.7	-178.2	-179.5	176	-178.2	0	112.6	I51 Q52 L53 Y57 H58 N59	I51-K55 PolarHBondContact O-N 3.28Å; Q52-K55 PolarHBondContact O-N 2.95Å; L53-K55 VanDerWaalsContact C-N 3.3Å; L53-K55 PolarHBondContact O-N 3.43Å; K55-Y57 VanDerWaalsContact C-N 3.25Å; K55-Y57 PolarHBondContact O-N 3.13Å; K55-H58 PolarHBondContact O-N 3.47Å; K55-N59 VanDerWaalsContact O-CG 3.3Å; K55-N59 PolarHBondContact O-N 3.35Å; K55-N59 PolarHBondContact O-ND2 2.94Å
56	E	92.4	Very high	92.3	Very high	100 Å²	100	65.5 Å²	65.5	47%	0.467	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-37.8	176.9	-68.5	-55.5	146.1	0	0	111.4	Q52 L53 N59 L60	Q52-E56 PolarHBondContact NE2-OE1 3.49Å; Q52-E56 WeakPolarHBondContact O-CG 3.26Å; Q52-E56 PolarHBondContact O-N 3.19Å; L53-E56 PolarHBondContact O-N 2.91Å; E56-N59 PolarHBondContact O-N 2.75Å; E56-L60 WeakPolarHBondContact O-CB 3.1Å; E56-L60 PolarHBondContact O-N 3.49Å
57	Y	92.1	Very high	91.7	Very high	9 Å²	9	63 Å²	63	4%	0.035	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-44.1	176.1	-172.2	-94.9	0	0	0	112.1	L33 L36 L53 E54 K55 L60 F61 F76 S79 L80	L33-Y57 HydrophobicContact CD2-CE2 3.7Å; L36-Y57 HydrophobicContact CD1-CD2 4.48Å; L53-Y57 WeakPolarHBondContact O-CB 3.32Å; L53-Y57 PolarHBondContact O-N 3.46Å; E54-Y57 WeakPolarHBondContact O-CB 3.21Å; E54-Y57 PolarHBondContact O-N 3.43Å; K55-Y57 VanDerWaalsContact C-N 3.25Å; K55-Y57 PolarHBondContact O-N 3.13Å; Y57-L60 PolarHBondContact O-N 3.13Å; Y57-F61 WeakPolarHBondContact O-CB 3.07Å; Y57-F61 PolarHBondContact O-N 3.08Å; Y57-F76 HydrophobicContact CE1-CB 4.34Å; Y57-F76 AromaticContact CE1-CD1 3.65Å; Y57-F76 HydrophobicContact CE1-CD1 3.65Å; Y57-F76 HydrophobicContact CE1-CG 4.47Å; Y57-F76 HydrophobicContact CE2-CD1 4Å; Y57-F76 HydrophobicContact CE2-CE1 4.33Å; Y57-F76 AromaticContact CZ-CD1 3.32Å; Y57-F76 WeakPolarHBondContact OH-CA 3.41Å; Y57-F76 WeakPolarHBondContact OH-CB 3.36Å; Y57-F76 WeakPolarHBondContact OH-CD1 3.29Å; Y57-F76 WeakPolarHBondContact OH-CG 3.38Å; Y57-F76 PolarHBondContact OH-O 3.3Å; Y57-S79 VanDerWaalsContact OH-CB 3.26Å; Y57-S79 WeakPolarHBondContact OH-CB 3.16Å; Y57-L80 HydrophobicContact CD1-CD1 3.94Å; Y57-L80 HydrophobicContact CE1-CB 3.92Å; Y57-L80 HydrophobicContact CE1-CD1 3.95Å
58	H	92.2	Very high	91.2	Very high	86 Å²	86	59 Å²	59	40%	0.398	31%	0.306	S	S	.	.	H	α-helix	trans	-64	-39.7	174.3	-79.4	-59.8	0	0	0	112.9	E54 K55 F61 A62	E54-H58 PolarHBondContact O-CD2 2.98Å; E54-H58 PolarHBondContact O-N 3.41Å; K55-H58 PolarHBondContact O-N 3.47Å; H58-F61 PolarHBondContact O-N 3.06Å; H58-A62 WeakPolarHBondContact O-CB 3.44Å; H58-A62 PolarHBondContact O-N 3.07Å
59	N	92.1	Very high	90.6	Very high	86 Å²	86	59.5 Å²	59.5	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-43.4	175	-69.2	-23.3	0	0	0	111.6	K55 E56 A62 Y63	K55-N59 VanDerWaalsContact O-CG 3.3Å; K55-N59 PolarHBondContact O-N 3.35Å; K55-N59 PolarHBondContact O-ND2 2.94Å; E56-N59 PolarHBondContact O-N 2.75Å; N59-A62 PolarHBondContact O-N 2.71Å; N59-Y63 WeakPolarHBondContact O-CB 3.45Å; N59-Y63 PolarHBondContact O-N 2.75Å
60	L	90.2	Very high	90.1	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-44.7	176.5	178.6	63.3	0	0	0	111.5	M1 L6 I32 L36 E56 Y57 Y63 L64	M1-L60 HydrophobicContact CE-CD2 4.36Å; L6-L60 HydrophobicContact CD1-CD1 4.15Å; I32-L60 HydrophobicContact CG2-CD2 3.8Å; L36-L60 HydrophobicContact CD1-CD2 3.5Å; L36-L60 VanDerWaalsContact CD1-CD2 3.5Å; E56-L60 WeakPolarHBondContact O-CB 3.1Å; E56-L60 PolarHBondContact O-N 3.49Å; Y57-L60 PolarHBondContact O-N 3.13Å; L60-Y63 PolarHBondContact O-N 2.98Å; L60-L64 HydrophobicContact CD1-CD1 3.62Å; L60-L64 HydrophobicContact CD1-CG 4.12Å; L60-L64 HydrophobicContact CD2-CD1 4.47Å; L60-L64 HydrophobicContact CG-CD1 3.71Å; L60-L64 WeakPolarHBondContact O-CB 3.19Å; L60-L64 WeakPolarHBondContact O-CG 3.38Å; L60-L64 PolarHBondContact O-N 3.36Å
61	F	91	Very high	89.9	Confident	57 Å²	57	64.9 Å²	64.9	25%	0.25	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-46.2	175.6	177.4	-116.8	0	0	0	112.1	Y57 H58 Y63 L64 T65 L72 F76	Y57-F61 WeakPolarHBondContact O-CB 3.07Å; Y57-F61 PolarHBondContact O-N 3.08Å; H58-F61 PolarHBondContact O-N 3.06Å; F61-Y63 PolarHBondContact O-N 3.42Å; F61-L64 PolarHBondContact O-N 3.46Å; F61-T65 VanDerWaalsContact O-CB 3.29Å; F61-T65 WeakPolarHBondContact O-CB 3.49Å; F61-T65 PolarHBondContact O-N 3.12Å; F61-T65 PolarHBondContact O-OG1 3.09Å; F61-L72 HydrophobicContact CE2-CB 3.96Å; F61-F76 HydrophobicContact CB-CD1 3.68Å; F61-F76 HydrophobicContact CB-CE1 3.62Å; F61-F76 HydrophobicContact CB-CZ 4.35Å; F61-F76 HydrophobicContact CD2-CB 4.04Å; F61-F76 AromaticContact CD2-CD1 3.42Å; F61-F76 HydrophobicContact CD2-CD1 3.42Å; F61-F76 VanDerWaalsContact CD2-CD1 3.42Å; F61-F76 AromaticContact CD2-CD2 3.55Å; F61-F76 HydrophobicContact CD2-CD2 3.55Å; F61-F76 AromaticContact CD2-CE1 3.73Å; F61-F76 HydrophobicContact CD2-CE1 3.73Å; F61-F76 AromaticContact CD2-CE2 3.8Å; F61-F76 HydrophobicContact CD2-CE2 3.8Å; F61-F76 AromaticContact CD2-CG 3.38Å; F61-F76 HydrophobicContact CD2-CG 3.38Å; F61-F76 AromaticContact CD2-CZ 3.9Å; F61-F76 HydrophobicContact CD2-CZ 3.9Å; F61-F76 HydrophobicContact CE2-CB 4.21Å; F61-F76 HydrophobicContact CE2-CD1 4.38Å; F61-F76 AromaticContact CE2-CD2 3.89Å; F61-F76 HydrophobicContact CE2-CD2 3.89Å; F61-F76 HydrophobicContact CE2-CE2 4.38Å; F61-F76 AromaticContact CE2-CG 3.9Å; F61-F76 HydrophobicContact CE2-CG 3.9Å; F61-F76 AromaticContact CG-CD1 3.89Å; F61-F76 HydrophobicContact CG-CD1 3.89Å; F61-F76 HydrophobicContact CG-CE1 4.15Å; F61-F76 HydrophobicContact CG-CG 4.24Å
62	A	91	Very high	89.6	Confident	60 Å²	60	61.2 Å²	61.2	50%	0.496	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-43.9	177.8	0	0	0	0	0	111.7	H58 N59 T65 S66	H58-A62 WeakPolarHBondContact O-CB 3.44Å; H58-A62 PolarHBondContact O-N 3.07Å; N59-A62 PolarHBondContact O-N 2.71Å; A62-T65 PolarHBondContact O-N 3.18Å; A62-S66 PolarHBondContact O-N 3.34Å
63	Y	88.4	Confident	89.4	Confident	75 Å²	75	59.8 Å²	59.8	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-52.2	175.6	176	-96	0	0	0	111.6	L6 L9 N59 L60 F61 T65 S66 I67	L6-Y63 HydrophobicContact CB-CE1 3.72Å; L6-Y63 HydrophobicContact CD1-CD1 3.82Å; L6-Y63 HydrophobicContact CD1-CE1 3.68Å; L6-Y63 HydrophobicContact CD2-CE1 3.99Å; L6-Y63 HydrophobicContact CG-CE1 3.98Å; L6-Y63 PolarHBondContact O-OH 2.92Å; L6-Y63 VanDerWaalsContact O-OH 3.12Å; L9-Y63 HydrophobicContact CD1-CE1 4.4Å; N59-Y63 WeakPolarHBondContact O-CB 3.45Å; N59-Y63 PolarHBondContact O-N 2.75Å; L60-Y63 PolarHBondContact O-N 2.98Å; F61-Y63 PolarHBondContact O-N 3.42Å; Y63-T65 VanDerWaalsContact C-N 3.29Å; Y63-T65 PolarHBondContact O-N 3.05Å; Y63-S66 WeakPolarHBondContact O-CB 3.47Å; Y63-S66 PolarHBondContact O-N 3.3Å; Y63-S66 PolarHBondContact O-OG 2.96Å; Y63-I67 HydrophobicContact CE1-CD1 4.07Å; Y63-I67 HydrophobicContact CE2-CG2 4.47Å; Y63-I67 PolarHBondContact O-N 3.27Å
64	L	85.8	Confident	89.2	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-35.3	-178.4	-69.7	164.6	0	0	0	112.3	L6 I29 L60 F61 S66 I67 S68 L72 F76	L6-L64 HydrophobicContact CD2-CD2 4.4Å; I29-L64 HydrophobicContact CD1-CB 4.4Å; I29-L64 HydrophobicContact CG1-CB 4.33Å; I29-L64 HydrophobicContact CG1-CD1 4.08Å; I29-L64 HydrophobicContact CG1-CD2 3.93Å; I29-L64 HydrophobicContact CG1-CG 4.33Å; L60-L64 HydrophobicContact CD1-CD1 3.62Å; L60-L64 HydrophobicContact CD1-CG 4.12Å; L60-L64 HydrophobicContact CD2-CD1 4.47Å; L60-L64 HydrophobicContact CG-CD1 3.71Å; L60-L64 WeakPolarHBondContact O-CB 3.19Å; L60-L64 WeakPolarHBondContact O-CG 3.38Å; L60-L64 PolarHBondContact O-N 3.36Å; F61-L64 PolarHBondContact O-N 3.46Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-I67 HydrophobicContact CD2-CD1 4.12Å; L64-I67 WeakPolarHBondContact O-CG1 3.46Å; L64-I67 PolarHBondContact O-N 3.38Å; L64-S68 VanDerWaalsContact O-CB 3.29Å; L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 3.27Å; L64-S68 VanDerWaalsContact O-N 3.12Å; L64-L72 HydrophobicContact CB-CD1 3.84Å; L64-F76 HydrophobicContact CB-CZ 4.43Å; L64-F76 HydrophobicContact CD1-CE1 4.47Å; L64-F76 HydrophobicContact CD1-CZ 3.63Å
65	T	88.5	Confident	89	Confident	61 Å²	61	66.4 Å²	66.4	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-67.7	-33.8	174.8	-57	0	0	0	0	111.7	F61 A62 Y63 I67	F61-T65 VanDerWaalsContact O-CB 3.29Å; F61-T65 WeakPolarHBondContact O-CB 3.49Å; F61-T65 PolarHBondContact O-N 3.12Å; F61-T65 PolarHBondContact O-OG1 3.09Å; A62-T65 PolarHBondContact O-N 3.18Å; Y63-T65 VanDerWaalsContact C-N 3.29Å; Y63-T65 PolarHBondContact O-N 3.05Å; T65-I67 PolarHBondContact O-N 3.42Å
66	S	86.6	Confident	88.8	Confident	91 Å²	91	61.1 Å²	61.1	64%	0.636	33%	0.328	S	S	*	.	H	α-helix	trans	-67.5	-17.9	178.1	74.5	0	0	0	0	114	A62 Y63 L64	A62-S66 PolarHBondContact O-N 3.34Å; Y63-S66 WeakPolarHBondContact O-CB 3.47Å; Y63-S66 PolarHBondContact O-N 3.3Å; Y63-S66 PolarHBondContact O-OG 2.96Å; L64-S66 VanDerWaalsContact C-N 3.33Å
67	I	81.9	Confident	88.8	Confident	22 Å²	22	57.9 Å²	57.9	11%	0.113	32%	0.315	C	S	.	.	H	α-helix	trans	-114	-10.5	-174.6	67.8	156.9	0	0	0	114.1	L9 W13 V25 Y63 L64 T65	L9-I67 HydrophobicContact CD1-CD1 3.47Å; L9-I67 VanDerWaalsContact CD1-CD1 3.47Å; W13-I67 HydrophobicContact CH2-CB 3.37Å; W13-I67 HydrophobicContact CH2-CD1 4.34Å; W13-I67 HydrophobicContact CH2-CG1 4.45Å; W13-I67 HydrophobicContact CH2-CG2 3.3Å; W13-I67 HydrophobicContact CZ2-CB 3.44Å; W13-I67 VanDerWaalsContact CZ2-CB 3.44Å; W13-I67 HydrophobicContact CZ2-CD1 3.72Å; W13-I67 HydrophobicContact CZ2-CG1 4.14Å; W13-I67 HydrophobicContact CZ2-CG2 3.83Å; W13-I67 HydrophobicContact CZ3-CB 4.43Å; W13-I67 HydrophobicContact CZ3-CG2 4.33Å; V25-I67 HydrophobicContact CG1-CD1 4.35Å; V25-I67 HydrophobicContact CG1-CG1 4.46Å; V25-I67 HydrophobicContact CG2-CD1 4.39Å; Y63-I67 HydrophobicContact CE1-CD1 4.07Å; Y63-I67 HydrophobicContact CE2-CG2 4.47Å; Y63-I67 PolarHBondContact O-N 3.27Å; L64-I67 HydrophobicContact CD2-CD1 4.12Å; L64-I67 WeakPolarHBondContact O-CG1 3.46Å; L64-I67 PolarHBondContact O-N 3.38Å; T65-I67 PolarHBondContact O-N 3.42Å
68	S	83.4	Confident	88.7	Confident	15 Å²	15	60.1 Å²	60.1	11%	0.105	32%	0.324	C	S	.	.			trans	-97.9	142.5	178.8	177.4	0	0	0	0	109.4	L64 S70 L72	L64-S68 VanDerWaalsContact O-CB 3.29Å; L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 3.27Å; L64-S68 VanDerWaalsContact O-N 3.12Å; S68-S70 PolarHBondContact OG-N 2.94Å; S68-S70 PolarHBondContact OG-O 3.4Å; S68-L72 WeakPolarHBondContact OG-CD2 3.41Å
69	Y	83.2	Confident	88.7	Confident	182 Å²	182	56.3 Å²	56.3	71%	0.714	31%	0.306	S	S	*	.	S	Bend	trans	-85.6	-29.4	169	-65.7	-81.4	0	0	0	110.8	T18 D22	T18-Y69 HydrophobicContact CG2-CD2 4.11Å; T18-Y69 HydrophobicContact CG2-CE2 3.65Å; D22-Y69 PolarHBondContact OD1-N 2.9Å
70	S	85.1	Confident	88.6	Confident	43 Å²	43	53.7 Å²	53.7	30%	0.301	29%	0.292	S	S	.	.	S	Bend	trans	-77	145.5	176.9	-74.4	0	0	0	0	112.9	D22 S68 L72	D22-S70 PolarHBondContact OD1-N 2.9Å; D22-S70 VanDerWaalsContact OD1-N 3.13Å; D22-S70 PolarHBondContact OD2-OG 3.49Å; S68-S70 PolarHBondContact OG-N 2.94Å; S68-S70 PolarHBondContact OG-O 3.4Å; S70-L72 PolarHBondContact O-N 3.27Å
71	S	89.9	Confident	88.7	Confident	96 Å²	96	53 Å²	53	67%	0.671	29%	0.289	S	S	*	.			trans	-66.2	129.1	170.3	179.1	0	0	0	0	110.4
72	L	90.5	Very high	88.8	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.283	C	S	.	.			trans	-102.6	-5.5	-173.1	-58.8	-177.1	0	0	0	114.2	L26 I29 F61 L64 S68 S70 D74 Y75 F76	L26-L72 HydrophobicContact CD2-CD2 3.63Å; I29-L72 HydrophobicContact CD1-CD1 3.4Å; I29-L72 HydrophobicContact CD1-CD2 3.45Å; I29-L72 VanDerWaalsContact CD1-CD2 3.45Å; I29-L72 HydrophobicContact CD1-CG 4.02Å; I29-L72 HydrophobicContact CG1-CD1 4.45Å; F61-L72 HydrophobicContact CE2-CB 3.96Å; L64-L72 HydrophobicContact CB-CD1 3.84Å; S68-L72 WeakPolarHBondContact OG-CD2 3.41Å; S70-L72 PolarHBondContact O-N 3.27Å; L72-D74 VanDerWaalsContact C-N 3.28Å; L72-D74 PolarHBondContact O-N 2.86Å; L72-D74 VanDerWaalsContact O-N 3.14Å; L72-Y75 HydrophobicContact CD2-CD2 4.29Å; L72-Y75 WeakPolarHBondContact O-CB 3.35Å; L72-Y75 PolarHBondContact O-N 3.46Å; L72-Y75 VanDerWaalsContact O-N 3.09Å; L72-F76 HydrophobicContact CB-CD2 4.1Å; L72-F76 HydrophobicContact CB-CE2 4.07Å; L72-F76 HydrophobicContact CD1-CE2 4.36Å; L72-F76 WeakPolarHBondContact O-CD2 3.46Å; L72-F76 PolarHBondContact O-N 3.43Å
73	S	90.2	Very high	88.9	Confident	61 Å²	61	48.5 Å²	48.5	43%	0.427	26%	0.259	S	S	.	.	H	α-helix	trans	-54.5	-39.8	-168.9	-57.4	0	0	0	0	114.1	F76 T77	S73-F76 PolarHBondContact O-N 2.94Å; S73-T77 PolarHBondContact O-N 3.03Å; S73-T77 VanDerWaalsContact O-N 3.11Å; S73-T77 PolarHBondContact O-OG1 3.09Å
74	D	89.8	Confident	89	Confident	124 Å²	124	50 Å²	50	66%	0.663	26%	0.264	S	S	*	.	H	α-helix	trans	-66.2	-40.1	-178.7	-71.4	-32.5	0	0	0	112.2	L72 F76 T77	L72-D74 VanDerWaalsContact C-N 3.28Å; L72-D74 PolarHBondContact O-N 2.86Å; L72-D74 VanDerWaalsContact O-N 3.14Å; D74-F76 VanDerWaalsContact C-N 3.26Å; D74-F76 PolarHBondContact O-N 3.31Å; D74-T77 PolarHBondContact O-N 3.13Å
75	Y	89.7	Confident	89.4	Confident	88 Å²	88	51.5 Å²	51.5	35%	0.345	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-38.4	176.4	-61	-83.5	0	0	0	111.4	L26 N30 L33 L72	L26-Y75 HydrophobicContact CD2-CE2 3.81Å; N30-Y75 WeakPolarHBondContact OD1-CD1 3.31Å; L33-Y75 WeakPolarHBondContact CD1-O 3.41Å; L72-Y75 HydrophobicContact CD2-CD2 4.29Å; L72-Y75 WeakPolarHBondContact O-CB 3.35Å; L72-Y75 PolarHBondContact O-N 3.46Å; L72-Y75 VanDerWaalsContact O-N 3.09Å
76	F	91.5	Very high	89.6	Confident	7 Å²	7	51.4 Å²	51.4	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-84.8	-11.7	-176.1	-78.3	-107.8	0	0	0	113.8	I29 L33 Y57 F61 L64 L72 S73 D74 R78 S79 L80	I29-F76 HydrophobicContact CG2-CE2 3.65Å; I29-F76 HydrophobicContact CG2-CZ 4.25Å; L33-F76 HydrophobicContact CD1-CD2 3.97Å; L33-F76 HydrophobicContact CD1-CE2 3.98Å; L33-F76 HydrophobicContact CD1-CG 4.33Å; L33-F76 HydrophobicContact CD1-CZ 4.3Å; L33-F76 HydrophobicContact CD2-CD1 4.03Å; L33-F76 HydrophobicContact CD2-CE1 3.82Å; L33-F76 HydrophobicContact CD2-CG 4.43Å; L33-F76 HydrophobicContact CD2-CZ 4.08Å; L33-F76 HydrophobicContact CG-CZ 4.43Å; Y57-F76 HydrophobicContact CE1-CB 4.34Å; Y57-F76 AromaticContact CE1-CD1 3.65Å; Y57-F76 HydrophobicContact CE1-CD1 3.65Å; Y57-F76 HydrophobicContact CE1-CG 4.47Å; Y57-F76 HydrophobicContact CE2-CD1 4Å; Y57-F76 HydrophobicContact CE2-CE1 4.33Å; Y57-F76 AromaticContact CZ-CD1 3.32Å; Y57-F76 WeakPolarHBondContact OH-CA 3.41Å; Y57-F76 WeakPolarHBondContact OH-CB 3.36Å; Y57-F76 WeakPolarHBondContact OH-CD1 3.29Å; Y57-F76 WeakPolarHBondContact OH-CG 3.38Å; Y57-F76 PolarHBondContact OH-O 3.3Å; F61-F76 HydrophobicContact CB-CD1 3.68Å; F61-F76 HydrophobicContact CB-CE1 3.62Å; F61-F76 HydrophobicContact CB-CZ 4.35Å; F61-F76 HydrophobicContact CD2-CB 4.04Å; F61-F76 AromaticContact CD2-CD1 3.42Å; F61-F76 HydrophobicContact CD2-CD1 3.42Å; F61-F76 VanDerWaalsContact CD2-CD1 3.42Å; F61-F76 AromaticContact CD2-CD2 3.55Å; F61-F76 HydrophobicContact CD2-CD2 3.55Å; F61-F76 AromaticContact CD2-CE1 3.73Å; F61-F76 HydrophobicContact CD2-CE1 3.73Å; F61-F76 AromaticContact CD2-CE2 3.8Å; F61-F76 HydrophobicContact CD2-CE2 3.8Å; F61-F76 AromaticContact CD2-CG 3.38Å; F61-F76 HydrophobicContact CD2-CG 3.38Å; F61-F76 AromaticContact CD2-CZ 3.9Å; F61-F76 HydrophobicContact CD2-CZ 3.9Å; F61-F76 HydrophobicContact CE2-CB 4.21Å; F61-F76 HydrophobicContact CE2-CD1 4.38Å; F61-F76 AromaticContact CE2-CD2 3.89Å; F61-F76 HydrophobicContact CE2-CD2 3.89Å; F61-F76 HydrophobicContact CE2-CE2 4.38Å; F61-F76 AromaticContact CE2-CG 3.9Å; F61-F76 HydrophobicContact CE2-CG 3.9Å; F61-F76 AromaticContact CG-CD1 3.89Å; F61-F76 HydrophobicContact CG-CD1 3.89Å; F61-F76 HydrophobicContact CG-CE1 4.15Å; F61-F76 HydrophobicContact CG-CG 4.24Å; L64-F76 HydrophobicContact CB-CZ 4.43Å; L64-F76 HydrophobicContact CD1-CE1 4.47Å; L64-F76 HydrophobicContact CD1-CZ 3.63Å; L72-F76 HydrophobicContact CB-CD2 4.1Å; L72-F76 HydrophobicContact CB-CE2 4.07Å; L72-F76 HydrophobicContact CD1-CE2 4.36Å; L72-F76 WeakPolarHBondContact O-CD2 3.46Å; L72-F76 PolarHBondContact O-N 3.43Å; S73-F76 PolarHBondContact O-N 2.94Å; D74-F76 VanDerWaalsContact C-N 3.26Å; D74-F76 PolarHBondContact O-N 3.31Å; F76-R78 PolarHBondContact O-N 3.04Å; F76-S79 PolarHBondContact O-N 3.46Å; F76-L80 VanDerWaalsContact O-CB 3.32Å; F76-L80 WeakPolarHBondContact O-CB 3.45Å; F76-L80 PolarHBondContact O-N 3.11Å
77	T	91	Very high	90	Very high	33 Å²	33	47.9 Å²	47.9	20%	0.202	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-47	-171.3	-68.4	0	0	0	0	111.9	S73 D74 L80 Q81 R104	S73-T77 PolarHBondContact O-N 3.03Å; S73-T77 VanDerWaalsContact O-N 3.11Å; S73-T77 PolarHBondContact O-OG1 3.09Å; D74-T77 PolarHBondContact O-N 3.13Å; T77-L80 PolarHBondContact O-N 3.34Å; T77-Q81 WeakPolarHBondContact O-CG 3.41Å; T77-Q81 PolarHBondContact O-N 3.2Å; T77-Q81 VanDerWaalsContact O-N 3.13Å; T77-R104 HydrophobicContact CG2-CG 3.79Å
78	R	91.6	Very high	90.5	Very high	56 Å²	56	48.3 Å²	48.3	21%	0.211	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-51	-178.9	-173.4	-176	159.5	-74.3	7.9	111.4	D37 F76 L80 Q81 V82 R104 L105 E109	D37-R78 IonicContact OD1-CZ 3.38Å; D37-R78 IonicContact OD1-NH1 3.5Å; D37-R78 PolarHBondContact OD1-NH1 3.22Å; D37-R78 IonicContact OD1-NH2 2.67Å; D37-R78 PolarHBondContact OD1-NH2 2.91Å; D37-R78 IonicContact OD2-CZ 3.3Å; D37-R78 IonicContact OD2-NH1 3.11Å; D37-R78 PolarHBondContact OD2-NH1 3.34Å; D37-R78 IonicContact OD2-NH2 2.69Å; D37-R78 PolarHBondContact OD2-NH2 3.17Å; F76-R78 PolarHBondContact O-N 3.04Å; R78-L80 VanDerWaalsContact C-N 3.28Å; R78-L80 PolarHBondContact O-N 3.28Å; R78-Q81 WeakPolarHBondContact O-CB 3.34Å; R78-Q81 PolarHBondContact O-N 3.13Å; R78-V82 PolarHBondContact O-N 3.5Å; R78-V82 VanDerWaalsContact O-N 3.14Å; R78-R104 HydrophobicContact CB-CB 4.19Å; R78-R104 HydrophobicContact CG-CB 4.39Å; R78-L105 HydrophobicContact CG-CD2 3.45Å; R78-L105 VanDerWaalsContact CG-CD2 3.45Å; R78-L105 HydrophobicContact CG-CG 4.33Å; R78-E109 IonicContact CZ-OE1 2.69Å; R78-E109 VanDerWaalsContact CZ-OE1 3.3Å; R78-E109 IonicContact NE-OE1 3.32Å; R78-E109 PolarHBondContact NE-OE1 3.36Å; R78-E109 VanDerWaalsContact NE-OE1 3.11Å; R78-E109 IonicContact NH2-OE1 3.56Å; R78-E109 PolarHBondContact NH2-OE1 3.14Å
79	S	91	Very high	90.9	Very high	5 Å²	5	53 Å²	53	4%	0.035	27%	0.27	C	S	.	.	H	α-helix	trans	-69.2	-26.6	-177.2	-56.6	0	0	0	0	112.8	Y57 F76 V82 C83	Y57-S79 VanDerWaalsContact OH-CB 3.26Å; Y57-S79 WeakPolarHBondContact OH-CB 3.16Å; F76-S79 PolarHBondContact O-N 3.46Å; S79-V82 PolarHBondContact O-N 2.81Å; S79-C83 PolarHBondContact O-N 3.29Å; S79-C83 PolarHBondContact O-SG 3.08Å
80	L	91.1	Very high	91.3	Very high	31 Å²	31	52.6 Å²	52.6	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-68.4	-35.4	170.1	-169.8	65.7	0	0	0	112.1	Y57 F76 T77 R78 V82 C83 R84	Y57-L80 HydrophobicContact CD1-CD1 3.94Å; Y57-L80 HydrophobicContact CE1-CB 3.92Å; Y57-L80 HydrophobicContact CE1-CD1 3.95Å; F76-L80 VanDerWaalsContact O-CB 3.32Å; F76-L80 WeakPolarHBondContact O-CB 3.45Å; F76-L80 PolarHBondContact O-N 3.11Å; T77-L80 PolarHBondContact O-N 3.34Å; R78-L80 VanDerWaalsContact C-N 3.28Å; R78-L80 PolarHBondContact O-N 3.28Å; L80-V82 VanDerWaalsContact C-N 3.35Å; L80-C83 PolarHBondContact O-N 3.36Å; L80-R84 WeakPolarHBondContact O-CG 3.37Å; L80-R84 PolarHBondContact O-N 3.27Å
81	Q	92.3	Very high	91.6	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-40.6	173.5	-70.9	166.5	3.7	0	0	111.6	T77 R78 C83 R84 L85 N102 W103 L105	T77-Q81 WeakPolarHBondContact O-CG 3.41Å; T77-Q81 PolarHBondContact O-N 3.2Å; T77-Q81 VanDerWaalsContact O-N 3.13Å; R78-Q81 WeakPolarHBondContact O-CB 3.34Å; R78-Q81 PolarHBondContact O-N 3.13Å; Q81-C83 VanDerWaalsContact C-N 3.34Å; Q81-C83 PolarHBondContact O-N 2.62Å; Q81-R84 WeakPolarHBondContact O-CB 3.47Å; Q81-R84 PolarHBondContact O-N 3.1Å; Q81-R84 VanDerWaalsContact O-N 3.17Å; Q81-L85 WeakPolarHBondContact O-CG 3.21Å; Q81-L85 PolarHBondContact O-N 3.12Å; Q81-N102 PolarHBondContact NE2-O 2.63Å; Q81-W103 HydrophobicContact CB-CH2 4.32Å; Q81-W103 HydrophobicContact CB-CZ3 4.07Å; Q81-W103 HydrophobicContact CG-CE3 4.09Å; Q81-W103 HydrophobicContact CG-CZ3 4Å; Q81-L105 HydrophobicContact CB-CD1 3.7Å; Q81-L105 HydrophobicContact CB-CG 4.13Å
82	V	92.8	Very high	91.6	Very high	21 Å²	21	57.7 Å²	57.7	13%	0.127	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-45.7	172.7	179.4	0	0	0	0	110.7	I40 R78 S79 L80 R84 L85 L86 L105	I40-V82 HydrophobicContact CG2-CG1 3.8Å; R78-V82 PolarHBondContact O-N 3.5Å; R78-V82 VanDerWaalsContact O-N 3.14Å; S79-V82 PolarHBondContact O-N 2.81Å; L80-V82 VanDerWaalsContact C-N 3.35Å; V82-R84 VanDerWaalsContact C-N 3.28Å; V82-R84 PolarHBondContact O-N 3.33Å; V82-L85 PolarHBondContact O-N 3.41Å; V82-L86 HydrophobicContact CG1-CD1 4.27Å; V82-L86 WeakPolarHBondContact O-CG 3.46Å; V82-L86 PolarHBondContact O-N 3.47Å; V82-L105 HydrophobicContact CG2-CD1 3.95Å; V82-L105 HydrophobicContact CG2-CD2 3.77Å; V82-L105 HydrophobicContact CG2-CG 4.5Å
83	C	93	Very high	91.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-38.7	176.3	-65.6	0	0	0	0	112.2	E54 S79 L80 Q81 L86 N87	E54-C83 HydrophobicContact CB-CB 4.29Å; E54-C83 HydrophobicContact CG-CB 4.38Å; S79-C83 PolarHBondContact O-N 3.29Å; S79-C83 PolarHBondContact O-SG 3.08Å; L80-C83 PolarHBondContact O-N 3.36Å; Q81-C83 VanDerWaalsContact C-N 3.34Å; Q81-C83 PolarHBondContact O-N 2.62Å; C83-L86 PolarHBondContact O-N 3.06Å; C83-N87 WeakPolarHBondContact O-CB 3.34Å; C83-N87 PolarHBondContact O-N 3.03Å; C83-N87 PolarHBondContact O-ND2 2.87Å
84	R	91.2	Very high	91.5	Very high	106 Å²	106	58.4 Å²	58.4	40%	0.4	28%	0.281	S	S	.	.	H	α-helix	trans	-66.7	-42.5	175.8	-72.1	170.9	-179.4	168.8	0.3	112.4	L80 Q81 V82 L86 N87 L88	L80-R84 WeakPolarHBondContact O-CG 3.37Å; L80-R84 PolarHBondContact O-N 3.27Å; Q81-R84 WeakPolarHBondContact O-CB 3.47Å; Q81-R84 PolarHBondContact O-N 3.1Å; Q81-R84 VanDerWaalsContact O-N 3.17Å; V82-R84 VanDerWaalsContact C-N 3.28Å; V82-R84 PolarHBondContact O-N 3.33Å; R84-L86 VanDerWaalsContact C-N 3.31Å; R84-L86 PolarHBondContact O-N 3.34Å; R84-N87 CarbonylContact O-C 3.42Å; R84-N87 WeakPolarHBondContact O-CA 3.41Å; R84-N87 PolarHBondContact O-N 2.75Å; R84-L88 PolarHBondContact O-N 3.48Å
85	L	93	Very high	91.4	Very high	33 Å²	33	58.8 Å²	58.8	17%	0.173	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-43.8	175.2	-72.9	179.6	0	0	0	111.7	Q81 V82 N87 L88 V94 W103 L105 T110	Q81-L85 WeakPolarHBondContact O-CG 3.21Å; Q81-L85 PolarHBondContact O-N 3.12Å; V82-L85 PolarHBondContact O-N 3.41Å; L85-N87 PolarHBondContact O-N 3.5Å; L85-L88 HydrophobicContact CD2-CD1 3.97Å; L85-L88 WeakPolarHBondContact O-CG 3.29Å; L85-L88 PolarHBondContact O-N 3.2Å; L85-V94 HydrophobicContact CD2-CG2 3.51Å; L85-W103 HydrophobicContact CD1-CH2 4.06Å; L85-W103 HydrophobicContact CD1-CZ2 4.1Å; L85-W103 HydrophobicContact CD2-CH2 3.7Å; L85-W103 HydrophobicContact CD2-CZ2 4.21Å; L85-W103 HydrophobicContact CG-CH2 3.86Å; L85-W103 HydrophobicContact CG-CZ2 4.38Å; L85-L105 HydrophobicContact CD1-CD1 3.48Å; L85-L105 VanDerWaalsContact CD1-CD1 3.48Å; L85-L105 HydrophobicContact CG-CD1 4.41Å; L85-T110 HydrophobicContact CD1-CG2 4.08Å; L85-T110 HydrophobicContact CD2-CG2 4.1Å
86	L	93.4	Very high	91.1	Very high	58 Å²	58	63.5 Å²	63.5	30%	0.304	30%	0.297	S	S	.	.	H	α-helix	trans	-64.8	-20.5	175.7	-66.7	173	0	0	0	113.2	I40 F45 A50 L53 V82 C83 R84	I40-L86 HydrophobicContact CG2-CD1 3.74Å; F45-L86 HydrophobicContact CD2-CD1 3.97Å; F45-L86 HydrophobicContact CD2-CD2 3.99Å; F45-L86 HydrophobicContact CE2-CD1 4.11Å; F45-L86 HydrophobicContact CG-CD1 4.38Å; A50-L86 HydrophobicContact CB-CB 3.94Å; A50-L86 WeakPolarHBondContact CB-O 3.4Å; L53-L86 HydrophobicContact CD2-CD1 3.65Å; V82-L86 HydrophobicContact CG1-CD1 4.27Å; V82-L86 WeakPolarHBondContact O-CG 3.46Å; V82-L86 PolarHBondContact O-N 3.47Å; C83-L86 PolarHBondContact O-N 3.06Å; R84-L86 VanDerWaalsContact C-N 3.31Å; R84-L86 PolarHBondContact O-N 3.34Å
87	N	94	Very high	90.8	Very high	17 Å²	17	67.1 Å²	67.1	9%	0.091	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	9.3	-178.1	-82	-65.3	0	0	0	114.1	R47 A50 I51 E54 C83 R84 L85	R47-N87 VanDerWaalsContact CZ-O 3.25Å; R47-N87 VanDerWaalsContact NH1-CB 3.34Å; R47-N87 PolarHBondContact NH1-O 3.01Å; R47-N87 PolarHBondContact NH1-OD1 3.24Å; R47-N87 PolarHBondContact NH2-O 3.18Å; R47-N87 VanDerWaalsContact NH2-O 3.13Å; A50-N87 WeakPolarHBondContact CB-OD1 3.34Å; A50-N87 PolarHBondContact O-ND2 2.99Å; I51-N87 VanDerWaalsContact CG1-OD1 3.26Å; I51-N87 WeakPolarHBondContact CG1-OD1 3.14Å; I51-N87 PolarHBondContact N-OD1 3.25Å; E54-N87 PolarHBondContact OE2-ND2 2.9Å; C83-N87 WeakPolarHBondContact O-CB 3.34Å; C83-N87 PolarHBondContact O-N 3.03Å; C83-N87 PolarHBondContact O-ND2 2.87Å; R84-N87 CarbonylContact O-C 3.42Å; R84-N87 WeakPolarHBondContact O-CA 3.41Å; R84-N87 PolarHBondContact O-N 2.75Å; L85-N87 PolarHBondContact O-N 3.5Å
88	L	93.3	Very high	90.1	Very high	32 Å²	32	71.2 Å²	71.2	17%	0.168	32%	0.323	C	S	.	.			trans	-63.9	137.2	170.9	-62	179	0	0	0	110	R84 L85 R90 E93 V94 Y97	R84-L88 PolarHBondContact O-N 3.48Å; L85-L88 HydrophobicContact CD2-CD1 3.97Å; L85-L88 WeakPolarHBondContact O-CG 3.29Å; L85-L88 PolarHBondContact O-N 3.2Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-E93 HydrophobicContact CD2-CB 3.94Å; L88-V94 HydrophobicContact CD1-CB 3.95Å; L88-V94 HydrophobicContact CD1-CG2 4.35Å; L88-Y97 HydrophobicContact CD2-CD2 4.17Å; L88-Y97 HydrophobicContact CD2-CE2 3.48Å; L88-Y97 VanDerWaalsContact CD2-CE2 3.48Å
89	D	91.7	Very high	89.4	Confident	113 Å²	113	75.3 Å²	75.3	60%	0.604	35%	0.349	S	S	*	.	S	Bend	trans	-76.4	-31	173.7	-74.1	-43.8	0	0	0	110.4	R47 E93	R47-D89 IonicContact CZ-OD1 3.4Å; R47-D89 VanDerWaalsContact CZ-OD1 3.3Å; R47-D89 IonicContact NE-OD1 3.26Å; R47-D89 PolarHBondContact NE-OD1 3.43Å; R47-D89 IonicContact NH2-OD1 2.8Å; R47-D89 PolarHBondContact NH2-OD1 2.87Å; R47-D89 IonicContact NH2-OD2 3.3Å; D89-E93 PolarHBondContact N-OE2 2.7Å
90	R	92.1	Very high	88.9	Confident	174 Å²	174	77.5 Å²	77.5	66%	0.657	37%	0.365	S	S	*	.	S	Bend	trans	-141.1	147.3	175.2	-47.7	-177.1	174.5	172.3	-0.3	111.8	L88 E92 E93	L88-R90 VanDerWaalsContact C-N 3.33Å; R90-E92 WeakPolarHBondContact CB-OE2 3.46Å; R90-E92 PolarHBondContact O-N 2.89Å; R90-E93 HydrophobicContact CB-CG 4.34Å; R90-E93 PolarHBondContact N-OE2 3.4Å; R90-E93 VanDerWaalsContact O-CB 3.31Å; R90-E93 WeakPolarHBondContact O-CB 3.28Å; R90-E93 WeakPolarHBondContact O-CG 3.46Å; R90-E93 PolarHBondContact O-N 3.39Å; R90-E93 VanDerWaalsContact O-N 3.09Å
91	V	90.1	Very high	88.3	Confident	120 Å²	120	81.4 Å²	81.4	73%	0.727	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-61.1	-31.3	-176.5	-179.3	0	0	0	0	111.8	E93 V94	V91-E93 PolarHBondContact O-N 3.05Å; V91-V94 WeakPolarHBondContact O-CB 3.29Å; V91-V94 VanDerWaalsContact O-CG1 3.28Å; V91-V94 WeakPolarHBondContact O-CG1 3.39Å; V91-V94 PolarHBondContact O-N 3.5Å
92	E	91.4	Very high	87.9	Confident	125 Å²	125	86 Å²	86	58%	0.584	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-67.7	-19.4	-179.1	-52.1	81.3	-167.2	0	0	113	R90 V94 H95	R90-E92 WeakPolarHBondContact CB-OE2 3.46Å; R90-E92 PolarHBondContact O-N 2.89Å; E92-V94 PolarHBondContact O-N 3.22Å; E92-H95 PolarHBondContact O-CD2 2.92Å; E92-H95 VanDerWaalsContact O-CD2 3.23Å; E92-H95 PolarHBondContact O-N 3.36Å
93	E	90	Very high	87.5	Confident	54 Å²	54	86.8 Å²	86.8	25%	0.252	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16.6	178	-64.5	174.6	168.3	0	0	112.4	L88 D89 R90 V91 H95 Y96 Y97	L88-E93 HydrophobicContact CD2-CB 3.94Å; D89-E93 PolarHBondContact N-OE2 2.7Å; R90-E93 HydrophobicContact CB-CG 4.34Å; R90-E93 PolarHBondContact N-OE2 3.4Å; R90-E93 VanDerWaalsContact O-CB 3.31Å; R90-E93 WeakPolarHBondContact O-CB 3.28Å; R90-E93 WeakPolarHBondContact O-CG 3.46Å; R90-E93 PolarHBondContact O-N 3.39Å; R90-E93 VanDerWaalsContact O-N 3.09Å; V91-E93 PolarHBondContact O-N 3.05Å; E93-H95 PolarHBondContact O-N 3.02Å; E93-H95 VanDerWaalsContact O-N 3.17Å; E93-Y96 HydrophobicContact CB-CD2 4.09Å; E93-Y96 HydrophobicContact CB-CE2 4.37Å; E93-Y96 HydrophobicContact CG-CD2 4.49Å; E93-Y96 HydrophobicContact CG-CE2 4.32Å; E93-Y96 WeakPolarHBondContact O-CB 3.2Å; E93-Y96 VanDerWaalsContact O-CD2 3.23Å; E93-Y96 WeakPolarHBondContact O-CD2 3.45Å; E93-Y96 PolarHBondContact O-N 3.43Å; E93-Y96 VanDerWaalsContact O-N 3.08Å; E93-Y97 WeakPolarHBondContact O-CD2 3.32Å
94	V	88.6	Confident	87.2	Confident	24 Å²	24	94 Å²	94	15%	0.145	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-57.8	-31.5	177.7	79.7	0	0	0	0	112.7	L85 L88 V91 E92 Y96 Y97 W98 T110	L85-V94 HydrophobicContact CD2-CG2 3.51Å; L88-V94 HydrophobicContact CD1-CB 3.95Å; L88-V94 HydrophobicContact CD1-CG2 4.35Å; V91-V94 WeakPolarHBondContact O-CB 3.29Å; V91-V94 VanDerWaalsContact O-CG1 3.28Å; V91-V94 WeakPolarHBondContact O-CG1 3.39Å; V91-V94 PolarHBondContact O-N 3.5Å; E92-V94 PolarHBondContact O-N 3.22Å; V94-Y96 PolarHBondContact O-N 3.17Å; V94-Y97 PolarHBondContact O-N 3.45Å; V94-W98 PolarHBondContact O-N 3.34Å; V94-T110 HydrophobicContact CG2-CG2 3.43Å; V94-T110 VanDerWaalsContact CG2-CG2 3.43Å
95	H	86.3	Confident	87	Confident	132 Å²	132	89.4 Å²	89.4	61%	0.611	43%	0.431	S	S	*	.	H	α-helix	trans	-62	-24.9	179.4	-66.5	-58.8	0	0	0	113.1	E92 E93 Y97	E92-H95 PolarHBondContact O-CD2 2.92Å; E92-H95 VanDerWaalsContact O-CD2 3.23Å; E92-H95 PolarHBondContact O-N 3.36Å; E93-H95 PolarHBondContact O-N 3.02Å; E93-H95 VanDerWaalsContact O-N 3.17Å; H95-Y97 VanDerWaalsContact C-N 3.26Å; H95-Y97 PolarHBondContact O-N 3.24Å
96	Y	84.1	Confident	86.7	Confident	186 Å²	186	91.5 Å²	91.5	73%	0.729	45%	0.445	S	S	*	.	H	α-helix	trans	-70.2	-23.8	176	-61	-59.9	0	0	0	112.8	E93 V94	E93-Y96 HydrophobicContact CB-CD2 4.09Å; E93-Y96 HydrophobicContact CB-CE2 4.37Å; E93-Y96 HydrophobicContact CG-CD2 4.49Å; E93-Y96 HydrophobicContact CG-CE2 4.32Å; E93-Y96 WeakPolarHBondContact O-CB 3.2Å; E93-Y96 VanDerWaalsContact O-CD2 3.23Å; E93-Y96 WeakPolarHBondContact O-CD2 3.45Å; E93-Y96 PolarHBondContact O-N 3.43Å; E93-Y96 VanDerWaalsContact O-N 3.08Å; V94-Y96 PolarHBondContact O-N 3.17Å
97	Y	84	Confident	86.3	Confident	84 Å²	84	92.2 Å²	92.2	33%	0.329	46%	0.459	S	S	.	.	H	α-helix	trans	-98.6	-30.8	-176.3	-59.2	-82.9	0	0	0	113.5	L88 E93 V94 H95 N99 S100 W103	L88-Y97 HydrophobicContact CD2-CD2 4.17Å; L88-Y97 HydrophobicContact CD2-CE2 3.48Å; L88-Y97 VanDerWaalsContact CD2-CE2 3.48Å; E93-Y97 WeakPolarHBondContact O-CD2 3.32Å; V94-Y97 PolarHBondContact O-N 3.45Å; H95-Y97 VanDerWaalsContact C-N 3.26Å; H95-Y97 PolarHBondContact O-N 3.24Å; Y97-N99 PolarHBondContact O-N 3.2Å; Y97-N99 VanDerWaalsContact O-N 3.13Å; Y97-S100 VanDerWaalsContact O-CB 3.29Å; Y97-S100 WeakPolarHBondContact O-CB 3.33Å; Y97-S100 PolarHBondContact O-N 3.11Å; Y97-S100 PolarHBondContact O-OG 3.22Å; Y97-W103 VanDerWaalsContact CB-CZ3 3.43Å; Y97-W103 HydrophobicContact CG-CZ3 4.21Å
98	W	77	Confident	85.9	Confident	118 Å²	118	100 Å²	100	45%	0.447	50%	0.495	S	S	.	.	H	α-helix	trans	-54.8	-34.1	-175.7	-172.7	-92.6	0	0	0	113.6	V94 S100 W103 A107 T110	V94-W98 PolarHBondContact O-N 3.34Å; W98-S100 VanDerWaalsContact C-N 3.3Å; W98-S100 PolarHBondContact O-N 3.01Å; W98-W103 AromaticContact CE3-NE1 3.91Å; W98-W103 AromaticContact CZ3-NE1 3.92Å; W98-A107 HydrophobicContact CH2-CB 3.69Å; W98-A107 HydrophobicContact CZ3-CB 4.44Å; W98-T110 HydrophobicContact CZ3-CG2 4.48Å
99	N	76.2	Confident	85.5	Confident	142 Å²	142	102 Å²	102	76%	0.759	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	5.3	-179.1	-66.9	-23.4	0	0	0	114	Y97	Y97-N99 PolarHBondContact O-N 3.2Å; Y97-N99 VanDerWaalsContact O-N 3.13Å
100	S	81.6	Confident	85	Confident	52 Å²	52	100.3 Å²	100.3	36%	0.364	50%	0.497	S	S	.	.			trans	-77.5	134.9	179	69.2	0	0	0	0	111.2	Y97 W98 N102 W103	Y97-S100 VanDerWaalsContact O-CB 3.29Å; Y97-S100 WeakPolarHBondContact O-CB 3.33Å; Y97-S100 PolarHBondContact O-N 3.11Å; Y97-S100 PolarHBondContact O-OG 3.22Å; W98-S100 VanDerWaalsContact C-N 3.3Å; W98-S100 PolarHBondContact O-N 3.01Å; S100-N102 PolarHBondContact O-N 3.49Å; S100-W103 WeakPolarHBondContact O-CB 3.42Å; S100-W103 PolarHBondContact O-N 2.85Å; S100-W103 VanDerWaalsContact O-N 3.08Å
101	S	78.9	Confident	84.6	Confident	113 Å²	113	96.7 Å²	96.7	79%	0.79	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.5	179.4	60	0	0	0	0	114.1
102	N	83	Confident	84.3	Confident	103 Å²	103	95.4 Å²	95.4	55%	0.551	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	1.1	-175.1	-60.4	-22.3	0	0	0	112.2	Q81 S100 R104	Q81-N102 PolarHBondContact NE2-O 2.63Å; S100-N102 PolarHBondContact O-N 3.49Å; N102-R104 WeakPolarHBondContact O-CG 3.2Å; N102-R104 PolarHBondContact O-N 3.38Å
103	W	85.4	Confident	83.9	Confident	37 Å²	37	93.8 Å²	93.8	14%	0.14	47%	0.471	C	S	.	.			trans	-62.2	125.3	178.4	-162.9	-103.2	0	0	0	110.9	Q81 L85 Y97 W98 S100 L105 T110	Q81-W103 HydrophobicContact CB-CH2 4.32Å; Q81-W103 HydrophobicContact CB-CZ3 4.07Å; Q81-W103 HydrophobicContact CG-CE3 4.09Å; Q81-W103 HydrophobicContact CG-CZ3 4Å; L85-W103 HydrophobicContact CD1-CH2 4.06Å; L85-W103 HydrophobicContact CD1-CZ2 4.1Å; L85-W103 HydrophobicContact CD2-CH2 3.7Å; L85-W103 HydrophobicContact CD2-CZ2 4.21Å; L85-W103 HydrophobicContact CG-CH2 3.86Å; L85-W103 HydrophobicContact CG-CZ2 4.38Å; Y97-W103 VanDerWaalsContact CB-CZ3 3.43Å; Y97-W103 HydrophobicContact CG-CZ3 4.21Å; W98-W103 AromaticContact CE3-NE1 3.91Å; W98-W103 AromaticContact CZ3-NE1 3.92Å; S100-W103 WeakPolarHBondContact O-CB 3.42Å; S100-W103 PolarHBondContact O-N 2.85Å; S100-W103 VanDerWaalsContact O-N 3.08Å; W103-L105 HydrophobicContact CH2-CD1 4.18Å; W103-L105 HydrophobicContact CZ2-CB 4.05Å; W103-L105 HydrophobicContact CZ2-CD1 3.88Å; W103-L105 HydrophobicContact CZ2-CG 4.42Å; W103-L105 PolarHBondContact NE1-O 3.36Å; W103-T110 HydrophobicContact CZ2-CG2 4.09Å
104	R	87	Confident	83.6	Confident	152 Å²	152	96.1 Å²	96.1	57%	0.574	48%	0.484	S	S	*	.			trans	-114.8	-13.4	-176	-60.5	-55.6	-171.9	166.7	2.2	113	T77 R78 N102	T77-R104 HydrophobicContact CG2-CG 3.79Å; R78-R104 HydrophobicContact CB-CB 4.19Å; R78-R104 HydrophobicContact CG-CB 4.39Å; N102-R104 WeakPolarHBondContact O-CG 3.2Å; N102-R104 PolarHBondContact O-N 3.38Å
105	L	86.6	Confident	83.3	Confident	9 Å²	9	100.6 Å²	100.6	5%	0.047	51%	0.505	C	S	.	.			trans	-81.5	141.1	179.5	-61.1	173.2	0	0	0	111	R78 Q81 V82 L85 W103 E109	R78-L105 HydrophobicContact CG-CD2 3.45Å; R78-L105 VanDerWaalsContact CG-CD2 3.45Å; R78-L105 HydrophobicContact CG-CG 4.33Å; Q81-L105 HydrophobicContact CB-CD1 3.7Å; Q81-L105 HydrophobicContact CB-CG 4.13Å; V82-L105 HydrophobicContact CG2-CD1 3.95Å; V82-L105 HydrophobicContact CG2-CD2 3.77Å; V82-L105 HydrophobicContact CG2-CG 4.5Å; L85-L105 HydrophobicContact CD1-CD1 3.48Å; L85-L105 VanDerWaalsContact CD1-CD1 3.48Å; L85-L105 HydrophobicContact CG-CD1 4.41Å; W103-L105 HydrophobicContact CH2-CD1 4.18Å; W103-L105 HydrophobicContact CZ2-CB 4.05Å; W103-L105 HydrophobicContact CZ2-CD1 3.88Å; W103-L105 HydrophobicContact CZ2-CG 4.42Å; W103-L105 PolarHBondContact NE1-O 3.36Å; L105-E109 HydrophobicContact CB-CB 4.25Å; L105-E109 HydrophobicContact CD2-CB 4.21Å
106	T	86.4	Confident	83.1	Confident	77 Å²	77	98.5 Å²	98.5	47%	0.472	50%	0.498	S	S	.	.			trans	-75.9	164.8	172.3	63.4	0	0	0	0	111.3	H108 E109 T110	T106-H108 PolarHBondContact O-N 3.22Å; T106-E109 WeakPolarHBondContact CB-OE2 3.43Å; T106-E109 WeakPolarHBondContact CG2-OE2 3.34Å; T106-E109 PolarHBondContact N-OE2 3.01Å; T106-E109 PolarHBondContact O-N 3.42Å; T106-E109 VanDerWaalsContact O-N 3.12Å; T106-E109 WeakPolarHBondContact OG1-CG 3.47Å; T106-E109 PolarHBondContact OG1-N 3.06Å; T106-E109 PolarHBondContact OG1-OE2 2.66Å; T106-T110 PolarHBondContact O-N 3.13Å; T106-T110 PolarHBondContact O-OG1 2.67Å
107	A	84.5	Confident	83	Confident	73 Å²	73	92.3 Å²	92.3	60%	0.603	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.5	176	0	0	0	0	0	113.7	W98	W98-A107 HydrophobicContact CH2-CB 3.69Å; W98-A107 HydrophobicContact CZ3-CB 4.44Å
108	H	86.1	Confident	82.9	Confident	181 Å²	181	92.9 Å²	92.9	84%	0.838	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-26.9	178.1	-175.5	55.9	0	0	0	112.6	T106	T106-H108 PolarHBondContact O-N 3.22Å
109	E	84	Confident	83.4	Confident	73 Å²	73	90.8 Å²	90.8	34%	0.341	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-18	176.9	-69.7	167.7	124.1	0	0	112.9	R78 L105 T106	R78-E109 IonicContact CZ-OE1 2.69Å; R78-E109 VanDerWaalsContact CZ-OE1 3.3Å; R78-E109 IonicContact NE-OE1 3.32Å; R78-E109 PolarHBondContact NE-OE1 3.36Å; R78-E109 VanDerWaalsContact NE-OE1 3.11Å; R78-E109 IonicContact NH2-OE1 3.56Å; R78-E109 PolarHBondContact NH2-OE1 3.14Å; L105-E109 HydrophobicContact CB-CB 4.25Å; L105-E109 HydrophobicContact CD2-CB 4.21Å; T106-E109 WeakPolarHBondContact CB-OE2 3.43Å; T106-E109 WeakPolarHBondContact CG2-OE2 3.34Å; T106-E109 PolarHBondContact N-OE2 3.01Å; T106-E109 PolarHBondContact O-N 3.42Å; T106-E109 VanDerWaalsContact O-N 3.12Å; T106-E109 WeakPolarHBondContact OG1-CG 3.47Å; T106-E109 PolarHBondContact OG1-N 3.06Å; T106-E109 PolarHBondContact OG1-OE2 2.66Å
110	T	81.1	Confident	84.1	Confident	78 Å²	78	86.2 Å²	86.2	48%	0.479	47%	0.473	S	S	.	.			trans	-91.3	0	179.5	-51.2	0	0	0	0	110.3	L85 V94 W98 W103 T106	L85-T110 HydrophobicContact CD1-CG2 4.08Å; L85-T110 HydrophobicContact CD2-CG2 4.1Å; V94-T110 HydrophobicContact CG2-CG2 3.43Å; V94-T110 VanDerWaalsContact CG2-CG2 3.43Å; W98-T110 HydrophobicContact CZ3-CG2 4.48Å; W103-T110 HydrophobicContact CZ2-CG2 4.09Å; T106-T110 PolarHBondContact O-N 3.13Å; T106-T110 PolarHBondContact O-OG1 2.67Å

Retrieved 110 of 110 residues in 148.2 ms (Link to these results)

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