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Polyprenal reductase AlphaSync

Plays a key role in early steps of protein N-linked glycosylation by being involved in the conversion of polyprenol into dolichol. Acts as a polyprenal reductase that mediates the reduction of polyprenal into dolichal in a NADP-dependent mechanism. Dolichols are required for the synthesis of dolichol-linked monosaccharides and the oligosaccharide precursor used for N-glycosylation.

AlphaFold DB , UniProt , Accession A0AA82N5X1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 aa.

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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	45.9	Very low	78	Confident	243 Å²	243	90.3 Å²	90.3	100%	1.197	50%	0.502	S	S	*	.				0	59.6	0	-169.7	178.7	170.3	0	0	109.6
2	L	51.6	Low	79.5	Confident	171 Å²	171	84.4 Å²	84.4	90%	0.895	47%	0.472	S	S	*	.			trans	-145.5	15.3	-179.3	-139.4	103.3	0	0	0	112.6
3	S	52.1	Low	80.9	Confident	126 Å²	126	77.9 Å²	77.9	88%	0.881	44%	0.435	S	S	*	.			trans	-106.8	23.3	-175.9	67.8	0	0	0	0	113.3
4	S	68.4	Low	82	Confident	74 Å²	74	75.5 Å²	75.5	52%	0.517	42%	0.421	S	S	.	.	S	Bend	trans	-88.5	121.7	164.6	57.5	0	0	0	0	107.9	L6	S4-L6 PolarHBondContact O-N 3.2Å
5	V	81.7	Confident	83.1	Confident	139 Å²	139	76.5 Å²	76.5	84%	0.842	42%	0.424	S	S	*	.			trans	-42.6	125.8	172.2	177.5	0	0	0	0	109.4	N7 Q62	V5-N7 PolarHBondContact O-N 3.35Å; V5-Q62 PolarHBondContact O-NE2 3.31Å
6	L	86.7	Confident	84	Confident	66 Å²	66	73 Å²	73	35%	0.346	40%	0.403	S	S	.	.			trans	-59	131.1	-179.1	-79.3	163.2	0	0	0	109.9	S4 K8 I10 I11 L59	S4-L6 PolarHBondContact O-N 3.2Å; L6-K8 PolarHBondContact O-N 3.3Å; L6-I10 HydrophobicContact CD2-CG2 3.97Å; L6-I11 HydrophobicContact CB-CD1 3.9Å; L6-I11 HydrophobicContact CB-CG1 3.71Å; L6-I11 WeakPolarHBondContact O-CD1 3.34Å; L6-L59 HydrophobicContact CD2-CD2 3.78Å
7	N	89.7	Confident	84.7	Confident	29 Å²	29	69.5 Å²	69.5	16%	0.155	38%	0.383	C	S	.	.			trans	-60.6	134	175.1	-177.2	-25.5	0	0	0	109.2	V5 T9 I10 I11	V5-N7 PolarHBondContact O-N 3.35Å; N7-T9 PolarHBondContact O-N 3.15Å; N7-T9 PolarHBondContact OD1-N 3.28Å; N7-T9 PolarHBondContact OD1-OG1 3.16Å; N7-I10 HydrophobicContact CB-CG1 4.37Å; N7-I10 WeakPolarHBondContact O-CA 3.47Å; N7-I10 WeakPolarHBondContact O-CB 3.38Å; N7-I10 PolarHBondContact O-N 3.27Å; N7-I11 PolarHBondContact O-N 3.48Å
8	K	94.2	Very high	85.4	Confident	74 Å²	74	71.9 Å²	71.9	32%	0.322	39%	0.394	S	S	.	.	H	α-helix	trans	-45.6	-38.4	174.7	55.4	-180	166.1	171.1	0	113.2	L6 I10 I11 S12 R68 I73	L6-K8 PolarHBondContact O-N 3.3Å; K8-I10 PolarHBondContact O-N 2.8Å; K8-I11 PolarHBondContact O-N 3.2Å; K8-S12 PolarHBondContact O-N 3.39Å; K8-S12 PolarHBondContact O-OG 3.11Å; K8-R68 WeakPolarHBondContact CD-O 3.34Å; K8-R68 WeakPolarHBondContact CE-O 3.5Å; K8-R68 PolarHBondContact NZ-O 3.18Å; K8-I73 HydrophobicContact CB-CD1 4.37Å; K8-I73 HydrophobicContact CD-CD1 4.08Å; K8-I73 HydrophobicContact CG-CD1 4.26Å
9	T	95.6	Very high	86.1	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-59.1	-46.7	176.4	-55.6	0	0	0	0	111.5	N7 S12 V13 A66 R68 F142	N7-T9 PolarHBondContact O-N 3.15Å; N7-T9 PolarHBondContact OD1-N 3.28Å; N7-T9 PolarHBondContact OD1-OG1 3.16Å; T9-S12 PolarHBondContact O-N 3.16Å; T9-V13 VanDerWaalsContact O-CG2 3.3Å; T9-V13 WeakPolarHBondContact O-CG2 3.2Å; T9-V13 PolarHBondContact O-N 3.08Å; T9-A66 WeakPolarHBondContact CB-O 3.45Å; T9-A66 PolarHBondContact OG1-O 3.01Å; T9-R68 HydrophobicContact CG2-CG 3.83Å; T9-R68 WeakPolarHBondContact OG1-CG 3.47Å; T9-R68 PolarHBondContact OG1-N 3.23Å; T9-F142 HydrophobicContact CG2-CD1 3.91Å; T9-F142 HydrophobicContact CG2-CE1 3.65Å; T9-F142 HydrophobicContact CG2-CZ 4.44Å
10	I	96.2	Very high	86.6	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-67	-42.4	178.9	-65.2	-58.3	0	0	0	110.8	L6 N7 K8 S12 V13 L14 I58 L59 Q62 A65 I143	L6-I10 HydrophobicContact CD2-CG2 3.97Å; N7-I10 HydrophobicContact CB-CG1 4.37Å; N7-I10 WeakPolarHBondContact O-CA 3.47Å; N7-I10 WeakPolarHBondContact O-CB 3.38Å; N7-I10 PolarHBondContact O-N 3.27Å; K8-I10 PolarHBondContact O-N 2.8Å; I10-S12 PolarHBondContact O-N 3.21Å; I10-V13 PolarHBondContact O-N 2.88Å; I10-L14 HydrophobicContact CG2-CD1 3.88Å; I10-L14 HydrophobicContact CG2-CG 4.32Å; I10-L14 WeakPolarHBondContact O-CG 3.48Å; I10-L14 PolarHBondContact O-N 3.41Å; I10-I58 HydrophobicContact CD1-CG2 4.42Å; I10-I58 HydrophobicContact CG2-CG2 4.21Å; I10-L59 HydrophobicContact CG2-CD2 4.4Å; I10-Q62 HydrophobicContact CG1-CB 4Å; I10-Q62 HydrophobicContact CG1-CG 4.18Å; I10-A65 HydrophobicContact CD1-CB 3.75Å; I10-A65 HydrophobicContact CG1-CB 3.96Å; I10-I143 HydrophobicContact CD1-CG2 4.36Å
11	I	95.7	Very high	87.1	Confident	71 Å²	71	66.3 Å²	66.3	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-48.1	176.1	-62.2	173.8	0	0	0	110.2	L6 N7 K8 V13 L14 I15	L6-I11 HydrophobicContact CB-CD1 3.9Å; L6-I11 HydrophobicContact CB-CG1 3.71Å; L6-I11 WeakPolarHBondContact O-CD1 3.34Å; N7-I11 PolarHBondContact O-N 3.48Å; K8-I11 PolarHBondContact O-N 3.2Å; I11-V13 VanDerWaalsContact C-N 3.33Å; I11-V13 PolarHBondContact O-N 3.06Å; I11-L14 PolarHBondContact O-N 3.5Å; I11-I15 HydrophobicContact CG2-CD1 3.79Å; I11-I15 HydrophobicContact CG2-CG1 4.43Å; I11-I15 VanDerWaalsContact O-CG1 3.3Å; I11-I15 WeakPolarHBondContact O-CG1 3.25Å; I11-I15 PolarHBondContact O-N 3.11Å
12	S	96.5	Very high	89.5	Confident	20 Å²	20	57.7 Å²	57.7	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-41.5	177.8	-60.2	0	0	0	0	112.5	K8 T9 I10 I15 M16 I73	K8-S12 PolarHBondContact O-N 3.39Å; K8-S12 PolarHBondContact O-OG 3.11Å; T9-S12 PolarHBondContact O-N 3.16Å; I10-S12 PolarHBondContact O-N 3.21Å; S12-I15 PolarHBondContact O-N 3.34Å; S12-M16 WeakPolarHBondContact O-CB 3.42Å; S12-M16 WeakPolarHBondContact O-CG 3.47Å; S12-M16 PolarHBondContact O-N 3.28Å; S12-I73 WeakPolarHBondContact OG-CG2 3.41Å
13	V	97.4	Very high	91.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-43.8	177	172.1	0	0	0	0	111.4	T9 I10 I11 I15 M16 Y17 I58 F139 F142 I143	T9-V13 VanDerWaalsContact O-CG2 3.3Å; T9-V13 WeakPolarHBondContact O-CG2 3.2Å; T9-V13 PolarHBondContact O-N 3.08Å; I10-V13 PolarHBondContact O-N 2.88Å; I11-V13 VanDerWaalsContact C-N 3.33Å; I11-V13 PolarHBondContact O-N 3.06Å; V13-I15 PolarHBondContact O-N 3.27Å; V13-M16 PolarHBondContact O-N 3.46Å; V13-Y17 VanDerWaalsContact O-CB 3.27Å; V13-Y17 WeakPolarHBondContact O-CB 3.49Å; V13-Y17 PolarHBondContact O-N 3.3Å; V13-I58 HydrophobicContact CB-CG2 4.29Å; V13-I58 HydrophobicContact CG1-CD1 3.92Å; V13-I58 HydrophobicContact CG1-CG1 4.13Å; V13-I58 HydrophobicContact CG1-CG2 3.76Å; V13-F139 HydrophobicContact CG1-CD1 3.79Å; V13-F139 HydrophobicContact CG1-CE1 4.27Å; V13-F139 HydrophobicContact CG1-CG 4.47Å; V13-F142 HydrophobicContact CG2-CD1 3.47Å; V13-F142 VanDerWaalsContact CG2-CD1 3.47Å; V13-F142 HydrophobicContact CG2-CE1 3.91Å; V13-I143 HydrophobicContact CG1-CD1 4.22Å; V13-I143 HydrophobicContact CG1-CG1 4.37Å; V13-I143 HydrophobicContact CG2-CG1 3.87Å
14	L	97.1	Very high	93.5	Very high	44 Å²	44	46.1 Å²	46.1	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-41.9	177.7	-72.3	169.4	0	0	0	111.9	I10 I11 Y17 L18 P55 I58 L59	I10-L14 HydrophobicContact CG2-CD1 3.88Å; I10-L14 HydrophobicContact CG2-CG 4.32Å; I10-L14 WeakPolarHBondContact O-CG 3.48Å; I10-L14 PolarHBondContact O-N 3.41Å; I11-L14 PolarHBondContact O-N 3.5Å; L14-Y17 PolarHBondContact O-N 2.73Å; L14-L18 WeakPolarHBondContact O-CB 3.21Å; L14-L18 PolarHBondContact O-N 3.4Å; L14-P55 HydrophobicContact CD2-CB 4.42Å; L14-I58 HydrophobicContact CD2-CB 4.03Å; L14-I58 HydrophobicContact CD2-CD1 4.29Å; L14-I58 HydrophobicContact CD2-CG2 3.7Å; L14-I58 HydrophobicContact CG-CG2 3.85Å; L14-L59 HydrophobicContact CD1-CD2 3.73Å; L14-L59 HydrophobicContact CD1-CG 4.41Å
15	I	97.2	Very high	94.8	Very high	91 Å²	91	47.8 Å²	47.8	47%	0.467	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-47.8	175.4	-65.9	168.1	0	0	0	110.2	I11 S12 V13 Y17 L18 V19	I11-I15 HydrophobicContact CG2-CD1 3.79Å; I11-I15 HydrophobicContact CG2-CG1 4.43Å; I11-I15 VanDerWaalsContact O-CG1 3.3Å; I11-I15 WeakPolarHBondContact O-CG1 3.25Å; I11-I15 PolarHBondContact O-N 3.11Å; S12-I15 PolarHBondContact O-N 3.34Å; V13-I15 PolarHBondContact O-N 3.27Å; I15-Y17 VanDerWaalsContact C-N 3.3Å; I15-Y17 PolarHBondContact O-N 3.15Å; I15-L18 WeakPolarHBondContact O-CB 3.44Å; I15-L18 PolarHBondContact O-N 2.9Å; I15-V19 WeakPolarHBondContact O-CG2 3.44Å; I15-V19 PolarHBondContact O-N 3.03Å
16	M	97.4	Very high	95.4	Very high	20 Å²	20	45.7 Å²	45.7	10%	0.099	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-31.5	178.4	-72.6	-59.6	99.1	0	0	112.8	S12 V13 V19 H20 F76 T77 M80 F139	S12-M16 WeakPolarHBondContact O-CB 3.42Å; S12-M16 WeakPolarHBondContact O-CG 3.47Å; S12-M16 PolarHBondContact O-N 3.28Å; V13-M16 PolarHBondContact O-N 3.46Å; M16-V19 HydrophobicContact CE-CG2 4.06Å; M16-V19 PolarHBondContact O-N 3.27Å; M16-H20 WeakPolarHBondContact O-CB 3.34Å; M16-H20 PolarHBondContact O-N 3.29Å; M16-F76 HydrophobicContact CB-CE1 4.18Å; M16-F76 HydrophobicContact CB-CZ 4.5Å; M16-F76 HydrophobicContact CG-CD1 4.47Å; M16-F76 HydrophobicContact CG-CE1 3.76Å; M16-F76 HydrophobicContact CG-CZ 4.47Å; M16-T77 HydrophobicContact CE-CG2 4.14Å; M16-T77 HydrophobicContact SD-CG2 3.99Å; M16-M80 HydrophobicContact SD-CB 4.23Å; M16-F139 HydrophobicContact CB-CE1 3.68Å; M16-F139 HydrophobicContact CB-CZ 4.15Å
17	Y	97.4	Very high	95.7	Very high	13 Å²	13	42.7 Å²	42.7	5%	0.051	22%	0.219	C	C	.	.	H	α-helix	trans	-68.5	-39.1	172.4	-174.4	-105.8	0	0	0	111.5	V13 L14 I15 V19 H20 V21 Y51 T54 P55 I58 F139	V13-Y17 VanDerWaalsContact O-CB 3.27Å; V13-Y17 WeakPolarHBondContact O-CB 3.49Å; V13-Y17 PolarHBondContact O-N 3.3Å; L14-Y17 PolarHBondContact O-N 2.73Å; I15-Y17 VanDerWaalsContact C-N 3.3Å; I15-Y17 PolarHBondContact O-N 3.15Å; Y17-V19 VanDerWaalsContact C-N 3.34Å; Y17-V19 PolarHBondContact O-N 2.91Å; Y17-H20 AromaticContact CE2-CD2 3.96Å; Y17-H20 WeakPolarHBondContact O-CB 3.38Å; Y17-H20 PolarHBondContact O-N 2.92Å; Y17-V21 HydrophobicContact CD1-CG2 4.09Å; Y17-V21 HydrophobicContact CD2-CG2 4.45Å; Y17-V21 HydrophobicContact CE1-CG2 3.56Å; Y17-V21 HydrophobicContact CE2-CG2 3.95Å; Y17-V21 HydrophobicContact CG-CG2 4.5Å; Y17-V21 VanDerWaalsContact CZ-CG2 3.47Å; Y17-V21 WeakPolarHBondContact O-CG2 3.5Å; Y17-V21 PolarHBondContact O-N 3.27Å; Y17-Y51 WeakPolarHBondContact OH-CD1 3.31Å; Y17-T54 HydrophobicContact CD2-CG2 4.05Å; Y17-T54 HydrophobicContact CE1-CG2 3.99Å; Y17-T54 HydrophobicContact CE2-CG2 3.34Å; Y17-T54 VanDerWaalsContact OH-CB 3.23Å; Y17-T54 WeakPolarHBondContact OH-CB 3.26Å; Y17-T54 WeakPolarHBondContact OH-CG2 3.48Å; Y17-P55 HydrophobicContact CE1-CB 4.44Å; Y17-P55 HydrophobicContact CE1-CG 4.44Å; Y17-I58 HydrophobicContact CD1-CD1 4.3Å; Y17-I58 HydrophobicContact CD2-CD1 4.34Å; Y17-I58 HydrophobicContact CG-CD1 3.96Å; Y17-F139 HydrophobicContact CD2-CE2 4.16Å; Y17-F139 HydrophobicContact CD2-CZ 4.47Å
18	L	97.3	Very high	95.7	Very high	113 Å²	113	43.9 Å²	43.9	59%	0.592	23%	0.23	S	C	*	.	H	α-helix	trans	-62.5	-41.3	172.9	179.6	62.9	0	0	0	111.9	L14 I15 H20 V21 S22	L14-L18 WeakPolarHBondContact O-CB 3.21Å; L14-L18 PolarHBondContact O-N 3.4Å; I15-L18 WeakPolarHBondContact O-CB 3.44Å; I15-L18 PolarHBondContact O-N 2.9Å; L18-H20 VanDerWaalsContact C-N 3.32Å; L18-V21 PolarHBondContact O-N 3.34Å; L18-S22 VanDerWaalsContact O-CB 3.23Å; L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 3.02Å; L18-S22 PolarHBondContact O-OG 3.26Å
19	V	97.1	Very high	95.5	Very high	56 Å²	56	46.8 Å²	46.8	34%	0.339	24%	0.244	S	C	.	.	H	α-helix	trans	-60	-45.3	172.9	172.5	0	0	0	0	110.4	I15 M16 Y17 S22 R23	I15-V19 WeakPolarHBondContact O-CG2 3.44Å; I15-V19 PolarHBondContact O-N 3.03Å; M16-V19 HydrophobicContact CE-CG2 4.06Å; M16-V19 PolarHBondContact O-N 3.27Å; Y17-V19 VanDerWaalsContact C-N 3.34Å; Y17-V19 PolarHBondContact O-N 2.91Å; V19-S22 PolarHBondContact O-N 3.23Å; V19-R23 WeakPolarHBondContact O-CB 3.48Å; V19-R23 PolarHBondContact O-N 2.67Å
20	H	97.1	Very high	95.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-49.4	177.8	173.3	61.9	0	0	0	113.3	M16 Y17 L18 R23 R24 Q84 E132 Y136	M16-H20 WeakPolarHBondContact O-CB 3.34Å; M16-H20 PolarHBondContact O-N 3.29Å; Y17-H20 AromaticContact CE2-CD2 3.96Å; Y17-H20 WeakPolarHBondContact O-CB 3.38Å; Y17-H20 PolarHBondContact O-N 2.92Å; L18-H20 VanDerWaalsContact C-N 3.32Å; H20-R23 PolarHBondContact CE1-NH2 2.89Å; H20-R23 PolarHBondContact ND1-NH2 3.27Å; H20-R23 PolarHBondContact O-N 3.4Å; H20-R24 PolarHBondContact O-N 2.94Å; H20-Q84 PolarHBondContact ND1-NE2 2.66Å; H20-E132 IonicContact CE1-OE1 3.16Å; H20-E132 IonicContact CE1-OE2 3.47Å; H20-E132 PolarHBondContact CE1-OE2 3.23Å; H20-E132 VanDerWaalsContact CE1-OE2 3.27Å; H20-E132 IonicContact NE2-OE1 2.7Å; H20-E132 IonicContact NE2-OE2 3.32Å; H20-Y136 AromaticContact NE2-CE2 3.57Å; H20-Y136 AromaticContact NE2-CZ 3.86Å; H20-Y136 PolarHBondContact NE2-OH 3.3Å
21	V	96.1	Very high	94.8	Very high	43 Å²	43	56.1 Å²	56.1	26%	0.261	28%	0.283	S	S	.	.	H	α-helix	trans	-69	-38.3	-179.7	177	0	0	0	0	110.8	Y17 L18 R24 L25 Y51	Y17-V21 HydrophobicContact CD1-CG2 4.09Å; Y17-V21 HydrophobicContact CD2-CG2 4.45Å; Y17-V21 HydrophobicContact CE1-CG2 3.56Å; Y17-V21 HydrophobicContact CE2-CG2 3.95Å; Y17-V21 HydrophobicContact CG-CG2 4.5Å; Y17-V21 VanDerWaalsContact CZ-CG2 3.47Å; Y17-V21 WeakPolarHBondContact O-CG2 3.5Å; Y17-V21 PolarHBondContact O-N 3.27Å; L18-V21 PolarHBondContact O-N 3.34Å; V21-R24 WeakPolarHBondContact O-CB 3.46Å; V21-R24 PolarHBondContact O-N 2.96Å; V21-L25 PolarHBondContact O-N 3.36Å; V21-Y51 HydrophobicContact CG1-CD1 4.4Å; V21-Y51 HydrophobicContact CG2-CD1 4.02Å; V21-Y51 HydrophobicContact CG2-CE1 4.12Å
22	S	96.4	Very high	94.2	Very high	62 Å²	62	54.3 Å²	54.3	43%	0.434	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-43.8	174.3	-61.1	0	0	0	0	112.1	L18 V19 R24 L25 Y26	L18-S22 VanDerWaalsContact O-CB 3.23Å; L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 3.02Å; L18-S22 PolarHBondContact O-OG 3.26Å; V19-S22 PolarHBondContact O-N 3.23Å; S22-R24 VanDerWaalsContact C-N 3.31Å; S22-R24 PolarHBondContact O-N 3.28Å; S22-L25 PolarHBondContact O-N 3.46Å; S22-Y26 PolarHBondContact O-N 3.4Å
23	R	95.6	Very high	93.5	Very high	26 Å²	26	57.1 Å²	57.1	10%	0.098	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-45.5	172.9	-176.7	-153.8	63	-162.2	-10.2	110.5	V19 H20 L25 Y26 E27 Q84	V19-R23 WeakPolarHBondContact O-CB 3.48Å; V19-R23 PolarHBondContact O-N 2.67Å; H20-R23 PolarHBondContact CE1-NH2 2.89Å; H20-R23 PolarHBondContact ND1-NH2 3.27Å; H20-R23 PolarHBondContact O-N 3.4Å; R23-L25 VanDerWaalsContact C-N 3.35Å; R23-L25 PolarHBondContact O-N 2.88Å; R23-Y26 WeakPolarHBondContact O-CB 3.39Å; R23-Y26 PolarHBondContact O-N 3.14Å; R23-E27 VanDerWaalsContact CD-OE1 3.22Å; R23-E27 WeakPolarHBondContact CD-OE1 3.36Å; R23-E27 HydrophobicContact CG-CG 4.31Å; R23-E27 IonicContact CZ-OE1 3.27Å; R23-E27 IonicContact NE-OE1 3.15Å; R23-E27 PolarHBondContact NE-OE1 3.46Å; R23-E27 VanDerWaalsContact NE-OE1 3.15Å; R23-E27 IonicContact NE-OE2 3.66Å; R23-E27 WeakPolarHBondContact O-CB 3.3Å; R23-E27 WeakPolarHBondContact O-CG 3.26Å; R23-E27 PolarHBondContact O-N 3.41Å; R23-Q84 VanDerWaalsContact NE-OE1 3.09Å; R23-Q84 VanDerWaalsContact NH1-CA 3.28Å; R23-Q84 VanDerWaalsContact NH1-CD 3.26Å; R23-Q84 PolarHBondContact NH1-O 3.43Å
24	R	93.8	Very high	92.5	Very high	28 Å²	28	63.9 Å²	63.9	11%	0.106	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-42	178.8	-83.4	-73.7	164.8	81.8	-0.3	113	H20 V21 S22 E27 C28 E132	H20-R24 PolarHBondContact O-N 2.94Å; V21-R24 WeakPolarHBondContact O-CB 3.46Å; V21-R24 PolarHBondContact O-N 2.96Å; S22-R24 VanDerWaalsContact C-N 3.31Å; S22-R24 PolarHBondContact O-N 3.28Å; R24-E27 VanDerWaalsContact CD-OE2 3.29Å; R24-E27 WeakPolarHBondContact CD-OE2 3.42Å; R24-E27 IonicContact NE-OE2 2.62Å; R24-E27 PolarHBondContact NE-OE2 3.49Å; R24-E27 VanDerWaalsContact NE-OE2 3.16Å; R24-E27 PolarHBondContact O-N 3.49Å; R24-C28 PolarHBondContact O-N 2.9Å; R24-C28 PolarHBondContact O-SG 3.29Å; R24-E132 IonicContact CZ-OE1 3.66Å; R24-E132 IonicContact CZ-OE2 3.27Å; R24-E132 VanDerWaalsContact CZ-OE2 3.27Å; R24-E132 IonicContact NH1-OE1 3.91Å; R24-E132 PolarHBondContact NH1-OE1 2.98Å; R24-E132 IonicContact NH1-OE2 3.48Å; R24-E132 PolarHBondContact NH1-OE2 2.93Å; R24-E132 IonicContact NH2-OE1 3.63Å; R24-E132 PolarHBondContact NH2-OE1 2.91Å; R24-E132 IonicContact NH2-OE2 3.98Å; R24-E132 PolarHBondContact NH2-OE2 3.25Å
25	L	94.4	Very high	91.4	Very high	108 Å²	108	64.3 Å²	64.3	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-60.5	-47.3	173.8	-179.4	62.7	0	0	0	110.9	V21 S22 R23 E27 C28 E29	V21-L25 PolarHBondContact O-N 3.36Å; S22-L25 PolarHBondContact O-N 3.46Å; R23-L25 VanDerWaalsContact C-N 3.35Å; R23-L25 PolarHBondContact O-N 2.88Å; L25-E27 PolarHBondContact O-N 2.67Å; L25-C28 PolarHBondContact O-N 3.35Å; L25-E29 HydrophobicContact CD1-CG 4.11Å; L25-E29 WeakPolarHBondContact O-CG 3.39Å; L25-E29 PolarHBondContact O-N 3.5Å
26	Y	95.2	Very high	90.3	Very high	96 Å²	96	66.8 Å²	66.8	38%	0.376	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-45.1	176.2	169	-91.5	0	0	0	112.6	S22 R23 C28 E29 Y30 V31 R92	S22-Y26 PolarHBondContact O-N 3.4Å; R23-Y26 WeakPolarHBondContact O-CB 3.39Å; R23-Y26 PolarHBondContact O-N 3.14Å; Y26-C28 VanDerWaalsContact C-N 3.29Å; Y26-C28 PolarHBondContact O-N 3.38Å; Y26-E29 PolarHBondContact O-N 2.89Å; Y26-Y30 AromaticContact CD2-CD2 3.49Å; Y26-Y30 HydrophobicContact CD2-CD2 3.49Å; Y26-Y30 VanDerWaalsContact CD2-CD2 3.49Å; Y26-Y30 HydrophobicContact CD2-CE2 4.24Å; Y26-Y30 HydrophobicContact CD2-CG 4.19Å; Y26-Y30 AromaticContact CE2-CD2 3.9Å; Y26-Y30 HydrophobicContact CE2-CD2 3.9Å; Y26-Y30 HydrophobicContact CE2-CG 4.15Å; Y26-Y30 HydrophobicContact CG-CD2 4.27Å; Y26-Y30 PolarHBondContact O-N 3.04Å; Y26-V31 HydrophobicContact CD1-CG2 4.21Å; Y26-V31 HydrophobicContact CE1-CG2 3.6Å; Y26-R92 PolarHBondContact OH-NH2 3.47Å; Y26-R92 VanDerWaalsContact OH-NH2 3.17Å
27	E	92	Very high	89.2	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.009	37%	0.368	C	S	.	.	I	π-helix	trans	-59.9	-39.8	176.9	-74.7	168.1	170.8	0	0	111.3	R23 R24 L25 V31 S32 F91	R23-E27 VanDerWaalsContact CD-OE1 3.22Å; R23-E27 WeakPolarHBondContact CD-OE1 3.36Å; R23-E27 HydrophobicContact CG-CG 4.31Å; R23-E27 IonicContact CZ-OE1 3.27Å; R23-E27 IonicContact NE-OE1 3.15Å; R23-E27 PolarHBondContact NE-OE1 3.46Å; R23-E27 VanDerWaalsContact NE-OE1 3.15Å; R23-E27 IonicContact NE-OE2 3.66Å; R23-E27 WeakPolarHBondContact O-CB 3.3Å; R23-E27 WeakPolarHBondContact O-CG 3.26Å; R23-E27 PolarHBondContact O-N 3.41Å; R24-E27 VanDerWaalsContact CD-OE2 3.29Å; R24-E27 WeakPolarHBondContact CD-OE2 3.42Å; R24-E27 IonicContact NE-OE2 2.62Å; R24-E27 PolarHBondContact NE-OE2 3.49Å; R24-E27 VanDerWaalsContact NE-OE2 3.16Å; R24-E27 PolarHBondContact O-N 3.49Å; L25-E27 PolarHBondContact O-N 2.67Å; E27-V31 WeakPolarHBondContact O-CB 3.44Å; E27-V31 PolarHBondContact O-N 3.02Å; E27-S32 VanDerWaalsContact O-CB 3.27Å; E27-S32 WeakPolarHBondContact O-CB 3.23Å; E27-S32 PolarHBondContact O-N 3.32Å; E27-S32 PolarHBondContact O-OG 2.66Å; E27-F91 HydrophobicContact CG-CD2 4.24Å; E27-F91 WeakPolarHBondContact OE1-CD2 3.47Å; E27-F91 WeakPolarHBondContact OE2-CD2 3.29Å; E27-F91 WeakPolarHBondContact OE2-CE2 3.29Å
28	C	90.3	Very high	88.3	Confident	55 Å²	55	78.8 Å²	78.8	37%	0.372	41%	0.407	S	S	.	.	I	π-helix	trans	-69.3	-46.4	177.7	-70.9	0	0	0	0	112.4	R24 L25 Y26 F34	R24-C28 PolarHBondContact O-N 2.9Å; R24-C28 PolarHBondContact O-SG 3.29Å; L25-C28 PolarHBondContact O-N 3.35Å; Y26-C28 VanDerWaalsContact C-N 3.29Å; Y26-C28 PolarHBondContact O-N 3.38Å; C28-F34 HydrophobicContact CB-CZ 4.25Å; C28-F34 VanDerWaalsContact O-CE2 3.27Å; C28-F34 WeakPolarHBondContact O-CE2 3.49Å
29	E	90.8	Very high	87.7	Confident	135 Å²	135	79.5 Å²	79.5	63%	0.631	41%	0.409	S	S	*	.	I	π-helix	trans	-77	-39.4	-174	-69	-65	139.1	0	0	113.2	L25 Y26	L25-E29 HydrophobicContact CD1-CG 4.11Å; L25-E29 WeakPolarHBondContact O-CG 3.39Å; L25-E29 PolarHBondContact O-N 3.5Å; Y26-E29 PolarHBondContact O-N 2.89Å
30	Y	90.1	Very high	87.3	Confident	181 Å²	181	80 Å²	80	71%	0.71	42%	0.415	S	S	*	.	I	π-helix	trans	-116.2	-21	-166.5	-60.6	-74	0	0	0	115	Y26	Y26-Y30 AromaticContact CD2-CD2 3.49Å; Y26-Y30 HydrophobicContact CD2-CD2 3.49Å; Y26-Y30 VanDerWaalsContact CD2-CD2 3.49Å; Y26-Y30 HydrophobicContact CD2-CE2 4.24Å; Y26-Y30 HydrophobicContact CD2-CG 4.19Å; Y26-Y30 AromaticContact CE2-CD2 3.9Å; Y26-Y30 HydrophobicContact CE2-CD2 3.9Å; Y26-Y30 HydrophobicContact CE2-CG 4.15Å; Y26-Y30 HydrophobicContact CG-CD2 4.27Å; Y26-Y30 PolarHBondContact O-N 3.04Å
31	V	86.7	Confident	86.9	Confident	15 Å²	15	87 Å²	87	9%	0.091	45%	0.445	C	S	.	.	I	π-helix	trans	-106.5	-43	-176.5	-177.7	0	0	0	0	111	Y26 E27 I33 R92 A95	Y26-V31 HydrophobicContact CD1-CG2 4.21Å; Y26-V31 HydrophobicContact CE1-CG2 3.6Å; E27-V31 WeakPolarHBondContact O-CB 3.44Å; E27-V31 PolarHBondContact O-N 3.02Å; V31-I33 PolarHBondContact O-N 3.46Å; V31-R92 HydrophobicContact CG1-CG 3.98Å; V31-A95 HydrophobicContact CG1-CB 3.77Å; V31-A95 WeakPolarHBondContact O-CB 3.42Å
32	S	83.1	Confident	86.6	Confident	32 Å²	32	91.2 Å²	91.2	22%	0.224	46%	0.464	C	S	.	.			trans	-78.5	118.1	-170	-62.4	0	0	0	0	112.4	E27 F34	E27-S32 VanDerWaalsContact O-CB 3.27Å; E27-S32 WeakPolarHBondContact O-CB 3.23Å; E27-S32 PolarHBondContact O-N 3.32Å; E27-S32 PolarHBondContact O-OG 2.66Å; S32-F34 PolarHBondContact O-N 2.87Å
33	I	80.2	Confident	86.1	Confident	80 Å²	80	93 Å²	93	41%	0.41	47%	0.465	S	S	.	.			trans	-90.7	96.4	171.2	-58.8	172.4	0	0	0	108.2	V31 R98	V31-I33 PolarHBondContact O-N 3.46Å; I33-R98 HydrophobicContact CB-CB 3.93Å; I33-R98 HydrophobicContact CD1-CB 4.02Å; I33-R98 HydrophobicContact CG2-CB 4.1Å; I33-R98 WeakPolarHBondContact O-CD 3.25Å; I33-R98 PolarHBondContact O-NH1 2.96Å
34	F	77.2	Confident	85.8	Confident	141 Å²	141	97.1 Å²	97.1	62%	0.618	48%	0.484	S	S	*	.			trans	-71	147.1	-177.6	-60.9	-76.4	0	0	0	113	C28 S32	C28-F34 HydrophobicContact CB-CZ 4.25Å; C28-F34 VanDerWaalsContact O-CE2 3.27Å; C28-F34 WeakPolarHBondContact O-CE2 3.49Å; S32-F34 PolarHBondContact O-N 2.87Å
35	S	74.7	Confident	85.7	Confident	54 Å²	54	100.5 Å²	100.5	38%	0.378	50%	0.503	S	S	.	.			trans	-88.9	171.4	172.7	70.1	0	0	0	0	110.7	S37	S35-S37 PolarHBondContact O-N 3.42Å; S35-S37 WeakPolarHBondContact OG-CB 3.45Å; S35-S37 PolarHBondContact OG-N 3.05Å
36	N	72.7	Confident	85.6	Confident	143 Å²	143	98.9 Å²	98.9	77%	0.765	49%	0.494	S	S	*	.	S	Bend	trans	-67.4	12.5	174.2	-62.5	-2.8	0	0	0	114.2	Q38	N36-Q38 PolarHBondContact O-N 3.07Å
37	S	75.2	Confident	85.4	Confident	99 Å²	99	95.4 Å²	95.4	69%	0.692	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-74.5	124.6	176.7	-171.3	0	0	0	0	109.7	S35	S35-S37 PolarHBondContact O-N 3.42Å; S35-S37 WeakPolarHBondContact OG-CB 3.45Å; S35-S37 PolarHBondContact OG-N 3.05Å
38	Q	79.2	Confident	85.3	Confident	186 Å²	186	98.9 Å²	98.9	87%	0.869	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-88	138	176.6	-65.6	-174.2	-26	0	0	110.7	N36	N36-Q38 PolarHBondContact O-N 3.07Å
39	M	83.5	Confident	85.5	Confident	128 Å²	128	97.4 Å²	97.4	63%	0.631	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-83.2	134.5	172.2	-173	175.8	-164.8	0	0	108.9	H43	M39-H43 HydrophobicContact CE-CB 3.55Å; M39-H43 WeakPolarHBondContact CE-O 2.95Å; M39-H43 HydrophobicContact CG-CB 3.59Å; M39-H43 HydrophobicContact SD-CB 4.3Å
40	S	89.8	Confident	85.7	Confident	67 Å²	67	92.2 Å²	92.2	47%	0.469	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-58.7	142.9	173.2	169.3	0	0	0	0	110.6	M42 H43 F44	S40-M42 PolarHBondContact O-N 2.8Å; S40-M42 VanDerWaalsContact O-N 3.14Å; S40-M42 PolarHBondContact OG-N 2.86Å; S40-H43 WeakPolarHBondContact O-CA 3.43Å; S40-H43 WeakPolarHBondContact O-CB 3.47Å; S40-H43 PolarHBondContact O-N 2.99Å; S40-F44 PolarHBondContact O-N 3.34Å
41	F	88.6	Confident	85.8	Confident	146 Å²	146	87.9 Å²	87.9	64%	0.64	46%	0.458	S	S	*	.	H	α-helix	trans	-53.2	-35.4	176.4	-179.4	-104.5	0	0	0	112.6	F44 L45	F41-F44 HydrophobicContact CE2-CD1 4.47Å; F41-F44 WeakPolarHBondContact O-CB 3.3Å; F41-F44 PolarHBondContact O-N 3.24Å; F41-L45 PolarHBondContact O-N 3.28Å
42	M	88.1	Confident	86.2	Confident	132 Å²	132	93 Å²	93	65%	0.65	49%	0.485	S	S	*	.	H	α-helix	trans	-65.1	-40.6	176.4	-67.2	-60.4	179.9	0	0	112.4	S40 F44 L45 M46	S40-M42 PolarHBondContact O-N 2.8Å; S40-M42 VanDerWaalsContact O-N 3.14Å; S40-M42 PolarHBondContact OG-N 2.86Å; M42-F44 VanDerWaalsContact C-N 3.34Å; M42-L45 PolarHBondContact O-N 3.19Å; M42-M46 VanDerWaalsContact O-CB 3.3Å; M42-M46 WeakPolarHBondContact O-CB 3.45Å; M42-M46 PolarHBondContact O-N 3.1Å
43	H	87.1	Confident	86.8	Confident	99 Å²	99	96.2 Å²	96.2	46%	0.458	50%	0.499	S	S	.	.	H	α-helix	trans	-66.3	-40.4	175.5	-80.3	76.1	0	0	0	110.6	M39 S40 M46 G47	M39-H43 HydrophobicContact CE-CB 3.55Å; M39-H43 WeakPolarHBondContact CE-O 2.95Å; M39-H43 HydrophobicContact CG-CB 3.59Å; M39-H43 HydrophobicContact SD-CB 4.3Å; S40-H43 WeakPolarHBondContact O-CA 3.43Å; S40-H43 WeakPolarHBondContact O-CB 3.47Å; S40-H43 PolarHBondContact O-N 2.99Å; H43-M46 PolarHBondContact O-N 3.47Å; H43-G47 PolarHBondContact O-N 3.07Å
44	F	88.8	Confident	87.6	Confident	112 Å²	112	92.4 Å²	92.4	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-59.1	-47.7	175.4	171.8	-95.8	0	0	0	111.8	S40 F41 M42 M46 G47 N48	S40-F44 PolarHBondContact O-N 3.34Å; F41-F44 HydrophobicContact CE2-CD1 4.47Å; F41-F44 WeakPolarHBondContact O-CB 3.3Å; F41-F44 PolarHBondContact O-N 3.24Å; M42-F44 VanDerWaalsContact C-N 3.34Å; F44-M46 PolarHBondContact O-N 2.89Å; F44-G47 PolarHBondContact O-N 3.32Å; F44-N48 VanDerWaalsContact CE2-ND2 3.28Å; F44-N48 WeakPolarHBondContact CE2-ND2 3.23Å; F44-N48 WeakPolarHBondContact CZ-ND2 3.05Å; F44-N48 PolarHBondContact O-N 3.05Å; F44-N48 VanDerWaalsContact O-N 3.1Å; F44-N48 PolarHBondContact O-ND2 3.02Å
45	L	91.8	Very high	88.5	Confident	100 Å²	100	87.6 Å²	87.6	52%	0.524	46%	0.462	S	S	.	.	H	α-helix	trans	-63.3	-42.7	178.1	-174.9	62.7	0	0	0	111.6	F41 M42 G47 N48 G49	F41-L45 PolarHBondContact O-N 3.28Å; M42-L45 PolarHBondContact O-N 3.19Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 2.89Å; L45-N48 PolarHBondContact O-N 3.26Å; L45-G49 PolarHBondContact O-N 3.25Å
46	M	91.7	Very high	89.5	Confident	73 Å²	73	89.6 Å²	89.6	36%	0.36	47%	0.467	S	S	.	.	H	α-helix	trans	-58.6	-44.5	175.6	-175.8	-179.1	77.6	0	0	111.8	M42 H43 F44 G49 F50 F156	M42-M46 VanDerWaalsContact O-CB 3.3Å; M42-M46 WeakPolarHBondContact O-CB 3.45Å; M42-M46 PolarHBondContact O-N 3.1Å; H43-M46 PolarHBondContact O-N 3.47Å; F44-M46 PolarHBondContact O-N 2.89Å; M46-G49 PolarHBondContact O-N 3.39Å; M46-F50 VanDerWaalsContact O-CB 3.26Å; M46-F50 WeakPolarHBondContact O-CB 3.28Å; M46-F50 PolarHBondContact O-N 2.97Å; M46-F156 HydrophobicContact CE-CZ 4.02Å; M46-F156 HydrophobicContact CG-CE2 4.17Å; M46-F156 HydrophobicContact CG-CZ 3.66Å; M46-F156 HydrophobicContact SD-CE2 3.82Å; M46-F156 HydrophobicContact SD-CZ 3.55Å; M46-F156 VanDerWaalsContact SD-CZ 3.55Å
47	G	91	Very high	90.7	Very high	24 Å²	24	83 Å²	83	25%	0.247	43%	0.432	C	S	.	.	H	α-helix	trans	-61.8	-48.3	177.5	0	0	0	0	0	112.8	H43 F44 L45 F50 Y51	H43-G47 PolarHBondContact O-N 3.07Å; F44-G47 PolarHBondContact O-N 3.32Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 2.89Å; G47-F50 WeakPolarHBondContact O-CB 3.34Å; G47-F50 PolarHBondContact O-N 3.3Å; G47-Y51 WeakPolarHBondContact O-CD2 3.37Å; G47-Y51 PolarHBondContact O-N 3.42Å
48	N	91	Very high	91.7	Very high	74 Å²	74	78.3 Å²	78.3	40%	0.396	40%	0.399	S	S	.	.	H	α-helix	trans	-63.9	-45.6	177.5	-75.9	-84.2	0	0	0	111.9	F44 L45 F50 Y51 L52	F44-N48 VanDerWaalsContact CE2-ND2 3.28Å; F44-N48 WeakPolarHBondContact CE2-ND2 3.23Å; F44-N48 WeakPolarHBondContact CZ-ND2 3.05Å; F44-N48 PolarHBondContact O-N 3.05Å; F44-N48 VanDerWaalsContact O-N 3.1Å; F44-N48 PolarHBondContact O-ND2 3.02Å; L45-N48 PolarHBondContact O-N 3.26Å; N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 3.33Å; N48-Y51 PolarHBondContact O-N 3.31Å; N48-L52 WeakPolarHBondContact O-CG 3.46Å; N48-L52 PolarHBondContact O-N 2.87Å; N48-L52 VanDerWaalsContact O-N 3.07Å
49	G	94	Very high	92.4	Very high	24 Å²	24	73 Å²	73	25%	0.247	38%	0.377	C	S	.	.	H	α-helix	trans	-58.4	-41.8	176.5	0	0	0	0	0	112	L45 M46 Y51 L52 I53	L45-G49 PolarHBondContact O-N 3.25Å; M46-G49 PolarHBondContact O-N 3.39Å; G49-Y51 PolarHBondContact O-N 3.4Å; G49-L52 PolarHBondContact O-N 2.94Å; G49-I53 WeakPolarHBondContact O-CB 3.29Å; G49-I53 WeakPolarHBondContact O-CD1 3.43Å; G49-I53 WeakPolarHBondContact O-CG1 3.5Å; G49-I53 PolarHBondContact O-N 3.48Å
50	F	94.7	Very high	93	Very high	26 Å²	26	72.1 Å²	72.1	11%	0.114	37%	0.374	C	S	.	.	H	α-helix	trans	-59.2	-48.2	176.7	177.7	-93.5	0	0	0	112.4	M46 G47 N48 L52 I53 T54 Y136 I153 F156 T157	M46-F50 VanDerWaalsContact O-CB 3.26Å; M46-F50 WeakPolarHBondContact O-CB 3.28Å; M46-F50 PolarHBondContact O-N 2.97Å; G47-F50 WeakPolarHBondContact O-CB 3.34Å; G47-F50 PolarHBondContact O-N 3.3Å; N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 3.33Å; F50-L52 VanDerWaalsContact C-N 3.32Å; F50-L52 PolarHBondContact O-N 2.95Å; F50-I53 PolarHBondContact O-N 2.88Å; F50-T54 WeakPolarHBondContact O-CB 3.3Å; F50-T54 PolarHBondContact O-N 3.42Å; F50-T54 PolarHBondContact O-OG1 3.49Å; F50-Y136 HydrophobicContact CE1-CE1 4.16Å; F50-Y136 AromaticContact CE1-CZ 3.9Å; F50-Y136 VanDerWaalsContact CE1-OH 3.26Å; F50-Y136 WeakPolarHBondContact CE1-OH 3.33Å; F50-Y136 HydrophobicContact CE2-CE1 4.5Å; F50-Y136 HydrophobicContact CZ-CD1 4.46Å; F50-Y136 AromaticContact CZ-CE1 3.53Å; F50-Y136 HydrophobicContact CZ-CE1 3.53Å; F50-Y136 AromaticContact CZ-CZ 3.64Å; F50-I153 HydrophobicContact CD2-CG2 4.47Å; F50-I153 HydrophobicContact CE2-CG2 3.56Å; F50-I153 HydrophobicContact CZ-CG2 3.81Å; F50-F156 AromaticContact CD2-CD1 3.42Å; F50-F156 HydrophobicContact CD2-CD1 3.42Å; F50-F156 VanDerWaalsContact CD2-CD1 3.42Å; F50-F156 AromaticContact CD2-CE1 3.49Å; F50-F156 HydrophobicContact CD2-CE1 3.49Å; F50-F156 VanDerWaalsContact CD2-CE1 3.49Å; F50-F156 AromaticContact CE2-CD1 3.53Å; F50-F156 HydrophobicContact CE2-CD1 3.53Å; F50-F156 AromaticContact CE2-CE1 3.94Å; F50-F156 HydrophobicContact CE2-CE1 3.94Å; F50-F156 HydrophobicContact CG-CE1 4.22Å; F50-T157 WeakPolarHBondContact CE2-OG1 3.29Å; F50-T157 VanDerWaalsContact CZ-OG1 3.28Å; F50-T157 WeakPolarHBondContact CZ-OG1 3.35Å
51	Y	93.6	Very high	93.2	Very high	90 Å²	90	69 Å²	69	35%	0.353	35%	0.352	S	S	.	.	H	α-helix	trans	-68.6	-27.3	179.1	-73.7	-67.2	0	0	0	113.6	Y17 V21 G47 N48 G49 P55	Y17-Y51 WeakPolarHBondContact OH-CD1 3.31Å; V21-Y51 HydrophobicContact CG1-CD1 4.4Å; V21-Y51 HydrophobicContact CG2-CD1 4.02Å; V21-Y51 HydrophobicContact CG2-CE1 4.12Å; G47-Y51 WeakPolarHBondContact O-CD2 3.37Å; G47-Y51 PolarHBondContact O-N 3.42Å; N48-Y51 PolarHBondContact O-N 3.31Å; G49-Y51 PolarHBondContact O-N 3.4Å; Y51-P55 WeakPolarHBondContact O-CD 3.31Å
52	L	94.2	Very high	93.5	Very high	124 Å²	124	64.1 Å²	64.1	65%	0.649	33%	0.331	S	S	*	.	H	α-helix	trans	-76.8	-44.1	174.1	-70.6	173.3	0	0	0	112.6	N48 G49 F50 P55 I56	N48-L52 WeakPolarHBondContact O-CG 3.46Å; N48-L52 PolarHBondContact O-N 2.87Å; N48-L52 VanDerWaalsContact O-N 3.07Å; G49-L52 PolarHBondContact O-N 2.94Å; F50-L52 VanDerWaalsContact C-N 3.32Å; F50-L52 PolarHBondContact O-N 2.95Å; L52-P55 WeakPolarHBondContact O-CD 3.39Å; L52-P55 WeakPolarHBondContact O-CG 3.28Å; L52-I56 WeakPolarHBondContact O-CD1 3.49Å
53	I	96.3	Very high	93.7	Very high	99 Å²	99	62.6 Å²	62.6	51%	0.508	33%	0.334	S	S	.	.	H	α-helix	trans	-74	-32.8	-175.7	-64.5	167.5	0	0	0	110.9	G49 F50 I56 S57 I153	G49-I53 WeakPolarHBondContact O-CB 3.29Å; G49-I53 WeakPolarHBondContact O-CD1 3.43Å; G49-I53 WeakPolarHBondContact O-CG1 3.5Å; G49-I53 PolarHBondContact O-N 3.48Å; F50-I53 PolarHBondContact O-N 2.88Å; I53-I56 WeakPolarHBondContact O-CB 3.47Å; I53-I56 PolarHBondContact O-N 3.29Å; I53-S57 WeakPolarHBondContact O-CB 3.41Å; I53-S57 PolarHBondContact O-N 2.87Å; I53-I153 HydrophobicContact CG2-CD1 4Å
54	T	96.9	Very high	94	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-56.3	-54.6	-176.4	-60.7	0	0	0	0	114.1	Y17 F50 I56 S57 I58 Y136 F150 I153	Y17-T54 HydrophobicContact CD2-CG2 4.05Å; Y17-T54 HydrophobicContact CE1-CG2 3.99Å; Y17-T54 HydrophobicContact CE2-CG2 3.34Å; Y17-T54 VanDerWaalsContact OH-CB 3.23Å; Y17-T54 WeakPolarHBondContact OH-CB 3.26Å; Y17-T54 WeakPolarHBondContact OH-CG2 3.48Å; F50-T54 WeakPolarHBondContact O-CB 3.3Å; F50-T54 PolarHBondContact O-N 3.42Å; F50-T54 PolarHBondContact O-OG1 3.49Å; T54-I56 VanDerWaalsContact C-N 3.28Å; T54-I56 PolarHBondContact O-N 2.9Å; T54-S57 PolarHBondContact O-N 3.03Å; T54-S57 VanDerWaalsContact O-N 3.11Å; T54-S57 PolarHBondContact O-OG 2.83Å; T54-I58 HydrophobicContact CG2-CD1 4.24Å; T54-I58 WeakPolarHBondContact O-CG1 3.14Å; T54-I58 PolarHBondContact O-N 2.92Å; T54-Y136 HydrophobicContact CG2-CE1 4.4Å; T54-F150 HydrophobicContact CG2-CE2 3.88Å; T54-I153 HydrophobicContact CG2-CG2 4.02Å
55	P	96.2	Very high	94.3	Very high	40 Å²	40	57.1 Å²	57.1	26%	0.26	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-34.3	177.7	24.6	-33.5	0	0	0	112.7	L14 Y17 Y51 L52 I58 L59	L14-P55 HydrophobicContact CD2-CB 4.42Å; Y17-P55 HydrophobicContact CE1-CB 4.44Å; Y17-P55 HydrophobicContact CE1-CG 4.44Å; Y51-P55 WeakPolarHBondContact O-CD 3.31Å; L52-P55 WeakPolarHBondContact O-CD 3.39Å; L52-P55 WeakPolarHBondContact O-CG 3.28Å; P55-I58 PolarHBondContact O-N 2.86Å; P55-L59 WeakPolarHBondContact O-CG 3.41Å; P55-L59 PolarHBondContact O-N 3.17Å
56	I	95.9	Very high	94.4	Very high	96 Å²	96	53.8 Å²	53.8	49%	0.492	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-43.8	173.9	-60.9	171.7	0	0	0	110.2	L52 I53 T54 I58 L59 L60	L52-I56 WeakPolarHBondContact O-CD1 3.49Å; I53-I56 WeakPolarHBondContact O-CB 3.47Å; I53-I56 PolarHBondContact O-N 3.29Å; T54-I56 VanDerWaalsContact C-N 3.28Å; T54-I56 PolarHBondContact O-N 2.9Å; I56-I58 VanDerWaalsContact C-N 3.29Å; I56-I58 PolarHBondContact O-N 3.45Å; I56-L59 PolarHBondContact O-N 3.29Å; I56-L60 HydrophobicContact CG2-CD1 4Å; I56-L60 HydrophobicContact CG2-CG 4.29Å; I56-L60 WeakPolarHBondContact O-CG 3.34Å; I56-L60 PolarHBondContact O-N 3.28Å
57	S	96.3	Very high	94.5	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.028	32%	0.321	C	S	.	.	H	α-helix	trans	-64.4	-33.6	178.4	79.9	0	0	0	0	112.6	I53 T54 S61 F150 I153	I53-S57 WeakPolarHBondContact O-CB 3.41Å; I53-S57 PolarHBondContact O-N 2.87Å; T54-S57 PolarHBondContact O-N 3.03Å; T54-S57 VanDerWaalsContact O-N 3.11Å; T54-S57 PolarHBondContact O-OG 2.83Å; S57-S61 WeakPolarHBondContact O-CB 3.27Å; S57-S61 PolarHBondContact O-N 2.97Å; S57-S61 VanDerWaalsContact O-N 3.16Å; S57-S61 PolarHBondContact O-OG 3.02Å; S57-F150 WeakPolarHBondContact OG-CD2 3.36Å; S57-I153 WeakPolarHBondContact OG-CG1 3.47Å
58	I	96.3	Very high	94.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-48.5	173.3	-66.7	164.3	0	0	0	109.5	I10 V13 L14 Y17 T54 P55 I56 L60 S61 F150	I10-I58 HydrophobicContact CD1-CG2 4.42Å; I10-I58 HydrophobicContact CG2-CG2 4.21Å; V13-I58 HydrophobicContact CB-CG2 4.29Å; V13-I58 HydrophobicContact CG1-CD1 3.92Å; V13-I58 HydrophobicContact CG1-CG1 4.13Å; V13-I58 HydrophobicContact CG1-CG2 3.76Å; L14-I58 HydrophobicContact CD2-CB 4.03Å; L14-I58 HydrophobicContact CD2-CD1 4.29Å; L14-I58 HydrophobicContact CD2-CG2 3.7Å; L14-I58 HydrophobicContact CG-CG2 3.85Å; Y17-I58 HydrophobicContact CD1-CD1 4.3Å; Y17-I58 HydrophobicContact CD2-CD1 4.34Å; Y17-I58 HydrophobicContact CG-CD1 3.96Å; T54-I58 HydrophobicContact CG2-CD1 4.24Å; T54-I58 WeakPolarHBondContact O-CG1 3.14Å; T54-I58 PolarHBondContact O-N 2.92Å; P55-I58 PolarHBondContact O-N 2.86Å; I56-I58 VanDerWaalsContact C-N 3.29Å; I56-I58 PolarHBondContact O-N 3.45Å; I58-L60 PolarHBondContact O-N 3Å; I58-S61 WeakPolarHBondContact O-CB 3.37Å; I58-S61 PolarHBondContact O-N 3.33Å; I58-S61 VanDerWaalsContact O-N 3.08Å; I58-F150 HydrophobicContact CD1-CD2 4.32Å; I58-F150 HydrophobicContact CD1-CE2 4.04Å; I58-F150 HydrophobicContact CG1-CD2 3.51Å; I58-F150 HydrophobicContact CG1-CE2 3.74Å; I58-F150 HydrophobicContact CG1-CG 4.47Å
59	L	95.6	Very high	94.9	Very high	75 Å²	75	59.2 Å²	59.2	39%	0.393	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-45.1	177.6	-70.9	170.5	0	0	0	112.1	L6 I10 L14 P55 I56 S61 Q62	L6-L59 HydrophobicContact CD2-CD2 3.78Å; I10-L59 HydrophobicContact CG2-CD2 4.4Å; L14-L59 HydrophobicContact CD1-CD2 3.73Å; L14-L59 HydrophobicContact CD1-CG 4.41Å; P55-L59 WeakPolarHBondContact O-CG 3.41Å; P55-L59 PolarHBondContact O-N 3.17Å; I56-L59 PolarHBondContact O-N 3.29Å; L59-S61 PolarHBondContact O-N 2.92Å; L59-S61 VanDerWaalsContact O-N 3.16Å; L59-Q62 VanDerWaalsContact O-CB 3.25Å; L59-Q62 WeakPolarHBondContact O-CB 3.5Å; L59-Q62 PolarHBondContact O-N 2.95Å; L59-Q62 VanDerWaalsContact O-N 3.11Å
60	L	95	Very high	95	Very high	110 Å²	110	67 Å²	67	58%	0.576	35%	0.345	S	S	*	.	H	α-helix	trans	-64.1	-18.3	176.5	-69.6	176.2	0	0	0	113.3	I56 I58 Q62	I56-L60 HydrophobicContact CG2-CD1 4Å; I56-L60 HydrophobicContact CG2-CG 4.29Å; I56-L60 WeakPolarHBondContact O-CG 3.34Å; I56-L60 PolarHBondContact O-N 3.28Å; I58-L60 PolarHBondContact O-N 3Å; L60-Q62 VanDerWaalsContact C-N 3.3Å
61	S	95	Very high	95.2	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.8	177.9	-57.4	0	0	0	0	113.3	S57 I58 L59 S63 N64 A65 I148 F150	S57-S61 WeakPolarHBondContact O-CB 3.27Å; S57-S61 PolarHBondContact O-N 2.97Å; S57-S61 VanDerWaalsContact O-N 3.16Å; S57-S61 PolarHBondContact O-OG 3.02Å; I58-S61 WeakPolarHBondContact O-CB 3.37Å; I58-S61 PolarHBondContact O-N 3.33Å; I58-S61 VanDerWaalsContact O-N 3.08Å; L59-S61 PolarHBondContact O-N 2.92Å; L59-S61 VanDerWaalsContact O-N 3.16Å; S61-S63 VanDerWaalsContact C-N 3.32Å; S61-S63 PolarHBondContact O-N 2.86Å; S61-N64 PolarHBondContact O-N 3Å; S61-N64 VanDerWaalsContact O-N 3.15Å; S61-A65 PolarHBondContact O-N 2.92Å; S61-I148 WeakPolarHBondContact OG-CD1 3.47Å; S61-F150 PolarHBondContact OG-N 2.93Å
62	Q	93.7	Very high	95.3	Very high	44 Å²	44	69.8 Å²	69.8	21%	0.206	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-56.1	-40.5	-176.8	179.2	177.9	-1.3	0	0	113.7	V5 I10 L59 L60 N64 A65	V5-Q62 PolarHBondContact O-NE2 3.31Å; I10-Q62 HydrophobicContact CG1-CB 4Å; I10-Q62 HydrophobicContact CG1-CG 4.18Å; L59-Q62 VanDerWaalsContact O-CB 3.25Å; L59-Q62 WeakPolarHBondContact O-CB 3.5Å; L59-Q62 PolarHBondContact O-N 2.95Å; L59-Q62 VanDerWaalsContact O-N 3.11Å; L60-Q62 VanDerWaalsContact C-N 3.3Å; Q62-N64 PolarHBondContact O-N 3.33Å; Q62-A65 PolarHBondContact O-N 2.91Å
63	S	92	Very high	95.5	Very high	101 Å²	101	64.9 Å²	64.9	71%	0.706	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-63.9	-24.5	-178	55.1	0	0	0	0	113.6	S61	S61-S63 VanDerWaalsContact C-N 3.32Å; S61-S63 PolarHBondContact O-N 2.86Å
64	N	93.9	Very high	95.6	Very high	81 Å²	81	61.9 Å²	61.9	43%	0.433	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-109.2	1.3	-177.9	-70.1	-45.3	0	0	0	113	S61 Q62 T144 I148	S61-N64 PolarHBondContact O-N 3Å; S61-N64 VanDerWaalsContact O-N 3.15Å; Q62-N64 PolarHBondContact O-N 3.33Å; N64-T144 WeakPolarHBondContact O-CB 3.22Å; N64-I148 HydrophobicContact CB-CG2 3.55Å
65	A	94.3	Very high	95.6	Very high	14 Å²	14	67.3 Å²	67.3	12%	0.116	36%	0.364	C	S	.	.			trans	-72	129.9	-177.5	0	0	0	0	0	110.8	I10 S61 Q62 I143	I10-A65 HydrophobicContact CD1-CB 3.75Å; I10-A65 HydrophobicContact CG1-CB 3.96Å; S61-A65 PolarHBondContact O-N 2.92Å; Q62-A65 PolarHBondContact O-N 2.91Å; A65-I143 HydrophobicContact CB-CG2 3.94Å
66	A	94.5	Very high	95.7	Very high	31 Å²	31	66.1 Å²	66.1	26%	0.256	36%	0.355	S	S	.	.			trans	-66.8	140.6	174.4	0	0	0	0	0	110.5	T9 R68 I143	T9-A66 WeakPolarHBondContact CB-O 3.45Å; T9-A66 PolarHBondContact OG1-O 3.01Å; A66-R68 PolarHBondContact O-N 3.13Å; A66-I143 PolarHBondContact N-O 2.78Å
67	E	93.5	Very high	95.8	Very high	164 Å²	164	63.3 Å²	63.3	77%	0.766	34%	0.342	S	S	*	.			trans	-72.9	111	170.3	-65.9	-166.4	174.8	0	0	110
68	R	95	Very high	95.9	Very high	60 Å²	60	67.2 Å²	67.2	23%	0.226	37%	0.366	C	S	.	.			trans	-94.4	140.2	-179.5	-58.2	-53.8	-172.9	172.9	1.6	111.3	K8 T9 A66 V72 I73 L141 F142	K8-R68 WeakPolarHBondContact CD-O 3.34Å; K8-R68 WeakPolarHBondContact CE-O 3.5Å; K8-R68 PolarHBondContact NZ-O 3.18Å; T9-R68 HydrophobicContact CG2-CG 3.83Å; T9-R68 WeakPolarHBondContact OG1-CG 3.47Å; T9-R68 PolarHBondContact OG1-N 3.23Å; A66-R68 PolarHBondContact O-N 3.13Å; R68-V72 HydrophobicContact CB-CB 4.38Å; R68-V72 HydrophobicContact CB-CG1 4.19Å; R68-V72 HydrophobicContact CG-CG1 4.31Å; R68-I73 HydrophobicContact CB-CG1 4.08Å; R68-L141 PolarHBondContact NH2-O 3.4Å; R68-F142 HydrophobicContact CB-CE2 4.36Å; R68-F142 HydrophobicContact CB-CZ 4.17Å; R68-F142 HydrophobicContact CG-CD2 4.49Å; R68-F142 HydrophobicContact CG-CE1 4.38Å; R68-F142 HydrophobicContact CG-CE2 3.99Å; R68-F142 HydrophobicContact CG-CZ 3.93Å; R68-F142 VanDerWaalsContact CZ-O 3.31Å; R68-F142 PolarHBondContact NE-O 3.05Å; R68-F142 PolarHBondContact NH2-O 2.83Å
69	S	96.4	Very high	95.9	Very high	60 Å²	60	71 Å²	71	42%	0.42	38%	0.383	S	S	.	.			trans	-69.8	160.1	170.7	69.2	0	0	0	0	110.7	L71 V72 I73	S69-L71 PolarHBondContact O-N 3.31Å; S69-V72 PolarHBondContact O-N 3.19Å; S69-V72 VanDerWaalsContact O-N 3.13Å; S69-V72 WeakPolarHBondContact OG-CG2 3.44Å; S69-V72 PolarHBondContact OG-N 3.42Å; S69-I73 WeakPolarHBondContact O-CG1 3.23Å; S69-I73 PolarHBondContact O-N 3.48Å
70	Y	96.6	Very high	96.1	Very high	187 Å²	187	67.5 Å²	67.5	73%	0.733	37%	0.365	S	S	*	.	H	α-helix	trans	-60.1	-34.7	177.5	-68.3	-67.9	0	0	0	112.7	I73 G74	Y70-I73 HydrophobicContact CD1-CD1 4.38Å; Y70-I73 PolarHBondContact O-N 2.77Å; Y70-G74 PolarHBondContact O-N 2.99Å
71	L	97.4	Very high	96.2	Very high	123 Å²	123	66.6 Å²	66.6	64%	0.644	36%	0.36	S	S	*	.	H	α-helix	trans	-60.8	-46.9	174.1	-175.9	154.6	0	0	0	111.2	S69 I73 G74 L75	S69-L71 PolarHBondContact O-N 3.31Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 PolarHBondContact O-N 3.31Å; L71-G74 PolarHBondContact O-N 3.49Å; L71-G74 VanDerWaalsContact O-N 3.17Å; L71-L75 HydrophobicContact CD2-CD1 3.54Å; L71-L75 HydrophobicContact CD2-CG 4.04Å; L71-L75 WeakPolarHBondContact O-CG 3.5Å; L71-L75 PolarHBondContact O-N 2.89Å
72	V	97.3	Very high	96.3	Very high	52 Å²	52	70.9 Å²	70.9	32%	0.315	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-38.1	179.5	174.6	0	0	0	0	111.2	R68 S69 G74 L75 F76 F142	R68-V72 HydrophobicContact CB-CB 4.38Å; R68-V72 HydrophobicContact CB-CG1 4.19Å; R68-V72 HydrophobicContact CG-CG1 4.31Å; S69-V72 PolarHBondContact O-N 3.19Å; S69-V72 VanDerWaalsContact O-N 3.13Å; S69-V72 WeakPolarHBondContact OG-CG2 3.44Å; S69-V72 PolarHBondContact OG-N 3.42Å; V72-G74 VanDerWaalsContact C-N 3.34Å; V72-L75 PolarHBondContact O-N 3.36Å; V72-F76 VanDerWaalsContact O-CB 3.29Å; V72-F76 WeakPolarHBondContact O-CB 3.45Å; V72-F76 PolarHBondContact O-N 3.5Å; V72-F142 HydrophobicContact CG1-CD2 4.45Å; V72-F142 HydrophobicContact CG1-CE2 3.94Å
73	I	97.5	Very high	96.5	Very high	22 Å²	22	69.5 Å²	69.5	11%	0.113	38%	0.376	C	S	.	.	H	α-helix	trans	-60.8	-43.3	172.1	-67.7	161.2	0	0	0	110.9	K8 S12 R68 S69 Y70 L71 F76 T77 F142	K8-I73 HydrophobicContact CB-CD1 4.37Å; K8-I73 HydrophobicContact CD-CD1 4.08Å; K8-I73 HydrophobicContact CG-CD1 4.26Å; S12-I73 WeakPolarHBondContact OG-CG2 3.41Å; R68-I73 HydrophobicContact CB-CG1 4.08Å; S69-I73 WeakPolarHBondContact O-CG1 3.23Å; S69-I73 PolarHBondContact O-N 3.48Å; Y70-I73 HydrophobicContact CD1-CD1 4.38Å; Y70-I73 PolarHBondContact O-N 2.77Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 PolarHBondContact O-N 3.31Å; I73-F76 PolarHBondContact O-N 2.99Å; I73-T77 WeakPolarHBondContact O-CB 3.29Å; I73-T77 PolarHBondContact O-N 2.89Å; I73-T77 PolarHBondContact O-OG1 2.87Å; I73-F142 HydrophobicContact CB-CZ 4.4Å; I73-F142 HydrophobicContact CG1-CZ 3.82Å
74	G	97.6	Very high	96.7	Very high	35 Å²	35	65.3 Å²	65.3	36%	0.361	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-49.1	176.7	0	0	0	0	0	112.5	Y70 L71 V72 F76 T77 V78	Y70-G74 PolarHBondContact O-N 2.99Å; L71-G74 PolarHBondContact O-N 3.49Å; L71-G74 VanDerWaalsContact O-N 3.17Å; V72-G74 VanDerWaalsContact C-N 3.34Å; G74-F76 VanDerWaalsContact C-N 3.35Å; G74-F76 PolarHBondContact O-N 2.75Å; G74-T77 WeakPolarHBondContact O-CB 3.47Å; G74-T77 PolarHBondContact O-N 3.03Å; G74-T77 VanDerWaalsContact O-N 3.17Å; G74-V78 WeakPolarHBondContact O-CG2 3.39Å; G74-V78 PolarHBondContact O-N 3.41Å
75	L	98	Very high	96.8	Very high	115 Å²	115	68.6 Å²	68.6	60%	0.602	35%	0.353	S	S	*	.	H	α-helix	trans	-60.2	-43.9	177.1	-69	180	0	0	0	112.1	L71 V72 T77 V78 H79	L71-L75 HydrophobicContact CD2-CD1 3.54Å; L71-L75 HydrophobicContact CD2-CG 4.04Å; L71-L75 WeakPolarHBondContact O-CG 3.5Å; L71-L75 PolarHBondContact O-N 2.89Å; V72-L75 PolarHBondContact O-N 3.36Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 3.35Å; L75-V78 PolarHBondContact O-N 3.41Å; L75-H79 WeakPolarHBondContact O-CB 3.46Å; L75-H79 PolarHBondContact O-N 3.29Å
76	F	97.9	Very high	96.9	Very high	14 Å²	14	70.2 Å²	70.2	6%	0.061	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-44.7	174.3	169.3	-106.6	0	0	0	111.8	M16 V72 I73 G74 V78 H79 M80 F139 F142	M16-F76 HydrophobicContact CB-CE1 4.18Å; M16-F76 HydrophobicContact CB-CZ 4.5Å; M16-F76 HydrophobicContact CG-CD1 4.47Å; M16-F76 HydrophobicContact CG-CE1 3.76Å; M16-F76 HydrophobicContact CG-CZ 4.47Å; V72-F76 VanDerWaalsContact O-CB 3.29Å; V72-F76 WeakPolarHBondContact O-CB 3.45Å; V72-F76 PolarHBondContact O-N 3.5Å; I73-F76 PolarHBondContact O-N 2.99Å; G74-F76 VanDerWaalsContact C-N 3.35Å; G74-F76 PolarHBondContact O-N 2.75Å; F76-V78 PolarHBondContact O-N 2.9Å; F76-H79 PolarHBondContact O-N 3.48Å; F76-M80 HydrophobicContact CD1-CG 4.36Å; F76-M80 HydrophobicContact CD2-CG 3.88Å; F76-M80 HydrophobicContact CD2-SD 4.4Å; F76-M80 HydrophobicContact CE1-CG 3.97Å; F76-M80 HydrophobicContact CE2-CG 3.43Å; F76-M80 VanDerWaalsContact CE2-CG 3.43Å; F76-M80 HydrophobicContact CE2-SD 3.64Å; F76-M80 HydrophobicContact CG-CG 4.32Å; F76-M80 HydrophobicContact CZ-CG 3.47Å; F76-M80 VanDerWaalsContact CZ-CG 3.47Å; F76-M80 HydrophobicContact CZ-SD 3.96Å; F76-M80 WeakPolarHBondContact O-CB 3.37Å; F76-M80 VanDerWaalsContact O-CG 3.24Å; F76-M80 WeakPolarHBondContact O-CG 3.21Å; F76-M80 PolarHBondContact O-N 3.2Å; F76-F139 HydrophobicContact CE2-CD1 4.34Å; F76-F139 AromaticContact CZ-CD1 3.66Å; F76-F139 HydrophobicContact CZ-CD1 3.66Å; F76-F139 AromaticContact CZ-CE1 3.85Å; F76-F139 HydrophobicContact CZ-CE1 3.85Å; F76-F142 HydrophobicContact CB-CD2 3.42Å; F76-F142 VanDerWaalsContact CB-CD2 3.42Å; F76-F142 HydrophobicContact CB-CE2 3.26Å; F76-F142 HydrophobicContact CB-CG 4.27Å; F76-F142 HydrophobicContact CB-CZ 4.03Å; F76-F142 AromaticContact CD1-CD1 3.96Å; F76-F142 HydrophobicContact CD1-CD1 3.96Å; F76-F142 AromaticContact CD1-CD2 3.91Å; F76-F142 HydrophobicContact CD1-CD2 3.91Å; F76-F142 AromaticContact CD1-CE1 3.84Å; F76-F142 HydrophobicContact CD1-CE1 3.84Å; F76-F142 AromaticContact CD1-CE2 3.78Å; F76-F142 HydrophobicContact CD1-CE2 3.78Å; F76-F142 AromaticContact CD1-CG 3.97Å; F76-F142 HydrophobicContact CD1-CG 3.97Å; F76-F142 AromaticContact CD1-CZ 3.73Å; F76-F142 HydrophobicContact CD1-CZ 3.73Å; F76-F142 HydrophobicContact CD2-CB 3.65Å; F76-F142 HydrophobicContact CD2-CD1 4.25Å; F76-F142 AromaticContact CD2-CD2 3.47Å; F76-F142 HydrophobicContact CD2-CD2 3.47Å; F76-F142 VanDerWaalsContact CD2-CD2 3.47Å; F76-F142 HydrophobicContact CD2-CE2 4.12Å; F76-F142 AromaticContact CD2-CG 3.52Å; F76-F142 HydrophobicContact CD2-CG 3.52Å; F76-F142 AromaticContact CE1-CD1 3.93Å; F76-F142 HydrophobicContact CE1-CD1 3.93Å; F76-F142 HydrophobicContact CE1-CE1 4.05Å; F76-F142 HydrophobicContact CE1-CG 4.17Å; F76-F142 HydrophobicContact CE1-CZ 4.41Å; F76-F142 HydrophobicContact CE2-CB 3.59Å; F76-F142 HydrophobicContact CE2-CD1 4.23Å; F76-F142 HydrophobicContact CE2-CD2 4.19Å; F76-F142 AromaticContact CE2-CG 3.75Å; F76-F142 HydrophobicContact CE2-CG 3.75Å; F76-F142 HydrophobicContact CG-CB 4.29Å; F76-F142 HydrophobicContact CG-CD1 4.12Å; F76-F142 AromaticContact CG-CD2 3.3Å; F76-F142 HydrophobicContact CG-CD2 3.3Å; F76-F142 HydrophobicContact CG-CE1 4.25Å; F76-F142 AromaticContact CG-CE2 3.45Å; F76-F142 HydrophobicContact CG-CE2 3.45Å; F76-F142 VanDerWaalsContact CG-CE2 3.45Å; F76-F142 AromaticContact CG-CG 3.64Å; F76-F142 HydrophobicContact CG-CG 3.64Å; F76-F142 AromaticContact CG-CZ 3.92Å; F76-F142 HydrophobicContact CG-CZ 3.92Å; F76-F142 HydrophobicContact CZ-CB 4.19Å; F76-F142 HydrophobicContact CZ-CD1 4.07Å; F76-F142 HydrophobicContact CZ-CG 4.07Å
77	T	97.8	Very high	97	Very high	37 Å²	37	68.7 Å²	68.7	23%	0.227	35%	0.347	C	S	.	.	H	α-helix	trans	-60.6	-46.7	179	-57.2	0	0	0	0	111.1	M16 I73 G74 L75 M80 L81	M16-T77 HydrophobicContact CE-CG2 4.14Å; M16-T77 HydrophobicContact SD-CG2 3.99Å; I73-T77 WeakPolarHBondContact O-CB 3.29Å; I73-T77 PolarHBondContact O-N 2.89Å; I73-T77 PolarHBondContact O-OG1 2.87Å; G74-T77 WeakPolarHBondContact O-CB 3.47Å; G74-T77 PolarHBondContact O-N 3.03Å; G74-T77 VanDerWaalsContact O-N 3.17Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 3.35Å; T77-M80 PolarHBondContact O-N 2.85Å; T77-L81 HydrophobicContact CG2-CD1 4.22Å; T77-L81 VanDerWaalsContact O-CG 3.29Å; T77-L81 WeakPolarHBondContact O-CG 3.09Å; T77-L81 PolarHBondContact O-N 3.31Å
78	V	98.1	Very high	97	Very high	86 Å²	86	62.2 Å²	62.2	52%	0.521	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-47.3	176.5	173.6	0	0	0	0	111.3	G74 L75 F76 M80 L81 I82	G74-V78 WeakPolarHBondContact O-CG2 3.39Å; G74-V78 PolarHBondContact O-N 3.41Å; L75-V78 PolarHBondContact O-N 3.41Å; F76-V78 PolarHBondContact O-N 2.9Å; V78-M80 VanDerWaalsContact C-N 3.34Å; V78-M80 PolarHBondContact O-N 3.39Å; V78-L81 PolarHBondContact O-N 3.48Å; V78-I82 HydrophobicContact CG1-CD1 3.94Å; V78-I82 WeakPolarHBondContact O-CG1 3.23Å; V78-I82 PolarHBondContact O-N 3.29Å
79	H	98	Very high	97	Very high	81 Å²	81	61.9 Å²	61.9	38%	0.375	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-46	176.7	173.7	70.2	0	0	0	112.2	L75 F76 I82 L83 S138	L75-H79 WeakPolarHBondContact O-CB 3.46Å; L75-H79 PolarHBondContact O-N 3.29Å; F76-H79 PolarHBondContact O-N 3.48Å; H79-I82 PolarHBondContact O-N 2.93Å; H79-L83 WeakPolarHBondContact NE2-CD1 3.28Å; H79-L83 PolarHBondContact O-N 2.96Å; H79-S138 PolarHBondContact NE2-OG 3.2Å
80	M	97.9	Very high	96.8	Very high	1 Å²	1	59 Å²	59	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-44.5	176.9	-68.9	-56.9	-66.2	0	0	111.4	M16 F76 T77 V78 I82 L83 Q84 I135 S138 F139	M16-M80 HydrophobicContact SD-CB 4.23Å; F76-M80 HydrophobicContact CD1-CG 4.36Å; F76-M80 HydrophobicContact CD2-CG 3.88Å; F76-M80 HydrophobicContact CD2-SD 4.4Å; F76-M80 HydrophobicContact CE1-CG 3.97Å; F76-M80 HydrophobicContact CE2-CG 3.43Å; F76-M80 VanDerWaalsContact CE2-CG 3.43Å; F76-M80 HydrophobicContact CE2-SD 3.64Å; F76-M80 HydrophobicContact CG-CG 4.32Å; F76-M80 HydrophobicContact CZ-CG 3.47Å; F76-M80 VanDerWaalsContact CZ-CG 3.47Å; F76-M80 HydrophobicContact CZ-SD 3.96Å; F76-M80 WeakPolarHBondContact O-CB 3.37Å; F76-M80 VanDerWaalsContact O-CG 3.24Å; F76-M80 WeakPolarHBondContact O-CG 3.21Å; F76-M80 PolarHBondContact O-N 3.2Å; T77-M80 PolarHBondContact O-N 2.85Å; V78-M80 VanDerWaalsContact C-N 3.34Å; V78-M80 PolarHBondContact O-N 3.39Å; M80-I82 VanDerWaalsContact C-N 3.31Å; M80-I82 PolarHBondContact O-N 3.3Å; M80-L83 PolarHBondContact O-N 2.84Å; M80-Q84 WeakPolarHBondContact O-CB 3.49Å; M80-Q84 WeakPolarHBondContact O-CG 3.19Å; M80-Q84 PolarHBondContact O-N 3.32Å; M80-I135 HydrophobicContact CE-CB 4.39Å; M80-I135 HydrophobicContact CE-CG2 3.74Å; M80-S138 VanDerWaalsContact SD-CB 3.58Å; M80-F139 HydrophobicContact CE-CD1 4.08Å; M80-F139 HydrophobicContact CE-CD2 4.19Å; M80-F139 HydrophobicContact CE-CE1 3.52Å; M80-F139 HydrophobicContact CE-CE2 3.66Å; M80-F139 HydrophobicContact CE-CG 4.37Å; M80-F139 HydrophobicContact CE-CZ 3.28Å
81	L	97.7	Very high	96.6	Very high	91 Å²	91	52 Å²	52	48%	0.476	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-38.3	177.3	-70.1	173.3	0	0	0	112.4	T77 V78 Q84 Y85	T77-L81 HydrophobicContact CG2-CD1 4.22Å; T77-L81 VanDerWaalsContact O-CG 3.29Å; T77-L81 WeakPolarHBondContact O-CG 3.09Å; T77-L81 PolarHBondContact O-N 3.31Å; V78-L81 PolarHBondContact O-N 3.48Å; L81-Q84 PolarHBondContact O-N 3.47Å; L81-Y85 WeakPolarHBondContact O-CB 3.33Å; L81-Y85 PolarHBondContact O-N 3.43Å
82	I	97.8	Very high	96.3	Very high	90 Å²	90	51.2 Å²	51.2	46%	0.462	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-49.9	174.7	-67.4	165	0	0	0	110.5	V78 H79 M80 Q84 Y85 L86	V78-I82 HydrophobicContact CG1-CD1 3.94Å; V78-I82 WeakPolarHBondContact O-CG1 3.23Å; V78-I82 PolarHBondContact O-N 3.29Å; H79-I82 PolarHBondContact O-N 2.93Å; M80-I82 VanDerWaalsContact C-N 3.31Å; M80-I82 PolarHBondContact O-N 3.3Å; I82-Q84 PolarHBondContact O-N 2.7Å; I82-Y85 PolarHBondContact O-N 2.62Å; I82-L86 HydrophobicContact CG2-CD1 4.1Å; I82-L86 HydrophobicContact CG2-CG 4.47Å; I82-L86 WeakPolarHBondContact O-CG 3.49Å; I82-L86 PolarHBondContact O-N 3.06Å
83	L	97.6	Very high	96	Very high	15 Å²	15	50.6 Å²	50.6	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-36.3	175.9	-70.5	179.3	0	0	0	111.7	H79 M80 Q87 L131 I135	H79-L83 WeakPolarHBondContact NE2-CD1 3.28Å; H79-L83 PolarHBondContact O-N 2.96Å; M80-L83 PolarHBondContact O-N 2.84Å; L83-Q87 PolarHBondContact O-N 3.27Å; L83-Q87 VanDerWaalsContact O-N 3.08Å; L83-L131 HydrophobicContact CD2-CD2 4.07Å; L83-I135 HydrophobicContact CB-CD1 4.39Å; L83-I135 HydrophobicContact CB-CG1 3.8Å; L83-I135 HydrophobicContact CD1-CG1 4.02Å
84	Q	96.4	Very high	95.7	Very high	13 Å²	13	51.3 Å²	51.3	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-43.2	-179.9	-63.8	-83.6	-20.3	0	0	112.1	H20 R23 M80 L81 I82 Q87 D88	H20-Q84 PolarHBondContact ND1-NE2 2.66Å; R23-Q84 VanDerWaalsContact NE-OE1 3.09Å; R23-Q84 VanDerWaalsContact NH1-CA 3.28Å; R23-Q84 VanDerWaalsContact NH1-CD 3.26Å; R23-Q84 PolarHBondContact NH1-O 3.43Å; M80-Q84 WeakPolarHBondContact O-CB 3.49Å; M80-Q84 WeakPolarHBondContact O-CG 3.19Å; M80-Q84 PolarHBondContact O-N 3.32Å; L81-Q84 PolarHBondContact O-N 3.47Å; I82-Q84 PolarHBondContact O-N 2.7Å; Q84-Q87 PolarHBondContact O-N 3.17Å; Q84-D88 PolarHBondContact O-N 3.15Å; Q84-D88 VanDerWaalsContact O-N 3.13Å
85	Y	96.3	Very high	95.2	Very high	150 Å²	150	50.3 Å²	50.3	59%	0.588	25%	0.247	S	C	*	.	H	α-helix	trans	-63	-45.8	174.6	173.1	-100.9	0	0	0	112.3	L81 I82 Q87 D88 L89	L81-Y85 WeakPolarHBondContact O-CB 3.33Å; L81-Y85 PolarHBondContact O-N 3.43Å; I82-Y85 PolarHBondContact O-N 2.62Å; Y85-Q87 VanDerWaalsContact C-N 3.27Å; Y85-Q87 PolarHBondContact O-N 3.48Å; Y85-D88 PolarHBondContact O-N 3.37Å; Y85-L89 WeakPolarHBondContact O-CB 3.26Å; Y85-L89 PolarHBondContact O-N 3.02Å
86	L	96.3	Very high	94.6	Very high	47 Å²	47	47.6 Å²	47.6	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-38.3	177.9	-70.4	175.1	0	0	0	111.7	I82 V90 L131	I82-L86 HydrophobicContact CG2-CD1 4.1Å; I82-L86 HydrophobicContact CG2-CG 4.47Å; I82-L86 WeakPolarHBondContact O-CG 3.49Å; I82-L86 PolarHBondContact O-N 3.06Å; L86-V90 VanDerWaalsContact O-CG2 3.29Å; L86-V90 WeakPolarHBondContact O-CG2 3.35Å; L86-V90 PolarHBondContact O-N 3.44Å; L86-V90 VanDerWaalsContact O-N 3.11Å; L86-L131 HydrophobicContact CB-CD1 3.97Å; L86-L131 HydrophobicContact CB-CD2 3.91Å; L86-L131 HydrophobicContact CD1-CD2 4.16Å
87	Q	95.3	Very high	94	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-48.1	175.9	-170.2	91	25.4	0	0	111.8	L83 Q84 Y85 L89 V90 F91 H128 L131	L83-Q87 PolarHBondContact O-N 3.27Å; L83-Q87 VanDerWaalsContact O-N 3.08Å; Q84-Q87 PolarHBondContact O-N 3.17Å; Y85-Q87 VanDerWaalsContact C-N 3.27Å; Y85-Q87 PolarHBondContact O-N 3.48Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 2.93Å; Q87-V90 PolarHBondContact O-N 3.47Å; Q87-F91 HydrophobicContact CG-CD2 3.73Å; Q87-F91 HydrophobicContact CG-CE2 3.67Å; Q87-F91 WeakPolarHBondContact O-CD2 3.36Å; Q87-F91 PolarHBondContact O-N 3.44Å; Q87-H128 PolarHBondContact NE2-O 3.43Å; Q87-H128 PolarHBondContact OE1-O 2.89Å; Q87-L131 HydrophobicContact CB-CD1 4.45Å
88	D	94.3	Very high	93	Very high	27 Å²	27	53.6 Å²	53.6	14%	0.144	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-42.7	179.9	177.6	64.8	0	0	0	110.5	Q84 Y85 V90 F91 R92	Q84-D88 PolarHBondContact O-N 3.15Å; Q84-D88 VanDerWaalsContact O-N 3.13Å; Y85-D88 PolarHBondContact O-N 3.37Å; D88-V90 VanDerWaalsContact C-N 3.34Å; D88-V90 PolarHBondContact O-N 3.28Å; D88-F91 PolarHBondContact O-N 2.74Å; D88-R92 VanDerWaalsContact CG-NE 3.35Å; D88-R92 WeakPolarHBondContact O-CG 3.43Å; D88-R92 PolarHBondContact O-N 2.9Å; D88-R92 IonicContact OD1-CZ 3.59Å; D88-R92 IonicContact OD1-NE 3.31Å; D88-R92 PolarHBondContact OD1-NE 3.47Å; D88-R92 IonicContact OD1-NH2 3.2Å; D88-R92 PolarHBondContact OD1-NH2 3.38Å; D88-R92 IonicContact OD2-CZ 3.39Å; D88-R92 IonicContact OD2-NE 2.75Å; D88-R92 PolarHBondContact OD2-NE 3.49Å; D88-R92 IonicContact OD2-NH2 3.15Å; D88-R92 PolarHBondContact OD2-NH2 3.18Å; D88-R92 VanDerWaalsContact OD2-NH2 3.15Å
89	L	94.2	Very high	91.6	Very high	53 Å²	53	53 Å²	53	28%	0.277	26%	0.263	S	S	.	.	H	α-helix	trans	-55.1	-49.2	173.9	178	65.1	0	0	0	111.6	Y85 Q87 R92 Q93	Y85-L89 WeakPolarHBondContact O-CB 3.26Å; Y85-L89 PolarHBondContact O-N 3.02Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 2.93Å; L89-R92 PolarHBondContact O-N 3.31Å; L89-Q93 WeakPolarHBondContact O-CG 3.46Å; L89-Q93 PolarHBondContact O-N 2.86Å
90	V	93.5	Very high	89.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-39.6	179.8	169.8	0	0	0	0	111.6	L86 Q87 D88 Q93 L94 M120 F121 P127 H128 L131	L86-V90 VanDerWaalsContact O-CG2 3.29Å; L86-V90 WeakPolarHBondContact O-CG2 3.35Å; L86-V90 PolarHBondContact O-N 3.44Å; L86-V90 VanDerWaalsContact O-N 3.11Å; Q87-V90 PolarHBondContact O-N 3.47Å; D88-V90 VanDerWaalsContact C-N 3.34Å; D88-V90 PolarHBondContact O-N 3.28Å; V90-Q93 WeakPolarHBondContact O-CB 3.24Å; V90-Q93 PolarHBondContact O-N 2.95Å; V90-L94 WeakPolarHBondContact O-CG 3.47Å; V90-L94 PolarHBondContact O-N 3.17Å; V90-L94 VanDerWaalsContact O-N 3.07Å; V90-M120 HydrophobicContact CG2-SD 4.28Å; V90-F121 HydrophobicContact CB-CE2 4.33Å; V90-F121 HydrophobicContact CG1-CE1 4.49Å; V90-F121 HydrophobicContact CG1-CE2 3.59Å; V90-F121 HydrophobicContact CG1-CZ 3.49Å; V90-F121 VanDerWaalsContact CG1-CZ 3.49Å; V90-P127 HydrophobicContact CG1-CG 3.85Å; V90-P127 HydrophobicContact CG2-CB 4.32Å; V90-P127 HydrophobicContact CG2-CG 4.09Å; V90-H128 HydrophobicContact CG1-CB 3.66Å; V90-L131 HydrophobicContact CG2-CD1 4.04Å
91	F	92.6	Very high	87.6	Confident	39 Å²	39	60.1 Å²	60.1	17%	0.171	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-38.7	176.6	-86.5	-63.3	0	0	0	113	E27 Q87 D88 Q93 L94 A95 H128	E27-F91 HydrophobicContact CG-CD2 4.24Å; E27-F91 WeakPolarHBondContact OE1-CD2 3.47Å; E27-F91 WeakPolarHBondContact OE2-CD2 3.29Å; E27-F91 WeakPolarHBondContact OE2-CE2 3.29Å; Q87-F91 HydrophobicContact CG-CD2 3.73Å; Q87-F91 HydrophobicContact CG-CE2 3.67Å; Q87-F91 WeakPolarHBondContact O-CD2 3.36Å; Q87-F91 PolarHBondContact O-N 3.44Å; D88-F91 PolarHBondContact O-N 2.74Å; F91-Q93 VanDerWaalsContact C-N 3.31Å; F91-Q93 PolarHBondContact O-N 3.49Å; F91-L94 HydrophobicContact CD1-CD1 4.29Å; F91-L94 PolarHBondContact O-N 2.9Å; F91-A95 WeakPolarHBondContact O-CB 3.46Å; F91-A95 PolarHBondContact O-N 3.17Å; F91-H128 HydrophobicContact CZ-CB 4.42Å
92	R	91.2	Very high	85.3	Confident	108 Å²	108	60.4 Å²	60.4	41%	0.408	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-39.8	173.3	-71.3	177.9	-168	-78.8	-9	111.8	Y26 V31 D88 L89 A95 A96	Y26-R92 PolarHBondContact OH-NH2 3.47Å; Y26-R92 VanDerWaalsContact OH-NH2 3.17Å; V31-R92 HydrophobicContact CG1-CG 3.98Å; D88-R92 VanDerWaalsContact CG-NE 3.35Å; D88-R92 WeakPolarHBondContact O-CG 3.43Å; D88-R92 PolarHBondContact O-N 2.9Å; D88-R92 IonicContact OD1-CZ 3.59Å; D88-R92 IonicContact OD1-NE 3.31Å; D88-R92 PolarHBondContact OD1-NE 3.47Å; D88-R92 IonicContact OD1-NH2 3.2Å; D88-R92 PolarHBondContact OD1-NH2 3.38Å; D88-R92 IonicContact OD2-CZ 3.39Å; D88-R92 IonicContact OD2-NE 2.75Å; D88-R92 PolarHBondContact OD2-NE 3.49Å; D88-R92 IonicContact OD2-NH2 3.15Å; D88-R92 PolarHBondContact OD2-NH2 3.18Å; D88-R92 VanDerWaalsContact OD2-NH2 3.15Å; L89-R92 PolarHBondContact O-N 3.31Å; R92-A95 PolarHBondContact O-N 2.92Å; R92-A96 WeakPolarHBondContact O-CB 3.42Å; R92-A96 PolarHBondContact O-N 3.34Å
93	Q	90.7	Very high	83.1	Confident	38 Å²	38	65.1 Å²	65.1	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-44.3	173.3	-71.3	175.4	-43.6	0	0	111.6	L89 V90 F91 A95 A96 L97 G118 F121	L89-Q93 WeakPolarHBondContact O-CG 3.46Å; L89-Q93 PolarHBondContact O-N 2.86Å; V90-Q93 WeakPolarHBondContact O-CB 3.24Å; V90-Q93 PolarHBondContact O-N 2.95Å; F91-Q93 VanDerWaalsContact C-N 3.31Å; F91-Q93 PolarHBondContact O-N 3.49Å; Q93-A95 PolarHBondContact O-N 3.28Å; Q93-A96 PolarHBondContact O-N 2.87Å; Q93-L97 WeakPolarHBondContact O-CG 3.42Å; Q93-L97 PolarHBondContact O-N 3.18Å; Q93-G118 PolarHBondContact NE2-O 3.43Å; Q93-F121 HydrophobicContact CB-CD2 4.43Å; Q93-F121 HydrophobicContact CB-CE2 4Å
94	L	90	Very high	80.9	Confident	37 Å²	37	71.7 Å²	71.7	19%	0.194	37%	0.367	C	S	.	.	H	α-helix	trans	-64.6	-38	175.9	-70.6	171.6	0	0	0	112.8	V90 F91 L97 P116 F121	V90-L94 WeakPolarHBondContact O-CG 3.47Å; V90-L94 PolarHBondContact O-N 3.17Å; V90-L94 VanDerWaalsContact O-N 3.07Å; F91-L94 HydrophobicContact CD1-CD1 4.29Å; F91-L94 PolarHBondContact O-N 2.9Å; L94-L97 HydrophobicContact CD2-CD1 4.27Å; L94-L97 PolarHBondContact O-N 3.01Å; L94-P116 HydrophobicContact CD2-CB 4.14Å; L94-P116 HydrophobicContact CD2-CG 4.34Å; L94-F121 HydrophobicContact CD1-CZ 4.06Å; L94-F121 HydrophobicContact CD2-CE1 4.06Å; L94-F121 HydrophobicContact CD2-CE2 4.42Å; L94-F121 HydrophobicContact CD2-CZ 3.58Å; L94-F121 HydrophobicContact CG-CE2 4.27Å; L94-F121 HydrophobicContact CG-CZ 3.63Å
95	A	87.5	Confident	78.9	Confident	14 Å²	14	74.6 Å²	74.6	12%	0.116	39%	0.386	C	S	.	.	H	α-helix	trans	-66	-41.7	176.4	0	0	0	0	0	112.1	V31 F91 R92 Q93 L97 R98 S99	V31-A95 HydrophobicContact CG1-CB 3.77Å; V31-A95 WeakPolarHBondContact O-CB 3.42Å; F91-A95 WeakPolarHBondContact O-CB 3.46Å; F91-A95 PolarHBondContact O-N 3.17Å; R92-A95 PolarHBondContact O-N 2.92Å; Q93-A95 PolarHBondContact O-N 3.28Å; A95-L97 PolarHBondContact O-N 3.46Å; A95-R98 PolarHBondContact O-N 3.42Å; A95-S99 PolarHBondContact O-N 3.45Å; A95-S99 VanDerWaalsContact O-N 3.11Å
96	A	86.5	Confident	76.6	Confident	58 Å²	58	71.6 Å²	71.6	48%	0.479	40%	0.401	S	S	.	.	H	α-helix	trans	-59.9	-31.9	178.2	0	0	0	0	0	112.8	R92 Q93 R98 S99	R92-A96 WeakPolarHBondContact O-CB 3.42Å; R92-A96 PolarHBondContact O-N 3.34Å; Q93-A96 PolarHBondContact O-N 2.87Å; A96-R98 PolarHBondContact O-N 2.91Å; A96-S99 WeakPolarHBondContact CA-OG 3.48Å; A96-S99 PolarHBondContact O-N 2.99Å; A96-S99 PolarHBondContact O-OG 3.38Å
97	L	84.5	Confident	74.1	Confident	53 Å²	53	77.6 Å²	77.6	28%	0.277	43%	0.425	S	S	.	.	H	α-helix	trans	-65.9	-26.7	174.8	-62.3	164.1	0	0	0	112.8	Q93 L94 A95 P116	Q93-L97 WeakPolarHBondContact O-CG 3.42Å; Q93-L97 PolarHBondContact O-N 3.18Å; L94-L97 HydrophobicContact CD2-CD1 4.27Å; L94-L97 PolarHBondContact O-N 3.01Å; A95-L97 PolarHBondContact O-N 3.46Å; L97-P116 VanDerWaalsContact CD1-CA 3.43Å; L97-P116 HydrophobicContact CD1-CB 3.54Å; L97-P116 HydrophobicContact CD1-CG 4.46Å
98	R	77.2	Confident	71.7	Confident	124 Å²	124	84.4 Å²	84.4	47%	0.468	46%	0.461	S	S	.	.	H	α-helix	trans	-90	-22.7	178.1	-66.5	-172.8	177	164.4	4.1	112.5	I33 A95 A96 G100	I33-R98 HydrophobicContact CB-CB 3.93Å; I33-R98 HydrophobicContact CD1-CB 4.02Å; I33-R98 HydrophobicContact CG2-CB 4.1Å; I33-R98 WeakPolarHBondContact O-CD 3.25Å; I33-R98 PolarHBondContact O-NH1 2.96Å; A95-R98 PolarHBondContact O-N 3.42Å; A96-R98 PolarHBondContact O-N 2.91Å; R98-G100 VanDerWaalsContact C-N 3.29Å; R98-G100 PolarHBondContact O-N 3.43Å
99	S	68.5	Low	69.3	Low	75 Å²	75	86.5 Å²	86.5	52%	0.524	48%	0.477	S	S	.	.	H	α-helix	trans	-77.5	-11.6	178.4	67.9	0	0	0	0	113.7	A95 A96 K101	A95-S99 PolarHBondContact O-N 3.45Å; A95-S99 VanDerWaalsContact O-N 3.11Å; A96-S99 WeakPolarHBondContact CA-OG 3.48Å; A96-S99 PolarHBondContact O-N 2.99Å; A96-S99 PolarHBondContact O-OG 3.38Å; S99-K101 PolarHBondContact O-N 3.39Å
100	G	58.8	Low	67.1	Low	61 Å²	61	91.5 Å²	91.5	63%	0.629	50%	0.5	S	S	*	.			trans	-65.2	26.5	175.1	0	0	0	0	0	115.7	R98 N102	R98-G100 VanDerWaalsContact C-N 3.29Å; R98-G100 PolarHBondContact O-N 3.43Å; G100-N102 PolarHBondContact O-N 2.97Å
101	K	52.3	Low	65.3	Low	169 Å²	169	98.5 Å²	98.5	74%	0.735	53%	0.53	S	S	*	.			trans	-60.8	122.1	175.3	-147.1	178.1	-174.9	-176.9	0	107.9	S99 E103	S99-K101 PolarHBondContact O-N 3.39Å; K101-E103 PolarHBondContact O-N 2.96Å
102	N	49.1	Very low	63.9	Low	98 Å²	98	103.1 Å²	103.1	52%	0.524	55%	0.55	S	S	.	.			trans	-55.4	98.1	170.7	-97	-28.8	0	0	0	109.8	G100 N104 T105	G100-N102 PolarHBondContact O-N 2.97Å; N102-N104 PolarHBondContact O-N 3.27Å; N102-N104 VanDerWaalsContact O-N 3.09Å; N102-T105 PolarHBondContact O-N 3.47Å
103	E	52.3	Low	63.1	Low	188 Å²	188	103.5 Å²	103.5	88%	0.879	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-22.2	173.8	-68.8	-173.8	153.3	0	0	111.8	K101 T105	K101-E103 PolarHBondContact O-N 2.96Å; E103-T105 PolarHBondContact O-N 3.36Å
104	N	51	Low	62.7	Low	153 Å²	153	108 Å²	108	82%	0.818	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	3.1	-171.4	-66.8	-24.4	0	0	0	116.4	N102	N102-N104 PolarHBondContact O-N 3.27Å; N102-N104 VanDerWaalsContact O-N 3.09Å
105	T	53.8	Low	62.4	Low	75 Å²	75	107.4 Å²	107.4	46%	0.46	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.8	-13.6	-173.7	57.4	0	0	0	0	117.2	N102 E103 K107	N102-T105 PolarHBondContact O-N 3.47Å; E103-T105 PolarHBondContact O-N 3.36Å; T105-K107 PolarHBondContact O-N 3.04Å
106	G	47.9	Very low	62.4	Low	87 Å²	87	106.8 Å²	106.8	90%	0.897	56%	0.562	S	S	*	*	S	Bend	trans	57.6	-7.5	179	0	0	0	0	0	116.2
107	K	44.6	Very low	62.3	Low	172 Å²	172	110.1 Å²	110.1	75%	0.748	57%	0.568	S	S	*	*	S	Bend	trans	-97.9	138.1	174.5	-72	-178.5	175.9	-180	0	107.2	T105 S109	T105-K107 PolarHBondContact O-N 3.04Å; K107-S109 VanDerWaalsContact C-N 3.28Å; K107-S109 PolarHBondContact O-N 2.84Å
108	L	45.4	Very low	62.3	Low	143 Å²	143	108.5 Å²	108.5	75%	0.749	56%	0.563	S	S	*	*			trans	-57	100.7	163.9	-82.1	98.5	0	0	0	106.7	E110	L108-E110 PolarHBondContact O-N 3.37Å
109	S	43.6	Very low	62.8	Low	71 Å²	71	104.5 Å²	104.5	50%	0.497	55%	0.554	S	S	.	*			trans	-51.4	127.6	161.9	-164.2	0	0	0	0	105.5	K107 K111	K107-S109 VanDerWaalsContact C-N 3.28Å; K107-S109 PolarHBondContact O-N 2.84Å; S109-K111 PolarHBondContact O-N 3.27Å
110	E	48.4	Very low	63.7	Low	159 Å²	159	102.8 Å²	102.8	74%	0.743	54%	0.539	S	S	*	.			trans	-36.6	129.8	177.8	-69.8	175.2	150.8	0	0	109.1	L108 K112	L108-E110 PolarHBondContact O-N 3.37Å; E110-K112 PolarHBondContact O-N 3.06Å
111	K	56	Low	65.2	Low	146 Å²	146	100 Å²	100	64%	0.635	51%	0.509	S	S	*	.			trans	-53.2	74.2	-172.1	-65.9	174.5	179.5	173.1	0	112.1	S109 Y113	S109-K111 PolarHBondContact O-N 3.27Å; K111-Y113 HydrophobicContact CB-CE2 4.44Å; K111-Y113 WeakPolarHBondContact O-CD2 3.48Å; K111-Y113 PolarHBondContact O-N 3.28Å
112	K	63	Low	66.9	Low	136 Å²	136	96.5 Å²	96.5	59%	0.591	50%	0.495	S	S	*	.			trans	-77.4	107.4	175.5	-77.6	-175.9	-179.2	-178.6	0	105.7	E110 Y114	E110-K112 PolarHBondContact O-N 3.06Å; K112-Y114 HydrophobicContact CB-CE2 4.05Å; K112-Y114 VanDerWaalsContact O-CD2 3.3Å; K112-Y114 WeakPolarHBondContact O-CD2 3.38Å; K112-Y114 VanDerWaalsContact O-CE2 3.25Å; K112-Y114 WeakPolarHBondContact O-CE2 3.39Å
113	Y	74.5	Confident	68.7	Low	117 Å²	117	99.5 Å²	99.5	46%	0.459	50%	0.499	S	S	.	.			trans	-69.8	140.4	167	-72.1	-94.9	0	0	0	107.9	K111 W171 F176	K111-Y113 HydrophobicContact CB-CE2 4.44Å; K111-Y113 WeakPolarHBondContact O-CD2 3.48Å; K111-Y113 PolarHBondContact O-N 3.28Å; Y113-W171 AromaticContact CD1-CH2 3.67Å; Y113-W171 HydrophobicContact CD1-CH2 3.67Å; Y113-W171 HydrophobicContact CD1-CZ2 4.18Å; Y113-W171 HydrophobicContact CD2-CH2 4.07Å; Y113-W171 HydrophobicContact CD2-CZ2 4.05Å; Y113-W171 HydrophobicContact CE1-CH2 4.31Å; Y113-W171 HydrophobicContact CE1-CZ2 4.45Å; Y113-W171 HydrophobicContact CE2-CZ2 4.35Å; Y113-W171 AromaticContact CG-CH2 3.52Å; Y113-W171 HydrophobicContact CG-CH2 3.52Å; Y113-W171 AromaticContact CG-CZ2 3.97Å; Y113-W171 HydrophobicContact CG-CZ2 3.97Å; Y113-F176 WeakPolarHBondContact O-CZ 3.44Å
114	Y	81.6	Confident	70.5	Confident	131 Å²	131	91.4 Å²	91.4	51%	0.514	46%	0.462	S	S	.	.			trans	-114.4	136	173.6	-64.3	-83.3	0	0	0	108.3	K112	K112-Y114 HydrophobicContact CB-CE2 4.05Å; K112-Y114 VanDerWaalsContact O-CD2 3.3Å; K112-Y114 WeakPolarHBondContact O-CD2 3.38Å; K112-Y114 VanDerWaalsContact O-CE2 3.25Å; K112-Y114 WeakPolarHBondContact O-CE2 3.39Å
115	P	84.4	Confident	72.3	Confident	26 Å²	26	84.1 Å²	84.1	17%	0.169	42%	0.423	C	S	.	.			trans	-71.6	139.1	176.6	33.3	-35.8	0	0	0	109.5	F176 W179	P115-F176 HydrophobicContact CB-CD1 4.4Å; P115-F176 HydrophobicContact CB-CD2 4.4Å; P115-F176 HydrophobicContact CB-CG 4.18Å; P115-F176 HydrophobicContact CG-CD1 4.07Å; P115-F176 HydrophobicContact CG-CE1 4.43Å; P115-F176 HydrophobicContact CG-CG 4.33Å; P115-W179 HydrophobicContact CB-CB 4.34Å; P115-W179 HydrophobicContact CB-CD2 3.57Å; P115-W179 HydrophobicContact CB-CE3 4.18Å; P115-W179 HydrophobicContact CB-CG 3.6Å; P115-W179 HydrophobicContact CB-CZ2 4.29Å; P115-W179 HydrophobicContact CG-CB 4.45Å; P115-W179 HydrophobicContact CG-CD2 4.46Å; P115-W179 HydrophobicContact CG-CG 3.99Å
116	P	86.8	Confident	74.1	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	40%	0.402	C	S	.	.			trans	-66.5	145.4	-177.9	23.8	-30.8	0	0	0	112.3	L94 L97 F121 W179	L94-P116 HydrophobicContact CD2-CB 4.14Å; L94-P116 HydrophobicContact CD2-CG 4.34Å; L97-P116 VanDerWaalsContact CD1-CA 3.43Å; L97-P116 HydrophobicContact CD1-CB 3.54Å; L97-P116 HydrophobicContact CD1-CG 4.46Å; P116-F121 HydrophobicContact CB-CB 4.29Å; P116-F121 HydrophobicContact CB-CD1 3.55Å; P116-F121 HydrophobicContact CB-CD2 3.92Å; P116-F121 HydrophobicContact CB-CE1 3.66Å; P116-F121 HydrophobicContact CB-CE2 4.04Å; P116-F121 HydrophobicContact CB-CG 3.68Å; P116-F121 HydrophobicContact CB-CZ 3.92Å; P116-F121 HydrophobicContact CG-CD1 3.39Å; P116-F121 HydrophobicContact CG-CE1 3.5Å; P116-F121 VanDerWaalsContact CG-CE1 3.5Å; P116-F121 HydrophobicContact CG-CG 4.01Å; P116-F121 HydrophobicContact CG-CZ 4.23Å; P116-W179 HydrophobicContact CG-CH2 3.89Å; P116-W179 HydrophobicContact CG-CZ2 3.69Å; P116-W179 VanDerWaalsContact O-CE2 3.3Å; P116-W179 WeakPolarHBondContact O-CZ2 3.32Å; P116-W179 PolarHBondContact O-NE1 3.36Å
117	E	84	Confident	76.3	Confident	129 Å²	129	76.5 Å²	76.5	60%	0.603	36%	0.359	S	S	*	.			trans	-133.6	157.1	175.7	-63.4	-162.7	156.2	0	0	111.4
118	G	85.2	Confident	78.6	Confident	18 Å²	18	69.3 Å²	69.3	19%	0.186	33%	0.328	C	S	.	.	S	Bend	trans	95.8	155.5	178.9	0	0	0	0	0	114.4	Q93 M120 F121 H122	Q93-G118 PolarHBondContact NE2-O 3.43Å; G118-M120 PolarHBondContact O-N 2.86Å; G118-F121 WeakPolarHBondContact O-CB 3.28Å; G118-F121 PolarHBondContact O-N 2.63Å; G118-F121 VanDerWaalsContact O-N 3.1Å; G118-H122 VanDerWaalsContact CA-NE2 3.32Å; G118-H122 WeakPolarHBondContact CA-NE2 3.41Å; G118-H122 PolarHBondContact N-NE2 3.15Å
119	S	87.5	Confident	80.9	Confident	41 Å²	41	64.6 Å²	64.6	29%	0.287	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	51.3	-130.4	174.9	-170.6	0	0	0	0	111.9	F121 H122	S119-F121 PolarHBondContact O-N 3.23Å; S119-H122 PolarHBondContact O-CD2 2.77Å; S119-H122 VanDerWaalsContact O-CD2 3.3Å; S119-H122 PolarHBondContact O-N 3.29Å
120	M	87.9	Confident	83.3	Confident	39 Å²	39	62.5 Å²	62.5	19%	0.192	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-67.5	-19.1	-177.1	-56.6	-179.7	83.9	0	0	113.5	V90 G118 H122 W123 I124 P127 L131	V90-M120 HydrophobicContact CG2-SD 4.28Å; G118-M120 PolarHBondContact O-N 2.86Å; M120-H122 PolarHBondContact O-N 3.42Å; M120-W123 PolarHBondContact O-N 3.3Å; M120-I124 PolarHBondContact O-N 2.88Å; M120-I124 VanDerWaalsContact O-N 3.13Å; M120-P127 HydrophobicContact CB-CB 3.49Å; M120-P127 VanDerWaalsContact CB-CB 3.49Å; M120-P127 HydrophobicContact CB-CG 3.81Å; M120-P127 HydrophobicContact CE-CB 4.46Å; M120-P127 HydrophobicContact CG-CB 4.42Å; M120-P127 HydrophobicContact SD-CB 4.17Å; M120-L131 HydrophobicContact CE-CD2 4.02Å; M120-L131 HydrophobicContact CE-CG 4.26Å; M120-L131 HydrophobicContact SD-CD1 3.78Å; M120-L131 HydrophobicContact SD-CD2 4.12Å; M120-L131 HydrophobicContact SD-CG 4.15Å
121	F	89.5	Confident	85.6	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-67.5	-11.8	176.2	-69.5	-74.5	0	0	0	113.1	V90 Q93 L94 P116 G118 S119 W123 I124 P127 R183	V90-F121 HydrophobicContact CB-CE2 4.33Å; V90-F121 HydrophobicContact CG1-CE1 4.49Å; V90-F121 HydrophobicContact CG1-CE2 3.59Å; V90-F121 HydrophobicContact CG1-CZ 3.49Å; V90-F121 VanDerWaalsContact CG1-CZ 3.49Å; Q93-F121 HydrophobicContact CB-CD2 4.43Å; Q93-F121 HydrophobicContact CB-CE2 4Å; L94-F121 HydrophobicContact CD1-CZ 4.06Å; L94-F121 HydrophobicContact CD2-CE1 4.06Å; L94-F121 HydrophobicContact CD2-CE2 4.42Å; L94-F121 HydrophobicContact CD2-CZ 3.58Å; L94-F121 HydrophobicContact CG-CE2 4.27Å; L94-F121 HydrophobicContact CG-CZ 3.63Å; P116-F121 HydrophobicContact CB-CB 4.29Å; P116-F121 HydrophobicContact CB-CD1 3.55Å; P116-F121 HydrophobicContact CB-CD2 3.92Å; P116-F121 HydrophobicContact CB-CE1 3.66Å; P116-F121 HydrophobicContact CB-CE2 4.04Å; P116-F121 HydrophobicContact CB-CG 3.68Å; P116-F121 HydrophobicContact CB-CZ 3.92Å; P116-F121 HydrophobicContact CG-CD1 3.39Å; P116-F121 HydrophobicContact CG-CE1 3.5Å; P116-F121 VanDerWaalsContact CG-CE1 3.5Å; P116-F121 HydrophobicContact CG-CG 4.01Å; P116-F121 HydrophobicContact CG-CZ 4.23Å; G118-F121 WeakPolarHBondContact O-CB 3.28Å; G118-F121 PolarHBondContact O-N 2.63Å; G118-F121 VanDerWaalsContact O-N 3.1Å; S119-F121 PolarHBondContact O-N 3.23Å; F121-W123 VanDerWaalsContact C-N 3.31Å; F121-I124 WeakPolarHBondContact CA-O 3.46Å; F121-P127 VanDerWaalsContact CD1-CD 3.49Å; F121-P127 HydrophobicContact CD1-CG 3.74Å; F121-P127 HydrophobicContact CD2-CG 4.27Å; F121-P127 VanDerWaalsContact CE1-CD 3.41Å; F121-P127 HydrophobicContact CE1-CG 3.7Å; F121-P127 HydrophobicContact CE2-CG 4.22Å; F121-P127 HydrophobicContact CG-CG 4.04Å; F121-P127 HydrophobicContact CZ-CG 3.93Å; F121-R183 WeakPolarHBondContact O-CD 3.4Å; F121-R183 PolarHBondContact O-NE 2.79Å
122	H	87.5	Confident	87.5	Confident	97 Å²	97	48.5 Å²	48.5	45%	0.449	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-68.9	-30.3	172.8	-73.9	-64.2	0	0	0	113.2	G118 S119 M120	G118-H122 VanDerWaalsContact CA-NE2 3.32Å; G118-H122 WeakPolarHBondContact CA-NE2 3.41Å; G118-H122 PolarHBondContact N-NE2 3.15Å; S119-H122 PolarHBondContact O-CD2 2.77Å; S119-H122 VanDerWaalsContact O-CD2 3.3Å; S119-H122 PolarHBondContact O-N 3.29Å; M120-H122 PolarHBondContact O-N 3.42Å
123	W	87	Confident	89.1	Confident	161 Å²	161	42.9 Å²	42.9	61%	0.61	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-31.5	-174.1	-50.3	-61	0	0	0	112.5	M120 F121 R183 A184	M120-W123 PolarHBondContact O-N 3.3Å; F121-W123 VanDerWaalsContact C-N 3.31Å; W123-R183 WeakPolarHBondContact O-CA 3.37Å; W123-A184 PolarHBondContact O-N 3.32Å
124	I	90.8	Very high	90.2	Very high	17 Å²	17	39 Å²	39	9%	0.087	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-131.4	140.1	-170.9	-58.9	166.6	0	0	0	110.5	M120 F121 P127 I130 A184 M185	M120-I124 PolarHBondContact O-N 2.88Å; M120-I124 VanDerWaalsContact O-N 3.13Å; F121-I124 WeakPolarHBondContact CA-O 3.46Å; I124-P127 WeakPolarHBondContact O-CD 3.32Å; I124-I130 HydrophobicContact CD1-CD1 3.82Å; I124-I130 HydrophobicContact CG2-CD1 3.58Å; I124-A184 WeakPolarHBondContact CA-O 3.08Å; I124-M185 WeakPolarHBondContact CG2-O 3.37Å
125	T	89.3	Confident	91	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	16%	0.163	C	C	.	.	S	Bend	trans	-68.3	-38.3	-178.7	-57.4	0	0	0	0	113.2	H169 Y172 W179 A184	T125-H169 WeakPolarHBondContact CB-ND1 3.42Å; T125-H169 HydrophobicContact CG2-CB 4.24Å; T125-H169 PolarHBondContact OG1-CE1 3.06Å; T125-H169 PolarHBondContact OG1-ND1 3.32Å; T125-Y172 HydrophobicContact CG2-CD2 3.43Å; T125-Y172 VanDerWaalsContact CG2-CD2 3.43Å; T125-Y172 HydrophobicContact CG2-CE2 4.14Å; T125-Y172 HydrophobicContact CG2-CG 4Å; T125-W179 HydrophobicContact CG2-CH2 3.99Å; T125-W179 HydrophobicContact CG2-CZ3 3.76Å; T125-A184 PolarHBondContact N-O 2.83Å
126	C	91.1	Very high	91.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.014	16%	0.155	C	C	.	.			trans	-135.5	66.9	-176.2	-59.4	0	0	0	0	113	H128 Y129 I165	C126-H128 VanDerWaalsContact C-N 3.26Å; C126-H128 PolarHBondContact O-N 2.92Å; C126-Y129 HydrophobicContact CB-CD2 3.43Å; C126-Y129 VanDerWaalsContact CB-CD2 3.43Å; C126-Y129 HydrophobicContact CB-CE2 3.97Å; C126-Y129 HydrophobicContact CB-CG 4.4Å; C126-Y129 PolarHBondContact O-N 2.84Å; C126-I165 HydrophobicContact CB-CG1 4.35Å
127	P	93.7	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-31.5	-176.8	21.9	-33.4	0	0	0	114	V90 M120 F121 I124 Y129 I130 L131	V90-P127 HydrophobicContact CG1-CG 3.85Å; V90-P127 HydrophobicContact CG2-CB 4.32Å; V90-P127 HydrophobicContact CG2-CG 4.09Å; M120-P127 HydrophobicContact CB-CB 3.49Å; M120-P127 VanDerWaalsContact CB-CB 3.49Å; M120-P127 HydrophobicContact CB-CG 3.81Å; M120-P127 HydrophobicContact CE-CB 4.46Å; M120-P127 HydrophobicContact CG-CB 4.42Å; M120-P127 HydrophobicContact SD-CB 4.17Å; F121-P127 VanDerWaalsContact CD1-CD 3.49Å; F121-P127 HydrophobicContact CD1-CG 3.74Å; F121-P127 HydrophobicContact CD2-CG 4.27Å; F121-P127 VanDerWaalsContact CE1-CD 3.41Å; F121-P127 HydrophobicContact CE1-CG 3.7Å; F121-P127 HydrophobicContact CE2-CG 4.22Å; F121-P127 HydrophobicContact CG-CG 4.04Å; F121-P127 HydrophobicContact CZ-CG 3.93Å; I124-P127 WeakPolarHBondContact O-CD 3.32Å; P127-Y129 PolarHBondContact O-N 3.16Å; P127-I130 PolarHBondContact O-N 3.41Å; P127-I130 VanDerWaalsContact O-N 3.11Å; P127-L131 WeakPolarHBondContact O-CB 3.46Å; P127-L131 WeakPolarHBondContact O-CG 3.47Å; P127-L131 PolarHBondContact O-N 2.85Å
128	H	93.4	Very high	92.8	Very high	21 Å²	21	29.7 Å²	29.7	10%	0.097	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-29.9	179.2	60.8	-80.1	0	0	0	113.5	Q87 V90 F91 C126 E132	Q87-H128 PolarHBondContact NE2-O 3.43Å; Q87-H128 PolarHBondContact OE1-O 2.89Å; V90-H128 HydrophobicContact CG1-CB 3.66Å; F91-H128 HydrophobicContact CZ-CB 4.42Å; C126-H128 VanDerWaalsContact C-N 3.26Å; C126-H128 PolarHBondContact O-N 2.92Å; H128-E132 WeakPolarHBondContact O-CB 3.32Å; H128-E132 PolarHBondContact O-N 3.08Å; H128-E132 VanDerWaalsContact O-N 3.15Å
129	Y	94.5	Very high	93.4	Very high	43 Å²	43	28.8 Å²	28.8	17%	0.169	14%	0.141	C	C	.	.	H	α-helix	trans	-74.8	-36.3	175.9	-67.6	-43.8	0	0	0	112	C126 P127 E132 I133 Q161 C164 I165 N168	C126-Y129 HydrophobicContact CB-CD2 3.43Å; C126-Y129 VanDerWaalsContact CB-CD2 3.43Å; C126-Y129 HydrophobicContact CB-CE2 3.97Å; C126-Y129 HydrophobicContact CB-CG 4.4Å; C126-Y129 PolarHBondContact O-N 2.84Å; P127-Y129 PolarHBondContact O-N 3.16Å; Y129-E132 WeakPolarHBondContact O-CB 3.4Å; Y129-E132 PolarHBondContact O-N 3.44Å; Y129-I133 WeakPolarHBondContact O-CG1 3.37Å; Y129-I133 PolarHBondContact O-N 3.42Å; Y129-Q161 VanDerWaalsContact CE1-OE1 3.32Å; Y129-C164 HydrophobicContact CD1-CB 4.31Å; Y129-C164 HydrophobicContact CD2-CB 4.17Å; Y129-C164 HydrophobicContact CE1-CB 3.83Å; Y129-C164 HydrophobicContact CE2-CB 3.73Å; Y129-C164 HydrophobicContact CG-CB 4.46Å; Y129-I165 VanDerWaalsContact CB-CG1 3.44Å; Y129-I165 HydrophobicContact CD2-CB 4.48Å; Y129-I165 HydrophobicContact CD2-CG1 3.58Å; Y129-I165 HydrophobicContact CG-CG1 3.9Å; Y129-N168 WeakPolarHBondContact CE2-ND2 3.24Å; Y129-N168 PolarHBondContact OH-ND2 3.47Å
130	I	94.2	Very high	93.9	Very high	28 Å²	28	27.3 Å²	27.3	14%	0.144	13%	0.129	C	C	.	.	H	α-helix	trans	-72.4	-41.2	177.6	-63.4	170.5	0	0	0	111	I124 P127 E132 I133 S134 I165 L186	I124-I130 HydrophobicContact CD1-CD1 3.82Å; I124-I130 HydrophobicContact CG2-CD1 3.58Å; P127-I130 PolarHBondContact O-N 3.41Å; P127-I130 VanDerWaalsContact O-N 3.11Å; I130-E132 VanDerWaalsContact C-N 3.25Å; I130-E132 PolarHBondContact O-N 3.13Å; I130-I133 PolarHBondContact O-N 3.34Å; I130-S134 WeakPolarHBondContact O-CB 3.38Å; I130-S134 PolarHBondContact O-N 3.3Å; I130-S134 PolarHBondContact O-OG 3.25Å; I130-I165 HydrophobicContact CG1-CD1 3.88Å; I130-L186 HydrophobicContact CD1-CB 4.43Å; I130-L186 HydrophobicContact CD1-CG 4.11Å; I130-L186 HydrophobicContact CG1-CG 4.27Å
131	L	95.8	Very high	94.3	Very high	6 Å²	6	30 Å²	30	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-39.2	173.8	-72.8	171.2	0	0	0	110.7	L83 L86 Q87 V90 M120 P127 S134 I135	L83-L131 HydrophobicContact CD2-CD2 4.07Å; L86-L131 HydrophobicContact CB-CD1 3.97Å; L86-L131 HydrophobicContact CB-CD2 3.91Å; L86-L131 HydrophobicContact CD1-CD2 4.16Å; Q87-L131 HydrophobicContact CB-CD1 4.45Å; V90-L131 HydrophobicContact CG2-CD1 4.04Å; M120-L131 HydrophobicContact CE-CD2 4.02Å; M120-L131 HydrophobicContact CE-CG 4.26Å; M120-L131 HydrophobicContact SD-CD1 3.78Å; M120-L131 HydrophobicContact SD-CD2 4.12Å; M120-L131 HydrophobicContact SD-CG 4.15Å; P127-L131 WeakPolarHBondContact O-CB 3.46Å; P127-L131 WeakPolarHBondContact O-CG 3.47Å; P127-L131 PolarHBondContact O-N 2.85Å; L131-S134 WeakPolarHBondContact O-CB 3.4Å; L131-S134 PolarHBondContact O-N 3.4Å; L131-I135 WeakPolarHBondContact O-CG1 3.43Å; L131-I135 PolarHBondContact O-N 2.76Å
132	E	96.3	Very high	94.7	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-49.1	173.7	-175.9	70.8	157.7	0	0	112.3	H20 R24 H128 Y129 I130 S134 I135 Y136 T157 Q161	H20-E132 IonicContact CE1-OE1 3.16Å; H20-E132 IonicContact CE1-OE2 3.47Å; H20-E132 PolarHBondContact CE1-OE2 3.23Å; H20-E132 VanDerWaalsContact CE1-OE2 3.27Å; H20-E132 IonicContact NE2-OE1 2.7Å; H20-E132 IonicContact NE2-OE2 3.32Å; R24-E132 IonicContact CZ-OE1 3.66Å; R24-E132 IonicContact CZ-OE2 3.27Å; R24-E132 VanDerWaalsContact CZ-OE2 3.27Å; R24-E132 IonicContact NH1-OE1 3.91Å; R24-E132 PolarHBondContact NH1-OE1 2.98Å; R24-E132 IonicContact NH1-OE2 3.48Å; R24-E132 PolarHBondContact NH1-OE2 2.93Å; R24-E132 IonicContact NH2-OE1 3.63Å; R24-E132 PolarHBondContact NH2-OE1 2.91Å; R24-E132 IonicContact NH2-OE2 3.98Å; R24-E132 PolarHBondContact NH2-OE2 3.25Å; H128-E132 WeakPolarHBondContact O-CB 3.32Å; H128-E132 PolarHBondContact O-N 3.08Å; H128-E132 VanDerWaalsContact O-N 3.15Å; Y129-E132 WeakPolarHBondContact O-CB 3.4Å; Y129-E132 PolarHBondContact O-N 3.44Å; I130-E132 VanDerWaalsContact C-N 3.25Å; I130-E132 PolarHBondContact O-N 3.13Å; E132-S134 PolarHBondContact O-N 3Å; E132-I135 WeakPolarHBondContact O-CB 3.45Å; E132-I135 PolarHBondContact O-N 3.39Å; E132-Y136 HydrophobicContact CG-CD2 4.27Å; E132-Y136 HydrophobicContact CG-CE2 4.24Å; E132-Y136 WeakPolarHBondContact O-CD2 3.33Å; E132-Y136 PolarHBondContact O-N 3.3Å; E132-Y136 VanDerWaalsContact O-N 3.15Å; E132-Y136 VanDerWaalsContact OE1-CE2 3.26Å; E132-Y136 WeakPolarHBondContact OE1-CE2 3.29Å; E132-T157 HydrophobicContact CG-CG2 4.07Å; E132-Q161 HydrophobicContact CB-CG 4.31Å; E132-Q161 HydrophobicContact CG-CG 4.12Å
133	I	96.5	Very high	95.2	Very high	19 Å²	19	26 Å²	26	10%	0.097	13%	0.125	C	C	.	.	H	α-helix	trans	-55.9	-43	174.9	-67.4	167.4	0	0	0	110.2	Y129 I130 I135 Y136 L137 M158 Q161 L162	Y129-I133 WeakPolarHBondContact O-CG1 3.37Å; Y129-I133 PolarHBondContact O-N 3.42Å; I130-I133 PolarHBondContact O-N 3.34Å; I133-I135 VanDerWaalsContact C-N 3.35Å; I133-I135 PolarHBondContact O-N 3.04Å; I133-Y136 PolarHBondContact O-N 2.95Å; I133-L137 VanDerWaalsContact O-CB 3.28Å; I133-L137 WeakPolarHBondContact O-CB 3.27Å; I133-L137 PolarHBondContact O-N 3.47Å; I133-M158 HydrophobicContact CG1-CG 4.41Å; I133-M158 HydrophobicContact CG2-CG 3.81Å; I133-Q161 HydrophobicContact CD1-CB 3.78Å; I133-Q161 HydrophobicContact CG1-CB 3.75Å; I133-Q161 HydrophobicContact CG1-CG 4.05Å; I133-L162 HydrophobicContact CD1-CD2 4.13Å; I133-L162 HydrophobicContact CD1-CG 4.14Å
134	S	97.1	Very high	95.6	Very high	36 Å²	36	18.6 Å²	18.6	25%	0.252	10%	0.098	S	C	.	.	H	α-helix	trans	-62.8	-39.1	-179.6	-57.9	0	0	0	0	112.3	I130 L131 E132 S138	I130-S134 WeakPolarHBondContact O-CB 3.38Å; I130-S134 PolarHBondContact O-N 3.3Å; I130-S134 PolarHBondContact O-OG 3.25Å; L131-S134 WeakPolarHBondContact O-CB 3.4Å; L131-S134 PolarHBondContact O-N 3.4Å; E132-S134 PolarHBondContact O-N 3Å; S134-S138 VanDerWaalsContact O-CB 3.28Å; S134-S138 WeakPolarHBondContact O-CB 3.03Å; S134-S138 PolarHBondContact O-N 2.82Å; S134-S138 PolarHBondContact O-OG 3.43Å
135	I	97.8	Very high	95.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.4	-50.1	175.1	-74.1	168.3	0	0	0	110.4	M80 L83 L131 E132 I133 S138 F139	M80-I135 HydrophobicContact CE-CB 4.39Å; M80-I135 HydrophobicContact CE-CG2 3.74Å; L83-I135 HydrophobicContact CB-CD1 4.39Å; L83-I135 HydrophobicContact CB-CG1 3.8Å; L83-I135 HydrophobicContact CD1-CG1 4.02Å; L131-I135 WeakPolarHBondContact O-CG1 3.43Å; L131-I135 PolarHBondContact O-N 2.76Å; E132-I135 WeakPolarHBondContact O-CB 3.45Å; E132-I135 PolarHBondContact O-N 3.39Å; I133-I135 VanDerWaalsContact C-N 3.35Å; I133-I135 PolarHBondContact O-N 3.04Å; I135-S138 WeakPolarHBondContact O-CB 3.44Å; I135-S138 PolarHBondContact O-N 3.15Å; I135-F139 HydrophobicContact CG2-CD2 4.09Å; I135-F139 HydrophobicContact CG2-CE2 3.61Å; I135-F139 HydrophobicContact CG2-CZ 4.44Å; I135-F139 VanDerWaalsContact O-CD2 3.31Å; I135-F139 WeakPolarHBondContact O-CD2 3.45Å; I135-F139 PolarHBondContact O-N 2.8Å
136	Y	97.8	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69	-37.5	-179.1	-79.3	-101.7	0	0	0	112.5	H20 F50 T54 E132 I133 S138 F139 Q140 F150 I153 T157	H20-Y136 AromaticContact NE2-CE2 3.57Å; H20-Y136 AromaticContact NE2-CZ 3.86Å; H20-Y136 PolarHBondContact NE2-OH 3.3Å; F50-Y136 HydrophobicContact CE1-CE1 4.16Å; F50-Y136 AromaticContact CE1-CZ 3.9Å; F50-Y136 VanDerWaalsContact CE1-OH 3.26Å; F50-Y136 WeakPolarHBondContact CE1-OH 3.33Å; F50-Y136 HydrophobicContact CE2-CE1 4.5Å; F50-Y136 HydrophobicContact CZ-CD1 4.46Å; F50-Y136 AromaticContact CZ-CE1 3.53Å; F50-Y136 HydrophobicContact CZ-CE1 3.53Å; F50-Y136 AromaticContact CZ-CZ 3.64Å; T54-Y136 HydrophobicContact CG2-CE1 4.4Å; E132-Y136 HydrophobicContact CG-CD2 4.27Å; E132-Y136 HydrophobicContact CG-CE2 4.24Å; E132-Y136 WeakPolarHBondContact O-CD2 3.33Å; E132-Y136 PolarHBondContact O-N 3.3Å; E132-Y136 VanDerWaalsContact O-N 3.15Å; E132-Y136 VanDerWaalsContact OE1-CE2 3.26Å; E132-Y136 WeakPolarHBondContact OE1-CE2 3.29Å; I133-Y136 PolarHBondContact O-N 2.95Å; Y136-S138 VanDerWaalsContact C-N 3.3Å; Y136-S138 PolarHBondContact O-N 3.4Å; Y136-F139 WeakPolarHBondContact O-CB 3.48Å; Y136-F139 PolarHBondContact O-N 3.23Å; Y136-Q140 PolarHBondContact O-N 3.49Å; Y136-F150 AromaticContact CD1-CZ 3.86Å; Y136-F150 HydrophobicContact CD1-CZ 3.86Å; Y136-F150 HydrophobicContact CE1-CZ 4.43Å; Y136-I153 HydrophobicContact CD1-CG2 3.84Å; Y136-I153 HydrophobicContact CE1-CG2 3.66Å; Y136-T157 HydrophobicContact CD2-CG2 3.9Å; Y136-T157 HydrophobicContact CE2-CG2 4.39Å; Y136-T157 HydrophobicContact CG-CG2 3.99Å
137	L	97.8	Very high	96.4	Very high	72 Å²	72	37.2 Å²	37.2	38%	0.377	18%	0.184	S	C	.	.	H	α-helix	trans	-64.4	-39.2	175.2	-178.1	62	0	0	0	110.9	I133 Q140 L141 L154	I133-L137 VanDerWaalsContact O-CB 3.28Å; I133-L137 WeakPolarHBondContact O-CB 3.27Å; I133-L137 PolarHBondContact O-N 3.47Å; L137-Q140 PolarHBondContact O-N 3.2Å; L137-L141 HydrophobicContact CD1-CD1 4.27Å; L137-L141 HydrophobicContact CD1-CG 4.22Å; L137-L141 HydrophobicContact CG-CD1 4.06Å; L137-L141 HydrophobicContact CG-CG 4.41Å; L137-L141 WeakPolarHBondContact O-CG 3.5Å; L137-L141 PolarHBondContact O-N 3.5Å; L137-L154 HydrophobicContact CB-CD1 4.18Å; L137-L154 HydrophobicContact CD1-CD2 3.85Å
138	S	97.9	Very high	96.5	Very high	17 Å²	17	37.6 Å²	37.6	12%	0.119	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-42	175.7	-58.8	0	0	0	0	111.6	H79 M80 S134 I135 Y136 F142	H79-S138 PolarHBondContact NE2-OG 3.2Å; M80-S138 VanDerWaalsContact SD-CB 3.58Å; S134-S138 VanDerWaalsContact O-CB 3.28Å; S134-S138 WeakPolarHBondContact O-CB 3.03Å; S134-S138 PolarHBondContact O-N 2.82Å; S134-S138 PolarHBondContact O-OG 3.43Å; I135-S138 WeakPolarHBondContact O-CB 3.44Å; I135-S138 PolarHBondContact O-N 3.15Å; Y136-S138 VanDerWaalsContact C-N 3.3Å; Y136-S138 PolarHBondContact O-N 3.4Å; S138-F142 WeakPolarHBondContact O-CB 3.27Å; S138-F142 PolarHBondContact O-N 2.93Å
139	F	97.9	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-49.9	172	-73.9	-50.6	0	0	0	112	V13 M16 Y17 F76 M80 I135 Y136 F142 I143 F150	V13-F139 HydrophobicContact CG1-CD1 3.79Å; V13-F139 HydrophobicContact CG1-CE1 4.27Å; V13-F139 HydrophobicContact CG1-CG 4.47Å; M16-F139 HydrophobicContact CB-CE1 3.68Å; M16-F139 HydrophobicContact CB-CZ 4.15Å; Y17-F139 HydrophobicContact CD2-CE2 4.16Å; Y17-F139 HydrophobicContact CD2-CZ 4.47Å; F76-F139 HydrophobicContact CE2-CD1 4.34Å; F76-F139 AromaticContact CZ-CD1 3.66Å; F76-F139 HydrophobicContact CZ-CD1 3.66Å; F76-F139 AromaticContact CZ-CE1 3.85Å; F76-F139 HydrophobicContact CZ-CE1 3.85Å; M80-F139 HydrophobicContact CE-CD1 4.08Å; M80-F139 HydrophobicContact CE-CD2 4.19Å; M80-F139 HydrophobicContact CE-CE1 3.52Å; M80-F139 HydrophobicContact CE-CE2 3.66Å; M80-F139 HydrophobicContact CE-CG 4.37Å; M80-F139 HydrophobicContact CE-CZ 3.28Å; I135-F139 HydrophobicContact CG2-CD2 4.09Å; I135-F139 HydrophobicContact CG2-CE2 3.61Å; I135-F139 HydrophobicContact CG2-CZ 4.44Å; I135-F139 VanDerWaalsContact O-CD2 3.31Å; I135-F139 WeakPolarHBondContact O-CD2 3.45Å; I135-F139 PolarHBondContact O-N 2.8Å; Y136-F139 WeakPolarHBondContact O-CB 3.48Å; Y136-F139 PolarHBondContact O-N 3.23Å; F139-F142 PolarHBondContact O-N 2.92Å; F139-I143 VanDerWaalsContact O-CG1 3.29Å; F139-I143 WeakPolarHBondContact O-CG1 3.33Å; F139-I143 PolarHBondContact O-N 3.31Å; F139-F150 HydrophobicContact CB-CE1 3.48Å; F139-F150 VanDerWaalsContact CB-CE1 3.48Å; F139-F150 HydrophobicContact CB-CZ 3.5Å; F139-F150 HydrophobicContact CD2-CZ 4.1Å; F139-F150 HydrophobicContact CG-CZ 4.13Å
140	Q	97.8	Very high	96.7	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-55.3	179.7	173.2	65.9	47.3	0	0	111.1	Y136 L137 F142 I143 T144 K146 F150 S151 L154	Y136-Q140 PolarHBondContact O-N 3.49Å; L137-Q140 PolarHBondContact O-N 3.2Å; Q140-F142 PolarHBondContact O-N 3.49Å; Q140-I143 PolarHBondContact O-N 3.46Å; Q140-T144 PolarHBondContact NE2-O 3.19Å; Q140-T144 CarbonylContact O-C 3.59Å; Q140-T144 PolarHBondContact O-N 3.03Å; Q140-K146 PolarHBondContact NE2-O 3.11Å; Q140-F150 HydrophobicContact CB-CD1 4.12Å; Q140-F150 HydrophobicContact CB-CE1 4.19Å; Q140-S151 PolarHBondContact NE2-OG 3.11Å; Q140-S151 VanDerWaalsContact NE2-OG 3.15Å; Q140-S151 VanDerWaalsContact OE1-CA 3.23Å; Q140-S151 PolarHBondContact OE1-OG 2.96Å; Q140-L154 HydrophobicContact CB-CD2 3.67Å; Q140-L154 HydrophobicContact CG-CD2 3.74Å
141	L	97.5	Very high	96.9	Very high	96 Å²	96	35.7 Å²	35.7	50%	0.503	18%	0.184	S	C	.	.	H	α-helix	trans	-61.7	-34.8	-177.7	-68.5	176.1	0	0	0	112.3	R68 L137	R68-L141 PolarHBondContact NH2-O 3.4Å; L137-L141 HydrophobicContact CD1-CD1 4.27Å; L137-L141 HydrophobicContact CD1-CG 4.22Å; L137-L141 HydrophobicContact CG-CD1 4.06Å; L137-L141 HydrophobicContact CG-CG 4.41Å; L137-L141 WeakPolarHBondContact O-CG 3.5Å; L137-L141 PolarHBondContact O-N 3.5Å
142	F	97.5	Very high	96.9	Very high	12 Å²	12	40.7 Å²	40.7	5%	0.053	21%	0.207	C	C	.	.	H	α-helix	trans	-67.8	-44.2	176.2	-173.8	-100.6	0	0	0	112.1	T9 V13 R68 V72 I73 F76 S138 F139 Q140	T9-F142 HydrophobicContact CG2-CD1 3.91Å; T9-F142 HydrophobicContact CG2-CE1 3.65Å; T9-F142 HydrophobicContact CG2-CZ 4.44Å; V13-F142 HydrophobicContact CG2-CD1 3.47Å; V13-F142 VanDerWaalsContact CG2-CD1 3.47Å; V13-F142 HydrophobicContact CG2-CE1 3.91Å; R68-F142 HydrophobicContact CB-CE2 4.36Å; R68-F142 HydrophobicContact CB-CZ 4.17Å; R68-F142 HydrophobicContact CG-CD2 4.49Å; R68-F142 HydrophobicContact CG-CE1 4.38Å; R68-F142 HydrophobicContact CG-CE2 3.99Å; R68-F142 HydrophobicContact CG-CZ 3.93Å; R68-F142 VanDerWaalsContact CZ-O 3.31Å; R68-F142 PolarHBondContact NE-O 3.05Å; R68-F142 PolarHBondContact NH2-O 2.83Å; V72-F142 HydrophobicContact CG1-CD2 4.45Å; V72-F142 HydrophobicContact CG1-CE2 3.94Å; I73-F142 HydrophobicContact CB-CZ 4.4Å; I73-F142 HydrophobicContact CG1-CZ 3.82Å; F76-F142 HydrophobicContact CB-CD2 3.42Å; F76-F142 VanDerWaalsContact CB-CD2 3.42Å; F76-F142 HydrophobicContact CB-CE2 3.26Å; F76-F142 HydrophobicContact CB-CG 4.27Å; F76-F142 HydrophobicContact CB-CZ 4.03Å; F76-F142 AromaticContact CD1-CD1 3.96Å; F76-F142 HydrophobicContact CD1-CD1 3.96Å; F76-F142 AromaticContact CD1-CD2 3.91Å; F76-F142 HydrophobicContact CD1-CD2 3.91Å; F76-F142 AromaticContact CD1-CE1 3.84Å; F76-F142 HydrophobicContact CD1-CE1 3.84Å; F76-F142 AromaticContact CD1-CE2 3.78Å; F76-F142 HydrophobicContact CD1-CE2 3.78Å; F76-F142 AromaticContact CD1-CG 3.97Å; F76-F142 HydrophobicContact CD1-CG 3.97Å; F76-F142 AromaticContact CD1-CZ 3.73Å; F76-F142 HydrophobicContact CD1-CZ 3.73Å; F76-F142 HydrophobicContact CD2-CB 3.65Å; F76-F142 HydrophobicContact CD2-CD1 4.25Å; F76-F142 AromaticContact CD2-CD2 3.47Å; F76-F142 HydrophobicContact CD2-CD2 3.47Å; F76-F142 VanDerWaalsContact CD2-CD2 3.47Å; F76-F142 HydrophobicContact CD2-CE2 4.12Å; F76-F142 AromaticContact CD2-CG 3.52Å; F76-F142 HydrophobicContact CD2-CG 3.52Å; F76-F142 AromaticContact CE1-CD1 3.93Å; F76-F142 HydrophobicContact CE1-CD1 3.93Å; F76-F142 HydrophobicContact CE1-CE1 4.05Å; F76-F142 HydrophobicContact CE1-CG 4.17Å; F76-F142 HydrophobicContact CE1-CZ 4.41Å; F76-F142 HydrophobicContact CE2-CB 3.59Å; F76-F142 HydrophobicContact CE2-CD1 4.23Å; F76-F142 HydrophobicContact CE2-CD2 4.19Å; F76-F142 AromaticContact CE2-CG 3.75Å; F76-F142 HydrophobicContact CE2-CG 3.75Å; F76-F142 HydrophobicContact CG-CB 4.29Å; F76-F142 HydrophobicContact CG-CD1 4.12Å; F76-F142 AromaticContact CG-CD2 3.3Å; F76-F142 HydrophobicContact CG-CD2 3.3Å; F76-F142 HydrophobicContact CG-CE1 4.25Å; F76-F142 AromaticContact CG-CE2 3.45Å; F76-F142 HydrophobicContact CG-CE2 3.45Å; F76-F142 VanDerWaalsContact CG-CE2 3.45Å; F76-F142 AromaticContact CG-CG 3.64Å; F76-F142 HydrophobicContact CG-CG 3.64Å; F76-F142 AromaticContact CG-CZ 3.92Å; F76-F142 HydrophobicContact CG-CZ 3.92Å; F76-F142 HydrophobicContact CZ-CB 4.19Å; F76-F142 HydrophobicContact CZ-CD1 4.07Å; F76-F142 HydrophobicContact CZ-CG 4.07Å; S138-F142 WeakPolarHBondContact O-CB 3.27Å; S138-F142 PolarHBondContact O-N 2.93Å; F139-F142 PolarHBondContact O-N 2.92Å; Q140-F142 PolarHBondContact O-N 3.49Å
143	I	96.8	Very high	97	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-59.9	173.7	-60.7	163.8	0	0	0	109.3	I10 V13 A65 A66 F139 Q140 I148 F150	I10-I143 HydrophobicContact CD1-CG2 4.36Å; V13-I143 HydrophobicContact CG1-CD1 4.22Å; V13-I143 HydrophobicContact CG1-CG1 4.37Å; V13-I143 HydrophobicContact CG2-CG1 3.87Å; A65-I143 HydrophobicContact CB-CG2 3.94Å; A66-I143 PolarHBondContact N-O 2.78Å; F139-I143 VanDerWaalsContact O-CG1 3.29Å; F139-I143 WeakPolarHBondContact O-CG1 3.33Å; F139-I143 PolarHBondContact O-N 3.31Å; Q140-I143 PolarHBondContact O-N 3.46Å; I143-I148 HydrophobicContact CB-CD1 3.99Å; I143-I148 HydrophobicContact CD1-CD1 4.14Å; I143-I148 HydrophobicContact CG2-CD1 3.49Å; I143-I148 VanDerWaalsContact CG2-CD1 3.49Å; I143-F150 HydrophobicContact CD1-CB 4.14Å; I143-F150 HydrophobicContact CD1-CD1 4.02Å; I143-F150 HydrophobicContact CD1-CG 3.99Å
144	T	96.2	Very high	97	Very high	7 Å²	7	41 Å²	41	4%	0.043	21%	0.209	C	C	.	.			trans	-173.8	147.3	179.8	-173.5	0	0	0	0	111.3	N64 Q140 K146 I148	N64-T144 WeakPolarHBondContact O-CB 3.22Å; Q140-T144 PolarHBondContact NE2-O 3.19Å; Q140-T144 CarbonylContact O-C 3.59Å; Q140-T144 PolarHBondContact O-N 3.03Å; T144-K146 HydrophobicContact CG2-CB 4.07Å; T144-K146 PolarHBondContact O-N 3.2Å; T144-K146 PolarHBondContact OG1-N 3.19Å; T144-I148 HydrophobicContact CG2-CB 4.48Å; T144-I148 HydrophobicContact CG2-CD1 3.76Å; T144-I148 HydrophobicContact CG2-CG1 4.14Å; T144-I148 HydrophobicContact CG2-CG2 3.55Å
145	P	95.1	Very high	97.1	Very high	106 Å²	106	45.1 Å²	45.1	69%	0.688	22%	0.222	S	C	*	.	S	Bend	trans	-70.8	-11	170	30.2	-36.1	0	0	0	113.4
146	K	95.5	Very high	97	Very high	138 Å²	138	48.6 Å²	48.6	60%	0.6	24%	0.238	S	C	*	.	S	Bend	trans	-74.7	155.4	179.3	-62.5	-178.6	-179.9	179.8	0	111.9	Q140 T144 I148	Q140-K146 PolarHBondContact NE2-O 3.11Å; T144-K146 HydrophobicContact CG2-CB 4.07Å; T144-K146 PolarHBondContact O-N 3.2Å; T144-K146 PolarHBondContact OG1-N 3.19Å; K146-I148 PolarHBondContact O-N 3.25Å
147	W	96.3	Very high	97	Very high	166 Å²	166	48.7 Å²	48.7	63%	0.629	24%	0.238	S	C	*	.			trans	-67.8	125.7	170.3	-163.7	-89.6	0	0	0	110.9	H152 F155	W147-H152 AromaticContact NE1-CE1 3.3Å; W147-H152 PolarHBondContact NE1-CE1 2.86Å; W147-H152 VanDerWaalsContact NE1-CE1 3.3Å; W147-H152 AromaticContact NE1-ND1 3.93Å; W147-H152 AromaticContact NE1-NE2 3.5Å; W147-H152 PolarHBondContact NE1-NE2 2.94Å; W147-F155 HydrophobicContact CH2-CB 4.24Å
148	I	96.3	Very high	96.9	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.041	24%	0.236	C	C	.	.			trans	-139.1	177.3	-176.4	51.8	167.9	0	0	0	110.3	S61 N64 I143 T144 K146 F150 S151 H152	S61-I148 WeakPolarHBondContact OG-CD1 3.47Å; N64-I148 HydrophobicContact CB-CG2 3.55Å; I143-I148 HydrophobicContact CB-CD1 3.99Å; I143-I148 HydrophobicContact CD1-CD1 4.14Å; I143-I148 HydrophobicContact CG2-CD1 3.49Å; I143-I148 VanDerWaalsContact CG2-CD1 3.49Å; T144-I148 HydrophobicContact CG2-CB 4.48Å; T144-I148 HydrophobicContact CG2-CD1 3.76Å; T144-I148 HydrophobicContact CG2-CG1 4.14Å; T144-I148 HydrophobicContact CG2-CG2 3.55Å; K146-I148 PolarHBondContact O-N 3.25Å; I148-F150 VanDerWaalsContact C-N 3.25Å; I148-F150 HydrophobicContact CD1-CB 3.87Å; I148-F150 HydrophobicContact CG1-CB 4.2Å; I148-F150 PolarHBondContact O-N 2.89Å; I148-S151 WeakPolarHBondContact CG1-OG 3.46Å; I148-S151 PolarHBondContact N-OG 3.29Å; I148-S151 WeakPolarHBondContact O-CB 3.36Å; I148-S151 PolarHBondContact O-N 3.23Å; I148-S151 PolarHBondContact O-OG 2.67Å; I148-H152 PolarHBondContact O-ND1 2.88Å
149	S	96.3	Very high	96.8	Very high	48 Å²	48	50.8 Å²	50.8	34%	0.336	25%	0.251	S	S	.	.	H	α-helix	trans	-53.7	-42.9	176.3	-57.8	0	0	0	0	112.1	S151 H152	S149-S151 PolarHBondContact O-N 3.44Å; S149-H152 PolarHBondContact O-N 3.38Å; S149-H152 PolarHBondContact O-ND1 3.45Å
150	F	97	Very high	96.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-22.9	176.1	-170.7	-98.8	0	0	0	113.9	T54 S57 I58 S61 Y136 F139 Q140 I143 I148 H152 I153 L154	T54-F150 HydrophobicContact CG2-CE2 3.88Å; S57-F150 WeakPolarHBondContact OG-CD2 3.36Å; I58-F150 HydrophobicContact CD1-CD2 4.32Å; I58-F150 HydrophobicContact CD1-CE2 4.04Å; I58-F150 HydrophobicContact CG1-CD2 3.51Å; I58-F150 HydrophobicContact CG1-CE2 3.74Å; I58-F150 HydrophobicContact CG1-CG 4.47Å; S61-F150 PolarHBondContact OG-N 2.93Å; Y136-F150 AromaticContact CD1-CZ 3.86Å; Y136-F150 HydrophobicContact CD1-CZ 3.86Å; Y136-F150 HydrophobicContact CE1-CZ 4.43Å; F139-F150 HydrophobicContact CB-CE1 3.48Å; F139-F150 VanDerWaalsContact CB-CE1 3.48Å; F139-F150 HydrophobicContact CB-CZ 3.5Å; F139-F150 HydrophobicContact CD2-CZ 4.1Å; F139-F150 HydrophobicContact CG-CZ 4.13Å; Q140-F150 HydrophobicContact CB-CD1 4.12Å; Q140-F150 HydrophobicContact CB-CE1 4.19Å; I143-F150 HydrophobicContact CD1-CB 4.14Å; I143-F150 HydrophobicContact CD1-CD1 4.02Å; I143-F150 HydrophobicContact CD1-CG 3.99Å; I148-F150 VanDerWaalsContact C-N 3.25Å; I148-F150 HydrophobicContact CD1-CB 3.87Å; I148-F150 HydrophobicContact CG1-CB 4.2Å; I148-F150 PolarHBondContact O-N 2.89Å; F150-H152 PolarHBondContact O-N 3.39Å; F150-I153 HydrophobicContact CD2-CB 4.34Å; F150-I153 HydrophobicContact CE2-CB 4.46Å; F150-I153 HydrophobicContact CE2-CG2 4.28Å; F150-I153 WeakPolarHBondContact O-CA 3.22Å; F150-I153 WeakPolarHBondContact O-CB 3.47Å; F150-I153 PolarHBondContact O-N 3.15Å; F150-L154 PolarHBondContact O-N 3.18Å
151	S	97.6	Very high	96.5	Very high	5 Å²	5	53.8 Å²	53.8	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-29.2	178.1	-52.1	0	0	0	0	112.4	Q140 I148 S149 I153 L154 F155	Q140-S151 PolarHBondContact NE2-OG 3.11Å; Q140-S151 VanDerWaalsContact NE2-OG 3.15Å; Q140-S151 VanDerWaalsContact OE1-CA 3.23Å; Q140-S151 PolarHBondContact OE1-OG 2.96Å; I148-S151 WeakPolarHBondContact CG1-OG 3.46Å; I148-S151 PolarHBondContact N-OG 3.29Å; I148-S151 WeakPolarHBondContact O-CB 3.36Å; I148-S151 PolarHBondContact O-N 3.23Å; I148-S151 PolarHBondContact O-OG 2.67Å; S149-S151 PolarHBondContact O-N 3.44Å; S151-I153 VanDerWaalsContact C-N 3.34Å; S151-L154 PolarHBondContact O-N 3.36Å; S151-F155 WeakPolarHBondContact O-CB 3.42Å; S151-F155 PolarHBondContact O-N 3.2Å
152	H	96.8	Very high	96.4	Very high	111 Å²	111	51.6 Å²	51.6	51%	0.514	26%	0.256	S	S	.	.	H	α-helix	trans	-67.1	-36.4	173.1	-59.4	87.8	0	0	0	111.9	W147 I148 S149 F150 F155 F156	W147-H152 AromaticContact NE1-CE1 3.3Å; W147-H152 PolarHBondContact NE1-CE1 2.86Å; W147-H152 VanDerWaalsContact NE1-CE1 3.3Å; W147-H152 AromaticContact NE1-ND1 3.93Å; W147-H152 AromaticContact NE1-NE2 3.5Å; W147-H152 PolarHBondContact NE1-NE2 2.94Å; I148-H152 PolarHBondContact O-ND1 2.88Å; S149-H152 PolarHBondContact O-N 3.38Å; S149-H152 PolarHBondContact O-ND1 3.45Å; F150-H152 PolarHBondContact O-N 3.39Å; H152-F155 PolarHBondContact O-N 3.31Å; H152-F156 WeakPolarHBondContact O-CB 3.34Å; H152-F156 PolarHBondContact O-N 3.17Å
153	I	97.5	Very high	96.3	Very high	14 Å²	14	54.2 Å²	54.2	7%	0.072	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-48.1	174.3	-59	-56	0	0	0	110	F50 I53 T54 S57 Y136 F150 S151 F155 F156 T157	F50-I153 HydrophobicContact CD2-CG2 4.47Å; F50-I153 HydrophobicContact CE2-CG2 3.56Å; F50-I153 HydrophobicContact CZ-CG2 3.81Å; I53-I153 HydrophobicContact CG2-CD1 4Å; T54-I153 HydrophobicContact CG2-CG2 4.02Å; S57-I153 WeakPolarHBondContact OG-CG1 3.47Å; Y136-I153 HydrophobicContact CD1-CG2 3.84Å; Y136-I153 HydrophobicContact CE1-CG2 3.66Å; F150-I153 HydrophobicContact CD2-CB 4.34Å; F150-I153 HydrophobicContact CE2-CB 4.46Å; F150-I153 HydrophobicContact CE2-CG2 4.28Å; F150-I153 WeakPolarHBondContact O-CA 3.22Å; F150-I153 WeakPolarHBondContact O-CB 3.47Å; F150-I153 PolarHBondContact O-N 3.15Å; S151-I153 VanDerWaalsContact C-N 3.34Å; I153-F155 VanDerWaalsContact C-N 3.33Å; I153-F155 PolarHBondContact O-N 3.25Å; I153-F156 PolarHBondContact O-N 3.39Å; I153-T157 WeakPolarHBondContact O-CB 3.45Å; I153-T157 PolarHBondContact O-N 2.78Å; I153-T157 PolarHBondContact O-OG1 3.36Å
154	L	97.6	Very high	96.1	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.084	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-46.9	175.5	172.1	61.3	0	0	0	111.5	L137 Q140 F150 S151 T157 M158	L137-L154 HydrophobicContact CB-CD1 4.18Å; L137-L154 HydrophobicContact CD1-CD2 3.85Å; Q140-L154 HydrophobicContact CB-CD2 3.67Å; Q140-L154 HydrophobicContact CG-CD2 3.74Å; F150-L154 PolarHBondContact O-N 3.18Å; S151-L154 PolarHBondContact O-N 3.36Å; L154-T157 PolarHBondContact O-N 3.16Å; L154-M158 HydrophobicContact CD1-CG 3.98Å; L154-M158 HydrophobicContact CD1-SD 4.06Å; L154-M158 HydrophobicContact CG-CG 4.46Å; L154-M158 HydrophobicContact CG-SD 4.14Å; L154-M158 WeakPolarHBondContact O-CB 2.97Å; L154-M158 WeakPolarHBondContact O-CG 3.47Å; L154-M158 PolarHBondContact O-N 2.75Å
155	F	97.5	Very high	96	Very high	121 Å²	121	55.2 Å²	55.2	53%	0.531	28%	0.282	S	S	.	.	H	α-helix	trans	-60.1	-47.9	179.4	-179.6	-101.7	0	0	0	111.6	W147 S151 H152 I153 T157 M158 C159	W147-F155 HydrophobicContact CH2-CB 4.24Å; S151-F155 WeakPolarHBondContact O-CB 3.42Å; S151-F155 PolarHBondContact O-N 3.2Å; H152-F155 PolarHBondContact O-N 3.31Å; I153-F155 VanDerWaalsContact C-N 3.33Å; I153-F155 PolarHBondContact O-N 3.25Å; F155-T157 PolarHBondContact O-N 3.17Å; F155-M158 PolarHBondContact O-N 3.2Å; F155-C159 PolarHBondContact O-N 3.38Å; F155-C159 PolarHBondContact O-SG 3.04Å; F155-C159 VanDerWaalsContact O-SG 3.4Å
156	F	96.9	Very high	95.9	Very high	73 Å²	73	56.5 Å²	56.5	32%	0.32	27%	0.273	S	S	.	.	H	α-helix	trans	-58.8	-47.6	175.2	173.3	-92	0	0	0	111.8	M46 F50 H152 I153 M158 C159 N160	M46-F156 HydrophobicContact CE-CZ 4.02Å; M46-F156 HydrophobicContact CG-CE2 4.17Å; M46-F156 HydrophobicContact CG-CZ 3.66Å; M46-F156 HydrophobicContact SD-CE2 3.82Å; M46-F156 HydrophobicContact SD-CZ 3.55Å; M46-F156 VanDerWaalsContact SD-CZ 3.55Å; F50-F156 AromaticContact CD2-CD1 3.42Å; F50-F156 HydrophobicContact CD2-CD1 3.42Å; F50-F156 VanDerWaalsContact CD2-CD1 3.42Å; F50-F156 AromaticContact CD2-CE1 3.49Å; F50-F156 HydrophobicContact CD2-CE1 3.49Å; F50-F156 VanDerWaalsContact CD2-CE1 3.49Å; F50-F156 AromaticContact CE2-CD1 3.53Å; F50-F156 HydrophobicContact CE2-CD1 3.53Å; F50-F156 AromaticContact CE2-CE1 3.94Å; F50-F156 HydrophobicContact CE2-CE1 3.94Å; F50-F156 HydrophobicContact CG-CE1 4.22Å; H152-F156 WeakPolarHBondContact O-CB 3.34Å; H152-F156 PolarHBondContact O-N 3.17Å; I153-F156 PolarHBondContact O-N 3.39Å; F156-M158 PolarHBondContact O-N 3.3Å; F156-C159 PolarHBondContact O-N 3.49Å; F156-N160 VanDerWaalsContact O-CB 3.31Å; F156-N160 WeakPolarHBondContact O-CB 3.36Å; F156-N160 PolarHBondContact O-N 3.49Å
157	T	96.9	Very high	95.8	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-57.8	-48.4	176.7	-62.6	0	0	0	0	110.6	F50 E132 Y136 I153 L154 F155 N160 Q161	F50-T157 WeakPolarHBondContact CE2-OG1 3.29Å; F50-T157 VanDerWaalsContact CZ-OG1 3.28Å; F50-T157 WeakPolarHBondContact CZ-OG1 3.35Å; E132-T157 HydrophobicContact CG-CG2 4.07Å; Y136-T157 HydrophobicContact CD2-CG2 3.9Å; Y136-T157 HydrophobicContact CE2-CG2 4.39Å; Y136-T157 HydrophobicContact CG-CG2 3.99Å; I153-T157 WeakPolarHBondContact O-CB 3.45Å; I153-T157 PolarHBondContact O-N 2.78Å; I153-T157 PolarHBondContact O-OG1 3.36Å; L154-T157 PolarHBondContact O-N 3.16Å; F155-T157 PolarHBondContact O-N 3.17Å; T157-N160 PolarHBondContact O-N 2.72Å; T157-Q161 HydrophobicContact CG2-CG 3.96Å; T157-Q161 WeakPolarHBondContact O-CB 3.49Å; T157-Q161 WeakPolarHBondContact O-CG 3.42Å; T157-Q161 PolarHBondContact O-N 2.76Å
158	M	96.3	Very high	95.5	Very high	68 Å²	68	49 Å²	49	34%	0.335	25%	0.252	S	S	.	.	H	α-helix	trans	-57.5	-52.9	177.5	-77.8	-178	59.4	0	0	111.7	I133 L154 F155 F156 N160 Q161 L162	I133-M158 HydrophobicContact CG1-CG 4.41Å; I133-M158 HydrophobicContact CG2-CG 3.81Å; L154-M158 HydrophobicContact CD1-CG 3.98Å; L154-M158 HydrophobicContact CD1-SD 4.06Å; L154-M158 HydrophobicContact CG-CG 4.46Å; L154-M158 HydrophobicContact CG-SD 4.14Å; L154-M158 WeakPolarHBondContact O-CB 2.97Å; L154-M158 WeakPolarHBondContact O-CG 3.47Å; L154-M158 PolarHBondContact O-N 2.75Å; F155-M158 PolarHBondContact O-N 3.2Å; F156-M158 PolarHBondContact O-N 3.3Å; M158-N160 PolarHBondContact O-N 3.4Å; M158-Q161 PolarHBondContact O-N 2.81Å; M158-L162 VanDerWaalsContact O-CB 3.23Å; M158-L162 WeakPolarHBondContact O-CB 3.05Å; M158-L162 WeakPolarHBondContact O-CD1 3.33Å; M158-L162 WeakPolarHBondContact O-CG 3.44Å; M158-L162 PolarHBondContact O-N 2.78Å
159	C	96.2	Very high	95.3	Very high	65 Å²	65	49.3 Å²	49.3	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-59.1	-45.9	179.6	-69.1	0	0	0	0	112.2	F155 F156 C163	F155-C159 PolarHBondContact O-N 3.38Å; F155-C159 PolarHBondContact O-SG 3.04Å; F155-C159 VanDerWaalsContact O-SG 3.4Å; F156-C159 PolarHBondContact O-N 3.49Å; C159-C163 VanDerWaalsContact O-CB 3.29Å; C159-C163 WeakPolarHBondContact O-CB 3.47Å; C159-C163 PolarHBondContact O-N 2.72Å
160	N	94.6	Very high	95.1	Very high	48 Å²	48	48.8 Å²	48.8	26%	0.257	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-50.2	179.5	-177.5	74.5	0	0	0	111.4	F156 T157 M158 C163 C164	F156-N160 VanDerWaalsContact O-CB 3.31Å; F156-N160 WeakPolarHBondContact O-CB 3.36Å; F156-N160 PolarHBondContact O-N 3.49Å; T157-N160 PolarHBondContact O-N 2.72Å; M158-N160 PolarHBondContact O-N 3.4Å; N160-C163 PolarHBondContact O-N 2.85Å; N160-C164 PolarHBondContact O-N 3.01Å; N160-C164 PolarHBondContact O-SG 3.38Å
161	Q	95.4	Very high	94.8	Very high	25 Å²	25	53 Å²	53	12%	0.117	26%	0.262	C	S	.	.	H	α-helix	trans	-68	-39	-178	-62.8	-39.1	-23.4	0	0	112.5	Y129 E132 I133 T157 M158 C164 I165	Y129-Q161 VanDerWaalsContact CE1-OE1 3.32Å; E132-Q161 HydrophobicContact CB-CG 4.31Å; E132-Q161 HydrophobicContact CG-CG 4.12Å; I133-Q161 HydrophobicContact CD1-CB 3.78Å; I133-Q161 HydrophobicContact CG1-CB 3.75Å; I133-Q161 HydrophobicContact CG1-CG 4.05Å; T157-Q161 HydrophobicContact CG2-CG 3.96Å; T157-Q161 WeakPolarHBondContact O-CB 3.49Å; T157-Q161 WeakPolarHBondContact O-CG 3.42Å; T157-Q161 PolarHBondContact O-N 2.76Å; M158-Q161 PolarHBondContact O-N 2.81Å; Q161-C164 PolarHBondContact O-N 3.18Å; Q161-I165 VanDerWaalsContact O-CG1 3.25Å; Q161-I165 WeakPolarHBondContact O-CG1 3.34Å; Q161-I165 PolarHBondContact O-N 3.07Å
162	L	95.1	Very high	94.5	Very high	50 Å²	50	54.1 Å²	54.1	26%	0.262	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-40.6	175.5	-69	171.9	0	0	0	111.8	I133 M158 I165 W166 L186 W191	I133-L162 HydrophobicContact CD1-CD2 4.13Å; I133-L162 HydrophobicContact CD1-CG 4.14Å; M158-L162 VanDerWaalsContact O-CB 3.23Å; M158-L162 WeakPolarHBondContact O-CB 3.05Å; M158-L162 WeakPolarHBondContact O-CD1 3.33Å; M158-L162 WeakPolarHBondContact O-CG 3.44Å; M158-L162 PolarHBondContact O-N 2.78Å; L162-I165 HydrophobicContact CD2-CD1 4.42Å; L162-I165 PolarHBondContact O-N 3.46Å; L162-W166 PolarHBondContact O-N 3.35Å; L162-L186 HydrophobicContact CD2-CD1 3.23Å; L162-W191 HydrophobicContact CD2-CZ3 4.07Å
163	C	94.4	Very high	94.3	Very high	68 Å²	68	53.9 Å²	53.9	46%	0.459	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-45.9	173.1	-174.7	0	0	0	0	111.2	C159 N160 I165 W166 L167	C159-C163 VanDerWaalsContact O-CB 3.29Å; C159-C163 WeakPolarHBondContact O-CB 3.47Å; C159-C163 PolarHBondContact O-N 2.72Å; N160-C163 PolarHBondContact O-N 2.85Å; C163-I165 PolarHBondContact O-N 3.11Å; C163-W166 PolarHBondContact O-N 3.19Å; C163-L167 WeakPolarHBondContact O-CG 3.44Å; C163-L167 PolarHBondContact O-N 3.19Å
164	C	93.5	Very high	94	Very high	28 Å²	28	61.7 Å²	61.7	19%	0.189	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-41.7	176.1	-71.1	0	0	0	0	112.6	Y129 N160 Q161 W166 L167 N168	Y129-C164 HydrophobicContact CD1-CB 4.31Å; Y129-C164 HydrophobicContact CD2-CB 4.17Å; Y129-C164 HydrophobicContact CE1-CB 3.83Å; Y129-C164 HydrophobicContact CE2-CB 3.73Å; Y129-C164 HydrophobicContact CG-CB 4.46Å; N160-C164 PolarHBondContact O-N 3.01Å; N160-C164 PolarHBondContact O-SG 3.38Å; Q161-C164 PolarHBondContact O-N 3.18Å; C164-W166 VanDerWaalsContact C-N 3.35Å; C164-W166 PolarHBondContact O-N 3.19Å; C164-L167 PolarHBondContact O-N 3.24Å; C164-N168 WeakPolarHBondContact O-CB 3.48Å; C164-N168 PolarHBondContact O-N 2.94Å; C164-N168 PolarHBondContact O-ND2 3.38Å
165	I	93.6	Very high	93.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-50.1	174.9	-71.9	164.5	0	0	0	109.8	C126 Y129 I130 Q161 L162 C163 L167 N168 H169 M185 L186	C126-I165 HydrophobicContact CB-CG1 4.35Å; Y129-I165 VanDerWaalsContact CB-CG1 3.44Å; Y129-I165 HydrophobicContact CD2-CB 4.48Å; Y129-I165 HydrophobicContact CD2-CG1 3.58Å; Y129-I165 HydrophobicContact CG-CG1 3.9Å; I130-I165 HydrophobicContact CG1-CD1 3.88Å; Q161-I165 VanDerWaalsContact O-CG1 3.25Å; Q161-I165 WeakPolarHBondContact O-CG1 3.34Å; Q161-I165 PolarHBondContact O-N 3.07Å; L162-I165 HydrophobicContact CD2-CD1 4.42Å; L162-I165 PolarHBondContact O-N 3.46Å; C163-I165 PolarHBondContact O-N 3.11Å; I165-L167 PolarHBondContact O-N 3.2Å; I165-N168 PolarHBondContact O-N 3.25Å; I165-H169 VanDerWaalsContact O-CB 3.24Å; I165-H169 WeakPolarHBondContact O-CB 3.44Å; I165-H169 PolarHBondContact O-N 3.39Å; I165-M185 HydrophobicContact CG2-CB 3.85Å; I165-M185 WeakPolarHBondContact CG2-O 3.25Å; I165-L186 HydrophobicContact CD1-CD1 4.4Å
166	W	92.7	Very high	93.4	Very high	133 Å²	133	61.5 Å²	61.5	50%	0.504	30%	0.3	S	S	.	.	H	α-helix	trans	-60.8	-47.1	-179.1	-178.9	80.5	0	0	0	112.3	L162 C163 C164 N170	L162-W166 PolarHBondContact O-N 3.35Å; C163-W166 PolarHBondContact O-N 3.19Å; C164-W166 VanDerWaalsContact C-N 3.35Å; C164-W166 PolarHBondContact O-N 3.19Å; W166-N170 VanDerWaalsContact CD2-ND2 3.32Å; W166-N170 WeakPolarHBondContact CZ2-ND2 3.28Å; W166-N170 PolarHBondContact NE1-ND2 3.39Å; W166-N170 WeakPolarHBondContact O-CB 3.4Å; W166-N170 PolarHBondContact O-N 3.39Å; W166-N170 PolarHBondContact O-ND2 3.12Å
167	L	92.9	Very high	93	Very high	95 Å²	95	61.8 Å²	61.8	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-47.1	178.1	-71.7	172.5	0	0	0	112.2	C163 C164 I165 W171	C163-L167 WeakPolarHBondContact O-CG 3.44Å; C163-L167 PolarHBondContact O-N 3.19Å; C164-L167 PolarHBondContact O-N 3.24Å; I165-L167 PolarHBondContact O-N 3.2Å; L167-W171 WeakPolarHBondContact O-CB 3.49Å; L167-W171 PolarHBondContact O-N 3.33Å
168	N	91.6	Very high	92.7	Very high	52 Å²	52	69.6 Å²	69.6	28%	0.278	35%	0.346	S	S	.	.	H	α-helix	trans	-69.2	-42.8	-178.7	-78.1	-77.2	0	0	0	111.6	Y129 C164 I165 N170 W171 Y172	Y129-N168 WeakPolarHBondContact CE2-ND2 3.24Å; Y129-N168 PolarHBondContact OH-ND2 3.47Å; C164-N168 WeakPolarHBondContact O-CB 3.48Å; C164-N168 PolarHBondContact O-N 2.94Å; C164-N168 PolarHBondContact O-ND2 3.38Å; I165-N168 PolarHBondContact O-N 3.25Å; N168-N170 PolarHBondContact O-N 3.49Å; N168-W171 WeakPolarHBondContact O-CB 3.41Å; N168-W171 PolarHBondContact O-N 3.48Å; N168-Y172 WeakPolarHBondContact O-CD2 3.46Å; N168-Y172 PolarHBondContact O-N 3.04Å
169	H	91	Very high	92.4	Very high	14 Å²	14	67.4 Å²	67.4	7%	0.065	33%	0.334	C	S	.	.	H	α-helix	trans	-62.5	-44.1	177.9	-174.5	95.5	0	0	0	111.6	T125 I165 W171 Y172 Q173 T180 M185	T125-H169 WeakPolarHBondContact CB-ND1 3.42Å; T125-H169 HydrophobicContact CG2-CB 4.24Å; T125-H169 PolarHBondContact OG1-CE1 3.06Å; T125-H169 PolarHBondContact OG1-ND1 3.32Å; I165-H169 VanDerWaalsContact O-CB 3.24Å; I165-H169 WeakPolarHBondContact O-CB 3.44Å; I165-H169 PolarHBondContact O-N 3.39Å; H169-W171 VanDerWaalsContact C-N 3.27Å; H169-W171 PolarHBondContact O-N 2.92Å; H169-Y172 CarbonylContact O-C 3.43Å; H169-Y172 PolarHBondContact O-N 3.11Å; H169-Y172 VanDerWaalsContact O-N 3.16Å; H169-Q173 WeakPolarHBondContact O-CB 3.45Å; H169-Q173 PolarHBondContact O-N 3.49Å; H169-T180 WeakPolarHBondContact CE1-CG2 3.39Å; H169-T180 WeakPolarHBondContact NE2-CG2 3.15Å; H169-M185 HydrophobicContact CB-CG 3.79Å; H169-M185 HydrophobicContact CB-SD 4.22Å; H169-M185 VanDerWaalsContact CD2-CG 3.46Å; H169-M185 WeakPolarHBondContact CD2-CG 3.13Å; H169-M185 WeakPolarHBondContact ND1-CG 3.35Å
170	N	92	Very high	92	Very high	36 Å²	36	64.5 Å²	64.5	19%	0.193	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-36.7	174.9	-73.1	-22.6	0	0	0	112.4	W166 N168 K174	W166-N170 VanDerWaalsContact CD2-ND2 3.32Å; W166-N170 WeakPolarHBondContact CZ2-ND2 3.28Å; W166-N170 PolarHBondContact NE1-ND2 3.39Å; W166-N170 WeakPolarHBondContact O-CB 3.4Å; W166-N170 PolarHBondContact O-N 3.39Å; W166-N170 PolarHBondContact O-ND2 3.12Å; N168-N170 PolarHBondContact O-N 3.49Å; N170-K174 WeakPolarHBondContact O-CG 3.35Å; N170-K174 PolarHBondContact O-N 3.39Å; N170-K174 VanDerWaalsContact O-N 3.17Å
171	W	91.8	Very high	91.6	Very high	88 Å²	88	66.7 Å²	66.7	33%	0.333	33%	0.334	S	S	.	.	H	α-helix	trans	-65.7	-45.5	173.8	-176.3	91.8	0	0	0	111.1	Y113 L167 N168 H169 Q173 K174 N175 F176	Y113-W171 AromaticContact CD1-CH2 3.67Å; Y113-W171 HydrophobicContact CD1-CH2 3.67Å; Y113-W171 HydrophobicContact CD1-CZ2 4.18Å; Y113-W171 HydrophobicContact CD2-CH2 4.07Å; Y113-W171 HydrophobicContact CD2-CZ2 4.05Å; Y113-W171 HydrophobicContact CE1-CH2 4.31Å; Y113-W171 HydrophobicContact CE1-CZ2 4.45Å; Y113-W171 HydrophobicContact CE2-CZ2 4.35Å; Y113-W171 AromaticContact CG-CH2 3.52Å; Y113-W171 HydrophobicContact CG-CH2 3.52Å; Y113-W171 AromaticContact CG-CZ2 3.97Å; Y113-W171 HydrophobicContact CG-CZ2 3.97Å; L167-W171 WeakPolarHBondContact O-CB 3.49Å; L167-W171 PolarHBondContact O-N 3.33Å; N168-W171 WeakPolarHBondContact O-CB 3.41Å; N168-W171 PolarHBondContact O-N 3.48Å; H169-W171 VanDerWaalsContact C-N 3.27Å; H169-W171 PolarHBondContact O-N 2.92Å; W171-Q173 VanDerWaalsContact C-N 3.35Å; W171-Q173 PolarHBondContact O-N 2.9Å; W171-K174 PolarHBondContact O-N 3.25Å; W171-N175 PolarHBondContact NE1-ND2 3.09Å; W171-N175 PolarHBondContact O-N 2.96Å; W171-N175 VanDerWaalsContact O-N 3.11Å; W171-N175 PolarHBondContact O-ND2 2.72Å; W171-F176 HydrophobicContact CH2-CE2 4.05Å; W171-F176 HydrophobicContact CZ3-CE2 4.01Å
172	Y	90.9	Very high	91.2	Very high	29 Å²	29	73.6 Å²	73.6	11%	0.114	36%	0.363	C	S	.	.	H	α-helix	trans	-63.1	-38.5	175.2	-80.3	-67.7	0	0	0	112.3	T125 N168 H169 K174 N175 F176 W179 T180	T125-Y172 HydrophobicContact CG2-CD2 3.43Å; T125-Y172 VanDerWaalsContact CG2-CD2 3.43Å; T125-Y172 HydrophobicContact CG2-CE2 4.14Å; T125-Y172 HydrophobicContact CG2-CG 4Å; N168-Y172 WeakPolarHBondContact O-CD2 3.46Å; N168-Y172 PolarHBondContact O-N 3.04Å; H169-Y172 CarbonylContact O-C 3.43Å; H169-Y172 PolarHBondContact O-N 3.11Å; H169-Y172 VanDerWaalsContact O-N 3.16Å; Y172-K174 VanDerWaalsContact C-N 3.31Å; Y172-K174 PolarHBondContact O-N 2.84Å; Y172-N175 PolarHBondContact O-N 2.93Å; Y172-F176 AromaticContact CD1-CD2 3.82Å; Y172-F176 HydrophobicContact CD1-CD2 3.82Å; Y172-F176 HydrophobicContact CD1-CE2 4.35Å; Y172-F176 HydrophobicContact CE1-CD2 4.41Å; Y172-F176 CarbonylContact O-C 3.31Å; Y172-F176 VanDerWaalsContact O-C 3.31Å; Y172-F176 VanDerWaalsContact O-CA 3.32Å; Y172-F176 WeakPolarHBondContact O-CA 3.49Å; Y172-F176 PolarHBondContact O-N 2.69Å; Y172-W179 HydrophobicContact CD1-CE3 4.39Å; Y172-W179 HydrophobicContact CD1-CZ3 4.01Å; Y172-W179 HydrophobicContact CD2-CZ3 4.47Å; Y172-W179 AromaticContact CG-CZ3 3.95Å; Y172-W179 HydrophobicContact CG-CZ3 3.95Å; Y172-T180 PolarHBondContact O-OG1 3Å; Y172-T180 VanDerWaalsContact O-OG1 3.09Å
173	Q	91.1	Very high	90.8	Very high	106 Å²	106	72.6 Å²	72.6	50%	0.495	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-39.2	177.3	-168.4	-179.3	17.3	0	0	111.9	H169 W171 P177 T180	H169-Q173 WeakPolarHBondContact O-CB 3.45Å; H169-Q173 PolarHBondContact O-N 3.49Å; W171-Q173 VanDerWaalsContact C-N 3.35Å; W171-Q173 PolarHBondContact O-N 2.9Å; Q173-P177 WeakPolarHBondContact O-CA 3.46Å; Q173-T180 HydrophobicContact CB-CG2 4.02Å; Q173-T180 HydrophobicContact CG-CG2 4.47Å; Q173-T180 PolarHBondContact N-OG1 3.31Å
174	K	92.2	Very high	90.4	Very high	179 Å²	179	70 Å²	70	78%	0.778	34%	0.339	S	S	*	.	H	α-helix	trans	-71.8	-35.8	177.9	-72.1	176	-177.9	-177.8	0	113.3	N170 W171 Y172	N170-K174 WeakPolarHBondContact O-CG 3.35Å; N170-K174 PolarHBondContact O-N 3.39Å; N170-K174 VanDerWaalsContact O-N 3.17Å; W171-K174 PolarHBondContact O-N 3.25Å; Y172-K174 VanDerWaalsContact C-N 3.31Å; Y172-K174 PolarHBondContact O-N 2.84Å
175	N	91.2	Very high	89.9	Confident	82 Å²	82	70 Å²	70	44%	0.439	34%	0.337	S	S	.	.	H	α-helix	trans	-95.9	-28.6	-174.2	-67.9	-84.5	0	0	0	113.4	W171 Y172	W171-N175 PolarHBondContact NE1-ND2 3.09Å; W171-N175 PolarHBondContact O-N 2.96Å; W171-N175 VanDerWaalsContact O-N 3.11Å; W171-N175 PolarHBondContact O-ND2 2.72Å; Y172-N175 PolarHBondContact O-N 2.93Å
176	F	90.8	Very high	89	Confident	50 Å²	50	72.3 Å²	72.3	22%	0.219	35%	0.349	C	S	.	.			trans	-141.4	65	-174.9	-51.7	-80.1	0	0	0	110.9	Y113 P115 W171 Y172 E178 W179 T180	Y113-F176 WeakPolarHBondContact O-CZ 3.44Å; P115-F176 HydrophobicContact CB-CD1 4.4Å; P115-F176 HydrophobicContact CB-CD2 4.4Å; P115-F176 HydrophobicContact CB-CG 4.18Å; P115-F176 HydrophobicContact CG-CD1 4.07Å; P115-F176 HydrophobicContact CG-CE1 4.43Å; P115-F176 HydrophobicContact CG-CG 4.33Å; W171-F176 HydrophobicContact CH2-CE2 4.05Å; W171-F176 HydrophobicContact CZ3-CE2 4.01Å; Y172-F176 AromaticContact CD1-CD2 3.82Å; Y172-F176 HydrophobicContact CD1-CD2 3.82Å; Y172-F176 HydrophobicContact CD1-CE2 4.35Å; Y172-F176 HydrophobicContact CE1-CD2 4.41Å; Y172-F176 CarbonylContact O-C 3.31Å; Y172-F176 VanDerWaalsContact O-C 3.31Å; Y172-F176 VanDerWaalsContact O-CA 3.32Å; Y172-F176 WeakPolarHBondContact O-CA 3.49Å; Y172-F176 PolarHBondContact O-N 2.69Å; F176-E178 PolarHBondContact O-N 2.67Å; F176-W179 HydrophobicContact CB-CB 3.96Å; F176-W179 PolarHBondContact O-N 3.13Å; F176-T180 WeakPolarHBondContact O-CB 3.43Å; F176-T180 PolarHBondContact O-N 3.21Å; F176-T180 PolarHBondContact O-OG1 3.01Å
177	P	89.1	Confident	87.9	Confident	80 Å²	80	69.8 Å²	69.8	52%	0.519	34%	0.344	S	S	.	.	H	α-helix	trans	-61.1	-41.3	-174.2	22.5	-33.3	0	0	0	113.2	Q173 W179 T180 S181	Q173-P177 WeakPolarHBondContact O-CA 3.46Å; P177-W179 VanDerWaalsContact C-N 3.33Å; P177-W179 PolarHBondContact O-N 3.26Å; P177-T180 PolarHBondContact O-N 3.24Å; P177-S181 WeakPolarHBondContact O-CB 3.47Å; P177-S181 PolarHBondContact O-N 3.31Å
178	E	89.9	Confident	86.5	Confident	166 Å²	166	67.9 Å²	67.9	78%	0.776	34%	0.338	S	S	*	.	H	α-helix	trans	-66.8	-33.6	178.8	-65.2	-172.9	171.4	0	0	113.3	F176 S181	F176-E178 PolarHBondContact O-N 2.67Å; E178-S181 PolarHBondContact O-OG 3.32Å
179	W	89.8	Confident	85	Confident	21 Å²	21	76.4 Å²	76.4	8%	0.08	37%	0.368	C	S	.	.	H	α-helix	trans	-73.3	-42.9	175	179.5	98.4	0	0	0	110.1	P115 P116 T125 Y172 F176 P177 S181 R183	P115-W179 HydrophobicContact CB-CB 4.34Å; P115-W179 HydrophobicContact CB-CD2 3.57Å; P115-W179 HydrophobicContact CB-CE3 4.18Å; P115-W179 HydrophobicContact CB-CG 3.6Å; P115-W179 HydrophobicContact CB-CZ2 4.29Å; P115-W179 HydrophobicContact CG-CB 4.45Å; P115-W179 HydrophobicContact CG-CD2 4.46Å; P115-W179 HydrophobicContact CG-CG 3.99Å; P116-W179 HydrophobicContact CG-CH2 3.89Å; P116-W179 HydrophobicContact CG-CZ2 3.69Å; P116-W179 VanDerWaalsContact O-CE2 3.3Å; P116-W179 WeakPolarHBondContact O-CZ2 3.32Å; P116-W179 PolarHBondContact O-NE1 3.36Å; T125-W179 HydrophobicContact CG2-CH2 3.99Å; T125-W179 HydrophobicContact CG2-CZ3 3.76Å; Y172-W179 HydrophobicContact CD1-CE3 4.39Å; Y172-W179 HydrophobicContact CD1-CZ3 4.01Å; Y172-W179 HydrophobicContact CD2-CZ3 4.47Å; Y172-W179 AromaticContact CG-CZ3 3.95Å; Y172-W179 HydrophobicContact CG-CZ3 3.95Å; F176-W179 HydrophobicContact CB-CB 3.96Å; F176-W179 PolarHBondContact O-N 3.13Å; P177-W179 VanDerWaalsContact C-N 3.33Å; P177-W179 PolarHBondContact O-N 3.26Å; W179-S181 PolarHBondContact O-N 2.96Å; W179-R183 VanDerWaalsContact CD1-CZ 3.46Å; W179-R183 VanDerWaalsContact CD1-NH1 3.27Å; W179-R183 VanDerWaalsContact CH2-CD 3.49Å; W179-R183 PolarHBondContact O-NH1 3.1Å
180	T	87.7	Confident	83.7	Confident	4 Å²	4	82.3 Å²	82.3	3%	0.025	40%	0.398	C	S	.	.	H	α-helix	trans	-70.6	-33.3	-175.7	-51	0	0	0	0	112.2	H169 Y172 Q173 F176 P177 K182 R183	H169-T180 WeakPolarHBondContact CE1-CG2 3.39Å; H169-T180 WeakPolarHBondContact NE2-CG2 3.15Å; Y172-T180 PolarHBondContact O-OG1 3Å; Y172-T180 VanDerWaalsContact O-OG1 3.09Å; Q173-T180 HydrophobicContact CB-CG2 4.02Å; Q173-T180 HydrophobicContact CG-CG2 4.47Å; Q173-T180 PolarHBondContact N-OG1 3.31Å; F176-T180 WeakPolarHBondContact O-CB 3.43Å; F176-T180 PolarHBondContact O-N 3.21Å; F176-T180 PolarHBondContact O-OG1 3.01Å; P177-T180 PolarHBondContact O-N 3.24Å; T180-K182 PolarHBondContact O-N 3.3Å; T180-R183 PolarHBondContact O-N 2.58Å; T180-R183 VanDerWaalsContact O-O 3.1Å
181	S	85.9	Confident	82.1	Confident	95 Å²	95	85.9 Å²	85.9	66%	0.664	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.1	-177.1	66.2	0	0	0	0	115	P177 E178 W179	P177-S181 WeakPolarHBondContact O-CB 3.47Å; P177-S181 PolarHBondContact O-N 3.31Å; E178-S181 PolarHBondContact O-OG 3.32Å; W179-S181 PolarHBondContact O-N 2.96Å
182	K	87.1	Confident	81.6	Confident	169 Å²	169	85.8 Å²	85.8	74%	0.735	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	1.4	179.5	-60.7	-179.1	-176.5	175.6	0	113.5	T180	T180-K182 PolarHBondContact O-N 3.3Å
183	R	88.5	Confident	81.1	Confident	29 Å²	29	88.7 Å²	88.7	11%	0.109	43%	0.429	C	S	.	.			trans	-130.6	140.9	-168.3	-67.8	164.1	175.2	87	-2.3	110.7	F121 W123 W179 T180	F121-R183 WeakPolarHBondContact O-CD 3.4Å; F121-R183 PolarHBondContact O-NE 2.79Å; W123-R183 WeakPolarHBondContact O-CA 3.37Å; W179-R183 VanDerWaalsContact CD1-CZ 3.46Å; W179-R183 VanDerWaalsContact CD1-NH1 3.27Å; W179-R183 VanDerWaalsContact CH2-CD 3.49Å; W179-R183 PolarHBondContact O-NH1 3.1Å; T180-R183 PolarHBondContact O-N 2.58Å; T180-R183 VanDerWaalsContact O-O 3.1Å
184	A	85.8	Confident	80.5	Confident	13 Å²	13	87.8 Å²	87.8	11%	0.107	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-87.4	161.9	173.5	0	0	0	0	0	111.9	W123 I124 T125 I187	W123-A184 PolarHBondContact O-N 3.32Å; I124-A184 WeakPolarHBondContact CA-O 3.08Å; T125-A184 PolarHBondContact N-O 2.83Å; A184-I187 WeakPolarHBondContact CB-O 3.17Å
185	M	81.5	Confident	79.9	Confident	29 Å²	29	82.4 Å²	82.4	14%	0.143	40%	0.404	C	S	.	.	S	Bend	trans	-73	-46.6	169	-64.7	-175.7	-122.3	0	0	110.9	I124 I165 H169 W191	I124-M185 WeakPolarHBondContact CG2-O 3.37Å; I165-M185 HydrophobicContact CG2-CB 3.85Å; I165-M185 WeakPolarHBondContact CG2-O 3.25Å; H169-M185 HydrophobicContact CB-CG 3.79Å; H169-M185 HydrophobicContact CB-SD 4.22Å; H169-M185 VanDerWaalsContact CD2-CG 3.46Å; H169-M185 WeakPolarHBondContact CD2-CG 3.13Å; H169-M185 WeakPolarHBondContact ND1-CG 3.35Å; M185-W191 WeakPolarHBondContact CA-O 3.45Å; M185-W191 HydrophobicContact CB-CD2 4.3Å; M185-W191 WeakPolarHBondContact CB-O 3.44Å; M185-W191 WeakPolarHBondContact CG-O 3.32Å; M185-W191 PolarHBondContact N-O 3.09Å; M185-W191 PolarHBondContact N-OXT 3.31Å; M185-W191 HydrophobicContact SD-CD2 4.49Å; M185-W191 HydrophobicContact SD-CZ2 4.08Å; M185-W191 PolarHBondContact SD-NE1 3.45Å
186	L	74.8	Confident	79.1	Confident	48 Å²	48	82.4 Å²	82.4	25%	0.251	40%	0.402	S	S	.	.	S	Bend	trans	-141	-53.7	-174.3	-163.4	146.4	0	0	0	113.9	I130 L162 I165 W191	I130-L186 HydrophobicContact CD1-CB 4.43Å; I130-L186 HydrophobicContact CD1-CG 4.11Å; I130-L186 HydrophobicContact CG1-CG 4.27Å; L162-L186 HydrophobicContact CD2-CD1 3.23Å; I165-L186 HydrophobicContact CD1-CD1 4.4Å; L186-W191 WeakPolarHBondContact CA-OXT 3.3Å; L186-W191 HydrophobicContact CB-CE3 3.82Å; L186-W191 HydrophobicContact CB-CZ3 4.17Å; L186-W191 HydrophobicContact CD1-CE3 4.47Å; L186-W191 HydrophobicContact CD1-CZ3 4.11Å; L186-W191 PolarHBondContact N-OXT 3.04Å
187	I	70.7	Confident	78.4	Confident	80 Å²	80	84.6 Å²	84.6	41%	0.41	41%	0.414	S	S	.	.	S	Bend	trans	-111	114.5	-179.7	-52.6	178.6	0	0	0	107.8	A184 Y189 I190 W191	A184-I187 WeakPolarHBondContact CB-O 3.17Å; I187-Y189 PolarHBondContact O-N 2.76Å; I187-Y189 VanDerWaalsContact O-N 3.12Å; I187-I190 HydrophobicContact CB-CB 4.1Å; I187-I190 HydrophobicContact CG2-CB 4.1Å; I187-I190 HydrophobicContact CG2-CD1 3.86Å; I187-I190 HydrophobicContact CG2-CG1 3.96Å; I187-I190 PolarHBondContact O-N 2.68Å; I187-W191 PolarHBondContact N-OXT 3.49Å; I187-W191 PolarHBondContact O-N 3.5Å
188	P	62.5	Low	77.6	Confident	56 Å²	56	84.9 Å²	84.9	36%	0.364	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.8	125.1	171.2	-28.2	35.7	0	0	0	110.4	I190	P188-I190 PolarHBondContact O-N 3.49Å
189	Y	61.3	Low	76.7	Confident	231 Å²	231	78.7 Å²	78.7	91%	0.906	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	-2.4	177.9	-41.3	-76.1	0	0	0	118.4	I187	I187-Y189 PolarHBondContact O-N 2.76Å; I187-Y189 VanDerWaalsContact O-N 3.12Å
190	I	63.9	Low	75.6	Confident	137 Å²	137	83.5 Å²	83.5	70%	0.703	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-51.9	176.8	-54.9	-176.7	0	0	0	111.2	I187 P188	I187-I190 HydrophobicContact CB-CB 4.1Å; I187-I190 HydrophobicContact CG2-CB 4.1Å; I187-I190 HydrophobicContact CG2-CD1 3.86Å; I187-I190 HydrophobicContact CG2-CG1 3.96Å; I187-I190 PolarHBondContact O-N 2.68Å; P188-I190 PolarHBondContact O-N 3.49Å
191	W	57.2	Low	74.5	Confident	111 Å²	111	90.7 Å²	90.7	42%	0.42	44%	0.438	S	S	.	.			trans	-154.7	0	-177.7	-171.3	54.7	0	0	0	108.9	L162 M185 L186 I187	L162-W191 HydrophobicContact CD2-CZ3 4.07Å; M185-W191 WeakPolarHBondContact CA-O 3.45Å; M185-W191 HydrophobicContact CB-CD2 4.3Å; M185-W191 WeakPolarHBondContact CB-O 3.44Å; M185-W191 WeakPolarHBondContact CG-O 3.32Å; M185-W191 PolarHBondContact N-O 3.09Å; M185-W191 PolarHBondContact N-OXT 3.31Å; M185-W191 HydrophobicContact SD-CD2 4.49Å; M185-W191 HydrophobicContact SD-CZ2 4.08Å; M185-W191 PolarHBondContact SD-NE1 3.45Å; L186-W191 WeakPolarHBondContact CA-OXT 3.3Å; L186-W191 HydrophobicContact CB-CE3 3.82Å; L186-W191 HydrophobicContact CB-CZ3 4.17Å; L186-W191 HydrophobicContact CD1-CE3 4.47Å; L186-W191 HydrophobicContact CD1-CZ3 4.11Å; L186-W191 PolarHBondContact N-OXT 3.04Å; I187-W191 PolarHBondContact N-OXT 3.49Å; I187-W191 PolarHBondContact O-N 3.5Å

Retrieved 191 of 191 residues in 221.1 ms (Link to these results)

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