A0A096NBS9_PAPAN Loading...

ORM1-like protein

Plays an essential role in the homeostatic regulation of sphingolipid de novo biosynthesis by modulating the activity of the serine palmitoyltransferase (SPT) in response to ceramide levels. When complexed to SPT, the binding of ceramides to its N-terminus stabilizes a conformation that block SPT substrate entry, hence preventing SPT catalytic activity. Through this mechanism, maintains ceramide levels at sufficient concentrations for the production of complex sphingolipids, but which prevents the accumulation of ceramides to levels that trigger apoptosis.

AlphaFold DB (Q9P0S3), UniProt , Accession A0A096NBS9, Species PAPAN (Papio anubis, Olive baboon), Gene ORMDL1, Length 153 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.7	Low	67.2	Low	229 Å²	229	115.6 Å²	115.6	100%	1.128	69%	0.688	S	S	*	*				0	109.3	0	-165.6	171.5	178.7	0	0	106.5	V3	M1-V3 PolarHBondContact O-N 3.05Å; M1-V3 VanDerWaalsContact O-N 3.08Å
2	N	56.2	Low	69	Low	172 Å²	172	109.4 Å²	109.4	92%	0.92	65%	0.653	S	S	*	*			trans	-75.5	97.3	175	-130.4	2.3	0	0	0	105.8	G4	N2-G4 PolarHBondContact O-N 2.93Å; N2-G4 VanDerWaalsContact O-N 3.09Å
3	V	64.4	Low	70.6	Confident	118 Å²	118	101.6 Å²	101.6	72%	0.715	61%	0.606	S	S	*	*			trans	-61.7	113.7	171.5	-114.9	0	0	0	0	105.7	M1 V5	M1-V3 PolarHBondContact O-N 3.05Å; M1-V3 VanDerWaalsContact O-N 3.08Å; V3-V5 PolarHBondContact O-N 3.22Å
4	G	65.2	Low	72.2	Confident	75 Å²	75	95 Å²	95	77%	0.773	57%	0.567	S	S	*	*			trans	-58.7	106.8	176.9	0	0	0	0	0	108.1	N2 A6	N2-G4 PolarHBondContact O-N 2.93Å; N2-G4 VanDerWaalsContact O-N 3.09Å; G4-A6 PolarHBondContact O-N 3.14Å; G4-A6 VanDerWaalsContact O-N 3.08Å
5	V	66.4	Low	73.5	Confident	110 Å²	110	98.9 Å²	98.9	67%	0.667	57%	0.567	S	S	*	*			trans	-68.5	111	171.9	-171.9	0	0	0	0	105.1	V3 H7	V3-V5 PolarHBondContact O-N 3.22Å; V5-H7 PolarHBondContact O-CD2 3.39Å; V5-H7 PolarHBondContact O-N 3.42Å
6	A	65.9	Low	74.5	Confident	92 Å²	92	95.9 Å²	95.9	76%	0.76	55%	0.552	S	S	*	*			trans	-63.6	102.1	171.4	0	0	0	0	0	107.2	G4 S8	G4-A6 PolarHBondContact O-N 3.14Å; G4-A6 VanDerWaalsContact O-N 3.08Å; A6-S8 VanDerWaalsContact C-N 3.32Å; A6-S8 PolarHBondContact O-N 3.45Å
7	H	61.7	Low	75.6	Confident	180 Å²	180	90.9 Å²	90.9	83%	0.833	52%	0.522	S	S	*	.			trans	-69.8	95.8	168.8	-66	-75.8	0	0	0	107	V5	V5-H7 PolarHBondContact O-CD2 3.39Å; V5-H7 PolarHBondContact O-N 3.42Å
8	S	69.2	Low	76.7	Confident	101 Å²	101	89.2 Å²	89.2	71%	0.706	51%	0.511	S	S	*	.			trans	-77.6	149.2	167.1	55.4	0	0	0	0	109.4	A6 V10	A6-S8 VanDerWaalsContact C-N 3.32Å; A6-S8 PolarHBondContact O-N 3.45Å; S8-V10 PolarHBondContact O-N 3.08Å
9	E	71.5	Confident	77.6	Confident	75 Å²	75	87.7 Å²	87.7	35%	0.35	51%	0.507	S	S	.	.			trans	-59.2	123.2	169.9	-177.1	60.9	-146.2	0	0	108.5	N11 T14 Y91	E9-N11 VanDerWaalsContact C-N 3.26Å; E9-N11 WeakPolarHBondContact CG-O 3.23Å; E9-N11 PolarHBondContact O-N 2.91Å; E9-T14 PolarHBondContact OE1-OG1 3.46Å; E9-Y91 WeakPolarHBondContact OE1-CE1 3.04Å; E9-Y91 PolarHBondContact OE1-OH 2.66Å; E9-Y91 PolarHBondContact OE2-OH 3.5Å
10	V	78.5	Confident	78.5	Confident	102 Å²	102	92.1 Å²	92.1	62%	0.618	51%	0.514	S	S	*	.	S	Bend	trans	-60	-42.2	-176.9	176	0	0	0	0	110.2	S8 P12 E73	S8-V10 PolarHBondContact O-N 3.08Å; V10-P12 WeakPolarHBondContact O-CD 3.27Å; V10-E73 VanDerWaalsContact CG1-CD 3.46Å; V10-E73 WeakPolarHBondContact CG1-OE1 3.42Å; V10-E73 WeakPolarHBondContact CG1-OE2 3.32Å; V10-E73 WeakPolarHBondContact O-CG 3.44Å
11	N	87.2	Confident	79.4	Confident	18 Å²	18	89.5 Å²	89.5	10%	0.096	51%	0.508	C	S	.	.			trans	-115.5	97.1	177.5	177.9	5.8	0	0	0	112.1	E9 N13 T14 T70 Q88	E9-N11 VanDerWaalsContact C-N 3.26Å; E9-N11 WeakPolarHBondContact CG-O 3.23Å; E9-N11 PolarHBondContact O-N 2.91Å; N11-N13 PolarHBondContact O-N 3.47Å; N11-N13 WeakPolarHBondContact OD1-CB 3.45Å; N11-N13 PolarHBondContact OD1-N 3.04Å; N11-T14 HydrophobicContact CB-CG2 4.23Å; N11-T14 PolarHBondContact O-N 3.46Å; N11-T14 VanDerWaalsContact O-N 3.12Å; N11-T14 PolarHBondContact O-OG1 3.45Å; N11-T70 HydrophobicContact CB-CG2 4.2Å; N11-T70 WeakPolarHBondContact ND2-CG2 3.38Å; N11-T70 WeakPolarHBondContact OD1-CG2 3.31Å; N11-Q88 PolarHBondContact ND2-OE1 3.47Å; N11-Q88 PolarHBondContact OD1-OE1 2.81Å
12	P	89	Confident	81.5	Confident	41 Å²	41	81.8 Å²	81.8	27%	0.266	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-58	-21.4	178.7	-27.2	34.6	0	0	0	115.4	V10 T14 R15 V16 F72	V10-P12 WeakPolarHBondContact O-CD 3.27Å; P12-T14 PolarHBondContact O-N 3.23Å; P12-T14 VanDerWaalsContact O-N 3.16Å; P12-R15 PolarHBondContact O-N 3.48Å; P12-R15 VanDerWaalsContact O-N 3.07Å; P12-V16 WeakPolarHBondContact O-CB 3.35Å; P12-V16 WeakPolarHBondContact O-CG1 3.46Å; P12-V16 PolarHBondContact O-N 3.04Å; P12-F72 HydrophobicContact CB-CD2 3.72Å; P12-F72 HydrophobicContact CB-CE2 3.79Å; P12-F72 HydrophobicContact CB-CG 4.38Å; P12-F72 HydrophobicContact CB-CZ 4.5Å; P12-F72 HydrophobicContact CG-CB 4.1Å; P12-F72 HydrophobicContact CG-CD2 3.62Å; P12-F72 HydrophobicContact CG-CE2 4.18Å; P12-F72 HydrophobicContact CG-CG 3.86Å
13	N	90.6	Very high	83.4	Confident	8 Å²	8	75.4 Å²	75.4	4%	0.043	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-60.6	-24.9	177.8	-68	-16.2	0	0	0	112.7	N11 R15 G69 H85 Q88	N11-N13 PolarHBondContact O-N 3.47Å; N11-N13 WeakPolarHBondContact OD1-CB 3.45Å; N11-N13 PolarHBondContact OD1-N 3.04Å; N13-R15 VanDerWaalsContact C-N 3.25Å; N13-R15 PolarHBondContact O-N 3.34Å; N13-G69 PolarHBondContact ND2-O 3.02Å; N13-H85 VanDerWaalsContact CB-CE1 3.45Å; N13-H85 WeakPolarHBondContact CB-CE1 3.35Å; N13-H85 PolarHBondContact ND2-ND1 3.26Å; N13-H85 PolarHBondContact OD1-CE1 3Å; N13-H85 PolarHBondContact OD1-ND1 3.41Å; N13-Q88 HydrophobicContact CB-CB 4.21Å; N13-Q88 VanDerWaalsContact CB-OE1 3.31Å; N13-Q88 PolarHBondContact ND2-OE1 2.95Å
14	T	92	Very high	85	Confident	9 Å²	9	74.9 Å²	74.9	6%	0.055	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-68.6	-26	178.6	63.5	0	0	0	0	112	E9 N11 P12 Q88 D90 Y91	E9-T14 PolarHBondContact OE1-OG1 3.46Å; N11-T14 HydrophobicContact CB-CG2 4.23Å; N11-T14 PolarHBondContact O-N 3.46Å; N11-T14 VanDerWaalsContact O-N 3.12Å; N11-T14 PolarHBondContact O-OG1 3.45Å; P12-T14 PolarHBondContact O-N 3.23Å; P12-T14 VanDerWaalsContact O-N 3.16Å; T14-Q88 WeakPolarHBondContact CA-O 3.44Å; T14-D90 VanDerWaalsContact O-CA 3.29Å; T14-D90 WeakPolarHBondContact O-CA 3.35Å; T14-D90 PolarHBondContact O-N 3.36Å; T14-Y91 HydrophobicContact CG2-CD1 3.74Å; T14-Y91 HydrophobicContact CG2-CE1 3.74Å
15	R	91.5	Very high	86.6	Confident	153 Å²	153	75.7 Å²	75.7	58%	0.577	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	-22.5	-172.4	-53.4	-167.1	86.6	-156.4	4.4	116.4	P12 N13 M17 N18 Y91	P12-R15 PolarHBondContact O-N 3.48Å; P12-R15 VanDerWaalsContact O-N 3.07Å; N13-R15 VanDerWaalsContact C-N 3.25Å; N13-R15 PolarHBondContact O-N 3.34Å; R15-M17 PolarHBondContact O-N 2.79Å; R15-M17 VanDerWaalsContact O-N 3.09Å; R15-N18 VanDerWaalsContact O-CB 3.3Å; R15-N18 WeakPolarHBondContact O-CB 3.48Å; R15-N18 PolarHBondContact O-N 2.94Å; R15-N18 PolarHBondContact O-ND2 3.18Å; R15-Y91 HydrophobicContact CG-CE2 4.3Å
16	V	90.4	Very high	88.1	Confident	52 Å²	52	72.3 Å²	72.3	32%	0.315	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-52.8	-38.7	-172.8	65.4	0	0	0	0	112.4	P12 N18 S19 M22	P12-V16 WeakPolarHBondContact O-CB 3.35Å; P12-V16 WeakPolarHBondContact O-CG1 3.46Å; P12-V16 PolarHBondContact O-N 3.04Å; V16-N18 PolarHBondContact O-N 3.29Å; V16-S19 PolarHBondContact O-N 2.86Å; V16-M22 HydrophobicContact CG2-CG 4.36Å; V16-M22 WeakPolarHBondContact O-CG 3.29Å
17	M	93.3	Very high	89.7	Confident	10 Å²	10	70.5 Å²	70.5	5%	0.049	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-70.9	-6.9	-180	-71.1	-56.3	154.7	0	0	114.7	R15 M22 W23 F63 H85 L89 S98 F102	R15-M17 PolarHBondContact O-N 2.79Å; R15-M17 VanDerWaalsContact O-N 3.09Å; M17-M22 HydrophobicContact CE-CE 4Å; M17-M22 HydrophobicContact SD-CE 4.2Å; M17-W23 PolarHBondContact O-NE1 3.23Å; M17-F63 HydrophobicContact CE-CE1 3.43Å; M17-F63 VanDerWaalsContact CE-CE1 3.43Å; M17-F63 HydrophobicContact CE-CZ 3.43Å; M17-F63 VanDerWaalsContact CE-CZ 3.43Å; M17-H85 WeakPolarHBondContact CE-NE2 3.15Å; M17-H85 WeakPolarHBondContact CG-NE2 3.22Å; M17-L89 HydrophobicContact CB-CD1 3.45Å; M17-L89 VanDerWaalsContact CB-CD1 3.45Å; M17-L89 HydrophobicContact CG-CD1 4.08Å; M17-S98 PolarHBondContact O-OG 2.87Å; M17-F102 HydrophobicContact CB-CE2 3.92Å; M17-F102 HydrophobicContact CG-CE2 4.1Å; M17-F102 HydrophobicContact CG-CZ 4.47Å; M17-F102 HydrophobicContact SD-CE2 3.81Å; M17-F102 HydrophobicContact SD-CZ 3.58Å; M17-F102 VanDerWaalsContact SD-CZ 3.58Å
18	N	94.3	Very high	91.4	Very high	61 Å²	61	67.2 Å²	67.2	33%	0.326	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-80.5	-15.7	172.7	-69.7	-67	0	0	0	113.7	R15 V16 R20 D90 S98	R15-N18 VanDerWaalsContact O-CB 3.3Å; R15-N18 WeakPolarHBondContact O-CB 3.48Å; R15-N18 PolarHBondContact O-N 2.94Å; R15-N18 PolarHBondContact O-ND2 3.18Å; V16-N18 PolarHBondContact O-N 3.29Å; N18-R20 PolarHBondContact O-N 3.05Å; N18-D90 PolarHBondContact ND2-OD1 2.9Å; N18-D90 PolarHBondContact OD1-OD1 2.83Å; N18-S98 VanDerWaalsContact CA-OG 3.31Å; N18-S98 WeakPolarHBondContact CA-OG 3.45Å; N18-S98 PolarHBondContact OD1-OG 3.3Å
19	S	95	Very high	92.8	Very high	61 Å²	61	64.4 Å²	64.4	43%	0.427	35%	0.351	S	S	.	.			trans	-66.8	133.9	-177.9	173.2	0	0	0	0	111.6	V16 G21 M22 W23	V16-S19 PolarHBondContact O-N 2.86Å; S19-G21 PolarHBondContact O-N 3.17Å; S19-G21 PolarHBondContact OG-N 3.03Å; S19-G21 VanDerWaalsContact OG-N 3.16Å; S19-M22 WeakPolarHBondContact O-CB 3.38Å; S19-M22 PolarHBondContact O-N 2.67Å; S19-M22 VanDerWaalsContact O-N 3.09Å; S19-W23 PolarHBondContact O-N 3.4Å
20	R	95.5	Very high	94.1	Very high	174 Å²	174	62 Å²	62	66%	0.657	34%	0.342	S	S	*	.	H	α-helix	trans	-60.7	-32.6	171.9	-59	-57.1	-175.6	179.7	1.7	112.2	N18 M22 W23 L24	N18-R20 PolarHBondContact O-N 3.05Å; R20-M22 VanDerWaalsContact C-N 3.33Å; R20-W23 PolarHBondContact O-N 3.05Å; R20-L24 PolarHBondContact O-N 3.03Å
21	G	97.3	Very high	95.1	Very high	38 Å²	38	58.7 Å²	58.7	39%	0.392	33%	0.328	S	S	.	.	H	α-helix	trans	-60	-44.1	173.6	0	0	0	0	0	111.4	S19 W23 L24 T25	S19-G21 PolarHBondContact O-N 3.17Å; S19-G21 PolarHBondContact OG-N 3.03Å; S19-G21 VanDerWaalsContact OG-N 3.16Å; G21-W23 VanDerWaalsContact C-N 3.32Å; G21-W23 PolarHBondContact O-N 2.86Å; G21-L24 PolarHBondContact O-N 2.73Å; G21-T25 WeakPolarHBondContact O-CB 3.34Å; G21-T25 PolarHBondContact O-N 3.24Å; G21-T25 PolarHBondContact O-OG1 2.96Å; G21-T25 VanDerWaalsContact O-OG1 3.06Å
22	M	95.7	Very high	95.6	Very high	67 Å²	67	63.1 Å²	63.1	33%	0.33	35%	0.351	S	S	.	.	H	α-helix	trans	-61.8	-39.8	176.3	-73.2	-56	-58.9	0	0	112.3	V16 M17 S19 R20 T25 Y26	V16-M22 HydrophobicContact CG2-CG 4.36Å; V16-M22 WeakPolarHBondContact O-CG 3.29Å; M17-M22 HydrophobicContact CE-CE 4Å; M17-M22 HydrophobicContact SD-CE 4.2Å; S19-M22 WeakPolarHBondContact O-CB 3.38Å; S19-M22 PolarHBondContact O-N 2.67Å; S19-M22 VanDerWaalsContact O-N 3.09Å; R20-M22 VanDerWaalsContact C-N 3.33Å; M22-T25 PolarHBondContact O-N 2.92Å; M22-Y26 VanDerWaalsContact O-CB 3.27Å; M22-Y26 WeakPolarHBondContact O-CB 3.27Å; M22-Y26 PolarHBondContact O-N 3.07Å
23	W	97.7	Very high	96.1	Very high	39 Å²	39	63.3 Å²	63.3	15%	0.148	35%	0.349	C	S	.	.	H	α-helix	trans	-67.6	-41	179.4	-62.8	13.3	0	0	0	111.6	M17 S19 R20 G21 A27 F101	M17-W23 PolarHBondContact O-NE1 3.23Å; S19-W23 PolarHBondContact O-N 3.4Å; R20-W23 PolarHBondContact O-N 3.05Å; G21-W23 VanDerWaalsContact C-N 3.32Å; G21-W23 PolarHBondContact O-N 2.86Å; W23-A27 PolarHBondContact O-N 2.91Å; W23-F101 HydrophobicContact CB-CE1 4.07Å; W23-F101 HydrophobicContact CB-CE2 3.95Å; W23-F101 HydrophobicContact CB-CZ 3.68Å; W23-F101 HydrophobicContact CD2-CB 4.38Å; W23-F101 HydrophobicContact CD2-CD1 4.24Å; W23-F101 AromaticContact CD2-CD2 3.86Å; W23-F101 HydrophobicContact CD2-CD2 3.86Å; W23-F101 HydrophobicContact CD2-CE2 4.15Å; W23-F101 AromaticContact CD2-CG 3.89Å; W23-F101 HydrophobicContact CD2-CG 3.89Å; W23-F101 HydrophobicContact CD2-CZ 4.47Å; W23-F101 HydrophobicContact CE3-CB 4.4Å; W23-F101 AromaticContact CE3-CD2 3.56Å; W23-F101 HydrophobicContact CE3-CD2 3.56Å; W23-F101 AromaticContact CE3-CE2 3.96Å; W23-F101 HydrophobicContact CE3-CE2 3.96Å; W23-F101 AromaticContact CE3-CG 4Å; W23-F101 HydrophobicContact CE3-CG 4Å; W23-F101 HydrophobicContact CG-CD1 4.14Å; W23-F101 HydrophobicContact CG-CD2 4.27Å; W23-F101 HydrophobicContact CG-CE1 4.03Å; W23-F101 HydrophobicContact CG-CE2 4.16Å; W23-F101 HydrophobicContact CG-CG 4.25Å; W23-F101 HydrophobicContact CG-CZ 4.03Å; W23-F101 HydrophobicContact CH2-CB 4.13Å; W23-F101 HydrophobicContact CZ2-CB 4.15Å; W23-F101 HydrophobicContact CZ3-CB 4.22Å; W23-F101 AromaticContact CZ3-CD2 3.96Å; W23-F101 HydrophobicContact CZ3-CD2 3.96Å; W23-F101 HydrophobicContact CZ3-CG 4.29Å
24	L	98.2	Very high	96.5	Very high	107 Å²	107	64.1 Å²	64.1	56%	0.56	35%	0.353	S	S	*	.	H	α-helix	trans	-64.9	-49.2	175.2	178.7	61.3	0	0	0	111.1	R20 G21 Y26 A27 L28	R20-L24 PolarHBondContact O-N 3.03Å; G21-L24 PolarHBondContact O-N 2.73Å; L24-Y26 VanDerWaalsContact C-N 3.28Å; L24-Y26 PolarHBondContact O-N 2.88Å; L24-A27 PolarHBondContact O-N 3.49Å; L24-A27 VanDerWaalsContact O-N 3.13Å; L24-L28 HydrophobicContact CD1-CD1 4.14Å; L24-L28 HydrophobicContact CD1-CG 4.11Å; L24-L28 HydrophobicContact CG-CD1 3.98Å; L24-L28 HydrophobicContact CG-CG 4.36Å; L24-L28 WeakPolarHBondContact O-CB 3.09Å; L24-L28 WeakPolarHBondContact O-CG 3.26Å; L24-L28 PolarHBondContact O-N 3.36Å
25	T	98.1	Very high	96.8	Very high	91 Å²	91	68.7 Å²	68.7	56%	0.558	38%	0.376	S	S	*	.	H	α-helix	trans	-58.1	-41.8	177.2	-63.2	0	0	0	0	111.5	G21 M22 G29	G21-T25 WeakPolarHBondContact O-CB 3.34Å; G21-T25 PolarHBondContact O-N 3.24Å; G21-T25 PolarHBondContact O-OG1 2.96Å; G21-T25 VanDerWaalsContact O-OG1 3.06Å; M22-T25 PolarHBondContact O-N 2.92Å; T25-G29 PolarHBondContact O-N 3.39Å
26	Y	98.1	Very high	97.2	Very high	40 Å²	40	65.2 Å²	65.2	16%	0.157	37%	0.372	C	S	.	.	H	α-helix	trans	-58.7	-51.7	173.1	167.5	-88.3	0	0	0	111.7	M22 L24 L28 G29 V30 H56 M60 F101 F102 S105	M22-Y26 VanDerWaalsContact O-CB 3.27Å; M22-Y26 WeakPolarHBondContact O-CB 3.27Å; M22-Y26 PolarHBondContact O-N 3.07Å; L24-Y26 VanDerWaalsContact C-N 3.28Å; L24-Y26 PolarHBondContact O-N 2.88Å; Y26-L28 VanDerWaalsContact C-N 3.34Å; Y26-L28 PolarHBondContact O-N 2.65Å; Y26-G29 PolarHBondContact O-N 3.29Å; Y26-G29 VanDerWaalsContact O-N 3.11Å; Y26-V30 HydrophobicContact CE1-CG2 4.3Å; Y26-V30 HydrophobicContact CE2-CG2 4.47Å; Y26-V30 WeakPolarHBondContact O-CG2 3.35Å; Y26-V30 PolarHBondContact O-N 3.33Å; Y26-H56 AromaticContact CE2-NE2 3.6Å; Y26-H56 AromaticContact CZ-NE2 3.36Å; Y26-H56 PolarHBondContact OH-CE1 3.33Å; Y26-H56 VanDerWaalsContact OH-CE1 3.24Å; Y26-H56 PolarHBondContact OH-NE2 3.36Å; Y26-M60 HydrophobicContact CD2-SD 4.42Å; Y26-M60 HydrophobicContact CE2-CE 3.95Å; Y26-M60 HydrophobicContact CE2-SD 3.65Å; Y26-F101 AromaticContact CD1-CE1 3.52Å; Y26-F101 HydrophobicContact CD1-CE1 3.52Å; Y26-F101 AromaticContact CD1-CZ 3.53Å; Y26-F101 HydrophobicContact CD1-CZ 3.53Å; Y26-F101 AromaticContact CE1-CE1 3.85Å; Y26-F101 HydrophobicContact CE1-CE1 3.85Å; Y26-F101 AromaticContact CE1-CZ 3.94Å; Y26-F101 HydrophobicContact CE1-CZ 3.94Å; Y26-F101 HydrophobicContact CG-CE1 4.04Å; Y26-F101 HydrophobicContact CG-CZ 4.36Å; Y26-F102 HydrophobicContact CD2-CD1 4.41Å; Y26-F102 AromaticContact CD2-CE1 3.83Å; Y26-F102 HydrophobicContact CD2-CE1 3.83Å; Y26-F102 HydrophobicContact CE2-CD1 4.13Å; Y26-F102 HydrophobicContact CE2-CE1 4Å; Y26-F102 HydrophobicContact CG-CE1 4.19Å; Y26-S105 WeakPolarHBondContact OH-CB 3.45Å
27	A	98.3	Very high	97.5	Very high	53 Å²	53	63.3 Å²	63.3	44%	0.438	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-41.6	-178.4	0	0	0	0	0	112	W23 L24 G29 V30 G31	W23-A27 PolarHBondContact O-N 2.91Å; L24-A27 PolarHBondContact O-N 3.49Å; L24-A27 VanDerWaalsContact O-N 3.13Å; A27-G29 VanDerWaalsContact C-N 3.34Å; A27-V30 PolarHBondContact O-N 3.39Å; A27-G31 PolarHBondContact O-N 3.5Å
28	L	98.6	Very high	97.8	Very high	112 Å²	112	66.5 Å²	66.5	59%	0.586	38%	0.377	S	S	*	.	H	α-helix	trans	-63.3	-39.4	173.7	-69	175.7	0	0	0	111.9	L24 Y26 G31 L32	L24-L28 HydrophobicContact CD1-CD1 4.14Å; L24-L28 HydrophobicContact CD1-CG 4.11Å; L24-L28 HydrophobicContact CG-CD1 3.98Å; L24-L28 HydrophobicContact CG-CG 4.36Å; L24-L28 WeakPolarHBondContact O-CB 3.09Å; L24-L28 WeakPolarHBondContact O-CG 3.26Å; L24-L28 PolarHBondContact O-N 3.36Å; Y26-L28 VanDerWaalsContact C-N 3.34Å; Y26-L28 PolarHBondContact O-N 2.65Å; L28-G31 PolarHBondContact O-N 3.14Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 PolarHBondContact O-N 2.75Å
29	G	98.6	Very high	98	Very high	41 Å²	41	67.9 Å²	67.9	42%	0.423	39%	0.391	S	S	.	.	H	α-helix	trans	-61.7	-43.7	176	0	0	0	0	0	112.6	T25 Y26 A27 L32 L33	T25-G29 PolarHBondContact O-N 3.39Å; Y26-G29 PolarHBondContact O-N 3.29Å; Y26-G29 VanDerWaalsContact O-N 3.11Å; A27-G29 VanDerWaalsContact C-N 3.34Å; G29-L32 PolarHBondContact O-N 3.05Å; G29-L33 WeakPolarHBondContact O-CB 3.37Å; G29-L33 PolarHBondContact O-N 3.14Å
30	V	98.8	Very high	98.1	Very high	25 Å²	25	67.7 Å²	67.7	15%	0.152	39%	0.385	C	S	.	.	H	α-helix	trans	-64.4	-43.6	174.4	-178.9	0	0	0	0	111.2	Y26 A27 L33 H34 T52 H56 L109	Y26-V30 HydrophobicContact CE1-CG2 4.3Å; Y26-V30 HydrophobicContact CE2-CG2 4.47Å; Y26-V30 WeakPolarHBondContact O-CG2 3.35Å; Y26-V30 PolarHBondContact O-N 3.33Å; A27-V30 PolarHBondContact O-N 3.39Å; V30-L33 PolarHBondContact O-N 3.01Å; V30-H34 PolarHBondContact O-N 3.41Å; V30-T52 HydrophobicContact CG1-CG2 4.4Å; V30-H56 VanDerWaalsContact CG2-CD2 3.46Å; V30-H56 WeakPolarHBondContact CG2-CD2 3.28Å; V30-L109 HydrophobicContact CG1-CD1 4.32Å; V30-L109 HydrophobicContact CG1-CD2 4.14Å
31	G	98.7	Very high	98.2	Very high	32 Å²	32	64.8 Å²	64.8	33%	0.33	39%	0.388	S	S	.	.	H	α-helix	trans	-61	-44.9	176.4	0	0	0	0	0	112.6	A27 L28 H34 I35	A27-G31 PolarHBondContact O-N 3.5Å; L28-G31 PolarHBondContact O-N 3.14Å; G31-H34 PolarHBondContact O-N 3.04Å; G31-I35 VanDerWaalsContact O-CG1 3.32Å; G31-I35 WeakPolarHBondContact O-CG1 3.32Å; G31-I35 PolarHBondContact O-N 2.84Å
32	L	98.8	Very high	98.1	Very high	112 Å²	112	71.8 Å²	71.8	59%	0.586	41%	0.408	S	S	*	.	H	α-helix	trans	-63	-46.5	177.2	179	61.4	0	0	0	111.6	L28 G29 H34 I35 V36	L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 PolarHBondContact O-N 2.75Å; G29-L32 PolarHBondContact O-N 3.05Å; L32-H34 VanDerWaalsContact C-N 3.25Å; L32-H34 PolarHBondContact O-N 3.4Å; L32-I35 PolarHBondContact O-N 2.93Å; L32-V36 HydrophobicContact CD1-CG2 4.2Å; L32-V36 HydrophobicContact CG-CG2 4.47Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.32Å; L32-V36 PolarHBondContact O-N 3.46Å
33	L	98.8	Very high	98.2	Very high	44 Å²	44	72.3 Å²	72.3	23%	0.23	41%	0.409	C	S	.	.	H	α-helix	trans	-52.7	-47.5	173.5	170.1	63.8	0	0	0	110.9	G29 V30 V36 L37 T52 I55	G29-L33 WeakPolarHBondContact O-CB 3.37Å; G29-L33 PolarHBondContact O-N 3.14Å; V30-L33 PolarHBondContact O-N 3.01Å; L33-V36 PolarHBondContact O-N 3.2Å; L33-L37 HydrophobicContact CD1-CD1 3.88Å; L33-L37 HydrophobicContact CD1-CG 4.21Å; L33-L37 HydrophobicContact CG-CD1 4.02Å; L33-L37 VanDerWaalsContact O-CG 3.32Å; L33-L37 WeakPolarHBondContact O-CG 3.41Å; L33-L37 PolarHBondContact O-N 3.04Å; L33-T52 HydrophobicContact CD2-CG2 4.43Å; L33-I55 HydrophobicContact CD1-CD1 4.36Å; L33-I55 HydrophobicContact CD1-CG2 4.01Å; L33-I55 HydrophobicContact CD2-CB 4.09Å; L33-I55 HydrophobicContact CD2-CG2 3.77Å
34	H	98.8	Very high	98.2	Very high	25 Å²	25	73.4 Å²	73.4	12%	0.116	42%	0.422	C	S	.	.	H	α-helix	trans	-63.6	-44.9	-179.6	-171.2	57.2	0	0	0	112.6	V30 G31 L32 V36 L37 L38 W49 T52	V30-H34 PolarHBondContact O-N 3.41Å; G31-H34 PolarHBondContact O-N 3.04Å; L32-H34 VanDerWaalsContact C-N 3.25Å; L32-H34 PolarHBondContact O-N 3.4Å; H34-V36 VanDerWaalsContact C-N 3.34Å; H34-V36 PolarHBondContact O-N 2.94Å; H34-L37 PolarHBondContact O-N 3.42Å; H34-L38 WeakPolarHBondContact NE2-CD1 3.46Å; H34-L38 WeakPolarHBondContact O-CG 3.46Å; H34-L38 PolarHBondContact O-N 2.89Å; H34-W49 AromaticContact CE1-CD1 3.79Å; H34-W49 AromaticContact CE1-CD2 3.46Å; H34-W49 VanDerWaalsContact CE1-CD2 3.46Å; H34-W49 AromaticContact CE1-CE2 3.37Å; H34-W49 AromaticContact CE1-CE3 3.97Å; H34-W49 AromaticContact CE1-CG 3.75Å; H34-W49 AromaticContact CE1-CZ2 3.83Å; H34-W49 AromaticContact CE1-NE1 3.57Å; H34-W49 AromaticContact NE2-CD2 3.91Å; H34-W49 AromaticContact NE2-CE2 3.33Å; H34-W49 VanDerWaalsContact NE2-CE2 3.33Å; H34-W49 AromaticContact NE2-CH2 3.96Å; H34-W49 AromaticContact NE2-CZ2 3.38Å; H34-W49 WeakPolarHBondContact NE2-CZ2 3.41Å; H34-W49 AromaticContact NE2-NE1 3.59Å; H34-T52 HydrophobicContact CB-CG2 3.89Å; H34-T52 PolarHBondContact ND1-OG1 3.31Å
35	I	98.7	Very high	98.2	Very high	105 Å²	105	71.9 Å²	71.9	54%	0.538	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-42.6	177.5	-69.4	165.9	0	0	0	111	G31 L32 L37 L38 S39	G31-I35 VanDerWaalsContact O-CG1 3.32Å; G31-I35 WeakPolarHBondContact O-CG1 3.32Å; G31-I35 PolarHBondContact O-N 2.84Å; L32-I35 PolarHBondContact O-N 2.93Å; I35-L37 VanDerWaalsContact C-N 3.35Å; I35-L37 PolarHBondContact O-N 2.82Å; I35-L38 PolarHBondContact O-N 2.85Å; I35-S39 WeakPolarHBondContact O-CB 3.11Å; I35-S39 PolarHBondContact O-N 3.19Å; I35-S39 PolarHBondContact O-OG 2.95Å
36	V	98.8	Very high	98.3	Very high	80 Å²	80	69.4 Å²	69.4	49%	0.485	40%	0.403	S	S	.	.	H	α-helix	trans	-60.6	-46	176.2	169.5	0	0	0	0	110.4	L32 L33 H34 L38 S39	L32-V36 HydrophobicContact CD1-CG2 4.2Å; L32-V36 HydrophobicContact CG-CG2 4.47Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.32Å; L32-V36 PolarHBondContact O-N 3.46Å; L33-V36 PolarHBondContact O-N 3.2Å; H34-V36 VanDerWaalsContact C-N 3.34Å; H34-V36 PolarHBondContact O-N 2.94Å; V36-L38 PolarHBondContact O-N 3.48Å; V36-S39 WeakPolarHBondContact O-CB 3.37Å; V36-S39 PolarHBondContact O-N 2.93Å; V36-S39 VanDerWaalsContact O-N 3.14Å
37	L	98.7	Very high	98.3	Very high	13 Å²	13	69.8 Å²	69.8	7%	0.068	41%	0.409	C	S	.	.	H	α-helix	trans	-64.7	-38.8	178.5	-70.7	168.4	0	0	0	112.9	L33 H34 I35 S39 I40 F43 A48 L51 T52 I55	L33-L37 HydrophobicContact CD1-CD1 3.88Å; L33-L37 HydrophobicContact CD1-CG 4.21Å; L33-L37 HydrophobicContact CG-CD1 4.02Å; L33-L37 VanDerWaalsContact O-CG 3.32Å; L33-L37 WeakPolarHBondContact O-CG 3.41Å; L33-L37 PolarHBondContact O-N 3.04Å; H34-L37 PolarHBondContact O-N 3.42Å; I35-L37 VanDerWaalsContact C-N 3.35Å; I35-L37 PolarHBondContact O-N 2.82Å; L37-S39 PolarHBondContact O-N 3.14Å; L37-I40 HydrophobicContact CD2-CD1 4.3Å; L37-I40 PolarHBondContact O-N 3.33Å; L37-F43 HydrophobicContact CD2-CD2 4.26Å; L37-F43 HydrophobicContact CD2-CE2 3.86Å; L37-A48 HydrophobicContact CB-CB 4.25Å; L37-L51 HydrophobicContact CD1-CB 3.98Å; L37-L51 HydrophobicContact CD2-CB 4.26Å; L37-L51 HydrophobicContact CD2-CD1 4.3Å; L37-T52 WeakPolarHBondContact CD1-OG1 3.45Å; L37-I55 HydrophobicContact CD1-CD1 4.26Å; L37-I55 HydrophobicContact CD2-CD1 4.27Å
38	L	98.4	Very high	98.3	Very high	77 Å²	77	67.2 Å²	67.2	40%	0.403	39%	0.388	S	S	.	.	H	α-helix	trans	-66.6	-24.4	174.3	-75.8	176.3	0	0	0	113.1	H34 I35 V36 I40 V45 A48	H34-L38 WeakPolarHBondContact NE2-CD1 3.46Å; H34-L38 WeakPolarHBondContact O-CG 3.46Å; H34-L38 PolarHBondContact O-N 2.89Å; I35-L38 PolarHBondContact O-N 2.85Å; V36-L38 PolarHBondContact O-N 3.48Å; L38-I40 VanDerWaalsContact C-N 3.26Å; L38-I40 PolarHBondContact O-N 3.36Å; L38-V45 HydrophobicContact CD2-CG2 4.42Å; L38-A48 HydrophobicContact CD2-CB 3.64Å; L38-A48 HydrophobicContact CG-CB 4.17Å
39	S	98.2	Very high	98.3	Very high	89 Å²	89	63.2 Å²	63.2	62%	0.622	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.1	-180	-56.9	0	0	0	0	113	I35 V36 L37	I35-S39 WeakPolarHBondContact O-CB 3.11Å; I35-S39 PolarHBondContact O-N 3.19Å; I35-S39 PolarHBondContact O-OG 2.95Å; V36-S39 WeakPolarHBondContact O-CB 3.37Å; V36-S39 PolarHBondContact O-N 2.93Å; V36-S39 VanDerWaalsContact O-N 3.14Å; L37-S39 PolarHBondContact O-N 3.14Å
40	I	98.2	Very high	98.3	Very high	58 Å²	58	61.6 Å²	61.6	30%	0.297	35%	0.347	S	S	.	.			trans	-82.3	116.5	176.8	-62.4	174.1	0	0	0	108.8	L37 L38 F42 F43	L37-I40 HydrophobicContact CD2-CD1 4.3Å; L37-I40 PolarHBondContact O-N 3.33Å; L38-I40 VanDerWaalsContact C-N 3.26Å; L38-I40 PolarHBondContact O-N 3.36Å; I40-F42 PolarHBondContact O-N 3.32Å; I40-F43 HydrophobicContact CB-CB 4.35Å; I40-F43 HydrophobicContact CB-CD2 3.86Å; I40-F43 HydrophobicContact CB-CE2 4.32Å; I40-F43 HydrophobicContact CB-CG 4.04Å; I40-F43 HydrophobicContact CD1-CD2 3.83Å; I40-F43 HydrophobicContact CD1-CE2 3.51Å; I40-F43 HydrophobicContact CD1-CZ 4.19Å; I40-F43 HydrophobicContact CG1-CD2 4.38Å; I40-F43 HydrophobicContact CG1-CE2 4.48Å; I40-F43 HydrophobicContact CG2-CB 4.49Å; I40-F43 HydrophobicContact CG2-CD1 4.01Å; I40-F43 HydrophobicContact CG2-CD2 4.02Å; I40-F43 HydrophobicContact CG2-CE1 4.23Å; I40-F43 HydrophobicContact CG2-CE2 4.24Å; I40-F43 HydrophobicContact CG2-CG 3.91Å; I40-F43 HydrophobicContact CG2-CZ 4.34Å; I40-F43 PolarHBondContact O-N 2.87Å
41	P	96.7	Very high	98.3	Very high	113 Å²	113	62.7 Å²	62.7	73%	0.734	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.4	-168.3	24.7	-34.8	0	0	0	114.7
42	F	95.6	Very high	98.3	Very high	185 Å²	185	61.2 Å²	61.2	81%	0.811	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-0.8	-179.9	-47.7	-69.2	0	0	0	113.2	I40	I40-F42 PolarHBondContact O-N 3.32Å
43	F	98	Very high	98.3	Very high	77 Å²	77	55.9 Å²	55.9	34%	0.338	31%	0.308	S	S	.	.			trans	-96.5	125	178.3	-72.1	-0.5	0	0	0	110.6	L37 I40 V47 L51	L37-F43 HydrophobicContact CD2-CD2 4.26Å; L37-F43 HydrophobicContact CD2-CE2 3.86Å; I40-F43 HydrophobicContact CB-CB 4.35Å; I40-F43 HydrophobicContact CB-CD2 3.86Å; I40-F43 HydrophobicContact CB-CE2 4.32Å; I40-F43 HydrophobicContact CB-CG 4.04Å; I40-F43 HydrophobicContact CD1-CD2 3.83Å; I40-F43 HydrophobicContact CD1-CE2 3.51Å; I40-F43 HydrophobicContact CD1-CZ 4.19Å; I40-F43 HydrophobicContact CG1-CD2 4.38Å; I40-F43 HydrophobicContact CG1-CE2 4.48Å; I40-F43 HydrophobicContact CG2-CB 4.49Å; I40-F43 HydrophobicContact CG2-CD1 4.01Å; I40-F43 HydrophobicContact CG2-CD2 4.02Å; I40-F43 HydrophobicContact CG2-CE1 4.23Å; I40-F43 HydrophobicContact CG2-CE2 4.24Å; I40-F43 HydrophobicContact CG2-CG 3.91Å; I40-F43 HydrophobicContact CG2-CZ 4.34Å; I40-F43 PolarHBondContact O-N 2.87Å; F43-V47 HydrophobicContact CB-CG1 4.28Å; F43-V47 HydrophobicContact CD1-CG1 4.12Å; F43-V47 HydrophobicContact CD2-CG1 4.46Å; F43-V47 HydrophobicContact CG-CG1 4.04Å; F43-L51 HydrophobicContact CD2-CD1 3.76Å; F43-L51 HydrophobicContact CE1-CD1 4.36Å; F43-L51 HydrophobicContact CE2-CD1 3.25Å; F43-L51 HydrophobicContact CG-CD1 4.5Å; F43-L51 HydrophobicContact CZ-CD1 3.61Å
44	S	98.1	Very high	98.3	Very high	62 Å²	62	56.4 Å²	56.4	43%	0.434	31%	0.311	S	S	.	.			trans	-72.4	158.6	167.5	69.7	0	0	0	0	110.4	V47 A48	S44-V47 WeakPolarHBondContact O-CB 3.45Å; S44-V47 PolarHBondContact O-N 3.4Å; S44-V47 VanDerWaalsContact O-N 3.08Å; S44-V47 VanDerWaalsContact OG-CG2 3.27Å; S44-V47 WeakPolarHBondContact OG-CG2 3.35Å; S44-V47 PolarHBondContact OG-N 2.87Å; S44-A48 PolarHBondContact O-N 3.47Å
45	V	98.4	Very high	98.3	Very high	76 Å²	76	58.7 Å²	58.7	46%	0.461	32%	0.323	S	S	.	.	H	α-helix	trans	-53.9	-46.7	177	175	0	0	0	0	112.2	L38 V47 A48 W49	L38-V45 HydrophobicContact CD2-CG2 4.42Å; V45-V47 VanDerWaalsContact C-N 3.34Å; V45-V47 PolarHBondContact O-N 2.94Å; V45-A48 PolarHBondContact O-N 2.91Å; V45-W49 VanDerWaalsContact O-CD1 3.29Å; V45-W49 PolarHBondContact O-N 3.3Å; V45-W49 VanDerWaalsContact O-N 3.07Å
46	P	98.7	Very high	98.3	Very high	38 Å²	38	54.4 Å²	54.4	25%	0.247	30%	0.301	C	S	.	.	H	α-helix	trans	-58.6	-40.1	174.9	-27.9	37.5	0	0	0	114.3	T50 T117 H123	P46-T50 WeakPolarHBondContact O-CB 3.45Å; P46-T50 PolarHBondContact O-N 2.96Å; P46-T50 PolarHBondContact O-OG1 2.96Å; P46-T117 HydrophobicContact CB-CG2 3.89Å; P46-H123 WeakPolarHBondContact CB-NE2 3.45Å
47	V	98.5	Very high	98.4	Very high	48 Å²	48	50.6 Å²	50.6	29%	0.291	28%	0.278	S	S	.	.	H	α-helix	trans	-64.8	-47.1	177	168.6	0	0	0	0	110.4	F43 S44 V45 W49 T50 L51	F43-V47 HydrophobicContact CB-CG1 4.28Å; F43-V47 HydrophobicContact CD1-CG1 4.12Å; F43-V47 HydrophobicContact CD2-CG1 4.46Å; F43-V47 HydrophobicContact CG-CG1 4.04Å; S44-V47 WeakPolarHBondContact O-CB 3.45Å; S44-V47 PolarHBondContact O-N 3.4Å; S44-V47 VanDerWaalsContact O-N 3.08Å; S44-V47 VanDerWaalsContact OG-CG2 3.27Å; S44-V47 WeakPolarHBondContact OG-CG2 3.35Å; S44-V47 PolarHBondContact OG-N 2.87Å; V45-V47 VanDerWaalsContact C-N 3.34Å; V45-V47 PolarHBondContact O-N 2.94Å; V47-W49 VanDerWaalsContact C-N 3.35Å; V47-W49 PolarHBondContact O-N 3.46Å; V47-T50 PolarHBondContact O-N 2.83Å; V47-L51 HydrophobicContact CG1-CD1 3.72Å; V47-L51 HydrophobicContact CG1-CG 4.2Å; V47-L51 WeakPolarHBondContact O-CB 3.28Å; V47-L51 WeakPolarHBondContact O-CG 3.34Å; V47-L51 PolarHBondContact O-N 3.3Å
48	A	98.8	Very high	98.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-43.7	178.4	0	0	0	0	0	112.1	L37 L38 S44 V45 T52	L37-A48 HydrophobicContact CB-CB 4.25Å; L38-A48 HydrophobicContact CD2-CB 3.64Å; L38-A48 HydrophobicContact CG-CB 4.17Å; S44-A48 PolarHBondContact O-N 3.47Å; V45-A48 PolarHBondContact O-N 2.91Å; A48-T52 WeakPolarHBondContact O-CB 3.21Å; A48-T52 PolarHBondContact O-N 3.45Å; A48-T52 PolarHBondContact O-OG1 2.85Å
49	W	98.8	Very high	98.3	Very high	27 Å²	27	53.3 Å²	53.3	10%	0.102	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-43.4	175.8	-85.6	101.4	0	0	0	113.2	H34 V45 V47 T52 N53 L109 L112 A113 Y116 T117	H34-W49 AromaticContact CE1-CD1 3.79Å; H34-W49 AromaticContact CE1-CD2 3.46Å; H34-W49 VanDerWaalsContact CE1-CD2 3.46Å; H34-W49 AromaticContact CE1-CE2 3.37Å; H34-W49 AromaticContact CE1-CE3 3.97Å; H34-W49 AromaticContact CE1-CG 3.75Å; H34-W49 AromaticContact CE1-CZ2 3.83Å; H34-W49 AromaticContact CE1-NE1 3.57Å; H34-W49 AromaticContact NE2-CD2 3.91Å; H34-W49 AromaticContact NE2-CE2 3.33Å; H34-W49 VanDerWaalsContact NE2-CE2 3.33Å; H34-W49 AromaticContact NE2-CH2 3.96Å; H34-W49 AromaticContact NE2-CZ2 3.38Å; H34-W49 WeakPolarHBondContact NE2-CZ2 3.41Å; H34-W49 AromaticContact NE2-NE1 3.59Å; V45-W49 VanDerWaalsContact O-CD1 3.29Å; V45-W49 PolarHBondContact O-N 3.3Å; V45-W49 VanDerWaalsContact O-N 3.07Å; V47-W49 VanDerWaalsContact C-N 3.35Å; V47-W49 PolarHBondContact O-N 3.46Å; W49-T52 WeakPolarHBondContact O-CB 3.24Å; W49-T52 PolarHBondContact O-N 3.03Å; W49-N53 PolarHBondContact O-N 2.83Å; W49-L109 HydrophobicContact CE3-CD1 4.38Å; W49-L109 HydrophobicContact CZ3-CD1 3.96Å; W49-L112 HydrophobicContact CE3-CB 4.14Å; W49-L112 HydrophobicContact CH2-CB 3.77Å; W49-L112 HydrophobicContact CH2-CD1 4.13Å; W49-L112 HydrophobicContact CH2-CG 4.45Å; W49-L112 HydrophobicContact CZ3-CB 3.44Å; W49-L112 VanDerWaalsContact CZ3-CB 3.44Å; W49-L112 HydrophobicContact CZ3-CD1 4.17Å; W49-L112 HydrophobicContact CZ3-CG 4.42Å; W49-A113 HydrophobicContact CB-CB 4.24Å; W49-A113 HydrophobicContact CE3-CB 4.27Å; W49-Y116 AromaticContact CD1-CG 3.82Å; W49-Y116 AromaticContact CD2-CD2 3.95Å; W49-Y116 HydrophobicContact CD2-CD2 3.95Å; W49-Y116 HydrophobicContact CD2-CG 4.26Å; W49-Y116 AromaticContact CE2-CD2 3.25Å; W49-Y116 AromaticContact CE2-CE2 3.87Å; W49-Y116 AromaticContact CE2-CG 3.59Å; W49-Y116 HydrophobicContact CG-CG 4.39Å; W49-Y116 AromaticContact CH2-CD2 3.96Å; W49-Y116 HydrophobicContact CH2-CD2 3.96Å; W49-Y116 HydrophobicContact CH2-CE2 4.01Å; W49-Y116 AromaticContact CZ2-CD2 3.26Å; W49-Y116 HydrophobicContact CZ2-CD2 3.26Å; W49-Y116 AromaticContact CZ2-CE2 3.38Å; W49-Y116 HydrophobicContact CZ2-CE2 3.38Å; W49-Y116 HydrophobicContact CZ2-CG 4.01Å; W49-Y116 VanDerWaalsContact NE1-CB 3.33Å; W49-Y116 AromaticContact NE1-CD1 3.85Å; W49-Y116 AromaticContact NE1-CD2 3.49Å; W49-Y116 AromaticContact NE1-CG 3.27Å; W49-Y116 VanDerWaalsContact NE1-CG 3.27Å; W49-T117 HydrophobicContact CB-CG2 4.47Å
50	T	98.8	Very high	98.3	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.043	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-43.8	179	-61.8	0	0	0	0	111.5	P46 V47 T52 N53 I54 H123 L126 N127	P46-T50 WeakPolarHBondContact O-CB 3.45Å; P46-T50 PolarHBondContact O-N 2.96Å; P46-T50 PolarHBondContact O-OG1 2.96Å; V47-T50 PolarHBondContact O-N 2.83Å; T50-T52 VanDerWaalsContact C-N 3.33Å; T50-T52 PolarHBondContact O-N 3.36Å; T50-N53 PolarHBondContact O-N 2.91Å; T50-I54 HydrophobicContact CG2-CD1 3.79Å; T50-I54 HydrophobicContact CG2-CG1 4.46Å; T50-I54 WeakPolarHBondContact O-CG1 3.3Å; T50-I54 PolarHBondContact O-N 3.24Å; T50-H123 PolarHBondContact OG1-ND1 3.4Å; T50-L126 HydrophobicContact CG2-CB 4.23Å; T50-L126 HydrophobicContact CG2-CD1 4.35Å; T50-N127 PolarHBondContact OG1-ND2 3.43Å
51	L	98.8	Very high	98.3	Very high	49 Å²	49	51.2 Å²	51.2	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-39.6	174.5	-71.4	176.9	0	0	0	111.8	L37 F43 V47 N53 I54 I55	L37-L51 HydrophobicContact CD1-CB 3.98Å; L37-L51 HydrophobicContact CD2-CB 4.26Å; L37-L51 HydrophobicContact CD2-CD1 4.3Å; F43-L51 HydrophobicContact CD2-CD1 3.76Å; F43-L51 HydrophobicContact CE1-CD1 4.36Å; F43-L51 HydrophobicContact CE2-CD1 3.25Å; F43-L51 HydrophobicContact CG-CD1 4.5Å; F43-L51 HydrophobicContact CZ-CD1 3.61Å; V47-L51 HydrophobicContact CG1-CD1 3.72Å; V47-L51 HydrophobicContact CG1-CG 4.2Å; V47-L51 WeakPolarHBondContact O-CB 3.28Å; V47-L51 WeakPolarHBondContact O-CG 3.34Å; V47-L51 PolarHBondContact O-N 3.3Å; L51-N53 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 3.48Å; L51-I54 PolarHBondContact O-N 3.02Å; L51-I55 HydrophobicContact CB-CD1 4.36Å; L51-I55 VanDerWaalsContact O-CB 3.28Å; L51-I55 WeakPolarHBondContact O-CB 3.32Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.3Å; L51-I55 PolarHBondContact O-N 2.92Å
52	T	98.9	Very high	98.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.6	-50.1	174.9	-57.6	0	0	0	0	110.1	V30 L33 H34 L37 A48 W49 T50 H56 L109	V30-T52 HydrophobicContact CG1-CG2 4.4Å; L33-T52 HydrophobicContact CD2-CG2 4.43Å; H34-T52 HydrophobicContact CB-CG2 3.89Å; H34-T52 PolarHBondContact ND1-OG1 3.31Å; L37-T52 WeakPolarHBondContact CD1-OG1 3.45Å; A48-T52 WeakPolarHBondContact O-CB 3.21Å; A48-T52 PolarHBondContact O-N 3.45Å; A48-T52 PolarHBondContact O-OG1 2.85Å; W49-T52 WeakPolarHBondContact O-CB 3.24Å; W49-T52 PolarHBondContact O-N 3.03Å; T50-T52 VanDerWaalsContact C-N 3.33Å; T50-T52 PolarHBondContact O-N 3.36Å; T52-H56 WeakPolarHBondContact O-CB 3.47Å; T52-H56 PolarHBondContact O-N 2.97Å; T52-L109 HydrophobicContact CG2-CD1 4.03Å; T52-L109 HydrophobicContact CG2-CD2 4.35Å
53	N	98.8	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-41.5	-179.5	-171.4	44.9	0	0	0	112.6	W49 T50 L51 N57 L109 A113 N127	W49-N53 PolarHBondContact O-N 2.83Å; T50-N53 PolarHBondContact O-N 2.91Å; L51-N53 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 3.48Å; N53-N57 VanDerWaalsContact O-CB 3.31Å; N53-N57 WeakPolarHBondContact O-CB 3.43Å; N53-N57 PolarHBondContact O-N 3.46Å; N53-N57 PolarHBondContact O-ND2 3.33Å; N53-N57 PolarHBondContact OD1-ND2 2.99Å; N53-N57 VanDerWaalsContact OD1-ND2 3.15Å; N53-L109 HydrophobicContact CB-CD2 4.36Å; N53-L109 HydrophobicContact CB-CG 4.28Å; N53-A113 HydrophobicContact CB-CB 4.36Å; N53-N127 VanDerWaalsContact CB-OD1 3.3Å; N53-N127 WeakPolarHBondContact CB-OD1 3.41Å; N53-N127 PolarHBondContact ND2-O 3.06Å; N53-N127 PolarHBondContact ND2-OD1 3.4Å
54	I	98.8	Very high	98.4	Very high	56 Å²	56	41 Å²	41	29%	0.287	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-51.8	177.8	-68.7	171.4	0	0	0	111.7	T50 L51 H56 N57 L58 L126	T50-I54 HydrophobicContact CG2-CD1 3.79Å; T50-I54 HydrophobicContact CG2-CG1 4.46Å; T50-I54 WeakPolarHBondContact O-CG1 3.3Å; T50-I54 PolarHBondContact O-N 3.24Å; L51-I54 PolarHBondContact O-N 3.02Å; I54-H56 VanDerWaalsContact C-N 3.32Å; I54-H56 PolarHBondContact O-N 3.24Å; I54-N57 PolarHBondContact O-N 3.33Å; I54-L58 VanDerWaalsContact O-CB 3.3Å; I54-L58 WeakPolarHBondContact O-CB 3.44Å; I54-L58 PolarHBondContact O-N 3.39Å; I54-L126 HydrophobicContact CD1-CB 4.36Å
55	I	98.8	Very high	98.3	Very high	72 Å²	72	39 Å²	39	37%	0.369	21%	0.211	S	C	.	.	H	α-helix	trans	-62.7	-44	-179.1	-67.8	167.4	0	0	0	109.9	L33 L37 L51 L58 G59	L33-I55 HydrophobicContact CD1-CD1 4.36Å; L33-I55 HydrophobicContact CD1-CG2 4.01Å; L33-I55 HydrophobicContact CD2-CB 4.09Å; L33-I55 HydrophobicContact CD2-CG2 3.77Å; L37-I55 HydrophobicContact CD1-CD1 4.26Å; L37-I55 HydrophobicContact CD2-CD1 4.27Å; L51-I55 HydrophobicContact CB-CD1 4.36Å; L51-I55 VanDerWaalsContact O-CB 3.28Å; L51-I55 WeakPolarHBondContact O-CB 3.32Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.3Å; L51-I55 PolarHBondContact O-N 2.92Å; I55-L58 PolarHBondContact O-N 3.25Å; I55-G59 PolarHBondContact O-N 2.94Å
56	H	98.8	Very high	98.2	Very high	15 Å²	15	37.1 Å²	37.1	7%	0.069	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-54.1	174.2	171.2	-95.3	0	0	0	112	Y26 V30 T52 I54 L58 G59 M60 L109	Y26-H56 AromaticContact CE2-NE2 3.6Å; Y26-H56 AromaticContact CZ-NE2 3.36Å; Y26-H56 PolarHBondContact OH-CE1 3.33Å; Y26-H56 VanDerWaalsContact OH-CE1 3.24Å; Y26-H56 PolarHBondContact OH-NE2 3.36Å; V30-H56 VanDerWaalsContact CG2-CD2 3.46Å; V30-H56 WeakPolarHBondContact CG2-CD2 3.28Å; T52-H56 WeakPolarHBondContact O-CB 3.47Å; T52-H56 PolarHBondContact O-N 2.97Å; I54-H56 VanDerWaalsContact C-N 3.32Å; I54-H56 PolarHBondContact O-N 3.24Å; H56-L58 PolarHBondContact O-N 3.31Å; H56-G59 PolarHBondContact O-N 3.16Å; H56-M60 WeakPolarHBondContact O-CB 2.98Å; H56-M60 VanDerWaalsContact O-CG 3.28Å; H56-M60 WeakPolarHBondContact O-CG 3.27Å; H56-M60 PolarHBondContact O-N 2.97Å; H56-L109 HydrophobicContact CB-CD2 3.7Å
57	N	98.9	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-36.4	-176.9	-70.1	-19.3	0	0	0	111.8	N53 I54 M60 Y61 P106 S130 V134	N53-N57 VanDerWaalsContact O-CB 3.31Å; N53-N57 WeakPolarHBondContact O-CB 3.43Å; N53-N57 PolarHBondContact O-N 3.46Å; N53-N57 PolarHBondContact O-ND2 3.33Å; N53-N57 PolarHBondContact OD1-ND2 2.99Å; N53-N57 VanDerWaalsContact OD1-ND2 3.15Å; I54-N57 PolarHBondContact O-N 3.33Å; N57-M60 PolarHBondContact O-N 3.14Å; N57-Y61 WeakPolarHBondContact O-CB 3.32Å; N57-Y61 PolarHBondContact O-N 2.64Å; N57-P106 WeakPolarHBondContact OD1-CB 3.38Å; N57-S130 VanDerWaalsContact CB-OG 3.28Å; N57-S130 WeakPolarHBondContact CB-OG 3.27Å; N57-S130 PolarHBondContact ND2-OG 2.99Å; N57-V134 HydrophobicContact CB-CG1 3.81Å; N57-V134 HydrophobicContact CB-CG2 4.09Å; N57-V134 WeakPolarHBondContact O-CG1 3.48Å
58	L	98.6	Very high	97.7	Very high	108 Å²	108	38.6 Å²	38.6	57%	0.565	21%	0.209	S	C	*	.	H	α-helix	trans	-60.8	-48.5	172.8	178.9	61.5	0	0	0	111.3	I54 I55 H56 M60 Y61 V62	I54-L58 VanDerWaalsContact O-CB 3.3Å; I54-L58 WeakPolarHBondContact O-CB 3.44Å; I54-L58 PolarHBondContact O-N 3.39Å; I55-L58 PolarHBondContact O-N 3.25Å; H56-L58 PolarHBondContact O-N 3.31Å; L58-M60 VanDerWaalsContact C-N 3.32Å; L58-M60 PolarHBondContact O-N 3.19Å; L58-Y61 PolarHBondContact O-N 3.22Å; L58-V62 HydrophobicContact CD1-CG2 4.48Å; L58-V62 WeakPolarHBondContact O-CG2 3.41Å; L58-V62 PolarHBondContact O-N 3.15Å
59	G	98.3	Very high	97.4	Very high	40 Å²	40	38.9 Å²	38.9	41%	0.412	21%	0.211	S	C	.	.	H	α-helix	trans	-59.4	-43.8	176.2	0	0	0	0	0	112.1	I55 H56 V62 F63	I55-G59 PolarHBondContact O-N 2.94Å; H56-G59 PolarHBondContact O-N 3.16Å; G59-V62 PolarHBondContact O-N 2.9Å; G59-F63 WeakPolarHBondContact O-CB 3.3Å; G59-F63 PolarHBondContact O-N 2.92Å
60	M	98.1	Very high	96.8	Very high	15 Å²	15	37.7 Å²	37.7	7%	0.074	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-40.1	176.2	-72.5	-58.5	-77.7	0	0	112.8	Y26 H56 N57 L58 L64 F102 V134	Y26-M60 HydrophobicContact CD2-SD 4.42Å; Y26-M60 HydrophobicContact CE2-CE 3.95Å; Y26-M60 HydrophobicContact CE2-SD 3.65Å; H56-M60 WeakPolarHBondContact O-CB 2.98Å; H56-M60 VanDerWaalsContact O-CG 3.28Å; H56-M60 WeakPolarHBondContact O-CG 3.27Å; H56-M60 PolarHBondContact O-N 2.97Å; N57-M60 PolarHBondContact O-N 3.14Å; L58-M60 VanDerWaalsContact C-N 3.32Å; L58-M60 PolarHBondContact O-N 3.19Å; M60-L64 HydrophobicContact CE-CD1 3.39Å; M60-L64 HydrophobicContact CE-CG 4.15Å; M60-L64 WeakPolarHBondContact O-CB 3.23Å; M60-L64 WeakPolarHBondContact O-CG 3.33Å; M60-L64 PolarHBondContact O-N 3.32Å; M60-F102 HydrophobicContact CE-CB 4.17Å; M60-F102 HydrophobicContact CE-CD1 3.4Å; M60-F102 HydrophobicContact CE-CE1 4.13Å; M60-F102 HydrophobicContact CE-CG 4.11Å; M60-V134 HydrophobicContact CB-CG1 4.38Å
61	Y	98.2	Very high	95.8	Very high	87 Å²	87	42.4 Å²	42.4	34%	0.341	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-50.3	175.3	-177.4	-89.6	0	0	0	110.9	N57 L58 H65 A66 S133 P137	N57-Y61 WeakPolarHBondContact O-CB 3.32Å; N57-Y61 PolarHBondContact O-N 2.64Å; L58-Y61 PolarHBondContact O-N 3.22Å; Y61-H65 HydrophobicContact CD2-CB 4.25Å; Y61-H65 HydrophobicContact CE2-CB 4.24Å; Y61-H65 CarbonylContact O-C 3.56Å; Y61-H65 WeakPolarHBondContact O-CA 3.48Å; Y61-H65 WeakPolarHBondContact O-CB 3.37Å; Y61-H65 PolarHBondContact O-N 3.38Å; Y61-A66 PolarHBondContact O-N 3.43Å; Y61-A66 VanDerWaalsContact O-N 3.12Å; Y61-S133 WeakPolarHBondContact CD2-O 3.06Å; Y61-P137 HydrophobicContact CE2-CG 4.38Å
62	V	97.4	Very high	94.5	Very high	70 Å²	70	46.1 Å²	46.1	42%	0.424	25%	0.252	S	S	.	.	I	π-helix	trans	-59.1	-53.2	179.6	172.2	0	0	0	0	110.3	L58 G59 A66 V67	L58-V62 HydrophobicContact CD1-CG2 4.48Å; L58-V62 WeakPolarHBondContact O-CG2 3.41Å; L58-V62 PolarHBondContact O-N 3.15Å; G59-V62 PolarHBondContact O-N 2.9Å; V62-A66 WeakPolarHBondContact O-CA 3.13Å; V62-A66 VanDerWaalsContact O-CB 3.32Å; V62-A66 WeakPolarHBondContact O-CB 3.37Å; V62-A66 PolarHBondContact O-N 3.48Å; V62-A66 VanDerWaalsContact O-N 3.14Å; V62-V67 HydrophobicContact CG1-CG2 4.31Å; V62-V67 WeakPolarHBondContact O-CG2 3.36Å; V62-V67 PolarHBondContact O-N 3.04Å
63	F	96.1	Very high	92.9	Very high	89 Å²	89	49 Å²	49	39%	0.39	27%	0.265	S	S	.	.	I	π-helix	trans	-66.1	-43.2	-174.9	-178.5	-103.4	0	0	0	113.1	M17 G59 H85	M17-F63 HydrophobicContact CE-CE1 3.43Å; M17-F63 VanDerWaalsContact CE-CE1 3.43Å; M17-F63 HydrophobicContact CE-CZ 3.43Å; M17-F63 VanDerWaalsContact CE-CZ 3.43Å; G59-F63 WeakPolarHBondContact O-CB 3.3Å; G59-F63 PolarHBondContact O-N 2.92Å; F63-H85 AromaticContact CE1-CD2 3.53Å; F63-H85 AromaticContact CE1-NE2 3.88Å; F63-H85 AromaticContact CZ-CD2 3.83Å; F63-H85 AromaticContact CZ-NE2 3.85Å; F63-H85 WeakPolarHBondContact O-CB 3.48Å
64	L	97.1	Very high	91.1	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	30%	0.297	C	S	.	.	I	π-helix	trans	-90.4	-32.4	-173.5	-65.9	-175.6	0	0	0	114.2	M60 T84 W86 F102	M60-L64 HydrophobicContact CE-CD1 3.39Å; M60-L64 HydrophobicContact CE-CG 4.15Å; M60-L64 WeakPolarHBondContact O-CB 3.23Å; M60-L64 WeakPolarHBondContact O-CG 3.33Å; M60-L64 PolarHBondContact O-N 3.32Å; L64-T84 VanDerWaalsContact O-CB 3.22Å; L64-T84 WeakPolarHBondContact O-CB 3.47Å; L64-T84 PolarHBondContact O-OG1 3Å; L64-W86 HydrophobicContact CB-CB 4.16Å; L64-W86 HydrophobicContact CD1-CE3 3.94Å; L64-W86 HydrophobicContact CD1-CZ3 4.34Å; L64-W86 WeakPolarHBondContact O-CB 3.45Å; L64-W86 PolarHBondContact O-N 3.12Å; L64-F102 HydrophobicContact CD1-CB 4.39Å
65	H	96.7	Very high	89.8	Confident	21 Å²	21	57.9 Å²	57.9	10%	0.097	33%	0.325	C	S	.	.	I	π-helix	trans	-121.2	-15.2	-168	-59.2	-65.5	0	0	0	114.1	Y61 T84 W86 N151	Y61-H65 HydrophobicContact CD2-CB 4.25Å; Y61-H65 HydrophobicContact CE2-CB 4.24Å; Y61-H65 CarbonylContact O-C 3.56Å; Y61-H65 WeakPolarHBondContact O-CA 3.48Å; Y61-H65 WeakPolarHBondContact O-CB 3.37Å; Y61-H65 PolarHBondContact O-N 3.38Å; H65-T84 WeakPolarHBondContact O-CG2 3.46Å; H65-W86 AromaticContact CE1-CD1 3.63Å; H65-W86 AromaticContact CE1-CD2 3.96Å; H65-W86 AromaticContact CE1-CG 3.46Å; H65-W86 VanDerWaalsContact CE1-CG 3.46Å; H65-W86 AromaticContact ND1-CG 3.99Å; H65-N151 PolarHBondContact O-ND2 2.91Å; H65-N151 VanDerWaalsContact O-ND2 3.12Å
66	A	95.6	Very high	88.6	Confident	36 Å²	36	60.4 Å²	60.4	30%	0.298	34%	0.339	S	S	.	.	I	π-helix	trans	-100.7	-49.4	174.6	0	0	0	0	0	112.4	Y61 V62 K68 N151	Y61-A66 PolarHBondContact O-N 3.43Å; Y61-A66 VanDerWaalsContact O-N 3.12Å; V62-A66 WeakPolarHBondContact O-CA 3.13Å; V62-A66 VanDerWaalsContact O-CB 3.32Å; V62-A66 WeakPolarHBondContact O-CB 3.37Å; V62-A66 PolarHBondContact O-N 3.48Å; V62-A66 VanDerWaalsContact O-N 3.14Å; A66-K68 PolarHBondContact O-N 3.18Å; A66-N151 PolarHBondContact O-ND2 3.08Å
67	V	94.5	Very high	87.7	Confident	77 Å²	77	62 Å²	62	47%	0.467	35%	0.347	S	S	.	.			trans	-69.5	131.4	-177.7	176.9	0	0	0	0	110.9	V62 T84 H85	V62-V67 HydrophobicContact CG1-CG2 4.31Å; V62-V67 WeakPolarHBondContact O-CG2 3.36Å; V62-V67 PolarHBondContact O-N 3.04Å; V67-T84 VanDerWaalsContact O-CA 3.25Å; V67-T84 WeakPolarHBondContact O-CA 3.46Å; V67-H85 PolarHBondContact O-N 3Å
68	K	93.2	Very high	87.2	Confident	41 Å²	41	64.1 Å²	64.1	18%	0.178	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-121.8	166.3	177.7	-64.4	-176.8	-67.6	-172.6	0	111.7	A66 R81 L83 T84 N151 Y153	A66-K68 PolarHBondContact O-N 3.18Å; K68-R81 WeakPolarHBondContact CB-O 3.28Å; K68-L83 VanDerWaalsContact CA-O 3.26Å; K68-L83 WeakPolarHBondContact CA-O 3.45Å; K68-L83 WeakPolarHBondContact CB-O 3.09Å; K68-T84 HydrophobicContact CG-CG2 3.96Å; K68-N151 WeakPolarHBondContact CE-OD1 3.31Å; K68-N151 PolarHBondContact NZ-O 2.96Å; K68-N151 PolarHBondContact NZ-OD1 2.92Å; K68-Y153 PolarHBondContact NZ-O 3.09Å; K68-Y153 PolarHBondContact NZ-OXT 3.08Å
69	G	91.9	Very high	86.7	Confident	5 Å²	5	67.8 Å²	67.8	5%	0.052	38%	0.38	C	S	.	.	S	Bend	trans	82.2	-169.2	-179.1	0	0	0	0	0	113.3	N13 A80 L83 Q88	N13-G69 PolarHBondContact ND2-O 3.02Å; G69-A80 VanDerWaalsContact CA-O 3.27Å; G69-A80 WeakPolarHBondContact CA-O 3.36Å; G69-A80 PolarHBondContact N-O 3.29Å; G69-A80 VanDerWaalsContact N-O 3.14Å; G69-L83 PolarHBondContact N-O 3.01Å; G69-Q88 PolarHBondContact O-NE2 2.91Å
70	T	87.5	Confident	86.3	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.018	37%	0.366	C	S	.	.			trans	-129.7	128.5	179.9	74	0	0	0	0	108.4	N11 F72 E73 Q77 A80	N11-T70 HydrophobicContact CB-CG2 4.2Å; N11-T70 WeakPolarHBondContact ND2-CG2 3.38Å; N11-T70 WeakPolarHBondContact OD1-CG2 3.31Å; T70-F72 PolarHBondContact O-N 3.38Å; T70-E73 WeakPolarHBondContact OG1-CB 3.3Å; T70-Q77 PolarHBondContact O-NE2 3.24Å; T70-A80 HydrophobicContact CG2-CB 3.73Å
71	P	76	Confident	86	Confident	106 Å²	106	72.9 Å²	72.9	69%	0.688	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.3	179.8	31.3	-35	0	0	0	112.8
72	F	72.3	Confident	85.7	Confident	126 Å²	126	72.3 Å²	72.3	55%	0.553	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-15.9	-169.2	-51.7	-70.7	0	0	0	113.8	P12 T70	P12-F72 HydrophobicContact CB-CD2 3.72Å; P12-F72 HydrophobicContact CB-CE2 3.79Å; P12-F72 HydrophobicContact CB-CG 4.38Å; P12-F72 HydrophobicContact CB-CZ 4.5Å; P12-F72 HydrophobicContact CG-CB 4.1Å; P12-F72 HydrophobicContact CG-CD2 3.62Å; P12-F72 HydrophobicContact CG-CE2 4.18Å; P12-F72 HydrophobicContact CG-CG 3.86Å; T70-F72 PolarHBondContact O-N 3.38Å
73	E	66	Low	85.6	Confident	60 Å²	60	72 Å²	72	28%	0.28	39%	0.387	S	S	.	.	S	Bend	trans	-106.5	158	-179.5	-68.3	-174.1	-119.1	0	0	112.8	V10 T70	V10-E73 VanDerWaalsContact CG1-CD 3.46Å; V10-E73 WeakPolarHBondContact CG1-OE1 3.42Å; V10-E73 WeakPolarHBondContact CG1-OE2 3.32Å; V10-E73 WeakPolarHBondContact O-CG 3.44Å; T70-E73 WeakPolarHBondContact OG1-CB 3.3Å
74	T	61.1	Low	85.6	Confident	110 Å²	110	68 Å²	68	68%	0.675	37%	0.37	S	S	*	.			trans	-67.6	179.7	-179.6	61	0	0	0	0	111.3	D76	T74-D76 PolarHBondContact O-N 2.98Å
75	P	69.8	Low	85.5	Confident	134 Å²	134	68.5 Å²	68.5	87%	0.87	37%	0.372	S	S	*	.	S	Bend	trans	-54	-21.9	-169.6	-27.8	34.8	0	0	0	116.3
76	D	73.6	Confident	85.5	Confident	125 Å²	125	67.8 Å²	67.8	67%	0.668	37%	0.369	S	S	*	.			trans	-97.7	84.7	176.5	-168.9	7	0	0	0	111.8	T74 G78	T74-D76 PolarHBondContact O-N 2.98Å; D76-G78 PolarHBondContact O-N 2.8Å; D76-G78 PolarHBondContact OD1-N 3.43Å
77	Q	81.5	Confident	85.6	Confident	47 Å²	47	66.7 Å²	66.7	22%	0.22	36%	0.357	C	S	.	.			trans	-79.2	0.6	172.8	-66.8	176.1	-17.7	0	0	113.1	T70 K79 A80 R81	T70-Q77 PolarHBondContact O-NE2 3.24Å; Q77-K79 PolarHBondContact O-N 2.89Å; Q77-A80 HydrophobicContact CB-CB 4.49Å; Q77-A80 WeakPolarHBondContact O-CB 3.42Å; Q77-A80 PolarHBondContact O-N 2.94Å; Q77-R81 HydrophobicContact CB-CB 4.05Å
78	G	86.9	Confident	85.6	Confident	46 Å²	46	63.3 Å²	63.3	47%	0.474	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	47.6	-125.9	-174.2	0	0	0	0	0	113.1	D76 A80	D76-G78 PolarHBondContact O-N 2.8Å; D76-G78 PolarHBondContact OD1-N 3.43Å; G78-A80 VanDerWaalsContact C-N 3.3Å; G78-A80 PolarHBondContact O-N 3.35Å
79	K	88.1	Confident	85.8	Confident	185 Å²	185	61.3 Å²	61.3	80%	0.804	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-67	-27.4	179.1	-66.7	-175.8	-178.5	178.3	0	113.3	Q77 R81 L82	Q77-K79 PolarHBondContact O-N 2.89Å; K79-R81 PolarHBondContact O-N 3.24Å; K79-L82 PolarHBondContact O-N 2.99Å; K79-L82 VanDerWaalsContact O-N 3.14Å
80	A	90.4	Very high	86	Confident	12 Å²	12	61.7 Å²	61.7	10%	0.099	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-64.6	-26.1	-175.5	0	0	0	0	0	112.4	G69 T70 Q77 G78 L82 L83 Q88	G69-A80 VanDerWaalsContact CA-O 3.27Å; G69-A80 WeakPolarHBondContact CA-O 3.36Å; G69-A80 PolarHBondContact N-O 3.29Å; G69-A80 VanDerWaalsContact N-O 3.14Å; T70-A80 HydrophobicContact CG2-CB 3.73Å; Q77-A80 HydrophobicContact CB-CB 4.49Å; Q77-A80 WeakPolarHBondContact O-CB 3.42Å; Q77-A80 PolarHBondContact O-N 2.94Å; G78-A80 VanDerWaalsContact C-N 3.3Å; G78-A80 PolarHBondContact O-N 3.35Å; A80-L82 PolarHBondContact O-N 3.31Å; A80-L82 VanDerWaalsContact O-N 3.13Å; A80-L83 PolarHBondContact O-N 3.4Å; A80-L83 VanDerWaalsContact O-N 3.11Å; A80-Q88 PolarHBondContact O-NE2 3.47Å
81	R	91.2	Very high	86.3	Confident	149 Å²	149	67.6 Å²	67.6	56%	0.562	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55.1	-30	174.5	-164.1	175.6	78.7	-162.2	3.6	113.5	K68 Q77 K79	K68-R81 WeakPolarHBondContact CB-O 3.28Å; Q77-R81 HydrophobicContact CB-CB 4.05Å; K79-R81 PolarHBondContact O-N 3.24Å
82	L	92.9	Very high	87.3	Confident	75 Å²	75	63.5 Å²	63.5	39%	0.393	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-97.6	-7.2	-176.1	-59.3	178.9	0	0	0	113.4	K79 A80 R146	K79-L82 PolarHBondContact O-N 2.99Å; K79-L82 VanDerWaalsContact O-N 3.14Å; A80-L82 PolarHBondContact O-N 3.31Å; A80-L82 VanDerWaalsContact O-N 3.13Å; L82-R146 PolarHBondContact O-NH2 3.43Å
83	L	94.9	Very high	88.4	Confident	65 Å²	65	61.5 Å²	61.5	34%	0.34	33%	0.326	S	S	.	.	S	Bend	trans	-101.9	135.6	-175.4	-61.8	178.3	0	0	0	110.6	K68 G69 A80 E87 Q88	K68-L83 VanDerWaalsContact CA-O 3.26Å; K68-L83 WeakPolarHBondContact CA-O 3.45Å; K68-L83 WeakPolarHBondContact CB-O 3.09Å; G69-L83 PolarHBondContact N-O 3.01Å; A80-L83 PolarHBondContact O-N 3.4Å; A80-L83 VanDerWaalsContact O-N 3.11Å; L83-E87 WeakPolarHBondContact CA-OE2 3.39Å; L83-E87 HydrophobicContact CB-CB 4.15Å; L83-E87 HydrophobicContact CD2-CB 4.21Å; L83-Q88 HydrophobicContact CB-CG 3.62Å; L83-Q88 HydrophobicContact CD1-CG 4.25Å; L83-Q88 PolarHBondContact O-NE2 3.46Å
84	T	96	Very high	89.9	Confident	5 Å²	5	61 Å²	61	3%	0.031	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-73.6	164.6	172.3	78.7	0	0	0	0	110.8	L64 H65 V67 K68 W86 E87 Q88	L64-T84 VanDerWaalsContact O-CB 3.22Å; L64-T84 WeakPolarHBondContact O-CB 3.47Å; L64-T84 PolarHBondContact O-OG1 3Å; H65-T84 WeakPolarHBondContact O-CG2 3.46Å; V67-T84 VanDerWaalsContact O-CA 3.25Å; V67-T84 WeakPolarHBondContact O-CA 3.46Å; K68-T84 HydrophobicContact CG-CG2 3.96Å; T84-W86 PolarHBondContact O-N 2.81Å; T84-W86 PolarHBondContact OG1-N 3.22Å; T84-E87 PolarHBondContact N-OE2 3.17Å; T84-E87 PolarHBondContact O-N 3.43Å; T84-E87 PolarHBondContact OG1-N 3.05Å; T84-Q88 WeakPolarHBondContact O-CG 3.33Å; T84-Q88 PolarHBondContact O-N 3.31Å
85	H	95.2	Very high	91.6	Very high	11 Å²	11	62.4 Å²	62.4	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-37	177.4	-161.7	78.5	0	0	0	112.5	N13 M17 F63 V67 E87 Q88 L89	N13-H85 VanDerWaalsContact CB-CE1 3.45Å; N13-H85 WeakPolarHBondContact CB-CE1 3.35Å; N13-H85 PolarHBondContact ND2-ND1 3.26Å; N13-H85 PolarHBondContact OD1-CE1 3Å; N13-H85 PolarHBondContact OD1-ND1 3.41Å; M17-H85 WeakPolarHBondContact CE-NE2 3.15Å; M17-H85 WeakPolarHBondContact CG-NE2 3.22Å; F63-H85 AromaticContact CE1-CD2 3.53Å; F63-H85 AromaticContact CE1-NE2 3.88Å; F63-H85 AromaticContact CZ-CD2 3.83Å; F63-H85 AromaticContact CZ-NE2 3.85Å; F63-H85 WeakPolarHBondContact O-CB 3.48Å; V67-H85 PolarHBondContact O-N 3Å; H85-E87 VanDerWaalsContact C-N 3.3Å; H85-E87 PolarHBondContact O-N 3.04Å; H85-Q88 PolarHBondContact O-N 3.2Å; H85-L89 WeakPolarHBondContact O-CB 3.47Å; H85-L89 PolarHBondContact O-N 3.31Å
86	W	97.4	Very high	92.9	Very high	5 Å²	5	57.4 Å²	57.4	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-34.4	173.1	-175.6	-107.7	0	0	0	113.5	L64 H65 T84 L89 R99 F102 K138	L64-W86 HydrophobicContact CB-CB 4.16Å; L64-W86 HydrophobicContact CD1-CE3 3.94Å; L64-W86 HydrophobicContact CD1-CZ3 4.34Å; L64-W86 WeakPolarHBondContact O-CB 3.45Å; L64-W86 PolarHBondContact O-N 3.12Å; H65-W86 AromaticContact CE1-CD1 3.63Å; H65-W86 AromaticContact CE1-CD2 3.96Å; H65-W86 AromaticContact CE1-CG 3.46Å; H65-W86 VanDerWaalsContact CE1-CG 3.46Å; H65-W86 AromaticContact ND1-CG 3.99Å; T84-W86 PolarHBondContact O-N 2.81Å; T84-W86 PolarHBondContact OG1-N 3.22Å; W86-L89 HydrophobicContact CE3-CD2 4.07Å; W86-L89 HydrophobicContact CZ3-CD2 4.06Å; W86-R99 HydrophobicContact CH2-CB 3.78Å; W86-R99 HydrophobicContact CH2-CG 3.86Å; W86-R99 HydrophobicContact CZ2-CB 4.31Å; W86-R99 HydrophobicContact CZ2-CG 4.17Å; W86-R99 HydrophobicContact CZ3-CB 4.38Å; W86-R99 HydrophobicContact CZ3-CG 4.2Å; W86-R99 VanDerWaalsContact NE1-NH1 3.1Å; W86-R99 PolarHBondContact O-NH1 3.09Å; W86-R99 PolarHBondContact O-NH2 3.07Å; W86-F102 HydrophobicContact CZ3-CB 4.05Å; W86-K138 HydrophobicContact CD2-CG 4.11Å; W86-K138 HydrophobicContact CE3-CG 4.37Å; W86-K138 HydrophobicContact CH2-CB 4.13Å; W86-K138 HydrophobicContact CH2-CD 3.85Å; W86-K138 HydrophobicContact CH2-CG 3.81Å; W86-K138 HydrophobicContact CZ2-CB 3.53Å; W86-K138 HydrophobicContact CZ2-CD 4.08Å; W86-K138 HydrophobicContact CZ2-CG 3.52Å; W86-K138 HydrophobicContact CZ3-CD 4.15Å; W86-K138 HydrophobicContact CZ3-CG 4.23Å
87	E	96.8	Very high	94.1	Very high	13 Å²	13	55.2 Å²	55.2	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-76.2	-36.5	-179.5	-68.4	172.5	149.3	0	0	111.4	L83 T84 H85 G144 R146	L83-E87 WeakPolarHBondContact CA-OE2 3.39Å; L83-E87 HydrophobicContact CB-CB 4.15Å; L83-E87 HydrophobicContact CD2-CB 4.21Å; T84-E87 PolarHBondContact N-OE2 3.17Å; T84-E87 PolarHBondContact O-N 3.43Å; T84-E87 PolarHBondContact OG1-N 3.05Å; H85-E87 VanDerWaalsContact C-N 3.3Å; H85-E87 PolarHBondContact O-N 3.04Å; E87-G144 WeakPolarHBondContact OE1-CA 3.3Å; E87-G144 PolarHBondContact OE1-N 2.52Å; E87-R146 IonicContact OE1-CZ 3.42Å; E87-R146 IonicContact OE1-NH1 3.26Å; E87-R146 PolarHBondContact OE1-NH1 3.16Å; E87-R146 IonicContact OE1-NH2 3.41Å; E87-R146 PolarHBondContact OE1-NH2 2.9Å; E87-R146 IonicContact OE2-CZ 3.98Å; E87-R146 IonicContact OE2-NH1 2.71Å; E87-R146 IonicContact OE2-NH2 3.61Å; E87-R146 PolarHBondContact OE2-NH2 2.89Å
88	Q	95.6	Very high	94.8	Very high	6 Å²	6	53 Å²	53	3%	0.028	27%	0.272	C	S	.	.	H	α-helix	trans	-71.6	-31.1	176.4	-62.7	176.7	45.1	0	0	112.7	N11 N13 T14 G69 A80 L83 T84 H85 D90 Y91	N11-Q88 PolarHBondContact ND2-OE1 3.47Å; N11-Q88 PolarHBondContact OD1-OE1 2.81Å; N13-Q88 HydrophobicContact CB-CB 4.21Å; N13-Q88 VanDerWaalsContact CB-OE1 3.31Å; N13-Q88 PolarHBondContact ND2-OE1 2.95Å; T14-Q88 WeakPolarHBondContact CA-O 3.44Å; G69-Q88 PolarHBondContact O-NE2 2.91Å; A80-Q88 PolarHBondContact O-NE2 3.47Å; L83-Q88 HydrophobicContact CB-CG 3.62Å; L83-Q88 HydrophobicContact CD1-CG 4.25Å; L83-Q88 PolarHBondContact O-NE2 3.46Å; T84-Q88 WeakPolarHBondContact O-CG 3.33Å; T84-Q88 PolarHBondContact O-N 3.31Å; H85-Q88 PolarHBondContact O-N 3.2Å; Q88-D90 PolarHBondContact O-N 2.88Å; Q88-Y91 PolarHBondContact O-N 3.12Å
89	L	96.1	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-51.2	127.7	-176.4	179.3	59	0	0	0	112.2	M17 H85 W86 Y91 G92 R99 F102	M17-L89 HydrophobicContact CB-CD1 3.45Å; M17-L89 VanDerWaalsContact CB-CD1 3.45Å; M17-L89 HydrophobicContact CG-CD1 4.08Å; H85-L89 WeakPolarHBondContact O-CB 3.47Å; H85-L89 PolarHBondContact O-N 3.31Å; W86-L89 HydrophobicContact CE3-CD2 4.07Å; W86-L89 HydrophobicContact CZ3-CD2 4.06Å; L89-Y91 PolarHBondContact O-N 2.99Å; L89-G92 PolarHBondContact O-N 2.93Å; L89-R99 HydrophobicContact CD2-CG 3.64Å; L89-R99 HydrophobicContact CG-CG 4.11Å; L89-R99 PolarHBondContact O-NH2 3.48Å; L89-F102 HydrophobicContact CD2-CD2 4.49Å
90	D	96.1	Very high	95.8	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.064	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	51.2	37	-179.9	-56.8	-39.5	0	0	0	113.4	T14 N18 Q88 G92 V93 T96	T14-D90 VanDerWaalsContact O-CA 3.29Å; T14-D90 WeakPolarHBondContact O-CA 3.35Å; T14-D90 PolarHBondContact O-N 3.36Å; N18-D90 PolarHBondContact ND2-OD1 2.9Å; N18-D90 PolarHBondContact OD1-OD1 2.83Å; Q88-D90 PolarHBondContact O-N 2.88Å; D90-G92 PolarHBondContact O-N 3.14Å; D90-G92 VanDerWaalsContact O-N 3.15Å; D90-V93 VanDerWaalsContact O-CB 3.27Å; D90-V93 WeakPolarHBondContact O-CB 3.33Å; D90-V93 VanDerWaalsContact O-CG2 3.31Å; D90-V93 WeakPolarHBondContact O-CG2 3.37Å; D90-V93 PolarHBondContact O-N 2.84Å; D90-T96 HydrophobicContact CB-CG2 3.76Å; D90-T96 WeakPolarHBondContact OD2-CB 3.15Å; D90-T96 PolarHBondContact OD2-OG1 3.36Å
91	Y	94.9	Very high	96.2	Very high	128 Å²	128	48.6 Å²	48.6	50%	0.502	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	57.2	27.8	-178.2	-48.1	-82.6	0	0	0	113.7	E9 T14 R15 Q88 L89 V93	E9-Y91 WeakPolarHBondContact OE1-CE1 3.04Å; E9-Y91 PolarHBondContact OE1-OH 2.66Å; E9-Y91 PolarHBondContact OE2-OH 3.5Å; T14-Y91 HydrophobicContact CG2-CD1 3.74Å; T14-Y91 HydrophobicContact CG2-CE1 3.74Å; R15-Y91 HydrophobicContact CG-CE2 4.3Å; Q88-Y91 PolarHBondContact O-N 3.12Å; L89-Y91 PolarHBondContact O-N 2.99Å; Y91-V93 PolarHBondContact O-N 2.92Å
92	G	95.7	Very high	96.5	Very high	19 Å²	19	41.9 Å²	41.9	20%	0.196	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	77.3	0.9	-176	0	0	0	0	0	114.5	L89 D90 Q94	L89-G92 PolarHBondContact O-N 2.93Å; D90-G92 PolarHBondContact O-N 3.14Å; D90-G92 VanDerWaalsContact O-N 3.15Å; G92-Q94 PolarHBondContact O-N 3.12Å; G92-Q94 PolarHBondContact O-NE2 3Å
93	V	97	Very high	96.8	Very high	85 Å²	85	40.2 Å²	40.2	52%	0.515	21%	0.205	S	C	.	.			trans	-63.2	125.9	174.7	179.3	0	0	0	0	108.8	D90 Y91 T96 R99	D90-V93 VanDerWaalsContact O-CB 3.27Å; D90-V93 WeakPolarHBondContact O-CB 3.33Å; D90-V93 VanDerWaalsContact O-CG2 3.31Å; D90-V93 WeakPolarHBondContact O-CG2 3.37Å; D90-V93 PolarHBondContact O-N 2.84Å; Y91-V93 PolarHBondContact O-N 2.92Å; V93-T96 HydrophobicContact CB-CG2 3.94Å; V93-T96 HydrophobicContact CG1-CG2 3.71Å; V93-T96 WeakPolarHBondContact O-CG2 3.2Å; V93-R99 WeakPolarHBondContact O-CD 3.33Å; V93-R99 PolarHBondContact O-NE 3.31Å
94	Q	97	Very high	96.9	Very high	48 Å²	48	41.1 Å²	41.1	22%	0.224	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	159.9	-177	-57.2	-59.4	-41.5	0	0	111.5	G92 T96 P140 H143	G92-Q94 PolarHBondContact O-N 3.12Å; G92-Q94 PolarHBondContact O-NE2 3Å; Q94-T96 PolarHBondContact O-N 2.74Å; Q94-P140 HydrophobicContact CB-CG 4.42Å; Q94-P140 HydrophobicContact CG-CB 4.08Å; Q94-P140 HydrophobicContact CG-CG 4.42Å; Q94-H143 PolarHBondContact NE2-ND1 3.13Å
95	F	96.4	Very high	97.1	Very high	140 Å²	140	42 Å²	42	61%	0.614	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	22.8	174.4	-53.5	-65.7	0	0	0	116.4	K100 P140	F95-K100 WeakPolarHBondContact O-CE 3.35Å; F95-K100 PolarHBondContact O-NZ 3.11Å; F95-K100 VanDerWaalsContact O-NZ 3.13Å; F95-P140 HydrophobicContact CE1-CG 4.02Å; F95-P140 HydrophobicContact CE2-CG 3.97Å; F95-P140 HydrophobicContact CZ-CG 3.55Å
96	T	97.8	Very high	97.2	Very high	30 Å²	30	41.4 Å²	41.4	18%	0.184	21%	0.213	C	C	.	.			trans	-66.5	163.8	170.2	60.2	0	0	0	0	111.4	D90 V93 Q94 S98 R99 K100	D90-T96 HydrophobicContact CB-CG2 3.76Å; D90-T96 WeakPolarHBondContact OD2-CB 3.15Å; D90-T96 PolarHBondContact OD2-OG1 3.36Å; V93-T96 HydrophobicContact CB-CG2 3.94Å; V93-T96 HydrophobicContact CG1-CG2 3.71Å; V93-T96 WeakPolarHBondContact O-CG2 3.2Å; Q94-T96 PolarHBondContact O-N 2.74Å; T96-S98 VanDerWaalsContact C-N 3.28Å; T96-S98 PolarHBondContact O-N 3.41Å; T96-R99 PolarHBondContact O-N 2.9Å; T96-R99 WeakPolarHBondContact OG1-CB 3.32Å; T96-R99 WeakPolarHBondContact OG1-CG 3.38Å; T96-R99 PolarHBondContact OG1-N 2.86Å; T96-K100 WeakPolarHBondContact O-CB 3.12Å; T96-K100 VanDerWaalsContact O-CG 3.32Å; T96-K100 WeakPolarHBondContact O-CG 3.44Å; T96-K100 PolarHBondContact O-N 3.32Å
97	S	97.8	Very high	97.3	Very high	78 Å²	78	43.4 Å²	43.4	55%	0.545	22%	0.224	S	C	.	.	H	α-helix	trans	-57.4	-40.6	179.3	-58.8	0	0	0	0	112.5	K100 F101	S97-K100 PolarHBondContact O-N 2.98Å; S97-F101 WeakPolarHBondContact O-CB 3.49Å; S97-F101 PolarHBondContact O-N 3.26Å
98	S	96.9	Very high	97.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.1	-44	-179.9	-55.6	0	0	0	0	112.2	M17 N18 T96 K100 F101 F102	M17-S98 PolarHBondContact O-OG 2.87Å; N18-S98 VanDerWaalsContact CA-OG 3.31Å; N18-S98 WeakPolarHBondContact CA-OG 3.45Å; N18-S98 PolarHBondContact OD1-OG 3.3Å; T96-S98 VanDerWaalsContact C-N 3.28Å; T96-S98 PolarHBondContact O-N 3.41Å; S98-K100 VanDerWaalsContact C-N 3.32Å; S98-K100 PolarHBondContact O-N 2.71Å; S98-F101 WeakPolarHBondContact O-CB 3.21Å; S98-F101 PolarHBondContact O-N 2.67Å; S98-F102 WeakPolarHBondContact O-CD2 3.4Å; S98-F102 PolarHBondContact O-N 2.88Å
99	R	98	Very high	97.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-42	172.9	-73.3	-179.6	179.3	-83.5	-3.9	111.8	W86 L89 V93 T96 F102 T103	W86-R99 HydrophobicContact CH2-CB 3.78Å; W86-R99 HydrophobicContact CH2-CG 3.86Å; W86-R99 HydrophobicContact CZ2-CB 4.31Å; W86-R99 HydrophobicContact CZ2-CG 4.17Å; W86-R99 HydrophobicContact CZ3-CB 4.38Å; W86-R99 HydrophobicContact CZ3-CG 4.2Å; W86-R99 VanDerWaalsContact NE1-NH1 3.1Å; W86-R99 PolarHBondContact O-NH1 3.09Å; W86-R99 PolarHBondContact O-NH2 3.07Å; L89-R99 HydrophobicContact CD2-CG 3.64Å; L89-R99 HydrophobicContact CG-CG 4.11Å; L89-R99 PolarHBondContact O-NH2 3.48Å; V93-R99 WeakPolarHBondContact O-CD 3.33Å; V93-R99 PolarHBondContact O-NE 3.31Å; T96-R99 PolarHBondContact O-N 2.9Å; T96-R99 WeakPolarHBondContact OG1-CB 3.32Å; T96-R99 WeakPolarHBondContact OG1-CG 3.38Å; T96-R99 PolarHBondContact OG1-N 2.86Å; R99-F102 PolarHBondContact O-N 2.9Å; R99-T103 VanDerWaalsContact O-CB 3.31Å; R99-T103 WeakPolarHBondContact O-CB 3.45Å; R99-T103 PolarHBondContact O-N 3.44Å; R99-T103 PolarHBondContact O-OG1 2.69Å
100	K	98.4	Very high	97.7	Very high	107 Å²	107	49 Å²	49	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-45.8	174.8	-76	172.8	178.7	162.9	0	111.1	F95 T96 S97 S98 T103 I104	F95-K100 WeakPolarHBondContact O-CE 3.35Å; F95-K100 PolarHBondContact O-NZ 3.11Å; F95-K100 VanDerWaalsContact O-NZ 3.13Å; T96-K100 WeakPolarHBondContact O-CB 3.12Å; T96-K100 VanDerWaalsContact O-CG 3.32Å; T96-K100 WeakPolarHBondContact O-CG 3.44Å; T96-K100 PolarHBondContact O-N 3.32Å; S97-K100 PolarHBondContact O-N 2.98Å; S98-K100 VanDerWaalsContact C-N 3.32Å; S98-K100 PolarHBondContact O-N 2.71Å; K100-T103 PolarHBondContact O-N 3.46Å; K100-I104 HydrophobicContact CB-CD1 4.24Å; K100-I104 VanDerWaalsContact O-CB 3.31Å; K100-I104 WeakPolarHBondContact O-CB 3.49Å; K100-I104 VanDerWaalsContact O-CG1 3.23Å; K100-I104 WeakPolarHBondContact O-CG1 3.12Å; K100-I104 PolarHBondContact O-N 2.98Å
101	F	98.2	Very high	97.8	Very high	40 Å²	40	54.7 Å²	54.7	18%	0.175	28%	0.276	C	S	.	.	H	α-helix	trans	-53.7	-58.2	175.7	178.3	-96.9	0	0	0	111.3	W23 Y26 S97 S98 T103 I104 S105	W23-F101 HydrophobicContact CB-CE1 4.07Å; W23-F101 HydrophobicContact CB-CE2 3.95Å; W23-F101 HydrophobicContact CB-CZ 3.68Å; W23-F101 HydrophobicContact CD2-CB 4.38Å; W23-F101 HydrophobicContact CD2-CD1 4.24Å; W23-F101 AromaticContact CD2-CD2 3.86Å; W23-F101 HydrophobicContact CD2-CD2 3.86Å; W23-F101 HydrophobicContact CD2-CE2 4.15Å; W23-F101 AromaticContact CD2-CG 3.89Å; W23-F101 HydrophobicContact CD2-CG 3.89Å; W23-F101 HydrophobicContact CD2-CZ 4.47Å; W23-F101 HydrophobicContact CE3-CB 4.4Å; W23-F101 AromaticContact CE3-CD2 3.56Å; W23-F101 HydrophobicContact CE3-CD2 3.56Å; W23-F101 AromaticContact CE3-CE2 3.96Å; W23-F101 HydrophobicContact CE3-CE2 3.96Å; W23-F101 AromaticContact CE3-CG 4Å; W23-F101 HydrophobicContact CE3-CG 4Å; W23-F101 HydrophobicContact CG-CD1 4.14Å; W23-F101 HydrophobicContact CG-CD2 4.27Å; W23-F101 HydrophobicContact CG-CE1 4.03Å; W23-F101 HydrophobicContact CG-CE2 4.16Å; W23-F101 HydrophobicContact CG-CG 4.25Å; W23-F101 HydrophobicContact CG-CZ 4.03Å; W23-F101 HydrophobicContact CH2-CB 4.13Å; W23-F101 HydrophobicContact CZ2-CB 4.15Å; W23-F101 HydrophobicContact CZ3-CB 4.22Å; W23-F101 AromaticContact CZ3-CD2 3.96Å; W23-F101 HydrophobicContact CZ3-CD2 3.96Å; W23-F101 HydrophobicContact CZ3-CG 4.29Å; Y26-F101 AromaticContact CD1-CE1 3.52Å; Y26-F101 HydrophobicContact CD1-CE1 3.52Å; Y26-F101 AromaticContact CD1-CZ 3.53Å; Y26-F101 HydrophobicContact CD1-CZ 3.53Å; Y26-F101 AromaticContact CE1-CE1 3.85Å; Y26-F101 HydrophobicContact CE1-CE1 3.85Å; Y26-F101 AromaticContact CE1-CZ 3.94Å; Y26-F101 HydrophobicContact CE1-CZ 3.94Å; Y26-F101 HydrophobicContact CG-CE1 4.04Å; Y26-F101 HydrophobicContact CG-CZ 4.36Å; S97-F101 WeakPolarHBondContact O-CB 3.49Å; S97-F101 PolarHBondContact O-N 3.26Å; S98-F101 WeakPolarHBondContact O-CB 3.21Å; S98-F101 PolarHBondContact O-N 2.67Å; F101-T103 PolarHBondContact O-N 2.84Å; F101-T103 VanDerWaalsContact O-N 3.14Å; F101-I104 PolarHBondContact O-N 3.14Å; F101-I104 VanDerWaalsContact O-N 3.17Å; F101-S105 WeakPolarHBondContact O-CB 3.44Å; F101-S105 PolarHBondContact O-N 3.2Å; F101-S105 PolarHBondContact O-OG 3.5Å
102	F	97.9	Very high	98	Very high	8 Å²	8	52 Å²	52	4%	0.035	27%	0.27	C	S	.	.	H	α-helix	trans	-69.7	-11.8	-179	-68.6	-63.4	0	0	0	115	M17 Y26 M60 L64 W86 L89 S98 R99 P106 K138	M17-F102 HydrophobicContact CB-CE2 3.92Å; M17-F102 HydrophobicContact CG-CE2 4.1Å; M17-F102 HydrophobicContact CG-CZ 4.47Å; M17-F102 HydrophobicContact SD-CE2 3.81Å; M17-F102 HydrophobicContact SD-CZ 3.58Å; M17-F102 VanDerWaalsContact SD-CZ 3.58Å; Y26-F102 HydrophobicContact CD2-CD1 4.41Å; Y26-F102 AromaticContact CD2-CE1 3.83Å; Y26-F102 HydrophobicContact CD2-CE1 3.83Å; Y26-F102 HydrophobicContact CE2-CD1 4.13Å; Y26-F102 HydrophobicContact CE2-CE1 4Å; Y26-F102 HydrophobicContact CG-CE1 4.19Å; M60-F102 HydrophobicContact CE-CB 4.17Å; M60-F102 HydrophobicContact CE-CD1 3.4Å; M60-F102 HydrophobicContact CE-CE1 4.13Å; M60-F102 HydrophobicContact CE-CG 4.11Å; L64-F102 HydrophobicContact CD1-CB 4.39Å; W86-F102 HydrophobicContact CZ3-CB 4.05Å; L89-F102 HydrophobicContact CD2-CD2 4.49Å; S98-F102 WeakPolarHBondContact O-CD2 3.4Å; S98-F102 PolarHBondContact O-N 2.88Å; R99-F102 PolarHBondContact O-N 2.9Å; F102-P106 WeakPolarHBondContact O-CD 3.32Å; F102-K138 PolarHBondContact O-NZ 3.31Å
103	T	98.4	Very high	98.1	Very high	40 Å²	40	51.1 Å²	51.1	25%	0.245	26%	0.26	C	S	.	.	H	α-helix	trans	-87.1	-42.8	171	-56.6	0	0	0	0	111.1	R99 K100 F101 P106 I107 L135	R99-T103 VanDerWaalsContact O-CB 3.31Å; R99-T103 WeakPolarHBondContact O-CB 3.45Å; R99-T103 PolarHBondContact O-N 3.44Å; R99-T103 PolarHBondContact O-OG1 2.69Å; K100-T103 PolarHBondContact O-N 3.46Å; F101-T103 PolarHBondContact O-N 2.84Å; F101-T103 VanDerWaalsContact O-N 3.14Å; T103-P106 WeakPolarHBondContact O-CD 3.47Å; T103-P106 WeakPolarHBondContact O-CG 3.27Å; T103-I107 WeakPolarHBondContact O-CD1 3.34Å; T103-I107 WeakPolarHBondContact O-CG1 3.4Å; T103-L135 HydrophobicContact CG2-CD2 3.99Å
104	I	98.5	Very high	98.2	Very high	85 Å²	85	47.3 Å²	47.3	44%	0.436	24%	0.238	S	C	.	.	H	α-helix	trans	-78.1	-37.6	-175.5	-67.5	167	0	0	0	111.6	K100 F101 I107 I108	K100-I104 HydrophobicContact CB-CD1 4.24Å; K100-I104 VanDerWaalsContact O-CB 3.31Å; K100-I104 WeakPolarHBondContact O-CB 3.49Å; K100-I104 VanDerWaalsContact O-CG1 3.23Å; K100-I104 WeakPolarHBondContact O-CG1 3.12Å; K100-I104 PolarHBondContact O-N 2.98Å; F101-I104 PolarHBondContact O-N 3.14Å; F101-I104 VanDerWaalsContact O-N 3.17Å; I104-I107 WeakPolarHBondContact O-CA 3.4Å; I104-I107 WeakPolarHBondContact O-CB 3.43Å; I104-I107 PolarHBondContact O-N 2.83Å; I104-I108 HydrophobicContact CG2-CD1 3.69Å; I104-I108 HydrophobicContact CG2-CG1 4.01Å; I104-I108 PolarHBondContact O-N 3.11Å
105	S	98.5	Very high	98.3	Very high	22 Å²	22	51 Å²	51	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-54.2	-49.6	-178.5	-63.1	0	0	0	0	114.7	Y26 F101 I107 I108 L109	Y26-S105 WeakPolarHBondContact OH-CB 3.45Å; F101-S105 WeakPolarHBondContact O-CB 3.44Å; F101-S105 PolarHBondContact O-N 3.2Å; F101-S105 PolarHBondContact O-OG 3.5Å; S105-I107 VanDerWaalsContact C-N 3.26Å; S105-I107 PolarHBondContact O-N 3.17Å; S105-I108 PolarHBondContact O-N 3.13Å; S105-L109 PolarHBondContact O-N 3.14Å
106	P	98.6	Very high	98.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-27.7	174.9	24.9	-34.2	0	0	0	113.2	N57 F102 T103 L109 Y110 L131 V134 L135	N57-P106 WeakPolarHBondContact OD1-CB 3.38Å; F102-P106 WeakPolarHBondContact O-CD 3.32Å; T103-P106 WeakPolarHBondContact O-CD 3.47Å; T103-P106 WeakPolarHBondContact O-CG 3.27Å; P106-L109 PolarHBondContact O-N 3.03Å; P106-Y110 VanDerWaalsContact O-CB 3.3Å; P106-Y110 WeakPolarHBondContact O-CB 3.31Å; P106-Y110 PolarHBondContact O-N 2.83Å; P106-L131 HydrophobicContact CB-CD1 3.92Å; P106-V134 HydrophobicContact CB-CG2 4.3Å; P106-L135 HydrophobicContact CG-CD2 4.38Å
107	I	98.8	Very high	98.4	Very high	47 Å²	47	48.2 Å²	48.2	24%	0.241	24%	0.236	C	C	.	.	H	α-helix	trans	-68.4	-43.5	175.5	-62.5	169.7	0	0	0	110.6	T103 I104 S105 Y110 F111 L131 L135	T103-I107 WeakPolarHBondContact O-CD1 3.34Å; T103-I107 WeakPolarHBondContact O-CG1 3.4Å; I104-I107 WeakPolarHBondContact O-CA 3.4Å; I104-I107 WeakPolarHBondContact O-CB 3.43Å; I104-I107 PolarHBondContact O-N 2.83Å; S105-I107 VanDerWaalsContact C-N 3.26Å; S105-I107 PolarHBondContact O-N 3.17Å; I107-Y110 WeakPolarHBondContact O-CB 3.23Å; I107-Y110 PolarHBondContact O-N 3.32Å; I107-F111 HydrophobicContact CG2-CD2 3.96Å; I107-F111 HydrophobicContact CG2-CE2 3.53Å; I107-F111 HydrophobicContact CG2-CZ 4.25Å; I107-F111 WeakPolarHBondContact O-CD2 3.31Å; I107-F111 PolarHBondContact O-N 2.93Å; I107-L131 HydrophobicContact CG1-CD1 4.22Å; I107-L135 HydrophobicContact CD1-CD1 4.04Å; I107-L135 HydrophobicContact CD1-CD2 4.17Å; I107-L135 HydrophobicContact CG1-CD1 3.84Å; I107-L135 HydrophobicContact CG1-CD2 4.12Å
108	I	98.7	Very high	98.4	Very high	93 Å²	93	53 Å²	53	48%	0.477	25%	0.248	S	C	.	.	H	α-helix	trans	-60.9	-47.2	174.4	-67.1	170.3	0	0	0	110	I104 S105 Y110 F111 L112	I104-I108 HydrophobicContact CG2-CD1 3.69Å; I104-I108 HydrophobicContact CG2-CG1 4.01Å; I104-I108 PolarHBondContact O-N 3.11Å; S105-I108 PolarHBondContact O-N 3.13Å; I108-Y110 VanDerWaalsContact C-N 3.29Å; I108-Y110 PolarHBondContact O-N 3.25Å; I108-F111 PolarHBondContact O-N 3.03Å; I108-L112 HydrophobicContact CG2-CD1 4.1Å; I108-L112 HydrophobicContact CG2-CG 4.49Å; I108-L112 WeakPolarHBondContact O-CG 3.16Å; I108-L112 PolarHBondContact O-N 2.95Å
109	L	98.7	Very high	98.4	Very high	13 Å²	13	60.3 Å²	60.3	7%	0.068	28%	0.276	C	S	.	.	H	α-helix	trans	-60.1	-40.2	178.4	-175.3	60.1	0	0	0	111.9	V30 W49 T52 N53 H56 S105 P106 L112 A113	V30-L109 HydrophobicContact CG1-CD1 4.32Å; V30-L109 HydrophobicContact CG1-CD2 4.14Å; W49-L109 HydrophobicContact CE3-CD1 4.38Å; W49-L109 HydrophobicContact CZ3-CD1 3.96Å; T52-L109 HydrophobicContact CG2-CD1 4.03Å; T52-L109 HydrophobicContact CG2-CD2 4.35Å; N53-L109 HydrophobicContact CB-CD2 4.36Å; N53-L109 HydrophobicContact CB-CG 4.28Å; H56-L109 HydrophobicContact CB-CD2 3.7Å; S105-L109 PolarHBondContact O-N 3.14Å; P106-L109 PolarHBondContact O-N 3.03Å; L109-L112 PolarHBondContact O-N 3.25Å; L109-A113 WeakPolarHBondContact O-CB 3.43Å; L109-A113 PolarHBondContact O-N 2.95Å
110	Y	98.8	Very high	98.4	Very high	29 Å²	29	63 Å²	63	11%	0.114	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-44	174.1	168.4	-96.7	0	0	0	112.9	P106 I107 I108 A113 S114 F124 N127 T128 L131	P106-Y110 VanDerWaalsContact O-CB 3.3Å; P106-Y110 WeakPolarHBondContact O-CB 3.31Å; P106-Y110 PolarHBondContact O-N 2.83Å; I107-Y110 WeakPolarHBondContact O-CB 3.23Å; I107-Y110 PolarHBondContact O-N 3.32Å; I108-Y110 VanDerWaalsContact C-N 3.29Å; I108-Y110 PolarHBondContact O-N 3.25Å; Y110-A113 PolarHBondContact O-N 3.21Å; Y110-S114 WeakPolarHBondContact O-CB 3.22Å; Y110-S114 PolarHBondContact O-N 3.47Å; Y110-S114 PolarHBondContact O-OG 3.5Å; Y110-F124 WeakPolarHBondContact OH-CE2 3.43Å; Y110-N127 HydrophobicContact CD2-CB 3.88Å; Y110-N127 HydrophobicContact CE2-CB 3.94Å; Y110-T128 PolarHBondContact OH-OG1 2.6Å; Y110-T128 VanDerWaalsContact OH-OG1 3.04Å; Y110-L131 HydrophobicContact CD1-CD2 3.9Å; Y110-L131 HydrophobicContact CD2-CB 4.23Å; Y110-L131 HydrophobicContact CD2-CD2 3.95Å; Y110-L131 HydrophobicContact CE1-CD2 4.39Å; Y110-L131 HydrophobicContact CE2-CD2 4.45Å; Y110-L131 HydrophobicContact CG-CD2 3.66Å
111	F	98.7	Very high	98.4	Very high	132 Å²	132	62.1 Å²	62.1	58%	0.579	30%	0.296	S	S	*	.	H	α-helix	trans	-66	-42	177.4	-74.1	-46.9	0	0	0	112.2	I107 I108 S114 F115	I107-F111 HydrophobicContact CG2-CD2 3.96Å; I107-F111 HydrophobicContact CG2-CE2 3.53Å; I107-F111 HydrophobicContact CG2-CZ 4.25Å; I107-F111 WeakPolarHBondContact O-CD2 3.31Å; I107-F111 PolarHBondContact O-N 2.93Å; I108-F111 PolarHBondContact O-N 3.03Å; F111-S114 PolarHBondContact O-N 3.21Å; F111-F115 WeakPolarHBondContact O-CB 3.25Å; F111-F115 PolarHBondContact O-N 3.06Å
112	L	98.7	Very high	98.4	Very high	72 Å²	72	64.6 Å²	64.6	38%	0.377	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-48	173.9	-67.1	171.7	0	0	0	110.9	W49 I108 L109 S114 F115 Y116	W49-L112 HydrophobicContact CE3-CB 4.14Å; W49-L112 HydrophobicContact CH2-CB 3.77Å; W49-L112 HydrophobicContact CH2-CD1 4.13Å; W49-L112 HydrophobicContact CH2-CG 4.45Å; W49-L112 HydrophobicContact CZ3-CB 3.44Å; W49-L112 VanDerWaalsContact CZ3-CB 3.44Å; W49-L112 HydrophobicContact CZ3-CD1 4.17Å; W49-L112 HydrophobicContact CZ3-CG 4.42Å; I108-L112 HydrophobicContact CG2-CD1 4.1Å; I108-L112 HydrophobicContact CG2-CG 4.49Å; I108-L112 WeakPolarHBondContact O-CG 3.16Å; I108-L112 PolarHBondContact O-N 2.95Å; L109-L112 PolarHBondContact O-N 3.25Å; L112-S114 VanDerWaalsContact C-N 3.31Å; L112-S114 PolarHBondContact O-N 3.39Å; L112-F115 PolarHBondContact O-N 2.86Å; L112-Y116 HydrophobicContact CD2-CE2 4.46Å; L112-Y116 VanDerWaalsContact O-CD2 3.24Å; L112-Y116 WeakPolarHBondContact O-CD2 3.4Å; L112-Y116 PolarHBondContact O-N 2.75Å
113	A	98.7	Very high	98.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-42.4	177	0	0	0	0	0	111.9	W49 N53 L109 Y110 F115 Y116 T117	W49-A113 HydrophobicContact CB-CB 4.24Å; W49-A113 HydrophobicContact CE3-CB 4.27Å; N53-A113 HydrophobicContact CB-CB 4.36Å; L109-A113 WeakPolarHBondContact O-CB 3.43Å; L109-A113 PolarHBondContact O-N 2.95Å; Y110-A113 PolarHBondContact O-N 3.21Å; A113-F115 PolarHBondContact O-N 3.3Å; A113-Y116 PolarHBondContact O-N 3.39Å; A113-T117 VanDerWaalsContact O-CB 3.26Å; A113-T117 WeakPolarHBondContact O-CB 3.26Å; A113-T117 WeakPolarHBondContact O-CG2 3.18Å; A113-T117 PolarHBondContact O-N 2.97Å; A113-T117 PolarHBondContact O-OG1 3.19Å
114	S	98.5	Very high	98.5	Very high	6 Å²	6	68.2 Å²	68.2	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-42.8	176.9	-59.3	0	0	0	0	112.1	Y110 F111 L112 T117 K118 Y119	Y110-S114 WeakPolarHBondContact O-CB 3.22Å; Y110-S114 PolarHBondContact O-N 3.47Å; Y110-S114 PolarHBondContact O-OG 3.5Å; F111-S114 PolarHBondContact O-N 3.21Å; L112-S114 VanDerWaalsContact C-N 3.31Å; L112-S114 PolarHBondContact O-N 3.39Å; S114-T117 WeakPolarHBondContact CA-OG1 3.37Å; S114-T117 PolarHBondContact O-OG1 3.25Å; S114-T117 VanDerWaalsContact O-OG1 3.14Å; S114-K118 PolarHBondContact O-N 3.26Å; S114-Y119 PolarHBondContact O-N 2.85Å
115	F	98.4	Very high	98.5	Very high	126 Å²	126	69.5 Å²	69.5	55%	0.553	33%	0.334	S	S	*	.	H	α-helix	trans	-63.8	-50	177.2	-179.9	-101.5	0	0	0	112	F111 L112 A113 T117 K118	F111-F115 WeakPolarHBondContact O-CB 3.25Å; F111-F115 PolarHBondContact O-N 3.06Å; L112-F115 PolarHBondContact O-N 2.86Å; A113-F115 PolarHBondContact O-N 3.3Å; F115-T117 VanDerWaalsContact C-N 3.31Å; F115-T117 PolarHBondContact O-N 3.09Å; F115-K118 PolarHBondContact O-N 3.23Å
116	Y	98.5	Very high	98.5	Very high	107 Å²	107	72.4 Å²	72.4	42%	0.42	35%	0.348	S	S	.	.	H	α-helix	trans	-76.1	-16.1	-177.7	-75.2	-74.2	0	0	0	114.4	W49 L112 A113 K118	W49-Y116 AromaticContact CD1-CG 3.82Å; W49-Y116 AromaticContact CD2-CD2 3.95Å; W49-Y116 HydrophobicContact CD2-CD2 3.95Å; W49-Y116 HydrophobicContact CD2-CG 4.26Å; W49-Y116 AromaticContact CE2-CD2 3.25Å; W49-Y116 AromaticContact CE2-CE2 3.87Å; W49-Y116 AromaticContact CE2-CG 3.59Å; W49-Y116 HydrophobicContact CG-CG 4.39Å; W49-Y116 AromaticContact CH2-CD2 3.96Å; W49-Y116 HydrophobicContact CH2-CD2 3.96Å; W49-Y116 HydrophobicContact CH2-CE2 4.01Å; W49-Y116 AromaticContact CZ2-CD2 3.26Å; W49-Y116 HydrophobicContact CZ2-CD2 3.26Å; W49-Y116 AromaticContact CZ2-CE2 3.38Å; W49-Y116 HydrophobicContact CZ2-CE2 3.38Å; W49-Y116 HydrophobicContact CZ2-CG 4.01Å; W49-Y116 VanDerWaalsContact NE1-CB 3.33Å; W49-Y116 AromaticContact NE1-CD1 3.85Å; W49-Y116 AromaticContact NE1-CD2 3.49Å; W49-Y116 AromaticContact NE1-CG 3.27Å; W49-Y116 VanDerWaalsContact NE1-CG 3.27Å; L112-Y116 HydrophobicContact CD2-CE2 4.46Å; L112-Y116 VanDerWaalsContact O-CD2 3.24Å; L112-Y116 WeakPolarHBondContact O-CD2 3.4Å; L112-Y116 PolarHBondContact O-N 2.75Å; A113-Y116 PolarHBondContact O-N 3.39Å; Y116-K118 VanDerWaalsContact C-N 3.28Å
117	T	98.5	Very high	98.5	Very high	4 Å²	4	72.4 Å²	72.4	3%	0.025	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.3	168.6	58.2	0	0	0	0	112.4	P46 W49 A113 S114 F115 Y119 D120 H123	P46-T117 HydrophobicContact CB-CG2 3.89Å; W49-T117 HydrophobicContact CB-CG2 4.47Å; A113-T117 VanDerWaalsContact O-CB 3.26Å; A113-T117 WeakPolarHBondContact O-CB 3.26Å; A113-T117 WeakPolarHBondContact O-CG2 3.18Å; A113-T117 PolarHBondContact O-N 2.97Å; A113-T117 PolarHBondContact O-OG1 3.19Å; S114-T117 WeakPolarHBondContact CA-OG1 3.37Å; S114-T117 PolarHBondContact O-OG1 3.25Å; S114-T117 VanDerWaalsContact O-OG1 3.14Å; F115-T117 VanDerWaalsContact C-N 3.31Å; F115-T117 PolarHBondContact O-N 3.09Å; T117-Y119 PolarHBondContact O-N 3.29Å; T117-D120 WeakPolarHBondContact O-CB 3.42Å; T117-D120 PolarHBondContact O-N 2.7Å; T117-H123 HydrophobicContact CG2-CB 3.65Å
118	K	98	Very high	98.5	Very high	179 Å²	179	71.9 Å²	71.9	78%	0.778	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	32.8	-179.4	-56.1	179.6	-179.4	178.4	0	112.9	S114 F115 Y116 D120	S114-K118 PolarHBondContact O-N 3.26Å; F115-K118 PolarHBondContact O-N 3.23Å; Y116-K118 VanDerWaalsContact C-N 3.28Å; K118-D120 PolarHBondContact O-N 2.73Å
119	Y	97.2	Very high	98.5	Very high	152 Å²	152	70.4 Å²	70.4	60%	0.596	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	27.4	-177.8	-46.3	-82.6	0	0	0	113.7	S114 T117	S114-Y119 PolarHBondContact O-N 2.85Å; T117-Y119 PolarHBondContact O-N 3.29Å
120	D	98.4	Very high	98.5	Very high	62 Å²	62	70.5 Å²	70.5	33%	0.332	35%	0.35	S	S	.	.			trans	-53.9	128.9	172	174.3	-92.7	0	0	0	110.2	T117 K118 T122 H123 F124	T117-D120 WeakPolarHBondContact O-CB 3.42Å; T117-D120 PolarHBondContact O-N 2.7Å; K118-D120 PolarHBondContact O-N 2.73Å; D120-T122 VanDerWaalsContact C-N 3.27Å; D120-T122 PolarHBondContact O-N 2.9Å; D120-T122 WeakPolarHBondContact OD1-CA 3.44Å; D120-T122 VanDerWaalsContact OD1-CB 3.23Å; D120-T122 WeakPolarHBondContact OD1-CB 3.45Å; D120-T122 PolarHBondContact OD1-N 3.44Å; D120-H123 HydrophobicContact CB-CB 4.37Å; D120-H123 PolarHBondContact O-N 3.46Å; D120-H123 IonicContact OD1-CD2 2.67Å; D120-H123 PolarHBondContact OD1-CD2 2.97Å; D120-H123 IonicContact OD1-CG 3.64Å; D120-H123 PolarHBondContact OD1-N 3.4Å; D120-H123 VanDerWaalsContact OD1-N 3.14Å; D120-F124 WeakPolarHBondContact O-CB 3.43Å; D120-F124 PolarHBondContact O-N 3.22Å
121	P	98.5	Very high	98.5	Very high	88 Å²	88	69.9 Å²	69.9	57%	0.571	35%	0.348	S	S	*	.	H	α-helix	trans	-58.5	-34.5	-174.3	-28.1	35.5	0	0	0	114.5	F124 I125	P121-F124 PolarHBondContact O-N 3Å; P121-I125 VanDerWaalsContact O-CG1 3.29Å; P121-I125 WeakPolarHBondContact O-CG1 3.29Å; P121-I125 PolarHBondContact O-N 2.82Å
122	T	98.4	Very high	98.5	Very high	92 Å²	92	67.6 Å²	67.6	56%	0.564	34%	0.342	S	S	*	.	H	α-helix	trans	-68.4	-50.2	-178.9	-53.3	0	0	0	0	110	D120 F124 I125 L126	D120-T122 VanDerWaalsContact C-N 3.27Å; D120-T122 PolarHBondContact O-N 2.9Å; D120-T122 WeakPolarHBondContact OD1-CA 3.44Å; D120-T122 VanDerWaalsContact OD1-CB 3.23Å; D120-T122 WeakPolarHBondContact OD1-CB 3.45Å; D120-T122 PolarHBondContact OD1-N 3.44Å; T122-F124 VanDerWaalsContact C-N 3.31Å; T122-F124 PolarHBondContact O-N 3.14Å; T122-I125 PolarHBondContact O-N 3.45Å; T122-L126 HydrophobicContact CG2-CD1 4.38Å; T122-L126 WeakPolarHBondContact O-CG 3.12Å; T122-L126 PolarHBondContact O-N 2.95Å
123	H	98.7	Very high	98.4	Very high	33 Å²	33	66.6 Å²	66.6	15%	0.153	34%	0.341	C	S	.	.	H	α-helix	trans	-62.3	-40.2	175.9	-71.9	-67.9	0	0	0	111.7	P46 T50 T117 D120 L126 N127	P46-H123 WeakPolarHBondContact CB-NE2 3.45Å; T50-H123 PolarHBondContact OG1-ND1 3.4Å; T117-H123 HydrophobicContact CG2-CB 3.65Å; D120-H123 HydrophobicContact CB-CB 4.37Å; D120-H123 PolarHBondContact O-N 3.46Å; D120-H123 IonicContact OD1-CD2 2.67Å; D120-H123 PolarHBondContact OD1-CD2 2.97Å; D120-H123 IonicContact OD1-CG 3.64Å; D120-H123 PolarHBondContact OD1-N 3.4Å; D120-H123 VanDerWaalsContact OD1-N 3.14Å; H123-L126 PolarHBondContact O-N 2.92Å; H123-N127 VanDerWaalsContact O-CB 3.27Å; H123-N127 WeakPolarHBondContact O-CB 3.4Å; H123-N127 VanDerWaalsContact O-CG 3.29Å; H123-N127 PolarHBondContact O-N 3.37Å; H123-N127 PolarHBondContact O-ND2 3.33Å
124	F	98.5	Very high	98.4	Very high	90 Å²	90	66.6 Å²	66.6	40%	0.395	34%	0.341	S	S	.	.	H	α-helix	trans	-56.8	-54.6	177	179.9	-97.3	0	0	0	111.5	Y110 D120 P121 T122 L126 N127 T128	Y110-F124 WeakPolarHBondContact OH-CE2 3.43Å; D120-F124 WeakPolarHBondContact O-CB 3.43Å; D120-F124 PolarHBondContact O-N 3.22Å; P121-F124 PolarHBondContact O-N 3Å; T122-F124 VanDerWaalsContact C-N 3.31Å; T122-F124 PolarHBondContact O-N 3.14Å; F124-L126 VanDerWaalsContact C-N 3.34Å; F124-L126 PolarHBondContact O-N 3.18Å; F124-N127 PolarHBondContact O-N 2.98Å; F124-T128 WeakPolarHBondContact O-CB 3.32Å; F124-T128 PolarHBondContact O-N 3.24Å; F124-T128 PolarHBondContact O-OG1 3.28Å
125	I	98.6	Very high	98.4	Very high	113 Å²	113	68 Å²	68	58%	0.579	35%	0.348	S	S	*	.	H	α-helix	trans	-57.1	-46.9	-178.9	-69.4	165.7	0	0	0	111.4	P121 T122 T128 A129	P121-I125 VanDerWaalsContact O-CG1 3.29Å; P121-I125 WeakPolarHBondContact O-CG1 3.29Å; P121-I125 PolarHBondContact O-N 2.82Å; T122-I125 PolarHBondContact O-N 3.45Å; I125-T128 PolarHBondContact O-N 2.9Å; I125-A129 WeakPolarHBondContact O-CB 3.4Å; I125-A129 PolarHBondContact O-N 3.06Å
126	L	98.7	Very high	98.4	Very high	83 Å²	83	65.5 Å²	65.5	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-44.7	179.9	-68.1	174.4	0	0	0	112	T50 I54 T122 H123 F124 S130	T50-L126 HydrophobicContact CG2-CB 4.23Å; T50-L126 HydrophobicContact CG2-CD1 4.35Å; I54-L126 HydrophobicContact CD1-CB 4.36Å; T122-L126 HydrophobicContact CG2-CD1 4.38Å; T122-L126 WeakPolarHBondContact O-CG 3.12Å; T122-L126 PolarHBondContact O-N 2.95Å; H123-L126 PolarHBondContact O-N 2.92Å; F124-L126 VanDerWaalsContact C-N 3.34Å; F124-L126 PolarHBondContact O-N 3.18Å; L126-S130 WeakPolarHBondContact O-CB 3.17Å; L126-S130 PolarHBondContact O-N 3.5Å
127	N	98.7	Very high	98.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-67.4	-38.9	179.1	-76.6	-53.5	0	0	0	112.1	T50 N53 Y110 H123 F124 L131	T50-N127 PolarHBondContact OG1-ND2 3.43Å; N53-N127 VanDerWaalsContact CB-OD1 3.3Å; N53-N127 WeakPolarHBondContact CB-OD1 3.41Å; N53-N127 PolarHBondContact ND2-O 3.06Å; N53-N127 PolarHBondContact ND2-OD1 3.4Å; Y110-N127 HydrophobicContact CD2-CB 3.88Å; Y110-N127 HydrophobicContact CE2-CB 3.94Å; H123-N127 VanDerWaalsContact O-CB 3.27Å; H123-N127 WeakPolarHBondContact O-CB 3.4Å; H123-N127 VanDerWaalsContact O-CG 3.29Å; H123-N127 PolarHBondContact O-N 3.37Å; H123-N127 PolarHBondContact O-ND2 3.33Å; F124-N127 PolarHBondContact O-N 2.98Å; N127-L131 WeakPolarHBondContact O-CB 3.34Å; N127-L131 PolarHBondContact O-N 3.31Å
128	T	98.7	Very high	98.3	Very high	35 Å²	35	62.3 Å²	62.3	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-67.7	-47.7	177.4	-55.2	0	0	0	0	111	Y110 F124 I125 S130 L131 L132	Y110-T128 PolarHBondContact OH-OG1 2.6Å; Y110-T128 VanDerWaalsContact OH-OG1 3.04Å; F124-T128 WeakPolarHBondContact O-CB 3.32Å; F124-T128 PolarHBondContact O-N 3.24Å; F124-T128 PolarHBondContact O-OG1 3.28Å; I125-T128 PolarHBondContact O-N 2.9Å; T128-S130 VanDerWaalsContact C-N 3.31Å; T128-S130 PolarHBondContact O-N 2.82Å; T128-L131 PolarHBondContact O-N 3.16Å; T128-L132 HydrophobicContact CG2-CD1 4.21Å; T128-L132 HydrophobicContact CG2-CG 4.4Å; T128-L132 WeakPolarHBondContact O-CG 3.34Å; T128-L132 PolarHBondContact O-N 3.03Å
129	A	98.7	Very high	98.3	Very high	62 Å²	62	57.8 Å²	57.8	51%	0.512	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-44.4	177.6	0	0	0	0	0	111.5	I125 L132 S133	I125-A129 WeakPolarHBondContact O-CB 3.4Å; I125-A129 PolarHBondContact O-N 3.06Å; A129-L132 PolarHBondContact O-N 3.41Å; A129-S133 PolarHBondContact O-N 2.94Å; A129-S133 VanDerWaalsContact O-N 3.14Å
130	S	98.6	Very high	98.3	Very high	16 Å²	16	52.7 Å²	52.7	11%	0.112	30%	0.299	C	S	.	.	H	α-helix	trans	-58.4	-47.5	173.9	171.9	0	0	0	0	112.3	N57 L126 T128 S133	N57-S130 VanDerWaalsContact CB-OG 3.28Å; N57-S130 WeakPolarHBondContact CB-OG 3.27Å; N57-S130 PolarHBondContact ND2-OG 2.99Å; L126-S130 WeakPolarHBondContact O-CB 3.17Å; L126-S130 PolarHBondContact O-N 3.5Å; T128-S130 VanDerWaalsContact C-N 3.31Å; T128-S130 PolarHBondContact O-N 2.82Å; S130-S133 PolarHBondContact O-N 2.73Å; S130-S133 PolarHBondContact O-OG 3.2Å
131	L	98.8	Very high	98.2	Very high	15 Å²	15	57 Å²	57	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-45.3	178.5	-179.7	67.2	0	0	0	112	P106 I107 Y110 N127 T128 S133 V134 L135	P106-L131 HydrophobicContact CB-CD1 3.92Å; I107-L131 HydrophobicContact CG1-CD1 4.22Å; Y110-L131 HydrophobicContact CD1-CD2 3.9Å; Y110-L131 HydrophobicContact CD2-CB 4.23Å; Y110-L131 HydrophobicContact CD2-CD2 3.95Å; Y110-L131 HydrophobicContact CE1-CD2 4.39Å; Y110-L131 HydrophobicContact CE2-CD2 4.45Å; Y110-L131 HydrophobicContact CG-CD2 3.66Å; N127-L131 WeakPolarHBondContact O-CB 3.34Å; N127-L131 PolarHBondContact O-N 3.31Å; T128-L131 PolarHBondContact O-N 3.16Å; L131-S133 VanDerWaalsContact C-N 3.26Å; L131-S133 PolarHBondContact O-N 2.88Å; L131-V134 WeakPolarHBondContact O-CG2 3.5Å; L131-V134 PolarHBondContact O-N 3.12Å; L131-V134 VanDerWaalsContact O-N 3.14Å; L131-L135 HydrophobicContact CD1-CD1 3.76Å; L131-L135 HydrophobicContact CD1-CD2 4.4Å; L131-L135 HydrophobicContact CD1-CG 3.83Å; L131-L135 HydrophobicContact CD2-CD1 3.92Å; L131-L135 HydrophobicContact CG-CD1 3.61Å; L131-L135 HydrophobicContact CG-CG 3.97Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 3.4Å
132	L	98.6	Very high	98.1	Very high	84 Å²	84	55 Å²	55	44%	0.44	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-36	-179.5	-70.2	179.3	0	0	0	112	T128 A129 V134 L135 I136	T128-L132 HydrophobicContact CG2-CD1 4.21Å; T128-L132 HydrophobicContact CG2-CG 4.4Å; T128-L132 WeakPolarHBondContact O-CG 3.34Å; T128-L132 PolarHBondContact O-N 3.03Å; A129-L132 PolarHBondContact O-N 3.41Å; L132-V134 PolarHBondContact O-N 3.07Å; L132-V134 VanDerWaalsContact O-N 3.16Å; L132-L135 PolarHBondContact O-N 2.84Å; L132-I136 HydrophobicContact CB-CD1 4.1Å; L132-I136 WeakPolarHBondContact O-CB 3.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.44Å; L132-I136 PolarHBondContact O-N 3.09Å
133	S	97.6	Very high	98	Very high	51 Å²	51	53.8 Å²	53.8	36%	0.357	29%	0.289	S	S	.	.	H	α-helix	trans	-58.1	-28.5	177.3	79.9	0	0	0	0	113.5	Y61 A129 S130 L131 P137	Y61-S133 WeakPolarHBondContact CD2-O 3.06Å; A129-S133 PolarHBondContact O-N 2.94Å; A129-S133 VanDerWaalsContact O-N 3.14Å; S130-S133 PolarHBondContact O-N 2.73Å; S130-S133 PolarHBondContact O-OG 3.2Å; L131-S133 VanDerWaalsContact C-N 3.26Å; L131-S133 PolarHBondContact O-N 2.88Å; S133-P137 VanDerWaalsContact O-CD 3.23Å; S133-P137 WeakPolarHBondContact O-CD 3.18Å; S133-P137 WeakPolarHBondContact O-CG 3.41Å
134	V	98.2	Very high	97.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-104.5	-19.4	179.5	-66.1	0	0	0	0	114.2	N57 M60 P106 L131 L132 K138	N57-V134 HydrophobicContact CB-CG1 3.81Å; N57-V134 HydrophobicContact CB-CG2 4.09Å; N57-V134 WeakPolarHBondContact O-CG1 3.48Å; M60-V134 HydrophobicContact CB-CG1 4.38Å; P106-V134 HydrophobicContact CB-CG2 4.3Å; L131-V134 WeakPolarHBondContact O-CG2 3.5Å; L131-V134 PolarHBondContact O-N 3.12Å; L131-V134 VanDerWaalsContact O-N 3.14Å; L132-V134 PolarHBondContact O-N 3.07Å; L132-V134 VanDerWaalsContact O-N 3.16Å; V134-K138 WeakPolarHBondContact O-CD 3.32Å; V134-K138 WeakPolarHBondContact O-CE 3.27Å; V134-K138 WeakPolarHBondContact O-CG 3.41Å; V134-K138 PolarHBondContact O-NZ 3.33Å
135	L	98.5	Very high	97.6	Very high	36 Å²	36	53.5 Å²	53.5	19%	0.188	31%	0.306	C	S	.	.	H	α-helix	trans	-86.6	-39.8	177.2	-70	-171.8	0	0	0	112.5	T103 P106 I107 L131 L132 K138 M139	T103-L135 HydrophobicContact CG2-CD2 3.99Å; P106-L135 HydrophobicContact CG-CD2 4.38Å; I107-L135 HydrophobicContact CD1-CD1 4.04Å; I107-L135 HydrophobicContact CD1-CD2 4.17Å; I107-L135 HydrophobicContact CG1-CD1 3.84Å; I107-L135 HydrophobicContact CG1-CD2 4.12Å; L131-L135 HydrophobicContact CD1-CD1 3.76Å; L131-L135 HydrophobicContact CD1-CD2 4.4Å; L131-L135 HydrophobicContact CD1-CG 3.83Å; L131-L135 HydrophobicContact CD2-CD1 3.92Å; L131-L135 HydrophobicContact CG-CD1 3.61Å; L131-L135 HydrophobicContact CG-CG 3.97Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 3.4Å; L132-L135 PolarHBondContact O-N 2.84Å; L135-K138 WeakPolarHBondContact O-CB 3.37Å; L135-K138 PolarHBondContact O-N 2.89Å; L135-M139 PolarHBondContact O-N 3.25Å
136	I	97.9	Very high	97.5	Very high	74 Å²	74	50.9 Å²	50.9	38%	0.379	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-56.5	-50.7	-178.9	-70.7	171.1	0	0	0	110.6	L132 K138 M139 L142	L132-I136 HydrophobicContact CB-CD1 4.1Å; L132-I136 WeakPolarHBondContact O-CB 3.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.44Å; L132-I136 PolarHBondContact O-N 3.09Å; I136-K138 PolarHBondContact O-N 3.09Å; I136-K138 VanDerWaalsContact O-N 3.09Å; I136-M139 HydrophobicContact CB-CE 4.24Å; I136-M139 HydrophobicContact CG1-CE 4.34Å; I136-M139 HydrophobicContact CG2-CE 3.88Å; I136-M139 WeakPolarHBondContact O-CB 3.18Å; I136-M139 WeakPolarHBondContact O-CG 3.03Å; I136-M139 PolarHBondContact O-N 3.16Å; I136-M139 VanDerWaalsContact O-N 3.12Å; I136-L142 HydrophobicContact CG2-CD1 3.62Å; I136-L142 WeakPolarHBondContact O-CD1 3.39Å
137	P	96.9	Very high	97.1	Very high	35 Å²	35	51.3 Å²	51.3	23%	0.227	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-67.4	-12	179.8	-19.6	34.1	0	0	0	114.5	Y61 S133	Y61-P137 HydrophobicContact CE2-CG 4.38Å; S133-P137 VanDerWaalsContact O-CD 3.23Å; S133-P137 WeakPolarHBondContact O-CD 3.18Å; S133-P137 WeakPolarHBondContact O-CG 3.41Å
138	K	98	Very high	96.9	Very high	9 Å²	9	60.6 Å²	60.6	4%	0.039	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-87.4	-12.9	177.4	-68.1	177.4	-173.6	157.1	0	113.1	W86 F102 V134 L135 I136	W86-K138 HydrophobicContact CD2-CG 4.11Å; W86-K138 HydrophobicContact CE3-CG 4.37Å; W86-K138 HydrophobicContact CH2-CB 4.13Å; W86-K138 HydrophobicContact CH2-CD 3.85Å; W86-K138 HydrophobicContact CH2-CG 3.81Å; W86-K138 HydrophobicContact CZ2-CB 3.53Å; W86-K138 HydrophobicContact CZ2-CD 4.08Å; W86-K138 HydrophobicContact CZ2-CG 3.52Å; W86-K138 HydrophobicContact CZ3-CD 4.15Å; W86-K138 HydrophobicContact CZ3-CG 4.23Å; F102-K138 PolarHBondContact O-NZ 3.31Å; V134-K138 WeakPolarHBondContact O-CD 3.32Å; V134-K138 WeakPolarHBondContact O-CE 3.27Å; V134-K138 WeakPolarHBondContact O-CG 3.41Å; V134-K138 PolarHBondContact O-NZ 3.33Å; L135-K138 WeakPolarHBondContact O-CB 3.37Å; L135-K138 PolarHBondContact O-N 2.89Å; I136-K138 PolarHBondContact O-N 3.09Å; I136-K138 VanDerWaalsContact O-N 3.09Å
139	M	97.3	Very high	96.5	Very high	83 Å²	83	60.8 Å²	60.8	41%	0.409	34%	0.34	S	S	.	.	S	Bend	trans	-60	129	177.5	-68.1	-166.5	-70.4	0	0	110.3	L135 I136 Q141 L142 H143	L135-M139 PolarHBondContact O-N 3.25Å; I136-M139 HydrophobicContact CB-CE 4.24Å; I136-M139 HydrophobicContact CG1-CE 4.34Å; I136-M139 HydrophobicContact CG2-CE 3.88Å; I136-M139 WeakPolarHBondContact O-CB 3.18Å; I136-M139 WeakPolarHBondContact O-CG 3.03Å; I136-M139 PolarHBondContact O-N 3.16Å; I136-M139 VanDerWaalsContact O-N 3.12Å; M139-Q141 PolarHBondContact O-N 3.29Å; M139-Q141 VanDerWaalsContact O-N 3.09Å; M139-L142 HydrophobicContact CE-CD1 3.7Å; M139-L142 HydrophobicContact CE-CG 4.33Å; M139-L142 PolarHBondContact O-N 3.15Å; M139-H143 PolarHBondContact O-N 3.34Å
140	P	97.1	Very high	96.2	Very high	45 Å²	45	62.8 Å²	62.8	29%	0.292	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-53.4	-31.9	178.8	-29.8	36.1	0	0	0	114.1	Q94 F95 L142 H143	Q94-P140 HydrophobicContact CB-CG 4.42Å; Q94-P140 HydrophobicContact CG-CB 4.08Å; Q94-P140 HydrophobicContact CG-CG 4.42Å; F95-P140 HydrophobicContact CE1-CG 4.02Å; F95-P140 HydrophobicContact CE2-CG 3.97Å; F95-P140 HydrophobicContact CZ-CG 3.55Å; P140-L142 PolarHBondContact O-N 3.02Å; P140-H143 VanDerWaalsContact O-CB 3.29Å; P140-H143 WeakPolarHBondContact O-CB 3.29Å; P140-H143 PolarHBondContact O-N 2.94Å
141	Q	96.5	Very high	95.9	Very high	152 Å²	152	64.5 Å²	64.5	71%	0.71	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-65.3	-22.1	177.8	-60.8	84.8	-14.6	0	0	113.1	M139	M139-Q141 PolarHBondContact O-N 3.29Å; M139-Q141 VanDerWaalsContact O-N 3.09Å
142	L	96.4	Very high	95.5	Very high	47 Å²	47	68.9 Å²	68.9	25%	0.246	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-104.5	7.1	177.7	-63.9	-176.9	0	0	0	112.8	I136 M139 P140 G144 V145	I136-L142 HydrophobicContact CG2-CD1 3.62Å; I136-L142 WeakPolarHBondContact O-CD1 3.39Å; M139-L142 HydrophobicContact CE-CD1 3.7Å; M139-L142 HydrophobicContact CE-CG 4.33Å; M139-L142 PolarHBondContact O-N 3.15Å; P140-L142 PolarHBondContact O-N 3.02Å; L142-G144 PolarHBondContact O-N 3.05Å; L142-V145 HydrophobicContact CD2-CB 4.42Å; L142-V145 HydrophobicContact CD2-CG1 4.39Å; L142-V145 HydrophobicContact CD2-CG2 4.48Å; L142-V145 WeakPolarHBondContact O-CB 3.39Å; L142-V145 PolarHBondContact O-N 3.13Å; L142-V145 VanDerWaalsContact O-N 3.07Å
143	H	96.3	Very high	95	Very high	66 Å²	66	74.7 Å²	74.7	31%	0.306	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	126.1	177.3	-174.6	80.4	0	0	0	110.9	Q94 M139 P140 V145	Q94-H143 PolarHBondContact NE2-ND1 3.13Å; M139-H143 PolarHBondContact O-N 3.34Å; P140-H143 VanDerWaalsContact O-CB 3.29Å; P140-H143 WeakPolarHBondContact O-CB 3.29Å; P140-H143 PolarHBondContact O-N 2.94Å; H143-V145 PolarHBondContact O-N 3.25Å
144	G	94.3	Very high	94.8	Very high	44 Å²	44	75.9 Å²	75.9	45%	0.454	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-4.2	-176.2	0	0	0	0	0	114.8	E87 L142	E87-G144 WeakPolarHBondContact OE1-CA 3.3Å; E87-G144 PolarHBondContact OE1-N 2.52Å; L142-G144 PolarHBondContact O-N 3.05Å
145	V	95.7	Very high	94.7	Very high	73 Å²	73	79.8 Å²	79.8	44%	0.442	41%	0.406	S	S	.	.			trans	-81.2	138.1	-177.6	-179.7	0	0	0	0	110.3	L142 H143 I147	L142-V145 HydrophobicContact CD2-CB 4.42Å; L142-V145 HydrophobicContact CD2-CG1 4.39Å; L142-V145 HydrophobicContact CD2-CG2 4.48Å; L142-V145 WeakPolarHBondContact O-CB 3.39Å; L142-V145 PolarHBondContact O-N 3.13Å; L142-V145 VanDerWaalsContact O-N 3.07Å; H143-V145 PolarHBondContact O-N 3.25Å; V145-I147 HydrophobicContact CG1-CG1 4.17Å
146	R	94.9	Very high	94.4	Very high	59 Å²	59	82.3 Å²	82.3	22%	0.223	42%	0.418	C	S	.	.			trans	-119.6	84.2	177.6	-63.2	-73.9	-178.5	-81.1	-2.9	109.3	L82 E87 F148 G149 I150 N151	L82-R146 PolarHBondContact O-NH2 3.43Å; E87-R146 IonicContact OE1-CZ 3.42Å; E87-R146 IonicContact OE1-NH1 3.26Å; E87-R146 PolarHBondContact OE1-NH1 3.16Å; E87-R146 IonicContact OE1-NH2 3.41Å; E87-R146 PolarHBondContact OE1-NH2 2.9Å; E87-R146 IonicContact OE2-CZ 3.98Å; E87-R146 IonicContact OE2-NH1 2.71Å; E87-R146 IonicContact OE2-NH2 3.61Å; E87-R146 PolarHBondContact OE2-NH2 2.89Å; R146-F148 PolarHBondContact O-N 3.36Å; R146-G149 PolarHBondContact O-N 2.71Å; R146-I150 WeakPolarHBondContact CD-O 3.45Å; R146-N151 PolarHBondContact NE-O 3.44Å
147	I	91.3	Very high	94.2	Very high	91 Å²	91	82.8 Å²	82.8	47%	0.467	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-58.1	128.8	-179.9	-54.6	176.9	0	0	0	108.9	V145 G149 I150	V145-I147 HydrophobicContact CG1-CG1 4.17Å; I147-G149 PolarHBondContact O-N 3.48Å; I147-I150 WeakPolarHBondContact O-CB 3.34Å; I147-I150 WeakPolarHBondContact O-CG1 3.37Å; I147-I150 PolarHBondContact O-N 3.2Å
148	F	93.7	Very high	94.1	Very high	196 Å²	196	85.8 Å²	85.8	86%	0.86	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	53.4	19.4	-174.7	-50.6	-57.2	0	0	0	115.2	R146 I150	R146-F148 PolarHBondContact O-N 3.36Å; F148-I150 HydrophobicContact CB-CG1 4.41Å; F148-I150 PolarHBondContact O-N 3.22Å
149	G	92.2	Very high	93.8	Very high	38 Å²	38	90.9 Å²	90.9	39%	0.392	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	71.4	10.8	-175.7	0	0	0	0	0	114.8	R146 I147 N151 K152	R146-G149 PolarHBondContact O-N 2.71Å; I147-G149 PolarHBondContact O-N 3.48Å; G149-N151 PolarHBondContact O-N 3.36Å; G149-K152 VanDerWaalsContact O-CB 3.22Å; G149-K152 WeakPolarHBondContact O-CB 3.38Å; G149-K152 PolarHBondContact O-N 2.82Å
150	I	91.9	Very high	93.6	Very high	105 Å²	105	91.4 Å²	91.4	54%	0.538	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	133.7	176.5	-63.9	169.6	0	0	0	109.4	R146 I147 F148 K152	R146-I150 WeakPolarHBondContact CD-O 3.45Å; I147-I150 WeakPolarHBondContact O-CB 3.34Å; I147-I150 WeakPolarHBondContact O-CG1 3.37Å; I147-I150 PolarHBondContact O-N 3.2Å; F148-I150 HydrophobicContact CB-CG1 4.41Å; F148-I150 PolarHBondContact O-N 3.22Å; I150-K152 PolarHBondContact O-N 3.26Å
151	N	92.2	Very high	93.3	Very high	51 Å²	51	95 Å²	95	27%	0.273	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	25.9	179.3	-157	20	0	0	0	114.9	H65 A66 K68 R146 G149	H65-N151 PolarHBondContact O-ND2 2.91Å; H65-N151 VanDerWaalsContact O-ND2 3.12Å; A66-N151 PolarHBondContact O-ND2 3.08Å; K68-N151 WeakPolarHBondContact CE-OD1 3.31Å; K68-N151 PolarHBondContact NZ-O 2.96Å; K68-N151 PolarHBondContact NZ-OD1 2.92Å; R146-N151 PolarHBondContact NE-O 3.44Å; G149-N151 PolarHBondContact O-N 3.36Å
152	K	90.9	Very high	93	Very high	107 Å²	107	90.3 Å²	90.3	47%	0.465	46%	0.456	S	S	.	.			trans	-68.9	-39.1	-177.7	-176.3	178.7	179.3	-170.6	0	114	G149 I150	G149-K152 VanDerWaalsContact O-CB 3.22Å; G149-K152 WeakPolarHBondContact O-CB 3.38Å; G149-K152 PolarHBondContact O-N 2.82Å; I150-K152 PolarHBondContact O-N 3.26Å
153	Y	86.5	Confident	92.7	Very high	206 Å²	206	94.2 Å²	94.2	81%	0.808	48%	0.475	S	S	*	.			trans	-108.1	0	-176	-58.8	-72	0	0	0	111.3	K68	K68-Y153 PolarHBondContact NZ-O 3.09Å; K68-Y153 PolarHBondContact NZ-OXT 3.08Å

Retrieved 153 of 153 residues in 97.1 ms (Link to these results)

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