A0A087XFG8_POEFO Loading...

Alkaline ceramidase

Hydrolyzes the sphingolipid ceramide into sphingosine and free fatty acid.

AlphaFold DB (A0A3B3VLF2), UniProt , Accession A0A087XFG8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 277 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	40.9	Very low	59.8	Low	242 Å²	242	119.3 Å²	119.3	100%	1.192	62%	0.622	S	S	*	*				0	114.6	0	-78.5	165.3	168.8	0	0	106.5
2	S	44.9	Very low	61.6	Low	107 Å²	107	113 Å²	113	75%	0.748	59%	0.59	S	S	*	*			trans	-65.2	125.5	-166.5	40.5	0	0	0	0	112.1	V4	S2-V4 VanDerWaalsContact C-N 3.35Å; S2-V4 PolarHBondContact O-N 3.3Å
3	N	48.6	Very low	63.7	Low	166 Å²	166	112.5 Å²	112.5	89%	0.888	58%	0.583	S	S	*	*			trans	-57.6	94.9	163.8	-78.2	-20.8	0	0	0	109.2
4	V	51.6	Low	65.5	Low	78 Å²	78	109.1 Å²	109.1	47%	0.473	58%	0.579	S	S	.	*			trans	-78.5	120.4	164	-179.5	0	0	0	0	106.3	S2 F8	S2-V4 VanDerWaalsContact C-N 3.35Å; S2-V4 PolarHBondContact O-N 3.3Å; V4-F8 HydrophobicContact CG1-CD1 4.25Å
5	N	53.2	Low	67.2	Low	114 Å²	114	105.3 Å²	105.3	61%	0.61	58%	0.576	S	S	*	*			trans	-53.4	136.2	-172.2	-94.4	-35	0	0	0	112.8	I7 F8	N5-I7 PolarHBondContact O-N 3.44Å; N5-I7 VanDerWaalsContact O-N 3.15Å; N5-F8 PolarHBondContact O-N 3.19Å; N5-F8 VanDerWaalsContact O-N 3.07Å
6	P	59.9	Low	68.8	Low	90 Å²	90	101 Å²	101	58%	0.584	56%	0.556	S	S	*	*	H	α-helix	trans	-55.5	-33.1	177.9	18.9	-29.5	0	0	0	113.3	F8 W9 D10	P6-F8 PolarHBondContact O-N 3.45Å; P6-W9 PolarHBondContact O-N 2.85Å; P6-W9 VanDerWaalsContact O-N 3.07Å; P6-D10 PolarHBondContact O-N 3.01Å
7	I	64	Low	70.2	Confident	114 Å²	114	95.9 Å²	95.9	59%	0.585	53%	0.53	S	S	*	.	H	α-helix	trans	-56.6	-33.2	177.7	-60.2	170.4	0	0	0	113	N5	N5-I7 PolarHBondContact O-N 3.44Å; N5-I7 VanDerWaalsContact O-N 3.15Å
8	F	66.1	Low	71.2	Confident	101 Å²	101	99.6 Å²	99.6	44%	0.443	55%	0.548	S	S	.	.	H	α-helix	trans	-72.2	-34.3	179.9	-179.1	-102.2	0	0	0	112.1	V4 N5 P6 Q11 L12	V4-F8 HydrophobicContact CG1-CD1 4.25Å; N5-F8 PolarHBondContact O-N 3.19Å; N5-F8 VanDerWaalsContact O-N 3.07Å; P6-F8 PolarHBondContact O-N 3.45Å; F8-Q11 PolarHBondContact O-N 3.34Å; F8-L12 HydrophobicContact CD1-CD1 4.07Å; F8-L12 HydrophobicContact CE1-CD1 3.65Å; F8-L12 HydrophobicContact CZ-CD1 4.24Å
9	W	71.1	Confident	72.2	Confident	150 Å²	150	95.3 Å²	95.3	57%	0.568	53%	0.525	S	S	*	.	H	α-helix	trans	-71.8	-32.6	178.2	-67	106.6	0	0	0	111.9	P6 Q11 L12 Q13	P6-W9 PolarHBondContact O-N 2.85Å; P6-W9 VanDerWaalsContact O-N 3.07Å; W9-Q11 VanDerWaalsContact C-N 3.3Å; W9-Q11 PolarHBondContact O-N 3.22Å; W9-L12 HydrophobicContact CE3-CD1 3.83Å; W9-L12 HydrophobicContact CZ3-CD1 4.02Å; W9-L12 WeakPolarHBondContact O-CB 3.46Å; W9-L12 PolarHBondContact O-N 3.47Å; W9-L12 VanDerWaalsContact O-N 3.16Å; W9-Q13 PolarHBondContact O-N 3.32Å
10	D	78.1	Confident	73.3	Confident	80 Å²	80	94.5 Å²	94.5	43%	0.428	52%	0.52	S	S	.	.	H	α-helix	trans	-64.3	-35.3	176.9	-61.9	-28.2	0	0	0	112	P6 L12 Q13 S16	P6-D10 PolarHBondContact O-N 3.01Å; D10-L12 PolarHBondContact O-N 3.38Å; D10-Q13 WeakPolarHBondContact O-CB 3.49Å; D10-Q13 PolarHBondContact O-N 3.17Å; D10-Q13 PolarHBondContact OD1-NE2 3.24Å; D10-S16 WeakPolarHBondContact O-CB 3.28Å
11	Q	79.8	Confident	74.4	Confident	70 Å²	70	91.2 Å²	91.2	33%	0.327	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18	176.4	-71	-178.1	-10.7	0	0	114.3	F8 W9 S16 F89 L90	F8-Q11 PolarHBondContact O-N 3.34Å; W9-Q11 VanDerWaalsContact C-N 3.3Å; W9-Q11 PolarHBondContact O-N 3.22Å; Q11-S16 PolarHBondContact O-OG 3.32Å; Q11-F89 HydrophobicContact CB-CB 4.47Å; Q11-F89 HydrophobicContact CB-CD1 3.94Å; Q11-F89 HydrophobicContact CG-CD1 3.77Å; Q11-F89 HydrophobicContact CG-CE1 4.41Å; Q11-L90 PolarHBondContact O-N 2.99Å; Q11-L90 VanDerWaalsContact O-N 3.11Å
12	L	80.3	Confident	77	Confident	44 Å²	44	80.1 Å²	80.1	23%	0.23	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-15.6	176	-72.7	171.1	0	0	0	112.5	F8 W9 D10 L90	F8-L12 HydrophobicContact CD1-CD1 4.07Å; F8-L12 HydrophobicContact CE1-CD1 3.65Å; F8-L12 HydrophobicContact CZ-CD1 4.24Å; W9-L12 HydrophobicContact CE3-CD1 3.83Å; W9-L12 HydrophobicContact CZ3-CD1 4.02Å; W9-L12 WeakPolarHBondContact O-CB 3.46Å; W9-L12 PolarHBondContact O-N 3.47Å; W9-L12 VanDerWaalsContact O-N 3.16Å; D10-L12 PolarHBondContact O-N 3.38Å; L12-L90 HydrophobicContact CD2-CB 4.06Å; L12-L90 HydrophobicContact CD2-CD2 3.22Å; L12-L90 HydrophobicContact CD2-CG 4.25Å; L12-L90 HydrophobicContact CG-CD2 4.44Å
13	Q	89.3	Confident	79.5	Confident	107 Å²	107	75.3 Å²	75.3	50%	0.5	41%	0.412	S	S	.	.	S	Bend	trans	-64.6	142.8	-177.8	-73.7	168.7	13.4	0	0	110.7	W9 D10 S16 S88	W9-Q13 PolarHBondContact O-N 3.32Å; D10-Q13 WeakPolarHBondContact O-CB 3.49Å; D10-Q13 PolarHBondContact O-N 3.17Å; D10-Q13 PolarHBondContact OD1-NE2 3.24Å; Q13-S16 VanDerWaalsContact O-CB 3.28Å; Q13-S16 WeakPolarHBondContact O-CB 3.25Å; Q13-S16 PolarHBondContact O-N 3.41Å; Q13-S16 PolarHBondContact O-OG 3.33Å; Q13-S88 WeakPolarHBondContact O-CB 3.14Å
14	A	89.3	Confident	81.8	Confident	64 Å²	64	68.7 Å²	68.7	53%	0.529	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	138.5	173	0	0	0	0	0	110.5	S16 T86	A14-S16 VanDerWaalsContact C-N 3.29Å; A14-S16 PolarHBondContact O-N 2.97Å; A14-T86 CarbonylContact C-O 3.52Å; A14-T86 WeakPolarHBondContact CA-O 3.38Å; A14-T86 VanDerWaalsContact CB-O 3.27Å; A14-T86 WeakPolarHBondContact CB-O 3.12Å
15	G	91.1	Very high	84	Confident	52 Å²	52	67.5 Å²	67.5	54%	0.536	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	14.2	-176.4	0	0	0	0	0	115.3	S17 T86 L87	G15-S17 VanDerWaalsContact C-N 3.29Å; G15-T86 PolarHBondContact N-O 3.17Å; G15-L87 CarbonylContact C-O 3.59Å; G15-L87 VanDerWaalsContact CA-O 3.22Å; G15-L87 WeakPolarHBondContact CA-O 3.38Å; G15-L87 PolarHBondContact N-O 3.35Å; G15-L87 VanDerWaalsContact N-O 3.14Å
16	S	92.4	Very high	86	Confident	37 Å²	37	66.7 Å²	66.7	26%	0.259	36%	0.363	S	S	.	.			trans	-79.2	-9.5	175.2	56.6	0	0	0	0	114	D10 Q11 Q13 A14 L87 S88 F89	D10-S16 WeakPolarHBondContact O-CB 3.28Å; Q11-S16 PolarHBondContact O-OG 3.32Å; Q13-S16 VanDerWaalsContact O-CB 3.28Å; Q13-S16 WeakPolarHBondContact O-CB 3.25Å; Q13-S16 PolarHBondContact O-N 3.41Å; Q13-S16 PolarHBondContact O-OG 3.33Å; A14-S16 VanDerWaalsContact C-N 3.29Å; A14-S16 PolarHBondContact O-N 2.97Å; S16-L87 PolarHBondContact N-O 3.41Å; S16-S88 WeakPolarHBondContact OG-CA 3.26Å; S16-F89 PolarHBondContact OG-N 2.92Å
17	S	92.1	Very high	87.7	Confident	15 Å²	15	68.7 Å²	68.7	11%	0.105	37%	0.368	C	S	.	.			trans	-74.4	137.1	174.5	173.9	0	0	0	0	111.4	G15 V19 F83 L87 Q92	G15-S17 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.25Å; S17-V19 WeakPolarHBondContact OG-CA 3.43Å; S17-V19 WeakPolarHBondContact OG-CB 3.23Å; S17-V19 PolarHBondContact OG-N 3.26Å; S17-V19 PolarHBondContact OG-O 2.83Å; S17-F83 WeakPolarHBondContact OG-CE2 3.48Å; S17-L87 WeakPolarHBondContact CB-O 3.39Å; S17-L87 PolarHBondContact N-O 2.98Å; S17-Q92 PolarHBondContact OG-OE1 3.34Å; S17-Q92 VanDerWaalsContact OG-OE1 3.14Å
18	D	88.7	Confident	89.3	Confident	161 Å²	161	67.4 Å²	67.4	86%	0.861	36%	0.362	S	S	*	.	S	Bend	trans	-74.6	-12.7	168	-66.5	-37.3	0	0	0	112.2
19	V	90.7	Very high	90.6	Very high	19 Å²	19	68.9 Å²	68.9	12%	0.115	37%	0.365	C	S	.	.			trans	-95.8	121.4	177.5	179.8	0	0	0	0	109.8	S17 W21 F83 Q92	S17-V19 PolarHBondContact O-N 3.25Å; S17-V19 WeakPolarHBondContact OG-CA 3.43Å; S17-V19 WeakPolarHBondContact OG-CB 3.23Å; S17-V19 PolarHBondContact OG-N 3.26Å; S17-V19 PolarHBondContact OG-O 2.83Å; V19-W21 HydrophobicContact CG1-CZ2 4.04Å; V19-F83 HydrophobicContact CB-CZ 4.11Å; V19-F83 HydrophobicContact CG1-CZ 4.02Å; V19-Q92 HydrophobicContact CG2-CG 4.46Å
20	D	93.9	Very high	91.7	Very high	79 Å²	79	66.7 Å²	66.7	42%	0.422	37%	0.37	S	S	.	.			trans	-128.7	137.8	172	-161.3	5.2	0	0	0	108.1	N25 L87 R198	D20-N25 PolarHBondContact OD1-ND2 3.24Å; D20-N25 PolarHBondContact OD2-ND2 3.36Å; D20-L87 WeakPolarHBondContact OD1-CD1 3.13Å; D20-R198 PolarHBondContact O-NH1 2.63Å
21	W	95.6	Very high	92.5	Very high	25 Å²	25	67.1 Å²	67.1	10%	0.095	38%	0.38	C	S	.	.			trans	-96.3	-179	179.4	-59.7	87.5	0	0	0	111	V19 E23 E34 F83 H84 W194 R198 H213	V19-W21 HydrophobicContact CG1-CZ2 4.04Å; W21-E23 VanDerWaalsContact C-N 3.28Å; W21-E23 PolarHBondContact O-N 3.1Å; W21-E34 WeakPolarHBondContact CA-OE1 3.26Å; W21-E34 VanDerWaalsContact CB-OE1 3.26Å; W21-E34 WeakPolarHBondContact CB-OE1 3.37Å; W21-E34 PolarHBondContact N-OE1 3.4Å; W21-F83 AromaticContact NE1-CE1 3.44Å; W21-F83 AromaticContact NE1-CZ 3.98Å; W21-H84 AromaticContact CD1-CE1 3.43Å; W21-H84 VanDerWaalsContact CD1-CE1 3.43Å; W21-H84 AromaticContact CD1-ND1 3.79Å; W21-H84 AromaticContact NE1-CE1 3.41Å; W21-H84 PolarHBondContact NE1-CE1 3.44Å; W21-W194 AromaticContact CH2-CD1 3.8Å; W21-W194 HydrophobicContact CH2-CD2 4.41Å; W21-W194 AromaticContact CH2-CE2 3.52Å; W21-W194 AromaticContact CH2-CZ2 3.82Å; W21-W194 HydrophobicContact CH2-CZ2 3.82Å; W21-W194 AromaticContact CH2-NE1 3.12Å; W21-W194 AromaticContact CZ3-CD1 3.92Å; W21-W194 HydrophobicContact CZ3-CD2 4.44Å; W21-W194 AromaticContact CZ3-CE2 3.96Å; W21-W194 HydrophobicContact CZ3-CG 4.41Å; W21-W194 HydrophobicContact CZ3-CZ2 4.46Å; W21-W194 AromaticContact CZ3-NE1 3.67Å; W21-R198 HydrophobicContact CE3-CG 3.92Å; W21-R198 HydrophobicContact CH2-CG 4.07Å; W21-R198 HydrophobicContact CZ3-CG 3.33Å; W21-H213 HydrophobicContact CB-CB 4.45Å; W21-H213 HydrophobicContact CD2-CB 4.32Å; W21-H213 AromaticContact CD2-CD2 3.63Å; W21-H213 AromaticContact CD2-CE1 3.48Å; W21-H213 VanDerWaalsContact CD2-CE1 3.48Å; W21-H213 AromaticContact CD2-CG 3.56Å; W21-H213 AromaticContact CD2-ND1 3.49Å; W21-H213 AromaticContact CD2-NE2 3.58Å; W21-H213 AromaticContact CE2-CD2 3.9Å; W21-H213 AromaticContact CE2-CE1 3.38Å; W21-H213 AromaticContact CE2-ND1 3.91Å; W21-H213 AromaticContact CE2-NE2 3.37Å; W21-H213 HydrophobicContact CE3-CB 4.04Å; W21-H213 AromaticContact CE3-CD2 3.99Å; W21-H213 AromaticContact CE3-CE1 3.38Å; W21-H213 AromaticContact CE3-CG 3.44Å; W21-H213 VanDerWaalsContact CE3-CG 3.44Å; W21-H213 AromaticContact CE3-ND1 3.04Å; W21-H213 AromaticContact CE3-NE2 3.95Å; W21-H213 HydrophobicContact CG-CB 4.47Å; W21-H213 AromaticContact CG-CD2 3.83Å; W21-H213 AromaticContact CG-CG 3.98Å; W21-H213 AromaticContact CH2-CE1 3.28Å; W21-H213 WeakPolarHBondContact CH2-CE1 3.23Å; W21-H213 AromaticContact CH2-ND1 3.7Å; W21-H213 AromaticContact CZ2-CE1 3.31Å; W21-H213 WeakPolarHBondContact CZ2-CE1 2.97Å; W21-H213 AromaticContact CZ2-NE2 3.67Å; W21-H213 AromaticContact CZ3-CE1 3.23Å; W21-H213 WeakPolarHBondContact CZ3-CE1 3.39Å; W21-H213 AromaticContact CZ3-ND1 3.11Å; W21-H213 WeakPolarHBondContact CZ3-ND1 3.44Å; W21-H213 AromaticContact NE1-NE2 3.73Å
22	C	96.6	Very high	93.3	Very high	10 Å²	10	65.5 Å²	65.5	7%	0.068	37%	0.373	C	S	.	.	S	Bend	trans	-71.4	-23.6	-173.7	-160.4	0	0	0	0	114	G24 D197 C201 S205 P210	C22-G24 PolarHBondContact O-N 3.06Å; C22-D197 WeakPolarHBondContact CB-OD2 3.3Å; C22-D197 PolarHBondContact N-OD2 2.86Å; C22-C201 WeakPolarHBondContact CA-SG 3.28Å; C22-C201 HydrophobicContact CB-CB 3.77Å; C22-C201 WeakPolarHBondContact CB-SG 3.43Å; C22-C201 VanDerWaalsContact SG-C 3.59Å; C22-C201 WeakPolarHBondContact SG-CA 3.45Å; C22-C201 WeakPolarHBondContact SG-CB 3.33Å; C22-C201 PolarHBondContact SG-O 3.36Å; C22-C201 CovalentContact SG-SG 2.05Å; C22-C201 PolarHBondContact SG-SG 3.11Å; C22-S205 PolarHBondContact SG-OG 3.38Å; C22-S205 VanDerWaalsContact SG-OG 3.33Å; C22-P210 HydrophobicContact CB-CB 4.14Å; C22-P210 WeakPolarHBondContact O-CB 3.36Å
23	E	97.4	Very high	94.1	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.028	36%	0.362	C	S	.	.	S	Bend	trans	-62.9	133.7	179.9	-177.2	176.9	177.1	0	0	110.9	W21 E34 F35 Y36 N37 P210 Y211	W21-E23 VanDerWaalsContact C-N 3.28Å; W21-E23 PolarHBondContact O-N 3.1Å; E23-E34 HydrophobicContact CB-CB 4.3Å; E23-E34 HydrophobicContact CB-CG 4.33Å; E23-E34 HydrophobicContact CG-CB 4.33Å; E23-F35 PolarHBondContact OE1-N 3.03Å; E23-Y36 WeakPolarHBondContact OE1-CD2 3.42Å; E23-Y36 PolarHBondContact OE1-N 3.22Å; E23-Y36 WeakPolarHBondContact OE2-CB 3.45Å; E23-Y36 PolarHBondContact OE2-N 3.11Å; E23-Y36 VanDerWaalsContact OE2-N 3.16Å; E23-N37 VanDerWaalsContact OE2-CG 3.27Å; E23-N37 PolarHBondContact OE2-N 2.93Å; E23-P210 PolarHBondContact N-O 3.33Å; E23-Y211 HydrophobicContact CG-CD1 4.28Å; E23-Y211 HydrophobicContact CG-CE1 4.1Å
24	G	96.1	Very high	94.6	Very high	27 Å²	27	58.4 Å²	58.4	28%	0.278	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-70	134.2	-178.9	0	0	0	0	0	113.5	C22	C22-G24 PolarHBondContact O-N 3.06Å
25	N	97.4	Very high	95	Very high	52 Å²	52	57.7 Å²	57.7	28%	0.278	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	131.2	-173.9	-70.3	-33.5	0	0	0	114	D20 L27 A33 E34 L87	D20-N25 PolarHBondContact OD1-ND2 3.24Å; D20-N25 PolarHBondContact OD2-ND2 3.36Å; N25-L27 PolarHBondContact O-N 2.96Å; N25-L27 VanDerWaalsContact O-N 3.17Å; N25-A33 CarbonylContact C-O 3.47Å; N25-A33 VanDerWaalsContact CA-O 3.28Å; N25-A33 WeakPolarHBondContact CA-O 3.41Å; N25-E34 WeakPolarHBondContact OD1-CG 3.47Å; N25-L87 WeakPolarHBondContact ND2-CD1 3.27Å; N25-L87 VanDerWaalsContact OD1-CD1 3.28Å; N25-L87 WeakPolarHBondContact OD1-CD1 3.3Å
26	Y	96.4	Very high	95.3	Very high	97 Å²	97	59.3 Å²	59.3	38%	0.38	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	22.6	176.2	-51.9	-79.5	0	0	0	114.8	P30 A33	Y26-P30 WeakPolarHBondContact CD1-O 3.42Å; Y26-A33 HydrophobicContact CD1-CB 4.48Å; Y26-A33 HydrophobicContact CE1-CB 3.94Å; Y26-A33 HydrophobicContact CE2-CB 4.03Å; Y26-A33 PolarHBondContact N-O 3.12Å
27	L	95.9	Very high	95.6	Very high	133 Å²	133	57.6 Å²	57.6	70%	0.696	30%	0.302	S	S	*	.	S	Bend	trans	-74.9	-32	-176.1	-66.6	-174.8	0	0	0	113.8	N25	N25-L27 PolarHBondContact O-N 2.96Å; N25-L27 VanDerWaalsContact O-N 3.17Å
28	I	96.6	Very high	95.9	Very high	87 Å²	87	57.4 Å²	57.4	45%	0.446	30%	0.3	S	S	.	.	S	Bend	trans	-99.3	-45.8	-176.4	-52.9	-59.1	0	0	0	111.5	F35 Y36	I28-F35 HydrophobicContact CB-CB 3.78Å; I28-F35 HydrophobicContact CB-CD1 4.13Å; I28-F35 HydrophobicContact CB-CD2 4.36Å; I28-F35 HydrophobicContact CB-CG 3.84Å; I28-F35 HydrophobicContact CG1-CB 4.02Å; I28-F35 HydrophobicContact CG1-CD1 4.29Å; I28-F35 HydrophobicContact CG1-CG 4.3Å; I28-F35 HydrophobicContact CG2-CB 4.34Å; I28-F35 HydrophobicContact CG2-CD1 3.79Å; I28-F35 HydrophobicContact CG2-CD2 4.13Å; I28-F35 HydrophobicContact CG2-CE1 4.08Å; I28-F35 HydrophobicContact CG2-CE2 4.4Å; I28-F35 HydrophobicContact CG2-CG 3.82Å; I28-F35 HydrophobicContact CG2-CZ 4.38Å; I28-Y36 HydrophobicContact CD1-CE2 4.36Å; I28-Y36 HydrophobicContact CG1-CE2 4.16Å
29	Y	94.8	Very high	96.4	Very high	131 Å²	131	53.6 Å²	53.6	51%	0.514	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-134.9	129.8	-179.4	-157.5	-97.2	0	0	0	111	S31 I32	Y29-S31 PolarHBondContact O-N 3.02Å; Y29-I32 HydrophobicContact CD1-CD1 4.3Å; Y29-I32 HydrophobicContact CD1-CG1 4.2Å; Y29-I32 PolarHBondContact O-N 2.99Å; Y29-I32 VanDerWaalsContact O-N 3.15Å
30	P	93.5	Very high	96.7	Very high	105 Å²	105	53.1 Å²	53.1	68%	0.682	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.2	-172	-24.6	34	0	0	0	115.8	Y26	Y26-P30 WeakPolarHBondContact CD1-O 3.42Å
31	S	94.6	Very high	97	Very high	89 Å²	89	49.3 Å²	49.3	62%	0.622	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	1.4	-177.6	-49.4	0	0	0	0	113.9	Y29	Y29-S31 PolarHBondContact O-N 3.02Å
32	I	97.4	Very high	97.1	Very high	36 Å²	36	52 Å²	52	19%	0.185	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-127.4	115.9	-178.9	-58.7	175.5	0	0	0	106.9	Y29 F35 T38 A85	Y29-I32 HydrophobicContact CD1-CD1 4.3Å; Y29-I32 HydrophobicContact CD1-CG1 4.2Å; Y29-I32 PolarHBondContact O-N 2.99Å; Y29-I32 VanDerWaalsContact O-N 3.15Å; I32-F35 HydrophobicContact CD1-CD2 4.07Å; I32-F35 HydrophobicContact CD1-CE2 4.36Å; I32-F35 HydrophobicContact CG2-CB 4.43Å; I32-F35 HydrophobicContact CG2-CD2 4.48Å; I32-T38 HydrophobicContact CG2-CG2 4.14Å; I32-T38 WeakPolarHBondContact CG2-OG1 3.42Å; I32-A85 HydrophobicContact CG2-CB 4.31Å
33	A	97.4	Very high	97.2	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	28%	0.284	C	S	.	.	S	Bend	trans	-60.9	-64.1	-178.4	0	0	0	0	0	111	N25 Y26 A85 L87	N25-A33 CarbonylContact C-O 3.47Å; N25-A33 VanDerWaalsContact CA-O 3.28Å; N25-A33 WeakPolarHBondContact CA-O 3.41Å; Y26-A33 HydrophobicContact CD1-CB 4.48Å; Y26-A33 HydrophobicContact CE1-CB 3.94Å; Y26-A33 HydrophobicContact CE2-CB 4.03Å; Y26-A33 PolarHBondContact N-O 3.12Å; A33-A85 PolarHBondContact N-O 3.5Å; A33-L87 HydrophobicContact CB-CD1 3.85Å; A33-L87 HydrophobicContact CB-CG 3.83Å
34	E	98.1	Very high	97.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-111.2	96.4	179.6	-59.3	177.6	167.8	0	0	109.5	W21 E23 N25 N37 T38 H84 L87	W21-E34 WeakPolarHBondContact CA-OE1 3.26Å; W21-E34 VanDerWaalsContact CB-OE1 3.26Å; W21-E34 WeakPolarHBondContact CB-OE1 3.37Å; W21-E34 PolarHBondContact N-OE1 3.4Å; E23-E34 HydrophobicContact CB-CB 4.3Å; E23-E34 HydrophobicContact CB-CG 4.33Å; E23-E34 HydrophobicContact CG-CB 4.33Å; N25-E34 WeakPolarHBondContact OD1-CG 3.47Å; E34-N37 HydrophobicContact CB-CB 3.84Å; E34-N37 PolarHBondContact OE2-ND2 3.04Å; E34-T38 VanDerWaalsContact O-CB 3.26Å; E34-T38 WeakPolarHBondContact O-CB 3.34Å; E34-T38 PolarHBondContact O-N 3.06Å; E34-T38 PolarHBondContact O-OG1 3.35Å; E34-H84 HydrophobicContact CB-CB 4.3Å; E34-H84 PolarHBondContact N-O 3.14Å; E34-H84 IonicContact OE2-CE1 3.5Å; E34-H84 IonicContact OE2-CG 3.8Å; E34-H84 IonicContact OE2-ND1 2.65Å; E34-H84 PolarHBondContact OE2-ND1 3.48Å; E34-L87 HydrophobicContact CG-CD1 4.43Å; E34-L87 HydrophobicContact CG-CD2 4.44Å
35	F	98.3	Very high	97.3	Very high	50 Å²	50	56.3 Å²	56.3	22%	0.219	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-50.8	-169.7	-180	-96.7	0	0	0	113.2	E23 I28 I32 T38 I39	E23-F35 PolarHBondContact OE1-N 3.03Å; I28-F35 HydrophobicContact CB-CB 3.78Å; I28-F35 HydrophobicContact CB-CD1 4.13Å; I28-F35 HydrophobicContact CB-CD2 4.36Å; I28-F35 HydrophobicContact CB-CG 3.84Å; I28-F35 HydrophobicContact CG1-CB 4.02Å; I28-F35 HydrophobicContact CG1-CD1 4.29Å; I28-F35 HydrophobicContact CG1-CG 4.3Å; I28-F35 HydrophobicContact CG2-CB 4.34Å; I28-F35 HydrophobicContact CG2-CD1 3.79Å; I28-F35 HydrophobicContact CG2-CD2 4.13Å; I28-F35 HydrophobicContact CG2-CE1 4.08Å; I28-F35 HydrophobicContact CG2-CE2 4.4Å; I28-F35 HydrophobicContact CG2-CG 3.82Å; I28-F35 HydrophobicContact CG2-CZ 4.38Å; I32-F35 HydrophobicContact CD1-CD2 4.07Å; I32-F35 HydrophobicContact CD1-CE2 4.36Å; I32-F35 HydrophobicContact CG2-CB 4.43Å; I32-F35 HydrophobicContact CG2-CD2 4.48Å; F35-T38 WeakPolarHBondContact O-CB 3.21Å; F35-T38 PolarHBondContact O-N 2.99Å; F35-I39 HydrophobicContact CD1-CD1 4.27Å; F35-I39 HydrophobicContact CE1-CD1 3.71Å; F35-I39 HydrophobicContact CE1-CG2 4.46Å; F35-I39 HydrophobicContact CE2-CG2 4.29Å; F35-I39 HydrophobicContact CZ-CD1 4.25Å; F35-I39 HydrophobicContact CZ-CG2 4.17Å; F35-I39 PolarHBondContact O-N 3.31Å
36	Y	98.1	Very high	97.3	Very high	86 Å²	86	57.3 Å²	57.3	34%	0.337	30%	0.295	S	S	.	.	H	α-helix	trans	-70.7	-39.8	-178.1	-68.6	-73.4	0	0	0	112	E23 I28 T38 I39 S40 Y211	E23-Y36 WeakPolarHBondContact OE1-CD2 3.42Å; E23-Y36 PolarHBondContact OE1-N 3.22Å; E23-Y36 WeakPolarHBondContact OE2-CB 3.45Å; E23-Y36 PolarHBondContact OE2-N 3.11Å; E23-Y36 VanDerWaalsContact OE2-N 3.16Å; I28-Y36 HydrophobicContact CD1-CE2 4.36Å; I28-Y36 HydrophobicContact CG1-CE2 4.16Å; Y36-T38 PolarHBondContact O-N 2.82Å; Y36-I39 HydrophobicContact CD1-CD1 4.13Å; Y36-I39 PolarHBondContact O-N 3.46Å; Y36-S40 WeakPolarHBondContact O-CB 3.38Å; Y36-S40 PolarHBondContact O-N 3.44Å; Y36-S40 PolarHBondContact O-OG 3.36Å; Y36-Y211 AromaticContact CD2-CD1 3.73Å; Y36-Y211 HydrophobicContact CD2-CD1 3.73Å; Y36-Y211 AromaticContact CD2-CE1 3.31Å; Y36-Y211 HydrophobicContact CD2-CE1 3.31Å; Y36-Y211 AromaticContact CD2-CZ 4Å; Y36-Y211 HydrophobicContact CE2-CD1 4.48Å; Y36-Y211 AromaticContact CE2-CE1 3.77Å; Y36-Y211 HydrophobicContact CE2-CE1 3.77Å; Y36-Y211 AromaticContact CE2-CZ 3.97Å; Y36-Y211 HydrophobicContact CG-CD1 4.13Å; Y36-Y211 HydrophobicContact CG-CE1 4.17Å
37	N	98.4	Very high	97.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-35.8	171.8	-68.7	-16.8	0	0	0	111.4	E23 E34 S40 N41 H84 C214 H217	E23-N37 VanDerWaalsContact OE2-CG 3.27Å; E23-N37 PolarHBondContact OE2-N 2.93Å; E34-N37 HydrophobicContact CB-CB 3.84Å; E34-N37 PolarHBondContact OE2-ND2 3.04Å; N37-S40 WeakPolarHBondContact CA-OG 3.31Å; N37-S40 PolarHBondContact O-OG 3.35Å; N37-N41 PolarHBondContact O-ND2 2.84Å; N37-H84 HydrophobicContact CB-CB 3.95Å; N37-C214 PolarHBondContact OD1-N 3.07Å; N37-H217 PolarHBondContact O-CE1 3.32Å; N37-H217 VanDerWaalsContact O-CE1 3.3Å; N37-H217 PolarHBondContact O-ND1 3.33Å; N37-H217 VanDerWaalsContact O-ND1 3.15Å
38	T	98.5	Very high	97.5	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-55.7	174.3	-59.7	0	0	0	0	111.9	I32 E34 F35 Y36 S40 N41 T81 H84 A85	I32-T38 HydrophobicContact CG2-CG2 4.14Å; I32-T38 WeakPolarHBondContact CG2-OG1 3.42Å; E34-T38 VanDerWaalsContact O-CB 3.26Å; E34-T38 WeakPolarHBondContact O-CB 3.34Å; E34-T38 PolarHBondContact O-N 3.06Å; E34-T38 PolarHBondContact O-OG1 3.35Å; F35-T38 WeakPolarHBondContact O-CB 3.21Å; F35-T38 PolarHBondContact O-N 2.99Å; Y36-T38 PolarHBondContact O-N 2.82Å; T38-S40 VanDerWaalsContact C-N 3.35Å; T38-S40 PolarHBondContact O-N 2.84Å; T38-N41 WeakPolarHBondContact O-CB 3.35Å; T38-N41 PolarHBondContact O-N 2.95Å; T38-T81 HydrophobicContact CG2-CG2 3.63Å; T38-H84 WeakPolarHBondContact OG1-CB 3.4Å; T38-H84 PolarHBondContact OG1-O 2.79Å; T38-A85 HydrophobicContact CG2-CB 4.15Å; T38-A85 PolarHBondContact OG1-N 2.89Å
39	I	98.2	Very high	97.5	Very high	82 Å²	82	46.2 Å²	46.2	42%	0.421	25%	0.247	S	C	.	.	H	α-helix	trans	-73.8	-23.9	-172.3	65.7	170	0	0	0	113.8	F35 Y36 N41 V42	F35-I39 HydrophobicContact CD1-CD1 4.27Å; F35-I39 HydrophobicContact CE1-CD1 3.71Å; F35-I39 HydrophobicContact CE1-CG2 4.46Å; F35-I39 HydrophobicContact CE2-CG2 4.29Å; F35-I39 HydrophobicContact CZ-CD1 4.25Å; F35-I39 HydrophobicContact CZ-CG2 4.17Å; F35-I39 PolarHBondContact O-N 3.31Å; Y36-I39 HydrophobicContact CD1-CD1 4.13Å; Y36-I39 PolarHBondContact O-N 3.46Å; I39-N41 PolarHBondContact O-N 3.26Å; I39-N41 VanDerWaalsContact O-N 3.14Å; I39-V42 WeakPolarHBondContact O-CB 3.5Å; I39-V42 PolarHBondContact O-N 3.18Å; I39-V42 VanDerWaalsContact O-N 3.12Å
40	S	98.4	Very high	97.7	Very high	8 Å²	8	42.1 Å²	42.1	6%	0.056	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.8	178.5	52.6	0	0	0	0	113.6	Y36 N37 T38 V42 C214 H217	Y36-S40 WeakPolarHBondContact O-CB 3.38Å; Y36-S40 PolarHBondContact O-N 3.44Å; Y36-S40 PolarHBondContact O-OG 3.36Å; N37-S40 WeakPolarHBondContact CA-OG 3.31Å; N37-S40 PolarHBondContact O-OG 3.35Å; T38-S40 VanDerWaalsContact C-N 3.35Å; T38-S40 PolarHBondContact O-N 2.84Å; S40-V42 PolarHBondContact O-N 2.9Å; S40-C214 WeakPolarHBondContact CB-SG 3.24Å; S40-H217 PolarHBondContact OG-ND1 2.86Å
41	N	98.6	Very high	97.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-6.1	173	-78.4	-67.2	0	0	0	114.8	N37 T38 I39 L43 F44 F45 S80 T81	N37-N41 PolarHBondContact O-ND2 2.84Å; T38-N41 WeakPolarHBondContact O-CB 3.35Å; T38-N41 PolarHBondContact O-N 2.95Å; I39-N41 PolarHBondContact O-N 3.26Å; I39-N41 VanDerWaalsContact O-N 3.14Å; N41-L43 PolarHBondContact O-N 2.94Å; N41-F44 HydrophobicContact CB-CD2 4.48Å; N41-F44 WeakPolarHBondContact O-CB 3.34Å; N41-F44 PolarHBondContact O-N 3.14Å; N41-F45 HydrophobicContact CB-CE2 4.41Å; N41-F45 WeakPolarHBondContact O-CD2 3.47Å; N41-S80 PolarHBondContact ND2-OG 3.44Å; N41-S80 VanDerWaalsContact OD1-CB 3.3Å; N41-S80 WeakPolarHBondContact OD1-CB 3.35Å; N41-S80 PolarHBondContact OD1-OG 2.88Å; N41-S80 VanDerWaalsContact OD1-OG 3.14Å; N41-T81 WeakPolarHBondContact CB-OG1 3.22Å
42	V	98.3	Very high	98	Very high	82 Å²	82	35.1 Å²	35.1	50%	0.497	18%	0.183	S	C	.	.	H	α-helix	trans	-49.8	-34.3	-177.8	66.8	0	0	0	0	113.9	I39 S40 F44 F45 V46	I39-V42 WeakPolarHBondContact O-CB 3.5Å; I39-V42 PolarHBondContact O-N 3.18Å; I39-V42 VanDerWaalsContact O-N 3.12Å; S40-V42 PolarHBondContact O-N 2.9Å; V42-F44 VanDerWaalsContact C-N 3.28Å; V42-F44 PolarHBondContact O-N 3.12Å; V42-F45 PolarHBondContact O-N 2.92Å; V42-V46 HydrophobicContact CG2-CG2 4.27Å; V42-V46 PolarHBondContact O-N 3.05Å
43	L	97.8	Very high	98.1	Very high	47 Å²	47	40.2 Å²	40.2	25%	0.246	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-30	-179.9	-67	-174.6	0	0	0	113.3	N41 F45 V46 L47 I218 C221	N41-L43 PolarHBondContact O-N 2.94Å; L43-F45 PolarHBondContact O-N 3.41Å; L43-V46 PolarHBondContact O-N 3.4Å; L43-L47 HydrophobicContact CB-CD1 4.35Å; L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 PolarHBondContact O-N 2.95Å; L43-I218 HydrophobicContact CD1-CB 4.39Å; L43-I218 HydrophobicContact CD1-CG1 4.47Å; L43-I218 HydrophobicContact CD1-CG2 3.83Å; L43-C221 HydrophobicContact CB-CB 4.32Å
44	F	98.4	Very high	98.1	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-67.9	-18.9	174.5	-72.6	-79.2	0	0	0	112.9	N41 V42 P48 L73 V76 I220 C221	N41-F44 HydrophobicContact CB-CD2 4.48Å; N41-F44 WeakPolarHBondContact O-CB 3.34Å; N41-F44 PolarHBondContact O-N 3.14Å; V42-F44 VanDerWaalsContact C-N 3.28Å; V42-F44 PolarHBondContact O-N 3.12Å; F44-P48 WeakPolarHBondContact O-CD 3.26Å; F44-P48 VanDerWaalsContact O-CG 3.23Å; F44-P48 WeakPolarHBondContact O-CG 3.26Å; F44-L73 HydrophobicContact CD1-CB 4.38Å; F44-L73 VanDerWaalsContact CD1-O 3.28Å; F44-L73 WeakPolarHBondContact CD1-O 3.28Å; F44-L73 HydrophobicContact CE1-CD2 4.21Å; F44-V76 HydrophobicContact CD1-CB 4.39Å; F44-V76 HydrophobicContact CD1-CG1 4.25Å; F44-V76 HydrophobicContact CE1-CB 4.32Å; F44-V76 HydrophobicContact CE1-CG1 3.83Å; F44-V76 HydrophobicContact CZ-CG1 3.99Å; F44-I220 HydrophobicContact CZ-CG2 4.14Å; F44-C221 HydrophobicContact CD1-CB 4.39Å; F44-C221 HydrophobicContact CD2-CB 4.2Å; F44-C221 HydrophobicContact CE1-CB 3.98Å; F44-C221 HydrophobicContact CE2-CB 3.77Å; F44-C221 HydrophobicContact CG-CB 4.49Å; F44-C221 HydrophobicContact CZ-CB 3.66Å
45	F	98.4	Very high	98	Very high	80 Å²	80	40.9 Å²	40.9	35%	0.351	21%	0.207	S	C	.	.	H	α-helix	trans	-93.9	-24.6	175.4	-61.2	-83.3	0	0	0	112.9	N41 V42 L43 P49 V74 G77 I78 T81	N41-F45 HydrophobicContact CB-CE2 4.41Å; N41-F45 WeakPolarHBondContact O-CD2 3.47Å; V42-F45 PolarHBondContact O-N 2.92Å; L43-F45 PolarHBondContact O-N 3.41Å; F45-P49 VanDerWaalsContact O-CD 3.3Å; F45-P49 WeakPolarHBondContact O-CD 3.41Å; F45-P49 VanDerWaalsContact O-CG 3.28Å; F45-P49 WeakPolarHBondContact O-CG 3.44Å; F45-V74 HydrophobicContact CD1-CG1 4.17Å; F45-V74 HydrophobicContact CE1-CG1 4.4Å; F45-G77 VanDerWaalsContact CZ-C 3.45Å; F45-I78 HydrophobicContact CE1-CG1 3.55Å; F45-I78 HydrophobicContact CZ-CG1 3.96Å; F45-T81 WeakPolarHBondContact CE2-OG1 3.38Å
46	V	97.8	Very high	98	Very high	72 Å²	72	45.2 Å²	45.2	44%	0.436	22%	0.222	S	C	.	.	H	α-helix	trans	-93.8	-49.6	-176.1	177.5	0	0	0	0	112	V42 L43 I50	V42-V46 HydrophobicContact CG2-CG2 4.27Å; V42-V46 PolarHBondContact O-N 3.05Å; L43-V46 PolarHBondContact O-N 3.4Å; V46-I50 HydrophobicContact CG1-CD1 3.93Å; V46-I50 WeakPolarHBondContact O-CG1 3.28Å
47	L	97.3	Very high	97.8	Very high	22 Å²	22	42.7 Å²	42.7	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-69.2	-48	-172.5	-69.3	174.8	0	0	0	113	L43 I50 L51 L222 Y225	L43-L47 HydrophobicContact CB-CD1 4.35Å; L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 PolarHBondContact O-N 2.95Å; L47-I50 PolarHBondContact O-N 3.27Å; L47-L51 HydrophobicContact CB-CD1 4.38Å; L47-L51 WeakPolarHBondContact O-CD1 3.25Å; L47-L51 VanDerWaalsContact O-CG 3.25Å; L47-L51 WeakPolarHBondContact O-CG 3.46Å; L47-L51 PolarHBondContact O-N 2.88Å; L47-L222 HydrophobicContact CD1-CD2 4.18Å; L47-Y225 HydrophobicContact CD1-CD1 4.49Å
48	P	98.1	Very high	97.7	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-41.6	-175.9	-22.9	34.6	0	0	0	114.6	F44 I50 L51 M52 W70 L73 V74	F44-P48 WeakPolarHBondContact O-CD 3.26Å; F44-P48 VanDerWaalsContact O-CG 3.23Å; F44-P48 WeakPolarHBondContact O-CG 3.26Å; P48-I50 PolarHBondContact O-N 2.98Å; P48-L51 CarbonylContact O-C 3.04Å; P48-L51 WeakPolarHBondContact O-CB 3.48Å; P48-L51 PolarHBondContact O-N 3.17Å; P48-L51 VanDerWaalsContact O-N 3.13Å; P48-M52 WeakPolarHBondContact O-CG 3.34Å; P48-M52 PolarHBondContact O-N 3.29Å; P48-W70 HydrophobicContact CB-CB 4.09Å; P48-W70 VanDerWaalsContact CB-O 3.3Å; P48-W70 WeakPolarHBondContact CB-O 3.1Å; P48-L73 HydrophobicContact CB-CB 4.39Å; P48-L73 HydrophobicContact CG-CB 3.77Å; P48-L73 HydrophobicContact CG-CD1 4.42Å; P48-V74 HydrophobicContact CB-CG2 3.74Å; P48-V74 HydrophobicContact CG-CG2 4.04Å
49	P	98.1	Very high	97.6	Very high	62 Å²	62	42.5 Å²	42.5	40%	0.403	21%	0.213	S	C	.	.	H	α-helix	trans	-61	-40.6	173.9	-27.9	37.9	0	0	0	113.8	F45 L51 M52 F53	F45-P49 VanDerWaalsContact O-CD 3.3Å; F45-P49 WeakPolarHBondContact O-CD 3.41Å; F45-P49 VanDerWaalsContact O-CG 3.28Å; F45-P49 WeakPolarHBondContact O-CG 3.44Å; P49-L51 VanDerWaalsContact C-N 3.29Å; P49-L51 PolarHBondContact O-N 3.47Å; P49-M52 PolarHBondContact O-N 3.24Å; P49-F53 PolarHBondContact O-N 3.32Å
50	I	97.6	Very high	97.5	Very high	45 Å²	45	44.3 Å²	44.3	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-44.5	173.2	-65.8	170.7	0	0	0	109.5	V46 L47 P48 M52 F53 L54 W250 V260	V46-I50 HydrophobicContact CG1-CD1 3.93Å; V46-I50 WeakPolarHBondContact O-CG1 3.28Å; L47-I50 PolarHBondContact O-N 3.27Å; P48-I50 PolarHBondContact O-N 2.98Å; I50-M52 PolarHBondContact O-N 3.14Å; I50-F53 WeakPolarHBondContact O-CB 3.24Å; I50-F53 PolarHBondContact O-N 2.95Å; I50-F53 VanDerWaalsContact O-N 3.15Å; I50-L54 HydrophobicContact CG2-CD1 3.78Å; I50-L54 HydrophobicContact CG2-CG 4.23Å; I50-L54 WeakPolarHBondContact O-CG 3.31Å; I50-L54 PolarHBondContact O-N 3.3Å; I50-W250 HydrophobicContact CG2-CE3 4.37Å; I50-V260 HydrophobicContact CG2-CG1 4.36Å
51	L	97.9	Very high	97.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.5	-33.4	179.4	-66.5	163.5	0	0	0	113	L47 P48 P49 F53 L54 F55 W70 Y225 V260	L47-L51 HydrophobicContact CB-CD1 4.38Å; L47-L51 WeakPolarHBondContact O-CD1 3.25Å; L47-L51 VanDerWaalsContact O-CG 3.25Å; L47-L51 WeakPolarHBondContact O-CG 3.46Å; L47-L51 PolarHBondContact O-N 2.88Å; P48-L51 CarbonylContact O-C 3.04Å; P48-L51 WeakPolarHBondContact O-CB 3.48Å; P48-L51 PolarHBondContact O-N 3.17Å; P48-L51 VanDerWaalsContact O-N 3.13Å; P49-L51 VanDerWaalsContact C-N 3.29Å; P49-L51 PolarHBondContact O-N 3.47Å; L51-F53 VanDerWaalsContact C-N 3.28Å; L51-F53 PolarHBondContact O-N 2.77Å; L51-L54 PolarHBondContact O-N 2.89Å; L51-F55 HydrophobicContact CB-CD2 4.41Å; L51-F55 HydrophobicContact CD2-CD2 4.26Å; L51-F55 HydrophobicContact CD2-CE2 3.94Å; L51-F55 VanDerWaalsContact O-CB 3.26Å; L51-F55 WeakPolarHBondContact O-CB 3.37Å; L51-F55 WeakPolarHBondContact O-CD2 3.21Å; L51-F55 PolarHBondContact O-N 3.37Å; L51-W70 HydrophobicContact CB-CD2 3.96Å; L51-W70 HydrophobicContact CB-CE3 4.48Å; L51-W70 HydrophobicContact CB-CG 4.32Å; L51-W70 HydrophobicContact CB-CH2 4.43Å; L51-W70 HydrophobicContact CB-CZ2 3.92Å; L51-W70 HydrophobicContact CD1-CD2 4.42Å; L51-W70 HydrophobicContact CD1-CE3 4.11Å; L51-W70 HydrophobicContact CD1-CH2 3.84Å; L51-W70 HydrophobicContact CD1-CZ2 4.17Å; L51-W70 HydrophobicContact CD1-CZ3 3.81Å; L51-W70 HydrophobicContact CD2-CZ2 4.44Å; L51-W70 HydrophobicContact CG-CZ2 4.41Å; L51-Y225 HydrophobicContact CD1-CD2 3.31Å; L51-Y225 HydrophobicContact CD1-CE2 3.74Å; L51-Y225 HydrophobicContact CD1-CG 4.08Å; L51-Y225 HydrophobicContact CD2-CD2 3.81Å; L51-Y225 HydrophobicContact CD2-CE2 3.32Å; L51-Y225 HydrophobicContact CG-CD2 4.18Å; L51-Y225 HydrophobicContact CG-CE2 4.12Å; L51-V260 HydrophobicContact CD2-CG1 3.74Å; L51-V260 HydrophobicContact CG-CG1 4.46Å
52	M	98	Very high	97.1	Very high	47 Å²	47	50.7 Å²	50.7	23%	0.232	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-40.5	171.4	-69.3	178.7	-162.3	0	0	111.3	P48 P49 I50 Y67 W70 I71	P48-M52 WeakPolarHBondContact O-CG 3.34Å; P48-M52 PolarHBondContact O-N 3.29Å; P49-M52 PolarHBondContact O-N 3.24Å; I50-M52 PolarHBondContact O-N 3.14Å; M52-Y67 HydrophobicContact CB-CD1 4.15Å; M52-Y67 HydrophobicContact CB-CE1 4.06Å; M52-Y67 HydrophobicContact CG-CD1 4.02Å; M52-Y67 HydrophobicContact CG-CE1 4.43Å; M52-Y67 VanDerWaalsContact O-CE1 3.26Å; M52-Y67 WeakPolarHBondContact O-CE1 3.39Å; M52-Y67 PolarHBondContact O-OH 3.45Å; M52-W70 VanDerWaalsContact CE-C 3.48Å; M52-W70 HydrophobicContact CE-CB 3.5Å; M52-W70 VanDerWaalsContact CE-CB 3.5Å; M52-W70 HydrophobicContact CG-CB 3.63Å; M52-W70 HydrophobicContact CG-CG 4.06Å; M52-W70 HydrophobicContact SD-CB 4.44Å; M52-I71 HydrophobicContact CE-CB 4.31Å; M52-I71 HydrophobicContact CE-CG1 3.54Å
53	F	97.9	Very high	96.9	Very high	143 Å²	143	47.8 Å²	47.8	63%	0.627	23%	0.229	S	C	*	.	H	α-helix	trans	-65.6	-49.3	174.9	176.2	-99.6	0	0	0	111.5	P49 I50 L51 F55 R56	P49-F53 PolarHBondContact O-N 3.32Å; I50-F53 WeakPolarHBondContact O-CB 3.24Å; I50-F53 PolarHBondContact O-N 2.95Å; I50-F53 VanDerWaalsContact O-N 3.15Å; L51-F53 VanDerWaalsContact C-N 3.28Å; L51-F53 PolarHBondContact O-N 2.77Å; F53-F55 PolarHBondContact O-N 2.7Å; F53-R56 WeakPolarHBondContact O-CB 3.21Å; F53-R56 PolarHBondContact O-N 2.64Å
54	L	97.2	Very high	96.8	Very high	14 Å²	14	51 Å²	51	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-35.7	-176.8	-65.2	176.8	0	0	0	113.5	I50 L51 R56 W250 V260 Y262	I50-L54 HydrophobicContact CG2-CD1 3.78Å; I50-L54 HydrophobicContact CG2-CG 4.23Å; I50-L54 WeakPolarHBondContact O-CG 3.31Å; I50-L54 PolarHBondContact O-N 3.3Å; L51-L54 PolarHBondContact O-N 2.89Å; L54-R56 VanDerWaalsContact C-N 3.26Å; L54-R56 PolarHBondContact O-N 2.89Å; L54-W250 HydrophobicContact CD1-CB 3.68Å; L54-W250 HydrophobicContact CD1-CG 4.15Å; L54-W250 HydrophobicContact CD2-CB 3.68Å; L54-W250 HydrophobicContact CD2-CG 3.72Å; L54-W250 HydrophobicContact CG-CB 4.34Å; L54-V260 HydrophobicContact CD1-CB 4.14Å; L54-V260 HydrophobicContact CD1-CG1 3.71Å; L54-Y262 HydrophobicContact CB-CD1 4.15Å; L54-Y262 HydrophobicContact CB-CD2 3.94Å; L54-Y262 HydrophobicContact CB-CG 3.71Å; L54-Y262 HydrophobicContact CD1-CD1 3.91Å; L54-Y262 HydrophobicContact CD1-CG 4.22Å; L54-Y262 HydrophobicContact CD2-CD1 4.15Å; L54-Y262 HydrophobicContact CD2-CE1 4.07Å; L54-Y262 HydrophobicContact CD2-CG 4.49Å; L54-Y262 HydrophobicContact CG-CD1 4.29Å; L54-Y262 HydrophobicContact CG-CG 4.36Å; L54-Y262 WeakPolarHBondContact O-CD2 3.38Å
55	F	97.5	Very high	96.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	12.5	179.3	-82	-102.6	0	0	0	113.7	L51 F53 E57 Y58 A59 I66 W70 V229 A232 Y262 V263	L51-F55 HydrophobicContact CB-CD2 4.41Å; L51-F55 HydrophobicContact CD2-CD2 4.26Å; L51-F55 HydrophobicContact CD2-CE2 3.94Å; L51-F55 VanDerWaalsContact O-CB 3.26Å; L51-F55 WeakPolarHBondContact O-CB 3.37Å; L51-F55 WeakPolarHBondContact O-CD2 3.21Å; L51-F55 PolarHBondContact O-N 3.37Å; F53-F55 PolarHBondContact O-N 2.7Å; F55-E57 VanDerWaalsContact C-N 3.31Å; F55-E57 PolarHBondContact O-N 2.94Å; F55-Y58 HydrophobicContact CD1-CD1 4.22Å; F55-Y58 HydrophobicContact CD1-CD2 4.37Å; F55-Y58 AromaticContact CD1-CG 3.91Å; F55-Y58 HydrophobicContact CD1-CG 3.91Å; F55-Y58 HydrophobicContact CE1-CG 4.5Å; F55-Y58 WeakPolarHBondContact O-CB 3.5Å; F55-Y58 PolarHBondContact O-N 3.39Å; F55-A59 WeakPolarHBondContact O-CB 3.38Å; F55-A59 PolarHBondContact O-N 3.19Å; F55-I66 HydrophobicContact CB-CG1 4.44Å; F55-I66 HydrophobicContact CB-CG2 4.45Å; F55-I66 HydrophobicContact CD1-CG1 3.96Å; F55-I66 HydrophobicContact CG-CG1 4.34Å; F55-W70 AromaticContact CD2-CZ2 3.94Å; F55-W70 HydrophobicContact CD2-CZ2 3.94Å; F55-W70 AromaticContact CE2-CZ2 3.82Å; F55-W70 HydrophobicContact CE2-CZ2 3.82Å; F55-W70 HydrophobicContact CG-CZ2 4.35Å; F55-W70 AromaticContact CG-NE1 3.96Å; F55-W70 HydrophobicContact CZ-CZ2 4.14Å; F55-V229 HydrophobicContact CE2-CG2 4.25Å; F55-V229 HydrophobicContact CZ-CG2 4Å; F55-A232 HydrophobicContact CE1-CB 3.81Å; F55-Y262 VanDerWaalsContact CE2-CB 3.45Å; F55-V263 HydrophobicContact CE1-CB 3.79Å; F55-V263 HydrophobicContact CE1-CG2 3.81Å; F55-V263 HydrophobicContact CZ-CB 4.23Å; F55-V263 HydrophobicContact CZ-CG2 4.01Å
56	R	96.7	Very high	96.7	Very high	142 Å²	142	47.7 Å²	47.7	54%	0.536	24%	0.237	S	C	.	.	H	α-helix	trans	-55.8	-44.4	179.2	-177.2	179.3	179.6	-178	2.8	113.2	F53 L54 A59 Q60 Y67	F53-R56 WeakPolarHBondContact O-CB 3.21Å; F53-R56 PolarHBondContact O-N 2.64Å; L54-R56 VanDerWaalsContact C-N 3.26Å; L54-R56 PolarHBondContact O-N 2.89Å; R56-A59 PolarHBondContact O-N 3.21Å; R56-Q60 HydrophobicContact CG-CG 4.35Å; R56-Q60 WeakPolarHBondContact O-CB 3.1Å; R56-Q60 VanDerWaalsContact O-CG 3.25Å; R56-Q60 WeakPolarHBondContact O-CG 3.28Å; R56-Q60 PolarHBondContact O-N 3.13Å; R56-Y67 VanDerWaalsContact CA-OH 3.31Å; R56-Y67 WeakPolarHBondContact CA-OH 3.45Å
57	E	94.8	Very high	96.7	Very high	33 Å²	33	47.7 Å²	47.7	15%	0.154	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-47.5	179	-168.7	-168.2	145.6	0	0	111.4	F55 A59 Q60 H61 S264 L265 V268 H269	F55-E57 VanDerWaalsContact C-N 3.31Å; F55-E57 PolarHBondContact O-N 2.94Å; E57-A59 VanDerWaalsContact C-N 3.32Å; E57-A59 PolarHBondContact O-N 3.36Å; E57-Q60 PolarHBondContact O-N 2.99Å; E57-H61 WeakPolarHBondContact O-CB 3.34Å; E57-H61 PolarHBondContact O-CD2 3.41Å; E57-H61 PolarHBondContact O-N 3.24Å; E57-S264 PolarHBondContact OE2-OG 2.87Å; E57-L265 VanDerWaalsContact OE1-CA 3.3Å; E57-L265 WeakPolarHBondContact OE1-CA 3.36Å; E57-L265 VanDerWaalsContact OE1-CB 3.23Å; E57-L265 WeakPolarHBondContact OE1-CB 3.43Å; E57-L265 PolarHBondContact OE1-N 3.24Å; E57-V268 HydrophobicContact CG-CB 4.32Å; E57-V268 HydrophobicContact CG-CG1 4.13Å; E57-V268 HydrophobicContact CG-CG2 4.33Å; E57-V268 WeakPolarHBondContact OE1-CB 3.32Å; E57-H269 IonicContact OE1-ND1 3.84Å; E57-H269 IonicContact OE2-CE1 3.41Å; E57-H269 PolarHBondContact OE2-CE1 3.21Å; E57-H269 IonicContact OE2-ND1 3.83Å
58	Y	96.4	Very high	96.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.2	-46.1	174.2	179.2	-78.8	0	0	0	111.8	F55 F62 N63 I66 A232 H235 V236 V263	F55-Y58 HydrophobicContact CD1-CD1 4.22Å; F55-Y58 HydrophobicContact CD1-CD2 4.37Å; F55-Y58 AromaticContact CD1-CG 3.91Å; F55-Y58 HydrophobicContact CD1-CG 3.91Å; F55-Y58 HydrophobicContact CE1-CG 4.5Å; F55-Y58 WeakPolarHBondContact O-CB 3.5Å; F55-Y58 PolarHBondContact O-N 3.39Å; Y58-F62 HydrophobicContact CD2-CD1 4.39Å; Y58-F62 HydrophobicContact CE1-CD1 4.14Å; Y58-F62 AromaticContact CE2-CD1 3.74Å; Y58-F62 HydrophobicContact CE2-CD1 3.74Å; Y58-F62 HydrophobicContact CE2-CE1 4.27Å; Y58-F62 AromaticContact CZ-CD1 3.58Å; Y58-F62 WeakPolarHBondContact O-CA 3.34Å; Y58-F62 WeakPolarHBondContact O-CB 3.34Å; Y58-F62 PolarHBondContact O-N 3.22Å; Y58-N63 HydrophobicContact CE1-CB 4.01Å; Y58-N63 WeakPolarHBondContact CE1-O 3.5Å; Y58-N63 PolarHBondContact O-N 3.44Å; Y58-I66 HydrophobicContact CD1-CB 4.03Å; Y58-I66 HydrophobicContact CD1-CG1 4.38Å; Y58-I66 HydrophobicContact CD1-CG2 3.8Å; Y58-I66 HydrophobicContact CE1-CB 3.9Å; Y58-I66 HydrophobicContact CE1-CG1 4.34Å; Y58-I66 HydrophobicContact CE1-CG2 4.16Å; Y58-A232 HydrophobicContact CD2-CB 4.49Å; Y58-A232 HydrophobicContact CE2-CB 3.77Å; Y58-A232 WeakPolarHBondContact CE2-O 3.3Å; Y58-H235 PolarHBondContact OH-ND1 2.97Å; Y58-V236 HydrophobicContact CD2-CG2 3.97Å; Y58-V236 HydrophobicContact CE2-CG2 3.47Å; Y58-V236 VanDerWaalsContact CE2-CG2 3.47Å; Y58-V263 HydrophobicContact CD2-CB 4.16Å; Y58-V263 HydrophobicContact CD2-CG1 3.98Å; Y58-V263 HydrophobicContact CE2-CG1 4.49Å
59	A	96.6	Very high	96.7	Very high	7 Å²	7	50.7 Å²	50.7	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-42.3	-177.6	0	0	0	0	0	112	F55 R56 E57 N63 N64 I66 Y67	F55-A59 WeakPolarHBondContact O-CB 3.38Å; F55-A59 PolarHBondContact O-N 3.19Å; R56-A59 PolarHBondContact O-N 3.21Å; E57-A59 VanDerWaalsContact C-N 3.32Å; E57-A59 PolarHBondContact O-N 3.36Å; A59-N63 CarbonylContact O-C 3.57Å; A59-N64 WeakPolarHBondContact O-CA 3.38Å; A59-N64 PolarHBondContact O-N 3.4Å; A59-N64 VanDerWaalsContact O-N 3.12Å; A59-I66 HydrophobicContact CB-CG2 3.81Å; A59-Y67 HydrophobicContact CB-CD2 4.11Å; A59-Y67 HydrophobicContact CB-CE1 4.03Å; A59-Y67 HydrophobicContact CB-CE2 3.49Å; A59-Y67 VanDerWaalsContact CB-CE2 3.49Å; A59-Y67 VanDerWaalsContact CB-CZ 3.47Å
60	Q	95.3	Very high	96.8	Very high	119 Å²	119	47.8 Å²	47.8	56%	0.556	23%	0.226	S	C	*	.	H	α-helix	trans	-75.1	-35.7	-177.3	-72.2	-180	-24.8	0	0	113.1	R56 E57	R56-Q60 HydrophobicContact CG-CG 4.35Å; R56-Q60 WeakPolarHBondContact O-CB 3.1Å; R56-Q60 VanDerWaalsContact O-CG 3.25Å; R56-Q60 WeakPolarHBondContact O-CG 3.28Å; R56-Q60 PolarHBondContact O-N 3.13Å; E57-Q60 PolarHBondContact O-N 2.99Å
61	H	94.1	Very high	96.8	Very high	91 Å²	91	49.8 Å²	49.8	42%	0.421	24%	0.236	S	C	.	.	H	α-helix	trans	-106	-10.3	-170.8	-64.6	-63.3	0	0	0	114.7	E57 Q243 L265 V268	E57-H61 WeakPolarHBondContact O-CB 3.34Å; E57-H61 PolarHBondContact O-CD2 3.41Å; E57-H61 PolarHBondContact O-N 3.24Å; H61-Q243 PolarHBondContact O-NE2 2.96Å; H61-L265 HydrophobicContact CB-CD1 3.89Å; H61-V268 HydrophobicContact CB-CG2 4.18Å
62	F	94.9	Very high	96.8	Very high	52 Å²	52	50.7 Å²	50.7	23%	0.228	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	-64.2	-179.1	-174.4	-117.6	0	0	0	113.5	Y58 H235 V236 E239 A240	Y58-F62 HydrophobicContact CD2-CD1 4.39Å; Y58-F62 HydrophobicContact CE1-CD1 4.14Å; Y58-F62 AromaticContact CE2-CD1 3.74Å; Y58-F62 HydrophobicContact CE2-CD1 3.74Å; Y58-F62 HydrophobicContact CE2-CE1 4.27Å; Y58-F62 AromaticContact CZ-CD1 3.58Å; Y58-F62 WeakPolarHBondContact O-CA 3.34Å; Y58-F62 WeakPolarHBondContact O-CB 3.34Å; Y58-F62 PolarHBondContact O-N 3.22Å; F62-H235 HydrophobicContact CE1-CB 4.09Å; F62-H235 AromaticContact CE1-CD2 3.99Å; F62-H235 AromaticContact CE1-CE1 3.6Å; F62-H235 AromaticContact CE1-CG 3.53Å; F62-H235 AromaticContact CE1-ND1 3.28Å; F62-H235 VanDerWaalsContact CE1-ND1 3.28Å; F62-H235 WeakPolarHBondContact CE1-ND1 3.29Å; F62-H235 AromaticContact CZ-CD2 3.84Å; F62-H235 AromaticContact CZ-CE1 3.84Å; F62-H235 AromaticContact CZ-CG 3.86Å; F62-H235 AromaticContact CZ-ND1 3.87Å; F62-H235 AromaticContact CZ-NE2 3.86Å; F62-V236 HydrophobicContact CD1-CG2 3.38Å; F62-V236 HydrophobicContact CD2-CG2 4.47Å; F62-V236 HydrophobicContact CE1-CB 4.22Å; F62-V236 HydrophobicContact CE1-CG2 3.41Å; F62-V236 VanDerWaalsContact CE1-CG2 3.41Å; F62-V236 HydrophobicContact CG-CG2 3.93Å; F62-V236 HydrophobicContact CZ-CB 4.43Å; F62-V236 HydrophobicContact CZ-CG2 4.05Å; F62-E239 HydrophobicContact CZ-CB 4.24Å; F62-A240 HydrophobicContact CD2-CB 4.02Å; F62-A240 HydrophobicContact CE2-CB 3.59Å
63	N	94.9	Very high	96.8	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	23%	0.232	C	C	.	.			trans	-152.7	103	-176.1	-175.9	1.2	0	0	0	113	Y58 A59 G65 I66 M109 H235	Y58-N63 HydrophobicContact CE1-CB 4.01Å; Y58-N63 WeakPolarHBondContact CE1-O 3.5Å; Y58-N63 PolarHBondContact O-N 3.44Å; A59-N63 CarbonylContact O-C 3.57Å; N63-G65 PolarHBondContact O-N 3.12Å; N63-G65 WeakPolarHBondContact OD1-CA 3.47Å; N63-G65 PolarHBondContact OD1-N 3.37Å; N63-I66 WeakPolarHBondContact O-CG2 3.41Å; N63-I66 PolarHBondContact O-N 3.47Å; N63-M109 WeakPolarHBondContact ND2-CG 3.35Å; N63-M109 PolarHBondContact ND2-SD 3.42Å; N63-M109 VanDerWaalsContact ND2-SD 3.41Å; N63-H235 PolarHBondContact ND2-CE1 3.38Å
64	N	96.1	Very high	96.9	Very high	114 Å²	114	43.4 Å²	43.4	61%	0.61	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.6	177.5	69.1	-6.4	0	0	0	114.2	A59 I66 Y67	A59-N64 WeakPolarHBondContact O-CA 3.38Å; A59-N64 PolarHBondContact O-N 3.4Å; A59-N64 VanDerWaalsContact O-N 3.12Å; N64-I66 PolarHBondContact O-N 2.94Å; N64-Y67 PolarHBondContact O-N 2.97Å; N64-Y67 VanDerWaalsContact O-N 3.12Å
65	G	95.8	Very high	97	Very high	17 Å²	17	45.1 Å²	45.1	18%	0.175	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.5	176.9	0	0	0	0	0	112.9	N63 Y67 L68 M109	N63-G65 PolarHBondContact O-N 3.12Å; N63-G65 WeakPolarHBondContact OD1-CA 3.47Å; N63-G65 PolarHBondContact OD1-N 3.37Å; G65-Y67 PolarHBondContact O-N 3.02Å; G65-Y67 VanDerWaalsContact O-N 3.14Å; G65-L68 VanDerWaalsContact O-CB 3.25Å; G65-L68 WeakPolarHBondContact O-CB 3.44Å; G65-L68 PolarHBondContact O-N 3.46Å; G65-M109 WeakPolarHBondContact O-CE 3.39Å
66	I	97.4	Very high	97	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54	-32.1	175.8	-168.3	49.4	0	0	0	113.2	F55 Y58 A59 N63 N64 L68 I69 W70 W110	F55-I66 HydrophobicContact CB-CG1 4.44Å; F55-I66 HydrophobicContact CB-CG2 4.45Å; F55-I66 HydrophobicContact CD1-CG1 3.96Å; F55-I66 HydrophobicContact CG-CG1 4.34Å; Y58-I66 HydrophobicContact CD1-CB 4.03Å; Y58-I66 HydrophobicContact CD1-CG1 4.38Å; Y58-I66 HydrophobicContact CD1-CG2 3.8Å; Y58-I66 HydrophobicContact CE1-CB 3.9Å; Y58-I66 HydrophobicContact CE1-CG1 4.34Å; Y58-I66 HydrophobicContact CE1-CG2 4.16Å; A59-I66 HydrophobicContact CB-CG2 3.81Å; N63-I66 WeakPolarHBondContact O-CG2 3.41Å; N63-I66 PolarHBondContact O-N 3.47Å; N64-I66 PolarHBondContact O-N 2.94Å; I66-L68 VanDerWaalsContact C-N 3.28Å; I66-L68 PolarHBondContact O-N 3.19Å; I66-I69 HydrophobicContact CD1-CB 4.37Å; I66-I69 WeakPolarHBondContact O-CB 3.22Å; I66-I69 PolarHBondContact O-N 3.44Å; I66-I69 VanDerWaalsContact O-N 3.16Å; I66-W70 HydrophobicContact CD1-CZ2 3.86Å; I66-W70 HydrophobicContact CG1-CZ2 4.16Å; I66-W70 PolarHBondContact O-N 2.73Å; I66-W110 HydrophobicContact CD1-CH2 3.83Å; I66-W110 HydrophobicContact CD1-CZ2 3.41Å; I66-W110 VanDerWaalsContact CD1-CZ2 3.41Å
67	Y	98.2	Very high	97.1	Very high	72 Å²	72	38.7 Å²	38.7	28%	0.282	20%	0.198	S	C	.	.	H	α-helix	trans	-65.7	-32	176.2	-66.5	-35.5	0	0	0	112.9	M52 R56 A59 N64 G65 I69 W70 I71	M52-Y67 HydrophobicContact CB-CD1 4.15Å; M52-Y67 HydrophobicContact CB-CE1 4.06Å; M52-Y67 HydrophobicContact CG-CD1 4.02Å; M52-Y67 HydrophobicContact CG-CE1 4.43Å; M52-Y67 VanDerWaalsContact O-CE1 3.26Å; M52-Y67 WeakPolarHBondContact O-CE1 3.39Å; M52-Y67 PolarHBondContact O-OH 3.45Å; R56-Y67 VanDerWaalsContact CA-OH 3.31Å; R56-Y67 WeakPolarHBondContact CA-OH 3.45Å; A59-Y67 HydrophobicContact CB-CD2 4.11Å; A59-Y67 HydrophobicContact CB-CE1 4.03Å; A59-Y67 HydrophobicContact CB-CE2 3.49Å; A59-Y67 VanDerWaalsContact CB-CE2 3.49Å; A59-Y67 VanDerWaalsContact CB-CZ 3.47Å; N64-Y67 PolarHBondContact O-N 2.97Å; N64-Y67 VanDerWaalsContact O-N 3.12Å; G65-Y67 PolarHBondContact O-N 3.02Å; G65-Y67 VanDerWaalsContact O-N 3.14Å; Y67-I69 VanDerWaalsContact C-N 3.3Å; Y67-I69 PolarHBondContact O-N 3.21Å; Y67-W70 PolarHBondContact O-N 3.3Å; Y67-I71 WeakPolarHBondContact O-CB 3.25Å; Y67-I71 WeakPolarHBondContact O-CG1 3.35Å; Y67-I71 PolarHBondContact O-N 3.13Å
68	L	98.1	Very high	97.3	Very high	86 Å²	86	41.5 Å²	41.5	45%	0.45	21%	0.213	S	C	.	.	H	α-helix	trans	-62.6	-39.9	174	-178	59.1	0	0	0	111	G65 I66 I71 L72	G65-L68 VanDerWaalsContact O-CB 3.25Å; G65-L68 WeakPolarHBondContact O-CB 3.44Å; G65-L68 PolarHBondContact O-N 3.46Å; I66-L68 VanDerWaalsContact C-N 3.28Å; I66-L68 PolarHBondContact O-N 3.19Å; L68-I71 PolarHBondContact O-N 2.92Å; L68-L72 HydrophobicContact CD1-CD1 4.16Å; L68-L72 HydrophobicContact CD1-CG 4.17Å; L68-L72 HydrophobicContact CG-CD1 3.97Å; L68-L72 HydrophobicContact CG-CG 4.43Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 2.88Å
69	I	98.1	Very high	97.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-47.7	176.5	-59.7	-64.6	0	0	0	110.6	I66 Y67 I71 L72 L73 C105 A106 M109 W110	I66-I69 HydrophobicContact CD1-CB 4.37Å; I66-I69 WeakPolarHBondContact O-CB 3.22Å; I66-I69 PolarHBondContact O-N 3.44Å; I66-I69 VanDerWaalsContact O-N 3.16Å; Y67-I69 VanDerWaalsContact C-N 3.3Å; Y67-I69 PolarHBondContact O-N 3.21Å; I69-I71 PolarHBondContact O-N 2.91Å; I69-L72 PolarHBondContact O-N 3.49Å; I69-L73 PolarHBondContact O-N 3.15Å; I69-C105 HydrophobicContact CD1-CB 3.5Å; I69-A106 HydrophobicContact CD1-CB 4.12Å; I69-M109 HydrophobicContact CD1-CE 4.15Å; I69-M109 HydrophobicContact CG1-CE 3.67Å; I69-W110 HydrophobicContact CG1-CH2 4.31Å; I69-W110 HydrophobicContact CG2-CH2 4.32Å
70	W	98.4	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-40.1	178.9	-58.3	149.2	0	0	0	112.6	P48 L51 M52 F55 I66 Y67 L73 V74 Y225 C228	P48-W70 HydrophobicContact CB-CB 4.09Å; P48-W70 VanDerWaalsContact CB-O 3.3Å; P48-W70 WeakPolarHBondContact CB-O 3.1Å; L51-W70 HydrophobicContact CB-CD2 3.96Å; L51-W70 HydrophobicContact CB-CE3 4.48Å; L51-W70 HydrophobicContact CB-CG 4.32Å; L51-W70 HydrophobicContact CB-CH2 4.43Å; L51-W70 HydrophobicContact CB-CZ2 3.92Å; L51-W70 HydrophobicContact CD1-CD2 4.42Å; L51-W70 HydrophobicContact CD1-CE3 4.11Å; L51-W70 HydrophobicContact CD1-CH2 3.84Å; L51-W70 HydrophobicContact CD1-CZ2 4.17Å; L51-W70 HydrophobicContact CD1-CZ3 3.81Å; L51-W70 HydrophobicContact CD2-CZ2 4.44Å; L51-W70 HydrophobicContact CG-CZ2 4.41Å; M52-W70 VanDerWaalsContact CE-C 3.48Å; M52-W70 HydrophobicContact CE-CB 3.5Å; M52-W70 VanDerWaalsContact CE-CB 3.5Å; M52-W70 HydrophobicContact CG-CB 3.63Å; M52-W70 HydrophobicContact CG-CG 4.06Å; M52-W70 HydrophobicContact SD-CB 4.44Å; F55-W70 AromaticContact CD2-CZ2 3.94Å; F55-W70 HydrophobicContact CD2-CZ2 3.94Å; F55-W70 AromaticContact CE2-CZ2 3.82Å; F55-W70 HydrophobicContact CE2-CZ2 3.82Å; F55-W70 HydrophobicContact CG-CZ2 4.35Å; F55-W70 AromaticContact CG-NE1 3.96Å; F55-W70 HydrophobicContact CZ-CZ2 4.14Å; I66-W70 HydrophobicContact CD1-CZ2 3.86Å; I66-W70 HydrophobicContact CG1-CZ2 4.16Å; I66-W70 PolarHBondContact O-N 2.73Å; Y67-W70 PolarHBondContact O-N 3.3Å; W70-L73 HydrophobicContact CE3-CD1 3.69Å; W70-L73 HydrophobicContact CZ3-CD1 3.79Å; W70-L73 PolarHBondContact O-N 3.45Å; W70-V74 PolarHBondContact O-N 2.81Å; W70-Y225 HydrophobicContact CH2-CD2 4.45Å; W70-C228 HydrophobicContact CH2-CB 3.4Å; W70-C228 HydrophobicContact CZ2-CB 4.45Å; W70-C228 HydrophobicContact CZ3-CB 3.65Å
71	I	98.6	Very high	97.6	Very high	87 Å²	87	37.5 Å²	37.5	45%	0.446	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-46.1	174.5	-69.7	165.7	0	0	0	109.9	M52 Y67 L68 I69 L73 V74 V75	M52-I71 HydrophobicContact CE-CB 4.31Å; M52-I71 HydrophobicContact CE-CG1 3.54Å; Y67-I71 WeakPolarHBondContact O-CB 3.25Å; Y67-I71 WeakPolarHBondContact O-CG1 3.35Å; Y67-I71 PolarHBondContact O-N 3.13Å; L68-I71 PolarHBondContact O-N 2.92Å; I69-I71 PolarHBondContact O-N 2.91Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 2.97Å; I71-V74 WeakPolarHBondContact O-CB 3.41Å; I71-V74 PolarHBondContact O-N 3.05Å; I71-V75 HydrophobicContact CG2-CG2 4.47Å; I71-V75 WeakPolarHBondContact O-CG2 3.29Å; I71-V75 PolarHBondContact O-N 3.38Å
72	L	98.4	Very high	97.8	Very high	19 Å²	19	37.2 Å²	37.2	10%	0.099	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-33.7	179.4	-72.6	170.2	0	0	0	112.6	L68 I69 V74 V75 V76 W101 V102 C105	L68-L72 HydrophobicContact CD1-CD1 4.16Å; L68-L72 HydrophobicContact CD1-CG 4.17Å; L68-L72 HydrophobicContact CG-CD1 3.97Å; L68-L72 HydrophobicContact CG-CG 4.43Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 2.88Å; I69-L72 PolarHBondContact O-N 3.49Å; L72-V74 VanDerWaalsContact C-N 3.33Å; L72-V74 PolarHBondContact O-N 3.24Å; L72-V75 CarbonylContact O-C 3.41Å; L72-V75 WeakPolarHBondContact O-CB 3.27Å; L72-V75 PolarHBondContact O-N 3.16Å; L72-V75 VanDerWaalsContact O-N 3.16Å; L72-V76 WeakPolarHBondContact O-CG2 3.21Å; L72-V76 PolarHBondContact O-N 3.14Å; L72-W101 HydrophobicContact CD1-CB 4.38Å; L72-W101 HydrophobicContact CD2-CB 4.14Å; L72-W101 HydrophobicContact CD2-CE3 4.26Å; L72-V102 HydrophobicContact CB-CG2 3.51Å; L72-C105 HydrophobicContact CD1-CB 4.03Å; L72-C105 VanDerWaalsContact CD1-SG 3.55Å
73	L	98.4	Very high	97.9	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-36.7	171.3	-72.9	-177.2	0	0	0	112.5	F44 P48 I69 W70 I71 V75 V76 G77 V102	F44-L73 HydrophobicContact CD1-CB 4.38Å; F44-L73 VanDerWaalsContact CD1-O 3.28Å; F44-L73 WeakPolarHBondContact CD1-O 3.28Å; F44-L73 HydrophobicContact CE1-CD2 4.21Å; P48-L73 HydrophobicContact CB-CB 4.39Å; P48-L73 HydrophobicContact CG-CB 3.77Å; P48-L73 HydrophobicContact CG-CD1 4.42Å; I69-L73 PolarHBondContact O-N 3.15Å; W70-L73 HydrophobicContact CE3-CD1 3.69Å; W70-L73 HydrophobicContact CZ3-CD1 3.79Å; W70-L73 PolarHBondContact O-N 3.45Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 2.97Å; L73-V75 VanDerWaalsContact C-N 3.32Å; L73-V76 WeakPolarHBondContact O-CB 3.25Å; L73-V76 PolarHBondContact O-N 3.44Å; L73-G77 PolarHBondContact O-N 3.37Å; L73-G77 VanDerWaalsContact O-N 3.09Å; L73-V102 HydrophobicContact CD2-CG1 3.98Å; L73-V102 HydrophobicContact CD2-CG2 4.06Å
74	V	98.7	Very high	98.1	Very high	31 Å²	31	33.9 Å²	33.9	19%	0.188	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-40	171.6	-178.9	0	0	0	0	110.4	F45 P48 W70 I71 L72 V76 G77 I78	F45-V74 HydrophobicContact CD1-CG1 4.17Å; F45-V74 HydrophobicContact CE1-CG1 4.4Å; P48-V74 HydrophobicContact CB-CG2 3.74Å; P48-V74 HydrophobicContact CG-CG2 4.04Å; W70-V74 PolarHBondContact O-N 2.81Å; I71-V74 WeakPolarHBondContact O-CB 3.41Å; I71-V74 PolarHBondContact O-N 3.05Å; L72-V74 VanDerWaalsContact C-N 3.33Å; L72-V74 PolarHBondContact O-N 3.24Å; V74-V76 VanDerWaalsContact C-N 3.31Å; V74-V76 PolarHBondContact O-N 3.33Å; V74-G77 WeakPolarHBondContact O-CA 3.32Å; V74-G77 PolarHBondContact O-N 3.19Å; V74-G77 VanDerWaalsContact O-N 3.12Å; V74-I78 HydrophobicContact CG1-CD1 4.08Å; V74-I78 HydrophobicContact CG1-CG1 4.43Å; V74-I78 WeakPolarHBondContact O-CG1 3.2Å; V74-I78 PolarHBondContact O-N 3.45Å
75	V	98.6	Very high	98.2	Very high	50 Å²	50	29.4 Å²	29.4	30%	0.303	16%	0.156	S	C	.	.	H	α-helix	trans	-62	-38.2	175.8	176.8	0	0	0	0	111.5	I71 L72 L73 I78 G79 A98	I71-V75 HydrophobicContact CG2-CG2 4.47Å; I71-V75 WeakPolarHBondContact O-CG2 3.29Å; I71-V75 PolarHBondContact O-N 3.38Å; L72-V75 CarbonylContact O-C 3.41Å; L72-V75 WeakPolarHBondContact O-CB 3.27Å; L72-V75 PolarHBondContact O-N 3.16Å; L72-V75 VanDerWaalsContact O-N 3.16Å; L73-V75 VanDerWaalsContact C-N 3.32Å; V75-I78 PolarHBondContact O-N 2.9Å; V75-G79 PolarHBondContact O-N 3.39Å; V75-A98 HydrophobicContact CG1-CB 3.96Å
76	V	98.6	Very high	98.2	Very high	6 Å²	6	30 Å²	30	4%	0.036	16%	0.156	C	C	.	.	H	α-helix	trans	-57.8	-50.4	170.2	171.5	0	0	0	0	110.2	F44 L72 L73 V74 I78 G79 S80 A98 I99 V102	F44-V76 HydrophobicContact CD1-CB 4.39Å; F44-V76 HydrophobicContact CD1-CG1 4.25Å; F44-V76 HydrophobicContact CE1-CB 4.32Å; F44-V76 HydrophobicContact CE1-CG1 3.83Å; F44-V76 HydrophobicContact CZ-CG1 3.99Å; L72-V76 WeakPolarHBondContact O-CG2 3.21Å; L72-V76 PolarHBondContact O-N 3.14Å; L73-V76 WeakPolarHBondContact O-CB 3.25Å; L73-V76 PolarHBondContact O-N 3.44Å; V74-V76 VanDerWaalsContact C-N 3.31Å; V74-V76 PolarHBondContact O-N 3.33Å; V76-I78 VanDerWaalsContact C-N 3.32Å; V76-I78 PolarHBondContact O-N 2.95Å; V76-G79 PolarHBondContact O-N 3.5Å; V76-S80 WeakPolarHBondContact O-CB 3.47Å; V76-S80 PolarHBondContact O-N 3.42Å; V76-A98 HydrophobicContact CB-CB 4.33Å; V76-A98 HydrophobicContact CG2-CB 3.62Å; V76-I99 HydrophobicContact CG1-CD1 4.45Å; V76-I99 HydrophobicContact CG1-CG1 3.78Å; V76-I99 HydrophobicContact CG2-CG1 3.9Å; V76-V102 HydrophobicContact CG2-CG2 3.92Å
77	G	98.5	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.1	-42.4	177.1	0	0	0	0	0	113.4	F45 L73 V74 T81	F45-G77 VanDerWaalsContact CZ-C 3.45Å; L73-G77 PolarHBondContact O-N 3.37Å; L73-G77 VanDerWaalsContact O-N 3.09Å; V74-G77 WeakPolarHBondContact O-CA 3.32Å; V74-G77 PolarHBondContact O-N 3.19Å; V74-G77 VanDerWaalsContact O-N 3.12Å; G77-T81 WeakPolarHBondContact O-CB 3.36Å; G77-T81 PolarHBondContact O-N 3.27Å; G77-T81 PolarHBondContact O-OG1 3.49Å
78	I	98.6	Very high	98.1	Very high	92 Å²	92	26.9 Å²	26.9	47%	0.472	14%	0.144	S	C	.	.	H	α-helix	trans	-63.4	-49.5	176	-66.7	166.9	0	0	0	110.8	F45 V74 V75 V76 T81 Y82	F45-I78 HydrophobicContact CE1-CG1 3.55Å; F45-I78 HydrophobicContact CZ-CG1 3.96Å; V74-I78 HydrophobicContact CG1-CD1 4.08Å; V74-I78 HydrophobicContact CG1-CG1 4.43Å; V74-I78 WeakPolarHBondContact O-CG1 3.2Å; V74-I78 PolarHBondContact O-N 3.45Å; V75-I78 PolarHBondContact O-N 2.9Å; V76-I78 VanDerWaalsContact C-N 3.32Å; V76-I78 PolarHBondContact O-N 2.95Å; I78-T81 PolarHBondContact O-N 2.86Å; I78-Y82 VanDerWaalsContact O-CB 3.3Å; I78-Y82 WeakPolarHBondContact O-CB 3.04Å; I78-Y82 PolarHBondContact O-N 3.21Å
79	G	98.1	Very high	97.8	Very high	3 Å²	3	24 Å²	24	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-58.8	-52.6	179.7	0	0	0	0	0	111.7	V75 V76 Y82 F83	V75-G79 PolarHBondContact O-N 3.39Å; V76-G79 PolarHBondContact O-N 3.5Å; G79-Y82 PolarHBondContact O-N 3.23Å; G79-F83 WeakPolarHBondContact O-CB 3.38Å; G79-F83 PolarHBondContact O-N 3.25Å
80	S	98.3	Very high	97.5	Very high	2 Å²	2	26 Å²	26	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-45.6	178.7	-173	0	0	0	0	112.1	N41 V76 Y82 F83 H84 D95 H217	N41-S80 PolarHBondContact ND2-OG 3.44Å; N41-S80 VanDerWaalsContact OD1-CB 3.3Å; N41-S80 WeakPolarHBondContact OD1-CB 3.35Å; N41-S80 PolarHBondContact OD1-OG 2.88Å; N41-S80 VanDerWaalsContact OD1-OG 3.14Å; V76-S80 WeakPolarHBondContact O-CB 3.47Å; V76-S80 PolarHBondContact O-N 3.42Å; S80-Y82 VanDerWaalsContact C-N 3.33Å; S80-Y82 PolarHBondContact O-N 3.34Å; S80-F83 PolarHBondContact O-N 2.91Å; S80-H84 PolarHBondContact O-CD2 3.29Å; S80-H84 PolarHBondContact O-N 2.92Å; S80-H84 PolarHBondContact OG-CD2 2.84Å; S80-H84 VanDerWaalsContact OG-CD2 3.23Å; S80-H84 PolarHBondContact OG-NE2 3.39Å; S80-D95 WeakPolarHBondContact CB-OD1 3.34Å; S80-H217 PolarHBondContact OG-NE2 2.89Å
81	T	98.5	Very high	97.3	Very high	38 Å²	38	26 Å²	26	23%	0.233	14%	0.139	C	C	.	.	H	α-helix	trans	-59.5	-45.2	176.3	-57	0	0	0	0	111.2	T38 N41 F45 G77 I78 A85	T38-T81 HydrophobicContact CG2-CG2 3.63Å; N41-T81 WeakPolarHBondContact CB-OG1 3.22Å; F45-T81 WeakPolarHBondContact CE2-OG1 3.38Å; G77-T81 WeakPolarHBondContact O-CB 3.36Å; G77-T81 PolarHBondContact O-N 3.27Å; G77-T81 PolarHBondContact O-OG1 3.49Å; I78-T81 PolarHBondContact O-N 2.86Å; T81-A85 WeakPolarHBondContact O-CB 3.41Å; T81-A85 PolarHBondContact O-N 2.94Å
82	Y	98	Very high	97.1	Very high	85 Å²	85	22.2 Å²	22.2	33%	0.333	12%	0.119	S	C	.	.	H	α-helix	trans	-66.4	-40.4	178.6	-179.7	-100.3	0	0	0	111.8	I78 G79 S80 T86 S88	I78-Y82 VanDerWaalsContact O-CB 3.3Å; I78-Y82 WeakPolarHBondContact O-CB 3.04Å; I78-Y82 PolarHBondContact O-N 3.21Å; G79-Y82 PolarHBondContact O-N 3.23Å; S80-Y82 VanDerWaalsContact C-N 3.33Å; S80-Y82 PolarHBondContact O-N 3.34Å; Y82-T86 HydrophobicContact CD2-CG2 4.28Å; Y82-T86 HydrophobicContact CE2-CG2 3.98Å; Y82-T86 WeakPolarHBondContact O-CB 3.41Å; Y82-T86 WeakPolarHBondContact O-CG2 3.38Å; Y82-T86 PolarHBondContact O-N 2.94Å; Y82-T86 PolarHBondContact O-OG1 2.9Å; Y82-S88 VanDerWaalsContact CE1-OG 3.28Å; Y82-S88 WeakPolarHBondContact CE1-OG 3.4Å
83	F	97.9	Very high	96.9	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.013	12%	0.115	C	C	.	.	H	α-helix	trans	-60.8	-57.2	175.6	176	-133.6	0	0	0	111.3	S17 V19 W21 G79 S80 A85 T86 L87 Q92 D95	S17-F83 WeakPolarHBondContact OG-CE2 3.48Å; V19-F83 HydrophobicContact CB-CZ 4.11Å; V19-F83 HydrophobicContact CG1-CZ 4.02Å; W21-F83 AromaticContact NE1-CE1 3.44Å; W21-F83 AromaticContact NE1-CZ 3.98Å; G79-F83 WeakPolarHBondContact O-CB 3.38Å; G79-F83 PolarHBondContact O-N 3.25Å; S80-F83 PolarHBondContact O-N 2.91Å; F83-A85 PolarHBondContact O-N 3.4Å; F83-T86 PolarHBondContact O-N 3Å; F83-L87 HydrophobicContact CE2-CD2 3.91Å; F83-L87 HydrophobicContact CZ-CD2 4.03Å; F83-L87 VanDerWaalsContact O-CA 3.3Å; F83-L87 WeakPolarHBondContact O-CA 3.45Å; F83-L87 PolarHBondContact O-N 3.29Å; F83-Q92 HydrophobicContact CD2-CB 3.87Å; F83-Q92 VanDerWaalsContact CD2-N 3.31Å; F83-Q92 HydrophobicContact CE2-CB 3.71Å; F83-Q92 HydrophobicContact CE2-CG 4.21Å; F83-Q92 HydrophobicContact CZ-CB 4.19Å; F83-Q92 HydrophobicContact CZ-CG 4.2Å; F83-D95 HydrophobicContact CB-CB 4.29Å
84	H	98.3	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.2	-25.2	-177.4	-67.2	-65.4	0	0	0	113.5	W21 E34 N37 T38 S80 H213 H217	W21-H84 AromaticContact CD1-CE1 3.43Å; W21-H84 VanDerWaalsContact CD1-CE1 3.43Å; W21-H84 AromaticContact CD1-ND1 3.79Å; W21-H84 AromaticContact NE1-CE1 3.41Å; W21-H84 PolarHBondContact NE1-CE1 3.44Å; E34-H84 HydrophobicContact CB-CB 4.3Å; E34-H84 PolarHBondContact N-O 3.14Å; E34-H84 IonicContact OE2-CE1 3.5Å; E34-H84 IonicContact OE2-CG 3.8Å; E34-H84 IonicContact OE2-ND1 2.65Å; E34-H84 PolarHBondContact OE2-ND1 3.48Å; N37-H84 HydrophobicContact CB-CB 3.95Å; T38-H84 WeakPolarHBondContact OG1-CB 3.4Å; T38-H84 PolarHBondContact OG1-O 2.79Å; S80-H84 PolarHBondContact O-CD2 3.29Å; S80-H84 PolarHBondContact O-N 2.92Å; S80-H84 PolarHBondContact OG-CD2 2.84Å; S80-H84 VanDerWaalsContact OG-CD2 3.23Å; S80-H84 PolarHBondContact OG-NE2 3.39Å; H84-H213 AromaticContact CE1-CD2 3.39Å; H84-H213 PolarHBondContact CE1-CD2 3.33Å; H84-H213 AromaticContact CE1-NE2 3.38Å; H84-H213 PolarHBondContact CE1-NE2 2.92Å; H84-H213 AromaticContact NE2-CD2 3.77Å; H84-H213 AromaticContact NE2-NE2 3.53Å; H84-H217 AromaticContact CD2-CE1 3.47Å; H84-H217 PolarHBondContact CD2-CE1 3.39Å; H84-H217 VanDerWaalsContact CD2-CE1 3.47Å; H84-H217 AromaticContact CD2-NE2 3.88Å; H84-H217 AromaticContact CE1-CE1 3.9Å; H84-H217 AromaticContact NE2-CE1 3.15Å; H84-H217 PolarHBondContact NE2-CE1 3.38Å; H84-H217 AromaticContact NE2-NE2 3.2Å; H84-H217 PolarHBondContact NE2-NE2 2.77Å
85	A	97.9	Very high	96.5	Very high	20 Å²	20	23.4 Å²	23.4	17%	0.165	12%	0.124	C	C	.	.	H	α-helix	trans	-72.6	-30.3	173.7	0	0	0	0	0	112.9	I32 A33 T38 T81 F83	I32-A85 HydrophobicContact CG2-CB 4.31Å; A33-A85 PolarHBondContact N-O 3.5Å; T38-A85 HydrophobicContact CG2-CB 4.15Å; T38-A85 PolarHBondContact OG1-N 2.89Å; T81-A85 WeakPolarHBondContact O-CB 3.41Å; T81-A85 PolarHBondContact O-N 2.94Å; F83-A85 PolarHBondContact O-N 3.4Å
86	T	96.9	Very high	96.3	Very high	28 Å²	28	22.4 Å²	22.4	17%	0.172	12%	0.116	C	C	.	.	H	α-helix	trans	-117.3	-24.4	-169.4	62.8	0	0	0	0	114.7	A14 G15 Y82 F83 S88	A14-T86 CarbonylContact C-O 3.52Å; A14-T86 WeakPolarHBondContact CA-O 3.38Å; A14-T86 VanDerWaalsContact CB-O 3.27Å; A14-T86 WeakPolarHBondContact CB-O 3.12Å; G15-T86 PolarHBondContact N-O 3.17Å; Y82-T86 HydrophobicContact CD2-CG2 4.28Å; Y82-T86 HydrophobicContact CE2-CG2 3.98Å; Y82-T86 WeakPolarHBondContact O-CB 3.41Å; Y82-T86 WeakPolarHBondContact O-CG2 3.38Å; Y82-T86 PolarHBondContact O-N 2.94Å; Y82-T86 PolarHBondContact O-OG1 2.9Å; F83-T86 PolarHBondContact O-N 3Å; T86-S88 PolarHBondContact O-N 3.42Å; T86-S88 WeakPolarHBondContact OG1-CB 3.21Å; T86-S88 PolarHBondContact OG1-N 3.02Å; T86-S88 PolarHBondContact OG1-OG 3.34Å
87	L	96.9	Very high	96.1	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.037	12%	0.115	C	C	.	.			trans	45.6	38.7	-162.7	-65.3	175.6	0	0	0	112.7	G15 S16 S17 D20 N25 A33 E34 F83	G15-L87 CarbonylContact C-O 3.59Å; G15-L87 VanDerWaalsContact CA-O 3.22Å; G15-L87 WeakPolarHBondContact CA-O 3.38Å; G15-L87 PolarHBondContact N-O 3.35Å; G15-L87 VanDerWaalsContact N-O 3.14Å; S16-L87 PolarHBondContact N-O 3.41Å; S17-L87 WeakPolarHBondContact CB-O 3.39Å; S17-L87 PolarHBondContact N-O 2.98Å; D20-L87 WeakPolarHBondContact OD1-CD1 3.13Å; N25-L87 WeakPolarHBondContact ND2-CD1 3.27Å; N25-L87 VanDerWaalsContact OD1-CD1 3.28Å; N25-L87 WeakPolarHBondContact OD1-CD1 3.3Å; A33-L87 HydrophobicContact CB-CD1 3.85Å; A33-L87 HydrophobicContact CB-CG 3.83Å; E34-L87 HydrophobicContact CG-CD1 4.43Å; E34-L87 HydrophobicContact CG-CD2 4.44Å; F83-L87 HydrophobicContact CE2-CD2 3.91Å; F83-L87 HydrophobicContact CZ-CD2 4.03Å; F83-L87 VanDerWaalsContact O-CA 3.3Å; F83-L87 WeakPolarHBondContact O-CA 3.45Å; F83-L87 PolarHBondContact O-N 3.29Å
88	S	95.6	Very high	96	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.			trans	-84.7	148.2	177.2	62.6	0	0	0	0	111.8	Q13 S16 Y82 T86 L90 G91 Q92	Q13-S88 WeakPolarHBondContact O-CB 3.14Å; S16-S88 WeakPolarHBondContact OG-CA 3.26Å; Y82-S88 VanDerWaalsContact CE1-OG 3.28Å; Y82-S88 WeakPolarHBondContact CE1-OG 3.4Å; T86-S88 PolarHBondContact O-N 3.42Å; T86-S88 WeakPolarHBondContact OG1-CB 3.21Å; T86-S88 PolarHBondContact OG1-N 3.02Å; T86-S88 PolarHBondContact OG1-OG 3.34Å; S88-L90 VanDerWaalsContact C-N 3.32Å; S88-L90 PolarHBondContact O-N 3.45Å; S88-G91 WeakPolarHBondContact O-CA 3.23Å; S88-G91 PolarHBondContact O-N 3.28Å; S88-G91 VanDerWaalsContact O-N 3.07Å; S88-G91 PolarHBondContact OG-N 3.39Å; S88-Q92 PolarHBondContact O-N 3.08Å
89	F	92.6	Very high	95.9	Very high	25 Å²	25	19.7 Å²	19.7	11%	0.11	10%	0.102	C	C	.	.	H	α-helix	trans	-58	-44	175.5	175.3	-102.7	0	0	0	112	Q11 S16 G91 Q92 M93 P146	Q11-F89 HydrophobicContact CB-CB 4.47Å; Q11-F89 HydrophobicContact CB-CD1 3.94Å; Q11-F89 HydrophobicContact CG-CD1 3.77Å; Q11-F89 HydrophobicContact CG-CE1 4.41Å; S16-F89 PolarHBondContact OG-N 2.92Å; F89-G91 VanDerWaalsContact C-N 3.28Å; F89-G91 PolarHBondContact O-N 2.83Å; F89-Q92 WeakPolarHBondContact O-CB 3.16Å; F89-Q92 PolarHBondContact O-N 2.91Å; F89-M93 HydrophobicContact CD1-CG 4.33Å; F89-M93 HydrophobicContact CE1-CG 3.78Å; F89-M93 HydrophobicContact CE2-CE 4.06Å; F89-M93 HydrophobicContact CE2-CG 3.97Å; F89-M93 HydrophobicContact CE2-SD 4.14Å; F89-M93 HydrophobicContact CZ-CE 4.43Å; F89-M93 HydrophobicContact CZ-CG 3.57Å; F89-M93 HydrophobicContact CZ-SD 3.91Å; F89-M93 WeakPolarHBondContact O-CG 3.3Å; F89-M93 PolarHBondContact O-N 3.32Å; F89-P146 HydrophobicContact CE2-CB 4.16Å; F89-P146 HydrophobicContact CE2-CG 3.41Å; F89-P146 VanDerWaalsContact CE2-CG 3.41Å; F89-P146 HydrophobicContact CZ-CG 3.77Å
90	L	92.1	Very high	95.7	Very high	42 Å²	42	19.9 Å²	19.9	22%	0.22	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-41.5	175.4	-179.2	64.4	0	0	0	111.3	Q11 L12 S88 M93 L94	Q11-L90 PolarHBondContact O-N 2.99Å; Q11-L90 VanDerWaalsContact O-N 3.11Å; L12-L90 HydrophobicContact CD2-CB 4.06Å; L12-L90 HydrophobicContact CD2-CD2 3.22Å; L12-L90 HydrophobicContact CD2-CG 4.25Å; L12-L90 HydrophobicContact CG-CD2 4.44Å; S88-L90 VanDerWaalsContact C-N 3.32Å; S88-L90 PolarHBondContact O-N 3.45Å; L90-M93 PolarHBondContact O-N 2.84Å; L90-L94 HydrophobicContact CD1-CD1 4.4Å; L90-L94 HydrophobicContact CD1-CG 4.23Å; L90-L94 HydrophobicContact CD2-CD1 4.37Å; L90-L94 HydrophobicContact CG-CD1 3.97Å; L90-L94 HydrophobicContact CG-CG 4.25Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 2.88Å
91	G	94.3	Very high	95.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.1	-47.6	176.2	0	0	0	0	0	111.9	S88 F89 M93 L94 D95	S88-G91 WeakPolarHBondContact O-CA 3.23Å; S88-G91 PolarHBondContact O-N 3.28Å; S88-G91 VanDerWaalsContact O-N 3.07Å; S88-G91 PolarHBondContact OG-N 3.39Å; F89-G91 VanDerWaalsContact C-N 3.28Å; F89-G91 PolarHBondContact O-N 2.83Å; G91-M93 VanDerWaalsContact C-N 3.29Å; G91-M93 PolarHBondContact O-N 3.17Å; G91-L94 PolarHBondContact O-N 2.88Å; G91-D95 WeakPolarHBondContact O-CB 2.84Å; G91-D95 PolarHBondContact O-N 2.7Å
92	Q	94.1	Very high	95.5	Very high	8 Å²	8	22 Å²	22	4%	0.037	11%	0.107	C	C	.	.	H	α-helix	trans	-54.6	-47.4	175.3	-171.4	-161.9	-25.1	0	0	111.2	S17 V19 F83 S88 F89 D95 E96	S17-Q92 PolarHBondContact OG-OE1 3.34Å; S17-Q92 VanDerWaalsContact OG-OE1 3.14Å; V19-Q92 HydrophobicContact CG2-CG 4.46Å; F83-Q92 HydrophobicContact CD2-CB 3.87Å; F83-Q92 VanDerWaalsContact CD2-N 3.31Å; F83-Q92 HydrophobicContact CE2-CB 3.71Å; F83-Q92 HydrophobicContact CE2-CG 4.21Å; F83-Q92 HydrophobicContact CZ-CB 4.19Å; F83-Q92 HydrophobicContact CZ-CG 4.2Å; S88-Q92 PolarHBondContact O-N 3.08Å; F89-Q92 WeakPolarHBondContact O-CB 3.16Å; F89-Q92 PolarHBondContact O-N 2.91Å; Q92-D95 PolarHBondContact O-N 3.22Å; Q92-E96 PolarHBondContact NE2-OE1 3.06Å; Q92-E96 WeakPolarHBondContact O-CG 3.3Å; Q92-E96 PolarHBondContact O-N 3.3Å
93	M	93	Very high	95.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-64.3	-42.7	179.7	-68.2	-58	93.8	0	0	112.2	F89 L90 G91 L97 F143 P146	F89-M93 HydrophobicContact CD1-CG 4.33Å; F89-M93 HydrophobicContact CE1-CG 3.78Å; F89-M93 HydrophobicContact CE2-CE 4.06Å; F89-M93 HydrophobicContact CE2-CG 3.97Å; F89-M93 HydrophobicContact CE2-SD 4.14Å; F89-M93 HydrophobicContact CZ-CE 4.43Å; F89-M93 HydrophobicContact CZ-CG 3.57Å; F89-M93 HydrophobicContact CZ-SD 3.91Å; F89-M93 WeakPolarHBondContact O-CG 3.3Å; F89-M93 PolarHBondContact O-N 3.32Å; L90-M93 PolarHBondContact O-N 2.84Å; G91-M93 VanDerWaalsContact C-N 3.29Å; G91-M93 PolarHBondContact O-N 3.17Å; M93-L97 HydrophobicContact CB-CD1 4.31Å; M93-L97 WeakPolarHBondContact O-CB 3.38Å; M93-L97 WeakPolarHBondContact O-CD1 3.25Å; M93-L97 WeakPolarHBondContact O-CG 3.5Å; M93-L97 PolarHBondContact O-N 2.99Å; M93-F143 HydrophobicContact CB-CE1 4.07Å; M93-F143 HydrophobicContact CB-CZ 4.39Å; M93-F143 HydrophobicContact CG-CD1 4.34Å; M93-F143 HydrophobicContact CG-CE1 4.15Å; M93-P146 HydrophobicContact CE-CB 3.7Å; M93-P146 HydrophobicContact CE-CG 4.32Å; M93-P146 HydrophobicContact SD-CB 4.29Å; M93-P146 HydrophobicContact SD-CG 4.44Å
94	L	93.6	Very high	95.3	Very high	67 Å²	67	20.3 Å²	20.3	35%	0.351	10%	0.104	S	C	.	.	H	α-helix	trans	-63.2	-43.4	178.2	-72.7	173	0	0	0	112	L90 G91 A98	L90-L94 HydrophobicContact CD1-CD1 4.4Å; L90-L94 HydrophobicContact CD1-CG 4.23Å; L90-L94 HydrophobicContact CD2-CD1 4.37Å; L90-L94 HydrophobicContact CG-CD1 3.97Å; L90-L94 HydrophobicContact CG-CG 4.25Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 2.88Å; G91-L94 PolarHBondContact O-N 2.88Å; L94-A98 WeakPolarHBondContact O-CB 3.38Å; L94-A98 PolarHBondContact O-N 2.8Å; L94-A98 VanDerWaalsContact O-N 3.09Å
95	D	95.8	Very high	95.2	Very high	14 Å²	14	21.9 Å²	21.9	8%	0.075	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-59.6	177.6	-176	19.7	0	0	0	111.4	S80 F83 G91 Q92 L97 A98 I99	S80-D95 WeakPolarHBondContact CB-OD1 3.34Å; F83-D95 HydrophobicContact CB-CB 4.29Å; G91-D95 WeakPolarHBondContact O-CB 2.84Å; G91-D95 PolarHBondContact O-N 2.7Å; Q92-D95 PolarHBondContact O-N 3.22Å; D95-L97 PolarHBondContact O-N 2.96Å; D95-A98 PolarHBondContact O-N 3.16Å; D95-I99 WeakPolarHBondContact O-CG1 3.5Å; D95-I99 PolarHBondContact O-N 3.44Å
96	E	94.3	Very high	95.1	Very high	30 Å²	30	21.8 Å²	21.8	14%	0.14	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-40.6	-174.9	-66.4	178.2	171.5	0	0	112.9	Q92 I99 L100 N149	Q92-E96 PolarHBondContact NE2-OE1 3.06Å; Q92-E96 WeakPolarHBondContact O-CG 3.3Å; Q92-E96 PolarHBondContact O-N 3.3Å; E96-I99 PolarHBondContact O-N 2.89Å; E96-L100 PolarHBondContact O-N 2.94Å; E96-N149 HydrophobicContact CB-CB 3.97Å; E96-N149 WeakPolarHBondContact OE2-CB 3.17Å; E96-N149 PolarHBondContact OE2-ND2 3.04Å
97	L	94.6	Very high	95.1	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-69.5	-37.5	179	-71.9	170.1	0	0	0	112.2	M93 D95 I99 L100 W101 T139 A142 F143 N149	M93-L97 HydrophobicContact CB-CD1 4.31Å; M93-L97 WeakPolarHBondContact O-CB 3.38Å; M93-L97 WeakPolarHBondContact O-CD1 3.25Å; M93-L97 WeakPolarHBondContact O-CG 3.5Å; M93-L97 PolarHBondContact O-N 2.99Å; D95-L97 PolarHBondContact O-N 2.96Å; L97-I99 VanDerWaalsContact C-N 3.26Å; L97-I99 PolarHBondContact O-N 3.23Å; L97-L100 HydrophobicContact CD2-CD1 4.43Å; L97-L100 PolarHBondContact O-N 3.33Å; L97-L100 VanDerWaalsContact O-N 3.15Å; L97-W101 HydrophobicContact CB-CZ2 4.03Å; L97-W101 PolarHBondContact O-N 3.49Å; L97-T139 HydrophobicContact CD1-CG2 4.04Å; L97-T139 HydrophobicContact CD2-CG2 4.19Å; L97-A142 HydrophobicContact CD2-CB 3.7Å; L97-A142 HydrophobicContact CG-CB 4.43Å; L97-F143 HydrophobicContact CD1-CD2 4.39Å; L97-F143 HydrophobicContact CD1-CE2 3.63Å; L97-F143 HydrophobicContact CD1-CZ 3.86Å; L97-N149 WeakPolarHBondContact CD2-OD1 3.25Å
98	A	96.5	Very high	95	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.4	-39.8	177.7	0	0	0	0	0	111.1	V75 V76 L94 D95 W101 V102	V75-A98 HydrophobicContact CG1-CB 3.96Å; V76-A98 HydrophobicContact CB-CB 4.33Å; V76-A98 HydrophobicContact CG2-CB 3.62Å; L94-A98 WeakPolarHBondContact O-CB 3.38Å; L94-A98 PolarHBondContact O-N 2.8Å; L94-A98 VanDerWaalsContact O-N 3.09Å; D95-A98 PolarHBondContact O-N 3.16Å; A98-W101 HydrophobicContact CB-CE3 4.49Å; A98-W101 PolarHBondContact O-N 3.09Å; A98-V102 WeakPolarHBondContact O-CG2 3.44Å; A98-V102 PolarHBondContact O-N 3.12Å
99	I	96.1	Very high	94.9	Very high	39 Å²	39	22.5 Å²	22.5	20%	0.2	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-45.1	175.7	-59.6	167.7	0	0	0	110.4	V76 D95 E96 L97 W101 V102 L103 L153	V76-I99 HydrophobicContact CG1-CD1 4.45Å; V76-I99 HydrophobicContact CG1-CG1 3.78Å; V76-I99 HydrophobicContact CG2-CG1 3.9Å; D95-I99 WeakPolarHBondContact O-CG1 3.5Å; D95-I99 PolarHBondContact O-N 3.44Å; E96-I99 PolarHBondContact O-N 2.89Å; L97-I99 VanDerWaalsContact C-N 3.26Å; L97-I99 PolarHBondContact O-N 3.23Å; I99-W101 VanDerWaalsContact C-N 3.31Å; I99-W101 PolarHBondContact O-N 3.36Å; I99-V102 WeakPolarHBondContact O-CB 3.45Å; I99-V102 PolarHBondContact O-N 3.28Å; I99-L103 HydrophobicContact CG2-CD1 4.43Å; I99-L103 WeakPolarHBondContact O-CG 3.1Å; I99-L103 PolarHBondContact O-N 3.1Å; I99-L153 HydrophobicContact CB-CD1 4.46Å; I99-L153 HydrophobicContact CG2-CD1 3.47Å; I99-L153 VanDerWaalsContact CG2-CD1 3.47Å; I99-L153 HydrophobicContact CG2-CD2 4.44Å
100	L	94.4	Very high	95.1	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-40.1	176.3	-69.8	176.8	0	0	0	111.8	E96 L97 V102 L103 M104 T138 N149 L153 L156	E96-L100 PolarHBondContact O-N 2.94Å; L97-L100 HydrophobicContact CD2-CD1 4.43Å; L97-L100 PolarHBondContact O-N 3.33Å; L97-L100 VanDerWaalsContact O-N 3.15Å; L100-V102 PolarHBondContact O-N 3.43Å; L100-L103 PolarHBondContact O-N 2.99Å; L100-M104 WeakPolarHBondContact O-CB 3.43Å; L100-M104 WeakPolarHBondContact O-CG 3.43Å; L100-M104 PolarHBondContact O-N 3.23Å; L100-T138 HydrophobicContact CD1-CG2 4.29Å; L100-N149 HydrophobicContact CD1-CB 4.37Å; L100-N149 WeakPolarHBondContact CD1-OD1 3.36Å; L100-L153 HydrophobicContact CD2-CB 4.33Å; L100-L153 HydrophobicContact CD2-CD1 4.48Å; L100-L156 HydrophobicContact CD2-CD1 3.92Å
101	W	96.3	Very high	95.2	Very high	73 Å²	73	22 Å²	22	28%	0.277	11%	0.113	S	C	.	.	H	α-helix	trans	-64.3	-39.4	176.6	-62	-19.3	0	0	0	112.4	L72 L97 A98 I99 M104 C105 T139	L72-W101 HydrophobicContact CD1-CB 4.38Å; L72-W101 HydrophobicContact CD2-CB 4.14Å; L72-W101 HydrophobicContact CD2-CE3 4.26Å; L97-W101 HydrophobicContact CB-CZ2 4.03Å; L97-W101 PolarHBondContact O-N 3.49Å; A98-W101 HydrophobicContact CB-CE3 4.49Å; A98-W101 PolarHBondContact O-N 3.09Å; I99-W101 VanDerWaalsContact C-N 3.31Å; I99-W101 PolarHBondContact O-N 3.36Å; W101-M104 PolarHBondContact O-N 3.01Å; W101-C105 VanDerWaalsContact O-CB 3.27Å; W101-C105 WeakPolarHBondContact O-CB 3.4Å; W101-C105 PolarHBondContact O-N 3Å; W101-C105 PolarHBondContact O-SG 2.95Å; W101-T139 HydrophobicContact CZ2-CG2 4.02Å; W101-T139 PolarHBondContact NE1-OG1 2.86Å
102	V	97.3	Very high	95.2	Very high	11 Å²	11	22.3 Å²	22.3	7%	0.067	12%	0.115	C	C	.	.	H	α-helix	trans	-58.1	-51.6	172.4	174	0	0	0	0	110.1	L72 L73 V76 A98 I99 L100 M104 C105 A106	L72-V102 HydrophobicContact CB-CG2 3.51Å; L73-V102 HydrophobicContact CD2-CG1 3.98Å; L73-V102 HydrophobicContact CD2-CG2 4.06Å; V76-V102 HydrophobicContact CG2-CG2 3.92Å; A98-V102 WeakPolarHBondContact O-CG2 3.44Å; A98-V102 PolarHBondContact O-N 3.12Å; I99-V102 WeakPolarHBondContact O-CB 3.45Å; I99-V102 PolarHBondContact O-N 3.28Å; L100-V102 PolarHBondContact O-N 3.43Å; V102-M104 PolarHBondContact O-N 3.37Å; V102-C105 PolarHBondContact O-N 3.4Å; V102-A106 VanDerWaalsContact O-CB 3.28Å; V102-A106 WeakPolarHBondContact O-CB 3.28Å; V102-A106 PolarHBondContact O-N 3.15Å
103	L	95.7	Very high	95	Very high	38 Å²	38	25.5 Å²	25.5	20%	0.199	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-46	-179	-69.9	174.8	0	0	0	111.9	I99 L100 A106 I107 L153 L156	I99-L103 HydrophobicContact CG2-CD1 4.43Å; I99-L103 WeakPolarHBondContact O-CG 3.1Å; I99-L103 PolarHBondContact O-N 3.1Å; L100-L103 PolarHBondContact O-N 2.99Å; L103-A106 PolarHBondContact O-N 2.87Å; L103-I107 WeakPolarHBondContact O-CB 3.33Å; L103-I107 VanDerWaalsContact O-CG1 3.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.47Å; L103-I107 PolarHBondContact O-N 3.13Å; L103-L153 HydrophobicContact CD1-CD1 3.67Å; L103-L156 HydrophobicContact CD1-CB 4.4Å
104	M	94.8	Very high	94.9	Very high	16 Å²	16	28.8 Å²	28.8	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-42	179.6	-68.3	-65.1	-87	0	0	111.3	L100 W101 V102 I107 A108 I131 L134	L100-M104 WeakPolarHBondContact O-CB 3.43Å; L100-M104 WeakPolarHBondContact O-CG 3.43Å; L100-M104 PolarHBondContact O-N 3.23Å; W101-M104 PolarHBondContact O-N 3.01Å; V102-M104 PolarHBondContact O-N 3.37Å; M104-I107 PolarHBondContact O-N 3.45Å; M104-A108 VanDerWaalsContact O-CB 3.22Å; M104-A108 WeakPolarHBondContact O-CB 3.26Å; M104-A108 PolarHBondContact O-N 2.87Å; M104-I131 HydrophobicContact CB-CG2 4.05Å; M104-I131 HydrophobicContact CE-CG2 3.72Å; M104-I131 WeakPolarHBondContact CE-O 3.33Å; M104-I131 WeakPolarHBondContact O-CG2 3.37Å; M104-I131 HydrophobicContact SD-CG2 4.13Å; M104-L134 HydrophobicContact CE-CB 3.94Å; M104-L134 HydrophobicContact CE-CD2 3.94Å; M104-L134 HydrophobicContact CE-CG 3.81Å
105	C	96.5	Very high	94.8	Very high	33 Å²	33	29.9 Å²	29.9	22%	0.223	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-42.9	174.3	-73	0	0	0	0	112	I69 L72 W101 V102 A108 M109	I69-C105 HydrophobicContact CD1-CB 3.5Å; L72-C105 HydrophobicContact CD1-CB 4.03Å; L72-C105 VanDerWaalsContact CD1-SG 3.55Å; W101-C105 VanDerWaalsContact O-CB 3.27Å; W101-C105 WeakPolarHBondContact O-CB 3.4Å; W101-C105 PolarHBondContact O-N 3Å; W101-C105 PolarHBondContact O-SG 2.95Å; V102-C105 PolarHBondContact O-N 3.4Å; C105-A108 PolarHBondContact O-N 3.19Å; C105-M109 WeakPolarHBondContact O-CB 3.5Å; C105-M109 PolarHBondContact O-N 3.05Å
106	A	96.6	Very high	94.6	Very high	17 Å²	17	29.9 Å²	29.9	14%	0.14	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-46.2	177.8	0	0	0	0	0	111.1	I69 V102 L103 M109 W110	I69-A106 HydrophobicContact CD1-CB 4.12Å; V102-A106 VanDerWaalsContact O-CB 3.28Å; V102-A106 WeakPolarHBondContact O-CB 3.28Å; V102-A106 PolarHBondContact O-N 3.15Å; L103-A106 PolarHBondContact O-N 2.87Å; A106-M109 PolarHBondContact O-N 3.12Å; A106-W110 HydrophobicContact CB-CE3 3.74Å; A106-W110 HydrophobicContact CB-CZ3 3.83Å; A106-W110 WeakPolarHBondContact O-CB 3.47Å; A106-W110 PolarHBondContact O-N 2.87Å
107	I	95.1	Very high	94.4	Very high	31 Å²	31	31.6 Å²	31.6	16%	0.159	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-52.2	174.7	-69.9	165.9	0	0	0	109.9	L103 M104 M109 W110 F111 F127 I131	L103-I107 WeakPolarHBondContact O-CB 3.33Å; L103-I107 VanDerWaalsContact O-CG1 3.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.47Å; L103-I107 PolarHBondContact O-N 3.13Å; M104-I107 PolarHBondContact O-N 3.45Å; I107-M109 PolarHBondContact O-N 3.25Å; I107-M109 VanDerWaalsContact O-N 3.14Å; I107-W110 PolarHBondContact O-N 3.01Å; I107-F111 HydrophobicContact CG2-CB 4.33Å; I107-F111 HydrophobicContact CG2-CD2 4.37Å; I107-F111 WeakPolarHBondContact O-CB 3.18Å; I107-F111 PolarHBondContact O-N 3.37Å; I107-F127 HydrophobicContact CG2-CE1 4.05Å; I107-F127 HydrophobicContact CG2-CZ 3.89Å; I107-I131 HydrophobicContact CG2-CD1 4.29Å
108	A	95.1	Very high	94.1	Very high	11 Å²	11	41.2 Å²	41.2	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-56.2	-35.2	179.7	0	0	0	0	0	112.6	M104 C105 R124 K128 I131	M104-A108 VanDerWaalsContact O-CB 3.22Å; M104-A108 WeakPolarHBondContact O-CB 3.26Å; M104-A108 PolarHBondContact O-N 2.87Å; C105-A108 PolarHBondContact O-N 3.19Å; A108-R124 PolarHBondContact O-NH1 2.88Å; A108-K128 HydrophobicContact CB-CG 4.01Å; A108-K128 WeakPolarHBondContact O-CG 3.38Å; A108-I131 HydrophobicContact CB-CB 4.08Å; A108-I131 HydrophobicContact CB-CG1 4.49Å; A108-I131 HydrophobicContact CB-CG2 3.88Å
109	M	95.1	Very high	93.8	Very high	8 Å²	8	48 Å²	48	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-86.3	-40.1	-176.9	-169.6	-175.1	-44.4	0	0	114.5	N63 G65 I69 C105 A106 I107 R124	N63-M109 WeakPolarHBondContact ND2-CG 3.35Å; N63-M109 PolarHBondContact ND2-SD 3.42Å; N63-M109 VanDerWaalsContact ND2-SD 3.41Å; G65-M109 WeakPolarHBondContact O-CE 3.39Å; I69-M109 HydrophobicContact CD1-CE 4.15Å; I69-M109 HydrophobicContact CG1-CE 3.67Å; C105-M109 WeakPolarHBondContact O-CB 3.5Å; C105-M109 PolarHBondContact O-N 3.05Å; A106-M109 PolarHBondContact O-N 3.12Å; I107-M109 PolarHBondContact O-N 3.25Å; I107-M109 VanDerWaalsContact O-N 3.14Å; M109-R124 VanDerWaalsContact O-CZ 3.25Å; M109-R124 PolarHBondContact O-NH1 2.86Å
110	W	95.8	Very high	93.4	Very high	10 Å²	10	46.9 Å²	46.9	4%	0.038	22%	0.224	C	C	.	.	H	α-helix	trans	-116	-7.8	-167.4	-64.5	-40.2	0	0	0	114.6	I66 I69 A106 I107 P112 C228 F231 A232 H235	I66-W110 HydrophobicContact CD1-CH2 3.83Å; I66-W110 HydrophobicContact CD1-CZ2 3.41Å; I66-W110 VanDerWaalsContact CD1-CZ2 3.41Å; I69-W110 HydrophobicContact CG1-CH2 4.31Å; I69-W110 HydrophobicContact CG2-CH2 4.32Å; A106-W110 HydrophobicContact CB-CE3 3.74Å; A106-W110 HydrophobicContact CB-CZ3 3.83Å; A106-W110 WeakPolarHBondContact O-CB 3.47Å; A106-W110 PolarHBondContact O-N 2.87Å; I107-W110 PolarHBondContact O-N 3.01Å; W110-P112 WeakPolarHBondContact O-CD 3.16Å; W110-P112 VanDerWaalsContact O-N 3.13Å; W110-C228 HydrophobicContact CH2-CB 3.54Å; W110-C228 HydrophobicContact CZ3-CB 3.96Å; W110-F231 HydrophobicContact CB-CB 4.02Å; W110-F231 HydrophobicContact CB-CD1 4.22Å; W110-F231 HydrophobicContact CB-CG 4.4Å; W110-F231 HydrophobicContact CD2-CB 3.58Å; W110-F231 HydrophobicContact CE3-CB 3.47Å; W110-F231 VanDerWaalsContact CE3-CB 3.47Å; W110-F231 HydrophobicContact CE3-CG 4.19Å; W110-F231 HydrophobicContact CG-CB 3.88Å; W110-F231 HydrophobicContact CZ3-CB 4.07Å; W110-A232 HydrophobicContact CZ2-CB 4.06Å; W110-H235 AromaticContact CD1-CG 3.75Å; W110-H235 AromaticContact CD1-ND1 3.49Å; W110-H235 AromaticContact NE1-ND1 3.89Å
111	F	94.9	Very high	93.1	Very high	47 Å²	47	56.2 Å²	56.2	21%	0.206	26%	0.258	C	S	.	.	S	Bend	trans	-55	124.8	175.7	-166.2	-95.1	0	0	0	110	I107 K113 L116 R124 F127 L163	I107-F111 HydrophobicContact CG2-CB 4.33Å; I107-F111 HydrophobicContact CG2-CD2 4.37Å; I107-F111 WeakPolarHBondContact O-CB 3.18Å; I107-F111 PolarHBondContact O-N 3.37Å; F111-K113 PolarHBondContact O-N 3.47Å; F111-L116 HydrophobicContact CD1-CD2 3.62Å; F111-L116 HydrophobicContact CD1-CG 4.15Å; F111-L116 HydrophobicContact CE1-CD2 4.01Å; F111-L116 HydrophobicContact CE1-CG 4.44Å; F111-R124 PolarHBondContact O-NH1 3.18Å; F111-R124 PolarHBondContact O-NH2 3.3Å; F111-F127 HydrophobicContact CB-CE1 3.65Å; F111-F127 HydrophobicContact CB-CZ 4.04Å; F111-F127 HydrophobicContact CD1-CE1 4.29Å; F111-F127 HydrophobicContact CD1-CZ 4.05Å; F111-F127 HydrophobicContact CG-CE1 4.1Å; F111-F127 AromaticContact CG-CZ 3.99Å; F111-F127 HydrophobicContact CG-CZ 3.99Å; F111-L163 HydrophobicContact CD2-CD2 4.05Å
112	P	92.8	Very high	92.5	Very high	7 Å²	7	61.2 Å²	61.2	5%	0.045	28%	0.277	C	S	.	.			trans	-65.4	131.3	-173.1	-25.6	34.8	0	0	0	112.1	W110 R114 Y115 L116 L163	W110-P112 WeakPolarHBondContact O-CD 3.16Å; W110-P112 VanDerWaalsContact O-N 3.13Å; P112-R114 HydrophobicContact CB-CG 3.76Å; P112-R114 PolarHBondContact O-N 3.15Å; P112-Y115 HydrophobicContact CB-CD2 3.76Å; P112-Y115 HydrophobicContact CB-CE2 4.22Å; P112-Y115 HydrophobicContact CG-CD2 3.83Å; P112-Y115 HydrophobicContact CG-CE2 4.16Å; P112-Y115 PolarHBondContact O-N 3.04Å; P112-L116 PolarHBondContact O-N 3.28Å; P112-L163 HydrophobicContact CG-CD1 4.02Å
113	K	91.7	Very high	92.1	Very high	74 Å²	74	63.7 Å²	63.7	32%	0.322	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-54.3	-27.2	178	-77.6	173.9	178.6	158	0	113.7	F111 Y115 L116 E239	F111-K113 PolarHBondContact O-N 3.47Å; K113-Y115 VanDerWaalsContact C-N 3.31Å; K113-Y115 PolarHBondContact O-N 3.25Å; K113-L116 HydrophobicContact CB-CD1 4.33Å; K113-L116 HydrophobicContact CG-CD1 4.09Å; K113-L116 PolarHBondContact O-N 3.49Å; K113-E239 WeakPolarHBondContact CD-OE1 3.45Å; K113-E239 VanDerWaalsContact CE-OE1 3.24Å; K113-E239 WeakPolarHBondContact CE-OE1 3.1Å; K113-E239 WeakPolarHBondContact CE-OE2 3.5Å; K113-E239 WeakPolarHBondContact CG-OE1 3.49Å; K113-E239 IonicContact NZ-OE1 3.3Å; K113-E239 IonicContact NZ-OE2 3.93Å; K113-E239 PolarHBondContact NZ-OE2 3.41Å
114	R	91.1	Very high	91.9	Very high	71 Å²	71	63 Å²	63	27%	0.268	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-66.5	-27.8	177.3	62.1	-179.7	176.7	-104.7	16	114.1	P112 E167 T238	P112-R114 HydrophobicContact CB-CG 3.76Å; P112-R114 PolarHBondContact O-N 3.15Å; R114-E167 IonicContact CZ-OE1 3.87Å; R114-E167 IonicContact CZ-OE2 2.58Å; R114-E167 IonicContact NE-OE1 3.64Å; R114-E167 IonicContact NH1-OE2 2.7Å; R114-E167 IonicContact NH2-OE1 3.43Å; R114-E167 PolarHBondContact NH2-OE1 3.43Å; R114-E167 IonicContact NH2-OE2 3.47Å; R114-E167 PolarHBondContact NH2-OE2 3.48Å; R114-T238 PolarHBondContact NH1-OG1 3.17Å
115	Y	91.4	Very high	91.8	Very high	90 Å²	90	68 Å²	68	35%	0.353	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-97.9	-2.4	179	-59.5	-51.7	0	0	0	112.5	P112 K113 P117 L163 T166 E167 R170	P112-Y115 HydrophobicContact CB-CD2 3.76Å; P112-Y115 HydrophobicContact CB-CE2 4.22Å; P112-Y115 HydrophobicContact CG-CD2 3.83Å; P112-Y115 HydrophobicContact CG-CE2 4.16Å; P112-Y115 PolarHBondContact O-N 3.04Å; K113-Y115 VanDerWaalsContact C-N 3.31Å; K113-Y115 PolarHBondContact O-N 3.25Å; Y115-P117 WeakPolarHBondContact O-CD 3.43Å; Y115-L163 HydrophobicContact CD2-CD1 4.21Å; Y115-L163 HydrophobicContact CE2-CD1 4.41Å; Y115-T166 HydrophobicContact CE2-CG2 4.34Å; Y115-T166 WeakPolarHBondContact OH-CG2 3.28Å; Y115-E167 WeakPolarHBondContact CE2-OE1 3.26Å; Y115-R170 PolarHBondContact OH-NH1 3.5Å
116	L	91.3	Very high	91.7	Very high	14 Å²	14	72.2 Å²	72.2	7%	0.073	32%	0.322	C	S	.	.	S	Bend	trans	-62.4	130.4	178	-74.8	176.8	0	0	0	110.5	F111 P112 K113 F120 F127	F111-L116 HydrophobicContact CD1-CD2 3.62Å; F111-L116 HydrophobicContact CD1-CG 4.15Å; F111-L116 HydrophobicContact CE1-CD2 4.01Å; F111-L116 HydrophobicContact CE1-CG 4.44Å; P112-L116 PolarHBondContact O-N 3.28Å; K113-L116 HydrophobicContact CB-CD1 4.33Å; K113-L116 HydrophobicContact CG-CD1 4.09Å; K113-L116 PolarHBondContact O-N 3.49Å; L116-F120 HydrophobicContact CB-CB 4.49Å; L116-F127 HydrophobicContact CD2-CB 3.94Å; L116-F127 HydrophobicContact CD2-CD1 3.84Å; L116-F127 HydrophobicContact CD2-CD2 3.38Å; L116-F127 HydrophobicContact CD2-CE1 4.15Å; L116-F127 HydrophobicContact CD2-CE2 3.72Å; L116-F127 HydrophobicContact CD2-CG 3.43Å; L116-F127 VanDerWaalsContact CD2-CG 3.43Å; L116-F127 HydrophobicContact CD2-CZ 4.09Å
117	P	89.1	Confident	91.6	Very high	65 Å²	65	72.1 Å²	72.1	42%	0.422	32%	0.319	S	S	.	.			trans	-53	146	173.3	-28.3	34.3	0	0	0	112.2	Y115 M119 F120	Y115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-M119 HydrophobicContact CB-CG 4.08Å; P117-M119 PolarHBondContact O-N 2.85Å; P117-F120 HydrophobicContact CB-CD2 3.88Å; P117-F120 HydrophobicContact CB-CE2 4.1Å; P117-F120 HydrophobicContact CG-CD2 4.02Å; P117-F120 HydrophobicContact CG-CE2 3.95Å; P117-F120 PolarHBondContact O-N 2.6Å
118	K	88.6	Confident	91.6	Very high	204 Å²	204	74.4 Å²	74.4	89%	0.887	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-53.7	-31.3	-175.8	-67.5	-176.5	-178.6	177.4	0	113	F120 R121	K118-F120 PolarHBondContact O-N 2.58Å; K118-R121 PolarHBondContact O-N 3.45Å
119	M	89.5	Confident	91.6	Very high	142 Å²	142	77.8 Å²	77.8	70%	0.7	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-56.3	-31.2	176.9	69.7	-175.9	-70.9	0	0	113.6	P117 R121	P117-M119 HydrophobicContact CB-CG 4.08Å; P117-M119 PolarHBondContact O-N 2.85Å; M119-R121 VanDerWaalsContact C-N 3.28Å; M119-R121 PolarHBondContact O-N 3.5Å
120	F	88.8	Confident	91.6	Very high	17 Å²	17	80.5 Å²	80.5	8%	0.075	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-79.7	-10.5	179.4	-64.9	-73.2	0	0	0	112.9	L116 P117 K118 R122 N123 R126 F127 V130	L116-F120 HydrophobicContact CB-CB 4.49Å; P117-F120 HydrophobicContact CB-CD2 3.88Å; P117-F120 HydrophobicContact CB-CE2 4.1Å; P117-F120 HydrophobicContact CG-CD2 4.02Å; P117-F120 HydrophobicContact CG-CE2 3.95Å; P117-F120 PolarHBondContact O-N 2.6Å; K118-F120 PolarHBondContact O-N 2.58Å; F120-R122 PolarHBondContact O-N 3.08Å; F120-R122 VanDerWaalsContact O-N 3.12Å; F120-N123 WeakPolarHBondContact O-CB 3.25Å; F120-N123 PolarHBondContact O-N 2.99Å; F120-R126 HydrophobicContact CD1-CB 4.24Å; F120-F127 HydrophobicContact CD1-CB 4.04Å; F120-F127 HydrophobicContact CD1-CD2 4.29Å; F120-F127 HydrophobicContact CD2-CD2 4.19Å; F120-F127 HydrophobicContact CE1-CB 4.34Å; F120-F127 HydrophobicContact CE1-CD2 4.06Å; F120-F127 AromaticContact CE2-CD2 3.96Å; F120-F127 HydrophobicContact CE2-CD2 3.96Å; F120-F127 HydrophobicContact CE2-CE2 4.47Å; F120-F127 HydrophobicContact CG-CB 4.41Å; F120-F127 HydrophobicContact CG-CD2 4.35Å; F120-F127 AromaticContact CZ-CD2 3.89Å; F120-F127 HydrophobicContact CZ-CD2 3.89Å; F120-V130 HydrophobicContact CE1-CB 3.98Å; F120-V130 HydrophobicContact CE1-CG1 4.39Å; F120-V130 HydrophobicContact CE1-CG2 3.76Å; F120-V130 HydrophobicContact CZ-CB 4.3Å; F120-V130 HydrophobicContact CZ-CG1 4.22Å; F120-V130 HydrophobicContact CZ-CG2 4.35Å
121	R	86.8	Confident	91.6	Very high	201 Å²	201	80.9 Å²	80.9	76%	0.758	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	37.4	-176.7	-56.4	-174.7	-178.5	179.4	-0.4	112.7	K118 M119 N123	K118-R121 PolarHBondContact O-N 3.45Å; M119-R121 VanDerWaalsContact C-N 3.28Å; M119-R121 PolarHBondContact O-N 3.5Å; R121-N123 PolarHBondContact O-N 2.69Å
122	R	83.8	Confident	91.6	Very high	179 Å²	179	80.7 Å²	80.7	68%	0.675	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	17.6	-173.5	-59.8	-177.8	172.3	168.3	-1.7	115	F120 R124	F120-R122 PolarHBondContact O-N 3.08Å; F120-R122 VanDerWaalsContact O-N 3.12Å; R122-R124 PolarHBondContact O-N 2.86Å
123	N	90.8	Very high	91.7	Very high	62 Å²	62	85.2 Å²	85.2	33%	0.332	40%	0.4	S	S	.	.			trans	-84.8	106.1	178.5	-172.9	-30.6	0	0	0	110.3	F120 R121 L125 R126 F127	F120-N123 WeakPolarHBondContact O-CB 3.25Å; F120-N123 PolarHBondContact O-N 2.99Å; R121-N123 PolarHBondContact O-N 2.69Å; N123-L125 VanDerWaalsContact C-N 3.29Å; N123-L125 PolarHBondContact O-N 3.46Å; N123-L125 WeakPolarHBondContact OD1-CB 3.43Å; N123-L125 PolarHBondContact OD1-N 3.4Å; N123-R126 HydrophobicContact CB-CB 4.33Å; N123-R126 HydrophobicContact CB-CG 4.18Å; N123-R126 PolarHBondContact O-N 3.38Å; N123-R126 PolarHBondContact OD1-N 2.94Å; N123-F127 PolarHBondContact O-N 3.09Å
124	R	90.9	Very high	91.8	Very high	23 Å²	23	85.6 Å²	85.6	9%	0.087	41%	0.405	C	S	.	.	H	α-helix	trans	-61.1	-33.6	179.2	-176.7	174.6	-71.5	-70.7	3.6	112.7	A108 M109 F111 R122 F127 K128 E239	A108-R124 PolarHBondContact O-NH1 2.88Å; M109-R124 VanDerWaalsContact O-CZ 3.25Å; M109-R124 PolarHBondContact O-NH1 2.86Å; F111-R124 PolarHBondContact O-NH1 3.18Å; F111-R124 PolarHBondContact O-NH2 3.3Å; R122-R124 PolarHBondContact O-N 2.86Å; R124-F127 PolarHBondContact O-N 3.41Å; R124-K128 HydrophobicContact CG-CD 4.36Å; R124-K128 HydrophobicContact CG-CG 4.4Å; R124-K128 WeakPolarHBondContact O-CB 3.45Å; R124-K128 VanDerWaalsContact O-CG 3.31Å; R124-K128 WeakPolarHBondContact O-CG 3.25Å; R124-K128 PolarHBondContact O-N 2.97Å; R124-E239 IonicContact CZ-OE1 3.73Å; R124-E239 IonicContact NE-OE1 3.67Å; R124-E239 PolarHBondContact NE-OE1 2.76Å; R124-E239 IonicContact NE-OE2 2.64Å; R124-E239 IonicContact NH2-OE1 3.36Å; R124-E239 PolarHBondContact NH2-OE1 3.39Å
125	L	92.8	Very high	91.9	Very high	121 Å²	121	83.2 Å²	83.2	63%	0.634	40%	0.399	S	S	*	.	H	α-helix	trans	-65.2	-45.6	178.6	-179.9	62.7	0	0	0	111.4	N123 F127 K128 V129	N123-L125 VanDerWaalsContact C-N 3.29Å; N123-L125 PolarHBondContact O-N 3.46Å; N123-L125 WeakPolarHBondContact OD1-CB 3.43Å; N123-L125 PolarHBondContact OD1-N 3.4Å; L125-F127 VanDerWaalsContact C-N 3.3Å; L125-F127 PolarHBondContact O-N 2.86Å; L125-K128 PolarHBondContact O-N 3.25Å; L125-V129 WeakPolarHBondContact O-CG2 3.16Å; L125-V129 PolarHBondContact O-N 2.76Å
126	R	93.6	Very high	92	Very high	123 Å²	123	81.1 Å²	81.1	46%	0.464	41%	0.405	S	S	.	.	H	α-helix	trans	-61.2	-41.1	176.3	-68	-177.2	-176.1	-179.1	-1.3	111.7	F120 N123 V129 V130	F120-R126 HydrophobicContact CD1-CB 4.24Å; N123-R126 HydrophobicContact CB-CB 4.33Å; N123-R126 HydrophobicContact CB-CG 4.18Å; N123-R126 PolarHBondContact O-N 3.38Å; N123-R126 PolarHBondContact OD1-N 2.94Å; R126-V129 PolarHBondContact O-N 2.75Å; R126-V130 PolarHBondContact O-N 2.94Å; R126-V130 VanDerWaalsContact O-N 3.13Å
127	F	94.8	Very high	92.1	Very high	15 Å²	15	84.9 Å²	84.9	7%	0.066	42%	0.424	C	S	.	.	H	α-helix	trans	-62	-47.2	175.4	-176.6	-109.8	0	0	0	111.7	I107 F111 L116 F120 N123 R124 L125 V129 V130 I131	I107-F127 HydrophobicContact CG2-CE1 4.05Å; I107-F127 HydrophobicContact CG2-CZ 3.89Å; F111-F127 HydrophobicContact CB-CE1 3.65Å; F111-F127 HydrophobicContact CB-CZ 4.04Å; F111-F127 HydrophobicContact CD1-CE1 4.29Å; F111-F127 HydrophobicContact CD1-CZ 4.05Å; F111-F127 HydrophobicContact CG-CE1 4.1Å; F111-F127 AromaticContact CG-CZ 3.99Å; F111-F127 HydrophobicContact CG-CZ 3.99Å; L116-F127 HydrophobicContact CD2-CB 3.94Å; L116-F127 HydrophobicContact CD2-CD1 3.84Å; L116-F127 HydrophobicContact CD2-CD2 3.38Å; L116-F127 HydrophobicContact CD2-CE1 4.15Å; L116-F127 HydrophobicContact CD2-CE2 3.72Å; L116-F127 HydrophobicContact CD2-CG 3.43Å; L116-F127 VanDerWaalsContact CD2-CG 3.43Å; L116-F127 HydrophobicContact CD2-CZ 4.09Å; F120-F127 HydrophobicContact CD1-CB 4.04Å; F120-F127 HydrophobicContact CD1-CD2 4.29Å; F120-F127 HydrophobicContact CD2-CD2 4.19Å; F120-F127 HydrophobicContact CE1-CB 4.34Å; F120-F127 HydrophobicContact CE1-CD2 4.06Å; F120-F127 AromaticContact CE2-CD2 3.96Å; F120-F127 HydrophobicContact CE2-CD2 3.96Å; F120-F127 HydrophobicContact CE2-CE2 4.47Å; F120-F127 HydrophobicContact CG-CB 4.41Å; F120-F127 HydrophobicContact CG-CD2 4.35Å; F120-F127 AromaticContact CZ-CD2 3.89Å; F120-F127 HydrophobicContact CZ-CD2 3.89Å; N123-F127 PolarHBondContact O-N 3.09Å; R124-F127 PolarHBondContact O-N 3.41Å; L125-F127 VanDerWaalsContact C-N 3.3Å; L125-F127 PolarHBondContact O-N 2.86Å; F127-V129 VanDerWaalsContact C-N 3.32Å; F127-V129 PolarHBondContact O-N 3.03Å; F127-V130 PolarHBondContact O-N 3Å; F127-I131 HydrophobicContact CD1-CG1 4.22Å; F127-I131 HydrophobicContact CD2-CG1 4.34Å; F127-I131 HydrophobicContact CE1-CD1 4.43Å; F127-I131 HydrophobicContact CE1-CG1 3.87Å; F127-I131 HydrophobicContact CE2-CD1 4.02Å; F127-I131 HydrophobicContact CE2-CG1 4Å; F127-I131 HydrophobicContact CG-CG1 4.45Å; F127-I131 HydrophobicContact CZ-CD1 3.85Å; F127-I131 HydrophobicContact CZ-CG1 3.76Å; F127-I131 WeakPolarHBondContact O-CG1 3.38Å; F127-I131 PolarHBondContact O-N 2.92Å
128	K	94.8	Very high	92.1	Very high	79 Å²	79	83.1 Å²	83.1	34%	0.343	41%	0.413	S	S	.	.	H	α-helix	trans	-56.1	-43.8	175.5	-74.8	178.4	171.7	-171.6	0	112.5	A108 R124 L125 I131 G132	A108-K128 HydrophobicContact CB-CG 4.01Å; A108-K128 WeakPolarHBondContact O-CG 3.38Å; R124-K128 HydrophobicContact CG-CD 4.36Å; R124-K128 HydrophobicContact CG-CG 4.4Å; R124-K128 WeakPolarHBondContact O-CB 3.45Å; R124-K128 VanDerWaalsContact O-CG 3.31Å; R124-K128 WeakPolarHBondContact O-CG 3.25Å; R124-K128 PolarHBondContact O-N 2.97Å; L125-K128 PolarHBondContact O-N 3.25Å; K128-I131 PolarHBondContact O-N 3.42Å; K128-G132 PolarHBondContact O-N 2.97Å
129	V	95.6	Very high	92.2	Very high	81 Å²	81	74.7 Å²	74.7	49%	0.491	38%	0.378	S	S	.	.	H	α-helix	trans	-61.8	-46.3	177.9	171.4	0	0	0	0	111.3	L125 R126 F127 G132 I133	L125-V129 WeakPolarHBondContact O-CG2 3.16Å; L125-V129 PolarHBondContact O-N 2.76Å; R126-V129 PolarHBondContact O-N 2.75Å; F127-V129 VanDerWaalsContact C-N 3.32Å; F127-V129 PolarHBondContact O-N 3.03Å; V129-G132 PolarHBondContact O-N 3.31Å; V129-I133 HydrophobicContact CG1-CD1 3.97Å; V129-I133 WeakPolarHBondContact O-CG1 3.32Å; V129-I133 PolarHBondContact O-N 3.32Å
130	V	95.3	Very high	92.3	Very high	65 Å²	65	70 Å²	70	39%	0.394	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-43.8	178.8	170.8	0	0	0	0	111.6	F120 R126 F127 G132 I133 L134	F120-V130 HydrophobicContact CE1-CB 3.98Å; F120-V130 HydrophobicContact CE1-CG1 4.39Å; F120-V130 HydrophobicContact CE1-CG2 3.76Å; F120-V130 HydrophobicContact CZ-CB 4.3Å; F120-V130 HydrophobicContact CZ-CG1 4.22Å; F120-V130 HydrophobicContact CZ-CG2 4.35Å; R126-V130 PolarHBondContact O-N 2.94Å; R126-V130 VanDerWaalsContact O-N 3.13Å; F127-V130 PolarHBondContact O-N 3Å; V130-G132 VanDerWaalsContact C-N 3.3Å; V130-G132 PolarHBondContact O-N 3.1Å; V130-I133 PolarHBondContact O-N 3.29Å; V130-L134 WeakPolarHBondContact O-CB 3.37Å; V130-L134 PolarHBondContact O-N 3.49Å
131	I	94.9	Very high	92.3	Very high	18 Å²	18	73.5 Å²	73.5	9%	0.092	39%	0.385	C	S	.	.	H	α-helix	trans	-63.1	-38.3	175.7	-63.1	-63.4	0	0	0	111	M104 I107 A108 F127 K128 L134 S135	M104-I131 HydrophobicContact CB-CG2 4.05Å; M104-I131 HydrophobicContact CE-CG2 3.72Å; M104-I131 WeakPolarHBondContact CE-O 3.33Å; M104-I131 WeakPolarHBondContact O-CG2 3.37Å; M104-I131 HydrophobicContact SD-CG2 4.13Å; I107-I131 HydrophobicContact CG2-CD1 4.29Å; A108-I131 HydrophobicContact CB-CB 4.08Å; A108-I131 HydrophobicContact CB-CG1 4.49Å; A108-I131 HydrophobicContact CB-CG2 3.88Å; F127-I131 HydrophobicContact CD1-CG1 4.22Å; F127-I131 HydrophobicContact CD2-CG1 4.34Å; F127-I131 HydrophobicContact CE1-CD1 4.43Å; F127-I131 HydrophobicContact CE1-CG1 3.87Å; F127-I131 HydrophobicContact CE2-CD1 4.02Å; F127-I131 HydrophobicContact CE2-CG1 4Å; F127-I131 HydrophobicContact CG-CG1 4.45Å; F127-I131 HydrophobicContact CZ-CD1 3.85Å; F127-I131 HydrophobicContact CZ-CG1 3.76Å; F127-I131 WeakPolarHBondContact O-CG1 3.38Å; F127-I131 PolarHBondContact O-N 2.92Å; K128-I131 PolarHBondContact O-N 3.42Å; I131-L134 PolarHBondContact O-N 3.33Å; I131-S135 WeakPolarHBondContact O-CB 3.38Å; I131-S135 PolarHBondContact O-N 3.39Å
132	G	95.7	Very high	92.3	Very high	43 Å²	43	64 Å²	64	44%	0.443	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-44.9	174.6	0	0	0	0	0	113.1	K128 V129 V130 S135 G136	K128-G132 PolarHBondContact O-N 2.97Å; V129-G132 PolarHBondContact O-N 3.31Å; V130-G132 VanDerWaalsContact C-N 3.3Å; V130-G132 PolarHBondContact O-N 3.1Å; G132-S135 WeakPolarHBondContact O-CB 3.46Å; G132-S135 PolarHBondContact O-N 3.38Å; G132-G136 PolarHBondContact O-N 3.34Å
133	I	95.6	Very high	92.4	Very high	102 Å²	102	60.1 Å²	60.1	52%	0.523	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-46.8	175.1	-67.4	166.2	0	0	0	110.4	V129 V130 S135 G136 I137	V129-I133 HydrophobicContact CG1-CD1 3.97Å; V129-I133 WeakPolarHBondContact O-CG1 3.32Å; V129-I133 PolarHBondContact O-N 3.32Å; V130-I133 PolarHBondContact O-N 3.29Å; I133-S135 VanDerWaalsContact C-N 3.31Å; I133-S135 PolarHBondContact O-N 2.93Å; I133-G136 PolarHBondContact O-N 2.92Å; I133-I137 HydrophobicContact CG2-CD1 3.88Å; I133-I137 HydrophobicContact CG2-CG1 4.49Å; I133-I137 WeakPolarHBondContact O-CG1 3.47Å; I133-I137 PolarHBondContact O-N 2.64Å
134	L	92.8	Very high	92.1	Very high	82 Å²	82	63 Å²	63	43%	0.429	36%	0.357	S	S	.	.	H	α-helix	trans	-60.4	-42.5	177.9	-178.4	59	0	0	0	111.4	M104 V130 I131 G136 I137 T138	M104-L134 HydrophobicContact CE-CB 3.94Å; M104-L134 HydrophobicContact CE-CD2 3.94Å; M104-L134 HydrophobicContact CE-CG 3.81Å; V130-L134 WeakPolarHBondContact O-CB 3.37Å; V130-L134 PolarHBondContact O-N 3.49Å; I131-L134 PolarHBondContact O-N 3.33Å; L134-G136 VanDerWaalsContact C-N 3.32Å; L134-G136 PolarHBondContact O-N 3.04Å; L134-I137 PolarHBondContact O-N 2.76Å; L134-T138 WeakPolarHBondContact O-CB 3.47Å; L134-T138 PolarHBondContact O-N 3.05Å; L134-T138 PolarHBondContact O-OG1 2.87Å; L134-T138 VanDerWaalsContact O-OG1 3.09Å
135	S	93.3	Very high	91.9	Very high	21 Å²	21	68.2 Å²	68.2	15%	0.147	38%	0.38	C	S	.	.	H	α-helix	trans	-58.7	-43	175.3	-169.5	0	0	0	0	111.8	I131 G132 I133 T139	I131-S135 WeakPolarHBondContact O-CB 3.38Å; I131-S135 PolarHBondContact O-N 3.39Å; G132-S135 WeakPolarHBondContact O-CB 3.46Å; G132-S135 PolarHBondContact O-N 3.38Å; I133-S135 VanDerWaalsContact C-N 3.31Å; I133-S135 PolarHBondContact O-N 2.93Å; S135-T139 VanDerWaalsContact O-CB 3.32Å; S135-T139 WeakPolarHBondContact O-CB 3.41Å; S135-T139 PolarHBondContact O-N 3.3Å; S135-T139 PolarHBondContact O-OG1 3.49Å
136	G	93.8	Very high	91.5	Very high	46 Å²	46	64.1 Å²	64.1	47%	0.474	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-43.7	176.2	0	0	0	0	0	112.7	G132 I133 L134 T139 G140	G132-G136 PolarHBondContact O-N 3.34Å; I133-G136 PolarHBondContact O-N 2.92Å; L134-G136 VanDerWaalsContact C-N 3.32Å; L134-G136 PolarHBondContact O-N 3.04Å; G136-T139 PolarHBondContact O-N 3.01Å; G136-G140 PolarHBondContact O-N 3.49Å
137	I	92.1	Very high	91	Very high	93 Å²	93	62.1 Å²	62.1	48%	0.477	36%	0.362	S	S	.	.	H	α-helix	trans	-62.8	-50.1	176.7	-66.4	168.4	0	0	0	110.6	I133 L134 T139 G140 L141	I133-I137 HydrophobicContact CG2-CD1 3.88Å; I133-I137 HydrophobicContact CG2-CG1 4.49Å; I133-I137 WeakPolarHBondContact O-CG1 3.47Å; I133-I137 PolarHBondContact O-N 2.64Å; L134-I137 PolarHBondContact O-N 2.76Å; I137-T139 VanDerWaalsContact C-N 3.28Å; I137-T139 PolarHBondContact O-N 3.38Å; I137-G140 PolarHBondContact O-N 3.32Å; I137-L141 HydrophobicContact CG2-CD1 3.88Å; I137-L141 HydrophobicContact CG2-CG 4.34Å; I137-L141 WeakPolarHBondContact O-CG 2.93Å; I137-L141 PolarHBondContact O-N 2.88Å
138	T	89.8	Confident	90.5	Very high	29 Å²	29	63.3 Å²	63.3	18%	0.178	37%	0.37	C	S	.	.	H	α-helix	trans	-59.1	-41.7	178.2	-61.1	0	0	0	0	111.2	L100 L134 L141 A142	L100-T138 HydrophobicContact CD1-CG2 4.29Å; L134-T138 WeakPolarHBondContact O-CB 3.47Å; L134-T138 PolarHBondContact O-N 3.05Å; L134-T138 PolarHBondContact O-OG1 2.87Å; L134-T138 VanDerWaalsContact O-OG1 3.09Å; T138-L141 PolarHBondContact O-N 2.89Å; T138-A142 WeakPolarHBondContact O-CB 3.3Å; T138-A142 PolarHBondContact O-N 3.39Å
139	T	91.5	Very high	90	Very high	27 Å²	27	59.6 Å²	59.6	17%	0.166	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-47.2	175.7	-58	0	0	0	0	111.2	L97 W101 S135 G136 I137 L141 A142 F143	L97-T139 HydrophobicContact CD1-CG2 4.04Å; L97-T139 HydrophobicContact CD2-CG2 4.19Å; W101-T139 HydrophobicContact CZ2-CG2 4.02Å; W101-T139 PolarHBondContact NE1-OG1 2.86Å; S135-T139 VanDerWaalsContact O-CB 3.32Å; S135-T139 WeakPolarHBondContact O-CB 3.41Å; S135-T139 PolarHBondContact O-N 3.3Å; S135-T139 PolarHBondContact O-OG1 3.49Å; G136-T139 PolarHBondContact O-N 3.01Å; I137-T139 VanDerWaalsContact C-N 3.28Å; I137-T139 PolarHBondContact O-N 3.38Å; T139-L141 PolarHBondContact O-N 3.36Å; T139-A142 WeakPolarHBondContact O-CB 3.4Å; T139-A142 PolarHBondContact O-N 3.45Å; T139-F143 HydrophobicContact CG2-CE2 4.07Å; T139-F143 VanDerWaalsContact O-CD2 3.25Å; T139-F143 WeakPolarHBondContact O-CD2 3.21Å
140	G	90.4	Very high	89.3	Confident	42 Å²	42	57.4 Å²	57.4	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-41.3	177.2	0	0	0	0	0	113.2	G136 I137 A142 F143	G136-G140 PolarHBondContact O-N 3.49Å; I137-G140 PolarHBondContact O-N 3.32Å; G140-A142 VanDerWaalsContact C-N 3.32Å; G140-A142 PolarHBondContact O-N 3.26Å; G140-F143 PolarHBondContact O-N 2.98Å
141	L	88.6	Confident	88.8	Confident	92 Å²	92	59.3 Å²	59.3	48%	0.482	35%	0.35	S	S	.	.	H	α-helix	trans	-66.7	-33	177.4	-70.5	173.9	0	0	0	112.7	I137 T138 T139 F143 V144 K145	I137-L141 HydrophobicContact CG2-CD1 3.88Å; I137-L141 HydrophobicContact CG2-CG 4.34Å; I137-L141 WeakPolarHBondContact O-CG 2.93Å; I137-L141 PolarHBondContact O-N 2.88Å; T138-L141 PolarHBondContact O-N 2.89Å; T139-L141 PolarHBondContact O-N 3.36Å; L141-F143 VanDerWaalsContact C-N 3.33Å; L141-F143 PolarHBondContact O-N 2.93Å; L141-V144 WeakPolarHBondContact O-CB 3.44Å; L141-V144 PolarHBondContact O-N 3.44Å; L141-K145 PolarHBondContact O-N 2.85Å
142	A	87.3	Confident	88.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-39.9	178	0	0	0	0	0	112.9	L97 T138 T139 G140 V144 K145 P146 N149	L97-A142 HydrophobicContact CD2-CB 3.7Å; L97-A142 HydrophobicContact CG-CB 4.43Å; T138-A142 WeakPolarHBondContact O-CB 3.3Å; T138-A142 PolarHBondContact O-N 3.39Å; T139-A142 WeakPolarHBondContact O-CB 3.4Å; T139-A142 PolarHBondContact O-N 3.45Å; G140-A142 VanDerWaalsContact C-N 3.32Å; G140-A142 PolarHBondContact O-N 3.26Å; A142-V144 PolarHBondContact O-N 2.84Å; A142-K145 CarbonylContact O-C 3.2Å; A142-K145 VanDerWaalsContact O-C 3.28Å; A142-K145 PolarHBondContact O-N 3.43Å; A142-P146 WeakPolarHBondContact O-CA 3.37Å; A142-P146 VanDerWaalsContact O-N 3.14Å; A142-N149 WeakPolarHBondContact CB-OD1 3.47Å
143	F	85.3	Confident	87.8	Confident	99 Å²	99	58.8 Å²	58.8	43%	0.434	34%	0.34	S	S	.	.	H	α-helix	trans	-67.8	-20.5	175.2	-75.9	-77.1	0	0	0	113.2	M93 L97 T139 G140 L141	M93-F143 HydrophobicContact CB-CE1 4.07Å; M93-F143 HydrophobicContact CB-CZ 4.39Å; M93-F143 HydrophobicContact CG-CD1 4.34Å; M93-F143 HydrophobicContact CG-CE1 4.15Å; L97-F143 HydrophobicContact CD1-CD2 4.39Å; L97-F143 HydrophobicContact CD1-CE2 3.63Å; L97-F143 HydrophobicContact CD1-CZ 3.86Å; T139-F143 HydrophobicContact CG2-CE2 4.07Å; T139-F143 VanDerWaalsContact O-CD2 3.25Å; T139-F143 WeakPolarHBondContact O-CD2 3.21Å; G140-F143 PolarHBondContact O-N 2.98Å; L141-F143 VanDerWaalsContact C-N 3.33Å; L141-F143 PolarHBondContact O-N 2.93Å
144	V	85.4	Confident	87.2	Confident	123 Å²	123	56.7 Å²	56.7	75%	0.745	33%	0.328	S	S	*	.	H	α-helix	trans	-87.5	-42.9	175.6	-179.9	0	0	0	0	111.2	L141 A142	L141-V144 WeakPolarHBondContact O-CB 3.44Å; L141-V144 PolarHBondContact O-N 3.44Å; A142-V144 PolarHBondContact O-N 2.84Å
145	K	86.3	Confident	86.9	Confident	132 Å²	132	57.1 Å²	57.1	57%	0.574	33%	0.334	S	S	*	.			trans	-136.9	90.9	-179.8	-167.5	172.6	-174.5	174.9	0	109.9	L141 A142 V147 V148	L141-K145 PolarHBondContact O-N 2.85Å; A142-K145 CarbonylContact O-C 3.2Å; A142-K145 VanDerWaalsContact O-C 3.28Å; A142-K145 PolarHBondContact O-N 3.43Å; K145-V147 PolarHBondContact O-N 3.49Å; K145-V147 VanDerWaalsContact O-N 3.07Å; K145-V148 HydrophobicContact CB-CG2 3.98Å; K145-V148 HydrophobicContact CD-CG2 4.42Å; K145-V148 HydrophobicContact CG-CG2 4.26Å; K145-V148 VanDerWaalsContact O-CB 3.24Å; K145-V148 WeakPolarHBondContact O-CB 3.24Å; K145-V148 VanDerWaalsContact O-CG2 3.28Å; K145-V148 WeakPolarHBondContact O-CG2 3.24Å; K145-V148 PolarHBondContact O-N 2.82Å
146	P	84.9	Confident	86.7	Confident	34 Å²	34	58.1 Å²	58.1	22%	0.221	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-37.1	-175.8	-33	38.4	0	0	0	114.4	F89 M93 A142 V148 N149	F89-P146 HydrophobicContact CE2-CB 4.16Å; F89-P146 HydrophobicContact CE2-CG 3.41Å; F89-P146 VanDerWaalsContact CE2-CG 3.41Å; F89-P146 HydrophobicContact CZ-CG 3.77Å; M93-P146 HydrophobicContact CE-CB 3.7Å; M93-P146 HydrophobicContact CE-CG 4.32Å; M93-P146 HydrophobicContact SD-CB 4.29Å; M93-P146 HydrophobicContact SD-CG 4.44Å; A142-P146 WeakPolarHBondContact O-CA 3.37Å; A142-P146 VanDerWaalsContact O-N 3.14Å; P146-V148 PolarHBondContact O-N 3.21Å; P146-N149 WeakPolarHBondContact O-CB 3.29Å; P146-N149 PolarHBondContact O-N 3.21Å
147	V	83.9	Confident	86.4	Confident	82 Å²	82	56.3 Å²	56.3	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-54.3	-23.9	176.2	177.6	0	0	0	0	113.4	K145 N149 S150 L151	K145-V147 PolarHBondContact O-N 3.49Å; K145-V147 VanDerWaalsContact O-N 3.07Å; V147-N149 PolarHBondContact O-N 3.07Å; V147-S150 PolarHBondContact O-OG 3.44Å; V147-S150 VanDerWaalsContact O-OG 3.09Å; V147-L151 HydrophobicContact CG1-CD1 3.86Å; V147-L151 HydrophobicContact CG1-CG 4.12Å; V147-L151 WeakPolarHBondContact O-CB 3.46Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.35Å; V147-L151 PolarHBondContact O-N 2.94Å
148	V	83.8	Confident	86.3	Confident	39 Å²	39	57.3 Å²	57.3	24%	0.236	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-33.5	175.2	173.7	0	0	0	0	111.5	K145 P146 S152	K145-V148 HydrophobicContact CB-CG2 3.98Å; K145-V148 HydrophobicContact CD-CG2 4.42Å; K145-V148 HydrophobicContact CG-CG2 4.26Å; K145-V148 VanDerWaalsContact O-CB 3.24Å; K145-V148 WeakPolarHBondContact O-CB 3.24Å; K145-V148 VanDerWaalsContact O-CG2 3.28Å; K145-V148 WeakPolarHBondContact O-CG2 3.24Å; K145-V148 PolarHBondContact O-N 2.82Å; P146-V148 PolarHBondContact O-N 3.21Å; V148-S152 WeakPolarHBondContact O-CB 3.48Å; V148-S152 PolarHBondContact O-N 3.39Å; V148-S152 PolarHBondContact O-OG 3.31Å
149	N	84.4	Confident	86.4	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-54.1	-179.8	-82.6	-10.6	0	0	0	112.2	E96 L97 L100 A142 P146 V147 L151 S152 L153	E96-N149 HydrophobicContact CB-CB 3.97Å; E96-N149 WeakPolarHBondContact OE2-CB 3.17Å; E96-N149 PolarHBondContact OE2-ND2 3.04Å; L97-N149 WeakPolarHBondContact CD2-OD1 3.25Å; L100-N149 HydrophobicContact CD1-CB 4.37Å; L100-N149 WeakPolarHBondContact CD1-OD1 3.36Å; A142-N149 WeakPolarHBondContact CB-OD1 3.47Å; P146-N149 WeakPolarHBondContact O-CB 3.29Å; P146-N149 PolarHBondContact O-N 3.21Å; V147-N149 PolarHBondContact O-N 3.07Å; N149-L151 VanDerWaalsContact C-N 3.3Å; N149-L151 PolarHBondContact O-N 3.09Å; N149-S152 PolarHBondContact O-N 3.26Å; N149-S152 VanDerWaalsContact O-N 3.14Å; N149-L153 WeakPolarHBondContact O-CB 3.28Å; N149-L153 PolarHBondContact O-N 2.9Å
150	S	81	Confident	86.4	Confident	36 Å²	36	59.3 Å²	59.3	25%	0.252	34%	0.339	S	S	.	.	H	α-helix	trans	-60.6	-40.9	179.6	63	0	0	0	0	111.3	V147 L153 M154	V147-S150 PolarHBondContact O-OG 3.44Å; V147-S150 VanDerWaalsContact O-OG 3.09Å; S150-L153 PolarHBondContact O-N 3.31Å; S150-M154 VanDerWaalsContact O-CG 3.23Å; S150-M154 WeakPolarHBondContact O-CG 3.22Å; S150-M154 PolarHBondContact O-N 2.91Å
151	L	85.1	Confident	86.5	Confident	105 Å²	105	59.4 Å²	59.4	55%	0.55	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-43	174.4	-70.3	176.5	0	0	0	112.3	V147 N149 T155	V147-L151 HydrophobicContact CG1-CD1 3.86Å; V147-L151 HydrophobicContact CG1-CG 4.12Å; V147-L151 WeakPolarHBondContact O-CB 3.46Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.35Å; V147-L151 PolarHBondContact O-N 2.94Å; N149-L151 VanDerWaalsContact C-N 3.3Å; N149-L151 PolarHBondContact O-N 3.09Å; L151-T155 VanDerWaalsContact O-CB 3.28Å; L151-T155 WeakPolarHBondContact O-CB 3.39Å; L151-T155 PolarHBondContact O-N 3.42Å; L151-T155 PolarHBondContact O-OG1 3.19Å
152	S	85.1	Confident	86.8	Confident	28 Å²	28	59 Å²	59	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-43.4	178.2	-63.5	0	0	0	0	111	V148 N149 T155 L156	V148-S152 WeakPolarHBondContact O-CB 3.48Å; V148-S152 PolarHBondContact O-N 3.39Å; V148-S152 PolarHBondContact O-OG 3.31Å; N149-S152 PolarHBondContact O-N 3.26Å; N149-S152 VanDerWaalsContact O-N 3.14Å; S152-T155 PolarHBondContact O-N 2.97Å; S152-L156 VanDerWaalsContact O-CB 3.25Å; S152-L156 WeakPolarHBondContact O-CB 3.09Å; S152-L156 VanDerWaalsContact O-CG 3.27Å; S152-L156 WeakPolarHBondContact O-CG 3.47Å; S152-L156 PolarHBondContact O-N 3.45Å
153	L	83.4	Confident	87.2	Confident	22 Å²	22	60.1 Å²	60.1	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-49.7	178.7	-176.6	62.7	0	0	0	111.4	I99 L100 L103 N149 S150 T155 L156 G157	I99-L153 HydrophobicContact CB-CD1 4.46Å; I99-L153 HydrophobicContact CG2-CD1 3.47Å; I99-L153 VanDerWaalsContact CG2-CD1 3.47Å; I99-L153 HydrophobicContact CG2-CD2 4.44Å; L100-L153 HydrophobicContact CD2-CB 4.33Å; L100-L153 HydrophobicContact CD2-CD1 4.48Å; L103-L153 HydrophobicContact CD1-CD1 3.67Å; N149-L153 WeakPolarHBondContact O-CB 3.28Å; N149-L153 PolarHBondContact O-N 2.9Å; S150-L153 PolarHBondContact O-N 3.31Å; L153-T155 VanDerWaalsContact C-N 3.29Å; L153-T155 PolarHBondContact O-N 3.39Å; L153-L156 PolarHBondContact O-N 3.26Å; L153-G157 PolarHBondContact O-N 3.37Å
154	M	83.1	Confident	87.7	Confident	57 Å²	57	56.3 Å²	56.3	28%	0.281	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-38.2	178.6	-66.6	-61.7	139.8	0	0	111.8	S150 L191 W194	S150-M154 VanDerWaalsContact O-CG 3.23Å; S150-M154 WeakPolarHBondContact O-CG 3.22Å; S150-M154 PolarHBondContact O-N 2.91Å; M154-L191 HydrophobicContact CE-CD1 4.41Å; M154-L191 HydrophobicContact SD-CD1 3.97Å; M154-W194 HydrophobicContact CE-CD2 4.05Å; M154-W194 HydrophobicContact CE-CE3 3.95Å; M154-W194 HydrophobicContact CE-CH2 3.85Å; M154-W194 HydrophobicContact CE-CZ2 3.9Å; M154-W194 HydrophobicContact CE-CZ3 3.86Å; M154-W194 HydrophobicContact SD-CZ3 4.42Å
155	T	87.2	Confident	88.2	Confident	91 Å²	91	54.2 Å²	54.2	56%	0.558	31%	0.306	S	S	*	.	H	α-helix	trans	-71.9	-41.5	178.5	-55.5	0	0	0	0	112	L151 S152 L153 G157 I158 P159	L151-T155 VanDerWaalsContact O-CB 3.28Å; L151-T155 WeakPolarHBondContact O-CB 3.39Å; L151-T155 PolarHBondContact O-N 3.42Å; L151-T155 PolarHBondContact O-OG1 3.19Å; S152-T155 PolarHBondContact O-N 2.97Å; L153-T155 VanDerWaalsContact C-N 3.29Å; L153-T155 PolarHBondContact O-N 3.39Å; T155-G157 VanDerWaalsContact C-N 3.33Å; T155-G157 PolarHBondContact O-N 3.31Å; T155-I158 PolarHBondContact O-N 2.95Å; T155-P159 WeakPolarHBondContact O-CD 3.32Å
156	L	88.1	Confident	88.7	Confident	43 Å²	43	50.2 Å²	50.2	23%	0.225	29%	0.292	C	S	.	.	H	α-helix	trans	-72.8	-23	-179.1	-75.8	173.7	0	0	0	113.3	L100 L103 S152 L153 I158 P159 C160	L100-L156 HydrophobicContact CD2-CD1 3.92Å; L103-L156 HydrophobicContact CD1-CB 4.4Å; S152-L156 VanDerWaalsContact O-CB 3.25Å; S152-L156 WeakPolarHBondContact O-CB 3.09Å; S152-L156 VanDerWaalsContact O-CG 3.27Å; S152-L156 WeakPolarHBondContact O-CG 3.47Å; S152-L156 PolarHBondContact O-N 3.45Å; L153-L156 PolarHBondContact O-N 3.26Å; L156-I158 VanDerWaalsContact C-N 3.27Å; L156-I158 PolarHBondContact O-N 3.47Å; L156-P159 VanDerWaalsContact O-CD 3.24Å; L156-P159 WeakPolarHBondContact O-CD 3.16Å; L156-P159 WeakPolarHBondContact O-CG 3.39Å; L156-C160 WeakPolarHBondContact O-CB 3.34Å; L156-C160 PolarHBondContact O-N 2.88Å; L156-C160 PolarHBondContact O-SG 3.48Å
157	G	87.4	Confident	89.2	Confident	7 Å²	7	48.9 Å²	48.9	7%	0.072	28%	0.283	C	S	.	.	H	α-helix	trans	-58.4	-37.7	172.9	0	0	0	0	0	113.1	L153 T155 T161	L153-G157 PolarHBondContact O-N 3.37Å; T155-G157 VanDerWaalsContact C-N 3.33Å; T155-G157 PolarHBondContact O-N 3.31Å; G157-T161 WeakPolarHBondContact O-CB 3.49Å; G157-T161 PolarHBondContact O-N 2.93Å; G157-T161 PolarHBondContact O-OG1 3.18Å
158	I	90.4	Very high	89.8	Confident	114 Å²	114	45.7 Å²	45.7	59%	0.585	26%	0.263	S	S	*	.	H	α-helix	trans	-63.2	-58.9	-179.4	-59.2	172.5	0	0	0	112.2	T155 L156 C160 T161 V162	T155-I158 PolarHBondContact O-N 2.95Å; L156-I158 VanDerWaalsContact C-N 3.27Å; L156-I158 PolarHBondContact O-N 3.47Å; I158-C160 VanDerWaalsContact C-N 3.27Å; I158-C160 PolarHBondContact O-N 3.16Å; I158-T161 WeakPolarHBondContact O-CB 2.96Å; I158-T161 PolarHBondContact O-N 3.31Å; I158-T161 VanDerWaalsContact O-N 3.14Å; I158-V162 HydrophobicContact CG2-CG2 4.45Å; I158-V162 WeakPolarHBondContact O-CG2 3.48Å; I158-V162 PolarHBondContact O-N 3.38Å
159	P	91.3	Very high	90.3	Very high	69 Å²	69	52.1 Å²	52.1	45%	0.448	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-32.9	179.9	25.1	-33.8	0	0	0	112.3	T155 L156 V162 L163	T155-P159 WeakPolarHBondContact O-CD 3.32Å; L156-P159 VanDerWaalsContact O-CD 3.24Å; L156-P159 WeakPolarHBondContact O-CD 3.16Å; L156-P159 WeakPolarHBondContact O-CG 3.39Å; P159-V162 PolarHBondContact O-N 3.27Å; P159-L163 VanDerWaalsContact O-CB 3.26Å; P159-L163 WeakPolarHBondContact O-CB 3.48Å; P159-L163 PolarHBondContact O-N 2.9Å
160	C	92.2	Very high	90.7	Very high	30 Å²	30	59.2 Å²	59.2	20%	0.203	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-43.3	173.8	-67.1	0	0	0	0	111.8	L156 I158 L163 L164	L156-C160 WeakPolarHBondContact O-CB 3.34Å; L156-C160 PolarHBondContact O-N 2.88Å; L156-C160 PolarHBondContact O-SG 3.48Å; I158-C160 VanDerWaalsContact C-N 3.27Å; I158-C160 PolarHBondContact O-N 3.16Å; C160-L163 PolarHBondContact O-N 2.98Å; C160-L164 WeakPolarHBondContact O-CB 3.41Å; C160-L164 PolarHBondContact O-N 3.41Å
161	T	93.1	Very high	91.3	Very high	44 Å²	44	58.5 Å²	58.5	27%	0.27	31%	0.31	S	S	.	.	H	α-helix	trans	-64.5	-46.1	176.6	-57.9	0	0	0	0	111.3	G157 I158 L163 L164 I165 W187	G157-T161 WeakPolarHBondContact O-CB 3.49Å; G157-T161 PolarHBondContact O-N 2.93Å; G157-T161 PolarHBondContact O-OG1 3.18Å; I158-T161 WeakPolarHBondContact O-CB 2.96Å; I158-T161 PolarHBondContact O-N 3.31Å; I158-T161 VanDerWaalsContact O-N 3.14Å; T161-L163 VanDerWaalsContact C-N 3.29Å; T161-L163 PolarHBondContact O-N 3.07Å; T161-L164 PolarHBondContact O-N 3.17Å; T161-I165 HydrophobicContact CG2-CD1 3.9Å; T161-I165 WeakPolarHBondContact O-CG1 3.32Å; T161-I165 PolarHBondContact O-N 3.48Å; T161-W187 PolarHBondContact OG1-NE1 3.22Å
162	V	94.4	Very high	91.6	Very high	82 Å²	82	62.9 Å²	62.9	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-43.6	176.5	171.1	0	0	0	0	110.6	I158 P159 I165 T166	I158-V162 HydrophobicContact CG2-CG2 4.45Å; I158-V162 WeakPolarHBondContact O-CG2 3.48Å; I158-V162 PolarHBondContact O-N 3.38Å; P159-V162 PolarHBondContact O-N 3.27Å; V162-I165 PolarHBondContact O-N 2.89Å; V162-T166 WeakPolarHBondContact O-CB 3.27Å; V162-T166 PolarHBondContact O-N 3.31Å; V162-T166 PolarHBondContact O-OG1 3.07Å
163	L	95.3	Very high	92.1	Very high	24 Å²	24	63.9 Å²	63.9	13%	0.126	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-48.4	177.6	-177.1	64.3	0	0	0	110.9	F111 P112 Y115 P159 C160 T161 I165 T166 E167 F231	F111-L163 HydrophobicContact CD2-CD2 4.05Å; P112-L163 HydrophobicContact CG-CD1 4.02Å; Y115-L163 HydrophobicContact CD2-CD1 4.21Å; Y115-L163 HydrophobicContact CE2-CD1 4.41Å; P159-L163 VanDerWaalsContact O-CB 3.26Å; P159-L163 WeakPolarHBondContact O-CB 3.48Å; P159-L163 PolarHBondContact O-N 2.9Å; C160-L163 PolarHBondContact O-N 2.98Å; T161-L163 VanDerWaalsContact C-N 3.29Å; T161-L163 PolarHBondContact O-N 3.07Å; L163-I165 PolarHBondContact O-N 2.71Å; L163-T166 PolarHBondContact O-N 3.15Å; L163-T166 VanDerWaalsContact O-N 3.16Å; L163-E167 HydrophobicContact CD1-CG 4.32Å; L163-E167 HydrophobicContact CG-CG 4.48Å; L163-E167 WeakPolarHBondContact O-CG 3.25Å; L163-E167 PolarHBondContact O-N 3.2Å; L163-F231 HydrophobicContact CB-CZ 4.39Å; L163-F231 HydrophobicContact CD2-CE1 3.71Å; L163-F231 HydrophobicContact CD2-CZ 3.95Å; L163-F231 HydrophobicContact CG-CE1 3.78Å; L163-F231 HydrophobicContact CG-CZ 3.94Å
164	L	95.3	Very high	92.5	Very high	19 Å²	19	68 Å²	68	10%	0.099	35%	0.352	C	S	.	.	H	α-helix	trans	-56.5	-49.4	177.4	177.2	60.9	0	0	0	111.5	C160 T161 T166 E167 L168 C230 F231 F234	C160-L164 WeakPolarHBondContact O-CB 3.41Å; C160-L164 PolarHBondContact O-N 3.41Å; T161-L164 PolarHBondContact O-N 3.17Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 3.37Å; L164-E167 PolarHBondContact O-N 3.27Å; L164-L168 HydrophobicContact CD1-CD1 3.86Å; L164-L168 HydrophobicContact CD1-CG 4.04Å; L164-L168 HydrophobicContact CG-CD1 3.78Å; L164-L168 HydrophobicContact CG-CG 4.39Å; L164-L168 WeakPolarHBondContact O-CB 3.32Å; L164-L168 VanDerWaalsContact O-CG 3.22Å; L164-L168 WeakPolarHBondContact O-CG 3.32Å; L164-L168 PolarHBondContact O-N 3.33Å; L164-C230 HydrophobicContact CD1-CB 4.37Å; L164-F231 HydrophobicContact CB-CE2 4.21Å; L164-F231 HydrophobicContact CB-CZ 4.06Å; L164-F231 HydrophobicContact CD1-CE2 4.18Å; L164-F231 HydrophobicContact CD1-CZ 4.42Å; L164-F234 HydrophobicContact CD1-CE2 4.21Å
165	I	96.3	Very high	93	Very high	80 Å²	80	69.8 Å²	69.8	41%	0.41	36%	0.355	S	S	.	.	H	α-helix	trans	-60.2	-41.9	178	-67.8	168.6	0	0	0	111	T161 V162 L163 L168 K169	T161-I165 HydrophobicContact CG2-CD1 3.9Å; T161-I165 WeakPolarHBondContact O-CG1 3.32Å; T161-I165 PolarHBondContact O-N 3.48Å; V162-I165 PolarHBondContact O-N 2.89Å; L163-I165 PolarHBondContact O-N 2.71Å; I165-L168 PolarHBondContact O-N 2.94Å; I165-K169 HydrophobicContact CG2-CD 4.23Å; I165-K169 WeakPolarHBondContact O-CG 3.24Å; I165-K169 PolarHBondContact O-N 3.34Å
166	T	96	Very high	93.4	Very high	47 Å²	47	65.4 Å²	65.4	29%	0.288	33%	0.329	S	S	.	.	H	α-helix	trans	-65.4	-42.6	-179.6	-58	0	0	0	0	111.5	Y115 V162 L163 L164 R170	Y115-T166 HydrophobicContact CE2-CG2 4.34Å; Y115-T166 WeakPolarHBondContact OH-CG2 3.28Å; V162-T166 WeakPolarHBondContact O-CB 3.27Å; V162-T166 PolarHBondContact O-N 3.31Å; V162-T166 PolarHBondContact O-OG1 3.07Å; L163-T166 PolarHBondContact O-N 3.15Å; L163-T166 VanDerWaalsContact O-N 3.16Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 3.37Å; T166-R170 WeakPolarHBondContact O-CG 3.44Å; T166-R170 PolarHBondContact O-N 3.07Å
167	E	96.1	Very high	93.8	Very high	7 Å²	7	67.4 Å²	67.4	3%	0.033	34%	0.336	C	S	.	.	H	α-helix	trans	-67.7	-41.4	175.7	-64.6	-52.7	107.3	0	0	111.8	R114 Y115 L163 L164 K169 R170 C171 F231 F234	R114-E167 IonicContact CZ-OE1 3.87Å; R114-E167 IonicContact CZ-OE2 2.58Å; R114-E167 IonicContact NE-OE1 3.64Å; R114-E167 IonicContact NH1-OE2 2.7Å; R114-E167 IonicContact NH2-OE1 3.43Å; R114-E167 PolarHBondContact NH2-OE1 3.43Å; R114-E167 IonicContact NH2-OE2 3.47Å; R114-E167 PolarHBondContact NH2-OE2 3.48Å; Y115-E167 WeakPolarHBondContact CE2-OE1 3.26Å; L163-E167 HydrophobicContact CD1-CG 4.32Å; L163-E167 HydrophobicContact CG-CG 4.48Å; L163-E167 WeakPolarHBondContact O-CG 3.25Å; L163-E167 PolarHBondContact O-N 3.2Å; L164-E167 PolarHBondContact O-N 3.27Å; E167-K169 PolarHBondContact O-N 3.45Å; E167-R170 CarbonylContact O-C 3.37Å; E167-R170 PolarHBondContact O-N 3.47Å; E167-R170 VanDerWaalsContact O-N 3.08Å; E167-C171 PolarHBondContact O-N 2.67Å; E167-C171 VanDerWaalsContact O-N 3.12Å; E167-F231 HydrophobicContact CG-CE1 4.17Å; E167-F234 HydrophobicContact CB-CD1 4.39Å; E167-F234 HydrophobicContact CB-CD2 3.45Å; E167-F234 VanDerWaalsContact CB-CD2 3.45Å; E167-F234 HydrophobicContact CB-CE1 4.37Å; E167-F234 HydrophobicContact CB-CE2 3.42Å; E167-F234 VanDerWaalsContact CB-CE2 3.42Å; E167-F234 HydrophobicContact CB-CG 3.99Å; E167-F234 HydrophobicContact CB-CZ 3.91Å; E167-F234 HydrophobicContact CG-CD2 3.88Å; E167-F234 HydrophobicContact CG-CE2 4.27Å; E167-F234 HydrophobicContact CG-CG 4.4Å
168	L	96.1	Very high	94.1	Very high	15 Å²	15	72 Å²	72	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-41.6	178.1	-74.2	169.2	0	0	0	112.3	L164 I165 R170 C171 F177 F234	L164-L168 HydrophobicContact CD1-CD1 3.86Å; L164-L168 HydrophobicContact CD1-CG 4.04Å; L164-L168 HydrophobicContact CG-CD1 3.78Å; L164-L168 HydrophobicContact CG-CG 4.39Å; L164-L168 WeakPolarHBondContact O-CB 3.32Å; L164-L168 VanDerWaalsContact O-CG 3.22Å; L164-L168 WeakPolarHBondContact O-CG 3.32Å; L164-L168 PolarHBondContact O-N 3.33Å; I165-L168 PolarHBondContact O-N 2.94Å; L168-R170 PolarHBondContact O-N 2.89Å; L168-C171 WeakPolarHBondContact O-CB 3.5Å; L168-C171 PolarHBondContact O-N 3.43Å; L168-F177 HydrophobicContact CB-CD2 4.32Å; L168-F234 HydrophobicContact CD2-CZ 3.8Å; L168-F234 HydrophobicContact CG-CZ 4.16Å
169	K	95.3	Very high	94.4	Very high	173 Å²	173	67.2 Å²	67.2	75%	0.752	33%	0.329	S	S	*	.	H	α-helix	trans	-62.4	-23.2	175.7	-76.4	179.9	178.2	-175.9	0	113.4	I165 E167	I165-K169 HydrophobicContact CG2-CD 4.23Å; I165-K169 WeakPolarHBondContact O-CG 3.24Å; I165-K169 PolarHBondContact O-N 3.34Å; E167-K169 PolarHBondContact O-N 3.45Å
170	R	93.2	Very high	94.6	Very high	150 Å²	150	64 Å²	64	57%	0.566	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.4	177.2	-64.6	175.7	64.8	127	9.8	112.9	Y115 T166 E167 L168	Y115-R170 PolarHBondContact OH-NH1 3.5Å; T166-R170 WeakPolarHBondContact O-CG 3.44Å; T166-R170 PolarHBondContact O-N 3.07Å; E167-R170 CarbonylContact O-C 3.37Å; E167-R170 PolarHBondContact O-N 3.47Å; E167-R170 VanDerWaalsContact O-N 3.08Å; L168-R170 PolarHBondContact O-N 2.89Å
171	C	92.9	Very high	94.8	Very high	22 Å²	22	67.1 Å²	67.1	15%	0.149	32%	0.322	C	S	.	.			trans	-89.9	115	-174.8	-177.2	0	0	0	0	110.3	E167 L168 N173 F234	E167-C171 PolarHBondContact O-N 2.67Å; E167-C171 VanDerWaalsContact O-N 3.12Å; L168-C171 WeakPolarHBondContact O-CB 3.5Å; L168-C171 PolarHBondContact O-N 3.43Å; C171-N173 VanDerWaalsContact C-N 3.29Å; C171-F234 HydrophobicContact CB-CE1 3.81Å
172	E	91.5	Very high	95	Very high	197 Å²	197	67.9 Å²	67.9	92%	0.921	32%	0.324	S	S	*	.			trans	-78.1	-17.4	175.4	-62.3	179.2	176.4	0	0	112.4	L174	E172-L174 PolarHBondContact O-N 3.4Å; E172-L174 VanDerWaalsContact O-N 3.15Å
173	N	94.4	Very high	95.1	Very high	49 Å²	49	64.2 Å²	64.2	26%	0.262	30%	0.303	S	S	.	.			trans	-75.8	106.3	179.8	-170.6	-42.8	0	0	0	111	C171 R175 V176 F177 Y233	C171-N173 VanDerWaalsContact C-N 3.29Å; N173-R175 PolarHBondContact O-N 3.28Å; N173-R175 VanDerWaalsContact OD1-CB 3.25Å; N173-R175 WeakPolarHBondContact OD1-CB 3.19Å; N173-R175 PolarHBondContact OD1-N 3.12Å; N173-V176 HydrophobicContact CB-CB 4.27Å; N173-V176 HydrophobicContact CB-CG2 4.04Å; N173-V176 PolarHBondContact O-N 3.08Å; N173-V176 PolarHBondContact OD1-N 3.43Å; N173-F177 PolarHBondContact O-N 3.01Å; N173-Y233 HydrophobicContact CB-CE1 4.4Å; N173-Y233 WeakPolarHBondContact CB-OH 3.45Å; N173-Y233 PolarHBondContact ND2-OH 3.3Å; N173-Y233 VanDerWaalsContact ND2-OH 3.14Å
174	L	93.3	Very high	95.1	Very high	107 Å²	107	64.4 Å²	64.4	56%	0.56	31%	0.31	S	S	*	.	H	α-helix	trans	-58.6	-32.6	-179.2	-176.1	63.6	0	0	0	113.4	E172 F177 K178	E172-L174 PolarHBondContact O-N 3.4Å; E172-L174 VanDerWaalsContact O-N 3.15Å; L174-F177 PolarHBondContact O-N 3.18Å; L174-K178 WeakPolarHBondContact O-CG 3.42Å; L174-K178 PolarHBondContact O-N 3.02Å
175	R	92.8	Very high	95.2	Very high	95 Å²	95	67.4 Å²	67.4	36%	0.358	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-47.1	179	-174.4	-179.3	-75.4	-156.9	-3.8	110.2	N173 F177 K178 L179 I247 F249 E253	N173-R175 PolarHBondContact O-N 3.28Å; N173-R175 VanDerWaalsContact OD1-CB 3.25Å; N173-R175 WeakPolarHBondContact OD1-CB 3.19Å; N173-R175 PolarHBondContact OD1-N 3.12Å; R175-F177 VanDerWaalsContact C-N 3.35Å; R175-K178 PolarHBondContact O-N 3.14Å; R175-L179 WeakPolarHBondContact O-CG 3.49Å; R175-L179 PolarHBondContact O-N 2.99Å; R175-L179 VanDerWaalsContact O-N 3.1Å; R175-I247 HydrophobicContact CG-CB 4.17Å; R175-I247 HydrophobicContact CG-CG2 4.14Å; R175-I247 PolarHBondContact NH1-O 3.43Å; R175-F249 HydrophobicContact CG-CE2 4.16Å; R175-F249 HydrophobicContact CG-CZ 4.27Å; R175-E253 IonicContact CZ-OE2 3.63Å; R175-E253 IonicContact NH1-OE2 2.6Å; R175-E253 PolarHBondContact NH1-OE2 3.37Å; R175-E253 IonicContact NH2-OE2 2.8Å
176	V	95.7	Very high	95.3	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65.4	-40.7	176.1	-179.9	0	0	0	0	110.8	N173 K178 L179 G180 Y233 F234 I247	N173-V176 HydrophobicContact CB-CB 4.27Å; N173-V176 HydrophobicContact CB-CG2 4.04Å; N173-V176 PolarHBondContact O-N 3.08Å; N173-V176 PolarHBondContact OD1-N 3.43Å; V176-K178 PolarHBondContact O-N 3.2Å; V176-L179 PolarHBondContact O-N 3.25Å; V176-G180 PolarHBondContact O-N 3.06Å; V176-Y233 HydrophobicContact CB-CD1 4.34Å; V176-Y233 HydrophobicContact CB-CE1 4.45Å; V176-Y233 HydrophobicContact CG1-CD1 3.94Å; V176-Y233 HydrophobicContact CG1-CE1 4.44Å; V176-Y233 HydrophobicContact CG1-CG 4.33Å; V176-Y233 HydrophobicContact CG2-CD1 3.67Å; V176-Y233 HydrophobicContact CG2-CD2 3.68Å; V176-Y233 HydrophobicContact CG2-CE1 3.75Å; V176-Y233 HydrophobicContact CG2-CE2 3.73Å; V176-Y233 HydrophobicContact CG2-CG 3.65Å; V176-F234 HydrophobicContact CG1-CD1 4.4Å; V176-F234 HydrophobicContact CG1-CE1 3.51Å; V176-F234 HydrophobicContact CG1-CZ 3.82Å; V176-I247 HydrophobicContact CG2-CD1 4.22Å; V176-I247 HydrophobicContact CG2-CG1 3.51Å
177	F	96.3	Very high	95.3	Very high	85 Å²	85	68.4 Å²	68.4	37%	0.373	32%	0.319	S	S	.	.	H	α-helix	trans	-57.1	-47.7	176	-176.8	-91.7	0	0	0	112.1	L168 N173 L174 R175 G180 L181	L168-F177 HydrophobicContact CB-CD2 4.32Å; N173-F177 PolarHBondContact O-N 3.01Å; L174-F177 PolarHBondContact O-N 3.18Å; R175-F177 VanDerWaalsContact C-N 3.35Å; F177-G180 PolarHBondContact O-N 3.47Å; F177-L181 PolarHBondContact O-N 3.06Å
178	K	94.9	Very high	95.3	Very high	103 Å²	103	70.3 Å²	70.3	45%	0.448	34%	0.336	S	S	.	.	H	α-helix	trans	-61.2	-44.4	176.5	-74	178.3	-179.4	-175.3	0	112.2	L174 R175 V176 G180 L181 I182	L174-K178 WeakPolarHBondContact O-CG 3.42Å; L174-K178 PolarHBondContact O-N 3.02Å; R175-K178 PolarHBondContact O-N 3.14Å; V176-K178 PolarHBondContact O-N 3.2Å; K178-G180 VanDerWaalsContact C-N 3.34Å; K178-G180 PolarHBondContact O-N 3.23Å; K178-L181 PolarHBondContact O-N 3.23Å; K178-I182 VanDerWaalsContact O-CG1 3.28Å; K178-I182 WeakPolarHBondContact O-CG1 3.26Å; K178-I182 PolarHBondContact O-N 3.14Å
179	L	95.4	Very high	95.4	Very high	13 Å²	13	73 Å²	73	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-41.5	177	-70.2	-178.1	0	0	0	112.1	R175 V176 I182 S183 L226 I247 F249 P261	R175-L179 WeakPolarHBondContact O-CG 3.49Å; R175-L179 PolarHBondContact O-N 2.99Å; R175-L179 VanDerWaalsContact O-N 3.1Å; V176-L179 PolarHBondContact O-N 3.25Å; L179-I182 PolarHBondContact O-N 2.88Å; L179-S183 WeakPolarHBondContact O-CB 3.34Å; L179-S183 PolarHBondContact O-N 2.69Å; L179-L226 HydrophobicContact CD2-CD2 4.28Å; L179-I247 HydrophobicContact CD1-CG1 4.46Å; L179-I247 HydrophobicContact CD1-CG2 3.73Å; L179-F249 HydrophobicContact CD2-CE1 4.42Å; L179-P261 HydrophobicContact CD1-CB 3.67Å; L179-P261 HydrophobicContact CD1-CG 4.01Å; L179-P261 HydrophobicContact CD2-CB 4.42Å; L179-P261 HydrophobicContact CD2-CG 4Å
180	G	96.5	Very high	95.5	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-37.5	175.7	0	0	0	0	0	113.1	V176 F177 K178 S183 G184 C230	V176-G180 PolarHBondContact O-N 3.06Å; F177-G180 PolarHBondContact O-N 3.47Å; K178-G180 VanDerWaalsContact C-N 3.34Å; K178-G180 PolarHBondContact O-N 3.23Å; G180-S183 PolarHBondContact O-N 3.27Å; G180-G184 PolarHBondContact O-N 2.98Å; G180-C230 PolarHBondContact N-SG 2.88Å
181	L	96.4	Very high	95.6	Very high	96 Å²	96	59.8 Å²	59.8	50%	0.503	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-46.7	173.5	-178.9	63.1	0	0	0	111.3	F177 K178 G184 I185	F177-L181 PolarHBondContact O-N 3.06Å; K178-L181 PolarHBondContact O-N 3.23Å; L181-G184 PolarHBondContact O-N 2.95Å; L181-I185 HydrophobicContact CD1-CD1 4.46Å; L181-I185 HydrophobicContact CG-CD1 4.14Å; L181-I185 WeakPolarHBondContact O-CG1 3.42Å; L181-I185 PolarHBondContact O-N 2.91Å
182	I	96.1	Very high	95.8	Very high	60 Å²	60	64 Å²	64	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.7	-67.5	165.6	0	0	0	110.7	K178 L179 G184 I185 W186 L226	K178-I182 VanDerWaalsContact O-CG1 3.28Å; K178-I182 WeakPolarHBondContact O-CG1 3.26Å; K178-I182 PolarHBondContact O-N 3.14Å; L179-I182 PolarHBondContact O-N 2.88Å; I182-G184 VanDerWaalsContact C-N 3.32Å; I182-G184 PolarHBondContact O-N 3.46Å; I182-I185 PolarHBondContact O-N 3.41Å; I182-W186 VanDerWaalsContact CG2-NE1 3.26Å; I182-W186 PolarHBondContact O-N 3.06Å; I182-L226 HydrophobicContact CB-CD1 4.41Å; I182-L226 HydrophobicContact CG2-CD1 3.73Å
183	S	97.1	Very high	96.1	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-56	-45.4	173.8	176.3	0	0	0	0	111.7	L179 G180 W186 W187 A223 G227	L179-S183 WeakPolarHBondContact O-CB 3.34Å; L179-S183 PolarHBondContact O-N 2.69Å; G180-S183 PolarHBondContact O-N 3.27Å; S183-W186 PolarHBondContact O-N 3.43Å; S183-W187 WeakPolarHBondContact O-CB 3.44Å; S183-W187 PolarHBondContact O-N 2.93Å; S183-A223 PolarHBondContact OG-O 3.48Å; S183-G227 PolarHBondContact OG-N 3.49Å
184	G	96.5	Very high	96.1	Very high	28 Å²	28	55.7 Å²	55.7	29%	0.289	28%	0.278	S	S	.	.	H	α-helix	trans	-64.3	-38.6	176.7	0	0	0	0	0	113.8	G180 L181 I182 W187 A188	G180-G184 PolarHBondContact O-N 2.98Å; L181-G184 PolarHBondContact O-N 2.95Å; I182-G184 VanDerWaalsContact C-N 3.32Å; I182-G184 PolarHBondContact O-N 3.46Å; G184-W187 PolarHBondContact O-N 3.41Å; G184-A188 WeakPolarHBondContact O-CB 3.45Å; G184-A188 PolarHBondContact O-N 3.45Å
185	I	96.9	Very high	96.2	Very high	81 Å²	81	53.5 Å²	53.5	42%	0.415	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-47.8	174.9	-69.9	165.7	0	0	0	110.4	L181 I182 W187 A188 L189	L181-I185 HydrophobicContact CD1-CD1 4.46Å; L181-I185 HydrophobicContact CG-CD1 4.14Å; L181-I185 WeakPolarHBondContact O-CG1 3.42Å; L181-I185 PolarHBondContact O-N 2.91Å; I182-I185 PolarHBondContact O-N 3.41Å; I185-W187 VanDerWaalsContact C-N 3.34Å; I185-W187 PolarHBondContact O-N 3.32Å; I185-A188 PolarHBondContact O-N 3.4Å; I185-L189 HydrophobicContact CG2-CD1 3.85Å; I185-L189 HydrophobicContact CG2-CG 4.43Å; I185-L189 WeakPolarHBondContact O-CB 3.38Å; I185-L189 WeakPolarHBondContact O-CG 3.28Å; I185-L189 PolarHBondContact O-N 3.47Å
186	W	97.8	Very high	96.4	Very high	88 Å²	88	50 Å²	50	33%	0.333	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-41.3	176.6	-64.6	149.2	0	0	0	112.3	I182 S183 A188 L189 A190 L219 A223	I182-W186 VanDerWaalsContact CG2-NE1 3.26Å; I182-W186 PolarHBondContact O-N 3.06Å; S183-W186 PolarHBondContact O-N 3.43Å; W186-A188 PolarHBondContact O-N 2.85Å; W186-L189 HydrophobicContact CE3-CD1 3.72Å; W186-L189 HydrophobicContact CZ3-CD1 3.67Å; W186-L189 PolarHBondContact O-N 3.38Å; W186-A190 WeakPolarHBondContact O-CB 3.36Å; W186-A190 PolarHBondContact O-N 2.8Å; W186-L219 HydrophobicContact CD2-CD2 4.27Å; W186-L219 HydrophobicContact CE3-CD2 3.66Å; W186-L219 HydrophobicContact CZ3-CD2 4.13Å; W186-A223 HydrophobicContact CB-CB 3.77Å
187	W	96.6	Very high	96.4	Very high	61 Å²	61	50 Å²	50	23%	0.231	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-47.9	174	166	-112.3	0	0	0	112.1	T161 S183 G184 I185 A190 L191 W216 I220 A223	T161-W187 PolarHBondContact OG1-NE1 3.22Å; S183-W187 WeakPolarHBondContact O-CB 3.44Å; S183-W187 PolarHBondContact O-N 2.93Å; G184-W187 PolarHBondContact O-N 3.41Å; I185-W187 VanDerWaalsContact C-N 3.34Å; I185-W187 PolarHBondContact O-N 3.32Å; W187-A190 PolarHBondContact O-N 2.93Å; W187-L191 WeakPolarHBondContact O-CB 3.2Å; W187-L191 PolarHBondContact O-N 3.2Å; W187-W216 HydrophobicContact CZ3-CH2 4.01Å; W187-W216 HydrophobicContact CZ3-CZ3 4.44Å; W187-I220 HydrophobicContact CE3-CD1 3.35Å; W187-I220 HydrophobicContact CZ3-CD1 3.41Å; W187-I220 VanDerWaalsContact CZ3-CD1 3.41Å; W187-A223 HydrophobicContact CB-CB 4.05Å
188	A	96.5	Very high	96.2	Very high	47 Å²	47	51 Å²	51	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-64.8	-44.8	179.8	0	0	0	0	0	111.9	G184 I185 W186 A190 L191 L192	G184-A188 WeakPolarHBondContact O-CB 3.45Å; G184-A188 PolarHBondContact O-N 3.45Å; I185-A188 PolarHBondContact O-N 3.4Å; W186-A188 PolarHBondContact O-N 2.85Å; A188-A190 VanDerWaalsContact C-N 3.34Å; A188-L191 PolarHBondContact O-N 3.23Å; A188-L192 VanDerWaalsContact O-CG 3.29Å; A188-L192 WeakPolarHBondContact O-CG 3.32Å; A188-L192 PolarHBondContact O-N 2.96Å
189	L	98.1	Very high	96.3	Very high	72 Å²	72	51.6 Å²	51.6	38%	0.377	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-39.9	177.1	-73.6	173	0	0	0	112	I185 W186 L192 C193 L219	I185-L189 HydrophobicContact CG2-CD1 3.85Å; I185-L189 HydrophobicContact CG2-CG 4.43Å; I185-L189 WeakPolarHBondContact O-CB 3.38Å; I185-L189 WeakPolarHBondContact O-CG 3.28Å; I185-L189 PolarHBondContact O-N 3.47Å; W186-L189 HydrophobicContact CE3-CD1 3.72Å; W186-L189 HydrophobicContact CZ3-CD1 3.67Å; W186-L189 PolarHBondContact O-N 3.38Å; L189-L192 HydrophobicContact CD2-CD1 4.46Å; L189-L192 PolarHBondContact O-N 2.66Å; L189-C193 PolarHBondContact O-N 3.48Å; L189-C193 PolarHBondContact O-SG 3.25Å; L189-L219 HydrophobicContact CB-CD1 4.05Å
190	A	97.3	Very high	96.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-54.9	173.3	0	0	0	0	0	109	W186 W187 A188 L192 C193 W194 W216 L219 I220	W186-A190 WeakPolarHBondContact O-CB 3.36Å; W186-A190 PolarHBondContact O-N 2.8Å; W187-A190 PolarHBondContact O-N 2.93Å; A188-A190 VanDerWaalsContact C-N 3.34Å; A190-L192 PolarHBondContact O-N 3.21Å; A190-C193 WeakPolarHBondContact O-CA 3.3Å; A190-C193 WeakPolarHBondContact O-CB 3.23Å; A190-C193 PolarHBondContact O-N 3.29Å; A190-W194 PolarHBondContact O-N 2.85Å; A190-W216 HydrophobicContact CB-CD2 4.38Å; A190-W216 HydrophobicContact CB-CE3 3.29Å; A190-W216 HydrophobicContact CB-CZ3 3.44Å; A190-W216 VanDerWaalsContact CB-CZ3 3.44Å; A190-L219 HydrophobicContact CB-CB 3.63Å; A190-I220 HydrophobicContact CB-CB 4.24Å
191	L	94.6	Very high	96.3	Very high	45 Å²	45	57.6 Å²	57.6	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-39.1	-178	-177.3	62.6	0	0	0	111.9	M154 W187 A188 W194 I195	M154-L191 HydrophobicContact CE-CD1 4.41Å; M154-L191 HydrophobicContact SD-CD1 3.97Å; W187-L191 WeakPolarHBondContact O-CB 3.2Å; W187-L191 PolarHBondContact O-N 3.2Å; A188-L191 PolarHBondContact O-N 3.23Å; L191-W194 PolarHBondContact O-N 3.33Å; L191-I195 HydrophobicContact CD1-CD1 3.94Å; L191-I195 HydrophobicContact CD1-CG1 4.18Å; L191-I195 HydrophobicContact CG-CD1 3.84Å; L191-I195 HydrophobicContact CG-CG1 4.44Å; L191-I195 WeakPolarHBondContact O-CB 3.45Å; L191-I195 VanDerWaalsContact O-CG1 3.28Å; L191-I195 WeakPolarHBondContact O-CG1 3.14Å; L191-I195 PolarHBondContact O-N 3.22Å
192	L	96.6	Very high	96.3	Very high	110 Å²	110	61.5 Å²	61.5	58%	0.576	31%	0.31	S	S	*	.	H	α-helix	trans	-62.1	-45.2	173.9	-71.5	171.9	0	0	0	112.1	A188 L189 A190 S196	A188-L192 VanDerWaalsContact O-CG 3.29Å; A188-L192 WeakPolarHBondContact O-CG 3.32Å; A188-L192 PolarHBondContact O-N 2.96Å; L189-L192 HydrophobicContact CD2-CD1 4.46Å; L189-L192 PolarHBondContact O-N 2.66Å; A190-L192 PolarHBondContact O-N 3.21Å; L192-S196 WeakPolarHBondContact O-CB 3.29Å; L192-S196 PolarHBondContact O-N 2.88Å
193	C	97.8	Very high	96.3	Very high	21 Å²	21	63 Å²	63	14%	0.142	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-46.7	176.3	-64.6	0	0	0	0	111.2	L189 A190 S196 D197 L212 W216	L189-C193 PolarHBondContact O-N 3.48Å; L189-C193 PolarHBondContact O-SG 3.25Å; A190-C193 WeakPolarHBondContact O-CA 3.3Å; A190-C193 WeakPolarHBondContact O-CB 3.23Å; A190-C193 PolarHBondContact O-N 3.29Å; C193-S196 PolarHBondContact O-N 2.93Å; C193-D197 VanDerWaalsContact O-CB 3.31Å; C193-D197 WeakPolarHBondContact O-CB 3.48Å; C193-D197 PolarHBondContact O-N 3.04Å; C193-L212 HydrophobicContact CB-CB 4.33Å; C193-L212 WeakPolarHBondContact CB-O 3.33Å; C193-W216 HydrophobicContact CB-CB 4.45Å
194	W	95.7	Very high	96.3	Very high	50 Å²	50	65.7 Å²	65.7	19%	0.189	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-48.5	179.3	-173.9	97	0	0	0	112.5	W21 M154 A190 L191 S196 R198 H213 W216	W21-W194 AromaticContact CH2-CD1 3.8Å; W21-W194 HydrophobicContact CH2-CD2 4.41Å; W21-W194 AromaticContact CH2-CE2 3.52Å; W21-W194 AromaticContact CH2-CZ2 3.82Å; W21-W194 HydrophobicContact CH2-CZ2 3.82Å; W21-W194 AromaticContact CH2-NE1 3.12Å; W21-W194 AromaticContact CZ3-CD1 3.92Å; W21-W194 HydrophobicContact CZ3-CD2 4.44Å; W21-W194 AromaticContact CZ3-CE2 3.96Å; W21-W194 HydrophobicContact CZ3-CG 4.41Å; W21-W194 HydrophobicContact CZ3-CZ2 4.46Å; W21-W194 AromaticContact CZ3-NE1 3.67Å; M154-W194 HydrophobicContact CE-CD2 4.05Å; M154-W194 HydrophobicContact CE-CE3 3.95Å; M154-W194 HydrophobicContact CE-CH2 3.85Å; M154-W194 HydrophobicContact CE-CZ2 3.9Å; M154-W194 HydrophobicContact CE-CZ3 3.86Å; M154-W194 HydrophobicContact SD-CZ3 4.42Å; A190-W194 PolarHBondContact O-N 2.85Å; L191-W194 PolarHBondContact O-N 3.33Å; W194-S196 VanDerWaalsContact C-N 3.34Å; W194-R198 WeakPolarHBondContact O-CG 3.38Å; W194-R198 PolarHBondContact O-N 3.34Å; W194-H213 AromaticContact CD1-CE1 3.71Å; W194-H213 AromaticContact CD1-ND1 3.92Å; W194-H213 AromaticContact NE1-CE1 4Å; W194-W216 HydrophobicContact CB-CB 4.41Å; W194-W216 HydrophobicContact CB-CD2 3.82Å; W194-W216 HydrophobicContact CB-CE3 3.67Å; W194-W216 HydrophobicContact CB-CG 4.17Å; W194-W216 HydrophobicContact CB-CZ3 4.12Å; W194-W216 AromaticContact CD1-CD1 3.89Å; W194-W216 AromaticContact CD1-CD2 3.76Å; W194-W216 AromaticContact CD1-CE2 3.6Å; W194-W216 AromaticContact CD1-CG 3.94Å; W194-W216 AromaticContact CD1-NE1 3.7Å; W194-W216 HydrophobicContact CG-CD2 4.15Å; W194-W216 HydrophobicContact CG-CE3 4.32Å; W194-W216 HydrophobicContact CG-CG 4.5Å
195	I	94.6	Very high	96.2	Very high	61 Å²	61	66.7 Å²	66.7	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-65.6	-42.5	178.3	-68.7	172.5	0	0	0	110.1	L191 R198 I199	L191-I195 HydrophobicContact CD1-CD1 3.94Å; L191-I195 HydrophobicContact CD1-CG1 4.18Å; L191-I195 HydrophobicContact CG-CD1 3.84Å; L191-I195 HydrophobicContact CG-CG1 4.44Å; L191-I195 WeakPolarHBondContact O-CB 3.45Å; L191-I195 VanDerWaalsContact O-CG1 3.28Å; L191-I195 WeakPolarHBondContact O-CG1 3.14Å; L191-I195 PolarHBondContact O-N 3.22Å; I195-R198 PolarHBondContact O-N 3.16Å; I195-I199 HydrophobicContact CG2-CD1 3.61Å; I195-I199 HydrophobicContact CG2-CG1 4.25Å; I195-I199 WeakPolarHBondContact O-CG1 3.5Å; I195-I199 PolarHBondContact O-N 3.33Å
196	S	96.6	Very high	96.2	Very high	21 Å²	21	67 Å²	67	15%	0.147	34%	0.338	C	S	.	.	H	α-helix	trans	-69	-39	-175.2	-166.2	0	0	0	0	112.3	L192 C193 W194 R198 F200 W204	L192-S196 WeakPolarHBondContact O-CB 3.29Å; L192-S196 PolarHBondContact O-N 2.88Å; C193-S196 PolarHBondContact O-N 2.93Å; W194-S196 VanDerWaalsContact C-N 3.34Å; S196-R198 VanDerWaalsContact C-N 3.31Å; S196-R198 PolarHBondContact O-N 2.91Å; S196-F200 WeakPolarHBondContact O-CA 3.44Å; S196-F200 WeakPolarHBondContact O-CB 3.34Å; S196-F200 PolarHBondContact O-N 3.42Å; S196-W204 PolarHBondContact O-NE1 3.14Å; S196-W204 PolarHBondContact OG-NE1 2.94Å
197	D	96.6	Very high	96.1	Very high	1 Å²	1	67 Å²	67	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-58.3	-44.2	172.7	-161	92.7	0	0	0	110.9	C22 C193 C201 L212 H213	C22-D197 WeakPolarHBondContact CB-OD2 3.3Å; C22-D197 PolarHBondContact N-OD2 2.86Å; C193-D197 VanDerWaalsContact O-CB 3.31Å; C193-D197 WeakPolarHBondContact O-CB 3.48Å; C193-D197 PolarHBondContact O-N 3.04Å; D197-C201 VanDerWaalsContact O-CB 3.32Å; D197-C201 WeakPolarHBondContact O-CB 3.4Å; D197-C201 PolarHBondContact O-N 3.28Å; D197-L212 HydrophobicContact CB-CB 3.92Å; D197-L212 PolarHBondContact OD1-N 2.82Å; D197-H213 HydrophobicContact CB-CB 4.39Å; D197-H213 PolarHBondContact OD1-N 3.37Å
198	R	92.8	Very high	96	Very high	107 Å²	107	70.6 Å²	70.6	40%	0.404	37%	0.372	S	S	.	.	H	α-helix	trans	-73.3	-43.4	-178.1	-70.2	-70.3	-83.8	-176.6	-4.3	114.5	D20 W21 W194 I195 S196	D20-R198 PolarHBondContact O-NH1 2.63Å; W21-R198 HydrophobicContact CE3-CG 3.92Å; W21-R198 HydrophobicContact CH2-CG 4.07Å; W21-R198 HydrophobicContact CZ3-CG 3.33Å; W194-R198 WeakPolarHBondContact O-CG 3.38Å; W194-R198 PolarHBondContact O-N 3.34Å; I195-R198 PolarHBondContact O-N 3.16Å; S196-R198 VanDerWaalsContact C-N 3.31Å; S196-R198 PolarHBondContact O-N 2.91Å
199	I	95.7	Very high	96	Very high	115 Å²	115	73.2 Å²	73.2	59%	0.59	37%	0.374	S	S	*	.	H	α-helix	trans	-87.2	-36.4	-173.1	-63.1	-179.3	0	0	0	111.5	I195	I195-I199 HydrophobicContact CG2-CD1 3.61Å; I195-I199 HydrophobicContact CG2-CG1 4.25Å; I195-I199 WeakPolarHBondContact O-CG1 3.5Å; I195-I199 PolarHBondContact O-N 3.33Å
200	F	96.4	Very high	95.9	Very high	101 Å²	101	70.5 Å²	70.5	44%	0.443	36%	0.361	S	S	.	.	S	Bend	trans	-112.8	29.1	-171.7	-52.8	-74.8	0	0	0	112.6	S196 E202 M203 W204	S196-F200 WeakPolarHBondContact O-CA 3.44Å; S196-F200 WeakPolarHBondContact O-CB 3.34Å; S196-F200 PolarHBondContact O-N 3.42Å; F200-E202 VanDerWaalsContact C-N 3.32Å; F200-E202 PolarHBondContact O-N 3.26Å; F200-M203 HydrophobicContact CB-CB 4.28Å; F200-M203 HydrophobicContact CB-CE 3.76Å; F200-M203 HydrophobicContact CG-CE 4.27Å; F200-M203 WeakPolarHBondContact O-CB 3.37Å; F200-M203 PolarHBondContact O-N 2.95Å; F200-M203 VanDerWaalsContact O-N 3.09Å; F200-W204 PolarHBondContact O-N 3.35Å; F200-W204 VanDerWaalsContact O-N 3.08Å
201	C	96.1	Very high	95.8	Very high	38 Å²	38	74 Å²	74	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-56.1	-43.7	-177.4	177.3	0	0	0	0	113.2	C22 D197 M203 W204 S205	C22-C201 WeakPolarHBondContact CA-SG 3.28Å; C22-C201 HydrophobicContact CB-CB 3.77Å; C22-C201 WeakPolarHBondContact CB-SG 3.43Å; C22-C201 VanDerWaalsContact SG-C 3.59Å; C22-C201 WeakPolarHBondContact SG-CA 3.45Å; C22-C201 WeakPolarHBondContact SG-CB 3.33Å; C22-C201 PolarHBondContact SG-O 3.36Å; C22-C201 CovalentContact SG-SG 2.05Å; C22-C201 PolarHBondContact SG-SG 3.11Å; D197-C201 VanDerWaalsContact O-CB 3.32Å; D197-C201 WeakPolarHBondContact O-CB 3.4Å; D197-C201 PolarHBondContact O-N 3.28Å; C201-M203 VanDerWaalsContact C-N 3.26Å; C201-M203 PolarHBondContact O-N 3.41Å; C201-W204 PolarHBondContact O-N 3.26Å; C201-S205 VanDerWaalsContact O-CB 3.32Å; C201-S205 WeakPolarHBondContact O-CB 3.45Å; C201-S205 PolarHBondContact O-N 3.4Å; C201-S205 PolarHBondContact O-OG 3.18Å
202	E	95.8	Very high	96	Very high	178 Å²	178	72.8 Å²	72.8	83%	0.832	37%	0.369	S	S	*	.	H	α-helix	trans	-58.3	-40.4	178.5	-65.6	-174.7	170	0	0	111.9	F200 S206	F200-E202 VanDerWaalsContact C-N 3.32Å; F200-E202 PolarHBondContact O-N 3.26Å; E202-S206 WeakPolarHBondContact O-CB 3.43Å; E202-S206 PolarHBondContact O-N 3.14Å
203	M	96.8	Very high	96.1	Very high	91 Å²	91	67.7 Å²	67.7	45%	0.448	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-49.2	176.8	-178.9	-173.6	75.3	0	0	111.1	F200 C201 S205 S206 V207	F200-M203 HydrophobicContact CB-CB 4.28Å; F200-M203 HydrophobicContact CB-CE 3.76Å; F200-M203 HydrophobicContact CG-CE 4.27Å; F200-M203 WeakPolarHBondContact O-CB 3.37Å; F200-M203 PolarHBondContact O-N 2.95Å; F200-M203 VanDerWaalsContact O-N 3.09Å; C201-M203 VanDerWaalsContact C-N 3.26Å; C201-M203 PolarHBondContact O-N 3.41Å; M203-S205 VanDerWaalsContact C-N 3.35Å; M203-S205 PolarHBondContact O-N 2.92Å; M203-S206 PolarHBondContact O-N 2.85Å; M203-S206 PolarHBondContact O-OG 3Å; M203-V207 PolarHBondContact O-N 3.22Å
204	W	96.6	Very high	96	Very high	63 Å²	63	67.9 Å²	67.9	24%	0.239	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-37.8	-179.7	-67.3	119.7	0	0	0	112.9	S196 F200 C201 V207 N208 F209 L212	S196-W204 PolarHBondContact O-NE1 3.14Å; S196-W204 PolarHBondContact OG-NE1 2.94Å; F200-W204 PolarHBondContact O-N 3.35Å; F200-W204 VanDerWaalsContact O-N 3.08Å; C201-W204 PolarHBondContact O-N 3.26Å; W204-V207 HydrophobicContact CE3-CG2 4.12Å; W204-V207 VanDerWaalsContact O-CG2 3.26Å; W204-V207 WeakPolarHBondContact O-CG2 3.5Å; W204-V207 PolarHBondContact O-N 2.75Å; W204-N208 PolarHBondContact O-N 3.06Å; W204-F209 HydrophobicContact CE3-CD1 4.25Å; W204-F209 CarbonylContact O-C 3.54Å; W204-F209 PolarHBondContact O-N 3.35Å; W204-L212 HydrophobicContact CD2-CD1 3.81Å; W204-L212 HydrophobicContact CD2-CG 4.43Å; W204-L212 HydrophobicContact CE3-CD1 4.48Å; W204-L212 HydrophobicContact CG-CD1 4.16Å; W204-L212 HydrophobicContact CH2-CD1 4.32Å; W204-L212 HydrophobicContact CZ2-CD1 3.61Å; W204-L212 VanDerWaalsContact NE1-CD1 3.32Å
205	S	94.6	Very high	96.2	Very high	49 Å²	49	67 Å²	67	34%	0.343	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-40.9	172.9	-64.8	0	0	0	0	111.6	C22 C201 M203 V207 N208	C22-S205 PolarHBondContact SG-OG 3.38Å; C22-S205 VanDerWaalsContact SG-OG 3.33Å; C201-S205 VanDerWaalsContact O-CB 3.32Å; C201-S205 WeakPolarHBondContact O-CB 3.45Å; C201-S205 PolarHBondContact O-N 3.4Å; C201-S205 PolarHBondContact O-OG 3.18Å; M203-S205 VanDerWaalsContact C-N 3.35Å; M203-S205 PolarHBondContact O-N 2.92Å; S205-V207 PolarHBondContact O-N 2.98Å; S205-N208 PolarHBondContact O-N 3.05Å
206	S	96.1	Very high	96.3	Very high	88 Å²	88	64.8 Å²	64.8	62%	0.615	33%	0.334	S	S	*	.	H	α-helix	trans	-62.7	-26.6	179.2	78.3	0	0	0	0	113.9	E202 M203	E202-S206 WeakPolarHBondContact O-CB 3.43Å; E202-S206 PolarHBondContact O-N 3.14Å; M203-S206 PolarHBondContact O-N 2.85Å; M203-S206 PolarHBondContact O-OG 3Å
207	V	96.3	Very high	96.4	Very high	88 Å²	88	64 Å²	64	53%	0.533	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	11.7	175.6	-58.4	0	0	0	0	113	M203 W204 S205 F209	M203-V207 PolarHBondContact O-N 3.22Å; W204-V207 HydrophobicContact CE3-CG2 4.12Å; W204-V207 VanDerWaalsContact O-CG2 3.26Å; W204-V207 WeakPolarHBondContact O-CG2 3.5Å; W204-V207 PolarHBondContact O-N 2.75Å; S205-V207 PolarHBondContact O-N 2.98Å; V207-F209 VanDerWaalsContact C-N 3.3Å; V207-F209 HydrophobicContact CG2-CB 4.19Å; V207-F209 PolarHBondContact O-N 3.39Å
208	N	95	Very high	96.5	Very high	137 Å²	137	67 Å²	67	73%	0.733	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	34.7	-178.6	-55.3	-68.3	0	0	0	114.3	W204 S205 P210	W204-N208 PolarHBondContact O-N 3.06Å; S205-N208 PolarHBondContact O-N 3.05Å; N208-P210 VanDerWaalsContact C-CD 3.43Å
209	F	95.8	Very high	96.8	Very high	101 Å²	101	63.2 Å²	63.2	44%	0.443	33%	0.331	S	S	.	.			trans	-129.8	56.3	178.1	-163.1	-103.2	0	0	0	114	W204 V207 Y211 L212	W204-F209 HydrophobicContact CE3-CD1 4.25Å; W204-F209 CarbonylContact O-C 3.54Å; W204-F209 PolarHBondContact O-N 3.35Å; V207-F209 VanDerWaalsContact C-N 3.3Å; V207-F209 HydrophobicContact CG2-CB 4.19Å; V207-F209 PolarHBondContact O-N 3.39Å; F209-Y211 HydrophobicContact CD2-CD2 4.12Å; F209-Y211 HydrophobicContact CE2-CD2 4.37Å; F209-Y211 PolarHBondContact O-N 3.47Å; F209-L212 HydrophobicContact CD1-CD2 4.4Å; F209-L212 HydrophobicContact CE1-CD2 3.84Å; F209-L212 HydrophobicContact CE1-CG 4.43Å
210	P	95.5	Very high	96.9	Very high	15 Å²	15	59 Å²	59	10%	0.097	31%	0.31	C	S	.	.			trans	-81.5	41.5	-179.5	38.1	-39.9	0	0	0	113.3	C22 E23 N208	C22-P210 HydrophobicContact CB-CB 4.14Å; C22-P210 WeakPolarHBondContact O-CB 3.36Å; E23-P210 PolarHBondContact N-O 3.33Å; N208-P210 VanDerWaalsContact C-CD 3.43Å
211	Y	97.1	Very high	97	Very high	74 Å²	74	54.2 Å²	54.2	29%	0.29	29%	0.289	S	S	.	.			trans	-121.6	20.5	-169.9	-49.7	-63.5	0	0	0	113.3	E23 Y36 F209 H213 C214 A215	E23-Y211 HydrophobicContact CG-CD1 4.28Å; E23-Y211 HydrophobicContact CG-CE1 4.1Å; Y36-Y211 AromaticContact CD2-CD1 3.73Å; Y36-Y211 HydrophobicContact CD2-CD1 3.73Å; Y36-Y211 AromaticContact CD2-CE1 3.31Å; Y36-Y211 HydrophobicContact CD2-CE1 3.31Å; Y36-Y211 AromaticContact CD2-CZ 4Å; Y36-Y211 HydrophobicContact CE2-CD1 4.48Å; Y36-Y211 AromaticContact CE2-CE1 3.77Å; Y36-Y211 HydrophobicContact CE2-CE1 3.77Å; Y36-Y211 AromaticContact CE2-CZ 3.97Å; Y36-Y211 HydrophobicContact CG-CD1 4.13Å; Y36-Y211 HydrophobicContact CG-CE1 4.17Å; F209-Y211 HydrophobicContact CD2-CD2 4.12Å; F209-Y211 HydrophobicContact CE2-CD2 4.37Å; F209-Y211 PolarHBondContact O-N 3.47Å; Y211-H213 VanDerWaalsContact C-N 3.27Å; Y211-H213 PolarHBondContact O-N 3.49Å; Y211-C214 WeakPolarHBondContact O-CB 3.28Å; Y211-C214 PolarHBondContact O-N 2.88Å; Y211-A215 PolarHBondContact O-N 2.86Å
212	L	97.8	Very high	97	Very high	20 Å²	20	54.7 Å²	54.7	11%	0.105	29%	0.289	C	S	.	.	H	α-helix	trans	-68.9	-30	179.3	-73.9	-173.5	0	0	0	111.7	C193 D197 W204 F209 C214 A215 W216	C193-L212 HydrophobicContact CB-CB 4.33Å; C193-L212 WeakPolarHBondContact CB-O 3.33Å; D197-L212 HydrophobicContact CB-CB 3.92Å; D197-L212 PolarHBondContact OD1-N 2.82Å; W204-L212 HydrophobicContact CD2-CD1 3.81Å; W204-L212 HydrophobicContact CD2-CG 4.43Å; W204-L212 HydrophobicContact CE3-CD1 4.48Å; W204-L212 HydrophobicContact CG-CD1 4.16Å; W204-L212 HydrophobicContact CH2-CD1 4.32Å; W204-L212 HydrophobicContact CZ2-CD1 3.61Å; W204-L212 VanDerWaalsContact NE1-CD1 3.32Å; F209-L212 HydrophobicContact CD1-CD2 4.4Å; F209-L212 HydrophobicContact CE1-CD2 3.84Å; F209-L212 HydrophobicContact CE1-CG 4.43Å; L212-C214 VanDerWaalsContact C-N 3.33Å; L212-C214 PolarHBondContact O-N 3.35Å; L212-A215 WeakPolarHBondContact O-CB 3.3Å; L212-A215 PolarHBondContact O-N 2.73Å; L212-A215 VanDerWaalsContact O-N 3.15Å; L212-W216 PolarHBondContact O-N 3.15Å
213	H	98	Very high	97.1	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-35.1	173.1	-159.6	67.6	0	0	0	113.3	W21 H84 W194 D197 Y211 A215 W216 H217	W21-H213 HydrophobicContact CB-CB 4.45Å; W21-H213 HydrophobicContact CD2-CB 4.32Å; W21-H213 AromaticContact CD2-CD2 3.63Å; W21-H213 AromaticContact CD2-CE1 3.48Å; W21-H213 VanDerWaalsContact CD2-CE1 3.48Å; W21-H213 AromaticContact CD2-CG 3.56Å; W21-H213 AromaticContact CD2-ND1 3.49Å; W21-H213 AromaticContact CD2-NE2 3.58Å; W21-H213 AromaticContact CE2-CD2 3.9Å; W21-H213 AromaticContact CE2-CE1 3.38Å; W21-H213 AromaticContact CE2-ND1 3.91Å; W21-H213 AromaticContact CE2-NE2 3.37Å; W21-H213 HydrophobicContact CE3-CB 4.04Å; W21-H213 AromaticContact CE3-CD2 3.99Å; W21-H213 AromaticContact CE3-CE1 3.38Å; W21-H213 AromaticContact CE3-CG 3.44Å; W21-H213 VanDerWaalsContact CE3-CG 3.44Å; W21-H213 AromaticContact CE3-ND1 3.04Å; W21-H213 AromaticContact CE3-NE2 3.95Å; W21-H213 HydrophobicContact CG-CB 4.47Å; W21-H213 AromaticContact CG-CD2 3.83Å; W21-H213 AromaticContact CG-CG 3.98Å; W21-H213 AromaticContact CH2-CE1 3.28Å; W21-H213 WeakPolarHBondContact CH2-CE1 3.23Å; W21-H213 AromaticContact CH2-ND1 3.7Å; W21-H213 AromaticContact CZ2-CE1 3.31Å; W21-H213 WeakPolarHBondContact CZ2-CE1 2.97Å; W21-H213 AromaticContact CZ2-NE2 3.67Å; W21-H213 AromaticContact CZ3-CE1 3.23Å; W21-H213 WeakPolarHBondContact CZ3-CE1 3.39Å; W21-H213 AromaticContact CZ3-ND1 3.11Å; W21-H213 WeakPolarHBondContact CZ3-ND1 3.44Å; W21-H213 AromaticContact NE1-NE2 3.73Å; H84-H213 AromaticContact CE1-CD2 3.39Å; H84-H213 PolarHBondContact CE1-CD2 3.33Å; H84-H213 AromaticContact CE1-NE2 3.38Å; H84-H213 PolarHBondContact CE1-NE2 2.92Å; H84-H213 AromaticContact NE2-CD2 3.77Å; H84-H213 AromaticContact NE2-NE2 3.53Å; W194-H213 AromaticContact CD1-CE1 3.71Å; W194-H213 AromaticContact CD1-ND1 3.92Å; W194-H213 AromaticContact NE1-CE1 4Å; D197-H213 HydrophobicContact CB-CB 4.39Å; D197-H213 PolarHBondContact OD1-N 3.37Å; Y211-H213 VanDerWaalsContact C-N 3.27Å; Y211-H213 PolarHBondContact O-N 3.49Å; H213-A215 VanDerWaalsContact C-N 3.32Å; H213-A215 PolarHBondContact O-N 3.45Å; H213-W216 AromaticContact CE1-CD1 3.55Å; H213-W216 AromaticContact ND1-CD1 3.9Å; H213-W216 WeakPolarHBondContact O-CA 3.37Å; H213-W216 VanDerWaalsContact O-CB 3.23Å; H213-W216 WeakPolarHBondContact O-CB 3.06Å; H213-W216 PolarHBondContact O-N 2.95Å; H213-W216 VanDerWaalsContact O-N 3.08Å; H213-H217 AromaticContact CD2-CE1 3.54Å; H213-H217 AromaticContact CD2-NE2 3.48Å; H213-H217 PolarHBondContact CD2-NE2 2.8Å; H213-H217 AromaticContact NE2-CE1 3.77Å; H213-H217 AromaticContact NE2-NE2 3.22Å; H213-H217 PolarHBondContact NE2-NE2 3.16Å; H213-H217 PolarHBondContact O-N 2.91Å
214	C	97.3	Very high	97.1	Very high	25 Å²	25	43.7 Å²	43.7	17%	0.169	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-43.1	169.7	159.9	0	0	0	0	111.6	N37 S40 Y211 L212 W216 H217 I218	N37-C214 PolarHBondContact OD1-N 3.07Å; S40-C214 WeakPolarHBondContact CB-SG 3.24Å; Y211-C214 WeakPolarHBondContact O-CB 3.28Å; Y211-C214 PolarHBondContact O-N 2.88Å; L212-C214 VanDerWaalsContact C-N 3.33Å; L212-C214 PolarHBondContact O-N 3.35Å; C214-W216 VanDerWaalsContact C-N 3.28Å; C214-W216 PolarHBondContact O-N 3.01Å; C214-H217 PolarHBondContact O-N 2.89Å; C214-I218 PolarHBondContact O-N 3.28Å
215	A	98.1	Very high	97.1	Very high	31 Å²	31	41.2 Å²	41.2	26%	0.256	23%	0.231	S	C	.	.	H	α-helix	trans	-63.5	-35.7	174.9	0	0	0	0	0	111.8	Y211 L212 H213 H217 I218 L219	Y211-A215 PolarHBondContact O-N 2.86Å; L212-A215 WeakPolarHBondContact O-CB 3.3Å; L212-A215 PolarHBondContact O-N 2.73Å; L212-A215 VanDerWaalsContact O-N 3.15Å; H213-A215 VanDerWaalsContact C-N 3.32Å; H213-A215 PolarHBondContact O-N 3.45Å; A215-H217 PolarHBondContact O-N 2.8Å; A215-I218 PolarHBondContact O-N 2.91Å; A215-L219 HydrophobicContact CB-CD1 4.47Å; A215-L219 WeakPolarHBondContact O-CB 3.48Å; A215-L219 WeakPolarHBondContact O-CD1 3.32Å; A215-L219 WeakPolarHBondContact O-CG 3.28Å; A215-L219 PolarHBondContact O-N 2.9Å
216	W	98.1	Very high	97.3	Very high	14 Å²	14	39.5 Å²	39.5	5%	0.053	22%	0.218	C	C	.	.	H	α-helix	trans	-54.8	-50.9	173	158.9	-101.8	0	0	0	111.7	W187 A190 C193 W194 L212 H213 C214 I218 L219 I220	W187-W216 HydrophobicContact CZ3-CH2 4.01Å; W187-W216 HydrophobicContact CZ3-CZ3 4.44Å; A190-W216 HydrophobicContact CB-CD2 4.38Å; A190-W216 HydrophobicContact CB-CE3 3.29Å; A190-W216 HydrophobicContact CB-CZ3 3.44Å; A190-W216 VanDerWaalsContact CB-CZ3 3.44Å; C193-W216 HydrophobicContact CB-CB 4.45Å; W194-W216 HydrophobicContact CB-CB 4.41Å; W194-W216 HydrophobicContact CB-CD2 3.82Å; W194-W216 HydrophobicContact CB-CE3 3.67Å; W194-W216 HydrophobicContact CB-CG 4.17Å; W194-W216 HydrophobicContact CB-CZ3 4.12Å; W194-W216 AromaticContact CD1-CD1 3.89Å; W194-W216 AromaticContact CD1-CD2 3.76Å; W194-W216 AromaticContact CD1-CE2 3.6Å; W194-W216 AromaticContact CD1-CG 3.94Å; W194-W216 AromaticContact CD1-NE1 3.7Å; W194-W216 HydrophobicContact CG-CD2 4.15Å; W194-W216 HydrophobicContact CG-CE3 4.32Å; W194-W216 HydrophobicContact CG-CG 4.5Å; L212-W216 PolarHBondContact O-N 3.15Å; H213-W216 AromaticContact CE1-CD1 3.55Å; H213-W216 AromaticContact ND1-CD1 3.9Å; H213-W216 WeakPolarHBondContact O-CA 3.37Å; H213-W216 VanDerWaalsContact O-CB 3.23Å; H213-W216 WeakPolarHBondContact O-CB 3.06Å; H213-W216 PolarHBondContact O-N 2.95Å; H213-W216 VanDerWaalsContact O-N 3.08Å; C214-W216 VanDerWaalsContact C-N 3.28Å; C214-W216 PolarHBondContact O-N 3.01Å; W216-I218 VanDerWaalsContact C-N 3.33Å; W216-I218 PolarHBondContact O-N 2.96Å; W216-L219 PolarHBondContact O-N 2.64Å; W216-I220 HydrophobicContact CD2-CB 4.19Å; W216-I220 HydrophobicContact CD2-CG2 4.28Å; W216-I220 HydrophobicContact CE3-CB 4.22Å; W216-I220 HydrophobicContact CH2-CB 4.28Å; W216-I220 HydrophobicContact CH2-CD1 3.85Å; W216-I220 HydrophobicContact CH2-CG1 3.92Å; W216-I220 HydrophobicContact CZ2-CB 4.2Å; W216-I220 HydrophobicContact CZ2-CD1 4.34Å; W216-I220 HydrophobicContact CZ2-CG1 3.9Å; W216-I220 HydrophobicContact CZ2-CG2 4.4Å; W216-I220 HydrophobicContact CZ3-CB 4.28Å; W216-I220 HydrophobicContact CZ3-CD1 4.16Å; W216-I220 HydrophobicContact CZ3-CG1 4.34Å; W216-I220 WeakPolarHBondContact O-CB 3.36Å; W216-I220 WeakPolarHBondContact O-CG2 3.35Å; W216-I220 PolarHBondContact O-N 2.93Å
217	H	98.5	Very high	97.3	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-55.3	-46.1	-179.6	-63	150	0	0	0	113.2	N37 S40 S80 H84 H213 C214 A215 I220 C221	N37-H217 PolarHBondContact O-CE1 3.32Å; N37-H217 VanDerWaalsContact O-CE1 3.3Å; N37-H217 PolarHBondContact O-ND1 3.33Å; N37-H217 VanDerWaalsContact O-ND1 3.15Å; S40-H217 PolarHBondContact OG-ND1 2.86Å; S80-H217 PolarHBondContact OG-NE2 2.89Å; H84-H217 AromaticContact CD2-CE1 3.47Å; H84-H217 PolarHBondContact CD2-CE1 3.39Å; H84-H217 VanDerWaalsContact CD2-CE1 3.47Å; H84-H217 AromaticContact CD2-NE2 3.88Å; H84-H217 AromaticContact CE1-CE1 3.9Å; H84-H217 AromaticContact NE2-CE1 3.15Å; H84-H217 PolarHBondContact NE2-CE1 3.38Å; H84-H217 AromaticContact NE2-NE2 3.2Å; H84-H217 PolarHBondContact NE2-NE2 2.77Å; H213-H217 AromaticContact CD2-CE1 3.54Å; H213-H217 AromaticContact CD2-NE2 3.48Å; H213-H217 PolarHBondContact CD2-NE2 2.8Å; H213-H217 AromaticContact NE2-CE1 3.77Å; H213-H217 AromaticContact NE2-NE2 3.22Å; H213-H217 PolarHBondContact NE2-NE2 3.16Å; H213-H217 PolarHBondContact O-N 2.91Å; C214-H217 PolarHBondContact O-N 2.89Å; A215-H217 PolarHBondContact O-N 2.8Å; H217-I220 WeakPolarHBondContact O-CG2 3.49Å; H217-C221 VanDerWaalsContact O-CB 3.24Å; H217-C221 WeakPolarHBondContact O-CB 3.37Å; H217-C221 PolarHBondContact O-N 3.3Å
218	I	98.4	Very high	97.4	Very high	64 Å²	64	32 Å²	32	33%	0.328	17%	0.171	S	C	.	.	H	α-helix	trans	-65.7	-51.1	-179.4	-64.4	171.2	0	0	0	110	L43 C214 A215 W216 C221 L222	L43-I218 HydrophobicContact CD1-CB 4.39Å; L43-I218 HydrophobicContact CD1-CG1 4.47Å; L43-I218 HydrophobicContact CD1-CG2 3.83Å; C214-I218 PolarHBondContact O-N 3.28Å; A215-I218 PolarHBondContact O-N 2.91Å; W216-I218 VanDerWaalsContact C-N 3.33Å; W216-I218 PolarHBondContact O-N 2.96Å; I218-C221 PolarHBondContact O-N 2.99Å; I218-L222 HydrophobicContact CG2-CD1 4.21Å; I218-L222 WeakPolarHBondContact O-CG 3.19Å; I218-L222 PolarHBondContact O-N 3.42Å; I218-L222 VanDerWaalsContact O-N 3.08Å
219	L	98.4	Very high	97.6	Very high	28 Å²	28	25.5 Å²	25.5	15%	0.147	14%	0.136	C	C	.	.	H	α-helix	trans	-67	-40.6	-175.7	-66	171.2	0	0	0	111.9	W186 L189 A190 A215 W216 L222 A223	W186-L219 HydrophobicContact CD2-CD2 4.27Å; W186-L219 HydrophobicContact CE3-CD2 3.66Å; W186-L219 HydrophobicContact CZ3-CD2 4.13Å; L189-L219 HydrophobicContact CB-CD1 4.05Å; A190-L219 HydrophobicContact CB-CB 3.63Å; A215-L219 HydrophobicContact CB-CD1 4.47Å; A215-L219 WeakPolarHBondContact O-CB 3.48Å; A215-L219 WeakPolarHBondContact O-CD1 3.32Å; A215-L219 WeakPolarHBondContact O-CG 3.28Å; A215-L219 PolarHBondContact O-N 2.9Å; W216-L219 PolarHBondContact O-N 2.64Å; L219-L222 PolarHBondContact O-N 3.15Å; L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.35Å; L219-A223 PolarHBondContact O-N 2.65Å
220	I	97.8	Very high	97.7	Very high	26 Å²	26	20.7 Å²	20.7	13%	0.133	12%	0.115	C	C	.	.	H	α-helix	trans	-70.6	-36.4	179	-166.5	58	0	0	0	111.8	F44 W187 A190 W216 H217 A223 S224	F44-I220 HydrophobicContact CZ-CG2 4.14Å; W187-I220 HydrophobicContact CE3-CD1 3.35Å; W187-I220 HydrophobicContact CZ3-CD1 3.41Å; W187-I220 VanDerWaalsContact CZ3-CD1 3.41Å; A190-I220 HydrophobicContact CB-CB 4.24Å; W216-I220 HydrophobicContact CD2-CB 4.19Å; W216-I220 HydrophobicContact CD2-CG2 4.28Å; W216-I220 HydrophobicContact CE3-CB 4.22Å; W216-I220 HydrophobicContact CH2-CB 4.28Å; W216-I220 HydrophobicContact CH2-CD1 3.85Å; W216-I220 HydrophobicContact CH2-CG1 3.92Å; W216-I220 HydrophobicContact CZ2-CB 4.2Å; W216-I220 HydrophobicContact CZ2-CD1 4.34Å; W216-I220 HydrophobicContact CZ2-CG1 3.9Å; W216-I220 HydrophobicContact CZ2-CG2 4.4Å; W216-I220 HydrophobicContact CZ3-CB 4.28Å; W216-I220 HydrophobicContact CZ3-CD1 4.16Å; W216-I220 HydrophobicContact CZ3-CG1 4.34Å; W216-I220 WeakPolarHBondContact O-CB 3.36Å; W216-I220 WeakPolarHBondContact O-CG2 3.35Å; W216-I220 PolarHBondContact O-N 2.93Å; H217-I220 WeakPolarHBondContact O-CG2 3.49Å; I220-A223 PolarHBondContact O-N 3.22Å; I220-S224 VanDerWaalsContact O-CB 3.23Å; I220-S224 WeakPolarHBondContact O-CB 3.41Å; I220-S224 PolarHBondContact O-N 3.2Å; I220-S224 PolarHBondContact O-OG 3.15Å
221	C	98.3	Very high	97.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-60.3	-47.4	172.5	-174.7	0	0	0	0	110.5	L43 F44 H217 I218 S224 Y225	L43-C221 HydrophobicContact CB-CB 4.32Å; F44-C221 HydrophobicContact CD1-CB 4.39Å; F44-C221 HydrophobicContact CD2-CB 4.2Å; F44-C221 HydrophobicContact CE1-CB 3.98Å; F44-C221 HydrophobicContact CE2-CB 3.77Å; F44-C221 HydrophobicContact CG-CB 4.49Å; F44-C221 HydrophobicContact CZ-CB 3.66Å; H217-C221 VanDerWaalsContact O-CB 3.24Å; H217-C221 WeakPolarHBondContact O-CB 3.37Å; H217-C221 PolarHBondContact O-N 3.3Å; I218-C221 PolarHBondContact O-N 2.99Å; C221-S224 PolarHBondContact O-OG 2.97Å; C221-Y225 VanDerWaalsContact O-CB 3.24Å; C221-Y225 WeakPolarHBondContact O-CB 3.49Å; C221-Y225 PolarHBondContact O-N 3.27Å
222	L	97.8	Very high	97.8	Very high	48 Å²	48	17.7 Å²	17.7	25%	0.251	10%	0.102	S	C	.	.	H	α-helix	trans	-64.3	-44.2	177.7	-68	173	0	0	0	112.1	L47 I218 L219 L226	L47-L222 HydrophobicContact CD1-CD2 4.18Å; I218-L222 HydrophobicContact CG2-CD1 4.21Å; I218-L222 WeakPolarHBondContact O-CG 3.19Å; I218-L222 PolarHBondContact O-N 3.42Å; I218-L222 VanDerWaalsContact O-N 3.08Å; L219-L222 PolarHBondContact O-N 3.15Å; L222-L226 WeakPolarHBondContact O-CB 3.23Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.47Å; L222-L226 PolarHBondContact O-N 2.79Å
223	A	97.8	Very high	97.8	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.033	10%	0.102	C	C	.	.	H	α-helix	trans	-62.1	-48.8	179.2	0	0	0	0	0	111.9	S183 W186 W187 L219 I220 L226 G227	S183-A223 PolarHBondContact OG-O 3.48Å; W186-A223 HydrophobicContact CB-CB 3.77Å; W187-A223 HydrophobicContact CB-CB 4.05Å; L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.35Å; L219-A223 PolarHBondContact O-N 2.65Å; I220-A223 PolarHBondContact O-N 3.22Å; A223-L226 PolarHBondContact O-N 3.08Å; A223-G227 PolarHBondContact O-N 3.33Å
224	S	97	Very high	97.8	Very high	33 Å²	33	18.5 Å²	18.5	23%	0.231	10%	0.104	C	C	.	.	H	α-helix	trans	-65.8	-43	-178.1	59.1	0	0	0	0	112	I220 C221 G227 C228	I220-S224 VanDerWaalsContact O-CB 3.23Å; I220-S224 WeakPolarHBondContact O-CB 3.41Å; I220-S224 PolarHBondContact O-N 3.2Å; I220-S224 PolarHBondContact O-OG 3.15Å; C221-S224 PolarHBondContact O-OG 2.97Å; S224-G227 PolarHBondContact O-N 3.43Å; S224-C228 WeakPolarHBondContact O-CB 3.35Å; S224-C228 PolarHBondContact O-N 3.15Å; S224-C228 PolarHBondContact O-SG 2.83Å
225	Y	96.6	Very high	97.7	Very high	11 Å²	11	17.8 Å²	17.8	4%	0.043	10%	0.098	C	C	.	.	H	α-helix	trans	-57.9	-53.9	173.1	147.7	-121.4	0	0	0	111.8	L47 L51 W70 C221 G227 C228 V229 V260 P261	L47-Y225 HydrophobicContact CD1-CD1 4.49Å; L51-Y225 HydrophobicContact CD1-CD2 3.31Å; L51-Y225 HydrophobicContact CD1-CE2 3.74Å; L51-Y225 HydrophobicContact CD1-CG 4.08Å; L51-Y225 HydrophobicContact CD2-CD2 3.81Å; L51-Y225 HydrophobicContact CD2-CE2 3.32Å; L51-Y225 HydrophobicContact CG-CD2 4.18Å; L51-Y225 HydrophobicContact CG-CE2 4.12Å; W70-Y225 HydrophobicContact CH2-CD2 4.45Å; C221-Y225 VanDerWaalsContact O-CB 3.24Å; C221-Y225 WeakPolarHBondContact O-CB 3.49Å; C221-Y225 PolarHBondContact O-N 3.27Å; Y225-G227 VanDerWaalsContact C-N 3.27Å; Y225-G227 PolarHBondContact O-N 3.47Å; Y225-C228 WeakPolarHBondContact O-CB 3.17Å; Y225-C228 PolarHBondContact O-N 3.21Å; Y225-C228 VanDerWaalsContact O-N 3.1Å; Y225-V229 HydrophobicContact CD2-CG2 3.85Å; Y225-V229 HydrophobicContact CE2-CG2 3.39Å; Y225-V229 WeakPolarHBondContact O-CG2 3.47Å; Y225-V229 PolarHBondContact O-N 3.44Å; Y225-V260 HydrophobicContact CE2-CG1 4.31Å; Y225-V260 VanDerWaalsContact OH-C 3.27Å; Y225-V260 VanDerWaalsContact OH-CA 3.27Å; Y225-V260 WeakPolarHBondContact OH-CA 3.28Å; Y225-V260 WeakPolarHBondContact OH-CG1 3.43Å; Y225-P261 WeakPolarHBondContact OH-CD 3.01Å; Y225-P261 WeakPolarHBondContact OH-CG 3.32Å; Y225-P261 PolarHBondContact OH-O 3.29Å; Y225-P261 VanDerWaalsContact OH-O 3.06Å
226	L	97.4	Very high	97.7	Very high	13 Å²	13	16.3 Å²	16.3	7%	0.068	9%	0.086	C	C	.	.	H	α-helix	trans	-63.6	-37.1	-179.5	-68.7	179.1	0	0	0	111.5	L179 I182 L222 A223 C228 V229 C230 P261	L179-L226 HydrophobicContact CD2-CD2 4.28Å; I182-L226 HydrophobicContact CB-CD1 4.41Å; I182-L226 HydrophobicContact CG2-CD1 3.73Å; L222-L226 WeakPolarHBondContact O-CB 3.23Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.47Å; L222-L226 PolarHBondContact O-N 2.79Å; A223-L226 PolarHBondContact O-N 3.08Å; L226-C228 VanDerWaalsContact C-N 3.35Å; L226-V229 PolarHBondContact O-N 3.49Å; L226-C230 PolarHBondContact O-N 3.46Å; L226-C230 PolarHBondContact O-SG 3.41Å; L226-C230 VanDerWaalsContact O-SG 3.36Å; L226-P261 HydrophobicContact CD2-CG 3.6Å
227	G	97.5	Very high	97.5	Very high	10 Å²	10	17.4 Å²	17.4	10%	0.103	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-46	172.3	0	0	0	0	0	111.7	S183 A223 S224 Y225 V229 C230 F231	S183-G227 PolarHBondContact OG-N 3.49Å; A223-G227 PolarHBondContact O-N 3.33Å; S224-G227 PolarHBondContact O-N 3.43Å; Y225-G227 VanDerWaalsContact C-N 3.27Å; Y225-G227 PolarHBondContact O-N 3.47Å; G227-V229 VanDerWaalsContact C-N 3.34Å; G227-V229 PolarHBondContact O-N 3.4Å; G227-C230 WeakPolarHBondContact O-CB 3.16Å; G227-C230 PolarHBondContact O-N 3.46Å; G227-F231 VanDerWaalsContact O-CD2 3.26Å; G227-F231 WeakPolarHBondContact O-CD2 3.42Å; G227-F231 PolarHBondContact O-N 2.97Å
228	C	97.9	Very high	97.3	Very high	9 Å²	9	20.2 Å²	20.2	6%	0.061	12%	0.116	C	C	.	.	H	α-helix	trans	-59.6	-42.1	175.9	-71.8	0	0	0	0	112.3	W70 W110 S224 Y225 L226 F231 A232	W70-C228 HydrophobicContact CH2-CB 3.4Å; W70-C228 HydrophobicContact CZ2-CB 4.45Å; W70-C228 HydrophobicContact CZ3-CB 3.65Å; W110-C228 HydrophobicContact CH2-CB 3.54Å; W110-C228 HydrophobicContact CZ3-CB 3.96Å; S224-C228 WeakPolarHBondContact O-CB 3.35Å; S224-C228 PolarHBondContact O-N 3.15Å; S224-C228 PolarHBondContact O-SG 2.83Å; Y225-C228 WeakPolarHBondContact O-CB 3.17Å; Y225-C228 PolarHBondContact O-N 3.21Å; Y225-C228 VanDerWaalsContact O-N 3.1Å; L226-C228 VanDerWaalsContact C-N 3.35Å; C228-F231 PolarHBondContact O-N 3.32Å; C228-A232 VanDerWaalsContact O-CB 3.25Å; C228-A232 WeakPolarHBondContact O-CB 3.27Å; C228-A232 PolarHBondContact O-N 3.14Å
229	V	97.9	Very high	97.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.5	-47.1	175.2	176.2	0	0	0	0	111.1	F55 Y225 L226 G227 A232 Y233 I247 P261 V263	F55-V229 HydrophobicContact CE2-CG2 4.25Å; F55-V229 HydrophobicContact CZ-CG2 4Å; Y225-V229 HydrophobicContact CD2-CG2 3.85Å; Y225-V229 HydrophobicContact CE2-CG2 3.39Å; Y225-V229 WeakPolarHBondContact O-CG2 3.47Å; Y225-V229 PolarHBondContact O-N 3.44Å; L226-V229 PolarHBondContact O-N 3.49Å; G227-V229 VanDerWaalsContact C-N 3.34Å; G227-V229 PolarHBondContact O-N 3.4Å; V229-A232 PolarHBondContact O-N 2.92Å; V229-Y233 PolarHBondContact O-N 3.28Å; V229-I247 HydrophobicContact CG1-CD1 3.71Å; V229-P261 HydrophobicContact CG1-CB 4.34Å; V229-P261 WeakPolarHBondContact CG2-O 3.34Å; V229-V263 HydrophobicContact CG1-CG2 4.3Å
230	C	98.1	Very high	96.9	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	11%	0.107	C	C	.	.	H	α-helix	trans	-59.9	-48.1	177.2	-71.4	0	0	0	0	111.7	L164 G180 L226 G227 A232 Y233 F234	L164-C230 HydrophobicContact CD1-CB 4.37Å; G180-C230 PolarHBondContact N-SG 2.88Å; L226-C230 PolarHBondContact O-N 3.46Å; L226-C230 PolarHBondContact O-SG 3.41Å; L226-C230 VanDerWaalsContact O-SG 3.36Å; G227-C230 WeakPolarHBondContact O-CB 3.16Å; G227-C230 PolarHBondContact O-N 3.46Å; C230-A232 PolarHBondContact O-N 3.41Å; C230-Y233 WeakPolarHBondContact O-CB 3.06Å; C230-Y233 PolarHBondContact O-N 3.38Å; C230-F234 HydrophobicContact CB-CE2 3.9Å; C230-F234 HydrophobicContact CB-CZ 4.16Å; C230-F234 WeakPolarHBondContact O-CD2 3.28Å; C230-F234 WeakPolarHBondContact O-CG 3.31Å; C230-F234 PolarHBondContact O-N 2.95Å
231	F	98	Very high	96.6	Very high	26 Å²	26	21.3 Å²	21.3	11%	0.114	13%	0.126	C	C	.	.	H	α-helix	trans	-68	-35.2	179.3	-82.5	-67.7	0	0	0	113.2	W110 L163 L164 E167 G227 C228 Y233 F234 H235	W110-F231 HydrophobicContact CB-CB 4.02Å; W110-F231 HydrophobicContact CB-CD1 4.22Å; W110-F231 HydrophobicContact CB-CG 4.4Å; W110-F231 HydrophobicContact CD2-CB 3.58Å; W110-F231 HydrophobicContact CE3-CB 3.47Å; W110-F231 VanDerWaalsContact CE3-CB 3.47Å; W110-F231 HydrophobicContact CE3-CG 4.19Å; W110-F231 HydrophobicContact CG-CB 3.88Å; W110-F231 HydrophobicContact CZ3-CB 4.07Å; L163-F231 HydrophobicContact CB-CZ 4.39Å; L163-F231 HydrophobicContact CD2-CE1 3.71Å; L163-F231 HydrophobicContact CD2-CZ 3.95Å; L163-F231 HydrophobicContact CG-CE1 3.78Å; L163-F231 HydrophobicContact CG-CZ 3.94Å; L164-F231 HydrophobicContact CB-CE2 4.21Å; L164-F231 HydrophobicContact CB-CZ 4.06Å; L164-F231 HydrophobicContact CD1-CE2 4.18Å; L164-F231 HydrophobicContact CD1-CZ 4.42Å; E167-F231 HydrophobicContact CG-CE1 4.17Å; G227-F231 VanDerWaalsContact O-CD2 3.26Å; G227-F231 WeakPolarHBondContact O-CD2 3.42Å; G227-F231 PolarHBondContact O-N 2.97Å; C228-F231 PolarHBondContact O-N 3.32Å; F231-Y233 VanDerWaalsContact C-N 3.32Å; F231-Y233 PolarHBondContact O-N 3.39Å; F231-F234 HydrophobicContact CD1-CD2 4.01Å; F231-F234 HydrophobicContact CE1-CD2 4.37Å; F231-F234 HydrophobicContact CG-CD2 4.47Å; F231-F234 PolarHBondContact O-N 2.97Å; F231-H235 VanDerWaalsContact O-CB 3.28Å; F231-H235 WeakPolarHBondContact O-CB 3.11Å; F231-H235 PolarHBondContact O-N 2.9Å
232	A	97.9	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-43	171.2	0	0	0	0	0	111.4	F55 Y58 W110 C228 V229 C230 H235 V236 V263	F55-A232 HydrophobicContact CE1-CB 3.81Å; Y58-A232 HydrophobicContact CD2-CB 4.49Å; Y58-A232 HydrophobicContact CE2-CB 3.77Å; Y58-A232 WeakPolarHBondContact CE2-O 3.3Å; W110-A232 HydrophobicContact CZ2-CB 4.06Å; C228-A232 VanDerWaalsContact O-CB 3.25Å; C228-A232 WeakPolarHBondContact O-CB 3.27Å; C228-A232 PolarHBondContact O-N 3.14Å; V229-A232 PolarHBondContact O-N 2.92Å; C230-A232 PolarHBondContact O-N 3.41Å; A232-H235 PolarHBondContact O-N 3.41Å; A232-V236 PolarHBondContact O-N 3.17Å; A232-V263 HydrophobicContact CB-CG2 3.91Å
233	Y	97.9	Very high	96.1	Very high	28 Å²	28	26.9 Å²	26.9	11%	0.11	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-50.6	174.3	178.5	-83.3	0	0	0	111.6	N173 V176 V229 C230 F231 H235 V236 A237 P245 I247	N173-Y233 HydrophobicContact CB-CE1 4.4Å; N173-Y233 WeakPolarHBondContact CB-OH 3.45Å; N173-Y233 PolarHBondContact ND2-OH 3.3Å; N173-Y233 VanDerWaalsContact ND2-OH 3.14Å; V176-Y233 HydrophobicContact CB-CD1 4.34Å; V176-Y233 HydrophobicContact CB-CE1 4.45Å; V176-Y233 HydrophobicContact CG1-CD1 3.94Å; V176-Y233 HydrophobicContact CG1-CE1 4.44Å; V176-Y233 HydrophobicContact CG1-CG 4.33Å; V176-Y233 HydrophobicContact CG2-CD1 3.67Å; V176-Y233 HydrophobicContact CG2-CD2 3.68Å; V176-Y233 HydrophobicContact CG2-CE1 3.75Å; V176-Y233 HydrophobicContact CG2-CE2 3.73Å; V176-Y233 HydrophobicContact CG2-CG 3.65Å; V229-Y233 PolarHBondContact O-N 3.28Å; C230-Y233 WeakPolarHBondContact O-CB 3.06Å; C230-Y233 PolarHBondContact O-N 3.38Å; F231-Y233 VanDerWaalsContact C-N 3.32Å; F231-Y233 PolarHBondContact O-N 3.39Å; Y233-H235 PolarHBondContact O-N 2.96Å; Y233-V236 PolarHBondContact O-N 3.14Å; Y233-A237 HydrophobicContact CD1-CB 4.33Å; Y233-A237 HydrophobicContact CE1-CB 4.02Å; Y233-A237 WeakPolarHBondContact O-CB 3.22Å; Y233-A237 PolarHBondContact O-N 2.94Å; Y233-P245 HydrophobicContact CD2-CB 3.94Å; Y233-P245 HydrophobicContact CD2-CG 4.35Å; Y233-P245 HydrophobicContact CE2-CB 4.02Å; Y233-P245 HydrophobicContact CE2-CG 4.1Å; Y233-P245 VanDerWaalsContact CE2-O 3.29Å; Y233-P245 WeakPolarHBondContact CE2-O 3.28Å; Y233-I247 HydrophobicContact CD2-CD1 3.92Å; Y233-I247 HydrophobicContact CD2-CG1 4.06Å; Y233-I247 HydrophobicContact CG-CD1 4.34Å
234	F	97.4	Very high	95.9	Very high	12 Å²	12	27.6 Å²	27.6	5%	0.053	16%	0.159	C	C	.	.	H	α-helix	trans	-59.1	-35.6	179.4	-58.7	-36.1	0	0	0	112.2	L164 E167 L168 C171 V176 C230 F231 T238	L164-F234 HydrophobicContact CD1-CE2 4.21Å; E167-F234 HydrophobicContact CB-CD1 4.39Å; E167-F234 HydrophobicContact CB-CD2 3.45Å; E167-F234 VanDerWaalsContact CB-CD2 3.45Å; E167-F234 HydrophobicContact CB-CE1 4.37Å; E167-F234 HydrophobicContact CB-CE2 3.42Å; E167-F234 VanDerWaalsContact CB-CE2 3.42Å; E167-F234 HydrophobicContact CB-CG 3.99Å; E167-F234 HydrophobicContact CB-CZ 3.91Å; E167-F234 HydrophobicContact CG-CD2 3.88Å; E167-F234 HydrophobicContact CG-CE2 4.27Å; E167-F234 HydrophobicContact CG-CG 4.4Å; L168-F234 HydrophobicContact CD2-CZ 3.8Å; L168-F234 HydrophobicContact CG-CZ 4.16Å; C171-F234 HydrophobicContact CB-CE1 3.81Å; V176-F234 HydrophobicContact CG1-CD1 4.4Å; V176-F234 HydrophobicContact CG1-CE1 3.51Å; V176-F234 HydrophobicContact CG1-CZ 3.82Å; C230-F234 HydrophobicContact CB-CE2 3.9Å; C230-F234 HydrophobicContact CB-CZ 4.16Å; C230-F234 WeakPolarHBondContact O-CD2 3.28Å; C230-F234 WeakPolarHBondContact O-CG 3.31Å; C230-F234 PolarHBondContact O-N 2.95Å; F231-F234 HydrophobicContact CD1-CD2 4.01Å; F231-F234 HydrophobicContact CE1-CD2 4.37Å; F231-F234 HydrophobicContact CG-CD2 4.47Å; F231-F234 PolarHBondContact O-N 2.97Å; F234-T238 VanDerWaalsContact O-CB 3.25Å; F234-T238 WeakPolarHBondContact O-CB 3.23Å; F234-T238 PolarHBondContact O-N 3.44Å; F234-T238 PolarHBondContact O-OG1 3.21Å
235	H	95.8	Very high	95.8	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.046	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-49.2	178.8	-171	-159.6	0	0	0	111.5	Y58 F62 N63 W110 F231 A232 Y233 E239	Y58-H235 PolarHBondContact OH-ND1 2.97Å; F62-H235 HydrophobicContact CE1-CB 4.09Å; F62-H235 AromaticContact CE1-CD2 3.99Å; F62-H235 AromaticContact CE1-CE1 3.6Å; F62-H235 AromaticContact CE1-CG 3.53Å; F62-H235 AromaticContact CE1-ND1 3.28Å; F62-H235 VanDerWaalsContact CE1-ND1 3.28Å; F62-H235 WeakPolarHBondContact CE1-ND1 3.29Å; F62-H235 AromaticContact CZ-CD2 3.84Å; F62-H235 AromaticContact CZ-CE1 3.84Å; F62-H235 AromaticContact CZ-CG 3.86Å; F62-H235 AromaticContact CZ-ND1 3.87Å; F62-H235 AromaticContact CZ-NE2 3.86Å; N63-H235 PolarHBondContact ND2-CE1 3.38Å; W110-H235 AromaticContact CD1-CG 3.75Å; W110-H235 AromaticContact CD1-ND1 3.49Å; W110-H235 AromaticContact NE1-ND1 3.89Å; F231-H235 VanDerWaalsContact O-CB 3.28Å; F231-H235 WeakPolarHBondContact O-CB 3.11Å; F231-H235 PolarHBondContact O-N 2.9Å; A232-H235 PolarHBondContact O-N 3.41Å; Y233-H235 PolarHBondContact O-N 2.96Å; H235-E239 IonicContact CD2-OE1 3.5Å; H235-E239 IonicContact NE2-OE1 3.85Å; H235-E239 IonicContact NE2-OE2 3.63Å; H235-E239 WeakPolarHBondContact O-CB 3.48Å; H235-E239 PolarHBondContact O-N 2.97Å
236	V	96.3	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.3	-47.2	176.7	-177.7	0	0	0	0	110.2	Y58 F62 A232 Y233 T238 E239 A240 Q243 P245 L265	Y58-V236 HydrophobicContact CD2-CG2 3.97Å; Y58-V236 HydrophobicContact CE2-CG2 3.47Å; Y58-V236 VanDerWaalsContact CE2-CG2 3.47Å; F62-V236 HydrophobicContact CD1-CG2 3.38Å; F62-V236 HydrophobicContact CD2-CG2 4.47Å; F62-V236 HydrophobicContact CE1-CB 4.22Å; F62-V236 HydrophobicContact CE1-CG2 3.41Å; F62-V236 VanDerWaalsContact CE1-CG2 3.41Å; F62-V236 HydrophobicContact CG-CG2 3.93Å; F62-V236 HydrophobicContact CZ-CB 4.43Å; F62-V236 HydrophobicContact CZ-CG2 4.05Å; A232-V236 PolarHBondContact O-N 3.17Å; Y233-V236 PolarHBondContact O-N 3.14Å; V236-T238 PolarHBondContact O-N 3.09Å; V236-T238 VanDerWaalsContact O-N 3.14Å; V236-E239 PolarHBondContact O-N 2.86Å; V236-A240 HydrophobicContact CG1-CB 4.48Å; V236-A240 CarbonylContact O-C 3.6Å; V236-A240 WeakPolarHBondContact O-CA 3.46Å; V236-A240 PolarHBondContact O-N 3.45Å; V236-Q243 HydrophobicContact CG1-CB 4.05Å; V236-P245 HydrophobicContact CB-CB 3.82Å; V236-P245 HydrophobicContact CB-CG 3.93Å; V236-P245 HydrophobicContact CG1-CB 3.72Å; V236-P245 HydrophobicContact CG1-CG 3.73Å; V236-L265 HydrophobicContact CG1-CD2 3.83Å; V236-L265 HydrophobicContact CG2-CD2 4.17Å
237	A	95.7	Very high	95.6	Very high	37 Å²	37	27.2 Å²	27.2	31%	0.306	16%	0.157	S	C	.	.	H	α-helix	trans	-60	-30.3	-177.1	0	0	0	0	0	112.8	Y233 P245	Y233-A237 HydrophobicContact CD1-CB 4.33Å; Y233-A237 HydrophobicContact CE1-CB 4.02Å; Y233-A237 WeakPolarHBondContact O-CB 3.22Å; Y233-A237 PolarHBondContact O-N 2.94Å; A237-P245 HydrophobicContact CB-CG 4.01Å
238	T	93.8	Very high	95.5	Very high	64 Å²	64	29.5 Å²	29.5	39%	0.393	17%	0.165	S	C	.	.	H	α-helix	trans	-88.5	-41.1	178.5	-57.7	0	0	0	0	112.9	R114 F234 V236	R114-T238 PolarHBondContact NH1-OG1 3.17Å; F234-T238 VanDerWaalsContact O-CB 3.25Å; F234-T238 WeakPolarHBondContact O-CB 3.23Å; F234-T238 PolarHBondContact O-N 3.44Å; F234-T238 PolarHBondContact O-OG1 3.21Å; V236-T238 PolarHBondContact O-N 3.09Å; V236-T238 VanDerWaalsContact O-N 3.14Å
239	E	93.1	Very high	95.3	Very high	53 Å²	53	29.5 Å²	29.5	25%	0.248	16%	0.164	C	C	.	.	H	α-helix	trans	-101.2	-21.3	-169.9	-61.2	-155.9	178.8	0	0	115	F62 K113 R124 H235 V236	F62-E239 HydrophobicContact CZ-CB 4.24Å; K113-E239 WeakPolarHBondContact CD-OE1 3.45Å; K113-E239 VanDerWaalsContact CE-OE1 3.24Å; K113-E239 WeakPolarHBondContact CE-OE1 3.1Å; K113-E239 WeakPolarHBondContact CE-OE2 3.5Å; K113-E239 WeakPolarHBondContact CG-OE1 3.49Å; K113-E239 IonicContact NZ-OE1 3.3Å; K113-E239 IonicContact NZ-OE2 3.93Å; K113-E239 PolarHBondContact NZ-OE2 3.41Å; R124-E239 IonicContact CZ-OE1 3.73Å; R124-E239 IonicContact NE-OE1 3.67Å; R124-E239 PolarHBondContact NE-OE1 2.76Å; R124-E239 IonicContact NE-OE2 2.64Å; R124-E239 IonicContact NH2-OE1 3.36Å; R124-E239 PolarHBondContact NH2-OE1 3.39Å; H235-E239 IonicContact CD2-OE1 3.5Å; H235-E239 IonicContact NE2-OE1 3.85Å; H235-E239 IonicContact NE2-OE2 3.63Å; H235-E239 WeakPolarHBondContact O-CB 3.48Å; H235-E239 PolarHBondContact O-N 2.97Å; V236-E239 PolarHBondContact O-N 2.86Å
240	A	94.1	Very high	95.2	Very high	6 Å²	6	34.6 Å²	34.6	5%	0.05	18%	0.184	C	C	.	.			trans	-147.2	57.7	179.9	0	0	0	0	0	110.8	F62 V236 E242 Q243	F62-A240 HydrophobicContact CD2-CB 4.02Å; F62-A240 HydrophobicContact CE2-CB 3.59Å; V236-A240 HydrophobicContact CG1-CB 4.48Å; V236-A240 CarbonylContact O-C 3.6Å; V236-A240 WeakPolarHBondContact O-CA 3.46Å; V236-A240 PolarHBondContact O-N 3.45Å; A240-E242 WeakPolarHBondContact CA-OE1 3.38Å; A240-E242 VanDerWaalsContact CA-OE2 3.26Å; A240-E242 WeakPolarHBondContact CA-OE2 3.38Å; A240-E242 WeakPolarHBondContact CB-OE1 3.48Å; A240-E242 PolarHBondContact O-N 2.95Å; A240-E242 VanDerWaalsContact O-N 3.11Å; A240-Q243 HydrophobicContact CB-CG 4.08Å; A240-Q243 PolarHBondContact O-N 3.29Å
241	P	92.9	Very high	94.8	Very high	81 Å²	81	38.5 Å²	38.5	53%	0.526	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-56.9	-27.4	-178.2	24.5	-34.5	0	0	0	112.7	Q243 G244	P241-Q243 PolarHBondContact O-N 3.17Å; P241-G244 PolarHBondContact O-N 3.05Å
242	E	92.8	Very high	94.3	Very high	127 Å²	127	40.9 Å²	40.9	59%	0.593	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-62.4	-20.4	176.2	73.4	-72.5	169.6	0	0	113.9	A240 G244 C267	A240-E242 WeakPolarHBondContact CA-OE1 3.38Å; A240-E242 VanDerWaalsContact CA-OE2 3.26Å; A240-E242 WeakPolarHBondContact CA-OE2 3.38Å; A240-E242 WeakPolarHBondContact CB-OE1 3.48Å; A240-E242 PolarHBondContact O-N 2.95Å; A240-E242 VanDerWaalsContact O-N 3.11Å; E242-G244 PolarHBondContact O-N 2.99Å; E242-C267 PolarHBondContact O-SG 3.34Å
243	Q	91.9	Very high	93.7	Very high	39 Å²	39	43.9 Å²	43.9	18%	0.182	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-74.9	-16.8	174.3	-64.6	-161.1	-9.2	0	0	112.9	H61 V236 A240 P241 L265 L266 C267	H61-Q243 PolarHBondContact O-NE2 2.96Å; V236-Q243 HydrophobicContact CG1-CB 4.05Å; A240-Q243 HydrophobicContact CB-CG 4.08Å; A240-Q243 PolarHBondContact O-N 3.29Å; P241-Q243 PolarHBondContact O-N 3.17Å; Q243-L265 HydrophobicContact CB-CD2 4.11Å; Q243-L265 VanDerWaalsContact OE1-CD1 3.22Å; Q243-L266 PolarHBondContact O-N 2.93Å; Q243-C267 PolarHBondContact O-N 2.88Å
244	G	93.1	Very high	92.9	Very high	20 Å²	20	51.6 Å²	51.6	21%	0.206	27%	0.271	C	S	.	.			trans	61.2	69.1	177.4	0	0	0	0	0	112.3	P241 E242 L266	P241-G244 PolarHBondContact O-N 3.05Å; E242-G244 PolarHBondContact O-N 2.99Å; G244-L266 WeakPolarHBondContact O-CG 3.5Å; G244-L266 PolarHBondContact O-N 3.4Å
245	P	96.1	Very high	92	Very high	13 Å²	13	57.2 Å²	57.2	8%	0.084	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	136.5	-179.8	27.9	-32.7	0	0	0	110.7	Y233 V236 A237 V263 L265	Y233-P245 HydrophobicContact CD2-CB 3.94Å; Y233-P245 HydrophobicContact CD2-CG 4.35Å; Y233-P245 HydrophobicContact CE2-CB 4.02Å; Y233-P245 HydrophobicContact CE2-CG 4.1Å; Y233-P245 VanDerWaalsContact CE2-O 3.29Å; Y233-P245 WeakPolarHBondContact CE2-O 3.28Å; V236-P245 HydrophobicContact CB-CB 3.82Å; V236-P245 HydrophobicContact CB-CG 3.93Å; V236-P245 HydrophobicContact CG1-CB 3.72Å; V236-P245 HydrophobicContact CG1-CG 3.73Å; A237-P245 HydrophobicContact CB-CG 4.01Å; P245-V263 HydrophobicContact CB-CG1 4.22Å; P245-L265 HydrophobicContact CB-CD2 4.45Å
246	V	95.1	Very high	90.6	Very high	32 Å²	32	58.2 Å²	58.2	19%	0.194	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.3	174.1	-68.6	0	0	0	0	109.9	M248 V263 S264 L266	V246-M248 HydrophobicContact CG2-CG 4.18Å; V246-M248 HydrophobicContact CG2-SD 4.15Å; V246-V263 WeakPolarHBondContact O-CA 3.24Å; V246-S264 WeakPolarHBondContact CG2-O 3.42Å; V246-S264 PolarHBondContact N-O 2.86Å; V246-S264 PolarHBondContact O-N 3.27Å; V246-L266 HydrophobicContact CG1-CD1 3.63Å; V246-L266 HydrophobicContact CG1-CD2 3.99Å; V246-L266 HydrophobicContact CG1-CG 3.68Å; V246-L266 HydrophobicContact CG2-CD2 3.98Å; V246-L266 HydrophobicContact CG2-CG 4.11Å
247	I	95.2	Very high	89	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.7	170.5	-62	-56.7	0	0	0	108.2	R175 V176 L179 V229 Y233 F249 P261 Y262 V263	R175-I247 HydrophobicContact CG-CB 4.17Å; R175-I247 HydrophobicContact CG-CG2 4.14Å; R175-I247 PolarHBondContact NH1-O 3.43Å; V176-I247 HydrophobicContact CG2-CD1 4.22Å; V176-I247 HydrophobicContact CG2-CG1 3.51Å; L179-I247 HydrophobicContact CD1-CG1 4.46Å; L179-I247 HydrophobicContact CD1-CG2 3.73Å; V229-I247 HydrophobicContact CG1-CD1 3.71Å; Y233-I247 HydrophobicContact CD2-CD1 3.92Å; Y233-I247 HydrophobicContact CD2-CG1 4.06Å; Y233-I247 HydrophobicContact CG-CD1 4.34Å; I247-F249 HydrophobicContact CG2-CE2 4.19Å; I247-F249 HydrophobicContact CG2-CZ 4.22Å; I247-P261 HydrophobicContact CG2-CB 3.93Å; I247-Y262 WeakPolarHBondContact CA-O 3.32Å; I247-V263 HydrophobicContact CD1-CG2 3.86Å
248	M	94.2	Very high	88.2	Confident	58 Å²	58	71.3 Å²	71.3	29%	0.286	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	161.2	174.1	-59.3	-62.6	-72.3	0	0	109.6	V246 E253 P261 Y262	V246-M248 HydrophobicContact CG2-CG 4.18Å; V246-M248 HydrophobicContact CG2-SD 4.15Å; M248-E253 WeakPolarHBondContact CA-OE1 3.26Å; M248-E253 WeakPolarHBondContact CB-OE1 3.46Å; M248-E253 HydrophobicContact CE-CG 3.97Å; M248-E253 VanDerWaalsContact CE-OE1 3.3Å; M248-E253 WeakPolarHBondContact CE-OE1 3.34Å; M248-P261 CarbonylContact O-C 3.45Å; M248-P261 WeakPolarHBondContact O-CA 3.28Å; M248-Y262 HydrophobicContact CB-CD1 4.17Å; M248-Y262 HydrophobicContact CB-CE1 3.56Å; M248-Y262 HydrophobicContact CB-CE2 4.04Å; M248-Y262 VanDerWaalsContact CB-CZ 3.48Å; M248-Y262 PolarHBondContact N-O 3.46Å; M248-Y262 WeakPolarHBondContact O-CD1 3.05Å; M248-Y262 PolarHBondContact O-N 2.91Å
249	F	94.7	Very high	87.9	Confident	9 Å²	9	68.9 Å²	68.9	4%	0.039	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.5	-179.9	-65.5	-91.7	0	0	0	111.4	R175 L179 I247 N252 E253 A256 P261	R175-F249 HydrophobicContact CG-CE2 4.16Å; R175-F249 HydrophobicContact CG-CZ 4.27Å; L179-F249 HydrophobicContact CD2-CE1 4.42Å; I247-F249 HydrophobicContact CG2-CE2 4.19Å; I247-F249 HydrophobicContact CG2-CZ 4.22Å; F249-N252 CarbonylContact O-C 3.28Å; F249-N252 PolarHBondContact O-N 3.28Å; F249-E253 PolarHBondContact N-OE1 2.87Å; F249-A256 HydrophobicContact CD2-CB 3.96Å; F249-A256 HydrophobicContact CE1-CB 4.49Å; F249-A256 WeakPolarHBondContact CE1-O 3.41Å; F249-A256 HydrophobicContact CE2-CB 3.75Å; F249-A256 HydrophobicContact CG-CB 4.41Å; F249-A256 HydrophobicContact CZ-CB 4.05Å; F249-A256 VanDerWaalsContact CZ-O 3.26Å; F249-A256 WeakPolarHBondContact CZ-O 3.45Å; F249-P261 HydrophobicContact CD1-CB 3.92Å; F249-P261 HydrophobicContact CD1-CG 4.38Å; F249-P261 HydrophobicContact CE1-CB 3.7Å; F249-P261 HydrophobicContact CE1-CG 4.07Å; F249-P261 HydrophobicContact CZ-CB 4.36Å
250	W	94.3	Very high	88	Confident	107 Å²	107	67.2 Å²	67.2	41%	0.405	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	142.6	171.8	-179.7	90.2	0	0	0	110.9	I50 L54 G259 V260 Y262	I50-W250 HydrophobicContact CG2-CE3 4.37Å; L54-W250 HydrophobicContact CD1-CB 3.68Å; L54-W250 HydrophobicContact CD1-CG 4.15Å; L54-W250 HydrophobicContact CD2-CB 3.68Å; L54-W250 HydrophobicContact CD2-CG 3.72Å; L54-W250 HydrophobicContact CG-CB 4.34Å; W250-G259 CarbonylContact O-C 3.55Å; W250-G259 WeakPolarHBondContact O-CA 3.42Å; W250-V260 HydrophobicContact CB-CB 4.44Å; W250-V260 HydrophobicContact CE3-CB 4.35Å; W250-V260 HydrophobicContact CE3-CG2 4.02Å; W250-V260 PolarHBondContact N-O 3.44Å; W250-V260 PolarHBondContact O-N 3.18Å; W250-Y262 HydrophobicContact CB-CD1 4.42Å; W250-Y262 HydrophobicContact CB-CE1 4.16Å
251	P	91.3	Very high	88.1	Confident	84 Å²	84	67.1 Å²	67.1	55%	0.545	34%	0.337	S	S	.	.	S	Bend	cis	-80.5	-13.3	1.4	31.9	-35.5	0	0	0	114.6
252	N	86.8	Confident	88.3	Confident	76 Å²	76	65.4 Å²	65.4	41%	0.406	32%	0.321	S	S	.	.			trans	-151.8	144.4	-178.3	-175.2	-58.4	0	0	0	111.5	F249 K254 W255	F249-N252 CarbonylContact O-C 3.28Å; F249-N252 PolarHBondContact O-N 3.28Å; N252-K254 PolarHBondContact O-N 2.94Å; N252-K254 VanDerWaalsContact O-N 3.08Å; N252-K254 WeakPolarHBondContact OD1-CB 3.31Å; N252-K254 WeakPolarHBondContact OD1-CG 3.34Å; N252-K254 PolarHBondContact OD1-N 2.87Å; N252-W255 WeakPolarHBondContact O-CB 3.46Å; N252-W255 PolarHBondContact O-N 3.44Å
253	E	84.2	Confident	88.5	Confident	62 Å²	62	59.4 Å²	59.4	29%	0.29	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-53.6	-27.6	177.5	-74.8	-59.8	119.2	0	0	114.6	R175 M248 F249 W255 A256	R175-E253 IonicContact CZ-OE2 3.63Å; R175-E253 IonicContact NH1-OE2 2.6Å; R175-E253 PolarHBondContact NH1-OE2 3.37Å; R175-E253 IonicContact NH2-OE2 2.8Å; M248-E253 WeakPolarHBondContact CA-OE1 3.26Å; M248-E253 WeakPolarHBondContact CB-OE1 3.46Å; M248-E253 HydrophobicContact CE-CG 3.97Å; M248-E253 VanDerWaalsContact CE-OE1 3.3Å; M248-E253 WeakPolarHBondContact CE-OE1 3.34Å; F249-E253 PolarHBondContact N-OE1 2.87Å; E253-W255 PolarHBondContact O-N 3.31Å; E253-A256 PolarHBondContact O-N 2.96Å
254	K	82.4	Confident	88.6	Confident	190 Å²	190	57.9 Å²	57.9	83%	0.826	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63.7	-18.2	175.9	-66.9	-179.6	-177.6	-177.6	0	112.8	N252 A256	N252-K254 PolarHBondContact O-N 2.94Å; N252-K254 VanDerWaalsContact O-N 3.08Å; N252-K254 WeakPolarHBondContact OD1-CB 3.31Å; N252-K254 WeakPolarHBondContact OD1-CG 3.34Å; N252-K254 PolarHBondContact OD1-N 2.87Å; K254-A256 VanDerWaalsContact C-N 3.3Å; K254-A256 PolarHBondContact O-N 2.05Å
255	W	78.4	Confident	88.7	Confident	131 Å²	131	56.9 Å²	56.9	50%	0.496	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-93.5	31.4	179.5	-63.8	70.8	0	0	0	112.1	N252 E253 F257 I258 G259	N252-W255 WeakPolarHBondContact O-CB 3.46Å; N252-W255 PolarHBondContact O-N 3.44Å; E253-W255 PolarHBondContact O-N 3.31Å; W255-F257 PolarHBondContact O-N 2.85Å; W255-I258 HydrophobicContact CE3-CB 3.89Å; W255-I258 HydrophobicContact CE3-CD1 4.28Å; W255-I258 HydrophobicContact CE3-CG2 3.8Å; W255-I258 HydrophobicContact CZ3-CB 4.48Å; W255-I258 HydrophobicContact CZ3-CD1 4.29Å; W255-I258 HydrophobicContact CZ3-CG2 4.06Å; W255-I258 PolarHBondContact O-N 3.48Å; W255-G259 WeakPolarHBondContact O-CA 3.44Å; W255-G259 PolarHBondContact O-N 2.99Å
256	A	65.2	Low	88.4	Confident	30 Å²	30	60.7 Å²	60.7	25%	0.248	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-6.2	-174.8	0	0	0	0	0	116.6	F249 E253 K254	F249-A256 HydrophobicContact CD2-CB 3.96Å; F249-A256 HydrophobicContact CE1-CB 4.49Å; F249-A256 WeakPolarHBondContact CE1-O 3.41Å; F249-A256 HydrophobicContact CE2-CB 3.75Å; F249-A256 HydrophobicContact CG-CB 4.41Å; F249-A256 HydrophobicContact CZ-CB 4.05Å; F249-A256 VanDerWaalsContact CZ-O 3.26Å; F249-A256 WeakPolarHBondContact CZ-O 3.45Å; E253-A256 PolarHBondContact O-N 2.96Å; K254-A256 VanDerWaalsContact C-N 3.3Å; K254-A256 PolarHBondContact O-N 2.05Å
257	F	64.1	Low	87.5	Confident	180 Å²	180	61.9 Å²	61.9	79%	0.789	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-14.7	176.8	-63.4	-76.8	0	0	0	115.1	W255	W255-F257 PolarHBondContact O-N 2.85Å
258	I	78.9	Confident	86.3	Confident	133 Å²	133	63.5 Å²	63.5	68%	0.682	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	-31.5	-175.1	-63	168.2	0	0	0	111	W255	W255-I258 HydrophobicContact CE3-CB 3.89Å; W255-I258 HydrophobicContact CE3-CD1 4.28Å; W255-I258 HydrophobicContact CE3-CG2 3.8Å; W255-I258 HydrophobicContact CZ3-CB 4.48Å; W255-I258 HydrophobicContact CZ3-CD1 4.29Å; W255-I258 HydrophobicContact CZ3-CG2 4.06Å; W255-I258 PolarHBondContact O-N 3.48Å
259	G	87.3	Confident	84.8	Confident	12 Å²	12	65.7 Å²	65.7	12%	0.124	32%	0.324	C	S	.	.	S	Bend	trans	-66.2	168.3	178.6	0	0	0	0	0	112.5	W250 W255 P261	W250-G259 CarbonylContact O-C 3.55Å; W250-G259 WeakPolarHBondContact O-CA 3.42Å; W255-G259 WeakPolarHBondContact O-CA 3.44Å; W255-G259 PolarHBondContact O-N 2.99Å; G259-P261 WeakPolarHBondContact O-CD 3.06Å
260	V	95.1	Very high	83.1	Confident	18 Å²	18	72.4 Å²	72.4	11%	0.109	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	101.9	-178	-178	0	0	0	0	108.5	I50 L51 L54 Y225 W250	I50-V260 HydrophobicContact CG2-CG1 4.36Å; L51-V260 HydrophobicContact CD2-CG1 3.74Å; L51-V260 HydrophobicContact CG-CG1 4.46Å; L54-V260 HydrophobicContact CD1-CB 4.14Å; L54-V260 HydrophobicContact CD1-CG1 3.71Å; Y225-V260 HydrophobicContact CE2-CG1 4.31Å; Y225-V260 VanDerWaalsContact OH-C 3.27Å; Y225-V260 VanDerWaalsContact OH-CA 3.27Å; Y225-V260 WeakPolarHBondContact OH-CA 3.28Å; Y225-V260 WeakPolarHBondContact OH-CG1 3.43Å; W250-V260 HydrophobicContact CB-CB 4.44Å; W250-V260 HydrophobicContact CE3-CB 4.35Å; W250-V260 HydrophobicContact CE3-CG2 4.02Å; W250-V260 PolarHBondContact N-O 3.44Å; W250-V260 PolarHBondContact O-N 3.18Å
261	P	96.4	Very high	81.2	Confident	5 Å²	5	75.5 Å²	75.5	3%	0.032	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	140.9	171.5	23.1	-36.3	0	0	0	113.8	L179 Y225 L226 V229 I247 M248 F249 G259	L179-P261 HydrophobicContact CD1-CB 3.67Å; L179-P261 HydrophobicContact CD1-CG 4.01Å; L179-P261 HydrophobicContact CD2-CB 4.42Å; L179-P261 HydrophobicContact CD2-CG 4Å; Y225-P261 WeakPolarHBondContact OH-CD 3.01Å; Y225-P261 WeakPolarHBondContact OH-CG 3.32Å; Y225-P261 PolarHBondContact OH-O 3.29Å; Y225-P261 VanDerWaalsContact OH-O 3.06Å; L226-P261 HydrophobicContact CD2-CG 3.6Å; V229-P261 HydrophobicContact CG1-CB 4.34Å; V229-P261 WeakPolarHBondContact CG2-O 3.34Å; I247-P261 HydrophobicContact CG2-CB 3.93Å; M248-P261 CarbonylContact O-C 3.45Å; M248-P261 WeakPolarHBondContact O-CA 3.28Å; F249-P261 HydrophobicContact CD1-CB 3.92Å; F249-P261 HydrophobicContact CD1-CG 4.38Å; F249-P261 HydrophobicContact CE1-CB 3.7Å; F249-P261 HydrophobicContact CE1-CG 4.07Å; F249-P261 HydrophobicContact CZ-CB 4.36Å; G259-P261 WeakPolarHBondContact O-CD 3.06Å
262	Y	96.6	Very high	79.4	Confident	45 Å²	45	75.7 Å²	75.7	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	163.9	173.8	67.8	-79.2	0	0	0	110.9	L54 F55 I247 M248 W250	L54-Y262 HydrophobicContact CB-CD1 4.15Å; L54-Y262 HydrophobicContact CB-CD2 3.94Å; L54-Y262 HydrophobicContact CB-CG 3.71Å; L54-Y262 HydrophobicContact CD1-CD1 3.91Å; L54-Y262 HydrophobicContact CD1-CG 4.22Å; L54-Y262 HydrophobicContact CD2-CD1 4.15Å; L54-Y262 HydrophobicContact CD2-CE1 4.07Å; L54-Y262 HydrophobicContact CD2-CG 4.49Å; L54-Y262 HydrophobicContact CG-CD1 4.29Å; L54-Y262 HydrophobicContact CG-CG 4.36Å; L54-Y262 WeakPolarHBondContact O-CD2 3.38Å; F55-Y262 VanDerWaalsContact CE2-CB 3.45Å; I247-Y262 WeakPolarHBondContact CA-O 3.32Å; M248-Y262 HydrophobicContact CB-CD1 4.17Å; M248-Y262 HydrophobicContact CB-CE1 3.56Å; M248-Y262 HydrophobicContact CB-CE2 4.04Å; M248-Y262 VanDerWaalsContact CB-CZ 3.48Å; M248-Y262 PolarHBondContact N-O 3.46Å; M248-Y262 WeakPolarHBondContact O-CD1 3.05Å; M248-Y262 PolarHBondContact O-N 2.91Å; W250-Y262 HydrophobicContact CB-CD1 4.42Å; W250-Y262 HydrophobicContact CB-CE1 4.16Å
263	V	96.9	Very high	77.5	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.9	178.1	-176.8	0	0	0	0	109.9	F55 Y58 V229 A232 P245 V246 I247	F55-V263 HydrophobicContact CE1-CB 3.79Å; F55-V263 HydrophobicContact CE1-CG2 3.81Å; F55-V263 HydrophobicContact CZ-CB 4.23Å; F55-V263 HydrophobicContact CZ-CG2 4.01Å; Y58-V263 HydrophobicContact CD2-CB 4.16Å; Y58-V263 HydrophobicContact CD2-CG1 3.98Å; Y58-V263 HydrophobicContact CE2-CG1 4.49Å; V229-V263 HydrophobicContact CG1-CG2 4.3Å; A232-V263 HydrophobicContact CB-CG2 3.91Å; P245-V263 HydrophobicContact CB-CG1 4.22Å; V246-V263 WeakPolarHBondContact O-CA 3.24Å; I247-V263 HydrophobicContact CD1-CG2 3.86Å
264	S	94.8	Very high	75.9	Confident	7 Å²	7	79.9 Å²	79.9	5%	0.049	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.1	170.5	174.8	0	0	0	0	110.1	E57 V246	E57-S264 PolarHBondContact OE2-OG 2.87Å; V246-S264 WeakPolarHBondContact CG2-O 3.42Å; V246-S264 PolarHBondContact N-O 2.86Å; V246-S264 PolarHBondContact O-N 3.27Å
265	L	94.8	Very high	74	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.9	-171.5	-49.5	167.1	0	0	0	110.8	E57 H61 V236 Q243 P245 C267 V268	E57-L265 VanDerWaalsContact OE1-CA 3.3Å; E57-L265 WeakPolarHBondContact OE1-CA 3.36Å; E57-L265 VanDerWaalsContact OE1-CB 3.23Å; E57-L265 WeakPolarHBondContact OE1-CB 3.43Å; E57-L265 PolarHBondContact OE1-N 3.24Å; H61-L265 HydrophobicContact CB-CD1 3.89Å; V236-L265 HydrophobicContact CG1-CD2 3.83Å; V236-L265 HydrophobicContact CG2-CD2 4.17Å; Q243-L265 HydrophobicContact CB-CD2 4.11Å; Q243-L265 VanDerWaalsContact OE1-CD1 3.22Å; P245-L265 HydrophobicContact CB-CD2 4.45Å; L265-C267 VanDerWaalsContact C-N 3.31Å; L265-C267 PolarHBondContact O-N 3.46Å; L265-V268 HydrophobicContact CB-CG2 4.05Å; L265-V268 HydrophobicContact CD1-CG2 4.34Å; L265-V268 PolarHBondContact O-N 2.92Å
266	L	89.1	Confident	72.3	Confident	93 Å²	93	79.4 Å²	79.4	49%	0.487	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-35.6	-174.8	-68.2	174.6	0	0	0	113.6	Q243 G244 V246 V268 H269 K270	Q243-L266 PolarHBondContact O-N 2.93Å; G244-L266 WeakPolarHBondContact O-CG 3.5Å; G244-L266 PolarHBondContact O-N 3.4Å; V246-L266 HydrophobicContact CG1-CD1 3.63Å; V246-L266 HydrophobicContact CG1-CD2 3.99Å; V246-L266 HydrophobicContact CG1-CG 3.68Å; V246-L266 HydrophobicContact CG2-CD2 3.98Å; V246-L266 HydrophobicContact CG2-CG 4.11Å; L266-V268 VanDerWaalsContact C-N 3.27Å; L266-V268 PolarHBondContact O-N 2.97Å; L266-H269 PolarHBondContact O-N 3.22Å; L266-K270 PolarHBondContact O-N 2.96Å; L266-K270 VanDerWaalsContact O-N 3.17Å
267	C	77.2	Confident	71	Confident	57 Å²	57	88 Å²	88	39%	0.385	46%	0.464	S	S	.	.	H	α-helix	trans	-70.1	-22.4	-177.3	-82.4	0	0	0	0	113.7	E242 Q243 L265 K271	E242-C267 PolarHBondContact O-SG 3.34Å; Q243-C267 PolarHBondContact O-N 2.88Å; L265-C267 VanDerWaalsContact C-N 3.31Å; L265-C267 PolarHBondContact O-N 3.46Å; C267-K271 PolarHBondContact O-N 3.48Å
268	V	69.9	Low	71.4	Confident	36 Å²	36	83.5 Å²	83.5	22%	0.218	45%	0.447	C	S	.	.	H	α-helix	trans	-72.4	-39.9	173.2	179.1	0	0	0	0	110.2	E57 H61 L265 L266 K270 K271 S272	E57-V268 HydrophobicContact CG-CB 4.32Å; E57-V268 HydrophobicContact CG-CG1 4.13Å; E57-V268 HydrophobicContact CG-CG2 4.33Å; E57-V268 WeakPolarHBondContact OE1-CB 3.32Å; H61-V268 HydrophobicContact CB-CG2 4.18Å; L265-V268 HydrophobicContact CB-CG2 4.05Å; L265-V268 HydrophobicContact CD1-CG2 4.34Å; L265-V268 PolarHBondContact O-N 2.92Å; L266-V268 VanDerWaalsContact C-N 3.27Å; L266-V268 PolarHBondContact O-N 2.97Å; V268-K270 PolarHBondContact O-N 3.01Å; V268-K271 PolarHBondContact O-N 3.33Å; V268-S272 PolarHBondContact O-N 2.83Å
269	H	61.9	Low	71	Confident	105 Å²	105	80.8 Å²	80.8	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-65	-37.5	176.3	-79.4	68.2	0	0	0	112.8	E57 L266 S272 S273	E57-H269 IonicContact OE1-ND1 3.84Å; E57-H269 IonicContact OE2-CE1 3.41Å; E57-H269 PolarHBondContact OE2-CE1 3.21Å; E57-H269 IonicContact OE2-ND1 3.83Å; L266-H269 PolarHBondContact O-N 3.22Å; H269-S272 PolarHBondContact O-N 3.36Å; H269-S273 WeakPolarHBondContact O-CB 3.26Å; H269-S273 PolarHBondContact O-N 3.08Å; H269-S273 PolarHBondContact O-OG 2.65Å
270	K	58.8	Low	70.1	Confident	150 Å²	150	84.7 Å²	84.7	65%	0.652	45%	0.452	S	S	*	.	H	α-helix	trans	-62	-41.5	172.4	-79.2	-175.1	177.1	178.7	0	112.2	L266 V268 S273 I274	L266-K270 PolarHBondContact O-N 2.96Å; L266-K270 VanDerWaalsContact O-N 3.17Å; V268-K270 PolarHBondContact O-N 3.01Å; K270-S273 PolarHBondContact O-N 3.36Å; K270-I274 WeakPolarHBondContact O-CD1 3.4Å; K270-I274 VanDerWaalsContact O-CG1 3.28Å; K270-I274 WeakPolarHBondContact O-CG1 3.38Å; K270-I274 PolarHBondContact O-N 3.29Å
271	K	55.8	Low	68.6	Low	171 Å²	171	88.6 Å²	88.6	74%	0.743	47%	0.473	S	S	*	.	H	α-helix	trans	-67	-35.9	176	-77.8	-177.5	177.7	-179.9	0	113.1	C267 V268 I274	C267-K271 PolarHBondContact O-N 3.48Å; V268-K271 PolarHBondContact O-N 3.33Å; K271-I274 PolarHBondContact O-N 3.09Å
272	S	52.4	Low	66.9	Low	89 Å²	89	93.8 Å²	93.8	62%	0.622	50%	0.5	S	S	*	.	H	α-helix	trans	-66.9	-37.6	174.6	179.6	0	0	0	0	112.5	V268 H269 I274	V268-S272 PolarHBondContact O-N 2.83Å; H269-S272 PolarHBondContact O-N 3.36Å; S272-I274 VanDerWaalsContact C-N 3.28Å; S272-I274 PolarHBondContact O-N 3.2Å
273	S	48.4	Very low	64.9	Low	95 Å²	95	97.1 Å²	97.1	66%	0.664	52%	0.522	S	S	*	.	H	α-helix	trans	-74.8	-17.7	178.9	-52.4	0	0	0	0	113.1	H269 K270 K275	H269-S273 WeakPolarHBondContact O-CB 3.26Å; H269-S273 PolarHBondContact O-N 3.08Å; H269-S273 PolarHBondContact O-OG 2.65Å; K270-S273 PolarHBondContact O-N 3.36Å; S273-K275 PolarHBondContact O-N 3.3Å
274	I	48.6	Very low	62.6	Low	131 Å²	131	104 Å²	104	67%	0.672	56%	0.559	S	S	*	*			trans	-93	58.3	169.4	-52.7	160.6	0	0	0	108.2	K270 K271 S272	K270-I274 WeakPolarHBondContact O-CD1 3.4Å; K270-I274 VanDerWaalsContact O-CG1 3.28Å; K270-I274 WeakPolarHBondContact O-CG1 3.38Å; K270-I274 PolarHBondContact O-N 3.29Å; K271-I274 PolarHBondContact O-N 3.09Å; S272-I274 VanDerWaalsContact C-N 3.28Å; S272-I274 PolarHBondContact O-N 3.2Å
275	K	42.8	Very low	60.1	Low	195 Å²	195	111.5 Å²	111.5	85%	0.848	60%	0.598	S	S	*	*			trans	-110.2	79.3	149.3	-86.7	-172.5	173.9	-176.1	0	106.1	S273	S273-K275 PolarHBondContact O-N 3.3Å
276	V	43.6	Very low	57.3	Low	115 Å²	115	120.8 Å²	120.8	70%	0.697	65%	0.648	S	S	*	*			trans	-105.6	130.9	166.8	174.9	0	0	0	0	106.1
277	T	38.7	Very low	54.4	Low	212 Å²	212	123.3 Å²	123.3	100%	1.301	66%	0.663	S	S	*	*			trans	71.9	0	-179.4	55.2	0	0	0	0	117.7

Retrieved 277 of 277 residues in 396.2 ms (Link to these results)

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