A0A077YZA5_TRITR Loading...

Mitochondrial 2-oxodicarboxylate carrier

Transports dicarboxylates across the inner membranes of mitochondria by a counter-exchange mechanism. Can transport 2-oxoadipate (2-oxohexanedioate), 2-oxoglutarate, adipate (hexanedioate), glutarate, and to a lesser extent, pimelate (heptanedioate), 2-oxopimelate (2-oxoheptanedioate), 2-aminoadipate (2-aminohexanedioate), oxaloacetate, and citrate. Plays a central role in catabolism of lysine, hydroxylysine, and tryptophan, by transporting common metabolite intermediates (such as 2-oxoadipate) into the mitochondria, where it is converted into acetyl-CoA and can enter the citric acid (TCA) cycle.

AlphaFold DB , UniProt , Accession A0A077YZA5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 aa.

Structure Viewer

Loading PAE data...

(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	57.6	Low	80.8	Confident	220 Å²	220	97.7 Å²	97.7	100%	1.084	52%	0.517	S	S	*	.				0	-33.9	0	-118.1	83.6	171.7	0	0	114.5	L3 R5	M1-L3 PolarHBondContact O-N 3.18Å; M1-R5 PolarHBondContact O-N 3.47Å
2	G	74.2	Confident	81.6	Confident	40 Å²	40	94.8 Å²	94.8	41%	0.412	51%	0.505	S	S	.	.	H	α-helix	trans	-59.3	-42	-171.6	0	0	0	0	0	116.3	L4 R5 D6	G2-L4 PolarHBondContact O-N 3.34Å; G2-R5 PolarHBondContact O-N 2.79Å; G2-D6 WeakPolarHBondContact O-CB 3.34Å; G2-D6 PolarHBondContact O-N 2.89Å
3	L	75.8	Confident	82.2	Confident	159 Å²	159	87.5 Å²	87.5	83%	0.832	47%	0.466	S	S	*	.	H	α-helix	trans	-63.4	-41.1	-175.8	-155	93.3	0	0	0	113.4	M1 G7	M1-L3 PolarHBondContact O-N 3.18Å; L3-G7 PolarHBondContact O-N 2.96Å
4	L	81.4	Confident	82.6	Confident	152 Å²	152	82.3 Å²	82.3	80%	0.796	44%	0.444	S	S	*	.	H	α-helix	trans	-66.3	-40.3	176.6	-91.3	163	0	0	0	111.2	G2 G7 L8	G2-L4 PolarHBondContact O-N 3.34Å; L4-G7 PolarHBondContact O-N 3.4Å; L4-L8 PolarHBondContact O-N 3.49Å
5	R	82.9	Confident	83	Confident	90 Å²	90	78.7 Å²	78.7	34%	0.34	43%	0.433	S	S	.	.	H	α-helix	trans	-69.2	-44	180	-154.4	-174.1	71.9	-159.8	-11.5	111.4	M1 G2 G7 L8 F9 F291 G292	M1-R5 PolarHBondContact O-N 3.47Å; G2-R5 PolarHBondContact O-N 2.79Å; R5-G7 VanDerWaalsContact C-N 3.33Å; R5-G7 PolarHBondContact O-N 3.45Å; R5-L8 WeakPolarHBondContact O-CB 3.46Å; R5-L8 PolarHBondContact O-N 2.71Å; R5-F9 HydrophobicContact CG-CD1 4.49Å; R5-F9 HydrophobicContact CG-CE1 3.79Å; R5-F9 HydrophobicContact CG-CE2 4.07Å; R5-F9 HydrophobicContact CG-CZ 3.54Å; R5-F9 VanDerWaalsContact NE-CZ 3.26Å; R5-F9 WeakPolarHBondContact O-CD1 2.99Å; R5-F9 VanDerWaalsContact O-CG 3.27Å; R5-F9 WeakPolarHBondContact O-CG 3.44Å; R5-F9 PolarHBondContact O-N 3.01Å; R5-F291 WeakPolarHBondContact CD-O 3.11Å; R5-F291 PolarHBondContact NE-O 3.35Å; R5-F291 PolarHBondContact NH1-O 3.01Å; R5-F291 PolarHBondContact NH2-O 3.14Å; R5-G292 VanDerWaalsContact CZ-C 3.5Å; R5-G292 PolarHBondContact NH1-O 3.12Å; R5-G292 PolarHBondContact NH2-O 3.13Å
6	D	82.2	Confident	83.5	Confident	56 Å²	56	76.1 Å²	76.1	30%	0.299	42%	0.422	S	S	.	.	H	α-helix	trans	-62.7	-41.6	175.6	-72.6	-12.9	0	0	0	111.3	G2 L8 F9 Q10	G2-D6 WeakPolarHBondContact O-CB 3.34Å; G2-D6 PolarHBondContact O-N 2.89Å; D6-L8 VanDerWaalsContact C-N 3.35Å; D6-L8 PolarHBondContact O-N 3.31Å; D6-F9 PolarHBondContact O-N 2.95Å; D6-Q10 VanDerWaalsContact O-CG 3.3Å; D6-Q10 WeakPolarHBondContact O-CG 3.48Å; D6-Q10 PolarHBondContact O-N 3.5Å
7	G	84.7	Confident	83.9	Confident	24 Å²	24	71.6 Å²	71.6	25%	0.247	40%	0.398	C	S	.	.	H	α-helix	trans	-59.6	-43.6	172.8	0	0	0	0	0	112.5	L3 L4 R5 F9 Q10 I11	L3-G7 PolarHBondContact O-N 2.96Å; L4-G7 PolarHBondContact O-N 3.4Å; R5-G7 VanDerWaalsContact C-N 3.33Å; R5-G7 PolarHBondContact O-N 3.45Å; G7-F9 PolarHBondContact O-N 2.94Å; G7-Q10 PolarHBondContact O-N 2.62Å; G7-I11 WeakPolarHBondContact O-CG1 3.49Å; G7-I11 PolarHBondContact O-N 2.9Å
8	L	87.1	Confident	84.2	Confident	107 Å²	107	67.7 Å²	67.7	56%	0.56	38%	0.376	S	S	*	.	H	α-helix	trans	-61.8	-43.8	175.3	-159.7	99.8	0	0	0	111.5	L4 R5 D6 Q10 I11 V12	L4-L8 PolarHBondContact O-N 3.49Å; R5-L8 WeakPolarHBondContact O-CB 3.46Å; R5-L8 PolarHBondContact O-N 2.71Å; D6-L8 VanDerWaalsContact C-N 3.35Å; D6-L8 PolarHBondContact O-N 3.31Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 2.86Å; L8-I11 PolarHBondContact O-N 3.19Å; L8-V12 WeakPolarHBondContact O-CG2 3.34Å; L8-V12 PolarHBondContact O-N 3.4Å
9	F	89.1	Confident	84.6	Confident	10 Å²	10	69.7 Å²	69.7	4%	0.044	38%	0.381	C	S	.	.	H	α-helix	trans	-62.2	-39.4	177.6	-65.2	-11.9	0	0	0	111.9	R5 D6 G7 S13 F284 L287 F291	R5-F9 HydrophobicContact CG-CD1 4.49Å; R5-F9 HydrophobicContact CG-CE1 3.79Å; R5-F9 HydrophobicContact CG-CE2 4.07Å; R5-F9 HydrophobicContact CG-CZ 3.54Å; R5-F9 VanDerWaalsContact NE-CZ 3.26Å; R5-F9 WeakPolarHBondContact O-CD1 2.99Å; R5-F9 VanDerWaalsContact O-CG 3.27Å; R5-F9 WeakPolarHBondContact O-CG 3.44Å; R5-F9 PolarHBondContact O-N 3.01Å; D6-F9 PolarHBondContact O-N 2.95Å; G7-F9 PolarHBondContact O-N 2.94Å; F9-S13 WeakPolarHBondContact O-CB 3.24Å; F9-S13 PolarHBondContact O-N 3.41Å; F9-S13 PolarHBondContact O-OG 2.92Å; F9-F284 HydrophobicContact CB-CD2 4.03Å; F9-F284 HydrophobicContact CB-CE2 3.79Å; F9-L287 HydrophobicContact CB-CB 4.34Å; F9-L287 HydrophobicContact CB-CD1 4.27Å; F9-L287 HydrophobicContact CD1-CB 3.98Å; F9-L287 HydrophobicContact CD1-CD1 4.27Å; F9-L287 HydrophobicContact CD2-CB 4.27Å; F9-L287 HydrophobicContact CE1-CB 4.34Å; F9-L287 HydrophobicContact CG-CB 3.96Å; F9-L287 HydrophobicContact CG-CD1 4.48Å; F9-F291 HydrophobicContact CE1-CB 4Å; F9-F291 HydrophobicContact CZ-CB 3.51Å
10	Q	86.9	Confident	85	Confident	101 Å²	101	68.6 Å²	68.6	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-63.5	-42.4	174.8	-69.3	174.7	7.6	0	0	111.9	D6 G7 L8 G14 F284	D6-Q10 VanDerWaalsContact O-CG 3.3Å; D6-Q10 WeakPolarHBondContact O-CG 3.48Å; D6-Q10 PolarHBondContact O-N 3.5Å; G7-Q10 PolarHBondContact O-N 2.62Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 2.86Å; Q10-G14 PolarHBondContact O-N 2.79Å; Q10-F284 HydrophobicContact CG-CD2 4.26Å; Q10-F284 HydrophobicContact CG-CE2 3.68Å
11	I	87.2	Confident	85.4	Confident	116 Å²	116	65.7 Å²	65.7	60%	0.595	36%	0.36	S	S	*	.	H	α-helix	trans	-64.8	-48.5	178.6	-68.4	168.6	0	0	0	110.7	G7 L8 G14 G15	G7-I11 WeakPolarHBondContact O-CG1 3.49Å; G7-I11 PolarHBondContact O-N 2.9Å; L8-I11 PolarHBondContact O-N 3.19Å; I11-G14 PolarHBondContact O-N 3.4Å; I11-G15 PolarHBondContact O-N 3.48Å
12	V	89.6	Confident	87	Confident	62 Å²	62	55.5 Å²	55.5	38%	0.376	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-43.1	-179.6	175.7	0	0	0	0	111	L8 G15 S16 L287	L8-V12 WeakPolarHBondContact O-CG2 3.34Å; L8-V12 PolarHBondContact O-N 3.4Å; V12-G15 PolarHBondContact O-N 3Å; V12-S16 WeakPolarHBondContact O-CB 3.33Å; V12-S16 PolarHBondContact O-N 3.38Å; V12-S16 PolarHBondContact O-OG 3.15Å; V12-L287 HydrophobicContact CB-CD1 3.95Å; V12-L287 HydrophobicContact CG1-CD1 3.84Å
13	S	90.1	Very high	87.9	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-44	177.9	-53.8	0	0	0	0	111.3	F9 S16 A17 F284	F9-S13 WeakPolarHBondContact O-CB 3.24Å; F9-S13 PolarHBondContact O-N 3.41Å; F9-S13 PolarHBondContact O-OG 2.92Å; S13-S16 PolarHBondContact O-N 3.18Å; S13-A17 WeakPolarHBondContact O-CB 3.43Å; S13-A17 PolarHBondContact O-N 2.69Å; S13-F284 WeakPolarHBondContact OG-CA 3.46Å; S13-F284 PolarHBondContact OG-N 3.37Å; S13-F284 VanDerWaalsContact OG-N 3.15Å
14	G	87.2	Confident	88.7	Confident	15 Å²	15	51.9 Å²	51.9	16%	0.155	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-42	176.9	0	0	0	0	0	113.1	Q10 I11 G18	Q10-G14 PolarHBondContact O-N 2.79Å; I11-G14 PolarHBondContact O-N 3.4Å; G14-G18 PolarHBondContact O-N 3.18Å
15	G	88.5	Confident	89.2	Confident	28 Å²	28	45.1 Å²	45.1	29%	0.289	25%	0.248	S	C	.	.	H	α-helix	trans	-65.5	-45	176.4	0	0	0	0	0	112.4	I11 V12 G18 F19	I11-G15 PolarHBondContact O-N 3.48Å; V12-G15 PolarHBondContact O-N 3Å; G15-G18 PolarHBondContact O-N 3.16Å; G15-F19 WeakPolarHBondContact O-CB 3.43Å; G15-F19 PolarHBondContact O-N 3.03Å
16	S	90.7	Very high	89.7	Confident	37 Å²	37	40.9 Å²	40.9	26%	0.259	23%	0.232	S	C	.	.	H	α-helix	trans	-63.9	-43.8	177	-55.2	0	0	0	0	111.4	V12 S13 F19 V20	V12-S16 WeakPolarHBondContact O-CB 3.33Å; V12-S16 PolarHBondContact O-N 3.38Å; V12-S16 PolarHBondContact O-OG 3.15Å; S13-S16 PolarHBondContact O-N 3.18Å; S16-F19 PolarHBondContact O-N 3.4Å; S16-V20 WeakPolarHBondContact O-CG2 3.39Å; S16-V20 PolarHBondContact O-N 3Å
17	A	91.4	Very high	90.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-43.1	176	0	0	0	0	0	112.4	S13 E21 L276 V279	S13-A17 WeakPolarHBondContact O-CB 3.43Å; S13-A17 PolarHBondContact O-N 2.69Å; A17-E21 VanDerWaalsContact O-CB 3.3Å; A17-E21 WeakPolarHBondContact O-CB 3.31Å; A17-E21 PolarHBondContact O-N 2.89Å; A17-L276 HydrophobicContact CB-CD1 3.78Å; A17-L276 WeakPolarHBondContact CB-O 3.39Å; A17-V279 HydrophobicContact CB-CB 3.96Å; A17-V279 HydrophobicContact CB-CG1 3.96Å
18	G	88.8	Confident	90.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-42	174.7	0	0	0	0	0	112.6	G14 G15 V22	G14-G18 PolarHBondContact O-N 3.18Å; G15-G18 PolarHBondContact O-N 3.16Å; G18-V22 WeakPolarHBondContact O-CB 3.42Å; G18-V22 VanDerWaalsContact O-CG2 3.25Å; G18-V22 WeakPolarHBondContact O-CG2 3.46Å; G18-V22 PolarHBondContact O-N 3.47Å
19	F	91.6	Very high	90.9	Very high	107 Å²	107	34.9 Å²	34.9	47%	0.469	20%	0.195	S	C	.	.	H	α-helix	trans	-60.6	-51.6	176.3	175.5	-98	0	0	0	111.8	G15 S16 E21 V22 C23 I72	G15-F19 WeakPolarHBondContact O-CB 3.43Å; G15-F19 PolarHBondContact O-N 3.03Å; S16-F19 PolarHBondContact O-N 3.4Å; F19-E21 PolarHBondContact O-N 3.19Å; F19-V22 PolarHBondContact O-N 2.87Å; F19-C23 PolarHBondContact O-N 3.39Å; F19-C23 PolarHBondContact O-SG 3.42Å; F19-I72 HydrophobicContact CD2-CD1 3.85Å; F19-I72 HydrophobicContact CD2-CG1 4.21Å; F19-I72 HydrophobicContact CD2-CG2 4.03Å; F19-I72 HydrophobicContact CE2-CD1 3.81Å
20	V	93.2	Very high	91.1	Very high	47 Å²	47	34.4 Å²	34.4	29%	0.285	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-42	-179.6	176.1	0	0	0	0	111.3	S16 V22 C23 I24 I275 V279	S16-V20 WeakPolarHBondContact O-CG2 3.39Å; S16-V20 PolarHBondContact O-N 3Å; V20-V22 PolarHBondContact O-N 2.89Å; V20-C23 PolarHBondContact O-N 2.93Å; V20-I24 HydrophobicContact CG1-CD1 3.74Å; V20-I24 HydrophobicContact CG1-CG1 4.44Å; V20-I24 WeakPolarHBondContact O-CG1 3.21Å; V20-I24 PolarHBondContact O-N 2.9Å; V20-I275 HydrophobicContact CG1-CG2 4.11Å; V20-V279 HydrophobicContact CB-CG1 4.37Å; V20-V279 HydrophobicContact CB-CG2 4.17Å; V20-V279 HydrophobicContact CG1-CG2 3.89Å; V20-V279 HydrophobicContact CG2-CG1 4.22Å
21	E	93.5	Very high	91.4	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-59.1	-48.1	175.9	-174.3	-90.9	172.5	0	0	111.5	A17 F19 C23 I24 M25 R268 G272 I275 L276	A17-E21 VanDerWaalsContact O-CB 3.3Å; A17-E21 WeakPolarHBondContact O-CB 3.31Å; A17-E21 PolarHBondContact O-N 2.89Å; F19-E21 PolarHBondContact O-N 3.19Å; E21-C23 PolarHBondContact O-N 3.4Å; E21-I24 PolarHBondContact O-N 2.91Å; E21-M25 HydrophobicContact CG-CG 4.24Å; E21-M25 VanDerWaalsContact O-CB 3.22Å; E21-M25 WeakPolarHBondContact O-CB 3.27Å; E21-M25 VanDerWaalsContact O-CG 3.31Å; E21-M25 WeakPolarHBondContact O-CG 3.2Å; E21-M25 PolarHBondContact O-N 2.86Å; E21-R268 IonicContact OE1-CZ 3.91Å; E21-R268 IonicContact OE1-NE 2.87Å; E21-R268 IonicContact OE1-NH1 3.6Å; E21-R268 IonicContact OE1-NH2 3.33Å; E21-R268 PolarHBondContact OE1-NH2 2.98Å; E21-R268 IonicContact OE2-NH2 2.78Å; E21-R268 PolarHBondContact OE2-NH2 3.41Å; E21-G272 WeakPolarHBondContact CG-O 3.47Å; E21-I275 HydrophobicContact CB-CG2 4.33Å; E21-L276 HydrophobicContact CB-CD1 4.49Å; E21-L276 HydrophobicContact CG-CB 4.45Å
22	V	90.8	Very high	91.7	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.03	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-45.3	178.1	170.3	0	0	0	0	110.5	G18 F19 V20 I24 M25 Q26 M68 P71 I72	G18-V22 WeakPolarHBondContact O-CB 3.42Å; G18-V22 VanDerWaalsContact O-CG2 3.25Å; G18-V22 WeakPolarHBondContact O-CG2 3.46Å; G18-V22 PolarHBondContact O-N 3.47Å; F19-V22 PolarHBondContact O-N 2.87Å; V20-V22 PolarHBondContact O-N 2.89Å; V22-I24 VanDerWaalsContact C-N 3.33Å; V22-I24 PolarHBondContact O-N 3.15Å; V22-M25 PolarHBondContact O-N 3.19Å; V22-Q26 WeakPolarHBondContact O-CA 3.27Å; V22-Q26 VanDerWaalsContact O-CB 3.24Å; V22-Q26 WeakPolarHBondContact O-CB 3.41Å; V22-Q26 PolarHBondContact O-N 3.43Å; V22-M68 HydrophobicContact CG1-CG 3.81Å; V22-P71 HydrophobicContact CG1-CB 4Å; V22-P71 HydrophobicContact CG2-CB 4.37Å; V22-I72 HydrophobicContact CB-CG1 4.26Å; V22-I72 HydrophobicContact CG1-CD1 4.44Å; V22-I72 HydrophobicContact CG1-CG1 3.76Å
23	C	92.3	Very high	91.8	Very high	31 Å²	31	22.7 Å²	22.7	21%	0.209	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-42.3	178.7	-70.9	0	0	0	0	112.4	F19 V20 E21 Y65 M68	F19-C23 PolarHBondContact O-N 3.39Å; F19-C23 PolarHBondContact O-SG 3.42Å; V20-C23 PolarHBondContact O-N 2.93Å; E21-C23 PolarHBondContact O-N 3.4Å; C23-Y65 VanDerWaalsContact O-CE1 3.32Å; C23-Y65 WeakPolarHBondContact O-CE1 3.32Å; C23-M68 VanDerWaalsContact SG-SD 3.68Å
24	I	93.4	Very high	91.8	Very high	93 Å²	93	22.7 Å²	22.7	48%	0.477	13%	0.132	S	C	.	.	H	α-helix	trans	-77.4	-37	-178.8	-61.3	171.1	0	0	0	111.2	V20 E21 V22 P27 I275	V20-I24 HydrophobicContact CG1-CD1 3.74Å; V20-I24 HydrophobicContact CG1-CG1 4.44Å; V20-I24 WeakPolarHBondContact O-CG1 3.21Å; V20-I24 PolarHBondContact O-N 2.9Å; E21-I24 PolarHBondContact O-N 2.91Å; V22-I24 VanDerWaalsContact C-N 3.33Å; V22-I24 PolarHBondContact O-N 3.15Å; I24-P27 WeakPolarHBondContact O-CD 3.3Å; I24-I275 HydrophobicContact CB-CD1 4.06Å; I24-I275 HydrophobicContact CD1-CD1 3.92Å; I24-I275 HydrophobicContact CD1-CG2 4.16Å; I24-I275 HydrophobicContact CG2-CD1 3.73Å
25	M	93.1	Very high	92.1	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.049	13%	0.13	C	C	.	.	H	α-helix	trans	-88.2	-9.6	-174.7	-64.7	-62.3	140.9	0	0	114.2	E21 V22 P27 L28 D29 R268 P271 I275	E21-M25 HydrophobicContact CG-CG 4.24Å; E21-M25 VanDerWaalsContact O-CB 3.22Å; E21-M25 WeakPolarHBondContact O-CB 3.27Å; E21-M25 VanDerWaalsContact O-CG 3.31Å; E21-M25 WeakPolarHBondContact O-CG 3.2Å; E21-M25 PolarHBondContact O-N 2.86Å; V22-M25 PolarHBondContact O-N 3.19Å; M25-P27 VanDerWaalsContact C-CD 3.42Å; M25-P27 VanDerWaalsContact C-N 3.34Å; M25-L28 PolarHBondContact O-N 2.65Å; M25-L28 HydrophobicContact SD-CD1 4.11Å; M25-D29 PolarHBondContact O-N 2.94Å; M25-D29 VanDerWaalsContact O-N 3.11Å; M25-R268 HydrophobicContact CB-CG 4.34Å; M25-R268 HydrophobicContact CG-CG 4.34Å; M25-R268 HydrophobicContact SD-CG 4.3Å; M25-P271 HydrophobicContact CE-CB 3.47Å; M25-P271 VanDerWaalsContact CE-CB 3.47Å; M25-P271 HydrophobicContact SD-CB 4.25Å; M25-I275 HydrophobicContact CE-CD1 3.26Å
26	Q	93	Very high	92.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-52.8	-40.6	-178.5	-172.1	66.3	9.1	0	0	114.3	V22 L28 D29 L30 Y65 K66 G67 M68	V22-Q26 WeakPolarHBondContact O-CA 3.27Å; V22-Q26 VanDerWaalsContact O-CB 3.24Å; V22-Q26 WeakPolarHBondContact O-CB 3.41Å; V22-Q26 PolarHBondContact O-N 3.43Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 2.92Å; Q26-D29 WeakPolarHBondContact O-CB 3.19Å; Q26-D29 PolarHBondContact O-N 3.48Å; Q26-D29 VanDerWaalsContact O-N 3.17Å; Q26-L30 PolarHBondContact O-N 3.38Å; Q26-Y65 HydrophobicContact CB-CD1 3.89Å; Q26-Y65 HydrophobicContact CB-CE1 4.28Å; Q26-Y65 HydrophobicContact CG-CD1 3.99Å; Q26-K66 PolarHBondContact NE2-O 3.47Å; Q26-G67 VanDerWaalsContact NE2-C 3.29Å; Q26-G67 PolarHBondContact NE2-O 2.92Å; Q26-M68 HydrophobicContact CB-CE 4.17Å; Q26-M68 HydrophobicContact CG-CB 4.06Å; Q26-M68 HydrophobicContact CG-CE 4.2Å; Q26-M68 HydrophobicContact CG-CG 4.22Å
27	P	93.7	Very high	92.1	Very high	20 Å²	20	21.1 Å²	21.1	13%	0.13	11%	0.109	C	C	.	.	H	α-helix	trans	-59.2	-40.1	176.7	-25.9	36.5	0	0	0	112.9	I24 M25 L30 V31 L64 Y65	I24-P27 WeakPolarHBondContact O-CD 3.3Å; M25-P27 VanDerWaalsContact C-CD 3.42Å; M25-P27 VanDerWaalsContact C-N 3.34Å; P27-L30 PolarHBondContact O-N 2.92Å; P27-V31 WeakPolarHBondContact O-CG2 3.19Å; P27-V31 PolarHBondContact O-N 3.5Å; P27-L64 HydrophobicContact CB-CB 4.25Å; P27-L64 HydrophobicContact CB-CD1 4.39Å; P27-L64 HydrophobicContact CB-CD2 4.42Å; P27-L64 HydrophobicContact CG-CB 4.3Å; P27-Y65 HydrophobicContact CG-CE1 4.23Å
28	L	93	Very high	92	Very high	28 Å²	28	21.6 Å²	21.6	15%	0.147	11%	0.111	C	C	.	.	H	α-helix	trans	-69.5	-37.1	176.6	-71.4	178.6	0	0	0	111.8	M25 Q26 L30 V31 K32 V48 M267 R268	M25-L28 PolarHBondContact O-N 2.65Å; M25-L28 HydrophobicContact SD-CD1 4.11Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 2.92Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-V31 PolarHBondContact O-N 2.94Å; L28-K32 VanDerWaalsContact O-CB 3.27Å; L28-K32 WeakPolarHBondContact O-CB 3.27Å; L28-K32 PolarHBondContact O-N 3.04Å; L28-V48 HydrophobicContact CD2-CG1 4.13Å; L28-M267 HydrophobicContact CD1-CB 4.36Å; L28-R268 HydrophobicContact CD1-CB 4.38Å
29	D	91.9	Very high	91.8	Very high	13 Å²	13	25.3 Å²	25.3	7%	0.07	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-42.6	174.1	-89.2	15.7	0	0	0	111.5	M25 Q26 K32 T33 K128 R268	M25-D29 PolarHBondContact O-N 2.94Å; M25-D29 VanDerWaalsContact O-N 3.11Å; Q26-D29 WeakPolarHBondContact O-CB 3.19Å; Q26-D29 PolarHBondContact O-N 3.48Å; Q26-D29 VanDerWaalsContact O-N 3.17Å; D29-K32 PolarHBondContact O-N 3.05Å; D29-T33 PolarHBondContact O-N 3.48Å; D29-T33 PolarHBondContact O-OG1 3.34Å; D29-T33 VanDerWaalsContact O-OG1 3.14Å; D29-K128 IonicContact OD2-NZ 3.77Å; D29-K128 PolarHBondContact OD2-NZ 3.35Å; D29-R268 WeakPolarHBondContact OD1-CD 3.5Å; D29-R268 IonicContact OD1-CZ 3.5Å; D29-R268 IonicContact OD1-NE 2.72Å; D29-R268 PolarHBondContact OD1-NE 3.28Å
30	L	92.4	Very high	91.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-50.4	175.5	-177	137.5	0	0	0	111	Q26 P27 L28 K32 T33 R34 V55 S63 L64 K66	Q26-L30 PolarHBondContact O-N 3.38Å; P27-L30 PolarHBondContact O-N 2.92Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L30-K32 VanDerWaalsContact C-N 3.29Å; L30-K32 PolarHBondContact O-N 2.86Å; L30-T33 PolarHBondContact O-N 2.88Å; L30-R34 HydrophobicContact CD2-CG 3.9Å; L30-R34 HydrophobicContact CG-CG 4.26Å; L30-R34 WeakPolarHBondContact O-CB 3.45Å; L30-R34 WeakPolarHBondContact O-CG 3.43Å; L30-R34 PolarHBondContact O-N 2.97Å; L30-V55 HydrophobicContact CD2-CG1 4.15Å; L30-V55 HydrophobicContact CD2-CG2 3.96Å; L30-S63 WeakPolarHBondContact CD1-O 3.07Å; L30-L64 HydrophobicContact CD2-CD2 4.37Å; L30-K66 HydrophobicContact CD1-CB 4.06Å
31	V	93.7	Very high	90.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.2	-45.9	178.6	173.6	0	0	0	0	110.6	P27 L28 T33 R34 F35 V48 C51 M52 P264	P27-V31 WeakPolarHBondContact O-CG2 3.19Å; P27-V31 PolarHBondContact O-N 3.5Å; L28-V31 PolarHBondContact O-N 2.94Å; V31-T33 PolarHBondContact O-N 3.48Å; V31-R34 PolarHBondContact O-N 3.34Å; V31-F35 HydrophobicContact CG1-CD2 3.67Å; V31-F35 HydrophobicContact CG1-CE2 3.78Å; V31-F35 WeakPolarHBondContact O-CD2 3.45Å; V31-F35 PolarHBondContact O-N 3.35Å; V31-V48 HydrophobicContact CG1-CB 4.32Å; V31-V48 HydrophobicContact CG1-CG1 4.04Å; V31-V48 HydrophobicContact CG1-CG2 4.3Å; V31-C51 HydrophobicContact CG1-CB 3.94Å; V31-C51 HydrophobicContact CG2-CB 4.22Å; V31-M52 HydrophobicContact CG2-CG 3.57Å; V31-P264 HydrophobicContact CG1-CB 4.4Å; V31-P264 HydrophobicContact CG1-CG 4.45Å
32	K	93.4	Very high	89.7	Confident	30 Å²	30	32.1 Å²	32.1	13%	0.13	18%	0.178	C	C	.	.	H	α-helix	trans	-54.1	-54.2	175.6	178.4	-150.3	165.9	-164.5	0	111.2	L28 D29 L30 R34 F35 Q36 D224 P264	L28-K32 VanDerWaalsContact O-CB 3.27Å; L28-K32 WeakPolarHBondContact O-CB 3.27Å; L28-K32 PolarHBondContact O-N 3.04Å; D29-K32 PolarHBondContact O-N 3.05Å; L30-K32 VanDerWaalsContact C-N 3.29Å; L30-K32 PolarHBondContact O-N 2.86Å; K32-R34 VanDerWaalsContact C-N 3.32Å; K32-R34 PolarHBondContact O-N 3.38Å; K32-F35 PolarHBondContact O-N 3.42Å; K32-Q36 WeakPolarHBondContact O-CG 3.2Å; K32-Q36 PolarHBondContact O-N 3.37Å; K32-D224 WeakPolarHBondContact CE-OD2 3.32Å; K32-D224 VanDerWaalsContact NZ-CG 3.35Å; K32-D224 IonicContact NZ-OD1 2.8Å; K32-D224 PolarHBondContact NZ-OD1 3.45Å; K32-D224 IonicContact NZ-OD2 2.78Å; K32-D224 PolarHBondContact NZ-OD2 3.39Å; K32-P264 HydrophobicContact CB-CB 4.17Å; K32-P264 HydrophobicContact CB-CG 3.94Å; K32-P264 HydrophobicContact CG-CG 4.47Å
33	T	91.5	Very high	89.3	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-43.7	-179.3	-60.3	0	0	0	0	110.8	D29 L30 V31 F35 Q36 I37 V129 Q132	D29-T33 PolarHBondContact O-N 3.48Å; D29-T33 PolarHBondContact O-OG1 3.34Å; D29-T33 VanDerWaalsContact O-OG1 3.14Å; L30-T33 PolarHBondContact O-N 2.88Å; V31-T33 PolarHBondContact O-N 3.48Å; T33-F35 VanDerWaalsContact C-N 3.32Å; T33-F35 PolarHBondContact O-N 2.78Å; T33-Q36 PolarHBondContact O-N 2.86Å; T33-Q36 VanDerWaalsContact O-N 3.14Å; T33-I37 HydrophobicContact CG2-CG2 4.37Å; T33-I37 WeakPolarHBondContact O-CG1 3.38Å; T33-I37 WeakPolarHBondContact O-CG2 3.34Å; T33-I37 PolarHBondContact O-N 3.41Å; T33-V129 HydrophobicContact CG2-CG1 4.12Å; T33-V129 HydrophobicContact CG2-CG2 4.36Å; T33-Q132 VanDerWaalsContact CB-OE1 3.31Å; T33-Q132 HydrophobicContact CG2-CB 3.87Å; T33-Q132 PolarHBondContact OG1-OE1 3.37Å
34	R	91.3	Very high	89	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-39.5	177.2	-67.8	-66.2	-163.7	-159.2	5.5	112.6	L30 V31 K32 I37 Q38 Y45 E59 Q132 A133 D134 R135	L30-R34 HydrophobicContact CD2-CG 3.9Å; L30-R34 HydrophobicContact CG-CG 4.26Å; L30-R34 WeakPolarHBondContact O-CB 3.45Å; L30-R34 WeakPolarHBondContact O-CG 3.43Å; L30-R34 PolarHBondContact O-N 2.97Å; V31-R34 PolarHBondContact O-N 3.34Å; K32-R34 VanDerWaalsContact C-N 3.32Å; K32-R34 PolarHBondContact O-N 3.38Å; R34-I37 WeakPolarHBondContact O-CG1 3.39Å; R34-Q38 PolarHBondContact O-N 3.48Å; R34-Y45 HydrophobicContact CB-CD2 4.21Å; R34-Y45 HydrophobicContact CB-CE2 3.8Å; R34-Y45 HydrophobicContact CG-CE2 4.39Å; R34-E59 IonicContact CZ-OE1 2.83Å; R34-E59 IonicContact NE-OE1 2.79Å; R34-E59 VanDerWaalsContact NH2-CD 3.33Å; R34-E59 IonicContact NH2-OE1 2.7Å; R34-E59 PolarHBondContact NH2-OE1 3.35Å; R34-E59 IonicContact NH2-OE2 3.18Å; R34-E59 PolarHBondContact NH2-OE2 2.86Å; R34-Q132 WeakPolarHBondContact CD-O 3.35Å; R34-Q132 PolarHBondContact NE-O 2.94Å; R34-Q132 PolarHBondContact NH1-O 3.21Å; R34-A133 PolarHBondContact NH1-O 3.19Å; R34-D134 PolarHBondContact NH1-O 2.84Å; R34-D134 PolarHBondContact NH2-O 3.35Å; R34-R135 VanDerWaalsContact CZ-CG 3.41Å
35	F	92.1	Very high	88.8	Confident	27 Å²	27	34.6 Å²	34.6	12%	0.118	19%	0.186	C	C	.	.	H	α-helix	trans	-69.5	-38	174.3	-94.2	-96.7	0	0	0	112.6	V31 K32 T33 Q38 S47 C51 K260	V31-F35 HydrophobicContact CG1-CD2 3.67Å; V31-F35 HydrophobicContact CG1-CE2 3.78Å; V31-F35 WeakPolarHBondContact O-CD2 3.45Å; V31-F35 PolarHBondContact O-N 3.35Å; K32-F35 PolarHBondContact O-N 3.42Å; T33-F35 VanDerWaalsContact C-N 3.32Å; T33-F35 PolarHBondContact O-N 2.78Å; F35-Q38 WeakPolarHBondContact O-CG 3.38Å; F35-S47 WeakPolarHBondContact CZ-O 3.3Å; F35-C51 HydrophobicContact CD2-CB 4.44Å; F35-C51 HydrophobicContact CE2-CB 3.73Å; F35-K260 WeakPolarHBondContact O-CB 3.29Å
36	Q	90.9	Very high	88.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.6	-35.4	-179	-72.3	179.3	-26.7	0	0	112.6	K32 T33 D224 V225 S228 R229 K260	K32-Q36 WeakPolarHBondContact O-CG 3.2Å; K32-Q36 PolarHBondContact O-N 3.37Å; T33-Q36 PolarHBondContact O-N 2.86Å; T33-Q36 VanDerWaalsContact O-N 3.14Å; Q36-D224 VanDerWaalsContact NE2-CG 3.3Å; Q36-D224 PolarHBondContact NE2-OD2 3.25Å; Q36-V225 HydrophobicContact CG-CG2 4.03Å; Q36-S228 PolarHBondContact OE1-OG 3.14Å; Q36-R229 WeakPolarHBondContact O-CG 3.29Å; Q36-R229 PolarHBondContact O-NE 3.49Å; Q36-R229 VanDerWaalsContact O-NE 3.12Å; Q36-K260 VanDerWaalsContact CG-O 3.24Å; Q36-K260 WeakPolarHBondContact CG-O 3.3Å
37	I	89.8	Confident	88.5	Confident	19 Å²	19	47.3 Å²	47.3	10%	0.097	24%	0.242	C	C	.	.	H	α-helix	trans	-82.5	-17.1	179.4	68.9	-177.9	0	0	0	113.6	T33 R34 H39 A133 A232	T33-I37 HydrophobicContact CG2-CG2 4.37Å; T33-I37 WeakPolarHBondContact O-CG1 3.38Å; T33-I37 WeakPolarHBondContact O-CG2 3.34Å; T33-I37 PolarHBondContact O-N 3.41Å; R34-I37 WeakPolarHBondContact O-CG1 3.39Å; I37-H39 PolarHBondContact O-ND1 2.75Å; I37-A133 HydrophobicContact CD1-CB 3.9Å; I37-A232 HydrophobicContact CB-CB 4.42Å; I37-A232 HydrophobicContact CG2-CB 3.61Å
38	Q	88.7	Confident	88.4	Confident	10 Å²	10	47.2 Å²	47.2	5%	0.047	24%	0.242	C	C	.	.			trans	-74.7	134.8	-179.7	81.1	178.4	-38	0	0	111.6	R34 F35 R44 Y45 R229 K260	R34-Q38 PolarHBondContact O-N 3.48Å; F35-Q38 WeakPolarHBondContact O-CG 3.38Å; Q38-R44 VanDerWaalsContact OE1-N 3.15Å; Q38-Y45 PolarHBondContact NE2-O 3.31Å; Q38-Y45 VanDerWaalsContact OE1-N 3.14Å; Q38-R229 PolarHBondContact O-NH2 2.96Å; Q38-K260 HydrophobicContact CG-CD 4.47Å; Q38-K260 PolarHBondContact O-NZ 3.48Å
39	H	84.4	Confident	88.4	Confident	79 Å²	79	50 Å²	50	37%	0.366	26%	0.259	S	S	.	.			trans	-82.4	152.7	175.5	-67.4	72.6	0	0	0	110.3	I37 E253 K260	I37-H39 PolarHBondContact O-ND1 2.75Å; H39-E253 IonicContact CD2-OE1 3.05Å; H39-E253 PolarHBondContact CD2-OE1 2.99Å; H39-E253 IonicContact CG-OE1 2.88Å; H39-K260 VanDerWaalsContact C-NZ 3.31Å
40	S	80.4	Confident	88.5	Confident	49 Å²	49	51.1 Å²	51.1	34%	0.343	27%	0.265	S	S	.	.	S	Bend	trans	-73.2	-24	-175.7	-69.2	0	0	0	0	114	A42 P43 E253 K260	S40-A42 VanDerWaalsContact C-N 3.32Å; S40-A42 PolarHBondContact O-N 3.5Å; S40-P43 WeakPolarHBondContact O-CD 3.39Å; S40-E253 PolarHBondContact N-OE2 2.94Å; S40-E253 PolarHBondContact OG-OE2 3.14Å; S40-E253 VanDerWaalsContact OG-OE2 3.06Å; S40-K260 WeakPolarHBondContact OG-CE 3.37Å; S40-K260 PolarHBondContact OG-NZ 2.65Å
41	E	75.8	Confident	88.5	Confident	175 Å²	175	51.1 Å²	51.1	82%	0.818	27%	0.265	S	S	*	.	S	Bend	trans	-68.3	-30.3	-176.4	-64.4	178.3	172.8	0	0	112.8
42	A	78.5	Confident	88.5	Confident	82 Å²	82	53.8 Å²	53.8	68%	0.678	28%	0.278	S	S	*	.	S	Bend	trans	-139.5	74.1	179.2	0	0	0	0	0	111.1	S40 R44	S40-A42 VanDerWaalsContact C-N 3.32Å; S40-A42 PolarHBondContact O-N 3.5Å; A42-R44 PolarHBondContact O-N 3.49Å; A42-R44 VanDerWaalsContact O-N 3.13Å
43	P	81.5	Confident	88.5	Confident	78 Å²	78	57.2 Å²	57.2	51%	0.506	30%	0.297	S	S	.	.			trans	-71.7	111.1	-176.3	28.5	-31.5	0	0	0	110.2	S40	S40-P43 WeakPolarHBondContact O-CD 3.39Å
44	R	86	Confident	88.6	Confident	99 Å²	99	59.2 Å²	59.2	37%	0.374	31%	0.306	S	S	.	.	S	Bend	trans	-72.3	-32.7	175.5	-174.5	170.5	-178.5	154	-6.1	111.7	Q38 A42 K54 D58	Q38-R44 VanDerWaalsContact OE1-N 3.15Å; A42-R44 PolarHBondContact O-N 3.49Å; A42-R44 VanDerWaalsContact O-N 3.13Å; R44-K54 PolarHBondContact O-NZ 3.5Å; R44-D58 IonicContact CZ-OD2 3.11Å; R44-D58 IonicContact NH2-OD2 3.65Å; R44-D58 PolarHBondContact NH2-OD2 3.48Å
45	Y	88.6	Confident	88.7	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.016	31%	0.306	C	S	.	.			trans	-117.6	122.1	-173.4	-52.3	-61.1	0	0	0	111	R34 Q38 C51 K54	R34-Y45 HydrophobicContact CB-CD2 4.21Å; R34-Y45 HydrophobicContact CB-CE2 3.8Å; R34-Y45 HydrophobicContact CG-CE2 4.39Å; Q38-Y45 PolarHBondContact NE2-O 3.31Å; Q38-Y45 VanDerWaalsContact OE1-N 3.14Å; Y45-C51 HydrophobicContact CD1-CB 3.69Å; Y45-C51 HydrophobicContact CE1-CB 4.31Å; Y45-C51 HydrophobicContact CG-CB 3.83Å; Y45-K54 HydrophobicContact CD1-CB 4.42Å; Y45-K54 HydrophobicContact CD1-CD 4Å; Y45-K54 HydrophobicContact CE1-CB 3.98Å; Y45-K54 HydrophobicContact CE1-CD 4.19Å
46	R	88.2	Confident	88.6	Confident	219 Å²	219	59.7 Å²	59.7	83%	0.826	31%	0.312	S	S	*	.	S	Bend	trans	-91.5	-36.1	-179.2	-64.8	-176.3	177.8	-173.6	-0.6	112.7	D50	R46-D50 PolarHBondContact N-OD2 2.98Å
47	S	91.9	Very high	88.6	Confident	57 Å²	57	68.5 Å²	68.5	40%	0.399	35%	0.345	S	S	.	.	S	Bend	trans	-142.2	167.5	-179.4	71.3	0	0	0	0	111.3	F35 V49 D50 C51	F35-S47 WeakPolarHBondContact CZ-O 3.3Å; S47-V49 VanDerWaalsContact C-N 3.29Å; S47-V49 PolarHBondContact O-N 2.83Å; S47-D50 PolarHBondContact O-N 3.04Å; S47-D50 VanDerWaalsContact OG-CB 3.26Å; S47-D50 WeakPolarHBondContact OG-CB 3.21Å; S47-D50 PolarHBondContact OG-N 2.84Å; S47-D50 VanDerWaalsContact OG-N 3.07Å; S47-C51 WeakPolarHBondContact O-CB 3.49Å; S47-C51 PolarHBondContact O-N 3Å
48	V	92.4	Very high	88.6	Confident	19 Å²	19	70.9 Å²	70.9	12%	0.115	36%	0.358	C	S	.	.	H	α-helix	trans	-58.2	-45.2	176.2	174.2	0	0	0	0	110.3	L28 V31 C51 M52 V263 P264 M267	L28-V48 HydrophobicContact CD2-CG1 4.13Å; V31-V48 HydrophobicContact CG1-CB 4.32Å; V31-V48 HydrophobicContact CG1-CG1 4.04Å; V31-V48 HydrophobicContact CG1-CG2 4.3Å; V48-C51 WeakPolarHBondContact O-CB 3.25Å; V48-C51 PolarHBondContact O-N 3.32Å; V48-M52 HydrophobicContact CG1-CE 4.21Å; V48-M52 WeakPolarHBondContact O-CG 3.31Å; V48-M52 PolarHBondContact O-N 2.96Å; V48-V263 HydrophobicContact CG2-CG1 4.09Å; V48-P264 HydrophobicContact CG2-CB 4.27Å; V48-P264 HydrophobicContact CG2-CG 4.43Å; V48-M267 HydrophobicContact CG2-SD 4.4Å
49	V	93.8	Very high	88.6	Confident	86 Å²	86	71 Å²	71	52%	0.521	36%	0.359	S	S	.	.	H	α-helix	trans	-66.3	-44.7	178.8	-179.1	0	0	0	0	111.4	S47 C51 M52 I53	S47-V49 VanDerWaalsContact C-N 3.29Å; S47-V49 PolarHBondContact O-N 2.83Å; V49-C51 VanDerWaalsContact C-N 3.26Å; V49-C51 PolarHBondContact O-N 2.91Å; V49-M52 HydrophobicContact CG2-CE 4.29Å; V49-M52 PolarHBondContact O-N 3.42Å; V49-I53 HydrophobicContact CG1-CD1 3.76Å; V49-I53 HydrophobicContact CG1-CG1 4.32Å; V49-I53 WeakPolarHBondContact O-CG1 3.34Å; V49-I53 PolarHBondContact O-N 2.93Å
50	D	93.7	Very high	88.8	Confident	36 Å²	36	68.6 Å²	68.6	19%	0.193	36%	0.355	C	S	.	.	H	α-helix	trans	-58.6	-38.8	175.4	174.9	60	0	0	0	111.6	R46 S47 K54	R46-D50 PolarHBondContact N-OD2 2.98Å; S47-D50 PolarHBondContact O-N 3.04Å; S47-D50 VanDerWaalsContact OG-CB 3.26Å; S47-D50 WeakPolarHBondContact OG-CB 3.21Å; S47-D50 PolarHBondContact OG-N 2.84Å; S47-D50 VanDerWaalsContact OG-N 3.07Å; D50-K54 WeakPolarHBondContact O-CB 3.44Å; D50-K54 WeakPolarHBondContact O-CG 3.25Å; D50-K54 PolarHBondContact O-N 3.31Å; D50-K54 WeakPolarHBondContact OD1-CE 3.48Å; D50-K54 IonicContact OD1-NZ 2.74Å; D50-K54 PolarHBondContact OD1-NZ 3.3Å; D50-K54 IonicContact OD2-NZ 2.67Å; D50-K54 PolarHBondContact OD2-NZ 3.32Å
51	C	92.5	Very high	89.2	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-47.8	174.6	-171	0	0	0	0	112.4	V31 F35 Y45 S47 V48 V49 I53 K54 V55	V31-C51 HydrophobicContact CG1-CB 3.94Å; V31-C51 HydrophobicContact CG2-CB 4.22Å; F35-C51 HydrophobicContact CD2-CB 4.44Å; F35-C51 HydrophobicContact CE2-CB 3.73Å; Y45-C51 HydrophobicContact CD1-CB 3.69Å; Y45-C51 HydrophobicContact CE1-CB 4.31Å; Y45-C51 HydrophobicContact CG-CB 3.83Å; S47-C51 WeakPolarHBondContact O-CB 3.49Å; S47-C51 PolarHBondContact O-N 3Å; V48-C51 WeakPolarHBondContact O-CB 3.25Å; V48-C51 PolarHBondContact O-N 3.32Å; V49-C51 VanDerWaalsContact C-N 3.26Å; V49-C51 PolarHBondContact O-N 2.91Å; C51-I53 PolarHBondContact O-N 2.91Å; C51-K54 PolarHBondContact O-N 2.95Å; C51-V55 WeakPolarHBondContact O-CB 3.04Å; C51-V55 VanDerWaalsContact O-CG2 3.24Å; C51-V55 WeakPolarHBondContact O-CG2 3.47Å; C51-V55 PolarHBondContact O-N 3.5Å
52	M	92.9	Very high	89.9	Confident	56 Å²	56	67.6 Å²	67.6	28%	0.276	36%	0.355	S	S	.	.	H	α-helix	trans	-60.7	-45.6	177.9	-67.9	-172.7	-63.1	0	0	111.6	V31 V48 V49 V55 C56 L64	V31-M52 HydrophobicContact CG2-CG 3.57Å; V48-M52 HydrophobicContact CG1-CE 4.21Å; V48-M52 WeakPolarHBondContact O-CG 3.31Å; V48-M52 PolarHBondContact O-N 2.96Å; V49-M52 HydrophobicContact CG2-CE 4.29Å; V49-M52 PolarHBondContact O-N 3.42Å; M52-V55 PolarHBondContact O-N 3.46Å; M52-C56 WeakPolarHBondContact O-CB 3.41Å; M52-C56 PolarHBondContact O-N 3.11Å; M52-C56 PolarHBondContact O-SG 2.87Å; M52-L64 HydrophobicContact CG-CD2 4.41Å
53	I	94.4	Very high	90.5	Very high	103 Å²	103	63.7 Å²	63.7	53%	0.528	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-48.6	178.9	-67.8	170.8	0	0	0	110.7	V49 C51 V55 C56 R57	V49-I53 HydrophobicContact CG1-CD1 3.76Å; V49-I53 HydrophobicContact CG1-CG1 4.32Å; V49-I53 WeakPolarHBondContact O-CG1 3.34Å; V49-I53 PolarHBondContact O-N 2.93Å; C51-I53 PolarHBondContact O-N 2.91Å; I53-V55 PolarHBondContact O-N 3.04Å; I53-C56 PolarHBondContact O-N 3.42Å; I53-R57 VanDerWaalsContact O-CB 3.31Å; I53-R57 WeakPolarHBondContact O-CB 3.38Å; I53-R57 PolarHBondContact O-N 2.85Å
54	K	93.4	Very high	90.9	Very high	45 Å²	45	61 Å²	61	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-40.1	179	-77.6	170.7	175.5	158.6	0	112.4	R44 Y45 D50 C51 R57 D58	R44-K54 PolarHBondContact O-NZ 3.5Å; Y45-K54 HydrophobicContact CD1-CB 4.42Å; Y45-K54 HydrophobicContact CD1-CD 4Å; Y45-K54 HydrophobicContact CE1-CB 3.98Å; Y45-K54 HydrophobicContact CE1-CD 4.19Å; D50-K54 WeakPolarHBondContact O-CB 3.44Å; D50-K54 WeakPolarHBondContact O-CG 3.25Å; D50-K54 PolarHBondContact O-N 3.31Å; D50-K54 WeakPolarHBondContact OD1-CE 3.48Å; D50-K54 IonicContact OD1-NZ 2.74Å; D50-K54 PolarHBondContact OD1-NZ 3.3Å; D50-K54 IonicContact OD2-NZ 2.67Å; D50-K54 PolarHBondContact OD2-NZ 3.32Å; C51-K54 PolarHBondContact O-N 2.95Å; K54-R57 PolarHBondContact O-N 3.29Å; K54-D58 WeakPolarHBondContact O-CB 3.4Å; K54-D58 PolarHBondContact O-N 2.86Å
55	V	91.8	Very high	91.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-46.8	176	171.4	0	0	0	0	110.5	L30 C51 M52 I53 R57 E59 G60 L64	L30-V55 HydrophobicContact CD2-CG1 4.15Å; L30-V55 HydrophobicContact CD2-CG2 3.96Å; C51-V55 WeakPolarHBondContact O-CB 3.04Å; C51-V55 VanDerWaalsContact O-CG2 3.24Å; C51-V55 WeakPolarHBondContact O-CG2 3.47Å; C51-V55 PolarHBondContact O-N 3.5Å; M52-V55 PolarHBondContact O-N 3.46Å; I53-V55 PolarHBondContact O-N 3.04Å; V55-R57 VanDerWaalsContact C-N 3.31Å; V55-R57 PolarHBondContact O-N 2.89Å; V55-E59 HydrophobicContact CG1-CB 4.47Å; V55-E59 WeakPolarHBondContact O-CA 3.32Å; V55-E59 WeakPolarHBondContact O-CB 3.4Å; V55-E59 PolarHBondContact O-N 2.77Å; V55-G60 PolarHBondContact O-N 3.06Å; V55-L64 HydrophobicContact CB-CD2 4.26Å; V55-L64 HydrophobicContact CG1-CD2 3.92Å; V55-L64 HydrophobicContact CG1-CG 4.39Å
56	C	91.9	Very high	91.1	Very high	38 Å²	38	60.3 Å²	60.3	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-39	177.8	-70.5	0	0	0	0	112.6	M52 I53 G60 V61	M52-C56 WeakPolarHBondContact O-CB 3.41Å; M52-C56 PolarHBondContact O-N 3.11Å; M52-C56 PolarHBondContact O-SG 2.87Å; I53-C56 PolarHBondContact O-N 3.42Å; C56-G60 CarbonylContact O-C 3.51Å; C56-G60 WeakPolarHBondContact O-CA 3.31Å; C56-G60 PolarHBondContact O-N 2.97Å; C56-V61 HydrophobicContact CB-CG2 4.36Å
57	R	90.4	Very high	91.1	Very high	184 Å²	184	50.3 Å²	50.3	69%	0.694	27%	0.266	S	S	*	.	H	α-helix	trans	-75.4	-45.3	-179	-171.1	-170.4	69	176.5	3.2	112.8	I53 K54 V55	I53-R57 VanDerWaalsContact O-CB 3.31Å; I53-R57 WeakPolarHBondContact O-CB 3.38Å; I53-R57 PolarHBondContact O-N 2.85Å; K54-R57 PolarHBondContact O-N 3.29Å; V55-R57 VanDerWaalsContact C-N 3.31Å; V55-R57 PolarHBondContact O-N 2.89Å
58	D	89.5	Confident	91	Very high	69 Å²	69	49.3 Å²	49.3	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-90.9	-31.1	-170.5	-55.4	-14.3	0	0	0	112.1	R44 K54	R44-D58 IonicContact CZ-OD2 3.11Å; R44-D58 IonicContact NH2-OD2 3.65Å; R44-D58 PolarHBondContact NH2-OD2 3.48Å; K54-D58 WeakPolarHBondContact O-CB 3.4Å; K54-D58 PolarHBondContact O-N 2.86Å
59	E	88.9	Confident	90.9	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.065	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-10.3	-175.6	-52.7	-179.3	-151	0	0	113.2	R34 V55 S63 K66 S138	R34-E59 IonicContact CZ-OE1 2.83Å; R34-E59 IonicContact NE-OE1 2.79Å; R34-E59 VanDerWaalsContact NH2-CD 3.33Å; R34-E59 IonicContact NH2-OE1 2.7Å; R34-E59 PolarHBondContact NH2-OE1 3.35Å; R34-E59 IonicContact NH2-OE2 3.18Å; R34-E59 PolarHBondContact NH2-OE2 2.86Å; V55-E59 HydrophobicContact CG1-CB 4.47Å; V55-E59 WeakPolarHBondContact O-CA 3.32Å; V55-E59 WeakPolarHBondContact O-CB 3.4Å; V55-E59 PolarHBondContact O-N 2.77Å; E59-S63 WeakPolarHBondContact CB-OG 3.11Å; E59-S63 PolarHBondContact O-OG 3.38Å; E59-K66 IonicContact OE2-NZ 2.71Å; E59-K66 PolarHBondContact OE2-NZ 3.32Å; E59-S138 PolarHBondContact O-OG 3.43Å
60	G	87.8	Confident	90.9	Very high	28 Å²	28	48 Å²	48	29%	0.289	25%	0.245	S	C	.	.			trans	91.3	155.9	-175	0	0	0	0	0	114.1	V55 C56 L62 S63	V55-G60 PolarHBondContact O-N 3.06Å; C56-G60 CarbonylContact O-C 3.51Å; C56-G60 WeakPolarHBondContact O-CA 3.31Å; C56-G60 PolarHBondContact O-N 2.97Å; G60-L62 VanDerWaalsContact C-N 3.33Å; G60-L62 PolarHBondContact O-N 3.42Å; G60-S63 WeakPolarHBondContact O-CB 3.43Å; G60-S63 PolarHBondContact O-N 3.41Å
61	V	88.8	Confident	90.7	Very high	99 Å²	99	46.8 Å²	46.8	60%	0.6	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-59.9	-40.6	-174.3	179.9	0	0	0	0	112.6	C56 S63 L64	C56-V61 HydrophobicContact CB-CG2 4.36Å; V61-S63 PolarHBondContact O-N 2.89Å; V61-S63 VanDerWaalsContact O-N 3.15Å; V61-L64 PolarHBondContact O-N 3.05Å
62	L	90.8	Very high	90.6	Very high	104 Å²	104	48.8 Å²	48.8	55%	0.545	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-66.5	-16.3	179.3	-60.4	177.1	0	0	0	112.6	G60 L64 Y65 I139	G60-L62 VanDerWaalsContact C-N 3.33Å; G60-L62 PolarHBondContact O-N 3.42Å; L62-L64 PolarHBondContact O-N 3.03Å; L62-Y65 WeakPolarHBondContact O-CB 3.25Å; L62-Y65 PolarHBondContact O-N 2.98Å; L62-I139 HydrophobicContact CB-CG2 3.53Å; L62-I139 HydrophobicContact CD1-CG2 4.49Å; L62-I139 VanDerWaalsContact O-CD1 3.3Å; L62-I139 WeakPolarHBondContact O-CD1 3.37Å
63	S	90.2	Very high	90.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-67.7	-17.1	178	-69.4	0	0	0	0	113.5	L30 E59 G60 V61 Y65 K66	L30-S63 WeakPolarHBondContact CD1-O 3.07Å; E59-S63 WeakPolarHBondContact CB-OG 3.11Å; E59-S63 PolarHBondContact O-OG 3.38Å; G60-S63 WeakPolarHBondContact O-CB 3.43Å; G60-S63 PolarHBondContact O-N 3.41Å; V61-S63 PolarHBondContact O-N 2.89Å; V61-S63 VanDerWaalsContact O-N 3.15Å; S63-Y65 PolarHBondContact O-N 3.26Å; S63-K66 VanDerWaalsContact O-CG 3.3Å; S63-K66 WeakPolarHBondContact O-CG 3.24Å; S63-K66 PolarHBondContact O-N 3.42Å; S63-K66 VanDerWaalsContact OG-CE 3.31Å; S63-K66 WeakPolarHBondContact OG-CE 3.25Å
64	L	90.8	Very high	90.3	Very high	20 Å²	20	45.2 Å²	45.2	11%	0.105	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-60.2	-21.6	169	-68.6	175.5	0	0	0	112.9	P27 L30 M52 V55 V61 L62	P27-L64 HydrophobicContact CB-CB 4.25Å; P27-L64 HydrophobicContact CB-CD1 4.39Å; P27-L64 HydrophobicContact CB-CD2 4.42Å; P27-L64 HydrophobicContact CG-CB 4.3Å; L30-L64 HydrophobicContact CD2-CD2 4.37Å; M52-L64 HydrophobicContact CG-CD2 4.41Å; V55-L64 HydrophobicContact CB-CD2 4.26Å; V55-L64 HydrophobicContact CG1-CD2 3.92Å; V55-L64 HydrophobicContact CG1-CG 4.39Å; V61-L64 PolarHBondContact O-N 3.05Å; L62-L64 PolarHBondContact O-N 3.03Å
65	Y	91.6	Very high	90	Very high	90 Å²	90	44 Å²	44	35%	0.353	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-98.8	7.4	-177.2	-65.5	-68.7	0	0	0	114.3	C23 Q26 P27 L62 S63 G67 M68	C23-Y65 VanDerWaalsContact O-CE1 3.32Å; C23-Y65 WeakPolarHBondContact O-CE1 3.32Å; Q26-Y65 HydrophobicContact CB-CD1 3.89Å; Q26-Y65 HydrophobicContact CB-CE1 4.28Å; Q26-Y65 HydrophobicContact CG-CD1 3.99Å; P27-Y65 HydrophobicContact CG-CE1 4.23Å; L62-Y65 WeakPolarHBondContact O-CB 3.25Å; L62-Y65 PolarHBondContact O-N 2.98Å; S63-Y65 PolarHBondContact O-N 3.26Å; Y65-G67 PolarHBondContact O-N 3.29Å; Y65-M68 HydrophobicContact CD1-CE 3.07Å; Y65-M68 HydrophobicContact CE1-CE 3.75Å; Y65-M68 HydrophobicContact CG-CE 3.82Å; Y65-M68 WeakPolarHBondContact O-CB 3.44Å; Y65-M68 PolarHBondContact O-N 3.34Å
66	K	88	Confident	89.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	135.6	177	-73.3	178.9	174.5	171.1	0	111.7	Q26 L30 E59 S63 M68 Q132 V137 I139	Q26-K66 PolarHBondContact NE2-O 3.47Å; L30-K66 HydrophobicContact CD1-CB 4.06Å; E59-K66 IonicContact OE2-NZ 2.71Å; E59-K66 PolarHBondContact OE2-NZ 3.32Å; S63-K66 VanDerWaalsContact O-CG 3.3Å; S63-K66 WeakPolarHBondContact O-CG 3.24Å; S63-K66 PolarHBondContact O-N 3.42Å; S63-K66 VanDerWaalsContact OG-CE 3.31Å; S63-K66 WeakPolarHBondContact OG-CE 3.25Å; K66-M68 VanDerWaalsContact C-N 3.35Å; K66-M68 PolarHBondContact O-N 2.89Å; K66-Q132 WeakPolarHBondContact O-CG 3.49Å; K66-Q132 PolarHBondContact O-NE2 3.38Å; K66-V137 WeakPolarHBondContact CE-O 3.44Å; K66-V137 PolarHBondContact NZ-O 3.38Å; K66-I139 HydrophobicContact CG-CB 4.04Å; K66-I139 HydrophobicContact CG-CD1 4.16Å; K66-I139 HydrophobicContact CG-CG1 4.01Å
67	G	86.8	Confident	89.6	Confident	8 Å²	8	48.3 Å²	48.3	8%	0.082	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	29.5	179.2	0	0	0	0	0	114.5	Q26 Y65 P70 P71	Q26-G67 VanDerWaalsContact NE2-C 3.29Å; Q26-G67 PolarHBondContact NE2-O 2.92Å; Y65-G67 PolarHBondContact O-N 3.29Å; G67-P70 WeakPolarHBondContact O-CD 3.21Å; G67-P71 WeakPolarHBondContact O-CD 3.49Å
68	M	90.7	Very high	89.6	Confident	36 Å²	36	42.2 Å²	42.2	18%	0.177	23%	0.232	C	C	.	.			trans	-72.3	-33.6	175.2	-171.8	-163.1	-72.4	0	0	112.8	V22 C23 Q26 Y65 K66 P71 I72	V22-M68 HydrophobicContact CG1-CG 3.81Å; C23-M68 VanDerWaalsContact SG-SD 3.68Å; Q26-M68 HydrophobicContact CB-CE 4.17Å; Q26-M68 HydrophobicContact CG-CB 4.06Å; Q26-M68 HydrophobicContact CG-CE 4.2Å; Q26-M68 HydrophobicContact CG-CG 4.22Å; Y65-M68 HydrophobicContact CD1-CE 3.07Å; Y65-M68 HydrophobicContact CE1-CE 3.75Å; Y65-M68 HydrophobicContact CG-CE 3.82Å; Y65-M68 WeakPolarHBondContact O-CB 3.44Å; Y65-M68 PolarHBondContact O-N 3.34Å; K66-M68 VanDerWaalsContact C-N 3.35Å; K66-M68 PolarHBondContact O-N 2.89Å; M68-P71 VanDerWaalsContact O-CD 3.23Å; M68-P71 WeakPolarHBondContact O-CD 3.37Å; M68-I72 HydrophobicContact CG-CD1 3.66Å; M68-I72 HydrophobicContact CG-CG1 4.26Å; M68-I72 WeakPolarHBondContact O-CG1 3.35Å; M68-I72 PolarHBondContact O-N 3.47Å; M68-I72 HydrophobicContact SD-CD1 3.7Å
69	L	91.2	Very high	89.4	Confident	74 Å²	74	42.2 Å²	42.2	39%	0.387	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-45.6	-174	-172.3	69.4	0	0	0	113.6	I72 L73 F146	L69-I72 PolarHBondContact O-N 2.92Å; L69-L73 HydrophobicContact CD1-CD1 4.4Å; L69-L73 HydrophobicContact CD1-CG 4.31Å; L69-L73 HydrophobicContact CD2-CD1 4.4Å; L69-L73 HydrophobicContact CG-CD1 3.95Å; L69-L73 HydrophobicContact CG-CG 4.26Å; L69-L73 WeakPolarHBondContact O-CG 3.14Å; L69-L73 PolarHBondContact O-N 2.85Å; L69-F146 HydrophobicContact CD2-CE2 4.49Å
70	P	91.9	Very high	89.4	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.019	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-44.1	179.8	-18.2	29.1	0	0	0	114	G67 I72 L73 A74 F124 V127 K128 L131	G67-P70 WeakPolarHBondContact O-CD 3.21Å; P70-I72 PolarHBondContact O-N 2.97Å; P70-L73 PolarHBondContact O-N 3.33Å; P70-A74 VanDerWaalsContact O-CB 3.23Å; P70-A74 WeakPolarHBondContact O-CB 3.22Å; P70-A74 PolarHBondContact O-N 2.87Å; P70-F124 HydrophobicContact CB-CB 4.19Å; P70-F124 VanDerWaalsContact CB-O 3.31Å; P70-F124 WeakPolarHBondContact CB-O 3.31Å; P70-V127 HydrophobicContact CG-CB 4.32Å; P70-V127 HydrophobicContact CG-CG1 3.89Å; P70-K128 HydrophobicContact CB-CB 4.23Å; P70-K128 HydrophobicContact CG-CB 4.41Å; P70-L131 HydrophobicContact CG-CD1 4.25Å
71	P	90.5	Very high	89.6	Confident	11 Å²	11	44.5 Å²	44.5	7%	0.071	24%	0.242	C	C	.	.	H	α-helix	trans	-54.1	-46.2	169.5	-29.6	34.3	0	0	0	114.6	V22 G67 M68 L73 A74 E75 K128	V22-P71 HydrophobicContact CG1-CB 4Å; V22-P71 HydrophobicContact CG2-CB 4.37Å; G67-P71 WeakPolarHBondContact O-CD 3.49Å; M68-P71 VanDerWaalsContact O-CD 3.23Å; M68-P71 WeakPolarHBondContact O-CD 3.37Å; P71-L73 VanDerWaalsContact C-N 3.34Å; P71-L73 PolarHBondContact O-N 2.72Å; P71-A74 PolarHBondContact O-N 3.39Å; P71-E75 WeakPolarHBondContact O-CB 3.41Å; P71-E75 PolarHBondContact O-N 3.31Å; P71-K128 HydrophobicContact CG-CD 3.67Å; P71-K128 HydrophobicContact CG-CG 3.99Å
72	I	90.7	Very high	89.6	Confident	42 Å²	42	41.8 Å²	41.8	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-47.3	179.2	-67.6	169.2	0	0	0	110.4	F19 V22 M68 L69 P70 A74 E75	F19-I72 HydrophobicContact CD2-CD1 3.85Å; F19-I72 HydrophobicContact CD2-CG1 4.21Å; F19-I72 HydrophobicContact CD2-CG2 4.03Å; F19-I72 HydrophobicContact CE2-CD1 3.81Å; V22-I72 HydrophobicContact CB-CG1 4.26Å; V22-I72 HydrophobicContact CG1-CD1 4.44Å; V22-I72 HydrophobicContact CG1-CG1 3.76Å; M68-I72 HydrophobicContact CG-CD1 3.66Å; M68-I72 HydrophobicContact CG-CG1 4.26Å; M68-I72 WeakPolarHBondContact O-CG1 3.35Å; M68-I72 PolarHBondContact O-N 3.47Å; M68-I72 HydrophobicContact SD-CD1 3.7Å; L69-I72 PolarHBondContact O-N 2.92Å; P70-I72 PolarHBondContact O-N 2.97Å; I72-A74 VanDerWaalsContact C-N 3.31Å; I72-A74 PolarHBondContact O-N 3.11Å; I72-E75 PolarHBondContact O-N 3.03Å
73	L	91.1	Very high	89.3	Confident	80 Å²	80	43.2 Å²	43.2	42%	0.419	23%	0.225	S	C	.	.	H	α-helix	trans	-67.2	-32.9	179.6	-65.8	176.7	0	0	0	112.5	L69 P70 P71 P77 F124	L69-L73 HydrophobicContact CD1-CD1 4.4Å; L69-L73 HydrophobicContact CD1-CG 4.31Å; L69-L73 HydrophobicContact CD2-CD1 4.4Å; L69-L73 HydrophobicContact CG-CD1 3.95Å; L69-L73 HydrophobicContact CG-CG 4.26Å; L69-L73 WeakPolarHBondContact O-CG 3.14Å; L69-L73 PolarHBondContact O-N 2.85Å; P70-L73 PolarHBondContact O-N 3.33Å; P71-L73 VanDerWaalsContact C-N 3.34Å; P71-L73 PolarHBondContact O-N 2.72Å; L73-P77 WeakPolarHBondContact O-CD 3.4Å; L73-P77 WeakPolarHBondContact O-CG 3.35Å; L73-F124 HydrophobicContact CB-CD1 4.21Å; L73-F124 HydrophobicContact CB-CE1 3.94Å
74	A	90.2	Very high	89.4	Confident	5 Å²	5	49.5 Å²	49.5	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-79.6	-23	-179.1	0	0	0	0	0	113.2	P70 P71 I72 T76 P77 K78 F124	P70-A74 VanDerWaalsContact O-CB 3.23Å; P70-A74 WeakPolarHBondContact O-CB 3.22Å; P70-A74 PolarHBondContact O-N 2.87Å; P71-A74 PolarHBondContact O-N 3.39Å; I72-A74 VanDerWaalsContact C-N 3.31Å; I72-A74 PolarHBondContact O-N 3.11Å; A74-T76 PolarHBondContact O-N 2.67Å; A74-P77 WeakPolarHBondContact O-CD 3.17Å; A74-K78 WeakPolarHBondContact O-CB 3.43Å; A74-K78 PolarHBondContact O-N 2.78Å; A74-F124 HydrophobicContact CB-CB 3.76Å; A74-F124 HydrophobicContact CB-CD1 4.27Å; A74-F124 HydrophobicContact CB-CD2 4.03Å; A74-F124 HydrophobicContact CB-CG 3.77Å
75	E	87.2	Confident	89.4	Confident	19 Å²	19	49.1 Å²	49.1	9%	0.089	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-42.9	-168.3	-168.6	63.3	-172.3	0	0	112.9	P71 I72 K78 R79	P71-E75 WeakPolarHBondContact O-CB 3.41Å; P71-E75 PolarHBondContact O-N 3.31Å; I72-E75 PolarHBondContact O-N 3.03Å; E75-K78 IonicContact OE2-NZ 3.24Å; E75-K78 PolarHBondContact OE2-NZ 2.92Å; E75-R79 WeakPolarHBondContact O-CB 3.46Å; E75-R79 WeakPolarHBondContact O-CG 3.34Å; E75-R79 PolarHBondContact O-N 2.8Å; E75-R79 IonicContact OE1-CZ 2.72Å; E75-R79 VanDerWaalsContact OE1-CZ 3.24Å; E75-R79 IonicContact OE1-NE 3.15Å; E75-R79 PolarHBondContact OE1-NE 2.92Å; E75-R79 IonicContact OE1-NH2 3.88Å; E75-R79 PolarHBondContact OE1-NH2 3.16Å
76	T	86.1	Confident	89.3	Confident	80 Å²	80	45.8 Å²	45.8	49%	0.491	24%	0.238	S	C	.	.	H	α-helix	trans	-66.9	-53.9	176.6	-59.2	0	0	0	0	112	A74 K78 R79 A80	A74-T76 PolarHBondContact O-N 2.67Å; T76-K78 VanDerWaalsContact C-N 3.31Å; T76-K78 PolarHBondContact O-N 3.05Å; T76-R79 PolarHBondContact O-N 3.11Å; T76-A80 WeakPolarHBondContact O-CB 3.45Å; T76-A80 PolarHBondContact O-N 3.39Å
77	P	89.4	Confident	89.4	Confident	48 Å²	48	50.1 Å²	50.1	31%	0.312	26%	0.258	S	S	.	.	H	α-helix	trans	-55.4	-44.7	175.2	-25.9	33	0	0	0	113	L73 A74 R79 A80 T81 V120	L73-P77 WeakPolarHBondContact O-CD 3.4Å; L73-P77 WeakPolarHBondContact O-CG 3.35Å; A74-P77 WeakPolarHBondContact O-CD 3.17Å; P77-R79 PolarHBondContact O-N 3.19Å; P77-A80 PolarHBondContact O-N 3.25Å; P77-T81 WeakPolarHBondContact O-CB 3.31Å; P77-T81 PolarHBondContact O-N 2.71Å; P77-T81 PolarHBondContact O-OG1 3.22Å; P77-T81 VanDerWaalsContact O-OG1 3.06Å; P77-V120 HydrophobicContact CB-CG1 3.88Å
78	K	90.1	Very high	89.7	Confident	56 Å²	56	54.1 Å²	54.1	24%	0.243	28%	0.275	C	S	.	.	H	α-helix	trans	-55.1	-50.9	178	174.4	177.9	159.6	-152.3	0	111.7	A74 E75 T76 K82 E117 V121	A74-K78 WeakPolarHBondContact O-CB 3.43Å; A74-K78 PolarHBondContact O-N 2.78Å; E75-K78 IonicContact OE2-NZ 3.24Å; E75-K78 PolarHBondContact OE2-NZ 2.92Å; T76-K78 VanDerWaalsContact C-N 3.31Å; T76-K78 PolarHBondContact O-N 3.05Å; K78-K82 WeakPolarHBondContact O-CB 3.41Å; K78-K82 PolarHBondContact O-N 3.38Å; K78-E117 VanDerWaalsContact CE-OE1 3.26Å; K78-E117 WeakPolarHBondContact CE-OE1 3.49Å; K78-E117 HydrophobicContact CG-CG 3.86Å; K78-E117 VanDerWaalsContact CG-OE1 3.22Å; K78-E117 WeakPolarHBondContact CG-OE1 3.49Å; K78-V121 HydrophobicContact CB-CG2 3.61Å; K78-V121 HydrophobicContact CD-CG2 4.13Å; K78-V121 HydrophobicContact CG-CG2 3.78Å
79	R	85.9	Confident	89.8	Confident	69 Å²	69	55.2 Å²	55.2	26%	0.26	28%	0.277	S	S	.	.	H	α-helix	trans	-66.8	-43.6	-179.8	-73	178.6	-178.3	-126.6	0.2	111.8	E75 T76 P77 K82 F83	E75-R79 WeakPolarHBondContact O-CB 3.46Å; E75-R79 WeakPolarHBondContact O-CG 3.34Å; E75-R79 PolarHBondContact O-N 2.8Å; E75-R79 IonicContact OE1-CZ 2.72Å; E75-R79 VanDerWaalsContact OE1-CZ 3.24Å; E75-R79 IonicContact OE1-NE 3.15Å; E75-R79 PolarHBondContact OE1-NE 2.92Å; E75-R79 IonicContact OE1-NH2 3.88Å; E75-R79 PolarHBondContact OE1-NH2 3.16Å; T76-R79 PolarHBondContact O-N 3.11Å; P77-R79 PolarHBondContact O-N 3.19Å; R79-K82 PolarHBondContact O-N 2.86Å; R79-F83 HydrophobicContact CB-CD2 4.42Å; R79-F83 HydrophobicContact CB-CE2 4.46Å; R79-F83 WeakPolarHBondContact O-CD2 2.94Å; R79-F83 PolarHBondContact O-N 2.97Å
80	A	88.7	Confident	89.6	Confident	60 Å²	60	54.1 Å²	54.1	50%	0.496	27%	0.27	S	S	.	.	H	α-helix	trans	-58.5	-51.3	178.1	0	0	0	0	0	111.2	T76 P77 K82 F84	T76-A80 WeakPolarHBondContact O-CB 3.45Å; T76-A80 PolarHBondContact O-N 3.39Å; P77-A80 PolarHBondContact O-N 3.25Å; A80-K82 VanDerWaalsContact C-N 3.33Å; A80-K82 PolarHBondContact O-N 2.89Å; A80-F84 WeakPolarHBondContact O-CB 3.25Å; A80-F84 PolarHBondContact O-N 3.01Å
81	T	90.9	Very high	89.6	Confident	30 Å²	30	56.6 Å²	56.6	18%	0.184	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-43.4	176.6	-58	0	0	0	0	111.3	P77 T85 T116 V120	P77-T81 WeakPolarHBondContact O-CB 3.31Å; P77-T81 PolarHBondContact O-N 2.71Å; P77-T81 PolarHBondContact O-OG1 3.22Å; P77-T81 VanDerWaalsContact O-OG1 3.06Å; T81-T85 HydrophobicContact CG2-CG2 4Å; T81-T85 VanDerWaalsContact O-CB 3.29Å; T81-T85 WeakPolarHBondContact O-CB 3.26Å; T81-T85 VanDerWaalsContact O-CG2 3.23Å; T81-T85 WeakPolarHBondContact O-CG2 3.28Å; T81-T85 PolarHBondContact O-N 2.99Å; T81-T85 PolarHBondContact O-OG1 3.1Å; T81-T116 HydrophobicContact CG2-CG2 4.34Å; T81-V120 HydrophobicContact CG2-CG2 4.16Å
82	K	88.7	Confident	89.7	Confident	43 Å²	43	59.9 Å²	59.9	19%	0.187	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-56.7	-180	-173.8	-179.4	-174.8	168	0	112	K78 R79 A80 F84 T85 F86 C113 N178	K78-K82 WeakPolarHBondContact O-CB 3.41Å; K78-K82 PolarHBondContact O-N 3.38Å; R79-K82 PolarHBondContact O-N 2.86Å; A80-K82 VanDerWaalsContact C-N 3.33Å; A80-K82 PolarHBondContact O-N 2.89Å; K82-F84 PolarHBondContact O-N 3.42Å; K82-T85 PolarHBondContact O-OG1 3.33Å; K82-F86 WeakPolarHBondContact O-CB 3.19Å; K82-F86 PolarHBondContact O-N 2.91Å; K82-C113 VanDerWaalsContact CG-SG 3.53Å; K82-C113 PolarHBondContact O-SG 2.9Å; K82-N178 WeakPolarHBondContact CE-OD1 3.35Å; K82-N178 PolarHBondContact NZ-OD1 2.99Å
83	F	86	Confident	89.7	Confident	134 Å²	134	59.3 Å²	59.3	59%	0.588	30%	0.303	S	S	*	.	H	α-helix	trans	-63.2	-44	-178.2	-77	-67.6	0	0	0	111.8	R79 E87	R79-F83 HydrophobicContact CB-CD2 4.42Å; R79-F83 HydrophobicContact CB-CE2 4.46Å; R79-F83 WeakPolarHBondContact O-CD2 2.94Å; R79-F83 PolarHBondContact O-N 2.97Å; F83-E87 WeakPolarHBondContact O-CG 3.37Å; F83-E87 PolarHBondContact O-N 3.3Å; F83-E87 VanDerWaalsContact O-N 3.09Å
84	F	90.9	Very high	89.5	Confident	132 Å²	132	57.5 Å²	57.5	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-59.6	-56	178.2	178.5	-99.8	0	0	0	111.3	A80 K82 F86 E87 Q88	A80-F84 WeakPolarHBondContact O-CB 3.25Å; A80-F84 PolarHBondContact O-N 3.01Å; K82-F84 PolarHBondContact O-N 3.42Å; F84-F86 VanDerWaalsContact C-N 3.32Å; F84-F86 PolarHBondContact O-N 3.4Å; F84-E87 PolarHBondContact O-N 3.35Å; F84-Q88 HydrophobicContact CE1-CG 4.16Å; F84-Q88 HydrophobicContact CE2-CG 4.37Å; F84-Q88 HydrophobicContact CZ-CG 4.09Å; F84-Q88 WeakPolarHBondContact O-CG 3.36Å; F84-Q88 PolarHBondContact O-N 2.92Å; F84-Q88 VanDerWaalsContact O-N 3.16Å
85	T	91.7	Very high	89.5	Confident	12 Å²	12	64.4 Å²	64.4	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-66.3	-35.1	-176.7	57.5	0	0	0	0	112.2	T81 K82 Q88 Y89 C113 T116	T81-T85 HydrophobicContact CG2-CG2 4Å; T81-T85 VanDerWaalsContact O-CB 3.29Å; T81-T85 WeakPolarHBondContact O-CB 3.26Å; T81-T85 VanDerWaalsContact O-CG2 3.23Å; T81-T85 WeakPolarHBondContact O-CG2 3.28Å; T81-T85 PolarHBondContact O-N 2.99Å; T81-T85 PolarHBondContact O-OG1 3.1Å; K82-T85 PolarHBondContact O-OG1 3.33Å; T85-Q88 PolarHBondContact O-N 3.45Å; T85-Y89 HydrophobicContact CG2-CE2 4.48Å; T85-Y89 WeakPolarHBondContact O-CB 3.18Å; T85-Y89 WeakPolarHBondContact O-CD2 3.44Å; T85-Y89 VanDerWaalsContact O-CG 3.3Å; T85-Y89 PolarHBondContact O-N 2.95Å; T85-C113 PolarHBondContact OG1-SG 2.92Å; T85-T116 HydrophobicContact CG2-CG2 3.72Å
86	F	89.9	Confident	89.7	Confident	20 Å²	20	70 Å²	70	9%	0.088	35%	0.35	C	S	.	.	H	α-helix	trans	-62.1	-47.7	176.5	-176.1	-100.7	0	0	0	111.8	K82 F84 Q88 Y89 K90 A109 C113 F182	K82-F86 WeakPolarHBondContact O-CB 3.19Å; K82-F86 PolarHBondContact O-N 2.91Å; F84-F86 VanDerWaalsContact C-N 3.32Å; F84-F86 PolarHBondContact O-N 3.4Å; F86-Q88 VanDerWaalsContact C-N 3.33Å; F86-Q88 PolarHBondContact O-N 3.45Å; F86-Y89 PolarHBondContact O-N 2.96Å; F86-K90 HydrophobicContact CE1-CD 4.15Å; F86-K90 WeakPolarHBondContact O-CB 3.16Å; F86-K90 PolarHBondContact O-N 3.26Å; F86-A109 HydrophobicContact CD2-CB 4.4Å; F86-A109 HydrophobicContact CE2-CB 4.23Å; F86-C113 HydrophobicContact CB-CB 4.24Å; F86-C113 HydrophobicContact CD2-CB 4.34Å; F86-F182 HydrophobicContact CD2-CE2 4.11Å; F86-F182 HydrophobicContact CD2-CZ 4.25Å; F86-F182 HydrophobicContact CE2-CD1 4.19Å; F86-F182 AromaticContact CE2-CD2 3.94Å; F86-F182 HydrophobicContact CE2-CD2 3.94Å; F86-F182 HydrophobicContact CE2-CE1 4.09Å; F86-F182 AromaticContact CE2-CE2 3.84Å; F86-F182 HydrophobicContact CE2-CE2 3.84Å; F86-F182 HydrophobicContact CE2-CG 4.13Å; F86-F182 AromaticContact CE2-CZ 3.91Å; F86-F182 HydrophobicContact CE2-CZ 3.91Å; F86-F182 HydrophobicContact CZ-CD1 4.07Å; F86-F182 AromaticContact CZ-CE1 3.92Å; F86-F182 HydrophobicContact CZ-CE1 3.92Å; F86-F182 HydrophobicContact CZ-CE2 4.49Å; F86-F182 HydrophobicContact CZ-CG 4.43Å; F86-F182 HydrophobicContact CZ-CZ 4.14Å
87	E	88.2	Confident	89.8	Confident	90 Å²	90	69.5 Å²	69.5	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-41.1	178.5	-71.6	-58.6	121.9	0	0	111.7	F83 F84 K90 A91	F83-E87 WeakPolarHBondContact O-CG 3.37Å; F83-E87 PolarHBondContact O-N 3.3Å; F83-E87 VanDerWaalsContact O-N 3.09Å; F84-E87 PolarHBondContact O-N 3.35Å; E87-K90 IonicContact OE1-NZ 2.66Å; E87-K90 PolarHBondContact OE1-NZ 3.01Å; E87-K90 WeakPolarHBondContact OE2-CE 3.22Å; E87-K90 IonicContact OE2-NZ 2.94Å; E87-K90 PolarHBondContact OE2-NZ 3.36Å; E87-A91 WeakPolarHBondContact O-CB 3.47Å; E87-A91 PolarHBondContact O-N 3.23Å
88	Q	93.3	Very high	89.6	Confident	93 Å²	93	72.8 Å²	72.8	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-66.3	-49.3	177.1	-60.3	-56.5	-11.4	0	0	112.3	F84 T85 F86 K90 A91 I92	F84-Q88 HydrophobicContact CE1-CG 4.16Å; F84-Q88 HydrophobicContact CE2-CG 4.37Å; F84-Q88 HydrophobicContact CZ-CG 4.09Å; F84-Q88 WeakPolarHBondContact O-CG 3.36Å; F84-Q88 PolarHBondContact O-N 2.92Å; F84-Q88 VanDerWaalsContact O-N 3.16Å; T85-Q88 PolarHBondContact O-N 3.45Å; F86-Q88 VanDerWaalsContact C-N 3.33Å; F86-Q88 PolarHBondContact O-N 3.45Å; Q88-K90 VanDerWaalsContact C-N 3.32Å; Q88-K90 PolarHBondContact O-N 3.32Å; Q88-A91 PolarHBondContact O-N 3.27Å; Q88-I92 VanDerWaalsContact O-CG1 3.24Å; Q88-I92 WeakPolarHBondContact O-CG1 3.18Å; Q88-I92 PolarHBondContact O-N 3.02Å
89	Y	92.7	Very high	89.4	Confident	58 Å²	58	77 Å²	77	23%	0.227	38%	0.377	C	S	.	.	H	α-helix	trans	-63.8	-40.4	178.9	-66.8	-45.1	0	0	0	111.6	T85 F86 I92 F93 L112 C113 T116	T85-Y89 HydrophobicContact CG2-CE2 4.48Å; T85-Y89 WeakPolarHBondContact O-CB 3.18Å; T85-Y89 WeakPolarHBondContact O-CD2 3.44Å; T85-Y89 VanDerWaalsContact O-CG 3.3Å; T85-Y89 PolarHBondContact O-N 2.95Å; F86-Y89 PolarHBondContact O-N 2.96Å; Y89-I92 PolarHBondContact O-N 3.41Å; Y89-F93 WeakPolarHBondContact O-CB 3.48Å; Y89-F93 WeakPolarHBondContact O-CD2 3.41Å; Y89-F93 PolarHBondContact O-N 3.45Å; Y89-L112 HydrophobicContact CD1-CB 4.38Å; Y89-L112 HydrophobicContact CD1-CD1 4.16Å; Y89-L112 HydrophobicContact CD2-CB 3.69Å; Y89-L112 HydrophobicContact CE1-CB 4.36Å; Y89-L112 HydrophobicContact CE1-CD1 4.29Å; Y89-L112 HydrophobicContact CE2-CB 3.65Å; Y89-L112 HydrophobicContact CG-CB 4.09Å; Y89-L112 HydrophobicContact CG-CD1 4.47Å; Y89-C113 HydrophobicContact CD2-CB 4.19Å; Y89-T116 PolarHBondContact OH-OG1 3.34Å
90	K	88.6	Confident	89.5	Confident	51 Å²	51	78.3 Å²	78.3	22%	0.222	38%	0.382	C	S	.	.	H	α-helix	trans	-58.3	-49.5	174.3	-176.2	-174.9	70.8	-170.8	0	110.9	F86 E87 Q88 I92 F93 T94 F106 A109	F86-K90 HydrophobicContact CE1-CD 4.15Å; F86-K90 WeakPolarHBondContact O-CB 3.16Å; F86-K90 PolarHBondContact O-N 3.26Å; E87-K90 IonicContact OE1-NZ 2.66Å; E87-K90 PolarHBondContact OE1-NZ 3.01Å; E87-K90 WeakPolarHBondContact OE2-CE 3.22Å; E87-K90 IonicContact OE2-NZ 2.94Å; E87-K90 PolarHBondContact OE2-NZ 3.36Å; Q88-K90 VanDerWaalsContact C-N 3.32Å; Q88-K90 PolarHBondContact O-N 3.32Å; K90-I92 PolarHBondContact O-N 3.3Å; K90-F93 PolarHBondContact O-N 3.18Å; K90-T94 WeakPolarHBondContact O-CB 3.23Å; K90-T94 PolarHBondContact O-N 3Å; K90-T94 PolarHBondContact O-OG1 3.48Å; K90-F106 HydrophobicContact CD-CD1 4.26Å; K90-F106 HydrophobicContact CD-CE1 3.71Å; K90-F106 HydrophobicContact CD-CZ 4.05Å; K90-F106 HydrophobicContact CG-CD1 3.98Å; K90-F106 HydrophobicContact CG-CE1 3.63Å; K90-F106 HydrophobicContact CG-CZ 4.45Å; K90-A109 HydrophobicContact CB-CB 4.37Å
91	A	90.7	Very high	89.3	Confident	55 Å²	55	79.5 Å²	79.5	46%	0.455	38%	0.384	S	S	.	.	H	α-helix	trans	-59.5	-45.1	178.3	0	0	0	0	0	112.2	E87 Q88 H95	E87-A91 WeakPolarHBondContact O-CB 3.47Å; E87-A91 PolarHBondContact O-N 3.23Å; Q88-A91 PolarHBondContact O-N 3.27Å; A91-H95 VanDerWaalsContact O-CB 3.3Å; A91-H95 WeakPolarHBondContact O-CB 3.22Å; A91-H95 PolarHBondContact O-N 3.15Å
92	I	92.6	Very high	89	Confident	81 Å²	81	81.4 Å²	81.4	42%	0.415	39%	0.391	S	S	.	.	H	α-helix	trans	-60.5	-52.5	177	-68.5	166	0	0	0	110.5	Q88 Y89 K90 T94 H95 F96	Q88-I92 VanDerWaalsContact O-CG1 3.24Å; Q88-I92 WeakPolarHBondContact O-CG1 3.18Å; Q88-I92 PolarHBondContact O-N 3.02Å; Y89-I92 PolarHBondContact O-N 3.41Å; K90-I92 PolarHBondContact O-N 3.3Å; I92-T94 PolarHBondContact O-N 3.32Å; I92-H95 PolarHBondContact O-N 3.24Å; I92-F96 HydrophobicContact CG2-CD2 3.76Å; I92-F96 HydrophobicContact CG2-CE2 4.03Å; I92-F96 VanDerWaalsContact O-CD2 3.25Å; I92-F96 WeakPolarHBondContact O-CD2 3.31Å; I92-F96 PolarHBondContact O-N 3.43Å
93	F	90.3	Very high	88.8	Confident	30 Å²	30	80.4 Å²	80.4	13%	0.132	39%	0.389	C	S	.	.	H	α-helix	trans	-66.2	-38.6	-177.8	-78.4	-65.8	0	0	0	112.6	Y89 K90 H95 F97 I105 L108 A109 L112	Y89-F93 WeakPolarHBondContact O-CB 3.48Å; Y89-F93 WeakPolarHBondContact O-CD2 3.41Å; Y89-F93 PolarHBondContact O-N 3.45Å; K90-F93 PolarHBondContact O-N 3.18Å; F93-H95 VanDerWaalsContact C-N 3.31Å; F93-H95 PolarHBondContact O-N 2.98Å; F93-F97 AromaticContact CD1-CD2 3.69Å; F93-F97 HydrophobicContact CD1-CD2 3.69Å; F93-F97 AromaticContact CD1-CE2 3.94Å; F93-F97 HydrophobicContact CD1-CE2 3.94Å; F93-F97 HydrophobicContact CE1-CD2 4.41Å; F93-F97 HydrophobicContact CE1-CE2 4.25Å; F93-F97 CarbonylContact O-C 3.47Å; F93-F97 VanDerWaalsContact O-CA 3.29Å; F93-F97 WeakPolarHBondContact O-CA 3.33Å; F93-F97 VanDerWaalsContact O-CB 3.31Å; F93-F97 WeakPolarHBondContact O-CB 2.95Å; F93-F97 PolarHBondContact O-N 3.28Å; F93-I105 HydrophobicContact CB-CB 4.46Å; F93-I105 HydrophobicContact CB-CG2 3.46Å; F93-I105 VanDerWaalsContact CB-CG2 3.46Å; F93-L108 HydrophobicContact CE1-CB 4.36Å; F93-L108 HydrophobicContact CE1-CD1 4.48Å; F93-L108 HydrophobicContact CE2-CB 4.08Å; F93-L108 HydrophobicContact CZ-CB 4Å; F93-A109 HydrophobicContact CD2-CB 4.05Å; F93-A109 HydrophobicContact CE2-CB 4.5Å; F93-L112 HydrophobicContact CE2-CD1 3.72Å; F93-L112 HydrophobicContact CE2-CG 4.49Å; F93-L112 HydrophobicContact CZ-CD1 3.7Å
94	T	88.4	Confident	88.9	Confident	42 Å²	42	76.9 Å²	76.9	26%	0.258	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-35.8	175.1	-59.7	0	0	0	0	111.5	K90 I92 N98	K90-T94 WeakPolarHBondContact O-CB 3.23Å; K90-T94 PolarHBondContact O-N 3Å; K90-T94 PolarHBondContact O-OG1 3.48Å; I92-T94 PolarHBondContact O-N 3.32Å; T94-N98 WeakPolarHBondContact O-CA 3.44Å; T94-N98 VanDerWaalsContact O-CB 3.23Å; T94-N98 WeakPolarHBondContact O-CB 3.44Å; T94-N98 PolarHBondContact O-N 2.84Å
95	H	90.5	Very high	88.8	Confident	149 Å²	149	70.6 Å²	70.6	69%	0.69	35%	0.351	S	S	*	.	H	α-helix	trans	-69.2	-50.4	177	-177.3	-89.5	0	0	0	112.4	A91 I92 F93	A91-H95 VanDerWaalsContact O-CB 3.3Å; A91-H95 WeakPolarHBondContact O-CB 3.22Å; A91-H95 PolarHBondContact O-N 3.15Å; I92-H95 PolarHBondContact O-N 3.24Å; F93-H95 VanDerWaalsContact C-N 3.31Å; F93-H95 PolarHBondContact O-N 2.98Å
96	F	90.5	Very high	88.7	Confident	138 Å²	138	71.5 Å²	71.5	61%	0.605	35%	0.354	S	S	*	.	H	α-helix	trans	-81.7	-30.2	-175.7	-71.9	-72.7	0	0	0	113.9	I92	I92-F96 HydrophobicContact CG2-CD2 3.76Å; I92-F96 HydrophobicContact CG2-CE2 4.03Å; I92-F96 VanDerWaalsContact O-CD2 3.25Å; I92-F96 WeakPolarHBondContact O-CD2 3.31Å; I92-F96 PolarHBondContact O-N 3.43Å
97	F	88.9	Confident	88.7	Confident	68 Å²	68	71.5 Å²	71.5	30%	0.298	36%	0.356	S	S	.	.			trans	-123.2	40.2	-173.7	-56.1	-87.3	0	0	0	111.7	F93 H99 W100 I105	F93-F97 AromaticContact CD1-CD2 3.69Å; F93-F97 HydrophobicContact CD1-CD2 3.69Å; F93-F97 AromaticContact CD1-CE2 3.94Å; F93-F97 HydrophobicContact CD1-CE2 3.94Å; F93-F97 HydrophobicContact CE1-CD2 4.41Å; F93-F97 HydrophobicContact CE1-CE2 4.25Å; F93-F97 CarbonylContact O-C 3.47Å; F93-F97 VanDerWaalsContact O-CA 3.29Å; F93-F97 WeakPolarHBondContact O-CA 3.33Å; F93-F97 VanDerWaalsContact O-CB 3.31Å; F93-F97 WeakPolarHBondContact O-CB 2.95Å; F93-F97 PolarHBondContact O-N 3.28Å; F97-H99 PolarHBondContact O-N 2.85Å; F97-W100 HydrophobicContact CB-CB 4.4Å; F97-W100 HydrophobicContact CB-CD2 4.03Å; F97-W100 HydrophobicContact CB-CE3 4.26Å; F97-W100 HydrophobicContact CB-CG 4.09Å; F97-W100 HydrophobicContact CD1-CD2 4.12Å; F97-W100 AromaticContact CD1-CE2 3.8Å; F97-W100 HydrophobicContact CD1-CE3 4.37Å; F97-W100 HydrophobicContact CD1-CH2 4.08Å; F97-W100 AromaticContact CD1-CZ2 3.8Å; F97-W100 HydrophobicContact CD1-CZ2 3.8Å; F97-W100 HydrophobicContact CD1-CZ3 4.35Å; F97-W100 HydrophobicContact CE1-CH2 4.2Å; F97-W100 HydrophobicContact CE1-CZ2 4.09Å; F97-W100 HydrophobicContact CG-CD2 4.36Å; F97-W100 HydrophobicContact CG-CE3 4.41Å; F97-W100 WeakPolarHBondContact O-CB 3.47Å; F97-W100 PolarHBondContact O-N 3.07Å; F97-I105 WeakPolarHBondContact O-CD1 3.22Å
98	N	83.9	Confident	88.9	Confident	117 Å²	117	69.2 Å²	69.2	63%	0.626	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.6	-178.6	-163	23.3	0	0	0	114.2	T94 W100	T94-N98 WeakPolarHBondContact O-CA 3.44Å; T94-N98 VanDerWaalsContact O-CB 3.23Å; T94-N98 WeakPolarHBondContact O-CB 3.44Å; T94-N98 PolarHBondContact O-N 2.84Å; N98-W100 VanDerWaalsContact C-N 3.32Å
99	H	86.8	Confident	88.9	Confident	146 Å²	146	64.8 Å²	64.8	68%	0.676	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.7	177.1	62.3	-72.2	0	0	0	113.5	F97	F97-H99 PolarHBondContact O-N 2.85Å
100	W	86.7	Confident	88.8	Confident	96 Å²	96	62 Å²	62	36%	0.364	32%	0.315	S	S	.	.	S	Bend	trans	-80.5	150.5	179.8	-73.5	10.5	0	0	0	111.7	F97 N98 Q102 V104 I105 L108	F97-W100 HydrophobicContact CB-CB 4.4Å; F97-W100 HydrophobicContact CB-CD2 4.03Å; F97-W100 HydrophobicContact CB-CE3 4.26Å; F97-W100 HydrophobicContact CB-CG 4.09Å; F97-W100 HydrophobicContact CD1-CD2 4.12Å; F97-W100 AromaticContact CD1-CE2 3.8Å; F97-W100 HydrophobicContact CD1-CE3 4.37Å; F97-W100 HydrophobicContact CD1-CH2 4.08Å; F97-W100 AromaticContact CD1-CZ2 3.8Å; F97-W100 HydrophobicContact CD1-CZ2 3.8Å; F97-W100 HydrophobicContact CD1-CZ3 4.35Å; F97-W100 HydrophobicContact CE1-CH2 4.2Å; F97-W100 HydrophobicContact CE1-CZ2 4.09Å; F97-W100 HydrophobicContact CG-CD2 4.36Å; F97-W100 HydrophobicContact CG-CE3 4.41Å; F97-W100 WeakPolarHBondContact O-CB 3.47Å; F97-W100 PolarHBondContact O-N 3.07Å; N98-W100 VanDerWaalsContact C-N 3.32Å; W100-Q102 PolarHBondContact O-N 3.32Å; W100-V104 HydrophobicContact CE3-CG1 3.9Å; W100-V104 HydrophobicContact CZ3-CG1 4.4Å; W100-I105 HydrophobicContact CB-CD1 4.24Å; W100-I105 HydrophobicContact CB-CG1 4.02Å; W100-L108 HydrophobicContact CE3-CD1 4.09Å; W100-L108 HydrophobicContact CZ3-CD1 3.55Å
101	P	85.8	Confident	89	Confident	85 Å²	85	62.8 Å²	62.8	55%	0.552	32%	0.32	S	S	*	.			trans	-57.3	133.8	173.7	-21.7	32.1	0	0	0	110.9	P103 V104 I105	P101-P103 VanDerWaalsContact C-N 3.28Å; P101-P103 VanDerWaalsContact O-N 3.15Å; P101-V104 HydrophobicContact CB-CG2 4.21Å; P101-V104 HydrophobicContact CG-CG2 4.33Å; P101-V104 WeakPolarHBondContact O-CB 3.4Å; P101-V104 PolarHBondContact O-N 3.35Å; P101-I105 PolarHBondContact O-N 3.06Å
102	Q	84.4	Confident	89.2	Confident	70 Å²	70	63.3 Å²	63.3	33%	0.327	32%	0.315	S	S	.	.	H	α-helix	trans	-48.7	-40.9	178.2	-73.2	-70.9	-6.5	0	0	113.9	W100 V104 I105 F106	W100-Q102 PolarHBondContact O-N 3.32Å; Q102-V104 VanDerWaalsContact C-N 3.27Å; Q102-V104 PolarHBondContact O-N 2.97Å; Q102-I105 PolarHBondContact O-N 3.43Å; Q102-F106 WeakPolarHBondContact O-CG 3.19Å; Q102-F106 PolarHBondContact O-N 3.27Å
103	P	85.2	Confident	89.2	Confident	21 Å²	21	59.4 Å²	59.4	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-33.7	176.9	-23.7	34.4	0	0	0	113.8	P101 S107 H186 S187	P101-P103 VanDerWaalsContact C-N 3.28Å; P101-P103 VanDerWaalsContact O-N 3.15Å; P103-S107 VanDerWaalsContact O-CB 3.31Å; P103-S107 WeakPolarHBondContact O-CB 3.12Å; P103-S107 PolarHBondContact O-N 3.39Å; P103-S107 PolarHBondContact O-OG 3.29Å; P103-H186 HydrophobicContact CB-CB 4.46Å; P103-S187 WeakPolarHBondContact CB-OG 3.24Å
104	V	88.1	Confident	89.3	Confident	60 Å²	60	58 Å²	58	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-70.3	-45.8	177.7	179.1	0	0	0	0	109.9	W100 P101 Q102 F106 S107 L108	W100-V104 HydrophobicContact CE3-CG1 3.9Å; W100-V104 HydrophobicContact CZ3-CG1 4.4Å; P101-V104 HydrophobicContact CB-CG2 4.21Å; P101-V104 HydrophobicContact CG-CG2 4.33Å; P101-V104 WeakPolarHBondContact O-CB 3.4Å; P101-V104 PolarHBondContact O-N 3.35Å; Q102-V104 VanDerWaalsContact C-N 3.27Å; Q102-V104 PolarHBondContact O-N 2.97Å; V104-F106 VanDerWaalsContact C-N 3.31Å; V104-F106 PolarHBondContact O-N 3.02Å; V104-S107 WeakPolarHBondContact O-CB 3.23Å; V104-S107 PolarHBondContact O-N 3.43Å; V104-L108 HydrophobicContact CG1-CD1 4.04Å; V104-L108 WeakPolarHBondContact O-CG 3.26Å; V104-L108 PolarHBondContact O-N 3.31Å
105	I	88.6	Confident	89.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-47.6	176.7	-65.3	171.3	0	0	0	110.2	F93 F97 W100 P101 Q102 S107 L108 A109	F93-I105 HydrophobicContact CB-CB 4.46Å; F93-I105 HydrophobicContact CB-CG2 3.46Å; F93-I105 VanDerWaalsContact CB-CG2 3.46Å; F97-I105 WeakPolarHBondContact O-CD1 3.22Å; W100-I105 HydrophobicContact CB-CD1 4.24Å; W100-I105 HydrophobicContact CB-CG1 4.02Å; P101-I105 PolarHBondContact O-N 3.06Å; Q102-I105 PolarHBondContact O-N 3.43Å; I105-S107 PolarHBondContact O-N 2.89Å; I105-L108 PolarHBondContact O-N 3.43Å; I105-A109 VanDerWaalsContact O-CB 3.3Å; I105-A109 WeakPolarHBondContact O-CB 3.34Å; I105-A109 PolarHBondContact O-N 2.93Å
106	F	88.4	Confident	89.7	Confident	31 Å²	31	51.6 Å²	51.6	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-72	-31	-178.4	-68.2	6.4	0	0	0	112.6	K90 Q102 V104 G110 H186	K90-F106 HydrophobicContact CD-CD1 4.26Å; K90-F106 HydrophobicContact CD-CE1 3.71Å; K90-F106 HydrophobicContact CD-CZ 4.05Å; K90-F106 HydrophobicContact CG-CD1 3.98Å; K90-F106 HydrophobicContact CG-CE1 3.63Å; K90-F106 HydrophobicContact CG-CZ 4.45Å; Q102-F106 WeakPolarHBondContact O-CG 3.19Å; Q102-F106 PolarHBondContact O-N 3.27Å; V104-F106 VanDerWaalsContact C-N 3.31Å; V104-F106 PolarHBondContact O-N 3.02Å; F106-G110 WeakPolarHBondContact O-CA 3.34Å; F106-G110 PolarHBondContact O-N 2.92Å; F106-H186 HydrophobicContact CD2-CB 4.35Å; F106-H186 AromaticContact CD2-CD2 3.6Å; F106-H186 AromaticContact CD2-CE1 3.38Å; F106-H186 WeakPolarHBondContact CD2-CE1 3.48Å; F106-H186 AromaticContact CD2-CG 3.53Å; F106-H186 AromaticContact CD2-ND1 3.4Å; F106-H186 WeakPolarHBondContact CD2-ND1 3.05Å; F106-H186 AromaticContact CD2-NE2 3.51Å; F106-H186 AromaticContact CE2-CE1 3.41Å; F106-H186 VanDerWaalsContact CE2-CE1 3.41Å; F106-H186 WeakPolarHBondContact CE2-CE1 3.32Å; F106-H186 AromaticContact CE2-ND1 3.52Å; F106-H186 AromaticContact CE2-NE2 3.98Å
107	S	90.8	Very high	89.9	Confident	20 Å²	20	45.4 Å²	45.4	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-46.1	172.8	-60.7	0	0	0	0	111.6	P103 V104 I105 G110 M111 G183	P103-S107 VanDerWaalsContact O-CB 3.31Å; P103-S107 WeakPolarHBondContact O-CB 3.12Å; P103-S107 PolarHBondContact O-N 3.39Å; P103-S107 PolarHBondContact O-OG 3.29Å; V104-S107 WeakPolarHBondContact O-CB 3.23Å; V104-S107 PolarHBondContact O-N 3.43Å; I105-S107 PolarHBondContact O-N 2.89Å; S107-G110 PolarHBondContact O-N 3.4Å; S107-M111 WeakPolarHBondContact O-CB 3.29Å; S107-M111 PolarHBondContact O-N 2.89Å; S107-G183 WeakPolarHBondContact OG-CA 3.34Å; S107-G183 PolarHBondContact OG-N 2.89Å
108	L	92.7	Very high	90.1	Very high	43 Å²	43	42.2 Å²	42.2	23%	0.225	22%	0.221	C	C	.	.	H	α-helix	trans	-70.4	-43	179.8	-68.3	173.1	0	0	0	111.8	F93 W100 V104 I105 G110 M111 L112	F93-L108 HydrophobicContact CE1-CB 4.36Å; F93-L108 HydrophobicContact CE1-CD1 4.48Å; F93-L108 HydrophobicContact CE2-CB 4.08Å; F93-L108 HydrophobicContact CZ-CB 4Å; W100-L108 HydrophobicContact CE3-CD1 4.09Å; W100-L108 HydrophobicContact CZ3-CD1 3.55Å; V104-L108 HydrophobicContact CG1-CD1 4.04Å; V104-L108 WeakPolarHBondContact O-CG 3.26Å; V104-L108 PolarHBondContact O-N 3.31Å; I105-L108 PolarHBondContact O-N 3.43Å; L108-G110 VanDerWaalsContact C-N 3.28Å; L108-G110 PolarHBondContact O-N 3.36Å; L108-M111 HydrophobicContact CD2-CE 3.96Å; L108-M111 WeakPolarHBondContact O-CB 3.35Å; L108-M111 PolarHBondContact O-N 3.17Å; L108-L112 PolarHBondContact O-N 2.73Å
109	A	91.5	Very high	90.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-43.9	171.8	0	0	0	0	0	110.9	F86 K90 F93 I105 C113	F86-A109 HydrophobicContact CD2-CB 4.4Å; F86-A109 HydrophobicContact CE2-CB 4.23Å; K90-A109 HydrophobicContact CB-CB 4.37Å; F93-A109 HydrophobicContact CD2-CB 4.05Å; F93-A109 HydrophobicContact CE2-CB 4.5Å; I105-A109 VanDerWaalsContact O-CB 3.3Å; I105-A109 WeakPolarHBondContact O-CB 3.34Å; I105-A109 PolarHBondContact O-N 2.93Å; A109-C113 WeakPolarHBondContact O-CB 3.47Å; A109-C113 PolarHBondContact O-N 2.92Å
110	G	91.2	Very high	90.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-42.9	174.3	0	0	0	0	0	112.9	F106 S107 L108 G114 N178	F106-G110 WeakPolarHBondContact O-CA 3.34Å; F106-G110 PolarHBondContact O-N 2.92Å; S107-G110 PolarHBondContact O-N 3.4Å; L108-G110 VanDerWaalsContact C-N 3.28Å; L108-G110 PolarHBondContact O-N 3.36Å; G110-G114 PolarHBondContact O-N 3.14Å; G110-N178 WeakPolarHBondContact O-CB 3.37Å
111	M	93.9	Very high	91	Very high	67 Å²	67	31.9 Å²	31.9	33%	0.33	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-50.9	178.1	-173.3	178.8	62.8	0	0	111.9	S107 L108 G114 A115 G175 M179	S107-M111 WeakPolarHBondContact O-CB 3.29Å; S107-M111 PolarHBondContact O-N 2.89Å; L108-M111 HydrophobicContact CD2-CE 3.96Å; L108-M111 WeakPolarHBondContact O-CB 3.35Å; L108-M111 PolarHBondContact O-N 3.17Å; M111-G114 PolarHBondContact O-N 2.89Å; M111-A115 PolarHBondContact O-N 3.26Å; M111-G175 WeakPolarHBondContact O-CA 3.12Å; M111-M179 HydrophobicContact CB-CB 4.06Å; M111-M179 HydrophobicContact CB-CG 4.43Å; M111-M179 HydrophobicContact SD-SD 4.04Å
112	L	94.2	Very high	91.4	Very high	65 Å²	65	27.9 Å²	27.9	34%	0.34	15%	0.153	S	C	.	.	H	α-helix	trans	-66.3	-42.1	179.4	-66.8	-173	0	0	0	111.5	Y89 F93 L108 G114 A115 T116	Y89-L112 HydrophobicContact CD1-CB 4.38Å; Y89-L112 HydrophobicContact CD1-CD1 4.16Å; Y89-L112 HydrophobicContact CD2-CB 3.69Å; Y89-L112 HydrophobicContact CE1-CB 4.36Å; Y89-L112 HydrophobicContact CE1-CD1 4.29Å; Y89-L112 HydrophobicContact CE2-CB 3.65Å; Y89-L112 HydrophobicContact CG-CB 4.09Å; Y89-L112 HydrophobicContact CG-CD1 4.47Å; F93-L112 HydrophobicContact CE2-CD1 3.72Å; F93-L112 HydrophobicContact CE2-CG 4.49Å; F93-L112 HydrophobicContact CZ-CD1 3.7Å; L108-L112 PolarHBondContact O-N 2.73Å; L112-G114 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 3.47Å; L112-A115 WeakPolarHBondContact O-CB 3.45Å; L112-A115 PolarHBondContact O-N 2.66Å; L112-A115 VanDerWaalsContact O-N 3.14Å; L112-T116 PolarHBondContact O-N 3.05Å; L112-T116 PolarHBondContact O-OG1 2.92Å; L112-T116 VanDerWaalsContact O-OG1 3.08Å
113	C	92.9	Very high	91.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-54	-49.3	172.6	172.7	0	0	0	0	111.4	K82 T85 F86 Y89 A109 A115 T116 E117	K82-C113 VanDerWaalsContact CG-SG 3.53Å; K82-C113 PolarHBondContact O-SG 2.9Å; T85-C113 PolarHBondContact OG1-SG 2.92Å; F86-C113 HydrophobicContact CB-CB 4.24Å; F86-C113 HydrophobicContact CD2-CB 4.34Å; Y89-C113 HydrophobicContact CD2-CB 4.19Å; A109-C113 WeakPolarHBondContact O-CB 3.47Å; A109-C113 PolarHBondContact O-N 2.92Å; C113-A115 VanDerWaalsContact C-N 3.33Å; C113-A115 PolarHBondContact O-N 2.9Å; C113-T116 PolarHBondContact O-N 3.29Å; C113-E117 WeakPolarHBondContact O-CB 3.47Å; C113-E117 PolarHBondContact O-N 3.09Å
114	G	91.9	Very high	92.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-38.6	177	0	0	0	0	0	113.2	G110 M111 L112 A118 S174 N178	G110-G114 PolarHBondContact O-N 3.14Å; M111-G114 PolarHBondContact O-N 2.89Å; L112-G114 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 3.47Å; G114-A118 PolarHBondContact O-N 3.41Å; G114-A118 VanDerWaalsContact O-N 3.11Å; G114-S174 WeakPolarHBondContact O-CB 3.33Å; G114-N178 VanDerWaalsContact CA-ND2 3.3Å; G114-N178 WeakPolarHBondContact CA-ND2 3.45Å
115	A	94.5	Very high	92.2	Very high	19 Å²	19	26.7 Å²	26.7	16%	0.157	14%	0.143	C	C	.	.	H	α-helix	trans	-65.1	-42	175.8	0	0	0	0	0	111.9	M111 L112 C113 A118 M171	M111-A115 PolarHBondContact O-N 3.26Å; L112-A115 WeakPolarHBondContact O-CB 3.45Å; L112-A115 PolarHBondContact O-N 2.66Å; L112-A115 VanDerWaalsContact O-N 3.14Å; C113-A115 VanDerWaalsContact C-N 3.33Å; C113-A115 PolarHBondContact O-N 2.9Å; A115-A118 WeakPolarHBondContact O-CB 3.32Å; A115-A118 PolarHBondContact O-N 3.39Å; A115-M171 HydrophobicContact CB-CB 4.45Å; A115-M171 HydrophobicContact CB-CE 3.94Å
116	T	93.9	Very high	92.4	Very high	37 Å²	37	26.8 Å²	26.8	23%	0.227	14%	0.144	C	C	.	.	H	α-helix	trans	-71.3	-40.3	178.7	-53.8	0	0	0	0	112	T81 T85 Y89 L112 C113 A118 L119	T81-T116 HydrophobicContact CG2-CG2 4.34Å; T85-T116 HydrophobicContact CG2-CG2 3.72Å; Y89-T116 PolarHBondContact OH-OG1 3.34Å; L112-T116 PolarHBondContact O-N 3.05Å; L112-T116 PolarHBondContact O-OG1 2.92Å; L112-T116 VanDerWaalsContact O-OG1 3.08Å; C113-T116 PolarHBondContact O-N 3.29Å; T116-A118 PolarHBondContact O-N 2.98Å; T116-L119 WeakPolarHBondContact O-CB 3.27Å; T116-L119 PolarHBondContact O-N 3.46Å; T116-L119 VanDerWaalsContact O-N 3.13Å
117	E	94.1	Very high	92.6	Very high	9 Å²	9	25.7 Å²	25.7	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-54.5	-42.4	171.2	179.7	-166.2	142.4	0	0	110.9	K78 C113 L119 V120 V121	K78-E117 VanDerWaalsContact CE-OE1 3.26Å; K78-E117 WeakPolarHBondContact CE-OE1 3.49Å; K78-E117 HydrophobicContact CG-CG 3.86Å; K78-E117 VanDerWaalsContact CG-OE1 3.22Å; K78-E117 WeakPolarHBondContact CG-OE1 3.49Å; C113-E117 WeakPolarHBondContact O-CB 3.47Å; C113-E117 PolarHBondContact O-N 3.09Å; E117-L119 PolarHBondContact O-N 3.39Å; E117-V120 PolarHBondContact O-N 3.16Å; E117-V120 VanDerWaalsContact O-N 3.13Å; E117-V121 HydrophobicContact CG-CG2 3.97Å; E117-V121 WeakPolarHBondContact O-CG2 3.15Å; E117-V121 PolarHBondContact O-N 3.44Å
118	A	92.6	Very high	92.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-29.4	-179.1	0	0	0	0	0	112.9	G114 A115 T116 V120 V121 N122 C170 M171	G114-A118 PolarHBondContact O-N 3.41Å; G114-A118 VanDerWaalsContact O-N 3.11Å; A115-A118 WeakPolarHBondContact O-CB 3.32Å; A115-A118 PolarHBondContact O-N 3.39Å; T116-A118 PolarHBondContact O-N 2.98Å; A118-V120 VanDerWaalsContact C-N 3.31Å; A118-V120 PolarHBondContact O-N 3.47Å; A118-V121 PolarHBondContact O-N 2.92Å; A118-N122 WeakPolarHBondContact O-CB 3.3Å; A118-N122 PolarHBondContact O-N 3.35Å; A118-C170 HydrophobicContact CB-CB 4.25Å; A118-M171 HydrophobicContact CB-CB 4.32Å; A118-M171 HydrophobicContact CB-CG 3.81Å
119	L	92.9	Very high	92.6	Very high	88 Å²	88	23.4 Å²	23.4	46%	0.461	13%	0.126	S	C	.	.	H	α-helix	trans	-62.8	-39.2	176.7	-58.6	-179.1	0	0	0	112	T116 E117 L167 M171	T116-L119 WeakPolarHBondContact O-CB 3.27Å; T116-L119 PolarHBondContact O-N 3.46Å; T116-L119 VanDerWaalsContact O-N 3.13Å; E117-L119 PolarHBondContact O-N 3.39Å; L119-L167 HydrophobicContact CD2-CD1 3.91Å; L119-L167 HydrophobicContact CD2-CD2 3.93Å; L119-L167 HydrophobicContact CD2-CG 4.25Å; L119-M171 HydrophobicContact CD2-SD 4.12Å
120	V	92.1	Very high	92.6	Very high	53 Å²	53	27.2 Å²	27.2	32%	0.321	14%	0.14	S	C	.	.	H	α-helix	trans	-78.4	-39.2	180	179.5	0	0	0	0	110.9	P77 T81 E117 A118 F124	P77-V120 HydrophobicContact CB-CG1 3.88Å; T81-V120 HydrophobicContact CG2-CG2 4.16Å; E117-V120 PolarHBondContact O-N 3.16Å; E117-V120 VanDerWaalsContact O-N 3.13Å; A118-V120 VanDerWaalsContact C-N 3.31Å; A118-V120 PolarHBondContact O-N 3.47Å; V120-F124 WeakPolarHBondContact O-CD2 3.43Å
121	V	92.1	Very high	92.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-85.7	-26.2	-170.9	176.6	0	0	0	0	112.8	K78 E117 A118 F124 E125	K78-V121 HydrophobicContact CB-CG2 3.61Å; K78-V121 HydrophobicContact CD-CG2 4.13Å; K78-V121 HydrophobicContact CG-CG2 3.78Å; E117-V121 HydrophobicContact CG-CG2 3.97Å; E117-V121 WeakPolarHBondContact O-CG2 3.15Å; E117-V121 PolarHBondContact O-N 3.44Å; A118-V121 PolarHBondContact O-N 2.92Å; V121-F124 PolarHBondContact O-N 3.18Å; V121-F124 VanDerWaalsContact O-N 3.14Å; V121-E125 HydrophobicContact CG1-CG 3.58Å; V121-E125 PolarHBondContact O-N 3.39Å
122	N	93.1	Very high	92.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.8	-43.6	-173.8	-170.5	74.8	0	0	0	114.3	A118 F124 E125 T126 N164 R165 L167 C170 Q231	A118-N122 WeakPolarHBondContact O-CB 3.3Å; A118-N122 PolarHBondContact O-N 3.35Å; N122-F124 VanDerWaalsContact C-N 3.33Å; N122-F124 PolarHBondContact O-N 3.04Å; N122-E125 PolarHBondContact O-N 3.03Å; N122-T126 PolarHBondContact O-N 2.88Å; N122-T126 PolarHBondContact O-OG1 2.92Å; N122-N164 VanDerWaalsContact ND2-C 3.3Å; N122-N164 VanDerWaalsContact ND2-CA 3.31Å; N122-N164 WeakPolarHBondContact ND2-CA 3.34Å; N122-N164 PolarHBondContact ND2-O 2.9Å; N122-R165 PolarHBondContact ND2-O 2.94Å; N122-L167 HydrophobicContact CB-CD1 3.6Å; N122-C170 HydrophobicContact CB-CB 4.42Å; N122-C170 VanDerWaalsContact OD1-CB 3.25Å; N122-C170 WeakPolarHBondContact OD1-CB 3.13Å; N122-Q231 PolarHBondContact OD1-NE2 3.09Å
123	P	92.1	Very high	91.9	Very high	28 Å²	28	22 Å²	22	18%	0.182	12%	0.117	C	C	.	.	H	α-helix	trans	-54.1	-45.4	174.6	-29.9	37.7	0	0	0	113.9	T126 V127 L163	P123-T126 PolarHBondContact O-N 3.33Å; P123-V127 WeakPolarHBondContact O-CG2 3.37Å; P123-V127 PolarHBondContact O-N 2.94Å; P123-L163 HydrophobicContact CB-CD1 4.25Å; P123-L163 HydrophobicContact CB-CD2 3.88Å; P123-L163 HydrophobicContact CB-CG 3.79Å; P123-L163 HydrophobicContact CG-CD2 4.49Å; P123-L163 HydrophobicContact CG-CG 4.46Å
124	F	92.7	Very high	91.5	Very high	68 Å²	68	24.6 Å²	24.6	30%	0.298	13%	0.131	S	C	.	.	H	α-helix	trans	-68.6	-39.9	-179.9	-62.3	-86.6	0	0	0	111.6	P70 L73 A74 V120 V121 N122 V127 K128	P70-F124 HydrophobicContact CB-CB 4.19Å; P70-F124 VanDerWaalsContact CB-O 3.31Å; P70-F124 WeakPolarHBondContact CB-O 3.31Å; L73-F124 HydrophobicContact CB-CD1 4.21Å; L73-F124 HydrophobicContact CB-CE1 3.94Å; A74-F124 HydrophobicContact CB-CB 3.76Å; A74-F124 HydrophobicContact CB-CD1 4.27Å; A74-F124 HydrophobicContact CB-CD2 4.03Å; A74-F124 HydrophobicContact CB-CG 3.77Å; V120-F124 WeakPolarHBondContact O-CD2 3.43Å; V121-F124 PolarHBondContact O-N 3.18Å; V121-F124 VanDerWaalsContact O-N 3.14Å; N122-F124 VanDerWaalsContact C-N 3.33Å; N122-F124 PolarHBondContact O-N 3.04Å; F124-V127 PolarHBondContact O-N 2.86Å; F124-K128 WeakPolarHBondContact O-CB 3.02Å; F124-K128 PolarHBondContact O-N 3.36Å
125	E	91.3	Very high	91	Very high	30 Å²	30	28.4 Å²	28.4	14%	0.14	15%	0.145	C	C	.	.	H	α-helix	trans	-65.5	-40.5	176.9	-74.6	-73.6	164.7	0	0	112.2	V121 N122 V127 K128 V129 K227	V121-E125 HydrophobicContact CG1-CG 3.58Å; V121-E125 PolarHBondContact O-N 3.39Å; N122-E125 PolarHBondContact O-N 3.03Å; E125-V127 VanDerWaalsContact C-N 3.32Å; E125-V127 PolarHBondContact O-N 3.44Å; E125-K128 WeakPolarHBondContact O-CB 3.09Å; E125-K128 PolarHBondContact O-N 2.95Å; E125-V129 WeakPolarHBondContact O-CB 3.46Å; E125-V129 WeakPolarHBondContact O-CG2 3.3Å; E125-V129 PolarHBondContact O-N 3.44Å; E125-K227 IonicContact OE2-NZ 2.8Å; E125-K227 PolarHBondContact OE2-NZ 2.87Å
126	T	91.6	Very high	90.2	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-59.1	-45.7	175.7	-55.4	0	0	0	0	110.7	N122 P123 V129 R130 I152 L163 R165 Q231	N122-T126 PolarHBondContact O-N 2.88Å; N122-T126 PolarHBondContact O-OG1 2.92Å; P123-T126 PolarHBondContact O-N 3.33Å; T126-V129 PolarHBondContact O-N 3.27Å; T126-R130 WeakPolarHBondContact O-CB 3.07Å; T126-R130 PolarHBondContact O-N 2.96Å; T126-I152 HydrophobicContact CG2-CD1 4.22Å; T126-L163 WeakPolarHBondContact CB-O 3.33Å; T126-L163 PolarHBondContact OG1-O 2.66Å; T126-R165 PolarHBondContact OG1-O 2.84Å; T126-Q231 HydrophobicContact CG2-CG 4.43Å; T126-Q231 PolarHBondContact OG1-NE2 2.82Å
127	V	92.7	Very high	89.5	Confident	8 Å²	8	32.1 Å²	32.1	5%	0.048	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-45.1	177.2	177.6	0	0	0	0	111	P70 P123 F124 E125 R130 L131 T148 A149 I152 L163	P70-V127 HydrophobicContact CG-CB 4.32Å; P70-V127 HydrophobicContact CG-CG1 3.89Å; P123-V127 WeakPolarHBondContact O-CG2 3.37Å; P123-V127 PolarHBondContact O-N 2.94Å; F124-V127 PolarHBondContact O-N 2.86Å; E125-V127 VanDerWaalsContact C-N 3.32Å; E125-V127 PolarHBondContact O-N 3.44Å; V127-R130 PolarHBondContact O-N 2.88Å; V127-L131 HydrophobicContact CG1-CD1 3.89Å; V127-L131 HydrophobicContact CG1-CG 4.44Å; V127-L131 VanDerWaalsContact O-CG 3.3Å; V127-L131 WeakPolarHBondContact O-CG 3.26Å; V127-L131 PolarHBondContact O-N 2.86Å; V127-T148 HydrophobicContact CG1-CG2 4.2Å; V127-A149 HydrophobicContact CG2-CB 3.85Å; V127-I152 HydrophobicContact CG2-CD1 4.17Å; V127-L163 HydrophobicContact CG2-CD1 3.97Å
128	K	92.9	Very high	88.7	Confident	13 Å²	13	33.6 Å²	33.6	6%	0.057	18%	0.181	C	C	.	.	H	α-helix	trans	-55.2	-54.4	175.7	-179.8	-161.7	-172.4	164.3	0	111.1	D29 P70 P71 F124 E125 R130 L131 Q132	D29-K128 IonicContact OD2-NZ 3.77Å; D29-K128 PolarHBondContact OD2-NZ 3.35Å; P70-K128 HydrophobicContact CB-CB 4.23Å; P70-K128 HydrophobicContact CG-CB 4.41Å; P71-K128 HydrophobicContact CG-CD 3.67Å; P71-K128 HydrophobicContact CG-CG 3.99Å; F124-K128 WeakPolarHBondContact O-CB 3.02Å; F124-K128 PolarHBondContact O-N 3.36Å; E125-K128 WeakPolarHBondContact O-CB 3.09Å; E125-K128 PolarHBondContact O-N 2.95Å; K128-R130 VanDerWaalsContact C-N 3.3Å; K128-R130 PolarHBondContact O-N 3.43Å; K128-L131 PolarHBondContact O-N 2.97Å; K128-Q132 HydrophobicContact CG-CG 4.4Å; K128-Q132 WeakPolarHBondContact O-CB 3.48Å; K128-Q132 WeakPolarHBondContact O-CG 3.33Å; K128-Q132 PolarHBondContact O-N 2.92Å
129	V	91	Very high	88.1	Confident	1 Å²	1	36 Å²	36	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-38.5	-176.3	171.5	0	0	0	0	110.4	T33 E125 T126 Q132 A133 S228 Q231 A232	T33-V129 HydrophobicContact CG2-CG1 4.12Å; T33-V129 HydrophobicContact CG2-CG2 4.36Å; E125-V129 WeakPolarHBondContact O-CB 3.46Å; E125-V129 WeakPolarHBondContact O-CG2 3.3Å; E125-V129 PolarHBondContact O-N 3.44Å; T126-V129 PolarHBondContact O-N 3.27Å; V129-Q132 CarbonylContact O-C 3.6Å; V129-Q132 PolarHBondContact O-N 3.07Å; V129-A133 WeakPolarHBondContact O-CB 3.31Å; V129-A133 PolarHBondContact O-N 3.46Å; V129-S228 WeakPolarHBondContact CG1-O 3.24Å; V129-Q231 HydrophobicContact CB-CB 4.01Å; V129-Q231 HydrophobicContact CG1-CB 3.85Å; V129-Q231 HydrophobicContact CG2-CB 4.49Å; V129-A232 HydrophobicContact CG1-CB 3.9Å
130	R	90.4	Very high	87.3	Confident	80 Å²	80	38.9 Å²	38.9	30%	0.302	21%	0.209	S	C	.	.	H	α-helix	trans	-63	-46.3	176.1	-164.8	67.4	163.7	136.8	4.5	111.8	T126 V127 K128 A133 D134 T148 I152 A232	T126-R130 WeakPolarHBondContact O-CB 3.07Å; T126-R130 PolarHBondContact O-N 2.96Å; V127-R130 PolarHBondContact O-N 2.88Å; K128-R130 VanDerWaalsContact C-N 3.3Å; K128-R130 PolarHBondContact O-N 3.43Å; R130-A133 PolarHBondContact O-N 3.28Å; R130-D134 PolarHBondContact O-N 3.27Å; R130-D134 VanDerWaalsContact O-N 3.15Å; R130-T148 HydrophobicContact CB-CG2 4.1Å; R130-T148 HydrophobicContact CG-CG2 4Å; R130-I152 HydrophobicContact CB-CD1 4.25Å; R130-I152 HydrophobicContact CG-CD1 4.33Å; R130-A232 PolarHBondContact NH1-O 3.25Å; R130-A232 VanDerWaalsContact NH1-O 3.14Å
131	L	89.7	Confident	86.8	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-42.6	175.6	-69.9	168.8	0	0	0	111.7	P70 V127 K128 A133 D134 Q142 R143 T148	P70-L131 HydrophobicContact CG-CD1 4.25Å; V127-L131 HydrophobicContact CG1-CD1 3.89Å; V127-L131 HydrophobicContact CG1-CG 4.44Å; V127-L131 VanDerWaalsContact O-CG 3.3Å; V127-L131 WeakPolarHBondContact O-CG 3.26Å; V127-L131 PolarHBondContact O-N 2.86Å; K128-L131 PolarHBondContact O-N 2.97Å; L131-A133 VanDerWaalsContact C-N 3.27Å; L131-A133 PolarHBondContact O-N 3.31Å; L131-D134 PolarHBondContact O-N 2.94Å; L131-Q142 VanDerWaalsContact CA-NE2 3.32Å; L131-Q142 HydrophobicContact CD2-CG 3.78Å; L131-Q142 PolarHBondContact O-NE2 3.38Å; L131-R143 WeakPolarHBondContact CD2-O 3.43Å; L131-T148 HydrophobicContact CD2-CG2 4.27Å; L131-T148 WeakPolarHBondContact CD2-OG1 3.36Å; L131-T148 HydrophobicContact CG-CG2 4.24Å
132	Q	88.3	Confident	86.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-77.5	-10.4	178	-70.3	-177.1	-16.5	0	0	113.5	T33 R34 K66 K128 V129	T33-Q132 VanDerWaalsContact CB-OE1 3.31Å; T33-Q132 HydrophobicContact CG2-CB 3.87Å; T33-Q132 PolarHBondContact OG1-OE1 3.37Å; R34-Q132 WeakPolarHBondContact CD-O 3.35Å; R34-Q132 PolarHBondContact NE-O 2.94Å; R34-Q132 PolarHBondContact NH1-O 3.21Å; K66-Q132 WeakPolarHBondContact O-CG 3.49Å; K66-Q132 PolarHBondContact O-NE2 3.38Å; K128-Q132 HydrophobicContact CG-CG 4.4Å; K128-Q132 WeakPolarHBondContact O-CB 3.48Å; K128-Q132 WeakPolarHBondContact O-CG 3.33Å; K128-Q132 PolarHBondContact O-N 2.92Å; V129-Q132 CarbonylContact O-C 3.6Å; V129-Q132 PolarHBondContact O-N 3.07Å
133	A	87.1	Confident	86	Confident	19 Å²	19	51.1 Å²	51.1	16%	0.157	26%	0.256	C	S	.	.	H	α-helix	trans	-90	-25.7	174	0	0	0	0	0	111.6	R34 I37 V129 R130 L131 R135 A232	R34-A133 PolarHBondContact NH1-O 3.19Å; I37-A133 HydrophobicContact CD1-CB 3.9Å; V129-A133 WeakPolarHBondContact O-CB 3.31Å; V129-A133 PolarHBondContact O-N 3.46Å; R130-A133 PolarHBondContact O-N 3.28Å; L131-A133 VanDerWaalsContact C-N 3.27Å; L131-A133 PolarHBondContact O-N 3.31Å; A133-R135 PolarHBondContact O-N 3.05Å; A133-A232 HydrophobicContact CB-CB 3.8Å
134	D	85.1	Confident	85.9	Confident	54 Å²	54	52.2 Å²	52.2	29%	0.289	27%	0.265	S	S	.	.			trans	-70.3	117.3	176.3	-165.6	-9.2	0	0	0	111.4	R34 R130 L131 S136	R34-D134 PolarHBondContact NH1-O 2.84Å; R34-D134 PolarHBondContact NH2-O 3.35Å; R130-D134 PolarHBondContact O-N 3.27Å; R130-D134 VanDerWaalsContact O-N 3.15Å; L131-D134 PolarHBondContact O-N 2.94Å; D134-S136 PolarHBondContact OD1-N 2.92Å; D134-S136 PolarHBondContact OD1-OG 3.42Å
135	R	81.8	Confident	85.7	Confident	80 Å²	80	49.9 Å²	49.9	30%	0.302	26%	0.257	S	S	.	.			trans	-106.1	-10.8	-179.9	-62.1	173	-169.1	175.2	-0.7	112.1	R34 A133	R34-R135 VanDerWaalsContact CZ-CG 3.41Å; A133-R135 PolarHBondContact O-N 3.05Å
136	S	77.4	Confident	85.6	Confident	99 Å²	99	55.2 Å²	55.2	69%	0.692	28%	0.28	S	S	*	.	S	Bend	trans	-80	-25.8	-163.4	61.7	0	0	0	0	113.3	D134	D134-S136 PolarHBondContact OD1-N 2.92Å; D134-S136 PolarHBondContact OD1-OG 3.42Å
137	V	79.2	Confident	85.6	Confident	35 Å²	35	60.4 Å²	60.4	21%	0.212	30%	0.304	C	S	.	.	S	Bend	trans	-123.1	150.3	-171.8	-70.2	0	0	0	0	110.7	K66 E141 Q142	K66-V137 WeakPolarHBondContact CE-O 3.44Å; K66-V137 PolarHBondContact NZ-O 3.38Å; V137-E141 HydrophobicContact CB-CB 3.98Å; V137-E141 HydrophobicContact CG1-CB 4.31Å; V137-Q142 HydrophobicContact CG2-CB 4.03Å; V137-Q142 HydrophobicContact CG2-CG 4.44Å
138	S	77.5	Confident	85.5	Confident	40 Å²	40	60.4 Å²	60.4	28%	0.28	30%	0.304	S	S	.	.			trans	-67.2	165.2	167.5	-171.2	0	0	0	0	110.6	E59 L140 E141 Q142	E59-S138 PolarHBondContact O-OG 3.43Å; S138-L140 PolarHBondContact O-N 2.83Å; S138-E141 PolarHBondContact O-N 2.85Å; S138-E141 VanDerWaalsContact O-N 3.16Å; S138-Q142 WeakPolarHBondContact O-CB 3.25Å; S138-Q142 PolarHBondContact O-N 2.89Å
139	I	79.2	Confident	85.3	Confident	49 Å²	49	60.9 Å²	60.9	25%	0.251	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.7	175.3	-166	166.4	0	0	0	113	L62 K66	L62-I139 HydrophobicContact CB-CG2 3.53Å; L62-I139 HydrophobicContact CD1-CG2 4.49Å; L62-I139 VanDerWaalsContact O-CD1 3.3Å; L62-I139 WeakPolarHBondContact O-CD1 3.37Å; K66-I139 HydrophobicContact CG-CB 4.04Å; K66-I139 HydrophobicContact CG-CD1 4.16Å; K66-I139 HydrophobicContact CG-CG1 4.01Å
140	L	76.8	Confident	85.4	Confident	150 Å²	150	70 Å²	70	79%	0.785	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.5	179.5	-66.7	171.8	0	0	0	112.8	S138	S138-L140 PolarHBondContact O-N 2.83Å
141	E	81.7	Confident	85.4	Confident	144 Å²	144	68.7 Å²	68.7	67%	0.673	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-11.3	178.6	-66.7	178.1	164.2	0	0	112.2	V137 S138	V137-E141 HydrophobicContact CB-CB 3.98Å; V137-E141 HydrophobicContact CG1-CB 4.31Å; S138-E141 PolarHBondContact O-N 2.85Å; S138-E141 VanDerWaalsContact O-N 3.16Å
142	Q	84.5	Confident	85.3	Confident	27 Å²	27	69 Å²	69	13%	0.126	34%	0.344	C	S	.	.	S	Bend	trans	-65.7	137.7	180	-176.2	168	49.4	0	0	111	L131 V137 S138 S144	L131-Q142 VanDerWaalsContact CA-NE2 3.32Å; L131-Q142 HydrophobicContact CD2-CG 3.78Å; L131-Q142 PolarHBondContact O-NE2 3.38Å; V137-Q142 HydrophobicContact CG2-CB 4.03Å; V137-Q142 HydrophobicContact CG2-CG 4.44Å; S138-Q142 WeakPolarHBondContact O-CB 3.25Å; S138-Q142 PolarHBondContact O-N 2.89Å; Q142-S144 PolarHBondContact O-N 3.49Å
143	R	83.6	Confident	85.4	Confident	140 Å²	140	71.2 Å²	71.2	53%	0.528	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-55.4	139.2	172.6	-64.6	177.3	-177.2	172.3	-0	110.5	L131 Q147	L131-R143 WeakPolarHBondContact CD2-O 3.43Å; R143-Q147 HydrophobicContact CB-CB 4.18Å
144	S	89.3	Confident	85.5	Confident	52 Å²	52	74.5 Å²	74.5	36%	0.364	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-58.5	158.5	173.5	64	0	0	0	0	111.6	Q142 F146 Q147 T148	Q142-S144 PolarHBondContact O-N 3.49Å; S144-F146 PolarHBondContact O-N 3.47Å; S144-Q147 PolarHBondContact O-N 2.54Å; S144-Q147 VanDerWaalsContact O-N 3.16Å; S144-Q147 WeakPolarHBondContact OG-CB 3.25Å; S144-Q147 VanDerWaalsContact OG-CD 3.26Å; S144-Q147 WeakPolarHBondContact OG-CG 3.47Å; S144-Q147 PolarHBondContact OG-N 2.96Å; S144-Q147 PolarHBondContact OG-OE1 3.48Å; S144-T148 PolarHBondContact O-N 3.36Å; S144-T148 PolarHBondContact O-OG1 2.87Å; S144-T148 VanDerWaalsContact O-OG1 3.07Å
145	S	88.5	Confident	85.6	Confident	19 Å²	19	75.5 Å²	75.5	13%	0.133	39%	0.386	C	S	.	.	H	α-helix	trans	-58	-36	177.1	-53.7	0	0	0	0	112.4	T148 A149	S145-T148 PolarHBondContact O-N 3.22Å; S145-A149 WeakPolarHBondContact O-CB 3.07Å; S145-A149 PolarHBondContact O-N 3.3Å
146	F	90	Very high	85.5	Confident	142 Å²	142	72.5 Å²	72.5	62%	0.623	38%	0.38	S	S	*	.	H	α-helix	trans	-69	-42.5	176	-67.4	-76.1	0	0	0	112.8	L69 S144 T148 A149 R150	L69-F146 HydrophobicContact CD2-CE2 4.49Å; S144-F146 PolarHBondContact O-N 3.47Å; F146-T148 VanDerWaalsContact C-N 3.32Å; F146-T148 PolarHBondContact O-N 2.8Å; F146-A149 PolarHBondContact O-N 2.97Å; F146-R150 WeakPolarHBondContact O-CG 3.21Å; F146-R150 PolarHBondContact O-N 3.13Å
147	Q	90.3	Very high	86	Confident	112 Å²	112	69 Å²	69	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-39.9	174.9	-75.9	165.2	-29.5	0	0	111.4	R143 S144 R150 L151	R143-Q147 HydrophobicContact CB-CB 4.18Å; S144-Q147 PolarHBondContact O-N 2.54Å; S144-Q147 VanDerWaalsContact O-N 3.16Å; S144-Q147 WeakPolarHBondContact OG-CB 3.25Å; S144-Q147 VanDerWaalsContact OG-CD 3.26Å; S144-Q147 WeakPolarHBondContact OG-CG 3.47Å; S144-Q147 PolarHBondContact OG-N 2.96Å; S144-Q147 PolarHBondContact OG-OE1 3.48Å; Q147-R150 PolarHBondContact O-N 3.08Å; Q147-L151 WeakPolarHBondContact O-CB 3.5Å; Q147-L151 PolarHBondContact O-N 3.14Å
148	T	90.4	Very high	86.3	Confident	8 Å²	8	74 Å²	74	5%	0.049	38%	0.379	C	S	.	.	H	α-helix	trans	-66	-42	176.8	-58.1	0	0	0	0	111.2	V127 R130 L131 S144 S145 F146 L151 I152	V127-T148 HydrophobicContact CG1-CG2 4.2Å; R130-T148 HydrophobicContact CB-CG2 4.1Å; R130-T148 HydrophobicContact CG-CG2 4Å; L131-T148 HydrophobicContact CD2-CG2 4.27Å; L131-T148 WeakPolarHBondContact CD2-OG1 3.36Å; L131-T148 HydrophobicContact CG-CG2 4.24Å; S144-T148 PolarHBondContact O-N 3.36Å; S144-T148 PolarHBondContact O-OG1 2.87Å; S144-T148 VanDerWaalsContact O-OG1 3.07Å; S145-T148 PolarHBondContact O-N 3.22Å; F146-T148 VanDerWaalsContact C-N 3.32Å; F146-T148 PolarHBondContact O-N 2.8Å; T148-L151 PolarHBondContact O-N 3.36Å; T148-I152 HydrophobicContact CG2-CD1 3.94Å; T148-I152 WeakPolarHBondContact O-CD1 3.3Å; T148-I152 VanDerWaalsContact O-CG1 3.25Å; T148-I152 WeakPolarHBondContact O-CG1 3.48Å; T148-I152 PolarHBondContact O-N 3.03Å
149	A	90.5	Very high	86.6	Confident	22 Å²	22	74 Å²	74	18%	0.182	39%	0.385	C	S	.	.	H	α-helix	trans	-60.3	-47.3	173.2	0	0	0	0	0	111.7	V127 S145 F146 L151 I152 I153	V127-A149 HydrophobicContact CG2-CB 3.85Å; S145-A149 WeakPolarHBondContact O-CB 3.07Å; S145-A149 PolarHBondContact O-N 3.3Å; F146-A149 PolarHBondContact O-N 2.97Å; A149-L151 VanDerWaalsContact C-N 3.34Å; A149-L151 PolarHBondContact O-N 3.03Å; A149-I152 PolarHBondContact O-N 3.04Å; A149-I153 WeakPolarHBondContact O-CD1 3.38Å; A149-I153 VanDerWaalsContact O-CG1 3.23Å; A149-I153 WeakPolarHBondContact O-CG1 3.23Å; A149-I153 PolarHBondContact O-N 2.63Å
150	R	91.6	Very high	86.6	Confident	194 Å²	194	76.5 Å²	76.5	73%	0.732	40%	0.403	S	S	*	.	H	α-helix	trans	-60.3	-41.7	176.3	-77.6	-174.4	179.4	-173.6	0.9	112.4	F146 Q147 I153 A154	F146-R150 WeakPolarHBondContact O-CG 3.21Å; F146-R150 PolarHBondContact O-N 3.13Å; Q147-R150 PolarHBondContact O-N 3.08Å; R150-I153 PolarHBondContact O-N 3.24Å; R150-A154 WeakPolarHBondContact O-CB 3.33Å; R150-A154 PolarHBondContact O-N 3Å
151	L	90.3	Very high	86.7	Confident	51 Å²	51	72.5 Å²	72.5	27%	0.267	39%	0.387	S	S	.	.	H	α-helix	trans	-61	-48.4	176.4	-174.1	89.2	0	0	0	111.2	Q147 T148 A149 I153 A154 E155	Q147-L151 WeakPolarHBondContact O-CB 3.5Å; Q147-L151 PolarHBondContact O-N 3.14Å; T148-L151 PolarHBondContact O-N 3.36Å; A149-L151 VanDerWaalsContact C-N 3.34Å; A149-L151 PolarHBondContact O-N 3.03Å; L151-I153 VanDerWaalsContact C-N 3.27Å; L151-I153 PolarHBondContact O-N 2.97Å; L151-A154 PolarHBondContact O-N 3.22Å; L151-A154 VanDerWaalsContact O-N 3.1Å; L151-E155 WeakPolarHBondContact CD2-OE1 3.25Å; L151-E155 HydrophobicContact CG-CG 4.47Å; L151-E155 WeakPolarHBondContact CG-OE1 3.29Å; L151-E155 WeakPolarHBondContact O-CG 3.31Å; L151-E155 PolarHBondContact O-N 2.94Å
152	I	88.5	Confident	86.9	Confident	11 Å²	11	65.8 Å²	65.8	6%	0.056	36%	0.357	C	S	.	.	H	α-helix	trans	-61	-40	179	-67.3	162.2	0	0	0	110.7	T126 V127 R130 T148 A149 E155 G156 L163	T126-I152 HydrophobicContact CG2-CD1 4.22Å; V127-I152 HydrophobicContact CG2-CD1 4.17Å; R130-I152 HydrophobicContact CB-CD1 4.25Å; R130-I152 HydrophobicContact CG-CD1 4.33Å; T148-I152 HydrophobicContact CG2-CD1 3.94Å; T148-I152 WeakPolarHBondContact O-CD1 3.3Å; T148-I152 VanDerWaalsContact O-CG1 3.25Å; T148-I152 WeakPolarHBondContact O-CG1 3.48Å; T148-I152 PolarHBondContact O-N 3.03Å; A149-I152 PolarHBondContact O-N 3.04Å; I152-E155 PolarHBondContact O-N 2.91Å; I152-G156 PolarHBondContact O-N 3.39Å; I152-L163 HydrophobicContact CG2-CB 4.39Å; I152-L163 HydrophobicContact CG2-CD1 4.45Å
153	I	90.2	Very high	87.1	Confident	47 Å²	47	65.4 Å²	65.4	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-66.1	-39.4	175.7	-66.1	161.4	0	0	0	110.8	A149 R150 L151 G157 F158 L163	A149-I153 WeakPolarHBondContact O-CD1 3.38Å; A149-I153 VanDerWaalsContact O-CG1 3.23Å; A149-I153 WeakPolarHBondContact O-CG1 3.23Å; A149-I153 PolarHBondContact O-N 2.63Å; R150-I153 PolarHBondContact O-N 3.24Å; L151-I153 VanDerWaalsContact C-N 3.27Å; L151-I153 PolarHBondContact O-N 2.97Å; I153-G157 WeakPolarHBondContact O-CA 3.24Å; I153-G157 PolarHBondContact O-N 2.9Å; I153-F158 HydrophobicContact CD1-CD1 4.27Å; I153-F158 HydrophobicContact CD1-CE1 3.56Å; I153-F158 HydrophobicContact CD1-CZ 3.82Å; I153-F158 HydrophobicContact CG1-CD1 4.27Å; I153-F158 HydrophobicContact CG1-CE1 4.01Å; I153-F158 HydrophobicContact CG1-CZ 4.29Å; I153-F158 HydrophobicContact CG2-CD2 4.21Å; I153-F158 HydrophobicContact CG2-CE1 4.45Å; I153-F158 HydrophobicContact CG2-CE2 3.8Å; I153-F158 HydrophobicContact CG2-CZ 3.94Å; I153-L163 HydrophobicContact CD1-CD2 4.31Å; I153-L163 HydrophobicContact CG1-CB 4.32Å; I153-L163 HydrophobicContact CG1-CD2 4.34Å
154	A	89.1	Confident	87.4	Confident	88 Å²	88	60.7 Å²	60.7	73%	0.727	34%	0.341	S	S	*	.	H	α-helix	trans	-67.4	-37.3	176.1	0	0	0	0	0	112.5	R150 L151	R150-A154 WeakPolarHBondContact O-CB 3.33Å; R150-A154 PolarHBondContact O-N 3Å; L151-A154 PolarHBondContact O-N 3.22Å; L151-A154 VanDerWaalsContact O-N 3.1Å
155	E	86.8	Confident	87.2	Confident	75 Å²	75	59.8 Å²	59.8	35%	0.35	33%	0.329	S	S	.	.	H	α-helix	trans	-73.2	-38.1	-179.5	-73.5	175.1	-174.6	0	0	113.2	L151 I152 R235	L151-E155 WeakPolarHBondContact CD2-OE1 3.25Å; L151-E155 HydrophobicContact CG-CG 4.47Å; L151-E155 WeakPolarHBondContact CG-OE1 3.29Å; L151-E155 WeakPolarHBondContact O-CG 3.31Å; L151-E155 PolarHBondContact O-N 2.94Å; I152-E155 PolarHBondContact O-N 2.91Å; E155-R235 PolarHBondContact O-NH1 3.37Å
156	G	80.4	Confident	87.2	Confident	17 Å²	17	59.2 Å²	59.2	18%	0.175	33%	0.327	C	S	.	.	H	α-helix	trans	-145.2	4.2	-168.4	0	0	0	0	0	116.5	I152 G162	I152-G156 PolarHBondContact O-N 3.39Å; G156-G162 PolarHBondContact O-N 3.18Å
157	G	87.8	Confident	87.3	Confident	26 Å²	26	54 Å²	54	27%	0.268	31%	0.305	S	S	.	.			trans	73.9	-166.3	179.8	0	0	0	0	0	114.7	I153 G159 G162 L163	I153-G157 WeakPolarHBondContact O-CA 3.24Å; I153-G157 PolarHBondContact O-N 2.9Å; G157-G159 VanDerWaalsContact C-N 3.31Å; G157-G162 WeakPolarHBondContact O-CA 3.46Å; G157-L163 PolarHBondContact O-N 3.23Å
158	F	85.1	Confident	87.3	Confident	140 Å²	140	52.6 Å²	52.6	61%	0.614	30%	0.304	S	S	*	.	S	Bend	trans	-81.1	-9.2	176.1	-68.5	-81.6	0	0	0	113.7	I153 L163 N164	I153-F158 HydrophobicContact CD1-CD1 4.27Å; I153-F158 HydrophobicContact CD1-CE1 3.56Å; I153-F158 HydrophobicContact CD1-CZ 3.82Å; I153-F158 HydrophobicContact CG1-CD1 4.27Å; I153-F158 HydrophobicContact CG1-CE1 4.01Å; I153-F158 HydrophobicContact CG1-CZ 4.29Å; I153-F158 HydrophobicContact CG2-CD2 4.21Å; I153-F158 HydrophobicContact CG2-CE1 4.45Å; I153-F158 HydrophobicContact CG2-CE2 3.8Å; I153-F158 HydrophobicContact CG2-CZ 3.94Å; F158-L163 HydrophobicContact CD1-CD2 4.12Å; F158-L163 HydrophobicContact CE1-CD2 4.43Å; F158-N164 PolarHBondContact O-ND2 2.87Å
159	G	83.9	Confident	87.4	Confident	41 Å²	41	52.2 Å²	52.2	42%	0.423	30%	0.302	S	S	.	.	S	Bend	trans	-78	-168.1	-175.4	0	0	0	0	0	114.5	G157 S161 G162 N164	G157-G159 VanDerWaalsContact C-N 3.31Å; G159-S161 PolarHBondContact O-N 3.18Å; G159-G162 PolarHBondContact O-N 3.22Å; G159-G162 VanDerWaalsContact O-N 3.13Å; G159-N164 WeakPolarHBondContact O-CA 3.48Å; G159-N164 WeakPolarHBondContact O-CB 3.31Å; G159-N164 PolarHBondContact O-N 3.37Å
160	T	79.9	Confident	87.5	Confident	100 Å²	100	51.2 Å²	51.2	61%	0.613	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.1	178.6	52	0	0	0	0	113.9	R165	T160-R165 VanDerWaalsContact O-CA 3.26Å; T160-R165 WeakPolarHBondContact O-CA 3.41Å; T160-R165 WeakPolarHBondContact O-CB 3.4Å
161	S	78.7	Confident	87.6	Confident	66 Å²	66	45 Å²	45	46%	0.462	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-14.1	175.1	-59.4	0	0	0	0	113.8	G159	G159-S161 PolarHBondContact O-N 3.18Å
162	G	85.9	Confident	87.8	Confident	3 Å²	3	43.9 Å²	43.9	3%	0.031	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-110.9	-176.9	0	0	0	0	0	112	G156 G157 G159 N164 R165	G156-G162 PolarHBondContact O-N 3.18Å; G157-G162 WeakPolarHBondContact O-CA 3.46Å; G159-G162 PolarHBondContact O-N 3.22Å; G159-G162 VanDerWaalsContact O-N 3.13Å; G162-N164 VanDerWaalsContact C-N 3.32Å; G162-N164 PolarHBondContact O-N 3.48Å; G162-R165 WeakPolarHBondContact O-CB 3.45Å; G162-R165 PolarHBondContact O-N 2.87Å; G162-R165 VanDerWaalsContact O-N 3.11Å
163	L	88.4	Confident	88	Confident	19 Å²	19	45 Å²	45	10%	0.099	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-35.4	-171.9	-168.8	64.7	0	0	0	113.1	P123 T126 V127 I152 I153 G157 F158 R165	P123-L163 HydrophobicContact CB-CD1 4.25Å; P123-L163 HydrophobicContact CB-CD2 3.88Å; P123-L163 HydrophobicContact CB-CG 3.79Å; P123-L163 HydrophobicContact CG-CD2 4.49Å; P123-L163 HydrophobicContact CG-CG 4.46Å; T126-L163 WeakPolarHBondContact CB-O 3.33Å; T126-L163 PolarHBondContact OG1-O 2.66Å; V127-L163 HydrophobicContact CG2-CD1 3.97Å; I152-L163 HydrophobicContact CG2-CB 4.39Å; I152-L163 HydrophobicContact CG2-CD1 4.45Å; I153-L163 HydrophobicContact CD1-CD2 4.31Å; I153-L163 HydrophobicContact CG1-CB 4.32Å; I153-L163 HydrophobicContact CG1-CD2 4.34Å; G157-L163 PolarHBondContact O-N 3.23Å; F158-L163 HydrophobicContact CD1-CD2 4.12Å; F158-L163 HydrophobicContact CE1-CD2 4.43Å; L163-R165 PolarHBondContact O-N 3.26Å
164	N	89.2	Confident	88.1	Confident	42 Å²	42	42.9 Å²	42.9	23%	0.225	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	23.6	177	-77.8	-51	0	0	0	113.8	N122 F158 G159 G162 L167	N122-N164 VanDerWaalsContact ND2-C 3.3Å; N122-N164 VanDerWaalsContact ND2-CA 3.31Å; N122-N164 WeakPolarHBondContact ND2-CA 3.34Å; N122-N164 PolarHBondContact ND2-O 2.9Å; F158-N164 PolarHBondContact O-ND2 2.87Å; G159-N164 WeakPolarHBondContact O-CA 3.48Å; G159-N164 WeakPolarHBondContact O-CB 3.31Å; G159-N164 PolarHBondContact O-N 3.37Å; G162-N164 VanDerWaalsContact C-N 3.32Å; G162-N164 PolarHBondContact O-N 3.48Å; N164-L167 VanDerWaalsContact O-CB 3.32Å; N164-L167 WeakPolarHBondContact O-CB 3.41Å; N164-L167 PolarHBondContact O-N 2.82Å
165	R	86.3	Confident	88.3	Confident	33 Å²	33	38.9 Å²	38.9	13%	0.125	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	139.7	174.8	174	166.2	-92.3	-169.3	-12.6	111.8	N122 T126 T160 G162 L163 L167 I230 Q231 S233 G234 R235	N122-R165 PolarHBondContact ND2-O 2.94Å; T126-R165 PolarHBondContact OG1-O 2.84Å; T160-R165 VanDerWaalsContact O-CA 3.26Å; T160-R165 WeakPolarHBondContact O-CA 3.41Å; T160-R165 WeakPolarHBondContact O-CB 3.4Å; G162-R165 WeakPolarHBondContact O-CB 3.45Å; G162-R165 PolarHBondContact O-N 2.87Å; G162-R165 VanDerWaalsContact O-N 3.11Å; L163-R165 PolarHBondContact O-N 3.26Å; R165-L167 PolarHBondContact O-N 3.24Å; R165-I230 WeakPolarHBondContact CD-O 3.3Å; R165-I230 HydrophobicContact CG-CG2 3.45Å; R165-I230 VanDerWaalsContact CG-CG2 3.45Å; R165-Q231 WeakPolarHBondContact O-CG 3.31Å; R165-Q231 PolarHBondContact O-NE2 2.93Å; R165-S233 PolarHBondContact NH1-O 3.12Å; R165-G234 PolarHBondContact NH1-O 3.22Å; R165-G234 PolarHBondContact NH2-O 2.9Å; R165-R235 PolarHBondContact NH2-O 2.75Å
166	G	88	Confident	88.7	Confident	7 Å²	7	36.7 Å²	36.7	7%	0.072	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	13.1	-177.1	0	0	0	0	0	114.5	T168 S169 C170	G166-T168 VanDerWaalsContact C-N 3.32Å; G166-T168 PolarHBondContact O-N 3.13Å; G166-S169 CarbonylContact O-C 3.49Å; G166-S169 WeakPolarHBondContact O-CB 3.4Å; G166-S169 PolarHBondContact O-N 2.66Å; G166-S169 VanDerWaalsContact O-N 3.07Å; G166-C170 PolarHBondContact O-N 3.22Å
167	L	91.2	Very high	89.3	Confident	33 Å²	33	38.5 Å²	38.5	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-53.1	-46.5	-178	-176.1	63.2	0	0	0	112.7	L119 N122 N164 R165 S169 C170 M171	L119-L167 HydrophobicContact CD2-CD1 3.91Å; L119-L167 HydrophobicContact CD2-CD2 3.93Å; L119-L167 HydrophobicContact CD2-CG 4.25Å; N122-L167 HydrophobicContact CB-CD1 3.6Å; N164-L167 VanDerWaalsContact O-CB 3.32Å; N164-L167 WeakPolarHBondContact O-CB 3.41Å; N164-L167 PolarHBondContact O-N 2.82Å; R165-L167 PolarHBondContact O-N 3.24Å; L167-S169 VanDerWaalsContact C-N 3.32Å; L167-S169 PolarHBondContact O-N 3.03Å; L167-C170 WeakPolarHBondContact O-CB 3.47Å; L167-C170 PolarHBondContact O-N 2.85Å; L167-C170 VanDerWaalsContact O-N 3.09Å; L167-M171 HydrophobicContact CD1-CG 4.46Å; L167-M171 HydrophobicContact CG-CG 4.44Å; L167-M171 HydrophobicContact CG-SD 4.11Å; L167-M171 VanDerWaalsContact O-CG 3.31Å; L167-M171 WeakPolarHBondContact O-CG 3.39Å; L167-M171 PolarHBondContact O-N 2.72Å
168	T	91.9	Very high	89.5	Confident	82 Å²	82	37.3 Å²	37.3	50%	0.503	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-40.5	179.3	53.5	0	0	0	0	112.1	G166 A172	G166-T168 VanDerWaalsContact C-N 3.32Å; G166-T168 PolarHBondContact O-N 3.13Å; T168-A172 WeakPolarHBondContact O-CB 3.31Å; T168-A172 PolarHBondContact O-N 3.27Å
169	S	91.7	Very high	89.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69.5	-34.8	174.6	-54.3	0	0	0	0	112.3	G166 L167 R173 V226 I230 C242	G166-S169 CarbonylContact O-C 3.49Å; G166-S169 WeakPolarHBondContact O-CB 3.4Å; G166-S169 PolarHBondContact O-N 2.66Å; G166-S169 VanDerWaalsContact O-N 3.07Å; L167-S169 VanDerWaalsContact C-N 3.32Å; L167-S169 PolarHBondContact O-N 3.03Å; S169-R173 WeakPolarHBondContact O-CB 3.46Å; S169-R173 PolarHBondContact O-N 2.89Å; S169-V226 WeakPolarHBondContact OG-CG1 3.05Å; S169-I230 WeakPolarHBondContact OG-CD1 3.23Å; S169-C242 VanDerWaalsContact OG-CB 3.24Å; S169-C242 WeakPolarHBondContact OG-CB 3.18Å; S169-C242 PolarHBondContact OG-SG 3.15Å
170	C	92.2	Very high	90.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.4	-41.2	175.5	-163.8	0	0	0	0	111.9	A118 N122 G166 L167 S174 K227	A118-C170 HydrophobicContact CB-CB 4.25Å; N122-C170 HydrophobicContact CB-CB 4.42Å; N122-C170 VanDerWaalsContact OD1-CB 3.25Å; N122-C170 WeakPolarHBondContact OD1-CB 3.13Å; G166-C170 PolarHBondContact O-N 3.22Å; L167-C170 WeakPolarHBondContact O-CB 3.47Å; L167-C170 PolarHBondContact O-N 2.85Å; L167-C170 VanDerWaalsContact O-N 3.09Å; C170-S174 WeakPolarHBondContact O-CB 3.49Å; C170-S174 PolarHBondContact O-N 3.31Å; C170-S174 PolarHBondContact O-OG 3.35Å; C170-K227 HydrophobicContact CB-CD 4.28Å; C170-K227 HydrophobicContact CB-CG 4.45Å
171	M	94	Very high	90.6	Very high	64 Å²	64	31.4 Å²	31.4	32%	0.315	17%	0.168	S	C	.	.	H	α-helix	trans	-62.1	-49.8	173.1	-69.3	173.2	76.1	0	0	110.7	A115 A118 L119 L167 R173 S174 G175	A115-M171 HydrophobicContact CB-CB 4.45Å; A115-M171 HydrophobicContact CB-CE 3.94Å; A118-M171 HydrophobicContact CB-CB 4.32Å; A118-M171 HydrophobicContact CB-CG 3.81Å; L119-M171 HydrophobicContact CD2-SD 4.12Å; L167-M171 HydrophobicContact CD1-CG 4.46Å; L167-M171 HydrophobicContact CG-CG 4.44Å; L167-M171 HydrophobicContact CG-SD 4.11Å; L167-M171 VanDerWaalsContact O-CG 3.31Å; L167-M171 WeakPolarHBondContact O-CG 3.39Å; L167-M171 PolarHBondContact O-N 2.72Å; M171-R173 PolarHBondContact O-N 3.41Å; M171-S174 PolarHBondContact O-N 3.19Å; M171-G175 PolarHBondContact O-N 3.49Å
172	A	94	Very high	90.9	Very high	28 Å²	28	29.7 Å²	29.7	23%	0.231	15%	0.153	C	C	.	.	H	α-helix	trans	-59.3	-46.3	177.7	0	0	0	0	0	111.7	T168 S174 V176 F223	T168-A172 WeakPolarHBondContact O-CB 3.31Å; T168-A172 PolarHBondContact O-N 3.27Å; A172-S174 PolarHBondContact O-N 3.01Å; A172-V176 VanDerWaalsContact O-CB 3.22Å; A172-V176 WeakPolarHBondContact O-CB 3.36Å; A172-V176 WeakPolarHBondContact O-CG2 3.3Å; A172-V176 PolarHBondContact O-N 2.9Å; A172-F223 HydrophobicContact CB-CB 4.29Å; A172-F223 HydrophobicContact CB-CD1 3.5Å; A172-F223 HydrophobicContact CB-CE1 3.92Å; A172-F223 HydrophobicContact CB-CG 3.88Å
173	R	93.6	Very high	90.9	Very high	35 Å²	35	30 Å²	30	13%	0.132	16%	0.155	C	C	.	.	H	α-helix	trans	-57.5	-48	176.6	179.3	-161.5	64.7	82.4	-2.9	112.2	S169 M171 W177 N220 F223 D224	S169-R173 WeakPolarHBondContact O-CB 3.46Å; S169-R173 PolarHBondContact O-N 2.89Å; M171-R173 PolarHBondContact O-N 3.41Å; R173-W177 VanDerWaalsContact O-CB 3.25Å; R173-W177 WeakPolarHBondContact O-CB 3.31Å; R173-W177 PolarHBondContact O-N 3.46Å; R173-W177 VanDerWaalsContact O-N 3.14Å; R173-N220 HydrophobicContact CG-CB 4.34Å; R173-N220 WeakPolarHBondContact O-CB 3.43Å; R173-F223 HydrophobicContact CB-CB 3.91Å; R173-D224 WeakPolarHBondContact CD-OD1 3.05Å; R173-D224 HydrophobicContact CG-CB 4.03Å
174	S	92.7	Very high	90.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-76.2	-40.3	-174.1	-51.2	0	0	0	0	111.4	G114 C170 M171 A172 N178	G114-S174 WeakPolarHBondContact O-CB 3.33Å; C170-S174 WeakPolarHBondContact O-CB 3.49Å; C170-S174 PolarHBondContact O-N 3.31Å; C170-S174 PolarHBondContact O-OG 3.35Å; M171-S174 PolarHBondContact O-N 3.19Å; A172-S174 PolarHBondContact O-N 3.01Å; S174-N178 WeakPolarHBondContact O-CB 3.24Å; S174-N178 PolarHBondContact O-N 3.18Å; S174-N178 PolarHBondContact O-ND2 3.14Å
175	G	93.1	Very high	90.5	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-51.6	175.5	0	0	0	0	0	111.7	M111 M171 W177 N178 M179	M111-G175 WeakPolarHBondContact O-CA 3.12Å; M171-G175 PolarHBondContact O-N 3.49Å; G175-W177 VanDerWaalsContact C-N 3.33Å; G175-W177 PolarHBondContact O-N 3.14Å; G175-N178 PolarHBondContact O-N 2.76Å; G175-M179 VanDerWaalsContact O-CB 3.22Å; G175-M179 WeakPolarHBondContact O-CB 3.23Å; G175-M179 PolarHBondContact O-N 3.41Å
176	V	94.3	Very high	90.1	Very high	30 Å²	30	32.9 Å²	32.9	18%	0.182	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-40.2	179.3	172.3	0	0	0	0	111.6	A172 I180 N220 F223	A172-V176 VanDerWaalsContact O-CB 3.22Å; A172-V176 WeakPolarHBondContact O-CB 3.36Å; A172-V176 WeakPolarHBondContact O-CG2 3.3Å; A172-V176 PolarHBondContact O-N 2.9Å; V176-I180 HydrophobicContact CG1-CD1 3.65Å; V176-I180 HydrophobicContact CG1-CG1 4.4Å; V176-I180 WeakPolarHBondContact O-CG1 3.46Å; V176-I180 PolarHBondContact O-N 3.33Å; V176-N220 HydrophobicContact CG1-CB 4.38Å; V176-F223 HydrophobicContact CB-CD2 4.43Å; V176-F223 HydrophobicContact CB-CE2 4.34Å; V176-F223 HydrophobicContact CG1-CE2 4.32Å; V176-F223 HydrophobicContact CG2-CD2 4.21Å; V176-F223 HydrophobicContact CG2-CE2 3.78Å; V176-F223 HydrophobicContact CG2-CZ 4.38Å
177	W	93.6	Very high	89.9	Confident	55 Å²	55	34.9 Å²	34.9	21%	0.208	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-50.8	177.2	-173.1	81.9	0	0	0	111.9	R173 G175 Y181 A216 N220	R173-W177 VanDerWaalsContact O-CB 3.25Å; R173-W177 WeakPolarHBondContact O-CB 3.31Å; R173-W177 PolarHBondContact O-N 3.46Å; R173-W177 VanDerWaalsContact O-N 3.14Å; G175-W177 VanDerWaalsContact C-N 3.33Å; G175-W177 PolarHBondContact O-N 3.14Å; W177-Y181 HydrophobicContact CH2-CD1 4.48Å; W177-Y181 HydrophobicContact CH2-CD2 4.27Å; W177-Y181 HydrophobicContact CH2-CG 4.16Å; W177-Y181 HydrophobicContact CZ2-CD2 4.2Å; W177-Y181 HydrophobicContact CZ2-CG 4.42Å; W177-Y181 HydrophobicContact CZ3-CG 4.45Å; W177-Y181 WeakPolarHBondContact O-CB 3.34Å; W177-Y181 PolarHBondContact O-N 2.74Å; W177-A216 HydrophobicContact CG-CB 4.14Å; W177-N220 HydrophobicContact CB-CB 3.92Å; W177-N220 WeakPolarHBondContact CB-ND2 3.19Å; W177-N220 VanDerWaalsContact CD1-ND2 3.25Å
178	N	91.1	Very high	89.3	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-39.7	-179.6	-77.7	-59.7	0	0	0	111.3	K82 G110 G114 S174 G175 Y181 F182	K82-N178 WeakPolarHBondContact CE-OD1 3.35Å; K82-N178 PolarHBondContact NZ-OD1 2.99Å; G110-N178 WeakPolarHBondContact O-CB 3.37Å; G114-N178 VanDerWaalsContact CA-ND2 3.3Å; G114-N178 WeakPolarHBondContact CA-ND2 3.45Å; S174-N178 WeakPolarHBondContact O-CB 3.24Å; S174-N178 PolarHBondContact O-N 3.18Å; S174-N178 PolarHBondContact O-ND2 3.14Å; G175-N178 PolarHBondContact O-N 2.76Å; N178-Y181 PolarHBondContact O-N 3.41Å; N178-F182 HydrophobicContact CB-CD2 4.14Å; N178-F182 HydrophobicContact CB-CE2 4.27Å; N178-F182 WeakPolarHBondContact O-CB 3.36Å; N178-F182 WeakPolarHBondContact O-CD2 3.47Å; N178-F182 PolarHBondContact O-N 3.25Å
179	M	92.6	Very high	88.4	Confident	63 Å²	63	32.7 Å²	32.7	31%	0.31	17%	0.168	S	C	.	.	H	α-helix	trans	-56.7	-53.2	176.5	-175.5	-175.4	72.6	0	0	111.6	M111 G175 G183	M111-M179 HydrophobicContact CB-CB 4.06Å; M111-M179 HydrophobicContact CB-CG 4.43Å; M111-M179 HydrophobicContact SD-SD 4.04Å; G175-M179 VanDerWaalsContact O-CB 3.22Å; G175-M179 WeakPolarHBondContact O-CB 3.23Å; G175-M179 PolarHBondContact O-N 3.41Å; M179-G183 PolarHBondContact O-N 3.08Å
180	I	91.9	Very high	87.3	Confident	38 Å²	38	39.1 Å²	39.1	20%	0.195	20%	0.197	C	C	.	.	H	α-helix	trans	-67.7	-42.6	-178.8	-64.9	170.4	0	0	0	110.5	V176 L184 F215 A216	V176-I180 HydrophobicContact CG1-CD1 3.65Å; V176-I180 HydrophobicContact CG1-CG1 4.4Å; V176-I180 WeakPolarHBondContact O-CG1 3.46Å; V176-I180 PolarHBondContact O-N 3.33Å; I180-L184 HydrophobicContact CG2-CD1 3.56Å; I180-L184 HydrophobicContact CG2-CG 4.16Å; I180-L184 VanDerWaalsContact O-CB 3.28Å; I180-L184 WeakPolarHBondContact O-CB 3.04Å; I180-L184 WeakPolarHBondContact O-CG 3.37Å; I180-L184 PolarHBondContact O-N 2.79Å; I180-F215 HydrophobicContact CG2-CB 4.19Å; I180-A216 HydrophobicContact CB-CB 4.1Å; I180-A216 HydrophobicContact CG2-CB 3.99Å
181	Y	88.7	Confident	86.3	Confident	56 Å²	56	44.4 Å²	44.4	22%	0.22	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-55	-179.5	-177.6	-93.2	0	0	0	111.5	W177 N178 Y185	W177-Y181 HydrophobicContact CH2-CD1 4.48Å; W177-Y181 HydrophobicContact CH2-CD2 4.27Å; W177-Y181 HydrophobicContact CH2-CG 4.16Å; W177-Y181 HydrophobicContact CZ2-CD2 4.2Å; W177-Y181 HydrophobicContact CZ2-CG 4.42Å; W177-Y181 HydrophobicContact CZ3-CG 4.45Å; W177-Y181 WeakPolarHBondContact O-CB 3.34Å; W177-Y181 PolarHBondContact O-N 2.74Å; N178-Y181 PolarHBondContact O-N 3.41Å; Y181-Y185 WeakPolarHBondContact O-CB 3.36Å; Y181-Y185 PolarHBondContact O-N 2.88Å
182	F	84	Confident	84.9	Confident	30 Å²	30	46.7 Å²	46.7	13%	0.132	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-39.7	-179.2	-74.6	-66.9	0	0	0	111.9	F86 N178 H186	F86-F182 HydrophobicContact CD2-CE2 4.11Å; F86-F182 HydrophobicContact CD2-CZ 4.25Å; F86-F182 HydrophobicContact CE2-CD1 4.19Å; F86-F182 AromaticContact CE2-CD2 3.94Å; F86-F182 HydrophobicContact CE2-CD2 3.94Å; F86-F182 HydrophobicContact CE2-CE1 4.09Å; F86-F182 AromaticContact CE2-CE2 3.84Å; F86-F182 HydrophobicContact CE2-CE2 3.84Å; F86-F182 HydrophobicContact CE2-CG 4.13Å; F86-F182 AromaticContact CE2-CZ 3.91Å; F86-F182 HydrophobicContact CE2-CZ 3.91Å; F86-F182 HydrophobicContact CZ-CD1 4.07Å; F86-F182 AromaticContact CZ-CE1 3.92Å; F86-F182 HydrophobicContact CZ-CE1 3.92Å; F86-F182 HydrophobicContact CZ-CE2 4.49Å; F86-F182 HydrophobicContact CZ-CG 4.43Å; F86-F182 HydrophobicContact CZ-CZ 4.14Å; N178-F182 HydrophobicContact CB-CD2 4.14Å; N178-F182 HydrophobicContact CB-CE2 4.27Å; N178-F182 WeakPolarHBondContact O-CB 3.36Å; N178-F182 WeakPolarHBondContact O-CD2 3.47Å; N178-F182 PolarHBondContact O-N 3.25Å; F182-H186 WeakPolarHBondContact O-CB 3.22Å; F182-H186 PolarHBondContact O-CD2 2.95Å; F182-H186 VanDerWaalsContact O-CD2 3.25Å; F182-H186 PolarHBondContact O-N 2.88Å
183	G	86.1	Confident	83.5	Confident	9 Å²	9	47 Å²	47	9%	0.093	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-50.8	176.9	0	0	0	0	0	112.9	S107 M179 S187	S107-G183 WeakPolarHBondContact OG-CA 3.34Å; S107-G183 PolarHBondContact OG-N 2.89Å; M179-G183 PolarHBondContact O-N 3.08Å; G183-S187 WeakPolarHBondContact O-CB 2.85Å; G183-S187 PolarHBondContact O-N 2.98Å; G183-S187 PolarHBondContact O-OG 2.91Å
184	L	86.6	Confident	81.9	Confident	69 Å²	69	50.6 Å²	50.6	36%	0.361	27%	0.268	S	S	.	.	H	α-helix	trans	-68.3	-43.9	178.5	-70.7	176.7	0	0	0	111.9	I180 H186 A188 F215	I180-L184 HydrophobicContact CG2-CD1 3.56Å; I180-L184 HydrophobicContact CG2-CG 4.16Å; I180-L184 VanDerWaalsContact O-CB 3.28Å; I180-L184 WeakPolarHBondContact O-CB 3.04Å; I180-L184 WeakPolarHBondContact O-CG 3.37Å; I180-L184 PolarHBondContact O-N 2.79Å; L184-H186 VanDerWaalsContact C-N 3.33Å; L184-H186 PolarHBondContact O-N 3.26Å; L184-A188 WeakPolarHBondContact O-CB 3.07Å; L184-A188 PolarHBondContact O-N 2.77Å; L184-F215 HydrophobicContact CD1-CB 3.41Å; L184-F215 VanDerWaalsContact CD1-CB 3.41Å; L184-F215 HydrophobicContact CD1-CD2 4.14Å; L184-F215 HydrophobicContact CD1-CG 3.92Å
185	Y	82.2	Confident	80.5	Confident	50 Å²	50	57.1 Å²	57.1	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-43.9	-177.9	-172	-92	0	0	0	111.3	Y181 K189 L208	Y181-Y185 WeakPolarHBondContact O-CB 3.36Å; Y181-Y185 PolarHBondContact O-N 2.88Å; Y185-K189 VanDerWaalsContact O-CB 3.25Å; Y185-K189 WeakPolarHBondContact O-CB 3.48Å; Y185-K189 PolarHBondContact O-N 3.05Å; Y185-L208 HydrophobicContact CD2-CD2 4Å; Y185-L208 HydrophobicContact CD2-CG 4Å; Y185-L208 HydrophobicContact CE2-CD2 4.02Å; Y185-L208 HydrophobicContact CE2-CG 4.21Å
186	H	78.3	Confident	78.7	Confident	35 Å²	35	61.1 Å²	61.1	16%	0.162	33%	0.326	C	S	.	.	H	α-helix	trans	-78.7	-37.9	-179.6	-76.8	-87.2	0	0	0	113.7	P103 F106 F182 L184 K189 H190	P103-H186 HydrophobicContact CB-CB 4.46Å; F106-H186 HydrophobicContact CD2-CB 4.35Å; F106-H186 AromaticContact CD2-CD2 3.6Å; F106-H186 AromaticContact CD2-CE1 3.38Å; F106-H186 WeakPolarHBondContact CD2-CE1 3.48Å; F106-H186 AromaticContact CD2-CG 3.53Å; F106-H186 AromaticContact CD2-ND1 3.4Å; F106-H186 WeakPolarHBondContact CD2-ND1 3.05Å; F106-H186 AromaticContact CD2-NE2 3.51Å; F106-H186 AromaticContact CE2-CE1 3.41Å; F106-H186 VanDerWaalsContact CE2-CE1 3.41Å; F106-H186 WeakPolarHBondContact CE2-CE1 3.32Å; F106-H186 AromaticContact CE2-ND1 3.52Å; F106-H186 AromaticContact CE2-NE2 3.98Å; F182-H186 WeakPolarHBondContact O-CB 3.22Å; F182-H186 PolarHBondContact O-CD2 2.95Å; F182-H186 VanDerWaalsContact O-CD2 3.25Å; F182-H186 PolarHBondContact O-N 2.88Å; L184-H186 VanDerWaalsContact C-N 3.33Å; L184-H186 PolarHBondContact O-N 3.26Å; H186-K189 PolarHBondContact O-N 3.29Å; H186-H190 PolarHBondContact O-CD2 3.12Å; H186-H190 PolarHBondContact O-N 3.2Å
187	S	83.2	Confident	77	Confident	50 Å²	50	63.7 Å²	63.7	35%	0.35	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-46.5	172.6	-69.3	0	0	0	0	111.2	P103 G183 H190 C191	P103-S187 WeakPolarHBondContact CB-OG 3.24Å; G183-S187 WeakPolarHBondContact O-CB 2.85Å; G183-S187 PolarHBondContact O-N 2.98Å; G183-S187 PolarHBondContact O-OG 2.91Å; S187-H190 PolarHBondContact O-N 2.83Å; S187-C191 PolarHBondContact O-N 3.35Å
188	A	78.7	Confident	75.5	Confident	22 Å²	22	61.5 Å²	61.5	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-68.2	-38.1	178.9	0	0	0	0	0	112.2	L184 H190 C191 L192 L208	L184-A188 WeakPolarHBondContact O-CB 3.07Å; L184-A188 PolarHBondContact O-N 2.77Å; A188-H190 VanDerWaalsContact C-N 3.27Å; A188-H190 PolarHBondContact O-N 2.65Å; A188-C191 PolarHBondContact O-N 3.26Å; A188-L192 HydrophobicContact CB-CD1 4.23Å; A188-L192 VanDerWaalsContact O-CB 3.3Å; A188-L192 WeakPolarHBondContact O-CB 3.35Å; A188-L192 PolarHBondContact O-N 2.99Å; A188-L208 HydrophobicContact CB-CD1 3.34Å; A188-L208 HydrophobicContact CB-CD2 4.21Å; A188-L208 HydrophobicContact CB-CG 4.39Å
189	K	73.3	Confident	73.8	Confident	46 Å²	46	69.2 Å²	69.2	20%	0.2	36%	0.362	C	S	.	.	H	α-helix	trans	-57.4	-42.5	173.2	-172.6	-174.5	172.1	-160	0	110.8	Y185 H186 F193 E195 L198	Y185-K189 VanDerWaalsContact O-CB 3.25Å; Y185-K189 WeakPolarHBondContact O-CB 3.48Å; Y185-K189 PolarHBondContact O-N 3.05Å; H186-K189 PolarHBondContact O-N 3.29Å; K189-F193 PolarHBondContact O-N 3.43Å; K189-F193 VanDerWaalsContact O-O 3.05Å; K189-E195 IonicContact NZ-OE1 2.92Å; K189-E195 PolarHBondContact NZ-OE1 3.28Å; K189-L198 HydrophobicContact CD-CD2 4.14Å; K189-L198 HydrophobicContact CG-CD2 4.23Å
190	H	68.3	Low	72.1	Confident	135 Å²	135	74.3 Å²	74.3	63%	0.625	38%	0.384	S	S	*	.	H	α-helix	trans	-69.8	-38.3	178.8	-93.1	-75.8	0	0	0	114	H186 S187 A188	H186-H190 PolarHBondContact O-CD2 3.12Å; H186-H190 PolarHBondContact O-N 3.2Å; S187-H190 PolarHBondContact O-N 2.83Å; A188-H190 VanDerWaalsContact C-N 3.27Å; A188-H190 PolarHBondContact O-N 2.65Å
191	C	71.5	Confident	71	Confident	112 Å²	112	75.5 Å²	75.5	76%	0.757	39%	0.388	S	S	*	.	H	α-helix	trans	-79.9	-31.5	-177.7	-73.1	0	0	0	0	113.8	S187 A188	S187-C191 PolarHBondContact O-N 3.35Å; A188-C191 PolarHBondContact O-N 3.26Å
192	L	64.9	Low	70.3	Confident	111 Å²	111	78.1 Å²	78.1	58%	0.581	41%	0.406	S	S	*	.	H	α-helix	trans	-107.8	-21.9	-165.3	-64.3	168.4	0	0	0	114.4	A188	A188-L192 HydrophobicContact CB-CD1 4.23Å; A188-L192 VanDerWaalsContact O-CB 3.3Å; A188-L192 WeakPolarHBondContact O-CB 3.35Å; A188-L192 PolarHBondContact O-N 2.99Å
193	F	64.8	Low	69.9	Low	34 Å²	34	82.6 Å²	82.6	15%	0.149	43%	0.427	C	S	.	.			trans	-142.4	129.3	-170	-54.2	-73	0	0	0	113.4	K189 L198 Y204	K189-F193 PolarHBondContact O-N 3.43Å; K189-F193 VanDerWaalsContact O-O 3.05Å; F193-L198 HydrophobicContact CB-CD1 4.04Å; F193-L198 HydrophobicContact CD2-CD1 3.66Å; F193-L198 HydrophobicContact CE2-CD1 4.28Å; F193-L198 HydrophobicContact CG-CD1 3.8Å; F193-Y204 AromaticContact CE1-CD1 3.79Å; F193-Y204 HydrophobicContact CE1-CD1 3.79Å; F193-Y204 HydrophobicContact CE1-CE1 4.3Å; F193-Y204 HydrophobicContact CE1-CG 4.09Å; F193-Y204 AromaticContact CZ-CD1 3.59Å; F193-Y204 HydrophobicContact CZ-CD1 3.59Å; F193-Y204 HydrophobicContact CZ-CE1 4.34Å; F193-Y204 HydrophobicContact CZ-CG 4.08Å
194	T	61	Low	69.4	Low	111 Å²	111	87 Å²	87	68%	0.681	44%	0.441	S	S	*	.			trans	-69.5	140	160.5	-31.2	0	0	0	0	108.4	S196 E197	T194-S196 PolarHBondContact O-N 3.14Å; T194-E197 PolarHBondContact O-N 2.79Å
195	E	61.8	Low	68.9	Low	140 Å²	140	87.8 Å²	87.8	65%	0.654	44%	0.439	S	S	*	.	H	α-helix	trans	-50.7	-29.8	-171.7	-72.4	-142.9	127.6	0	0	115	K189	K189-E195 IonicContact NZ-OE1 2.92Å; K189-E195 PolarHBondContact NZ-OE1 3.28Å
196	S	56.1	Low	68.7	Low	86 Å²	86	90.5 Å²	90.5	60%	0.601	45%	0.452	S	S	*	.	H	α-helix	trans	-63.9	-43	177	-172.7	0	0	0	0	113.2	T194 L198 K199	T194-S196 PolarHBondContact O-N 3.14Å; S196-L198 PolarHBondContact O-N 3.4Å; S196-K199 PolarHBondContact O-N 2.9Å
197	E	58.9	Low	68.9	Low	85 Å²	85	91 Å²	91	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-69.9	-35.5	-178	-78.1	-140.7	112.8	0	0	112.4	T194 K199 H200 K201	T194-E197 PolarHBondContact O-N 2.79Å; E197-K199 PolarHBondContact O-N 3.02Å; E197-H200 PolarHBondContact O-N 3.19Å; E197-K201 PolarHBondContact O-N 3.34Å; E197-K201 IonicContact OE1-NZ 2.79Å; E197-K201 PolarHBondContact OE1-NZ 3.46Å; E197-K201 IonicContact OE2-NZ 3.84Å
198	L	60.6	Low	68.9	Low	9 Å²	9	89.3 Å²	89.3	5%	0.047	45%	0.45	C	S	.	.	H	α-helix	trans	-61.4	-31.1	-178.2	-155.3	80.9	0	0	0	111	K189 F193 S196 R205	K189-L198 HydrophobicContact CD-CD2 4.14Å; K189-L198 HydrophobicContact CG-CD2 4.23Å; F193-L198 HydrophobicContact CB-CD1 4.04Å; F193-L198 HydrophobicContact CD2-CD1 3.66Å; F193-L198 HydrophobicContact CE2-CD1 4.28Å; F193-L198 HydrophobicContact CG-CD1 3.8Å; S196-L198 PolarHBondContact O-N 3.4Å; L198-R205 HydrophobicContact CD1-CG 4.11Å; L198-R205 HydrophobicContact CD2-CG 4.27Å; L198-R205 HydrophobicContact CG-CG 3.79Å; L198-R205 PolarHBondContact O-NE 3.47Å; L198-R205 PolarHBondContact O-NH2 3.07Å; L198-R205 VanDerWaalsContact O-NH2 3.15Å
199	K	57.3	Low	69.2	Low	163 Å²	163	89 Å²	89	71%	0.709	45%	0.448	S	S	*	.	H	α-helix	trans	-67.2	-36	178.1	-84.1	-177.7	177.4	177.6	0	114	S196 E197	S196-K199 PolarHBondContact O-N 2.9Å; E197-K199 PolarHBondContact O-N 3.02Å
200	H	56.7	Low	69.8	Low	169 Å²	169	90.6 Å²	90.6	78%	0.782	46%	0.455	S	S	*	.	H	α-helix	trans	-89	-13.5	-176	-77.3	-65.5	0	0	0	114.2	E197	E197-H200 PolarHBondContact O-N 3.19Å
201	K	68.3	Low	70.8	Confident	64 Å²	64	88.7 Å²	88.7	28%	0.278	45%	0.449	S	S	.	.			trans	-116	67.2	-169.7	-85.7	175.1	-179.4	171.8	0	112.2	E197 H203 Y204 R205	E197-K201 PolarHBondContact O-N 3.34Å; E197-K201 IonicContact OE1-NZ 2.79Å; E197-K201 PolarHBondContact OE1-NZ 3.46Å; E197-K201 IonicContact OE2-NZ 3.84Å; K201-H203 PolarHBondContact O-N 3.16Å; K201-H203 VanDerWaalsContact O-N 3.16Å; K201-Y204 HydrophobicContact CB-CD2 3.6Å; K201-Y204 HydrophobicContact CB-CE2 4.34Å; K201-Y204 HydrophobicContact CB-CG 4.36Å; K201-Y204 HydrophobicContact CD-CD2 3.74Å; K201-Y204 HydrophobicContact CD-CE2 3.64Å; K201-Y204 HydrophobicContact CG-CD2 3.86Å; K201-Y204 HydrophobicContact CG-CE2 4.09Å; K201-Y204 PolarHBondContact O-N 3.1Å; K201-R205 PolarHBondContact O-N 3.28Å
202	L	73.3	Confident	71.5	Confident	111 Å²	111	83.5 Å²	83.5	58%	0.581	41%	0.414	S	S	*	.	H	α-helix	trans	-49.7	-40.9	-179.2	-177.7	68.1	0	0	0	113.2	Y204 R205 F206	L202-Y204 VanDerWaalsContact C-N 3.31Å; L202-Y204 PolarHBondContact O-N 3.2Å; L202-R205 WeakPolarHBondContact O-CB 3.27Å; L202-R205 PolarHBondContact O-N 2.95Å; L202-F206 PolarHBondContact O-N 2.97Å
203	H	76.5	Confident	72.7	Confident	124 Å²	124	78.2 Å²	78.2	57%	0.574	39%	0.387	S	S	*	.	H	α-helix	trans	-62.8	-34.6	179.5	54.2	-85.2	0	0	0	113	K201 F206 A207	K201-H203 PolarHBondContact O-N 3.16Å; K201-H203 VanDerWaalsContact O-N 3.16Å; H203-F206 PolarHBondContact O-N 2.9Å; H203-A207 WeakPolarHBondContact O-CB 3.41Å; H203-A207 PolarHBondContact O-N 3.48Å
204	Y	75.1	Confident	73.9	Confident	101 Å²	101	77.5 Å²	77.5	40%	0.396	39%	0.386	S	S	.	.	H	α-helix	trans	-69.8	-37.7	175.1	-76.5	-88.4	0	0	0	111.9	F193 K201 L202 F206 A207 L208	F193-Y204 AromaticContact CE1-CD1 3.79Å; F193-Y204 HydrophobicContact CE1-CD1 3.79Å; F193-Y204 HydrophobicContact CE1-CE1 4.3Å; F193-Y204 HydrophobicContact CE1-CG 4.09Å; F193-Y204 AromaticContact CZ-CD1 3.59Å; F193-Y204 HydrophobicContact CZ-CD1 3.59Å; F193-Y204 HydrophobicContact CZ-CE1 4.34Å; F193-Y204 HydrophobicContact CZ-CG 4.08Å; K201-Y204 HydrophobicContact CB-CD2 3.6Å; K201-Y204 HydrophobicContact CB-CE2 4.34Å; K201-Y204 HydrophobicContact CB-CG 4.36Å; K201-Y204 HydrophobicContact CD-CD2 3.74Å; K201-Y204 HydrophobicContact CD-CE2 3.64Å; K201-Y204 HydrophobicContact CG-CD2 3.86Å; K201-Y204 HydrophobicContact CG-CE2 4.09Å; K201-Y204 PolarHBondContact O-N 3.1Å; L202-Y204 VanDerWaalsContact C-N 3.31Å; L202-Y204 PolarHBondContact O-N 3.2Å; Y204-F206 VanDerWaalsContact C-N 3.31Å; Y204-F206 PolarHBondContact O-N 2.97Å; Y204-A207 PolarHBondContact O-N 3.47Å; Y204-L208 VanDerWaalsContact O-CB 3.29Å; Y204-L208 WeakPolarHBondContact O-CB 3.48Å; Y204-L208 PolarHBondContact O-N 3.43Å
205	R	75.4	Confident	75.4	Confident	86 Å²	86	77.8 Å²	77.8	33%	0.325	38%	0.378	S	S	.	.	H	α-helix	trans	-61.2	-43.6	172.9	-68	178.6	175.8	177.1	-6.8	111.4	L198 K201 L202 L208 G209	L198-R205 HydrophobicContact CD1-CG 4.11Å; L198-R205 HydrophobicContact CD2-CG 4.27Å; L198-R205 HydrophobicContact CG-CG 3.79Å; L198-R205 PolarHBondContact O-NE 3.47Å; L198-R205 PolarHBondContact O-NH2 3.07Å; L198-R205 VanDerWaalsContact O-NH2 3.15Å; K201-R205 PolarHBondContact O-N 3.28Å; L202-R205 WeakPolarHBondContact O-CB 3.27Å; L202-R205 PolarHBondContact O-N 2.95Å; R205-L208 PolarHBondContact O-N 3.25Å; R205-G209 PolarHBondContact O-N 2.9Å
206	F	78.3	Confident	76.8	Confident	106 Å²	106	71.1 Å²	71.1	47%	0.465	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-47.6	178	-169	-91.5	0	0	0	111.3	L202 H203 Y204 L208 G209 F210 A274	L202-F206 PolarHBondContact O-N 2.97Å; H203-F206 PolarHBondContact O-N 2.9Å; Y204-F206 VanDerWaalsContact C-N 3.31Å; Y204-F206 PolarHBondContact O-N 2.97Å; F206-L208 PolarHBondContact O-N 2.61Å; F206-G209 PolarHBondContact O-N 2.7Å; F206-F210 VanDerWaalsContact O-CB 3.29Å; F206-F210 WeakPolarHBondContact O-CB 3.43Å; F206-F210 PolarHBondContact O-N 2.75Å; F206-A274 HydrophobicContact CE2-CB 4.49Å
207	A	82.9	Confident	78.6	Confident	46 Å²	46	67.1 Å²	67.1	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-60.2	-44.5	176.9	0	0	0	0	0	111.9	H203 Y204 F210 L211	H203-A207 WeakPolarHBondContact O-CB 3.41Å; H203-A207 PolarHBondContact O-N 3.48Å; Y204-A207 PolarHBondContact O-N 3.47Å; A207-F210 PolarHBondContact O-N 2.9Å; A207-L211 WeakPolarHBondContact O-CB 3.22Å; A207-L211 VanDerWaalsContact O-CG 3.31Å; A207-L211 WeakPolarHBondContact O-CG 3.38Å; A207-L211 PolarHBondContact O-N 3.48Å
208	L	83.8	Confident	80.2	Confident	15 Å²	15	66.4 Å²	66.4	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-47.9	178	-178.5	62.5	0	0	0	111.5	Y185 A188 Y204 R205 F206 F210 L211 S212	Y185-L208 HydrophobicContact CD2-CD2 4Å; Y185-L208 HydrophobicContact CD2-CG 4Å; Y185-L208 HydrophobicContact CE2-CD2 4.02Å; Y185-L208 HydrophobicContact CE2-CG 4.21Å; A188-L208 HydrophobicContact CB-CD1 3.34Å; A188-L208 HydrophobicContact CB-CD2 4.21Å; A188-L208 HydrophobicContact CB-CG 4.39Å; Y204-L208 VanDerWaalsContact O-CB 3.29Å; Y204-L208 WeakPolarHBondContact O-CB 3.48Å; Y204-L208 PolarHBondContact O-N 3.43Å; R205-L208 PolarHBondContact O-N 3.25Å; F206-L208 PolarHBondContact O-N 2.61Å; L208-F210 VanDerWaalsContact C-N 3.28Å; L208-F210 PolarHBondContact O-N 3.36Å; L208-L211 PolarHBondContact O-N 3.35Å; L208-S212 WeakPolarHBondContact O-CB 3.25Å; L208-S212 PolarHBondContact O-N 3.26Å; L208-S212 PolarHBondContact O-OG 2.99Å; L208-S212 VanDerWaalsContact O-OG 3.06Å
209	G	83.9	Confident	81.7	Confident	14 Å²	14	67.2 Å²	67.2	14%	0.144	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-39.9	176.1	0	0	0	0	0	112.4	R205 F206 G213	R205-G209 PolarHBondContact O-N 2.9Å; F206-G209 PolarHBondContact O-N 2.7Å; G209-G213 WeakPolarHBondContact O-CA 3.37Å; G209-G213 PolarHBondContact O-N 3.27Å
210	F	85.9	Confident	83.5	Confident	80 Å²	80	59.5 Å²	59.5	35%	0.351	29%	0.294	S	S	.	.	H	α-helix	trans	-67.5	-43.6	177	-173.5	-95.2	0	0	0	112.4	F206 A207 L208 G213 S214 I266	F206-F210 VanDerWaalsContact O-CB 3.29Å; F206-F210 WeakPolarHBondContact O-CB 3.43Å; F206-F210 PolarHBondContact O-N 2.75Å; A207-F210 PolarHBondContact O-N 2.9Å; L208-F210 VanDerWaalsContact C-N 3.28Å; L208-F210 PolarHBondContact O-N 3.36Å; F210-G213 PolarHBondContact O-N 3.39Å; F210-S214 VanDerWaalsContact O-CB 3.32Å; F210-S214 WeakPolarHBondContact O-CB 3.45Å; F210-S214 PolarHBondContact O-N 3.29Å; F210-S214 PolarHBondContact O-OG 3.42Å; F210-I266 HydrophobicContact CZ-CG2 4.17Å
211	L	88.8	Confident	85.3	Confident	96 Å²	96	51.5 Å²	51.5	50%	0.503	26%	0.257	S	S	.	.	H	α-helix	trans	-64.5	-52.9	176.5	-74.3	168.8	0	0	0	111	A207 L208 G213 S214 F215	A207-L211 WeakPolarHBondContact O-CB 3.22Å; A207-L211 VanDerWaalsContact O-CG 3.31Å; A207-L211 WeakPolarHBondContact O-CG 3.38Å; A207-L211 PolarHBondContact O-N 3.48Å; L208-L211 PolarHBondContact O-N 3.35Å; L211-G213 VanDerWaalsContact C-N 3.27Å; L211-G213 PolarHBondContact O-N 3.29Å; L211-S214 PolarHBondContact O-N 2.86Å; L211-S214 VanDerWaalsContact O-N 3.1Å; L211-F215 VanDerWaalsContact O-CD2 3.26Å; L211-F215 WeakPolarHBondContact O-CD2 3.46Å; L211-F215 PolarHBondContact O-N 3.15Å
212	S	87.6	Confident	86.5	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-41.6	176.7	-58.4	0	0	0	0	111.4	L208 A216	L208-S212 WeakPolarHBondContact O-CB 3.25Å; L208-S212 PolarHBondContact O-N 3.26Å; L208-S212 PolarHBondContact O-OG 2.99Å; L208-S212 VanDerWaalsContact O-OG 3.06Å; S212-A216 VanDerWaalsContact O-CB 3.25Å; S212-A216 WeakPolarHBondContact O-CB 3.22Å; S212-A216 PolarHBondContact O-N 3.14Å
213	G	89.1	Confident	87.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-39.9	175.2	0	0	0	0	0	113.3	G209 F210 L211 A216 C217 L269	G209-G213 WeakPolarHBondContact O-CA 3.37Å; G209-G213 PolarHBondContact O-N 3.27Å; F210-G213 PolarHBondContact O-N 3.39Å; L211-G213 VanDerWaalsContact C-N 3.27Å; L211-G213 PolarHBondContact O-N 3.29Å; G213-A216 PolarHBondContact O-N 2.79Å; G213-C217 WeakPolarHBondContact O-CB 3.38Å; G213-C217 PolarHBondContact O-N 3.36Å; G213-C217 PolarHBondContact O-SG 2.99Å; G213-L269 WeakPolarHBondContact O-CD1 3.31Å
214	S	91.1	Very high	88.3	Confident	19 Å²	19	40.2 Å²	40.2	13%	0.133	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-46.1	178.3	-63.4	0	0	0	0	111.6	F210 L211 C217 L218	F210-S214 VanDerWaalsContact O-CB 3.32Å; F210-S214 WeakPolarHBondContact O-CB 3.45Å; F210-S214 PolarHBondContact O-N 3.29Å; F210-S214 PolarHBondContact O-OG 3.42Å; L211-S214 PolarHBondContact O-N 2.86Å; L211-S214 VanDerWaalsContact O-N 3.1Å; S214-C217 WeakPolarHBondContact O-CB 3.33Å; S214-C217 PolarHBondContact O-N 2.64Å; S214-C217 VanDerWaalsContact O-N 3.14Å; S214-L218 PolarHBondContact O-N 3.5Å
215	F	92.1	Very high	89.2	Confident	116 Å²	116	35.4 Å²	35.4	51%	0.509	18%	0.184	S	C	.	.	H	α-helix	trans	-63.5	-40.8	173.6	-79.2	-72.9	0	0	0	112.3	I180 L184 L211 C217 L218 G219	I180-F215 HydrophobicContact CG2-CB 4.19Å; L184-F215 HydrophobicContact CD1-CB 3.41Å; L184-F215 VanDerWaalsContact CD1-CB 3.41Å; L184-F215 HydrophobicContact CD1-CD2 4.14Å; L184-F215 HydrophobicContact CD1-CG 3.92Å; L211-F215 VanDerWaalsContact O-CD2 3.26Å; L211-F215 WeakPolarHBondContact O-CD2 3.46Å; L211-F215 PolarHBondContact O-N 3.15Å; F215-C217 PolarHBondContact O-N 3.36Å; F215-L218 HydrophobicContact CD1-CD1 4.23Å; F215-L218 WeakPolarHBondContact O-CB 3.46Å; F215-L218 PolarHBondContact O-N 2.83Å; F215-L218 VanDerWaalsContact O-N 3.13Å; F215-G219 PolarHBondContact O-N 3.22Å
216	A	92.1	Very high	90	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-34.4	173.9	0	0	0	0	0	111.8	W177 I180 S212 G213 N220	W177-A216 HydrophobicContact CG-CB 4.14Å; I180-A216 HydrophobicContact CB-CB 4.1Å; I180-A216 HydrophobicContact CG2-CB 3.99Å; S212-A216 VanDerWaalsContact O-CB 3.25Å; S212-A216 WeakPolarHBondContact O-CB 3.22Å; S212-A216 PolarHBondContact O-N 3.14Å; G213-A216 PolarHBondContact O-N 2.79Å; A216-N220 WeakPolarHBondContact O-CB 3.41Å; A216-N220 VanDerWaalsContact O-CG 3.27Å; A216-N220 PolarHBondContact O-N 2.78Å; A216-N220 PolarHBondContact O-OD1 2.91Å; A216-N220 VanDerWaalsContact O-OD1 3.12Å
217	C	92.1	Very high	90.7	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.02	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-39.5	172.5	-75.6	0	0	0	0	112.6	G213 S214 F215 N220 T221 L262 K265 I266 L269	G213-C217 WeakPolarHBondContact O-CB 3.38Å; G213-C217 PolarHBondContact O-N 3.36Å; G213-C217 PolarHBondContact O-SG 2.99Å; S214-C217 WeakPolarHBondContact O-CB 3.33Å; S214-C217 PolarHBondContact O-N 2.64Å; S214-C217 VanDerWaalsContact O-N 3.14Å; F215-C217 PolarHBondContact O-N 3.36Å; C217-N220 VanDerWaalsContact CA-OD1 3.27Å; C217-N220 WeakPolarHBondContact CA-OD1 3.42Å; C217-N220 PolarHBondContact O-OD1 3.24Å; C217-T221 VanDerWaalsContact O-CB 3.24Å; C217-T221 WeakPolarHBondContact O-CB 3.37Å; C217-T221 PolarHBondContact O-N 2.84Å; C217-T221 VanDerWaalsContact O-N 3.08Å; C217-T221 PolarHBondContact O-OG1 3.4Å; C217-L262 HydrophobicContact CB-CD1 4.21Å; C217-K265 HydrophobicContact CB-CD 4.29Å; C217-I266 HydrophobicContact CB-CG1 4.37Å; C217-L269 HydrophobicContact CB-CD1 4.36Å; C217-L269 WeakPolarHBondContact SG-CD1 3.45Å
218	L	93.8	Very high	91.2	Very high	70 Å²	70	24.2 Å²	24.2	37%	0.366	13%	0.13	S	C	.	.	H	α-helix	trans	-60.4	-49.3	174.5	-69	170.9	0	0	0	111	S214 F215 N220 P222 Y259 L262	S214-L218 PolarHBondContact O-N 3.5Å; F215-L218 HydrophobicContact CD1-CD1 4.23Å; F215-L218 WeakPolarHBondContact O-CB 3.46Å; F215-L218 PolarHBondContact O-N 2.83Å; F215-L218 VanDerWaalsContact O-N 3.13Å; L218-N220 PolarHBondContact O-N 3.38Å; L218-P222 WeakPolarHBondContact O-CD 3.42Å; L218-Y259 WeakPolarHBondContact O-CE1 3.3Å; L218-L262 HydrophobicContact CD2-CD1 4.11Å; L218-L262 HydrophobicContact CD2-CD2 3.57Å; L218-L262 HydrophobicContact CD2-CG 4.47Å
219	G	92.5	Very high	91.5	Very high	25 Å²	25	23.7 Å²	23.7	26%	0.258	13%	0.127	S	C	.	.	H	α-helix	trans	-66.7	-36.4	-178.2	0	0	0	0	0	114.2	F215	F215-G219 PolarHBondContact O-N 3.22Å
220	N	94.1	Very high	91.9	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.011	12%	0.121	C	C	.	.	H	α-helix	trans	-90.9	-13.5	-175.9	84.1	-20.3	0	0	0	115	R173 V176 W177 A216 C217 L218 F223 D224 K265	R173-N220 HydrophobicContact CG-CB 4.34Å; R173-N220 WeakPolarHBondContact O-CB 3.43Å; V176-N220 HydrophobicContact CG1-CB 4.38Å; W177-N220 HydrophobicContact CB-CB 3.92Å; W177-N220 WeakPolarHBondContact CB-ND2 3.19Å; W177-N220 VanDerWaalsContact CD1-ND2 3.25Å; A216-N220 WeakPolarHBondContact O-CB 3.41Å; A216-N220 VanDerWaalsContact O-CG 3.27Å; A216-N220 PolarHBondContact O-N 2.78Å; A216-N220 PolarHBondContact O-OD1 2.91Å; A216-N220 VanDerWaalsContact O-OD1 3.12Å; C217-N220 VanDerWaalsContact CA-OD1 3.27Å; C217-N220 WeakPolarHBondContact CA-OD1 3.42Å; C217-N220 PolarHBondContact O-OD1 3.24Å; L218-N220 PolarHBondContact O-N 3.38Å; N220-F223 PolarHBondContact O-N 3.33Å; N220-D224 WeakPolarHBondContact O-CB 3.47Å; N220-D224 PolarHBondContact O-N 2.98Å; N220-K265 VanDerWaalsContact CG-NZ 3.25Å; N220-K265 PolarHBondContact ND2-NZ 3.38Å; N220-K265 VanDerWaalsContact OD1-CE 3.25Å; N220-K265 WeakPolarHBondContact OD1-CE 3.45Å; N220-K265 PolarHBondContact OD1-NZ 3.47Å
221	T	93.9	Very high	92.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.9	-39.2	-174.3	-67.4	0	0	0	0	113.9	C217 F223 D224 V225 L258 Y259 L262 K265	C217-T221 VanDerWaalsContact O-CB 3.24Å; C217-T221 WeakPolarHBondContact O-CB 3.37Å; C217-T221 PolarHBondContact O-N 2.84Å; C217-T221 VanDerWaalsContact O-N 3.08Å; C217-T221 PolarHBondContact O-OG1 3.4Å; T221-F223 VanDerWaalsContact C-N 3.29Å; T221-F223 PolarHBondContact O-N 3.03Å; T221-D224 WeakPolarHBondContact O-CA 3.35Å; T221-D224 WeakPolarHBondContact O-CB 3.45Å; T221-D224 PolarHBondContact O-N 2.89Å; T221-V225 HydrophobicContact CG2-CG2 4.31Å; T221-V225 PolarHBondContact O-N 3.13Å; T221-L258 CarbonylContact C-O 3.5Å; T221-Y259 HydrophobicContact CG2-CD1 4.37Å; T221-L262 HydrophobicContact CG2-CB 4.29Å; T221-L262 HydrophobicContact CG2-CD1 4.49Å; T221-K265 PolarHBondContact OG1-NZ 3.11Å
222	P	94.4	Very high	92	Very high	16 Å²	16	15.7 Å²	15.7	10%	0.104	9%	0.086	C	C	.	.	H	α-helix	trans	-54.9	-44.2	173.7	-28.4	36.5	0	0	0	113	L218 D224 V226 L258 Y259	L218-P222 WeakPolarHBondContact O-CD 3.42Å; P222-D224 VanDerWaalsContact C-N 3.32Å; P222-D224 PolarHBondContact O-N 3.46Å; P222-V226 WeakPolarHBondContact O-CG2 3.1Å; P222-V226 PolarHBondContact O-N 3.11Å; P222-L258 WeakPolarHBondContact CA-O 3.38Å; P222-L258 HydrophobicContact CB-CB 4.2Å; P222-L258 HydrophobicContact CG-CB 4.42Å; P222-Y259 HydrophobicContact CG-CE1 4.22Å; P222-Y259 HydrophobicContact CG-CE2 4.22Å
223	F	94.7	Very high	91.8	Very high	46 Å²	46	17.3 Å²	17.3	20%	0.202	10%	0.097	C	C	.	.	H	α-helix	trans	-68.7	-32.4	177.2	-57.1	-71.5	0	0	0	112.6	A172 R173 V176 N220 T221 K227 I246	A172-F223 HydrophobicContact CB-CB 4.29Å; A172-F223 HydrophobicContact CB-CD1 3.5Å; A172-F223 HydrophobicContact CB-CE1 3.92Å; A172-F223 HydrophobicContact CB-CG 3.88Å; R173-F223 HydrophobicContact CB-CB 3.91Å; V176-F223 HydrophobicContact CB-CD2 4.43Å; V176-F223 HydrophobicContact CB-CE2 4.34Å; V176-F223 HydrophobicContact CG1-CE2 4.32Å; V176-F223 HydrophobicContact CG2-CD2 4.21Å; V176-F223 HydrophobicContact CG2-CE2 3.78Å; V176-F223 HydrophobicContact CG2-CZ 4.38Å; N220-F223 PolarHBondContact O-N 3.33Å; T221-F223 VanDerWaalsContact C-N 3.29Å; T221-F223 PolarHBondContact O-N 3.03Å; F223-K227 VanDerWaalsContact O-CB 3.23Å; F223-K227 WeakPolarHBondContact O-CB 3.4Å; F223-K227 PolarHBondContact O-N 3.01Å; F223-I246 HydrophobicContact CD1-CD1 3.93Å; F223-I246 HydrophobicContact CE1-CD1 3.73Å
224	D	93.2	Very high	91.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.7	-41.4	178	-158.9	27.6	0	0	0	111.8	K32 Q36 R173 N220 T221 P222 K227 S228 K265	K32-D224 WeakPolarHBondContact CE-OD2 3.32Å; K32-D224 VanDerWaalsContact NZ-CG 3.35Å; K32-D224 IonicContact NZ-OD1 2.8Å; K32-D224 PolarHBondContact NZ-OD1 3.45Å; K32-D224 IonicContact NZ-OD2 2.78Å; K32-D224 PolarHBondContact NZ-OD2 3.39Å; Q36-D224 VanDerWaalsContact NE2-CG 3.3Å; Q36-D224 PolarHBondContact NE2-OD2 3.25Å; R173-D224 WeakPolarHBondContact CD-OD1 3.05Å; R173-D224 HydrophobicContact CG-CB 4.03Å; N220-D224 WeakPolarHBondContact O-CB 3.47Å; N220-D224 PolarHBondContact O-N 2.98Å; T221-D224 WeakPolarHBondContact O-CA 3.35Å; T221-D224 WeakPolarHBondContact O-CB 3.45Å; T221-D224 PolarHBondContact O-N 2.89Å; P222-D224 VanDerWaalsContact C-N 3.32Å; P222-D224 PolarHBondContact O-N 3.46Å; D224-K227 PolarHBondContact O-N 3.44Å; D224-S228 WeakPolarHBondContact O-CB 3.4Å; D224-S228 PolarHBondContact O-N 3.35Å; D224-S228 PolarHBondContact O-OG 3.37Å; D224-K265 IonicContact OD2-NZ 4Å; D224-K265 PolarHBondContact OD2-NZ 3.26Å
225	V	93.2	Very high	90.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-48	173.3	173	0	0	0	0	110.5	Q36 T221 S228 R229 I249 L258 K260	Q36-V225 HydrophobicContact CG-CG2 4.03Å; T221-V225 HydrophobicContact CG2-CG2 4.31Å; T221-V225 PolarHBondContact O-N 3.13Å; V225-S228 PolarHBondContact O-N 3.32Å; V225-R229 WeakPolarHBondContact O-CG 3.25Å; V225-R229 PolarHBondContact O-N 2.72Å; V225-I249 HydrophobicContact CG1-CD1 4.27Å; V225-L258 VanDerWaalsContact CG2-O 3.28Å; V225-L258 WeakPolarHBondContact CG2-O 3.41Å; V225-K260 HydrophobicContact CG2-CB 4.47Å; V225-K260 WeakPolarHBondContact CG2-O 3.37Å
226	V	93.5	Very high	89.1	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-47	179.6	172	0	0	0	0	111	S169 P222 S228 R229 I230 S245 I246 I249 L258	S169-V226 WeakPolarHBondContact OG-CG1 3.05Å; P222-V226 WeakPolarHBondContact O-CG2 3.1Å; P222-V226 PolarHBondContact O-N 3.11Å; V226-S228 PolarHBondContact O-N 3.03Å; V226-R229 PolarHBondContact O-N 3.17Å; V226-I230 HydrophobicContact CG1-CD1 3.57Å; V226-I230 HydrophobicContact CG1-CG1 4.34Å; V226-I230 WeakPolarHBondContact O-CB 3.34Å; V226-I230 VanDerWaalsContact O-CG1 3.31Å; V226-I230 WeakPolarHBondContact O-CG1 3.43Å; V226-I230 PolarHBondContact O-N 3.33Å; V226-S245 VanDerWaalsContact CG1-CB 3.46Å; V226-I246 HydrophobicContact CG2-CB 4.43Å; V226-I246 HydrophobicContact CG2-CG1 3.48Å; V226-I246 VanDerWaalsContact CG2-CG1 3.48Å; V226-I249 HydrophobicContact CG2-CD1 3.69Å; V226-L258 HydrophobicContact CG2-CD2 4.49Å
227	K	92.9	Very high	88.4	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-53.9	-54.5	174.7	175.8	-156.8	154.9	-165.9	0	110.4	E125 C170 F223 D224 R229 I230 Q231	E125-K227 IonicContact OE2-NZ 2.8Å; E125-K227 PolarHBondContact OE2-NZ 2.87Å; C170-K227 HydrophobicContact CB-CD 4.28Å; C170-K227 HydrophobicContact CB-CG 4.45Å; F223-K227 VanDerWaalsContact O-CB 3.23Å; F223-K227 WeakPolarHBondContact O-CB 3.4Å; F223-K227 PolarHBondContact O-N 3.01Å; D224-K227 PolarHBondContact O-N 3.44Å; K227-R229 VanDerWaalsContact C-N 3.29Å; K227-R229 PolarHBondContact O-N 3.47Å; K227-I230 PolarHBondContact O-N 2.98Å; K227-Q231 HydrophobicContact CG-CG 4.39Å; K227-Q231 WeakPolarHBondContact O-CB 3.46Å; K227-Q231 WeakPolarHBondContact O-CG 3.44Å; K227-Q231 PolarHBondContact O-N 2.85Å
228	S	92	Very high	88	Confident	2 Å²	2	33 Å²	33	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-37.9	-177.2	-68.9	0	0	0	0	112	Q36 V129 D224 V225 V226 A232	Q36-S228 PolarHBondContact OE1-OG 3.14Å; V129-S228 WeakPolarHBondContact CG1-O 3.24Å; D224-S228 WeakPolarHBondContact O-CB 3.4Å; D224-S228 PolarHBondContact O-N 3.35Å; D224-S228 PolarHBondContact O-OG 3.37Å; V225-S228 PolarHBondContact O-N 3.32Å; V226-S228 PolarHBondContact O-N 3.03Å; S228-A232 WeakPolarHBondContact O-CB 3.4Å; S228-A232 PolarHBondContact O-N 3.13Å
229	R	91.6	Very high	87.5	Confident	4 Å²	4	30 Å²	30	2%	0.015	16%	0.161	C	C	.	.	H	α-helix	trans	-70.1	-42.3	176	-72.1	179.4	179.2	-149.4	1.9	113.2	Q36 Q38 V225 V226 K227 S233 Y239 E253	Q36-R229 WeakPolarHBondContact O-CG 3.29Å; Q36-R229 PolarHBondContact O-NE 3.49Å; Q36-R229 VanDerWaalsContact O-NE 3.12Å; Q38-R229 PolarHBondContact O-NH2 2.96Å; V225-R229 WeakPolarHBondContact O-CG 3.25Å; V225-R229 PolarHBondContact O-N 2.72Å; V226-R229 PolarHBondContact O-N 3.17Å; K227-R229 VanDerWaalsContact C-N 3.29Å; K227-R229 PolarHBondContact O-N 3.47Å; R229-S233 VanDerWaalsContact O-CB 3.3Å; R229-S233 WeakPolarHBondContact O-CB 3.35Å; R229-S233 PolarHBondContact O-N 2.89Å; R229-S233 PolarHBondContact O-OG 2.93Å; R229-Y239 HydrophobicContact CB-CD2 4.12Å; R229-Y239 HydrophobicContact CB-CE2 3.98Å; R229-Y239 PolarHBondContact NH1-OH 2.8Å; R229-E253 IonicContact CZ-OE1 3.25Å; R229-E253 VanDerWaalsContact CZ-OE1 3.25Å; R229-E253 IonicContact CZ-OE2 3.7Å; R229-E253 IonicContact NH1-OE1 2.62Å; R229-E253 PolarHBondContact NH1-OE1 2.95Å; R229-E253 IonicContact NH1-OE2 3.74Å; R229-E253 VanDerWaalsContact NH2-CD 3.26Å; R229-E253 IonicContact NH2-OE1 3.06Å; R229-E253 PolarHBondContact NH2-OE1 2.86Å; R229-E253 IonicContact NH2-OE2 2.76Å; R229-E253 PolarHBondContact NH2-OE2 3.45Å
230	I	90.6	Very high	86.9	Confident	4 Å²	4	37 Å²	37	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-46.8	175.5	-71.2	167.7	0	0	0	109.8	R165 S169 V226 K227 S233 Y239	R165-I230 WeakPolarHBondContact CD-O 3.3Å; R165-I230 HydrophobicContact CG-CG2 3.45Å; R165-I230 VanDerWaalsContact CG-CG2 3.45Å; S169-I230 WeakPolarHBondContact OG-CD1 3.23Å; V226-I230 HydrophobicContact CG1-CD1 3.57Å; V226-I230 HydrophobicContact CG1-CG1 4.34Å; V226-I230 WeakPolarHBondContact O-CB 3.34Å; V226-I230 VanDerWaalsContact O-CG1 3.31Å; V226-I230 WeakPolarHBondContact O-CG1 3.43Å; V226-I230 PolarHBondContact O-N 3.33Å; K227-I230 PolarHBondContact O-N 2.98Å; I230-S233 PolarHBondContact O-N 3.28Å; I230-Y239 HydrophobicContact CG1-CG 4.46Å
231	Q	90.2	Very high	86.5	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-74.2	-30.7	-176.5	-71.1	180	-18.6	0	0	114	N122 T126 V129 R165 K227 S233	N122-Q231 PolarHBondContact OD1-NE2 3.09Å; T126-Q231 HydrophobicContact CG2-CG 4.43Å; T126-Q231 PolarHBondContact OG1-NE2 2.82Å; V129-Q231 HydrophobicContact CB-CB 4.01Å; V129-Q231 HydrophobicContact CG1-CB 3.85Å; V129-Q231 HydrophobicContact CG2-CB 4.49Å; R165-Q231 WeakPolarHBondContact O-CG 3.31Å; R165-Q231 PolarHBondContact O-NE2 2.93Å; K227-Q231 HydrophobicContact CG-CG 4.39Å; K227-Q231 WeakPolarHBondContact O-CB 3.46Å; K227-Q231 WeakPolarHBondContact O-CG 3.44Å; K227-Q231 PolarHBondContact O-N 2.85Å; Q231-S233 VanDerWaalsContact C-N 3.33Å
232	A	87.2	Confident	86.3	Confident	14 Å²	14	41 Å²	41	12%	0.116	21%	0.208	C	C	.	.	H	α-helix	trans	-73.6	-27.2	174.9	0	0	0	0	0	112.8	I37 V129 R130 A133 S228	I37-A232 HydrophobicContact CB-CB 4.42Å; I37-A232 HydrophobicContact CG2-CB 3.61Å; V129-A232 HydrophobicContact CG1-CB 3.9Å; R130-A232 PolarHBondContact NH1-O 3.25Å; R130-A232 VanDerWaalsContact NH1-O 3.14Å; A133-A232 HydrophobicContact CB-CB 3.8Å; S228-A232 WeakPolarHBondContact O-CB 3.4Å; S228-A232 PolarHBondContact O-N 3.13Å
233	S	83.1	Confident	86.1	Confident	36 Å²	36	46.4 Å²	46.4	25%	0.252	24%	0.236	S	C	.	.	S	Bend	trans	-83.3	143.8	-174.9	-57.4	0	0	0	0	112.5	R165 R229 I230 Q231 S237	R165-S233 PolarHBondContact NH1-O 3.12Å; R229-S233 VanDerWaalsContact O-CB 3.3Å; R229-S233 WeakPolarHBondContact O-CB 3.35Å; R229-S233 PolarHBondContact O-N 2.89Å; R229-S233 PolarHBondContact O-OG 2.93Å; I230-S233 PolarHBondContact O-N 3.28Å; Q231-S233 VanDerWaalsContact C-N 3.33Å; S233-S237 VanDerWaalsContact CB-CB 3.4Å; S233-S237 WeakPolarHBondContact CB-OG 3.39Å; S233-S237 PolarHBondContact OG-OG 2.91Å
234	G	74.5	Confident	86.1	Confident	29 Å²	29	47.7 Å²	47.7	30%	0.299	24%	0.243	S	C	.	.			trans	-73	-176.4	175.6	0	0	0	0	0	113.3	R165 D236 S237	R165-G234 PolarHBondContact NH1-O 3.22Å; R165-G234 PolarHBondContact NH2-O 2.9Å; G234-D236 PolarHBondContact O-N 3.43Å; G234-D236 VanDerWaalsContact O-N 3.15Å; G234-S237 WeakPolarHBondContact O-CB 3.5Å; G234-S237 PolarHBondContact O-N 3.48Å
235	R	70	Confident	86	Confident	168 Å²	168	47.7 Å²	47.7	63%	0.634	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-41.1	-171.4	-167.6	168.4	170.8	162.1	-10	112.8	E155 R165 S237	E155-R235 PolarHBondContact O-NH1 3.37Å; R165-R235 PolarHBondContact NH2-O 2.75Å; R235-S237 PolarHBondContact O-N 3.04Å; R235-S237 VanDerWaalsContact O-N 3.12Å
236	D	70.8	Confident	86	Confident	161 Å²	161	49.4 Å²	49.4	86%	0.861	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	29.8	-176.5	-56	-40.7	0	0	0	114.8	G234	G234-D236 PolarHBondContact O-N 3.43Å; G234-D236 VanDerWaalsContact O-N 3.15Å
237	S	77.5	Confident	86	Confident	19 Å²	19	53.9 Å²	53.9	13%	0.133	28%	0.279	C	S	.	.			trans	-67.4	139.4	178.3	-173.8	0	0	0	0	112.5	S233 G234 R235 Y239	S233-S237 VanDerWaalsContact CB-CB 3.4Å; S233-S237 WeakPolarHBondContact CB-OG 3.39Å; S233-S237 PolarHBondContact OG-OG 2.91Å; G234-S237 WeakPolarHBondContact O-CB 3.5Å; G234-S237 PolarHBondContact O-N 3.48Å; R235-S237 PolarHBondContact O-N 3.04Å; R235-S237 VanDerWaalsContact O-N 3.12Å; S237-Y239 PolarHBondContact O-N 2.9Å; S237-Y239 VanDerWaalsContact O-N 3.14Å; S237-Y239 WeakPolarHBondContact OG-CD2 3.38Å; S237-Y239 PolarHBondContact OG-N 3.43Å
238	K	84.6	Confident	86	Confident	92 Å²	92	55 Å²	55	40%	0.4	29%	0.285	S	S	.	.	S	Bend	trans	-61.3	-17	168.7	66.6	-176.9	-171.3	166.4	0	113.6	Q244 L248 D252	K238-Q244 PolarHBondContact O-NE2 2.96Å; K238-Q244 VanDerWaalsContact O-NE2 3.13Å; K238-L248 HydrophobicContact CD-CD2 3.61Å; K238-L248 HydrophobicContact CG-CD2 3.99Å; K238-D252 IonicContact NZ-OD2 2.95Å; K238-D252 PolarHBondContact NZ-OD2 3.34Å
239	Y	83.7	Confident	86	Confident	7 Å²	7	55 Å²	55	3%	0.027	28%	0.284	C	S	.	.			trans	-96.8	103.1	-176.3	-56.4	-62.9	0	0	0	111.3	R229 I230 S237 S245 L248 I249	R229-Y239 HydrophobicContact CB-CD2 4.12Å; R229-Y239 HydrophobicContact CB-CE2 3.98Å; R229-Y239 PolarHBondContact NH1-OH 2.8Å; I230-Y239 HydrophobicContact CG1-CG 4.46Å; S237-Y239 PolarHBondContact O-N 2.9Å; S237-Y239 VanDerWaalsContact O-N 3.14Å; S237-Y239 WeakPolarHBondContact OG-CD2 3.38Å; S237-Y239 PolarHBondContact OG-N 3.43Å; Y239-S245 WeakPolarHBondContact CA-OG 3.48Å; Y239-S245 WeakPolarHBondContact CB-OG 3.49Å; Y239-L248 HydrophobicContact CD1-CD2 4.11Å; Y239-L248 HydrophobicContact CE1-CD2 3.43Å; Y239-L248 VanDerWaalsContact CE1-CD2 3.43Å; Y239-I249 HydrophobicContact CE1-CD1 4.23Å; Y239-I249 HydrophobicContact CE1-CG1 3.72Å
240	K	79.3	Confident	86.1	Confident	171 Å²	171	61.2 Å²	61.2	74%	0.743	31%	0.309	S	S	*	.			trans	-101.5	-49.7	-179.9	-60.2	-176	178.2	-177.8	0	112.8	Q244	K240-Q244 VanDerWaalsContact N-OE1 3.08Å
241	T	85.5	Confident	86.2	Confident	74 Å²	74	70 Å²	70	45%	0.454	34%	0.341	S	S	.	.	S	Bend	trans	-121	158.1	-178	70.9	0	0	0	0	111.6	L243 Q244 S245	T241-L243 PolarHBondContact O-N 2.79Å; T241-Q244 WeakPolarHBondContact OG1-CB 3.22Å; T241-Q244 PolarHBondContact OG1-N 3.22Å; T241-S245 WeakPolarHBondContact O-CB 3.41Å; T241-S245 PolarHBondContact O-N 3.24Å; T241-S245 PolarHBondContact O-OG 3.49Å
242	C	89.1	Confident	86.2	Confident	11 Å²	11	72.4 Å²	72.4	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-57.9	-50.9	-178.8	-171.2	0	0	0	0	112	S169 S245 I246	S169-C242 VanDerWaalsContact OG-CB 3.24Å; S169-C242 WeakPolarHBondContact OG-CB 3.18Å; S169-C242 PolarHBondContact OG-SG 3.15Å; C242-S245 PolarHBondContact O-N 3.42Å; C242-I246 WeakPolarHBondContact O-CG1 3.39Å; C242-I246 PolarHBondContact O-N 2.9Å
243	L	91.7	Very high	86.4	Confident	131 Å²	131	73 Å²	73	69%	0.686	36%	0.355	S	S	*	.	H	α-helix	trans	-66.6	-46.6	-177.6	-66.1	178	0	0	0	112.2	T241 S245 I246 V247	T241-L243 PolarHBondContact O-N 2.79Å; L243-S245 PolarHBondContact O-N 3.23Å; L243-I246 PolarHBondContact O-N 2.99Å; L243-V247 WeakPolarHBondContact O-CG2 3.22Å; L243-V247 PolarHBondContact O-N 3.31Å
244	Q	93.3	Very high	86.8	Confident	72 Å²	72	72.7 Å²	72.7	34%	0.336	36%	0.357	S	S	.	.	H	α-helix	trans	-57.7	-41.6	176.3	-177.3	-130.6	-11.7	0	0	110.8	K238 K240 T241 V247 L248	K238-Q244 PolarHBondContact O-NE2 2.96Å; K238-Q244 VanDerWaalsContact O-NE2 3.13Å; K240-Q244 VanDerWaalsContact N-OE1 3.08Å; T241-Q244 WeakPolarHBondContact OG1-CB 3.22Å; T241-Q244 PolarHBondContact OG1-N 3.22Å; Q244-V247 PolarHBondContact O-N 3.18Å; Q244-L248 VanDerWaalsContact O-CB 3.26Å; Q244-L248 WeakPolarHBondContact O-CB 3.47Å; Q244-L248 PolarHBondContact O-N 3.1Å
245	S	92.2	Very high	87.5	Confident	0 Å²	0	77 Å²	77	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-69.6	-36.9	-180	-57.5	0	0	0	0	112.5	V226 Y239 T241 C242 L243 L248 I249	V226-S245 VanDerWaalsContact CG1-CB 3.46Å; Y239-S245 WeakPolarHBondContact CA-OG 3.48Å; Y239-S245 WeakPolarHBondContact CB-OG 3.49Å; T241-S245 WeakPolarHBondContact O-CB 3.41Å; T241-S245 PolarHBondContact O-N 3.24Å; T241-S245 PolarHBondContact O-OG 3.49Å; C242-S245 PolarHBondContact O-N 3.42Å; L243-S245 PolarHBondContact O-N 3.23Å; S245-L248 PolarHBondContact O-N 3.16Å; S245-I249 WeakPolarHBondContact O-CB 3.5Å; S245-I249 WeakPolarHBondContact O-CD1 3.36Å; S245-I249 WeakPolarHBondContact O-CG1 3.28Å; S245-I249 PolarHBondContact O-N 3.37Å
246	I	92.8	Very high	88.6	Confident	36 Å²	36	79.6 Å²	79.6	19%	0.185	38%	0.378	C	S	.	.	H	α-helix	trans	-58.9	-51.3	172.5	-71.6	167.7	0	0	0	110	F223 V226 C242 L243 L248 I249 Y250 L258	F223-I246 HydrophobicContact CD1-CD1 3.93Å; F223-I246 HydrophobicContact CE1-CD1 3.73Å; V226-I246 HydrophobicContact CG2-CB 4.43Å; V226-I246 HydrophobicContact CG2-CG1 3.48Å; V226-I246 VanDerWaalsContact CG2-CG1 3.48Å; C242-I246 WeakPolarHBondContact O-CG1 3.39Å; C242-I246 PolarHBondContact O-N 2.9Å; L243-I246 PolarHBondContact O-N 2.99Å; I246-L248 VanDerWaalsContact C-N 3.3Å; I246-L248 PolarHBondContact O-N 3.35Å; I246-I249 PolarHBondContact O-N 2.86Å; I246-Y250 WeakPolarHBondContact O-CB 3.21Å; I246-Y250 PolarHBondContact O-N 2.98Å; I246-L258 HydrophobicContact CG2-CD1 4.36Å; I246-L258 HydrophobicContact CG2-CD2 4.46Å
247	V	94	Very high	89.5	Confident	95 Å²	95	71.9 Å²	71.9	58%	0.576	34%	0.337	S	S	*	.	H	α-helix	trans	-60.4	-43.3	-179.5	174.1	0	0	0	0	110.7	L243 Q244 Y250 R251	L243-V247 WeakPolarHBondContact O-CG2 3.22Å; L243-V247 PolarHBondContact O-N 3.31Å; Q244-V247 PolarHBondContact O-N 3.18Å; V247-Y250 PolarHBondContact O-N 3.3Å; V247-R251 WeakPolarHBondContact O-CB 3.33Å; V247-R251 PolarHBondContact O-N 3.44Å
248	L	93.1	Very high	90.3	Very high	26 Å²	26	71.5 Å²	71.5	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-67.5	-40.9	-178.7	-166	135.9	0	0	0	112.2	K238 Y239 Q244 S245 I246 R251 D252	K238-L248 HydrophobicContact CD-CD2 3.61Å; K238-L248 HydrophobicContact CG-CD2 3.99Å; Y239-L248 HydrophobicContact CD1-CD2 4.11Å; Y239-L248 HydrophobicContact CE1-CD2 3.43Å; Y239-L248 VanDerWaalsContact CE1-CD2 3.43Å; Q244-L248 VanDerWaalsContact O-CB 3.26Å; Q244-L248 WeakPolarHBondContact O-CB 3.47Å; Q244-L248 PolarHBondContact O-N 3.1Å; S245-L248 PolarHBondContact O-N 3.16Å; I246-L248 VanDerWaalsContact C-N 3.3Å; I246-L248 PolarHBondContact O-N 3.35Å; L248-R251 PolarHBondContact O-N 2.66Å; L248-D252 WeakPolarHBondContact CD2-OD2 3.45Å; L248-D252 VanDerWaalsContact O-CB 3.25Å; L248-D252 WeakPolarHBondContact O-CB 3.49Å; L248-D252 PolarHBondContact O-N 3.05Å
249	I	92.2	Very high	90.8	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-42.7	174.7	-64.4	166.1	0	0	0	110.8	V225 V226 Y239 S245 I246 R251 E253 G254 A257 L258	V225-I249 HydrophobicContact CG1-CD1 4.27Å; V226-I249 HydrophobicContact CG2-CD1 3.69Å; Y239-I249 HydrophobicContact CE1-CD1 4.23Å; Y239-I249 HydrophobicContact CE1-CG1 3.72Å; S245-I249 WeakPolarHBondContact O-CB 3.5Å; S245-I249 WeakPolarHBondContact O-CD1 3.36Å; S245-I249 WeakPolarHBondContact O-CG1 3.28Å; S245-I249 PolarHBondContact O-N 3.37Å; I246-I249 PolarHBondContact O-N 2.86Å; I249-R251 VanDerWaalsContact C-N 3.33Å; I249-R251 PolarHBondContact O-N 3.36Å; I249-E253 PolarHBondContact O-N 3.37Å; I249-G254 PolarHBondContact O-N 3.24Å; I249-A257 HydrophobicContact CG2-CB 3.77Å; I249-L258 HydrophobicContact CB-CD2 4.05Å; I249-L258 HydrophobicContact CD1-CD2 4.42Å; I249-L258 HydrophobicContact CG2-CD2 3.81Å; I249-L258 HydrophobicContact CG2-CG 4.25Å
250	Y	92.9	Very high	91.1	Very high	136 Å²	136	71.6 Å²	71.6	53%	0.533	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-43.2	178.2	179.9	-95.3	0	0	0	111.6	I246 V247 G254 F255 L258	I246-Y250 WeakPolarHBondContact O-CB 3.21Å; I246-Y250 PolarHBondContact O-N 2.98Å; V247-Y250 PolarHBondContact O-N 3.3Å; Y250-G254 WeakPolarHBondContact O-CA 3.32Å; Y250-G254 PolarHBondContact O-N 3.38Å; Y250-F255 HydrophobicContact CD2-CB 4.19Å; Y250-F255 HydrophobicContact CD2-CD2 4.34Å; Y250-F255 HydrophobicContact CE2-CB 3.86Å; Y250-F255 HydrophobicContact CE2-CD2 4.09Å; Y250-F255 HydrophobicContact CE2-CG 4.47Å; Y250-L258 HydrophobicContact CD2-CD1 4.43Å
251	R	92.5	Very high	91.6	Very high	187 Å²	187	63.7 Å²	63.7	71%	0.706	30%	0.299	S	S	*	.	H	α-helix	trans	-70.2	-45.4	179.2	-169.2	-171.8	70.3	165	4.4	112.6	V247 L248 I249	V247-R251 WeakPolarHBondContact O-CB 3.33Å; V247-R251 PolarHBondContact O-N 3.44Å; L248-R251 PolarHBondContact O-N 2.66Å; I249-R251 VanDerWaalsContact C-N 3.33Å; I249-R251 PolarHBondContact O-N 3.36Å
252	D	90.9	Very high	91.9	Very high	56 Å²	56	61.6 Å²	61.6	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-82.1	-33.6	-172.5	-63	-1.7	0	0	0	112.3	K238 L248	K238-D252 IonicContact NZ-OD2 2.95Å; K238-D252 PolarHBondContact NZ-OD2 3.34Å; L248-D252 WeakPolarHBondContact CD2-OD2 3.45Å; L248-D252 VanDerWaalsContact O-CB 3.25Å; L248-D252 WeakPolarHBondContact O-CB 3.49Å; L248-D252 PolarHBondContact O-N 3.05Å
253	E	90.6	Very high	92.1	Very high	26 Å²	26	65.4 Å²	65.4	12%	0.121	31%	0.308	C	S	.	.	H	α-helix	trans	-125.9	-5.5	-172.2	-67.4	-177.9	-135.9	0	0	115	H39 S40 R229 I249 A257 K260	H39-E253 IonicContact CD2-OE1 3.05Å; H39-E253 PolarHBondContact CD2-OE1 2.99Å; H39-E253 IonicContact CG-OE1 2.88Å; S40-E253 PolarHBondContact N-OE2 2.94Å; S40-E253 PolarHBondContact OG-OE2 3.14Å; S40-E253 VanDerWaalsContact OG-OE2 3.06Å; R229-E253 IonicContact CZ-OE1 3.25Å; R229-E253 VanDerWaalsContact CZ-OE1 3.25Å; R229-E253 IonicContact CZ-OE2 3.7Å; R229-E253 IonicContact NH1-OE1 2.62Å; R229-E253 PolarHBondContact NH1-OE1 2.95Å; R229-E253 IonicContact NH1-OE2 3.74Å; R229-E253 VanDerWaalsContact NH2-CD 3.26Å; R229-E253 IonicContact NH2-OE1 3.06Å; R229-E253 PolarHBondContact NH2-OE1 2.86Å; R229-E253 IonicContact NH2-OE2 2.76Å; R229-E253 PolarHBondContact NH2-OE2 3.45Å; I249-E253 PolarHBondContact O-N 3.37Å; E253-A257 HydrophobicContact CB-CB 3.47Å; E253-A257 VanDerWaalsContact CB-CB 3.47Å; E253-K260 IonicContact OE2-NZ 2.73Å; E253-K260 PolarHBondContact OE2-NZ 2.98Å
254	G	90.9	Very high	92	Very high	29 Å²	29	59.4 Å²	59.4	30%	0.299	28%	0.277	S	S	.	.			trans	81.7	170.7	-179.3	0	0	0	0	0	115.1	I249 Y250 R256 A257	I249-G254 PolarHBondContact O-N 3.24Å; Y250-G254 WeakPolarHBondContact O-CA 3.32Å; Y250-G254 PolarHBondContact O-N 3.38Å; G254-R256 VanDerWaalsContact C-N 3.3Å; G254-R256 PolarHBondContact O-N 3.11Å; G254-A257 WeakPolarHBondContact O-CB 3.43Å; G254-A257 PolarHBondContact O-N 3.44Å; G254-A257 VanDerWaalsContact O-N 3.1Å
255	F	90.8	Very high	91.9	Very high	119 Å²	119	56.9 Å²	56.9	52%	0.522	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-55.9	-38.9	-175.8	-177.1	-104.4	0	0	0	114.1	Y250 A257 L258 Y259	Y250-F255 HydrophobicContact CD2-CB 4.19Å; Y250-F255 HydrophobicContact CD2-CD2 4.34Å; Y250-F255 HydrophobicContact CE2-CB 3.86Å; Y250-F255 HydrophobicContact CE2-CD2 4.09Å; Y250-F255 HydrophobicContact CE2-CG 4.47Å; F255-A257 PolarHBondContact O-N 3.33Å; F255-L258 WeakPolarHBondContact O-CB 3.25Å; F255-L258 PolarHBondContact O-N 3.43Å; F255-L258 VanDerWaalsContact O-N 3.15Å; F255-Y259 HydrophobicContact CD1-CD2 4.49Å; F255-Y259 HydrophobicContact CD1-CE2 4.37Å; F255-Y259 HydrophobicContact CE1-CD2 4.07Å; F255-Y259 AromaticContact CE1-CE2 3.65Å; F255-Y259 HydrophobicContact CE1-CE2 3.65Å; F255-Y259 AromaticContact CE2-CE2 3.82Å; F255-Y259 HydrophobicContact CE2-CE2 3.82Å; F255-Y259 HydrophobicContact CZ-CD2 4.21Å; F255-Y259 AromaticContact CZ-CE2 3.35Å; F255-Y259 HydrophobicContact CZ-CE2 3.35Å
256	R	91.9	Very high	91.8	Very high	223 Å²	223	59.3 Å²	59.3	84%	0.842	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-62.9	-25.1	-178.4	-66.6	-177.9	-179.6	177.3	0.4	112.5	G254 L258 Y259	G254-R256 VanDerWaalsContact C-N 3.3Å; G254-R256 PolarHBondContact O-N 3.11Å; R256-L258 VanDerWaalsContact C-N 3.29Å; R256-L258 PolarHBondContact O-N 3.2Å; R256-Y259 PolarHBondContact O-N 2.9Å
257	A	91	Very high	91.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-66.4	-31	178.4	0	0	0	0	0	112.8	I249 E253 G254 F255 Y259 K260	I249-A257 HydrophobicContact CG2-CB 3.77Å; E253-A257 HydrophobicContact CB-CB 3.47Å; E253-A257 VanDerWaalsContact CB-CB 3.47Å; G254-A257 WeakPolarHBondContact O-CB 3.43Å; G254-A257 PolarHBondContact O-N 3.44Å; G254-A257 VanDerWaalsContact O-N 3.1Å; F255-A257 PolarHBondContact O-N 3.33Å; A257-Y259 PolarHBondContact O-N 2.9Å; A257-K260 HydrophobicContact CB-CD 4.47Å; A257-K260 WeakPolarHBondContact O-CB 3.23Å; A257-K260 WeakPolarHBondContact O-CG 3.48Å; A257-K260 PolarHBondContact O-N 3.24Å
258	L	93.5	Very high	91.5	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.052	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-69	-12.9	176.8	-65.7	172.4	0	0	0	113.4	T221 P222 V225 V226 I246 I249 Y250 F255 R256	T221-L258 CarbonylContact C-O 3.5Å; P222-L258 WeakPolarHBondContact CA-O 3.38Å; P222-L258 HydrophobicContact CB-CB 4.2Å; P222-L258 HydrophobicContact CG-CB 4.42Å; V225-L258 VanDerWaalsContact CG2-O 3.28Å; V225-L258 WeakPolarHBondContact CG2-O 3.41Å; V226-L258 HydrophobicContact CG2-CD2 4.49Å; I246-L258 HydrophobicContact CG2-CD1 4.36Å; I246-L258 HydrophobicContact CG2-CD2 4.46Å; I249-L258 HydrophobicContact CB-CD2 4.05Å; I249-L258 HydrophobicContact CD1-CD2 4.42Å; I249-L258 HydrophobicContact CG2-CD2 3.81Å; I249-L258 HydrophobicContact CG2-CG 4.25Å; Y250-L258 HydrophobicContact CD2-CD1 4.43Å; F255-L258 WeakPolarHBondContact O-CB 3.25Å; F255-L258 PolarHBondContact O-N 3.43Å; F255-L258 VanDerWaalsContact O-N 3.15Å; R256-L258 VanDerWaalsContact C-N 3.29Å; R256-L258 PolarHBondContact O-N 3.2Å
259	Y	94.2	Very high	91.1	Very high	71 Å²	71	61.4 Å²	61.4	28%	0.278	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-111.5	12.1	178.8	-68.1	-89.6	0	0	0	113.1	L218 T221 P222 F255 R256 A257 G261 L262	L218-Y259 WeakPolarHBondContact O-CE1 3.3Å; T221-Y259 HydrophobicContact CG2-CD1 4.37Å; P222-Y259 HydrophobicContact CG-CE1 4.22Å; P222-Y259 HydrophobicContact CG-CE2 4.22Å; F255-Y259 HydrophobicContact CD1-CD2 4.49Å; F255-Y259 HydrophobicContact CD1-CE2 4.37Å; F255-Y259 HydrophobicContact CE1-CD2 4.07Å; F255-Y259 AromaticContact CE1-CE2 3.65Å; F255-Y259 HydrophobicContact CE1-CE2 3.65Å; F255-Y259 AromaticContact CE2-CE2 3.82Å; F255-Y259 HydrophobicContact CE2-CE2 3.82Å; F255-Y259 HydrophobicContact CZ-CD2 4.21Å; F255-Y259 AromaticContact CZ-CE2 3.35Å; F255-Y259 HydrophobicContact CZ-CE2 3.35Å; R256-Y259 PolarHBondContact O-N 2.9Å; A257-Y259 PolarHBondContact O-N 2.9Å; Y259-G261 PolarHBondContact O-N 3.3Å; Y259-L262 HydrophobicContact CD1-CD2 4.22Å; Y259-L262 VanDerWaalsContact O-CB 3.25Å; Y259-L262 WeakPolarHBondContact O-CB 3.47Å; Y259-L262 PolarHBondContact O-N 3.33Å; Y259-L262 VanDerWaalsContact O-N 3.1Å
260	K	90.7	Very high	90.6	Very high	31 Å²	31	61.9 Å²	61.9	14%	0.135	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	131.2	172.4	-75.5	174.4	175.8	173.8	0	110.1	F35 Q36 Q38 H39 S40 V225 E253 A257	F35-K260 WeakPolarHBondContact O-CB 3.29Å; Q36-K260 VanDerWaalsContact CG-O 3.24Å; Q36-K260 WeakPolarHBondContact CG-O 3.3Å; Q38-K260 HydrophobicContact CG-CD 4.47Å; Q38-K260 PolarHBondContact O-NZ 3.48Å; H39-K260 VanDerWaalsContact C-NZ 3.31Å; S40-K260 WeakPolarHBondContact OG-CE 3.37Å; S40-K260 PolarHBondContact OG-NZ 2.65Å; V225-K260 HydrophobicContact CG2-CB 4.47Å; V225-K260 WeakPolarHBondContact CG2-O 3.37Å; E253-K260 IonicContact OE2-NZ 2.73Å; E253-K260 PolarHBondContact OE2-NZ 2.98Å; A257-K260 HydrophobicContact CB-CD 4.47Å; A257-K260 WeakPolarHBondContact O-CB 3.23Å; A257-K260 WeakPolarHBondContact O-CG 3.48Å; A257-K260 PolarHBondContact O-N 3.24Å
261	G	89.3	Confident	90.4	Very high	5 Å²	5	58.4 Å²	58.4	5%	0.052	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	5.3	-176.8	0	0	0	0	0	114.9	Y259 P264 K265	Y259-G261 PolarHBondContact O-N 3.3Å; G261-P264 WeakPolarHBondContact O-CD 3.32Å; G261-P264 WeakPolarHBondContact O-CG 3.39Å; G261-K265 VanDerWaalsContact O-CB 3.31Å; G261-K265 WeakPolarHBondContact O-CB 3.45Å; G261-K265 PolarHBondContact O-N 3.29Å
262	L	92.5	Very high	90.1	Very high	29 Å²	29	49.7 Å²	49.7	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-44.8	173.6	-179.4	67.1	0	0	0	112.1	C217 L218 T221 Y259 K265 I266	C217-L262 HydrophobicContact CB-CD1 4.21Å; L218-L262 HydrophobicContact CD2-CD1 4.11Å; L218-L262 HydrophobicContact CD2-CD2 3.57Å; L218-L262 HydrophobicContact CD2-CG 4.47Å; T221-L262 HydrophobicContact CG2-CB 4.29Å; T221-L262 HydrophobicContact CG2-CD1 4.49Å; Y259-L262 HydrophobicContact CD1-CD2 4.22Å; Y259-L262 VanDerWaalsContact O-CB 3.25Å; Y259-L262 WeakPolarHBondContact O-CB 3.47Å; Y259-L262 PolarHBondContact O-N 3.33Å; Y259-L262 VanDerWaalsContact O-N 3.1Å; L262-K265 WeakPolarHBondContact O-CB 3.31Å; L262-K265 PolarHBondContact O-N 3.07Å; L262-I266 HydrophobicContact CD1-CD1 3.91Å; L262-I266 HydrophobicContact CD1-CG1 4.17Å; L262-I266 HydrophobicContact CD2-CD1 4.31Å; L262-I266 HydrophobicContact CG-CD1 3.81Å; L262-I266 HydrophobicContact CG-CG1 4.37Å; L262-I266 WeakPolarHBondContact O-CG1 3.3Å; L262-I266 PolarHBondContact O-N 3.43Å
263	V	92.2	Very high	89.8	Confident	92 Å²	92	48.8 Å²	48.8	56%	0.558	25%	0.249	S	C	*	.	H	α-helix	trans	-57.4	-57.6	-179.4	177	0	0	0	0	112.3	V48 K265 I266 M267	V48-V263 HydrophobicContact CG2-CG1 4.09Å; V263-K265 PolarHBondContact O-N 2.87Å; V263-K265 VanDerWaalsContact O-N 3.16Å; V263-I266 PolarHBondContact O-N 2.92Å; V263-M267 HydrophobicContact CG1-CG 4.37Å; V263-M267 HydrophobicContact CG1-SD 3.97Å; V263-M267 WeakPolarHBondContact O-CG 3.45Å; V263-M267 PolarHBondContact O-N 3.06Å
264	P	91.2	Very high	89.6	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-28	178.9	22.8	-33	0	0	0	112.5	V31 K32 V48 G261 R268	V31-P264 HydrophobicContact CG1-CB 4.4Å; V31-P264 HydrophobicContact CG1-CG 4.45Å; K32-P264 HydrophobicContact CB-CB 4.17Å; K32-P264 HydrophobicContact CB-CG 3.94Å; K32-P264 HydrophobicContact CG-CG 4.47Å; V48-P264 HydrophobicContact CG2-CB 4.27Å; V48-P264 HydrophobicContact CG2-CG 4.43Å; G261-P264 WeakPolarHBondContact O-CD 3.32Å; G261-P264 WeakPolarHBondContact O-CG 3.39Å; P264-R268 WeakPolarHBondContact O-CB 3.48Å; P264-R268 PolarHBondContact O-N 3.06Å
265	K	90.3	Very high	89.6	Confident	20 Å²	20	49.8 Å²	49.8	9%	0.087	25%	0.254	C	S	.	.	H	α-helix	trans	-70.1	-42.7	176.7	-170.4	178.8	-175.6	167	0	113	C217 N220 T221 D224 G261 L262 V263 R268 L269	C217-K265 HydrophobicContact CB-CD 4.29Å; N220-K265 VanDerWaalsContact CG-NZ 3.25Å; N220-K265 PolarHBondContact ND2-NZ 3.38Å; N220-K265 VanDerWaalsContact OD1-CE 3.25Å; N220-K265 WeakPolarHBondContact OD1-CE 3.45Å; N220-K265 PolarHBondContact OD1-NZ 3.47Å; T221-K265 PolarHBondContact OG1-NZ 3.11Å; D224-K265 IonicContact OD2-NZ 4Å; D224-K265 PolarHBondContact OD2-NZ 3.26Å; G261-K265 VanDerWaalsContact O-CB 3.31Å; G261-K265 WeakPolarHBondContact O-CB 3.45Å; G261-K265 PolarHBondContact O-N 3.29Å; L262-K265 WeakPolarHBondContact O-CB 3.31Å; L262-K265 PolarHBondContact O-N 3.07Å; V263-K265 PolarHBondContact O-N 2.87Å; V263-K265 VanDerWaalsContact O-N 3.16Å; K265-R268 PolarHBondContact O-N 2.62Å; K265-L269 PolarHBondContact O-N 2.93Å
266	I	90.9	Very high	89.5	Confident	51 Å²	51	46 Å²	46	26%	0.262	24%	0.239	S	C	.	.	H	α-helix	trans	-68.1	-41	173.7	-65.9	173.3	0	0	0	110.2	F210 C217 L262 V263 R268 L269	F210-I266 HydrophobicContact CZ-CG2 4.17Å; C217-I266 HydrophobicContact CB-CG1 4.37Å; L262-I266 HydrophobicContact CD1-CD1 3.91Å; L262-I266 HydrophobicContact CD1-CG1 4.17Å; L262-I266 HydrophobicContact CD2-CD1 4.31Å; L262-I266 HydrophobicContact CG-CD1 3.81Å; L262-I266 HydrophobicContact CG-CG1 4.37Å; L262-I266 WeakPolarHBondContact O-CG1 3.3Å; L262-I266 PolarHBondContact O-N 3.43Å; V263-I266 PolarHBondContact O-N 2.92Å; I266-R268 PolarHBondContact O-N 3.2Å; I266-L269 WeakPolarHBondContact O-CB 3.11Å; I266-L269 PolarHBondContact O-N 2.76Å; I266-L269 VanDerWaalsContact O-N 3.11Å
267	M	90.6	Very high	89.2	Confident	94 Å²	94	39.4 Å²	39.4	46%	0.463	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-29.9	175.5	-71.5	-180	73.1	0	0	112.9	L28 V48 V263 P271	L28-M267 HydrophobicContact CD1-CB 4.36Å; V48-M267 HydrophobicContact CG2-SD 4.4Å; V263-M267 HydrophobicContact CG1-CG 4.37Å; V263-M267 HydrophobicContact CG1-SD 3.97Å; V263-M267 WeakPolarHBondContact O-CG 3.45Å; V263-M267 PolarHBondContact O-N 3.06Å; M267-P271 WeakPolarHBondContact O-CD 3.42Å; M267-P271 VanDerWaalsContact O-CG 3.31Å; M267-P271 WeakPolarHBondContact O-CG 3.24Å
268	R	89.7	Confident	89.1	Confident	67 Å²	67	45 Å²	45	25%	0.253	25%	0.248	S	C	.	.	H	α-helix	trans	-75.4	-30.5	176.6	-178	-174.4	179	-65.5	-9.7	113.1	E21 M25 L28 D29 P264 K265 I266 G272	E21-R268 IonicContact OE1-CZ 3.91Å; E21-R268 IonicContact OE1-NE 2.87Å; E21-R268 IonicContact OE1-NH1 3.6Å; E21-R268 IonicContact OE1-NH2 3.33Å; E21-R268 PolarHBondContact OE1-NH2 2.98Å; E21-R268 IonicContact OE2-NH2 2.78Å; E21-R268 PolarHBondContact OE2-NH2 3.41Å; M25-R268 HydrophobicContact CB-CG 4.34Å; M25-R268 HydrophobicContact CG-CG 4.34Å; M25-R268 HydrophobicContact SD-CG 4.3Å; L28-R268 HydrophobicContact CD1-CB 4.38Å; D29-R268 WeakPolarHBondContact OD1-CD 3.5Å; D29-R268 IonicContact OD1-CZ 3.5Å; D29-R268 IonicContact OD1-NE 2.72Å; D29-R268 PolarHBondContact OD1-NE 3.28Å; P264-R268 WeakPolarHBondContact O-CB 3.48Å; P264-R268 PolarHBondContact O-N 3.06Å; K265-R268 PolarHBondContact O-N 2.62Å; I266-R268 PolarHBondContact O-N 3.2Å; R268-G272 WeakPolarHBondContact O-CA 3.14Å; R268-G272 PolarHBondContact O-N 3.35Å
269	L	85.2	Confident	89	Confident	39 Å²	39	45.4 Å²	45.4	20%	0.204	25%	0.251	C	S	.	.	H	α-helix	trans	-59.5	-52.8	-171.4	-103.6	158.2	0	0	0	113.2	G213 C217 K265 I266 G273	G213-L269 WeakPolarHBondContact O-CD1 3.31Å; C217-L269 HydrophobicContact CB-CD1 4.36Å; C217-L269 WeakPolarHBondContact SG-CD1 3.45Å; K265-L269 PolarHBondContact O-N 2.93Å; I266-L269 WeakPolarHBondContact O-CB 3.11Å; I266-L269 PolarHBondContact O-N 2.76Å; I266-L269 VanDerWaalsContact O-N 3.11Å; L269-G273 PolarHBondContact O-N 3.39Å; L269-G273 VanDerWaalsContact O-N 3.11Å
270	G	82	Confident	88.8	Confident	10 Å²	10	45.8 Å²	45.8	10%	0.103	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-63.1	-177.9	0	0	0	0	0	112.3	G272 G273 A274	G270-G272 PolarHBondContact O-N 3.05Å; G270-G273 PolarHBondContact O-N 2.9Å; G270-A274 WeakPolarHBondContact O-CB 3.17Å; G270-A274 PolarHBondContact O-N 2.93Å
271	P	87.4	Confident	88.7	Confident	64 Å²	64	49.9 Å²	49.9	42%	0.416	27%	0.272	S	S	.	.	H	α-helix	trans	-57.3	-44.6	179	-26.2	35.9	0	0	0	113.5	M25 M267 G273 A274 I275	M25-P271 HydrophobicContact CE-CB 3.47Å; M25-P271 VanDerWaalsContact CE-CB 3.47Å; M25-P271 HydrophobicContact SD-CB 4.25Å; M267-P271 WeakPolarHBondContact O-CD 3.42Å; M267-P271 VanDerWaalsContact O-CG 3.31Å; M267-P271 WeakPolarHBondContact O-CG 3.24Å; P271-G273 PolarHBondContact O-N 3.36Å; P271-A274 PolarHBondContact O-N 3.49Å; P271-I275 WeakPolarHBondContact O-CB 3.36Å; P271-I275 VanDerWaalsContact O-CG1 3.25Å; P271-I275 WeakPolarHBondContact O-CG1 3.36Å; P271-I275 PolarHBondContact O-N 3.36Å
272	G	87	Confident	88.8	Confident	3 Å²	3	57 Å²	57	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-43.7	179.6	0	0	0	0	0	111.9	E21 R268 G270 L276	E21-G272 WeakPolarHBondContact CG-O 3.47Å; R268-G272 WeakPolarHBondContact O-CA 3.14Å; R268-G272 PolarHBondContact O-N 3.35Å; G270-G272 PolarHBondContact O-N 3.05Å; G272-L276 VanDerWaalsContact O-CB 3.25Å; G272-L276 WeakPolarHBondContact O-CB 3.34Å; G272-L276 PolarHBondContact O-N 2.99Å
273	G	84.9	Confident	88.7	Confident	37 Å²	37	57.8 Å²	57.8	38%	0.381	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-42.5	174.8	0	0	0	0	0	113	L269 G270 P271 M277	L269-G273 PolarHBondContact O-N 3.39Å; L269-G273 VanDerWaalsContact O-N 3.11Å; G270-G273 PolarHBondContact O-N 2.9Å; P271-G273 PolarHBondContact O-N 3.36Å; G273-M277 WeakPolarHBondContact O-CB 3.47Å; G273-M277 PolarHBondContact O-N 3.04Å
274	A	85.8	Confident	88.5	Confident	41 Å²	41	55.4 Å²	55.4	34%	0.339	28%	0.284	S	S	.	.	H	α-helix	trans	-64.6	-47.3	179.1	0	0	0	0	0	112.4	F206 G270 P271 L276 M277 L278	F206-A274 HydrophobicContact CE2-CB 4.49Å; G270-A274 WeakPolarHBondContact O-CB 3.17Å; G270-A274 PolarHBondContact O-N 2.93Å; P271-A274 PolarHBondContact O-N 3.49Å; A274-L276 PolarHBondContact O-N 3.41Å; A274-M277 PolarHBondContact O-N 2.86Å; A274-L278 WeakPolarHBondContact O-CB 3.38Å; A274-L278 PolarHBondContact O-N 3.1Å
275	I	89.9	Confident	88.4	Confident	35 Å²	35	57.1 Å²	57.1	18%	0.179	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-46.6	177.9	-68.9	169.8	0	0	0	110.4	V20 E21 I24 M25 P271 M277 L278 V279	V20-I275 HydrophobicContact CG1-CG2 4.11Å; E21-I275 HydrophobicContact CB-CG2 4.33Å; I24-I275 HydrophobicContact CB-CD1 4.06Å; I24-I275 HydrophobicContact CD1-CD1 3.92Å; I24-I275 HydrophobicContact CD1-CG2 4.16Å; I24-I275 HydrophobicContact CG2-CD1 3.73Å; M25-I275 HydrophobicContact CE-CD1 3.26Å; P271-I275 WeakPolarHBondContact O-CB 3.36Å; P271-I275 VanDerWaalsContact O-CG1 3.25Å; P271-I275 WeakPolarHBondContact O-CG1 3.36Å; P271-I275 PolarHBondContact O-N 3.36Å; I275-M277 VanDerWaalsContact C-N 3.3Å; I275-M277 PolarHBondContact O-N 2.85Å; I275-L278 PolarHBondContact O-N 3.34Å; I275-V279 HydrophobicContact CG2-CG2 4.13Å; I275-V279 WeakPolarHBondContact O-CB 3.41Å; I275-V279 VanDerWaalsContact O-CG2 3.27Å; I275-V279 WeakPolarHBondContact O-CG2 3.37Å; I275-V279 PolarHBondContact O-N 2.73Å
276	L	88.7	Confident	88.5	Confident	39 Å²	39	59.4 Å²	59.4	20%	0.204	32%	0.315	C	S	.	.	H	α-helix	trans	-57.4	-46.6	179.4	-178.5	75.3	0	0	0	111.4	A17 E21 G272 A274 Y280	A17-L276 HydrophobicContact CB-CD1 3.78Å; A17-L276 WeakPolarHBondContact CB-O 3.39Å; E21-L276 HydrophobicContact CB-CD1 4.49Å; E21-L276 HydrophobicContact CG-CB 4.45Å; G272-L276 VanDerWaalsContact O-CB 3.25Å; G272-L276 WeakPolarHBondContact O-CB 3.34Å; G272-L276 PolarHBondContact O-N 2.99Å; A274-L276 PolarHBondContact O-N 3.41Å; L276-Y280 WeakPolarHBondContact O-CB 3.46Å; L276-Y280 PolarHBondContact O-N 3.19Å
277	M	85.5	Confident	88.4	Confident	85 Å²	85	58.1 Å²	58.1	42%	0.419	31%	0.309	S	S	.	.	H	α-helix	trans	-66.1	-47.3	-179.8	-168.4	176.3	77.5	0	0	111.4	G273 A274 I275 V279 Y280 E281	G273-M277 WeakPolarHBondContact O-CB 3.47Å; G273-M277 PolarHBondContact O-N 3.04Å; A274-M277 PolarHBondContact O-N 2.86Å; I275-M277 VanDerWaalsContact C-N 3.3Å; I275-M277 PolarHBondContact O-N 2.85Å; M277-V279 PolarHBondContact O-N 3.15Å; M277-Y280 PolarHBondContact O-N 3.41Å; M277-E281 WeakPolarHBondContact O-CG 3.05Å; M277-E281 PolarHBondContact O-N 2.86Å
278	L	89.5	Confident	88.3	Confident	117 Å²	117	59.1 Å²	59.1	61%	0.613	31%	0.311	S	S	*	.	H	α-helix	trans	-61.2	-47.1	-178.9	-175.9	147.5	0	0	0	112	A274 I275 Y280 E281 Y282	A274-L278 WeakPolarHBondContact O-CB 3.38Å; A274-L278 PolarHBondContact O-N 3.1Å; I275-L278 PolarHBondContact O-N 3.34Å; L278-Y280 VanDerWaalsContact C-N 3.34Å; L278-E281 PolarHBondContact O-N 3.13Å; L278-Y282 WeakPolarHBondContact O-CB 3.49Å; L278-Y282 PolarHBondContact O-N 3.2Å
279	V	91.1	Very high	88.2	Confident	20 Å²	20	63.3 Å²	63.3	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-68	-38	179.5	179.2	0	0	0	0	110.6	A17 V20 I275 M277 M283	A17-V279 HydrophobicContact CB-CB 3.96Å; A17-V279 HydrophobicContact CB-CG1 3.96Å; V20-V279 HydrophobicContact CB-CG1 4.37Å; V20-V279 HydrophobicContact CB-CG2 4.17Å; V20-V279 HydrophobicContact CG1-CG2 3.89Å; V20-V279 HydrophobicContact CG2-CG1 4.22Å; I275-V279 HydrophobicContact CG2-CG2 4.13Å; I275-V279 WeakPolarHBondContact O-CB 3.41Å; I275-V279 VanDerWaalsContact O-CG2 3.27Å; I275-V279 WeakPolarHBondContact O-CG2 3.37Å; I275-V279 PolarHBondContact O-N 2.73Å; M277-V279 PolarHBondContact O-N 3.15Å; V279-M283 HydrophobicContact CG1-CG 4.02Å; V279-M283 VanDerWaalsContact O-CB 3.27Å; V279-M283 WeakPolarHBondContact O-CB 3.26Å; V279-M283 WeakPolarHBondContact O-CG 3.16Å; V279-M283 PolarHBondContact O-N 2.98Å
280	Y	89.9	Confident	88.4	Confident	79 Å²	79	65.9 Å²	65.9	31%	0.31	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-49.9	176.2	176.6	-90.2	0	0	0	111.5	L276 M277 L278 Y282 M283 F284	L276-Y280 WeakPolarHBondContact O-CB 3.46Å; L276-Y280 PolarHBondContact O-N 3.19Å; M277-Y280 PolarHBondContact O-N 3.41Å; L278-Y280 VanDerWaalsContact C-N 3.34Å; Y280-Y282 PolarHBondContact O-N 3.44Å; Y280-M283 PolarHBondContact O-N 2.66Å; Y280-F284 HydrophobicContact CE1-CB 4.41Å; Y280-F284 WeakPolarHBondContact O-CB 3.38Å; Y280-F284 PolarHBondContact O-N 3.48Å
281	E	88.8	Confident	88.5	Confident	116 Å²	116	71.5 Å²	71.5	54%	0.542	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-44.6	-179.5	-73.8	176	179	0	0	111.4	M277 L278 G285	M277-E281 WeakPolarHBondContact O-CG 3.05Å; M277-E281 PolarHBondContact O-N 2.86Å; L278-E281 PolarHBondContact O-N 3.13Å; E281-G285 PolarHBondContact O-N 2.93Å
282	Y	91.6	Very high	87.6	Confident	156 Å²	156	72.2 Å²	72.2	61%	0.612	39%	0.387	S	S	*	.	H	α-helix	trans	-62.2	-50	177.3	-177.7	-97.9	0	0	0	112.1	L278 Y280 G285 L286	L278-Y282 WeakPolarHBondContact O-CB 3.49Å; L278-Y282 PolarHBondContact O-N 3.2Å; Y280-Y282 PolarHBondContact O-N 3.44Å; Y282-G285 PolarHBondContact O-N 3.19Å; Y282-L286 WeakPolarHBondContact O-CB 3.32Å; Y282-L286 PolarHBondContact O-N 2.95Å
283	M	90.9	Very high	87.6	Confident	44 Å²	44	75.7 Å²	75.7	22%	0.217	41%	0.405	C	S	.	.	H	α-helix	trans	-66.5	-40.2	-178.8	-71.5	-59.3	-62.4	0	0	112.2	V279 Y280 L286 L287	V279-M283 HydrophobicContact CG1-CG 4.02Å; V279-M283 VanDerWaalsContact O-CB 3.27Å; V279-M283 WeakPolarHBondContact O-CB 3.26Å; V279-M283 WeakPolarHBondContact O-CG 3.16Å; V279-M283 PolarHBondContact O-N 2.98Å; Y280-M283 PolarHBondContact O-N 2.66Å; M283-L286 PolarHBondContact O-N 3.36Å; M283-L287 WeakPolarHBondContact O-CB 3.45Å; M283-L287 VanDerWaalsContact O-CG 3.31Å; M283-L287 WeakPolarHBondContact O-CG 3.19Å; M283-L287 PolarHBondContact O-N 3.31Å
284	F	88.1	Confident	87.8	Confident	42 Å²	42	77.7 Å²	77.7	18%	0.184	41%	0.407	C	S	.	.	H	α-helix	trans	-67.2	-41.9	178.3	-170.8	-95	0	0	0	111.1	F9 Q10 S13 Y280 K288	F9-F284 HydrophobicContact CB-CD2 4.03Å; F9-F284 HydrophobicContact CB-CE2 3.79Å; Q10-F284 HydrophobicContact CG-CD2 4.26Å; Q10-F284 HydrophobicContact CG-CE2 3.68Å; S13-F284 WeakPolarHBondContact OG-CA 3.46Å; S13-F284 PolarHBondContact OG-N 3.37Å; S13-F284 VanDerWaalsContact OG-N 3.15Å; Y280-F284 HydrophobicContact CE1-CB 4.41Å; Y280-F284 WeakPolarHBondContact O-CB 3.38Å; Y280-F284 PolarHBondContact O-N 3.48Å; F284-K288 HydrophobicContact CE1-CD 4.11Å; F284-K288 VanDerWaalsContact O-CB 3.24Å; F284-K288 WeakPolarHBondContact O-CB 3.12Å; F284-K288 PolarHBondContact O-N 2.9Å
285	G	88.6	Confident	87.9	Confident	40 Å²	40	79.7 Å²	79.7	41%	0.412	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-46.2	173.6	0	0	0	0	0	112.3	E281 Y282 K288 H289	E281-G285 PolarHBondContact O-N 2.93Å; Y282-G285 PolarHBondContact O-N 3.19Å; G285-K288 PolarHBondContact O-N 3.41Å; G285-H289 WeakPolarHBondContact O-CB 3.26Å; G285-H289 PolarHBondContact O-N 2.9Å
286	L	91.6	Very high	87.8	Confident	68 Å²	68	82.4 Å²	82.4	36%	0.356	42%	0.424	S	S	.	.	H	α-helix	trans	-62.4	-46.2	178.6	-173.3	73.2	0	0	0	112.1	Y282 M283 H289 N290	Y282-L286 WeakPolarHBondContact O-CB 3.32Å; Y282-L286 PolarHBondContact O-N 2.95Å; M283-L286 PolarHBondContact O-N 3.36Å; L286-H289 PolarHBondContact O-N 3.46Å; L286-N290 WeakPolarHBondContact O-CB 3.43Å; L286-N290 PolarHBondContact O-N 3.41Å
287	L	90	Very high	87.7	Confident	25 Å²	25	85.1 Å²	85.1	13%	0.131	44%	0.438	C	S	.	.	H	α-helix	trans	-64.9	-41.9	178.4	-73.5	171.1	0	0	0	111.7	F9 V12 M283 H289 N290 F291	F9-L287 HydrophobicContact CB-CB 4.34Å; F9-L287 HydrophobicContact CB-CD1 4.27Å; F9-L287 HydrophobicContact CD1-CB 3.98Å; F9-L287 HydrophobicContact CD1-CD1 4.27Å; F9-L287 HydrophobicContact CD2-CB 4.27Å; F9-L287 HydrophobicContact CE1-CB 4.34Å; F9-L287 HydrophobicContact CG-CB 3.96Å; F9-L287 HydrophobicContact CG-CD1 4.48Å; V12-L287 HydrophobicContact CB-CD1 3.95Å; V12-L287 HydrophobicContact CG1-CD1 3.84Å; M283-L287 WeakPolarHBondContact O-CB 3.45Å; M283-L287 VanDerWaalsContact O-CG 3.31Å; M283-L287 WeakPolarHBondContact O-CG 3.19Å; M283-L287 PolarHBondContact O-N 3.31Å; L287-H289 VanDerWaalsContact C-N 3.31Å; L287-H289 PolarHBondContact O-N 2.9Å; L287-N290 PolarHBondContact O-N 2.79Å; L287-F291 HydrophobicContact CD2-CD2 4.02Å; L287-F291 HydrophobicContact CD2-CE2 4.27Å; L287-F291 WeakPolarHBondContact O-CA 3.25Å; L287-F291 WeakPolarHBondContact O-CB 3.35Å; L287-F291 PolarHBondContact O-N 2.93Å
288	K	87.9	Confident	87.9	Confident	115 Å²	115	85.1 Å²	85.1	50%	0.5	44%	0.439	S	S	.	.	H	α-helix	trans	-70.2	-27.1	177	-166.5	173.5	-176	178.1	0	112.6	F284 G285 G292	F284-K288 HydrophobicContact CE1-CD 4.11Å; F284-K288 VanDerWaalsContact O-CB 3.24Å; F284-K288 WeakPolarHBondContact O-CB 3.12Å; F284-K288 PolarHBondContact O-N 2.9Å; G285-K288 PolarHBondContact O-N 3.41Å; K288-G292 WeakPolarHBondContact O-CA 3.19Å; K288-G292 PolarHBondContact O-N 3.05Å
289	H	88.6	Confident	87.8	Confident	154 Å²	154	82.8 Å²	82.8	71%	0.713	43%	0.427	S	S	*	.	H	α-helix	trans	-75.3	-45.6	173.6	179.3	-87.3	0	0	0	111.7	G285 L286 L287	G285-H289 WeakPolarHBondContact O-CB 3.26Å; G285-H289 PolarHBondContact O-N 2.9Å; L286-H289 PolarHBondContact O-N 3.46Å; L287-H289 VanDerWaalsContact C-N 3.31Å; L287-H289 PolarHBondContact O-N 2.9Å
290	N	88.1	Confident	87.5	Confident	93 Å²	93	87.6 Å²	87.6	50%	0.497	45%	0.45	S	S	.	.	H	α-helix	trans	-84.3	-32.2	-171.5	-67.6	-12.4	0	0	0	113.8	L286 L287	L286-N290 WeakPolarHBondContact O-CB 3.43Å; L286-N290 PolarHBondContact O-N 3.41Å; L287-N290 PolarHBondContact O-N 2.79Å
291	F	84.3	Confident	87.3	Confident	128 Å²	128	88.3 Å²	88.3	56%	0.561	46%	0.462	S	S	*	.			trans	-122.3	8	-176.1	-58.1	-76.8	0	0	0	112.1	R5 F9 L287	R5-F291 WeakPolarHBondContact CD-O 3.11Å; R5-F291 PolarHBondContact NE-O 3.35Å; R5-F291 PolarHBondContact NH1-O 3.01Å; R5-F291 PolarHBondContact NH2-O 3.14Å; F9-F291 HydrophobicContact CE1-CB 4Å; F9-F291 HydrophobicContact CZ-CB 3.51Å; L287-F291 HydrophobicContact CD2-CD2 4.02Å; L287-F291 HydrophobicContact CD2-CE2 4.27Å; L287-F291 WeakPolarHBondContact O-CA 3.25Å; L287-F291 WeakPolarHBondContact O-CB 3.35Å; L287-F291 PolarHBondContact O-N 2.93Å
292	G	69.4	Low	87.2	Confident	79 Å²	79	85.8 Å²	85.8	81%	0.814	45%	0.454	S	S	*	.			trans	-59.2	0	173.9	0	0	0	0	0	114.5	R5 K288	R5-G292 VanDerWaalsContact CZ-C 3.5Å; R5-G292 PolarHBondContact NH1-O 3.12Å; R5-G292 PolarHBondContact NH2-O 3.13Å; K288-G292 WeakPolarHBondContact O-CA 3.19Å; K288-G292 PolarHBondContact O-N 3.05Å

Retrieved 292 of 292 residues in 599.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).