A0A096NUN2_PAPAN 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 A0A096NUN2, Species PAPAN (Papio anubis, Olive baboon), Gene SLC25A21, Length 299 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	59.7	Low	247 Å²	247	131.9 Å²	131.9	100%	1.217	74%	0.737	S	S	*	*				0	96.3	0	-82.7	161.1	67	0	0	107.8	A3	M1-A3 PolarHBondContact O-N 3.24Å
2	S	33.9	Very low	61.8	Low	125 Å²	125	124.2 Å²	124.2	87%	0.874	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-74.8	116.9	178.7	-155.3	0	0	0	0	108.4	K4	S2-K4 PolarHBondContact O-N 3.39Å
3	A	40.3	Very low	63.6	Low	92 Å²	92	117.8 Å²	117.8	76%	0.76	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-58.6	122.2	174.1	0	0	0	0	0	108.7	M1	M1-A3 PolarHBondContact O-N 3.24Å
4	K	49.1	Very low	65.3	Low	196 Å²	196	111.3 Å²	111.3	85%	0.852	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-61.9	130.2	171.5	-76.4	-176.1	176.1	-175.9	0	107.5	S2 E6	S2-K4 PolarHBondContact O-N 3.39Å; K4-E6 PolarHBondContact O-N 3Å
5	P	48.5	Very low	66.9	Low	111 Å²	111	105 Å²	105	72%	0.721	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-62.1	136.6	178.4	25.1	-30.9	0	0	0	109	V7	P5-V7 PolarHBondContact O-N 3.34Å
6	E	55.3	Low	68.2	Low	200 Å²	200	104.1 Å²	104.1	94%	0.935	58%	0.581	S	S	*	*			trans	-58.2	102.9	172.2	-82.7	-170.3	150.6	0	0	108.6	K4 G8	K4-E6 PolarHBondContact O-N 3Å; E6-G8 PolarHBondContact O-N 3.09Å
7	V	62.8	Low	69.3	Low	57 Å²	57	104.8 Å²	104.8	35%	0.345	58%	0.582	S	S	.	*			trans	-67.3	117.5	173.6	-178.2	0	0	0	0	106.4	P5 L9 R11 E12	P5-V7 PolarHBondContact O-N 3.34Å; V7-L9 PolarHBondContact O-N 3.08Å; V7-R11 HydrophobicContact CG1-CB 3.86Å; V7-R11 HydrophobicContact CG1-CG 4Å; V7-E12 HydrophobicContact CG1-CB 4.03Å
8	G	77.9	Confident	70.5	Confident	46 Å²	46	102.6 Å²	102.6	47%	0.474	57%	0.572	S	S	.	*			trans	-52.7	137	176.5	0	0	0	0	0	111	E6 V10 R11 E12	E6-G8 PolarHBondContact O-N 3.09Å; G8-V10 PolarHBondContact O-N 3.3Å; G8-R11 WeakPolarHBondContact O-CA 3.37Å; G8-R11 WeakPolarHBondContact O-CB 3.43Å; G8-R11 PolarHBondContact O-N 3.11Å; G8-E12 PolarHBondContact O-N 2.9Å; G8-E12 VanDerWaalsContact O-N 3.16Å
9	L	82.1	Confident	71.5	Confident	153 Å²	153	97.2 Å²	97.2	80%	0.801	54%	0.542	S	S	*	.	H	α-helix	trans	-46.1	-38.8	-175.7	-178.8	67.5	0	0	0	113.2	V7 A13	V7-L9 PolarHBondContact O-N 3.08Å; L9-A13 VanDerWaalsContact O-CB 3.28Å; L9-A13 WeakPolarHBondContact O-CB 3.25Å; L9-A13 PolarHBondContact O-N 2.61Å
10	V	85	Confident	72.3	Confident	124 Å²	124	93.2 Å²	93.2	75%	0.752	52%	0.523	S	S	*	.	H	α-helix	trans	-65	-42.2	178.6	178.4	0	0	0	0	112.1	G8 S14	G8-V10 PolarHBondContact O-N 3.3Å; V10-S14 WeakPolarHBondContact O-CB 3.41Å; V10-S14 PolarHBondContact O-N 2.9Å; V10-S14 PolarHBondContact O-OG 3.06Å
11	R	84.8	Confident	73.1	Confident	100 Å²	100	90.1 Å²	90.1	38%	0.377	51%	0.513	S	S	.	.	H	α-helix	trans	-68.2	-43.8	179.4	-172.8	175.7	-176.6	173.3	10.1	110.3	V7 G8 S14 R15 W299	V7-R11 HydrophobicContact CG1-CB 3.86Å; V7-R11 HydrophobicContact CG1-CG 4Å; G8-R11 WeakPolarHBondContact O-CA 3.37Å; G8-R11 WeakPolarHBondContact O-CB 3.43Å; G8-R11 PolarHBondContact O-N 3.11Å; R11-S14 WeakPolarHBondContact CA-OG 3.29Å; R11-S14 PolarHBondContact O-N 2.85Å; R11-S14 PolarHBondContact O-OG 2.83Å; R11-R15 WeakPolarHBondContact O-CG 3.49Å; R11-R15 PolarHBondContact O-N 3.46Å; R11-W299 HydrophobicContact CG-CZ2 4.43Å; R11-W299 PolarHBondContact NE-O 3.3Å; R11-W299 VanDerWaalsContact NE-O 3.09Å; R11-W299 PolarHBondContact NH2-O 3.34Å; R11-W299 VanDerWaalsContact NH2-O 3.09Å; R11-W299 PolarHBondContact NH2-OXT 3.11Å
12	E	84.9	Confident	75.7	Confident	39 Å²	39	80.4 Å²	80.4	18%	0.182	47%	0.469	C	S	.	.	H	α-helix	trans	-63.1	-45.6	176.3	-175.1	51.1	-145.7	0	0	111.9	V7 G8 S14 R15 Q16 Y292	V7-E12 HydrophobicContact CG1-CB 4.03Å; G8-E12 PolarHBondContact O-N 2.9Å; G8-E12 VanDerWaalsContact O-N 3.16Å; E12-S14 VanDerWaalsContact C-N 3.31Å; E12-S14 PolarHBondContact O-N 2.86Å; E12-R15 PolarHBondContact O-N 2.93Å; E12-R15 IonicContact OE2-NH1 2.88Å; E12-Q16 WeakPolarHBondContact O-CG 3.21Å; E12-Q16 PolarHBondContact O-N 2.95Å; E12-Q16 PolarHBondContact OE1-NE2 3.3Å; E12-Y292 WeakPolarHBondContact OE1-CE2 3.34Å; E12-Y292 PolarHBondContact OE1-OH 3.25Å
13	A	85.1	Confident	78.4	Confident	41 Å²	41	74.4 Å²	74.4	34%	0.339	43%	0.427	S	S	.	.	H	α-helix	trans	-59	-42.2	174.5	0	0	0	0	0	112.1	L9 Q16 I17	L9-A13 VanDerWaalsContact O-CB 3.28Å; L9-A13 WeakPolarHBondContact O-CB 3.25Å; L9-A13 PolarHBondContact O-N 2.61Å; A13-Q16 PolarHBondContact O-N 3.41Å; A13-I17 VanDerWaalsContact O-CG1 3.26Å; A13-I17 WeakPolarHBondContact O-CG1 3.25Å; A13-I17 PolarHBondContact O-N 3Å
14	S	87.5	Confident	80.8	Confident	27 Å²	27	70.1 Å²	70.1	19%	0.189	39%	0.392	C	S	.	.	H	α-helix	trans	-65.2	-40.5	178.4	68.1	0	0	0	0	112.6	V10 R11 E12 Q16 I17 V18 W299	V10-S14 WeakPolarHBondContact O-CB 3.41Å; V10-S14 PolarHBondContact O-N 2.9Å; V10-S14 PolarHBondContact O-OG 3.06Å; R11-S14 WeakPolarHBondContact CA-OG 3.29Å; R11-S14 PolarHBondContact O-N 2.85Å; R11-S14 PolarHBondContact O-OG 2.83Å; E12-S14 VanDerWaalsContact C-N 3.31Å; E12-S14 PolarHBondContact O-N 2.86Å; S14-Q16 VanDerWaalsContact C-N 3.34Å; S14-Q16 PolarHBondContact O-N 3Å; S14-I17 PolarHBondContact O-N 3.24Å; S14-V18 VanDerWaalsContact O-CG2 3.31Å; S14-V18 WeakPolarHBondContact O-CG2 3.43Å; S14-V18 PolarHBondContact O-N 3.43Å; S14-W299 WeakPolarHBondContact OG-CH2 2.99Å; S14-W299 WeakPolarHBondContact OG-CZ3 3.15Å
15	R	88.7	Confident	82.8	Confident	17 Å²	17	64.7 Å²	64.7	6%	0.064	37%	0.372	C	S	.	.	H	α-helix	trans	-61	-44.3	175	-69.8	176.5	-179	165	-9.1	111.2	R11 E12 V18 A19 Y292 L295 W299	R11-R15 WeakPolarHBondContact O-CG 3.49Å; R11-R15 PolarHBondContact O-N 3.46Å; E12-R15 PolarHBondContact O-N 2.93Å; E12-R15 IonicContact OE2-NH1 2.88Å; R15-V18 PolarHBondContact O-N 3.46Å; R15-A19 VanDerWaalsContact O-CB 3.29Å; R15-A19 WeakPolarHBondContact O-CB 3.29Å; R15-A19 PolarHBondContact O-N 3.39Å; R15-Y292 HydrophobicContact CB-CD2 4.44Å; R15-Y292 HydrophobicContact CB-CE2 4.26Å; R15-L295 HydrophobicContact CB-CB 4.44Å; R15-L295 HydrophobicContact CB-CD1 4.4Å; R15-L295 HydrophobicContact CG-CB 4.17Å; R15-L295 WeakPolarHBondContact O-CD1 3.48Å; R15-W299 HydrophobicContact CG-CE3 3.89Å; R15-W299 HydrophobicContact CG-CZ3 4.14Å; R15-W299 VanDerWaalsContact CZ-O 3.22Å; R15-W299 PolarHBondContact NE-O 3.28Å; R15-W299 PolarHBondContact NH2-O 3.15Å
16	Q	87.4	Confident	85	Confident	90 Å²	90	62 Å²	62	42%	0.421	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-40	177.3	-67.7	175.9	8.2	0	0	112.5	E12 A13 S14 G20 Y292	E12-Q16 WeakPolarHBondContact O-CG 3.21Å; E12-Q16 PolarHBondContact O-N 2.95Å; E12-Q16 PolarHBondContact OE1-NE2 3.3Å; A13-Q16 PolarHBondContact O-N 3.41Å; S14-Q16 VanDerWaalsContact C-N 3.34Å; S14-Q16 PolarHBondContact O-N 3Å; Q16-G20 WeakPolarHBondContact O-CA 3.44Å; Q16-G20 PolarHBondContact O-N 2.98Å; Q16-Y292 HydrophobicContact CG-CD2 4.44Å; Q16-Y292 HydrophobicContact CG-CE2 3.83Å
17	I	88.1	Confident	86.8	Confident	116 Å²	116	53.1 Å²	53.1	60%	0.595	31%	0.312	S	S	*	.	H	α-helix	trans	-65.4	-45.5	176.6	-71	165.7	0	0	0	110.8	A13 S14 G21	A13-I17 VanDerWaalsContact O-CG1 3.26Å; A13-I17 WeakPolarHBondContact O-CG1 3.25Å; A13-I17 PolarHBondContact O-N 3Å; S14-I17 PolarHBondContact O-N 3.24Å; I17-G21 WeakPolarHBondContact O-CA 3.43Å; I17-G21 PolarHBondContact O-N 3.42Å
18	V	90.1	Very high	88.2	Confident	66 Å²	66	50.8 Å²	50.8	40%	0.4	30%	0.297	S	S	.	.	H	α-helix	trans	-66.8	-45.3	179.9	175.1	0	0	0	0	110.9	S14 R15 G21 S22 L295	S14-V18 VanDerWaalsContact O-CG2 3.31Å; S14-V18 WeakPolarHBondContact O-CG2 3.43Å; S14-V18 PolarHBondContact O-N 3.43Å; R15-V18 PolarHBondContact O-N 3.46Å; V18-G21 PolarHBondContact O-N 3.19Å; V18-S22 VanDerWaalsContact O-CB 3.29Å; V18-S22 WeakPolarHBondContact O-CB 3.46Å; V18-S22 PolarHBondContact O-N 2.91Å; V18-S22 PolarHBondContact O-OG 2.89Å; V18-L295 HydrophobicContact CB-CD1 3.89Å; V18-L295 HydrophobicContact CG1-CD1 3.83Å; V18-L295 HydrophobicContact CG1-CD2 4.49Å
19	A	89.8	Confident	88.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-46.5	176.2	0	0	0	0	0	111.8	R15 S22 A23 Y288 T291 Y292 L295	R15-A19 VanDerWaalsContact O-CB 3.29Å; R15-A19 WeakPolarHBondContact O-CB 3.29Å; R15-A19 PolarHBondContact O-N 3.39Å; A19-S22 PolarHBondContact O-N 2.8Å; A19-A23 VanDerWaalsContact O-CB 3.26Å; A19-A23 WeakPolarHBondContact O-CB 3.4Å; A19-A23 PolarHBondContact O-N 3.25Å; A19-Y288 HydrophobicContact CB-CD2 3.85Å; A19-Y288 HydrophobicContact CB-CE2 3.86Å; A19-T291 HydrophobicContact CB-CG2 4.21Å; A19-Y292 HydrophobicContact CB-CD2 4.26Å; A19-L295 HydrophobicContact CB-CD1 4.35Å
20	G	87.6	Confident	89.5	Confident	16 Å²	16	48 Å²	48	17%	0.165	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-40.6	178.1	0	0	0	0	0	113.5	Q16 G24	Q16-G20 WeakPolarHBondContact O-CA 3.44Å; Q16-G20 PolarHBondContact O-N 2.98Å; G20-G24 PolarHBondContact O-N 3.02Å
21	G	89.4	Confident	89.8	Confident	30 Å²	30	42.9 Å²	42.9	31%	0.309	24%	0.243	S	C	.	.	H	α-helix	trans	-67.7	-44	177.1	0	0	0	0	0	112.4	I17 V18 G24 L25	I17-G21 WeakPolarHBondContact O-CA 3.43Å; I17-G21 PolarHBondContact O-N 3.42Å; V18-G21 PolarHBondContact O-N 3.19Å; G21-G24 PolarHBondContact O-N 3.32Å; G21-L25 WeakPolarHBondContact O-CB 3.46Å; G21-L25 PolarHBondContact O-N 3.03Å
22	S	91.4	Very high	90.3	Very high	42 Å²	42	38.1 Å²	38.1	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-64	-44.6	176.7	-55.8	0	0	0	0	111.3	V18 A19 G24 L25 V26	V18-S22 VanDerWaalsContact O-CB 3.29Å; V18-S22 WeakPolarHBondContact O-CB 3.46Å; V18-S22 PolarHBondContact O-N 2.91Å; V18-S22 PolarHBondContact O-OG 2.89Å; A19-S22 PolarHBondContact O-N 2.8Å; S22-G24 PolarHBondContact O-N 3.24Å; S22-L25 PolarHBondContact O-N 2.89Å; S22-V26 WeakPolarHBondContact O-CG2 3.47Å; S22-V26 PolarHBondContact O-N 3.33Å
23	A	91.3	Very high	90.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-44.9	174.2	0	0	0	0	0	112.9	A19 E27 M284 V287	A19-A23 VanDerWaalsContact O-CB 3.26Å; A19-A23 WeakPolarHBondContact O-CB 3.4Å; A19-A23 PolarHBondContact O-N 3.25Å; A23-E27 WeakPolarHBondContact O-CB 3.44Å; A23-E27 PolarHBondContact O-N 3Å; A23-M284 HydrophobicContact CB-CG 4.27Å; A23-M284 VanDerWaalsContact CB-O 3.31Å; A23-M284 WeakPolarHBondContact CB-O 3.28Å; A23-V287 VanDerWaalsContact CA-CG1 3.49Å; A23-V287 HydrophobicContact CB-CB 4.07Å; A23-V287 HydrophobicContact CB-CG1 4.07Å
24	G	89.6	Confident	91	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-42.2	175.4	0	0	0	0	0	112.5	G20 G21 S22 E27 I28	G20-G24 PolarHBondContact O-N 3.02Å; G21-G24 PolarHBondContact O-N 3.32Å; S22-G24 PolarHBondContact O-N 3.24Å; G24-E27 PolarHBondContact O-N 3.48Å; G24-I28 WeakPolarHBondContact O-CB 3.34Å; G24-I28 WeakPolarHBondContact O-CD1 3.49Å; G24-I28 WeakPolarHBondContact O-CG1 3.31Å; G24-I28 PolarHBondContact O-N 3.49Å
25	L	92.4	Very high	91.2	Very high	82 Å²	82	36 Å²	36	43%	0.429	21%	0.208	S	C	.	.	H	α-helix	trans	-62.4	-47.4	178.3	-178.5	65.1	0	0	0	111.7	G21 S22 I28 C29 I80	G21-L25 WeakPolarHBondContact O-CB 3.46Å; G21-L25 PolarHBondContact O-N 3.03Å; S22-L25 PolarHBondContact O-N 2.89Å; L25-I28 PolarHBondContact O-N 3.38Å; L25-C29 WeakPolarHBondContact O-CB 3.48Å; L25-C29 PolarHBondContact O-N 3.28Å; L25-C29 PolarHBondContact O-SG 2.63Å; L25-I80 HydrophobicContact CD1-CD1 3.7Å; L25-I80 HydrophobicContact CD1-CG1 3.92Å; L25-I80 HydrophobicContact CD1-CG2 4.03Å
26	V	93.7	Very high	91.4	Very high	55 Å²	55	35.2 Å²	35.2	33%	0.333	21%	0.205	S	C	.	.	H	α-helix	trans	-66.3	-42.3	179.7	177.6	0	0	0	0	111.2	S22 I28 C29 L30 V283 V287	S22-V26 WeakPolarHBondContact O-CG2 3.47Å; S22-V26 PolarHBondContact O-N 3.33Å; V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 PolarHBondContact O-N 3.46Å; V26-C29 PolarHBondContact O-N 2.73Å; V26-L30 HydrophobicContact CG1-CD1 3.95Å; V26-L30 HydrophobicContact CG1-CG 4.36Å; V26-L30 WeakPolarHBondContact O-CG 3.4Å; V26-L30 PolarHBondContact O-N 2.88Å; V26-V283 HydrophobicContact CG1-CG1 3.91Å; V26-V287 HydrophobicContact CB-CG1 4.35Å; V26-V287 HydrophobicContact CB-CG2 4.06Å; V26-V287 HydrophobicContact CG1-CG2 3.86Å; V26-V287 HydrophobicContact CG2-CG1 4.13Å; V26-V287 HydrophobicContact CG2-CG2 4.43Å
27	E	93.2	Very high	91.6	Very high	14 Å²	14	30.9 Å²	30.9	7%	0.065	19%	0.185	C	C	.	.	H	α-helix	trans	-57.4	-48.1	174	-176	-86.3	160.4	0	0	111.3	A23 G24 C29 L30 M31 R276 V283 M284	A23-E27 WeakPolarHBondContact O-CB 3.44Å; A23-E27 PolarHBondContact O-N 3Å; G24-E27 PolarHBondContact O-N 3.48Å; E27-C29 PolarHBondContact O-N 2.68Å; E27-L30 PolarHBondContact O-N 3.07Å; E27-M31 HydrophobicContact CG-CG 4.11Å; E27-M31 VanDerWaalsContact O-CB 3.23Å; E27-M31 WeakPolarHBondContact O-CB 3.16Å; E27-M31 VanDerWaalsContact O-CG 3.26Å; E27-M31 WeakPolarHBondContact O-CG 3.47Å; E27-M31 PolarHBondContact O-N 2.76Å; E27-M31 WeakPolarHBondContact OE1-CG 3.36Å; E27-R276 IonicContact OE1-CZ 2.71Å; E27-R276 IonicContact OE1-NE 3.4Å; E27-R276 PolarHBondContact OE1-NE 2.95Å; E27-R276 IonicContact OE1-NH2 3.71Å; E27-R276 PolarHBondContact OE1-NH2 2.87Å; E27-R276 IonicContact OE2-NH2 3.89Å; E27-R276 PolarHBondContact OE2-NH2 2.85Å; E27-V283 HydrophobicContact CB-CG1 4.31Å; E27-M284 HydrophobicContact CB-CB 4.42Å
28	I	92.7	Very high	91.8	Very high	8 Å²	8	26 Å²	26	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-60.2	-50.2	178.3	-69.5	166.5	0	0	0	109.7	G24 L25 V26 L30 M31 H32 I76 P79 I80 E83	G24-I28 WeakPolarHBondContact O-CB 3.34Å; G24-I28 WeakPolarHBondContact O-CD1 3.49Å; G24-I28 WeakPolarHBondContact O-CG1 3.31Å; G24-I28 PolarHBondContact O-N 3.49Å; L25-I28 PolarHBondContact O-N 3.38Å; V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 PolarHBondContact O-N 3.46Å; I28-L30 VanDerWaalsContact C-N 3.28Å; I28-L30 PolarHBondContact O-N 3.34Å; I28-M31 PolarHBondContact O-N 3.34Å; I28-H32 WeakPolarHBondContact O-CA 3.3Å; I28-H32 WeakPolarHBondContact O-CB 3.37Å; I28-H32 PolarHBondContact O-N 3.03Å; I28-I76 HydrophobicContact CG2-CD1 4.2Å; I28-I76 HydrophobicContact CG2-CG1 3.89Å; I28-P79 HydrophobicContact CD1-CB 4.37Å; I28-P79 HydrophobicContact CG2-CB 4.2Å; I28-I80 HydrophobicContact CD1-CG1 4.33Å; I28-I80 HydrophobicContact CG2-CG1 3.95Å; I28-E83 HydrophobicContact CD1-CB 3.93Å; I28-E83 HydrophobicContact CD1-CG 4.06Å
29	C	92.8	Very high	91.8	Very high	44 Å²	44	23.4 Å²	23.4	30%	0.297	14%	0.143	S	C	.	.	H	α-helix	trans	-58.4	-37.9	-178.9	-72.6	0	0	0	0	113.4	L25 V26 E27 Y73	L25-C29 WeakPolarHBondContact O-CB 3.48Å; L25-C29 PolarHBondContact O-N 3.28Å; L25-C29 PolarHBondContact O-SG 2.63Å; V26-C29 PolarHBondContact O-N 2.73Å; E27-C29 PolarHBondContact O-N 2.68Å; C29-Y73 WeakPolarHBondContact O-CE1 3.16Å; C29-Y73 PolarHBondContact O-OH 2.94Å
30	L	93.3	Very high	91.8	Very high	97 Å²	97	23.6 Å²	23.6	51%	0.508	14%	0.144	S	C	.	.	H	α-helix	trans	-80.4	-35.7	179.7	-67.8	179.2	0	0	0	112.9	V26 E27 I28 V283	V26-L30 HydrophobicContact CG1-CD1 3.95Å; V26-L30 HydrophobicContact CG1-CG 4.36Å; V26-L30 WeakPolarHBondContact O-CG 3.4Å; V26-L30 PolarHBondContact O-N 2.88Å; E27-L30 PolarHBondContact O-N 3.07Å; I28-L30 VanDerWaalsContact C-N 3.28Å; I28-L30 PolarHBondContact O-N 3.34Å; L30-V283 HydrophobicContact CD1-CG1 3.86Å; L30-V283 HydrophobicContact CD1-CG2 3.86Å
31	M	93.2	Very high	91.9	Very high	16 Å²	16	24.3 Å²	24.3	8%	0.079	14%	0.143	C	C	.	.	H	α-helix	trans	-93.3	-12.7	-174.5	-61.7	-60.7	119.8	0	0	113.6	E27 I28 P33 L34 D35 R276 P279	E27-M31 HydrophobicContact CG-CG 4.11Å; E27-M31 VanDerWaalsContact O-CB 3.23Å; E27-M31 WeakPolarHBondContact O-CB 3.16Å; E27-M31 VanDerWaalsContact O-CG 3.26Å; E27-M31 WeakPolarHBondContact O-CG 3.47Å; E27-M31 PolarHBondContact O-N 2.76Å; E27-M31 WeakPolarHBondContact OE1-CG 3.36Å; I28-M31 PolarHBondContact O-N 3.34Å; M31-P33 VanDerWaalsContact C-CD 3.46Å; M31-L34 WeakPolarHBondContact O-CB 3.39Å; M31-L34 PolarHBondContact O-N 3.04Å; M31-L34 VanDerWaalsContact O-N 3.12Å; M31-L34 HydrophobicContact SD-CD1 4.33Å; M31-D35 PolarHBondContact O-N 2.97Å; M31-R276 HydrophobicContact CB-CG 3.99Å; M31-R276 HydrophobicContact CG-CG 4.03Å; M31-R276 HydrophobicContact SD-CG 4.08Å; M31-P279 HydrophobicContact CE-CB 3.79Å; M31-P279 HydrophobicContact SD-CB 4.09Å
32	H	93.4	Very high	91.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-33.1	-176.7	-169.8	79.3	0	0	0	114.9	I28 L34 D35 V36 F72 K74 G75 I76 Q138	I28-H32 WeakPolarHBondContact O-CA 3.3Å; I28-H32 WeakPolarHBondContact O-CB 3.37Å; I28-H32 PolarHBondContact O-N 3.03Å; H32-L34 VanDerWaalsContact C-N 3.29Å; H32-L34 PolarHBondContact O-N 3.33Å; H32-D35 WeakPolarHBondContact O-CA 3.44Å; H32-D35 WeakPolarHBondContact O-CB 3.2Å; H32-D35 PolarHBondContact O-N 3.49Å; H32-V36 PolarHBondContact O-N 3.44Å; H32-F72 PolarHBondContact CD2-O 3.07Å; H32-K74 PolarHBondContact CE1-O 3.15Å; H32-K74 PolarHBondContact NE2-O 2.92Å; H32-G75 PolarHBondContact CE1-O 3.37Å; H32-I76 HydrophobicContact CB-CD1 4.22Å; H32-I76 HydrophobicContact CB-CG1 4.47Å; H32-I76 WeakPolarHBondContact CE1-CA 3.48Å; H32-I76 PolarHBondContact CE1-N 3.36Å; H32-Q138 PolarHBondContact CE1-NE2 2.84Å
33	P	93.7	Very high	91.6	Very high	23 Å²	23	21.8 Å²	21.8	15%	0.149	12%	0.118	C	C	.	.	H	α-helix	trans	-56.4	-40.7	171.2	-27	35.7	0	0	0	113.3	M31 D35 V36 V37 F60 F72	M31-P33 VanDerWaalsContact C-CD 3.46Å; P33-D35 VanDerWaalsContact C-N 3.32Å; P33-D35 PolarHBondContact O-N 3.34Å; P33-V36 PolarHBondContact O-N 3.32Å; P33-V37 WeakPolarHBondContact O-CG2 3.45Å; P33-V37 PolarHBondContact O-N 3.48Å; P33-V37 VanDerWaalsContact O-N 3.16Å; P33-F60 HydrophobicContact CB-CE1 4.13Å; P33-F72 HydrophobicContact CB-CB 4.03Å; P33-F72 HydrophobicContact CB-CD1 4.06Å; P33-F72 HydrophobicContact CB-CG 4.27Å; P33-F72 HydrophobicContact CG-CB 4.13Å
34	L	92.6	Very high	91.3	Very high	26 Å²	26	22.3 Å²	22.3	14%	0.136	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-33.6	175.1	-72	169.5	0	0	0	111.8	M31 H32 K38 F60 M275 R276	M31-L34 WeakPolarHBondContact O-CB 3.39Å; M31-L34 PolarHBondContact O-N 3.04Å; M31-L34 VanDerWaalsContact O-N 3.12Å; M31-L34 HydrophobicContact SD-CD1 4.33Å; H32-L34 VanDerWaalsContact C-N 3.29Å; H32-L34 PolarHBondContact O-N 3.33Å; L34-K38 WeakPolarHBondContact O-CB 3.35Å; L34-K38 PolarHBondContact O-N 3.1Å; L34-F60 HydrophobicContact CD2-CE2 4.29Å; L34-F60 HydrophobicContact CD2-CZ 3.93Å; L34-M275 HydrophobicContact CD1-CB 4.5Å; L34-R276 HydrophobicContact CD1-CB 4.24Å
35	D	91.5	Very high	90.8	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.07	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-42.3	175	-84.1	3.1	0	0	0	112.2	M31 H32 P33 K38 T39 K134 R276	M31-D35 PolarHBondContact O-N 2.97Å; H32-D35 WeakPolarHBondContact O-CA 3.44Å; H32-D35 WeakPolarHBondContact O-CB 3.2Å; H32-D35 PolarHBondContact O-N 3.49Å; P33-D35 VanDerWaalsContact C-N 3.32Å; P33-D35 PolarHBondContact O-N 3.34Å; D35-K38 PolarHBondContact O-N 3.39Å; D35-T39 WeakPolarHBondContact O-CB 3.41Å; D35-T39 PolarHBondContact O-N 2.89Å; D35-T39 PolarHBondContact O-OG1 2.92Å; D35-K134 IonicContact OD2-NZ 3.17Å; D35-K134 PolarHBondContact OD2-NZ 2.9Å; D35-R276 IonicContact OD1-CZ 2.89Å; D35-R276 IonicContact OD1-NE 2.65Å; D35-R276 IonicContact OD1-NH1 2.68Å; D35-R276 PolarHBondContact OD1-NH1 3.46Å; D35-R276 IonicContact OD2-CZ 3.23Å; D35-R276 IonicContact OD2-NH1 2.73Å; D35-R276 PolarHBondContact OD2-NH1 3.09Å
36	V	91.8	Very high	89.5	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-50.5	176.3	175.2	0	0	0	0	110.4	H32 P33 K38 T39 R40 I63 F72 Q138	H32-V36 PolarHBondContact O-N 3.44Å; P33-V36 PolarHBondContact O-N 3.32Å; V36-K38 PolarHBondContact O-N 3.43Å; V36-T39 PolarHBondContact O-N 3.33Å; V36-R40 WeakPolarHBondContact O-CG 3.25Å; V36-R40 PolarHBondContact O-N 3.42Å; V36-I63 HydrophobicContact CG1-CD1 4.21Å; V36-F72 WeakPolarHBondContact CG2-O 3.35Å; V36-Q138 HydrophobicContact CG2-CG 4.11Å
37	V	92	Very high	87.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-47.7	178.7	172.3	0	0	0	0	110.5	P33 T39 R40 F41 L56 F60 I63 P272	P33-V37 WeakPolarHBondContact O-CG2 3.45Å; P33-V37 PolarHBondContact O-N 3.48Å; P33-V37 VanDerWaalsContact O-N 3.16Å; V37-T39 PolarHBondContact O-N 3.26Å; V37-R40 PolarHBondContact O-N 3.03Å; V37-F41 HydrophobicContact CG1-CD2 3.72Å; V37-F41 HydrophobicContact CG1-CE2 3.89Å; V37-F41 WeakPolarHBondContact O-CB 3.28Å; V37-F41 WeakPolarHBondContact O-CD2 3.4Å; V37-F41 PolarHBondContact O-N 3.5Å; V37-L56 HydrophobicContact CG1-CG 4.42Å; V37-F60 HydrophobicContact CB-CE2 4.42Å; V37-F60 HydrophobicContact CB-CZ 4.5Å; V37-F60 HydrophobicContact CG1-CE2 4.37Å; V37-F60 HydrophobicContact CG2-CD1 4.3Å; V37-F60 HydrophobicContact CG2-CD2 4.12Å; V37-F60 HydrophobicContact CG2-CE1 4.02Å; V37-F60 HydrophobicContact CG2-CE2 3.82Å; V37-F60 HydrophobicContact CG2-CG 4.34Å; V37-F60 HydrophobicContact CG2-CZ 3.77Å; V37-I63 HydrophobicContact CG2-CD1 3.77Å; V37-P272 HydrophobicContact CG1-CG 4.48Å
38	K	92	Very high	85.6	Confident	14 Å²	14	31.7 Å²	31.7	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-55.5	-53.4	176.9	-177.7	-175.9	170.3	-178.1	0	111.8	L34 D35 V36 R40 F41 Q42 D229 P272 K273	L34-K38 WeakPolarHBondContact O-CB 3.35Å; L34-K38 PolarHBondContact O-N 3.1Å; D35-K38 PolarHBondContact O-N 3.39Å; V36-K38 PolarHBondContact O-N 3.43Å; K38-R40 VanDerWaalsContact C-N 3.3Å; K38-R40 PolarHBondContact O-N 3.13Å; K38-F41 WeakPolarHBondContact O-CB 3.29Å; K38-F41 PolarHBondContact O-N 2.9Å; K38-Q42 VanDerWaalsContact CE-NE2 3.29Å; K38-Q42 HydrophobicContact CG-CG 4.5Å; K38-Q42 VanDerWaalsContact O-CG 3.26Å; K38-Q42 WeakPolarHBondContact O-CG 3.35Å; K38-Q42 PolarHBondContact O-N 3.2Å; K38-D229 IonicContact NZ-OD2 3.76Å; K38-D229 PolarHBondContact NZ-OD2 3.27Å; K38-P272 HydrophobicContact CB-CB 3.79Å; K38-P272 HydrophobicContact CB-CG 4.36Å; K38-P272 HydrophobicContact CG-CB 4.3Å; K38-K273 HydrophobicContact CD-CB 4.21Å
39	T	90.9	Very high	84.1	Confident	10 Å²	10	33.9 Å²	33.9	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-41	-175.4	-74.1	0	0	0	0	111.1	D35 V36 V37 Q42 I43 V135 Q138	D35-T39 WeakPolarHBondContact O-CB 3.41Å; D35-T39 PolarHBondContact O-N 2.89Å; D35-T39 PolarHBondContact O-OG1 2.92Å; V36-T39 PolarHBondContact O-N 3.33Å; V37-T39 PolarHBondContact O-N 3.26Å; T39-Q42 PolarHBondContact O-N 3.07Å; T39-I43 HydrophobicContact CG2-CD1 3.72Å; T39-I43 HydrophobicContact CG2-CG1 4.47Å; T39-I43 VanDerWaalsContact O-CG1 3.24Å; T39-I43 WeakPolarHBondContact O-CG1 3.45Å; T39-I43 PolarHBondContact O-N 3.3Å; T39-V135 HydrophobicContact CG2-CB 4.45Å; T39-V135 HydrophobicContact CG2-CG1 4.06Å; T39-V135 HydrophobicContact CG2-CG2 4.33Å; T39-Q138 HydrophobicContact CG2-CB 3.93Å; T39-Q138 PolarHBondContact OG1-OE1 3.48Å
40	R	90.3	Very high	82.5	Confident	5 Å²	5	37.7 Å²	37.7	2%	0.019	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-42.7	176.9	-69.7	-179.7	175.5	-160.8	4.5	113	V36 V37 K38 Q42 I43 Q44 Y53 E67 Q138 N140	V36-R40 WeakPolarHBondContact O-CG 3.25Å; V36-R40 PolarHBondContact O-N 3.42Å; V37-R40 PolarHBondContact O-N 3.03Å; K38-R40 VanDerWaalsContact C-N 3.3Å; K38-R40 PolarHBondContact O-N 3.13Å; R40-Q42 PolarHBondContact O-N 3.31Å; R40-I43 PolarHBondContact O-N 3.48Å; R40-Q44 WeakPolarHBondContact O-CB 3.4Å; R40-Q44 PolarHBondContact O-N 3.16Å; R40-Y53 HydrophobicContact CB-CE2 3.81Å; R40-Y53 PolarHBondContact NH1-OH 2.99Å; R40-Y53 VanDerWaalsContact NH1-OH 3.07Å; R40-E67 IonicContact CZ-OE1 3.92Å; R40-E67 IonicContact CZ-OE2 2.67Å; R40-E67 IonicContact NH1-OE1 2.79Å; R40-E67 PolarHBondContact NH1-OE1 3.46Å; R40-E67 IonicContact NH1-OE2 3.75Å; R40-E67 IonicContact NH2-OE1 3.79Å; R40-E67 PolarHBondContact NH2-OE1 2.96Å; R40-E67 IonicContact NH2-OE2 2.71Å; R40-E67 PolarHBondContact NH2-OE2 3.38Å; R40-Q138 PolarHBondContact NE-O 2.95Å; R40-N140 PolarHBondContact NH2-O 3.48Å; R40-N140 VanDerWaalsContact NH2-O 3.1Å
41	F	88.1	Confident	81.2	Confident	30 Å²	30	36.4 Å²	36.4	13%	0.132	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-38.3	172.4	-101.8	-76.1	0	0	0	112.8	V37 K38 S55 S59	V37-F41 HydrophobicContact CG1-CD2 3.72Å; V37-F41 HydrophobicContact CG1-CE2 3.89Å; V37-F41 WeakPolarHBondContact O-CB 3.28Å; V37-F41 WeakPolarHBondContact O-CD2 3.4Å; V37-F41 PolarHBondContact O-N 3.5Å; K38-F41 WeakPolarHBondContact O-CB 3.29Å; K38-F41 PolarHBondContact O-N 2.9Å; F41-S55 WeakPolarHBondContact CZ-O 3.3Å; F41-S59 WeakPolarHBondContact CE2-OG 3.34Å; F41-S59 WeakPolarHBondContact CZ-OG 3.1Å
42	Q	88.5	Confident	80.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-74.4	-33.5	-179.2	-71.1	-176.8	-27.2	0	0	113	K38 T39 R40 D229 V230 S233 R234 K268	K38-Q42 VanDerWaalsContact CE-NE2 3.29Å; K38-Q42 HydrophobicContact CG-CG 4.5Å; K38-Q42 VanDerWaalsContact O-CG 3.26Å; K38-Q42 WeakPolarHBondContact O-CG 3.35Å; K38-Q42 PolarHBondContact O-N 3.2Å; T39-Q42 PolarHBondContact O-N 3.07Å; R40-Q42 PolarHBondContact O-N 3.31Å; Q42-D229 VanDerWaalsContact NE2-CB 3.29Å; Q42-V230 HydrophobicContact CB-CG2 4.5Å; Q42-V230 HydrophobicContact CG-CG2 4.07Å; Q42-S233 PolarHBondContact OE1-OG 2.8Å; Q42-R234 WeakPolarHBondContact O-CG 3.39Å; Q42-R234 PolarHBondContact O-NE 3Å; Q42-K268 VanDerWaalsContact CG-O 3.23Å; Q42-K268 WeakPolarHBondContact CG-O 3.39Å; Q42-K268 PolarHBondContact NE2-O 3.19Å
43	I	87.3	Confident	79.5	Confident	18 Å²	18	37.5 Å²	37.5	9%	0.092	23%	0.226	C	C	.	.	H	α-helix	trans	-74.4	-33.6	175.5	-66.9	168.7	0	0	0	110.9	T39 R40 R45 V135 A139 P238	T39-I43 HydrophobicContact CG2-CD1 3.72Å; T39-I43 HydrophobicContact CG2-CG1 4.47Å; T39-I43 VanDerWaalsContact O-CG1 3.24Å; T39-I43 WeakPolarHBondContact O-CG1 3.45Å; T39-I43 PolarHBondContact O-N 3.3Å; R40-I43 PolarHBondContact O-N 3.48Å; I43-R45 PolarHBondContact O-N 3.26Å; I43-V135 HydrophobicContact CD1-CG1 3.97Å; I43-A139 HydrophobicContact CD1-CB 3.56Å; I43-P238 HydrophobicContact CG2-CG 4.38Å
44	Q	83.8	Confident	78.8	Confident	12 Å²	12	45.5 Å²	45.5	6%	0.056	26%	0.258	C	S	.	.			trans	-56.7	127.3	-178.6	-178.9	-179.8	-46.4	0	0	112	R40 S52 Y53 R234 K268	R40-Q44 WeakPolarHBondContact O-CB 3.4Å; R40-Q44 PolarHBondContact O-N 3.16Å; Q44-S52 PolarHBondContact NE2-OG 2.84Å; Q44-Y53 VanDerWaalsContact CD-N 3.33Å; Q44-Y53 PolarHBondContact NE2-O 3.04Å; Q44-R234 PolarHBondContact O-NH2 2.83Å; Q44-K268 PolarHBondContact O-NZ 3.27Å
45	R	79.8	Confident	78.5	Confident	55 Å²	55	46.8 Å²	46.8	21%	0.208	27%	0.269	C	S	.	.			trans	-95.6	-178.9	178.9	-64.9	164.2	-175.3	138.9	2.1	109.6	I43 P238 P240	I43-R45 PolarHBondContact O-N 3.26Å; R45-P238 PolarHBondContact NH1-O 3.34Å; R45-P238 PolarHBondContact NH2-O 2.94Å; R45-P240 VanDerWaalsContact CZ-CG 3.49Å
46	C	64.8	Low	78.2	Confident	70 Å²	70	47.7 Å²	47.7	47%	0.473	27%	0.274	S	S	.	.	S	Bend	trans	-50.2	164.9	-173.9	-139.1	0	0	0	0	114.8	T48 D49 E261	C46-T48 PolarHBondContact O-N 3.01Å; C46-D49 PolarHBondContact O-N 3.28Å; C46-E261 HydrophobicContact CB-CG 4.12Å
47	A	52.8	Low	78.1	Confident	88 Å²	88	51.8 Å²	51.8	73%	0.727	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-2.5	-163	0	0	0	0	0	118.3
48	T	52.5	Low	77.9	Confident	135 Å²	135	54 Å²	54	83%	0.828	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.9	178.7	46	0	0	0	0	114	C46 P50	C46-T48 PolarHBondContact O-N 3.01Å; T48-P50 VanDerWaalsContact O-CD 3.29Å; T48-P50 WeakPolarHBondContact O-CD 3.22Å
49	D	61	Low	77.7	Confident	55 Å²	55	53.3 Å²	53.3	29%	0.294	31%	0.308	S	S	.	.			trans	-70.8	116.6	169.2	-172.2	-12.3	0	0	0	109.1	C46 N51 S52 R141	C46-D49 PolarHBondContact O-N 3.28Å; D49-N51 PolarHBondContact O-N 3.49Å; D49-N51 PolarHBondContact OD1-N 3.31Å; D49-S52 WeakPolarHBondContact O-CB 3.38Å; D49-S52 PolarHBondContact O-N 3.29Å; D49-R141 IonicContact OD2-NH2 3.64Å
50	P	60	Low	77.6	Confident	124 Å²	124	55.6 Å²	55.6	81%	0.805	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-20.5	178.1	-23.4	33.7	0	0	0	113.2	T48	T48-P50 VanDerWaalsContact O-CD 3.29Å; T48-P50 WeakPolarHBondContact O-CD 3.22Å
51	N	64.6	Low	77.6	Confident	69 Å²	69	60.4 Å²	60.4	37%	0.369	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	26.5	180	-62.5	-49.2	0	0	0	112.8	D49 M62 R141	D49-N51 PolarHBondContact O-N 3.49Å; D49-N51 PolarHBondContact OD1-N 3.31Å; N51-M62 HydrophobicContact CB-CE 3.89Å; N51-R141 VanDerWaalsContact CB-NH1 3.34Å; N51-R141 VanDerWaalsContact O-CZ 3.3Å; N51-R141 PolarHBondContact O-NH1 3.15Å; N51-R141 PolarHBondContact O-NH2 2.93Å
52	S	73.8	Confident	77.6	Confident	32 Å²	32	60.8 Å²	60.8	22%	0.224	34%	0.342	C	S	.	.			trans	-71.7	123	177.9	175.6	0	0	0	0	111.3	Q44 D49	Q44-S52 PolarHBondContact NE2-OG 2.84Å; D49-S52 WeakPolarHBondContact O-CB 3.38Å; D49-S52 PolarHBondContact O-N 3.29Å
53	Y	78.2	Confident	77.6	Confident	7 Å²	7	60.7 Å²	60.7	3%	0.027	34%	0.342	C	S	.	.			trans	-72	128.8	172.2	-58.8	-65.1	0	0	0	110.9	R40 Q44 S59 M62 R141	R40-Y53 HydrophobicContact CB-CE2 3.81Å; R40-Y53 PolarHBondContact NH1-OH 2.99Å; R40-Y53 VanDerWaalsContact NH1-OH 3.07Å; Q44-Y53 VanDerWaalsContact CD-N 3.33Å; Q44-Y53 PolarHBondContact NE2-O 3.04Å; Y53-S59 WeakPolarHBondContact CB-OG 3.35Å; Y53-S59 VanDerWaalsContact CD1-OG 3.27Å; Y53-S59 WeakPolarHBondContact CD1-OG 3.4Å; Y53-M62 HydrophobicContact CD1-CB 4.4Å; Y53-M62 HydrophobicContact CD1-SD 3.78Å; Y53-M62 HydrophobicContact CE1-CB 3.94Å; Y53-M62 HydrophobicContact CE1-CG 4Å; Y53-M62 HydrophobicContact CE1-SD 3.44Å; Y53-M62 WeakPolarHBondContact CE1-SD 3.49Å; Y53-R141 PolarHBondContact OH-NH1 3.05Å
54	K	79.4	Confident	77.8	Confident	191 Å²	191	65.7 Å²	65.7	83%	0.83	36%	0.363	S	S	*	.			trans	-86	-33.3	179.2	-63.2	178.5	-176.7	175.1	0	112.1	D58	K54-D58 PolarHBondContact N-OD2 3.38Å
55	S	84.7	Confident	78	Confident	53 Å²	53	72.3 Å²	72.3	37%	0.371	39%	0.394	S	S	.	.	S	Bend	trans	-149	168.1	-179.1	75.7	0	0	0	0	111.7	F41 V57 D58 S59	F41-S55 WeakPolarHBondContact CZ-O 3.3Å; S55-V57 VanDerWaalsContact C-N 3.31Å; S55-V57 PolarHBondContact O-N 3.02Å; S55-D58 PolarHBondContact O-N 3.16Å; S55-D58 VanDerWaalsContact OG-CB 3.26Å; S55-D58 WeakPolarHBondContact OG-CB 3.43Å; S55-D58 PolarHBondContact OG-N 3.49Å; S55-D58 VanDerWaalsContact OG-N 3.08Å; S55-S59 PolarHBondContact O-N 2.77Å; S55-S59 PolarHBondContact O-OG 2.97Å
56	L	86.3	Confident	78.3	Confident	32 Å²	32	75.7 Å²	75.7	17%	0.168	41%	0.414	C	S	.	.	H	α-helix	trans	-60.1	-44.4	175.9	-172.7	138	0	0	0	111	V37 S59 F60 L271 P272 M275	V37-L56 HydrophobicContact CG1-CG 4.42Å; L56-S59 WeakPolarHBondContact O-CB 3.41Å; L56-S59 PolarHBondContact O-N 2.95Å; L56-F60 HydrophobicContact CD2-CD2 3.83Å; L56-F60 HydrophobicContact CD2-CE2 3.58Å; L56-F60 HydrophobicContact CG-CD2 4.31Å; L56-F60 HydrophobicContact CG-CE2 4.05Å; L56-F60 VanDerWaalsContact O-CD2 3.25Å; L56-F60 WeakPolarHBondContact O-CD2 2.87Å; L56-F60 PolarHBondContact O-N 3.36Å; L56-F60 VanDerWaalsContact O-N 3.16Å; L56-L271 HydrophobicContact CD1-CD2 4.09Å; L56-L271 HydrophobicContact CD1-CG 4.21Å; L56-P272 HydrophobicContact CD1-CB 4.45Å; L56-P272 HydrophobicContact CD1-CG 3.66Å; L56-M275 HydrophobicContact CD1-SD 4.06Å
57	V	88.5	Confident	79.4	Confident	87 Å²	87	73.1 Å²	73.1	53%	0.527	40%	0.395	S	S	.	.	H	α-helix	trans	-63.9	-44.4	178.3	179.4	0	0	0	0	111.2	S55 S59 F60 Q61	S55-V57 VanDerWaalsContact C-N 3.31Å; S55-V57 PolarHBondContact O-N 3.02Å; V57-S59 PolarHBondContact O-N 3.33Å; V57-F60 PolarHBondContact O-N 2.99Å; V57-F60 VanDerWaalsContact O-N 3.13Å; V57-Q61 HydrophobicContact CG1-CG 4.41Å; V57-Q61 WeakPolarHBondContact O-CG 3.27Å; V57-Q61 PolarHBondContact O-N 3.49Å
58	D	88.4	Confident	81.1	Confident	46 Å²	46	70.2 Å²	70.2	25%	0.246	37%	0.373	C	S	.	.	H	α-helix	trans	-58.3	-36.9	175.3	178.7	58.1	0	0	0	111.5	K54 S55 Q61 M62	K54-D58 PolarHBondContact N-OD2 3.38Å; S55-D58 PolarHBondContact O-N 3.16Å; S55-D58 VanDerWaalsContact OG-CB 3.26Å; S55-D58 WeakPolarHBondContact OG-CB 3.43Å; S55-D58 PolarHBondContact OG-N 3.49Å; S55-D58 VanDerWaalsContact OG-N 3.08Å; D58-Q61 PolarHBondContact O-N 3.16Å; D58-M62 WeakPolarHBondContact O-CB 3.12Å; D58-M62 PolarHBondContact O-N 3.33Å
59	S	87.2	Confident	82.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-44.8	174.2	-54.5	0	0	0	0	113.3	F41 Y53 S55 L56 V57 I63	F41-S59 WeakPolarHBondContact CE2-OG 3.34Å; F41-S59 WeakPolarHBondContact CZ-OG 3.1Å; Y53-S59 WeakPolarHBondContact CB-OG 3.35Å; Y53-S59 VanDerWaalsContact CD1-OG 3.27Å; Y53-S59 WeakPolarHBondContact CD1-OG 3.4Å; S55-S59 PolarHBondContact O-N 2.77Å; S55-S59 PolarHBondContact O-OG 2.97Å; L56-S59 WeakPolarHBondContact O-CB 3.41Å; L56-S59 PolarHBondContact O-N 2.95Å; V57-S59 PolarHBondContact O-N 3.33Å; S59-I63 WeakPolarHBondContact O-CB 3.05Å; S59-I63 WeakPolarHBondContact O-CD1 3.41Å; S59-I63 WeakPolarHBondContact O-CG1 3.44Å; S59-I63 PolarHBondContact O-N 2.89Å
60	F	90.5	Very high	84.1	Confident	57 Å²	57	72.7 Å²	72.7	25%	0.25	38%	0.375	C	S	.	.	H	α-helix	trans	-61.9	-45.9	175.9	-82.5	-80.2	0	0	0	111.1	P33 L34 V37 L56 V57 I63 F64 F72	P33-F60 HydrophobicContact CB-CE1 4.13Å; L34-F60 HydrophobicContact CD2-CE2 4.29Å; L34-F60 HydrophobicContact CD2-CZ 3.93Å; V37-F60 HydrophobicContact CB-CE2 4.42Å; V37-F60 HydrophobicContact CB-CZ 4.5Å; V37-F60 HydrophobicContact CG1-CE2 4.37Å; V37-F60 HydrophobicContact CG2-CD1 4.3Å; V37-F60 HydrophobicContact CG2-CD2 4.12Å; V37-F60 HydrophobicContact CG2-CE1 4.02Å; V37-F60 HydrophobicContact CG2-CE2 3.82Å; V37-F60 HydrophobicContact CG2-CG 4.34Å; V37-F60 HydrophobicContact CG2-CZ 3.77Å; L56-F60 HydrophobicContact CD2-CD2 3.83Å; L56-F60 HydrophobicContact CD2-CE2 3.58Å; L56-F60 HydrophobicContact CG-CD2 4.31Å; L56-F60 HydrophobicContact CG-CE2 4.05Å; L56-F60 VanDerWaalsContact O-CD2 3.25Å; L56-F60 WeakPolarHBondContact O-CD2 2.87Å; L56-F60 PolarHBondContact O-N 3.36Å; L56-F60 VanDerWaalsContact O-N 3.16Å; V57-F60 PolarHBondContact O-N 2.99Å; V57-F60 VanDerWaalsContact O-N 3.13Å; F60-I63 PolarHBondContact O-N 3.31Å; F60-F64 WeakPolarHBondContact O-CB 3.34Å; F60-F64 PolarHBondContact O-N 3.25Å; F60-F72 HydrophobicContact CD1-CD1 4.18Å; F60-F72 AromaticContact CD1-CE1 3.35Å; F60-F72 HydrophobicContact CD1-CE1 3.35Å; F60-F72 AromaticContact CD1-CZ 3.78Å; F60-F72 HydrophobicContact CD1-CZ 3.78Å; F60-F72 HydrophobicContact CE1-CD1 4.23Å; F60-F72 AromaticContact CE1-CE1 3.83Å; F60-F72 HydrophobicContact CE1-CE1 3.83Å; F60-F72 HydrophobicContact CG-CE1 4.26Å; F60-F72 WeakPolarHBondContact O-CZ 3.22Å
61	Q	90.2	Very high	85.5	Confident	106 Å²	106	66.8 Å²	66.8	50%	0.495	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-48.9	179	-72.1	175.3	-18.8	0	0	111.8	V57 D58 I63 F64 Q65	V57-Q61 HydrophobicContact CG1-CG 4.41Å; V57-Q61 WeakPolarHBondContact O-CG 3.27Å; V57-Q61 PolarHBondContact O-N 3.49Å; D58-Q61 PolarHBondContact O-N 3.16Å; Q61-I63 PolarHBondContact O-N 3.14Å; Q61-F64 PolarHBondContact O-N 3.03Å; Q61-Q65 WeakPolarHBondContact O-CB 3.47Å; Q61-Q65 VanDerWaalsContact O-CG 3.3Å; Q61-Q65 WeakPolarHBondContact O-CG 3.47Å; Q61-Q65 PolarHBondContact O-N 3.4Å
62	M	87.6	Confident	86.7	Confident	38 Å²	38	64.2 Å²	64.2	19%	0.187	32%	0.322	C	S	.	.	H	α-helix	trans	-66.9	-37.9	-178.7	-176.7	-178.4	177	0	0	112.1	N51 Y53 D58 M66	N51-M62 HydrophobicContact CB-CE 3.89Å; Y53-M62 HydrophobicContact CD1-CB 4.4Å; Y53-M62 HydrophobicContact CD1-SD 3.78Å; Y53-M62 HydrophobicContact CE1-CB 3.94Å; Y53-M62 HydrophobicContact CE1-CG 4Å; Y53-M62 HydrophobicContact CE1-SD 3.44Å; Y53-M62 WeakPolarHBondContact CE1-SD 3.49Å; D58-M62 WeakPolarHBondContact O-CB 3.12Å; D58-M62 PolarHBondContact O-N 3.33Å; M62-M66 HydrophobicContact CG-CG 4.12Å; M62-M66 VanDerWaalsContact O-CB 3.25Å; M62-M66 WeakPolarHBondContact O-CB 3.14Å; M62-M66 VanDerWaalsContact O-CG 3.25Å; M62-M66 WeakPolarHBondContact O-CG 3.42Å; M62-M66 PolarHBondContact O-N 2.81Å
63	I	89.1	Confident	87.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-47.2	173.1	-68.7	165.8	0	0	0	110.2	V36 V37 S59 F60 Q61 Q65 E67 G68 F72	V36-I63 HydrophobicContact CG1-CD1 4.21Å; V37-I63 HydrophobicContact CG2-CD1 3.77Å; S59-I63 WeakPolarHBondContact O-CB 3.05Å; S59-I63 WeakPolarHBondContact O-CD1 3.41Å; S59-I63 WeakPolarHBondContact O-CG1 3.44Å; S59-I63 PolarHBondContact O-N 2.89Å; F60-I63 PolarHBondContact O-N 3.31Å; Q61-I63 PolarHBondContact O-N 3.14Å; I63-Q65 PolarHBondContact O-N 3.33Å; I63-E67 WeakPolarHBondContact O-CA 3.49Å; I63-E67 WeakPolarHBondContact O-CB 3.19Å; I63-E67 PolarHBondContact O-N 3.47Å; I63-G68 PolarHBondContact O-N 3.29Å; I63-F72 HydrophobicContact CB-CD1 4.43Å; I63-F72 HydrophobicContact CB-CE1 3.73Å; I63-F72 HydrophobicContact CB-CZ 3.82Å; I63-F72 HydrophobicContact CD1-CD1 4.34Å; I63-F72 HydrophobicContact CD1-CE1 3.94Å; I63-F72 HydrophobicContact CG1-CE1 4.44Å; I63-F72 HydrophobicContact CG2-CD1 3.77Å; I63-F72 HydrophobicContact CG2-CD2 4.22Å; I63-F72 HydrophobicContact CG2-CE1 3.51Å; I63-F72 HydrophobicContact CG2-CE2 4Å; I63-F72 HydrophobicContact CG2-CG 4.12Å; I63-F72 HydrophobicContact CG2-CZ 3.64Å
64	F	90.6	Very high	88.1	Confident	122 Å²	122	66.5 Å²	66.5	54%	0.535	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-41.6	-178.9	-175.7	-101.3	0	0	0	112.1	F60 Q61 G68 F72	F60-F64 WeakPolarHBondContact O-CB 3.34Å; F60-F64 PolarHBondContact O-N 3.25Å; Q61-F64 PolarHBondContact O-N 3.03Å; F64-G68 WeakPolarHBondContact O-CA 3.44Å; F64-G68 PolarHBondContact O-N 3.47Å; F64-G68 VanDerWaalsContact O-N 3.11Å; F64-F72 HydrophobicContact CB-CE2 4.13Å; F64-F72 HydrophobicContact CB-CZ 4.24Å; F64-F72 HydrophobicContact CD2-CE2 4.28Å
65	Q	88.4	Confident	88.6	Confident	152 Å²	152	57.8 Å²	57.8	71%	0.71	29%	0.291	S	S	*	.	H	α-helix	trans	-71.7	-41.7	-180	-72.1	175.2	-1	0	0	113.1	Q61 I63	Q61-Q65 WeakPolarHBondContact O-CB 3.47Å; Q61-Q65 VanDerWaalsContact O-CG 3.3Å; Q61-Q65 WeakPolarHBondContact O-CG 3.47Å; Q61-Q65 PolarHBondContact O-N 3.4Å; I63-Q65 PolarHBondContact O-N 3.33Å
66	M	86.2	Confident	89.1	Confident	126 Å²	126	56.5 Å²	56.5	62%	0.621	28%	0.279	S	S	*	.	H	α-helix	trans	-87.9	-31.9	-173.5	-63.1	-64.3	-70.4	0	0	113.3	M62	M62-M66 HydrophobicContact CG-CG 4.12Å; M62-M66 VanDerWaalsContact O-CB 3.25Å; M62-M66 WeakPolarHBondContact O-CB 3.14Å; M62-M66 VanDerWaalsContact O-CG 3.25Å; M62-M66 WeakPolarHBondContact O-CG 3.42Å; M62-M66 PolarHBondContact O-N 2.81Å
67	E	87.3	Confident	89.4	Confident	15 Å²	15	59.4 Å²	59.4	7%	0.07	29%	0.294	C	S	.	.	H	α-helix	trans	-123.5	-9.2	-170.3	-59.8	175	-143.9	0	0	113.5	R40 I63 K74 R141	R40-E67 IonicContact CZ-OE1 3.92Å; R40-E67 IonicContact CZ-OE2 2.67Å; R40-E67 IonicContact NH1-OE1 2.79Å; R40-E67 PolarHBondContact NH1-OE1 3.46Å; R40-E67 IonicContact NH1-OE2 3.75Å; R40-E67 IonicContact NH2-OE1 3.79Å; R40-E67 PolarHBondContact NH2-OE1 2.96Å; R40-E67 IonicContact NH2-OE2 2.71Å; R40-E67 PolarHBondContact NH2-OE2 3.38Å; I63-E67 WeakPolarHBondContact O-CA 3.49Å; I63-E67 WeakPolarHBondContact O-CB 3.19Å; I63-E67 PolarHBondContact O-N 3.47Å; E67-K74 VanDerWaalsContact OE2-CE 3.28Å; E67-K74 WeakPolarHBondContact OE2-CE 3.31Å; E67-K74 IonicContact OE2-NZ 3.6Å; E67-K74 PolarHBondContact OE2-NZ 3.17Å; E67-R141 WeakPolarHBondContact CG-O 3.42Å; E67-R141 WeakPolarHBondContact OE1-CA 3.43Å
68	G	88.3	Confident	89.6	Confident	27 Å²	27	55.3 Å²	55.3	28%	0.278	27%	0.27	S	S	.	.			trans	71.7	-171.6	-175.5	0	0	0	0	0	113.6	I63 F64 F70 G71	I63-G68 PolarHBondContact O-N 3.29Å; F64-G68 WeakPolarHBondContact O-CA 3.44Å; F64-G68 PolarHBondContact O-N 3.47Å; F64-G68 VanDerWaalsContact O-N 3.11Å; G68-F70 VanDerWaalsContact C-N 3.28Å; G68-F70 PolarHBondContact O-N 2.89Å; G68-G71 PolarHBondContact O-N 2.98Å; G68-G71 VanDerWaalsContact O-N 3.11Å
69	L	88.7	Confident	89.8	Confident	106 Å²	106	54 Å²	54	56%	0.555	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-60.9	-35.2	-177.3	-173.4	64.8	0	0	0	113	G71 F72	L69-G71 PolarHBondContact O-N 3.28Å; L69-F72 HydrophobicContact CD1-CD2 4.5Å; L69-F72 WeakPolarHBondContact O-CD2 3.34Å; L69-F72 PolarHBondContact O-N 3.47Å
70	F	89.2	Confident	90.1	Very high	136 Å²	136	56.5 Å²	56.5	60%	0.596	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-72.3	-15.6	179.8	-62.5	-67.9	0	0	0	113.4	G68 F72 Y73 F144	G68-F70 VanDerWaalsContact C-N 3.28Å; G68-F70 PolarHBondContact O-N 2.89Å; F70-F72 PolarHBondContact O-N 3.44Å; F70-Y73 PolarHBondContact O-N 3.42Å; F70-F144 HydrophobicContact CB-CB 4Å; F70-F144 HydrophobicContact CB-CD1 4.18Å; F70-F144 HydrophobicContact CB-CD2 3.93Å; F70-F144 HydrophobicContact CB-CE2 4.47Å; F70-F144 HydrophobicContact CB-CG 3.78Å; F70-F144 WeakPolarHBondContact O-CD2 3.39Å
71	G	87.4	Confident	90.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-57.3	-34	172.2	0	0	0	0	0	112.9	G68 L69 Y73 K74	G68-G71 PolarHBondContact O-N 2.98Å; G68-G71 VanDerWaalsContact O-N 3.11Å; L69-G71 PolarHBondContact O-N 3.28Å; G71-Y73 VanDerWaalsContact C-N 3.25Å; G71-Y73 PolarHBondContact O-N 2.91Å; G71-K74 WeakPolarHBondContact O-CG 3.43Å
72	F	91.3	Very high	90.1	Very high	16 Å²	16	54.2 Å²	54.2	7%	0.07	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-71.9	-15.8	176.9	-62.9	-69.4	0	0	0	114.2	H32 P33 V36 F60 I63 F64 L69 F70	H32-F72 PolarHBondContact CD2-O 3.07Å; P33-F72 HydrophobicContact CB-CB 4.03Å; P33-F72 HydrophobicContact CB-CD1 4.06Å; P33-F72 HydrophobicContact CB-CG 4.27Å; P33-F72 HydrophobicContact CG-CB 4.13Å; V36-F72 WeakPolarHBondContact CG2-O 3.35Å; F60-F72 HydrophobicContact CD1-CD1 4.18Å; F60-F72 AromaticContact CD1-CE1 3.35Å; F60-F72 HydrophobicContact CD1-CE1 3.35Å; F60-F72 AromaticContact CD1-CZ 3.78Å; F60-F72 HydrophobicContact CD1-CZ 3.78Å; F60-F72 HydrophobicContact CE1-CD1 4.23Å; F60-F72 AromaticContact CE1-CE1 3.83Å; F60-F72 HydrophobicContact CE1-CE1 3.83Å; F60-F72 HydrophobicContact CG-CE1 4.26Å; F60-F72 WeakPolarHBondContact O-CZ 3.22Å; I63-F72 HydrophobicContact CB-CD1 4.43Å; I63-F72 HydrophobicContact CB-CE1 3.73Å; I63-F72 HydrophobicContact CB-CZ 3.82Å; I63-F72 HydrophobicContact CD1-CD1 4.34Å; I63-F72 HydrophobicContact CD1-CE1 3.94Å; I63-F72 HydrophobicContact CG1-CE1 4.44Å; I63-F72 HydrophobicContact CG2-CD1 3.77Å; I63-F72 HydrophobicContact CG2-CD2 4.22Å; I63-F72 HydrophobicContact CG2-CE1 3.51Å; I63-F72 HydrophobicContact CG2-CE2 4Å; I63-F72 HydrophobicContact CG2-CG 4.12Å; I63-F72 HydrophobicContact CG2-CZ 3.64Å; F64-F72 HydrophobicContact CB-CE2 4.13Å; F64-F72 HydrophobicContact CB-CZ 4.24Å; F64-F72 HydrophobicContact CD2-CE2 4.28Å; L69-F72 HydrophobicContact CD1-CD2 4.5Å; L69-F72 WeakPolarHBondContact O-CD2 3.34Å; L69-F72 PolarHBondContact O-N 3.47Å; F70-F72 PolarHBondContact O-N 3.44Å
73	Y	92	Very high	90.2	Very high	87 Å²	87	53.5 Å²	53.5	34%	0.341	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-104.5	7.8	-175.5	-70.3	-84	0	0	0	113.8	C29 F70 G71 G75 I76	C29-Y73 WeakPolarHBondContact O-CE1 3.16Å; C29-Y73 PolarHBondContact O-OH 2.94Å; F70-Y73 PolarHBondContact O-N 3.42Å; G71-Y73 VanDerWaalsContact C-N 3.25Å; G71-Y73 PolarHBondContact O-N 2.91Å; Y73-G75 PolarHBondContact O-N 3.34Å; Y73-I76 HydrophobicContact CD1-CD1 3.8Å; Y73-I76 HydrophobicContact CE1-CD1 4.3Å; Y73-I76 WeakPolarHBondContact O-CB 3.39Å; Y73-I76 WeakPolarHBondContact O-CG2 3.25Å; Y73-I76 PolarHBondContact O-N 2.97Å
74	K	89.4	Confident	90.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	129.9	178	-68.6	-175.1	162.9	177.2	0	112.1	H32 E67 G71 I76 Q138 N140 N142 F144	H32-K74 PolarHBondContact CE1-O 3.15Å; H32-K74 PolarHBondContact NE2-O 2.92Å; E67-K74 VanDerWaalsContact OE2-CE 3.28Å; E67-K74 WeakPolarHBondContact OE2-CE 3.31Å; E67-K74 IonicContact OE2-NZ 3.6Å; E67-K74 PolarHBondContact OE2-NZ 3.17Å; G71-K74 WeakPolarHBondContact O-CG 3.43Å; K74-I76 VanDerWaalsContact C-N 3.33Å; K74-I76 PolarHBondContact O-N 3.3Å; K74-Q138 VanDerWaalsContact O-CG 3.25Å; K74-Q138 WeakPolarHBondContact O-CG 3.31Å; K74-N140 PolarHBondContact NZ-O 3.43Å; K74-N142 PolarHBondContact NZ-O 2.96Å; K74-F144 HydrophobicContact CG-CD2 3.87Å; K74-F144 HydrophobicContact CG-CE2 4.31Å
75	G	89.9	Confident	90	Very high	8 Å²	8	54.3 Å²	54.3	8%	0.082	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	30	178.6	0	0	0	0	0	114.4	H32 Y73 P78 P79	H32-G75 PolarHBondContact CE1-O 3.37Å; Y73-G75 PolarHBondContact O-N 3.34Å; G75-P78 WeakPolarHBondContact O-CD 3.45Å; G75-P79 WeakPolarHBondContact O-CD 3.37Å
76	I	93.7	Very high	90.1	Very high	26 Å²	26	49.8 Å²	49.8	13%	0.133	26%	0.261	C	S	.	.			trans	-72.7	-29	175.5	-168.6	167.7	0	0	0	113.6	I28 H32 Y73 K74 P79 I80	I28-I76 HydrophobicContact CG2-CD1 4.2Å; I28-I76 HydrophobicContact CG2-CG1 3.89Å; H32-I76 HydrophobicContact CB-CD1 4.22Å; H32-I76 HydrophobicContact CB-CG1 4.47Å; H32-I76 WeakPolarHBondContact CE1-CA 3.48Å; H32-I76 PolarHBondContact CE1-N 3.36Å; Y73-I76 HydrophobicContact CD1-CD1 3.8Å; Y73-I76 HydrophobicContact CE1-CD1 4.3Å; Y73-I76 WeakPolarHBondContact O-CB 3.39Å; Y73-I76 WeakPolarHBondContact O-CG2 3.25Å; Y73-I76 PolarHBondContact O-N 2.97Å; K74-I76 VanDerWaalsContact C-N 3.33Å; K74-I76 PolarHBondContact O-N 3.3Å; I76-P79 WeakPolarHBondContact O-CD 3.48Å; I76-I80 HydrophobicContact CD1-CD1 4.26Å; I76-I80 HydrophobicContact CG1-CD1 3.81Å; I76-I80 HydrophobicContact CG1-CG1 4.27Å; I76-I80 WeakPolarHBondContact O-CG1 3.5Å; I76-I80 PolarHBondContact O-N 3.49Å
77	L	93.4	Very high	90.1	Very high	92 Å²	92	46.4 Å²	46.4	48%	0.482	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-45.7	-177	-65.1	179.2	0	0	0	114.1	I80 L81 T150	L77-I80 PolarHBondContact O-N 3.33Å; L77-L81 WeakPolarHBondContact O-CG 3.2Å; L77-L81 PolarHBondContact O-N 3.24Å; L77-T150 HydrophobicContact CB-CG2 4.32Å
78	P	93.3	Very high	90.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.013	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-46	178	-15.7	22.8	0	0	0	114.1	G75 I80 L81 A82 F130 V133 K134 L137 T150	G75-P78 WeakPolarHBondContact O-CD 3.45Å; P78-I80 PolarHBondContact O-N 3.01Å; P78-L81 PolarHBondContact O-N 2.9Å; P78-A82 WeakPolarHBondContact O-CB 3.27Å; P78-A82 PolarHBondContact O-N 3.09Å; P78-F130 HydrophobicContact CB-CB 4.09Å; P78-F130 HydrophobicContact CB-CD1 4.47Å; P78-F130 VanDerWaalsContact CB-O 3.27Å; P78-F130 WeakPolarHBondContact CB-O 3.02Å; P78-V133 HydrophobicContact CG-CB 4.27Å; P78-V133 HydrophobicContact CG-CG1 3.85Å; P78-K134 HydrophobicContact CB-CB 4.17Å; P78-K134 HydrophobicContact CG-CB 4.25Å; P78-L137 HydrophobicContact CG-CD1 4.47Å; P78-T150 HydrophobicContact CG-CG2 3.64Å
79	P	92.2	Very high	90.4	Very high	17 Å²	17	48.9 Å²	48.9	11%	0.11	26%	0.258	C	S	.	.	H	α-helix	trans	-53	-47.9	170.2	-27.9	32	0	0	0	114.3	I28 G75 I76 L81 A82 E83 K134	I28-P79 HydrophobicContact CD1-CB 4.37Å; I28-P79 HydrophobicContact CG2-CB 4.2Å; G75-P79 WeakPolarHBondContact O-CD 3.37Å; I76-P79 WeakPolarHBondContact O-CD 3.48Å; P79-L81 PolarHBondContact O-N 3.16Å; P79-A82 PolarHBondContact O-N 3.41Å; P79-E83 WeakPolarHBondContact O-CB 3.25Å; P79-E83 PolarHBondContact O-N 2.67Å; P79-K134 HydrophobicContact CG-CD 3.75Å; P79-K134 HydrophobicContact CG-CG 4.04Å
80	I	92.9	Very high	90.4	Very high	53 Å²	53	46 Å²	46	27%	0.272	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-47.1	-179.5	-68.1	171.9	0	0	0	110.5	L25 I28 I76 L77 P78 A82	L25-I80 HydrophobicContact CD1-CD1 3.7Å; L25-I80 HydrophobicContact CD1-CG1 3.92Å; L25-I80 HydrophobicContact CD1-CG2 4.03Å; I28-I80 HydrophobicContact CD1-CG1 4.33Å; I28-I80 HydrophobicContact CG2-CG1 3.95Å; I76-I80 HydrophobicContact CD1-CD1 4.26Å; I76-I80 HydrophobicContact CG1-CD1 3.81Å; I76-I80 HydrophobicContact CG1-CG1 4.27Å; I76-I80 WeakPolarHBondContact O-CG1 3.5Å; I76-I80 PolarHBondContact O-N 3.49Å; L77-I80 PolarHBondContact O-N 3.33Å; P78-I80 PolarHBondContact O-N 3.01Å; I80-A82 VanDerWaalsContact C-N 3.33Å; I80-A82 PolarHBondContact O-N 3.12Å
81	L	91.8	Very high	90.3	Very high	107 Å²	107	46.1 Å²	46.1	56%	0.56	24%	0.241	S	C	*	.	H	α-helix	trans	-67.7	-33.4	-179.8	-66.3	174	0	0	0	112.6	L77 P78 P79 P85 F130	L77-L81 WeakPolarHBondContact O-CG 3.2Å; L77-L81 PolarHBondContact O-N 3.24Å; P78-L81 PolarHBondContact O-N 2.9Å; P79-L81 PolarHBondContact O-N 3.16Å; L81-P85 VanDerWaalsContact O-CD 3.25Å; L81-P85 WeakPolarHBondContact O-CD 3.39Å; L81-F130 HydrophobicContact CB-CD1 4.25Å; L81-F130 HydrophobicContact CB-CE1 3.95Å
82	A	90.6	Very high	90.5	Very high	8 Å²	8	52.5 Å²	52.5	7%	0.066	27%	0.269	C	S	.	.	H	α-helix	trans	-82	-23.3	-178	0	0	0	0	0	113.2	P78 P79 I80 T84 P85 K86 F130	P78-A82 WeakPolarHBondContact O-CB 3.27Å; P78-A82 PolarHBondContact O-N 3.09Å; P79-A82 PolarHBondContact O-N 3.41Å; I80-A82 VanDerWaalsContact C-N 3.33Å; I80-A82 PolarHBondContact O-N 3.12Å; A82-T84 PolarHBondContact O-N 3.4Å; A82-P85 WeakPolarHBondContact O-CD 3.22Å; A82-K86 WeakPolarHBondContact O-CB 3.42Å; A82-K86 PolarHBondContact O-N 2.93Å; A82-F130 HydrophobicContact CB-CB 3.85Å; A82-F130 HydrophobicContact CB-CD1 4.13Å; A82-F130 HydrophobicContact CB-CD2 4.13Å; A82-F130 HydrophobicContact CB-CG 3.79Å
83	E	88.2	Confident	90.6	Very high	24 Å²	24	52.4 Å²	52.4	11%	0.112	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-45.6	-167.9	-170.7	62.8	-171.8	0	0	113.2	I28 P79 K86 R87	I28-E83 HydrophobicContact CD1-CB 3.93Å; I28-E83 HydrophobicContact CD1-CG 4.06Å; P79-E83 WeakPolarHBondContact O-CB 3.25Å; P79-E83 PolarHBondContact O-N 2.67Å; E83-K86 IonicContact OE2-NZ 2.67Å; E83-K86 PolarHBondContact OE2-NZ 3.08Å; E83-R87 WeakPolarHBondContact O-CG 3.26Å; E83-R87 PolarHBondContact O-N 3.07Å; E83-R87 VanDerWaalsContact O-N 3.09Å; E83-R87 IonicContact OE1-CZ 3.25Å; E83-R87 IonicContact OE1-NE 2.79Å; E83-R87 PolarHBondContact OE1-NE 3.45Å; E83-R87 IonicContact OE1-NH2 3.9Å; E83-R87 PolarHBondContact OE1-NH2 3.48Å
84	T	87.2	Confident	90.4	Very high	87 Å²	87	49.1 Å²	49.1	53%	0.534	26%	0.258	S	S	.	.	H	α-helix	trans	-66.7	-52.9	178.2	-58.5	0	0	0	0	112.1	A82 K86 R87 A88	A82-T84 PolarHBondContact O-N 3.4Å; T84-K86 VanDerWaalsContact C-N 3.32Å; T84-K86 PolarHBondContact O-N 2.86Å; T84-R87 PolarHBondContact O-N 3.16Å; T84-A88 WeakPolarHBondContact O-CB 3.24Å; T84-A88 PolarHBondContact O-N 3.49Å
85	P	89.3	Confident	90.4	Very high	52 Å²	52	52.9 Å²	52.9	34%	0.338	28%	0.275	S	S	.	.	H	α-helix	trans	-56.7	-43.8	176.1	-25.6	33.3	0	0	0	113.4	L81 A82 R87 A88 V89 V126	L81-P85 VanDerWaalsContact O-CD 3.25Å; L81-P85 WeakPolarHBondContact O-CD 3.39Å; A82-P85 WeakPolarHBondContact O-CD 3.22Å; P85-R87 PolarHBondContact O-N 3.31Å; P85-A88 PolarHBondContact O-N 2.99Å; P85-V89 WeakPolarHBondContact O-CB 3.25Å; P85-V89 VanDerWaalsContact O-CG2 3.28Å; P85-V89 WeakPolarHBondContact O-CG2 3.22Å; P85-V89 PolarHBondContact O-N 2.86Å; P85-V126 HydrophobicContact CB-CG1 4.42Å
86	K	89.4	Confident	90.5	Very high	57 Å²	57	56 Å²	56	25%	0.248	29%	0.288	C	S	.	.	H	α-helix	trans	-56	-51.4	178.3	174.2	-173.5	162.8	-155.5	0	111.6	A82 E83 T84 K90 E123 V127	A82-K86 WeakPolarHBondContact O-CB 3.42Å; A82-K86 PolarHBondContact O-N 2.93Å; E83-K86 IonicContact OE2-NZ 2.67Å; E83-K86 PolarHBondContact OE2-NZ 3.08Å; T84-K86 VanDerWaalsContact C-N 3.32Å; T84-K86 PolarHBondContact O-N 2.86Å; K86-K90 WeakPolarHBondContact O-CB 3.33Å; K86-K90 PolarHBondContact O-N 3.37Å; K86-E123 WeakPolarHBondContact CD-OE1 3.31Å; K86-E123 WeakPolarHBondContact CE-OE1 3.26Å; K86-E123 HydrophobicContact CG-CG 3.72Å; K86-E123 WeakPolarHBondContact CG-OE1 3.34Å; K86-V127 HydrophobicContact CB-CG1 3.64Å; K86-V127 HydrophobicContact CD-CG1 4.04Å; K86-V127 HydrophobicContact CG-CG1 3.69Å
87	R	87.3	Confident	90.5	Very high	55 Å²	55	58.5 Å²	58.5	21%	0.208	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-43.8	179.7	-72.5	-178.5	-178	-164.8	1.6	111.8	E83 T84 P85 V89 K90 F91 M284	E83-R87 WeakPolarHBondContact O-CG 3.26Å; E83-R87 PolarHBondContact O-N 3.07Å; E83-R87 VanDerWaalsContact O-N 3.09Å; E83-R87 IonicContact OE1-CZ 3.25Å; E83-R87 IonicContact OE1-NE 2.79Å; E83-R87 PolarHBondContact OE1-NE 3.45Å; E83-R87 IonicContact OE1-NH2 3.9Å; E83-R87 PolarHBondContact OE1-NH2 3.48Å; T84-R87 PolarHBondContact O-N 3.16Å; P85-R87 PolarHBondContact O-N 3.31Å; R87-V89 PolarHBondContact O-N 2.91Å; R87-K90 PolarHBondContact O-N 3.35Å; R87-F91 HydrophobicContact CB-CD2 4.34Å; R87-F91 HydrophobicContact CB-CE2 4.33Å; R87-F91 WeakPolarHBondContact O-CD2 3.49Å; R87-F91 PolarHBondContact O-N 2.66Å; R87-M284 PolarHBondContact NH2-SD 2.92Å
88	A	89	Confident	90.2	Very high	59 Å²	59	56.7 Å²	56.7	49%	0.488	28%	0.284	S	S	.	.	H	α-helix	trans	-57.8	-49.3	178.8	0	0	0	0	0	111.4	T84 P85 F92	T84-A88 WeakPolarHBondContact O-CB 3.24Å; T84-A88 PolarHBondContact O-N 3.49Å; P85-A88 PolarHBondContact O-N 2.99Å; A88-F92 WeakPolarHBondContact O-CB 3.41Å; A88-F92 PolarHBondContact O-N 2.99Å
89	V	92.1	Very high	90	Very high	35 Å²	35	62.5 Å²	62.5	21%	0.212	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-45.8	177.5	171.5	0	0	0	0	110.7	P85 R87 T93 T122 V126	P85-V89 WeakPolarHBondContact O-CB 3.25Å; P85-V89 VanDerWaalsContact O-CG2 3.28Å; P85-V89 WeakPolarHBondContact O-CG2 3.22Å; P85-V89 PolarHBondContact O-N 2.86Å; R87-V89 PolarHBondContact O-N 2.91Å; V89-T93 HydrophobicContact CG1-CG2 4.11Å; V89-T93 VanDerWaalsContact O-CB 3.31Å; V89-T93 WeakPolarHBondContact O-CB 3.4Å; V89-T93 VanDerWaalsContact O-CG2 3.22Å; V89-T93 WeakPolarHBondContact O-CG2 3.43Å; V89-T93 PolarHBondContact O-N 2.96Å; V89-T93 PolarHBondContact O-OG1 3.46Å; V89-T122 HydrophobicContact CG1-CG2 3.93Å; V89-V126 HydrophobicContact CG1-CG2 4.35Å; V89-V126 HydrophobicContact CG2-CG2 4.16Å
90	K	89.3	Confident	89.9	Confident	44 Å²	44	66.8 Å²	66.8	19%	0.191	33%	0.331	C	S	.	.	H	α-helix	trans	-58.1	-54.2	179.4	-177.8	179.3	-171.7	165.2	0	112	K86 R87 T93 F94 E123 N183	K86-K90 WeakPolarHBondContact O-CB 3.33Å; K86-K90 PolarHBondContact O-N 3.37Å; R87-K90 PolarHBondContact O-N 3.35Å; K90-T93 PolarHBondContact O-OG1 3.26Å; K90-F94 WeakPolarHBondContact O-CB 3.33Å; K90-F94 PolarHBondContact O-N 3.12Å; K90-E123 WeakPolarHBondContact CD-OE2 3.49Å; K90-N183 PolarHBondContact NZ-OD1 2.88Å
91	F	87	Confident	89.6	Confident	139 Å²	139	65.6 Å²	65.6	61%	0.61	33%	0.325	S	S	*	.	H	α-helix	trans	-65.3	-43.5	-177.8	-75.8	-64.9	0	0	0	112	R87 E95	R87-F91 HydrophobicContact CB-CD2 4.34Å; R87-F91 HydrophobicContact CB-CE2 4.33Å; R87-F91 WeakPolarHBondContact O-CD2 3.49Å; R87-F91 PolarHBondContact O-N 2.66Å; F91-E95 PolarHBondContact O-N 3.45Å
92	F	91.8	Very high	89.2	Confident	134 Å²	134	63.1 Å²	63.1	59%	0.588	33%	0.325	S	S	*	.	H	α-helix	trans	-59.4	-54.9	177.9	177.1	-98.9	0	0	0	111.3	A88 F94 E95 Q96	A88-F92 WeakPolarHBondContact O-CB 3.41Å; A88-F92 PolarHBondContact O-N 2.99Å; F92-F94 PolarHBondContact O-N 3.45Å; F92-E95 PolarHBondContact O-N 3.46Å; F92-Q96 HydrophobicContact CD1-CG 4.49Å; F92-Q96 HydrophobicContact CE1-CG 4.1Å; F92-Q96 HydrophobicContact CE2-CG 4.45Å; F92-Q96 HydrophobicContact CZ-CG 4.08Å; F92-Q96 WeakPolarHBondContact O-CG 3.22Å; F92-Q96 PolarHBondContact O-N 3.39Å; F92-Q96 VanDerWaalsContact O-N 3.17Å
93	T	92.2	Very high	88.8	Confident	14 Å²	14	71.9 Å²	71.9	9%	0.086	36%	0.358	C	S	.	.	H	α-helix	trans	-66.3	-38.1	-176.6	56.2	0	0	0	0	112.1	V89 K90 E95 Q96 Y97 S119 T122	V89-T93 HydrophobicContact CG1-CG2 4.11Å; V89-T93 VanDerWaalsContact O-CB 3.31Å; V89-T93 WeakPolarHBondContact O-CB 3.4Å; V89-T93 VanDerWaalsContact O-CG2 3.22Å; V89-T93 WeakPolarHBondContact O-CG2 3.43Å; V89-T93 PolarHBondContact O-N 2.96Å; V89-T93 PolarHBondContact O-OG1 3.46Å; K90-T93 PolarHBondContact O-OG1 3.26Å; T93-E95 PolarHBondContact O-N 3.06Å; T93-Q96 PolarHBondContact O-N 3.06Å; T93-Y97 WeakPolarHBondContact O-CB 3.19Å; T93-Y97 WeakPolarHBondContact O-CD2 3.25Å; T93-Y97 PolarHBondContact O-N 2.57Å; T93-S119 WeakPolarHBondContact OG1-CA 3.39Å; T93-S119 VanDerWaalsContact OG1-CB 3.29Å; T93-S119 WeakPolarHBondContact OG1-CB 3.24Å; T93-T122 HydrophobicContact CG2-CG2 3.79Å
94	F	89.6	Confident	88.4	Confident	19 Å²	19	75 Å²	75	8%	0.083	38%	0.378	C	S	.	.	H	α-helix	trans	-59.5	-44.8	177.1	-175.5	-100.3	0	0	0	112.3	K90 F92 Y97 K98 F112 A115 F187	K90-F94 WeakPolarHBondContact O-CB 3.33Å; K90-F94 PolarHBondContact O-N 3.12Å; F92-F94 PolarHBondContact O-N 3.45Å; F94-Y97 PolarHBondContact O-N 3.09Å; F94-K98 HydrophobicContact CD1-CD 3.62Å; F94-K98 HydrophobicContact CD1-CG 4.47Å; F94-K98 HydrophobicContact CE1-CD 3.32Å; F94-K98 HydrophobicContact CE1-CG 4.32Å; F94-K98 HydrophobicContact CG-CD 4.45Å; F94-K98 HydrophobicContact CZ-CD 3.93Å; F94-K98 WeakPolarHBondContact O-CB 3.44Å; F94-K98 WeakPolarHBondContact O-CG 3.38Å; F94-K98 PolarHBondContact O-N 2.61Å; F94-F112 HydrophobicContact CE1-CD1 4.4Å; F94-F112 AromaticContact CZ-CD1 3.81Å; F94-F112 HydrophobicContact CZ-CD1 3.81Å; F94-F112 HydrophobicContact CZ-CE1 4.35Å; F94-A115 HydrophobicContact CD2-CB 4.03Å; F94-A115 HydrophobicContact CE2-CB 4.02Å; F94-F187 HydrophobicContact CD2-CE2 4.14Å; F94-F187 HydrophobicContact CD2-CZ 4.38Å; F94-F187 HydrophobicContact CE2-CD1 4.13Å; F94-F187 AromaticContact CE2-CD2 3.75Å; F94-F187 HydrophobicContact CE2-CD2 3.75Å; F94-F187 HydrophobicContact CE2-CE1 4.07Å; F94-F187 AromaticContact CE2-CE2 3.69Å; F94-F187 HydrophobicContact CE2-CE2 3.69Å; F94-F187 AromaticContact CE2-CG 3.98Å; F94-F187 HydrophobicContact CE2-CG 3.98Å; F94-F187 AromaticContact CE2-CZ 3.85Å; F94-F187 HydrophobicContact CE2-CZ 3.85Å; F94-F187 AromaticContact CZ-CD1 3.92Å; F94-F187 HydrophobicContact CZ-CD1 3.92Å; F94-F187 HydrophobicContact CZ-CD2 4.37Å; F94-F187 AromaticContact CZ-CE1 3.8Å; F94-F187 HydrophobicContact CZ-CE1 3.8Å; F94-F187 HydrophobicContact CZ-CE2 4.27Å; F94-F187 HydrophobicContact CZ-CG 4.21Å; F94-F187 AromaticContact CZ-CZ 3.98Å; F94-F187 HydrophobicContact CZ-CZ 3.98Å
95	E	89	Confident	88	Confident	79 Å²	79	76.4 Å²	76.4	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-67.2	-37.6	176.8	-70.5	-54.3	133.6	0	0	112.4	F91 F92 T93 K98 K99	F91-E95 PolarHBondContact O-N 3.45Å; F92-E95 PolarHBondContact O-N 3.46Å; T93-E95 PolarHBondContact O-N 3.06Å; E95-K98 PolarHBondContact O-N 3.09Å; E95-K98 IonicContact OE1-NZ 2.84Å; E95-K98 PolarHBondContact OE1-NZ 2.91Å; E95-K98 IonicContact OE2-NZ 2.79Å; E95-K98 PolarHBondContact OE2-NZ 3.27Å; E95-K99 WeakPolarHBondContact O-CG 3.26Å; E95-K99 PolarHBondContact O-N 3.09Å; E95-K99 VanDerWaalsContact O-N 3.08Å
96	Q	92	Very high	87.7	Confident	72 Å²	72	76.8 Å²	76.8	34%	0.336	39%	0.391	S	S	.	.	H	α-helix	trans	-66.2	-44.7	174.7	-58.3	-44.4	-36.4	0	0	111.9	F92 T93 K98 K99 L100	F92-Q96 HydrophobicContact CD1-CG 4.49Å; F92-Q96 HydrophobicContact CE1-CG 4.1Å; F92-Q96 HydrophobicContact CE2-CG 4.45Å; F92-Q96 HydrophobicContact CZ-CG 4.08Å; F92-Q96 WeakPolarHBondContact O-CG 3.22Å; F92-Q96 PolarHBondContact O-N 3.39Å; F92-Q96 VanDerWaalsContact O-N 3.17Å; T93-Q96 PolarHBondContact O-N 3.06Å; Q96-K98 VanDerWaalsContact C-N 3.32Å; Q96-K98 PolarHBondContact O-N 2.91Å; Q96-K99 PolarHBondContact O-N 3.49Å; Q96-L100 WeakPolarHBondContact O-CG 3.47Å; Q96-L100 PolarHBondContact O-N 2.74Å
97	Y	92.3	Very high	87.5	Confident	80 Å²	80	77.4 Å²	77.4	31%	0.314	40%	0.402	S	S	.	.	H	α-helix	trans	-63.5	-38.5	177.8	-69.6	-49.6	0	0	0	112	T93 F94 L100 L101 T122	T93-Y97 WeakPolarHBondContact O-CB 3.19Å; T93-Y97 WeakPolarHBondContact O-CD2 3.25Å; T93-Y97 PolarHBondContact O-N 2.57Å; F94-Y97 PolarHBondContact O-N 3.09Å; Y97-L100 HydrophobicContact CD1-CD1 4.42Å; Y97-L100 PolarHBondContact O-N 3.5Å; Y97-L101 WeakPolarHBondContact O-CB 3.23Å; Y97-L101 WeakPolarHBondContact O-CD1 3.44Å; Y97-L101 WeakPolarHBondContact O-CG 3.4Å; Y97-L101 PolarHBondContact O-N 2.88Å; Y97-T122 PolarHBondContact OH-OG1 2.87Å
98	K	88.1	Confident	87.3	Confident	53 Å²	53	78.2 Å²	78.2	23%	0.23	41%	0.414	C	S	.	.	H	α-helix	trans	-59.9	-45.5	172.2	-81.1	170.3	58.9	-149.1	0	112.5	F94 E95 Q96 L101 G102 F112 A115	F94-K98 HydrophobicContact CD1-CD 3.62Å; F94-K98 HydrophobicContact CD1-CG 4.47Å; F94-K98 HydrophobicContact CE1-CD 3.32Å; F94-K98 HydrophobicContact CE1-CG 4.32Å; F94-K98 HydrophobicContact CG-CD 4.45Å; F94-K98 HydrophobicContact CZ-CD 3.93Å; F94-K98 WeakPolarHBondContact O-CB 3.44Å; F94-K98 WeakPolarHBondContact O-CG 3.38Å; F94-K98 PolarHBondContact O-N 2.61Å; E95-K98 PolarHBondContact O-N 3.09Å; E95-K98 IonicContact OE1-NZ 2.84Å; E95-K98 PolarHBondContact OE1-NZ 2.91Å; E95-K98 IonicContact OE2-NZ 2.79Å; E95-K98 PolarHBondContact OE2-NZ 3.27Å; Q96-K98 VanDerWaalsContact C-N 3.32Å; Q96-K98 PolarHBondContact O-N 2.91Å; K98-L101 PolarHBondContact O-N 3.34Å; K98-G102 PolarHBondContact O-N 2.96Å; K98-F112 HydrophobicContact CD-CD1 4.22Å; K98-F112 HydrophobicContact CD-CE1 3.87Å; K98-A115 HydrophobicContact CG-CB 3.78Å
99	K	88.6	Confident	87	Confident	125 Å²	125	76.3 Å²	76.3	54%	0.543	40%	0.398	S	S	.	.	H	α-helix	trans	-61.1	-46.3	177.5	-72.6	174.8	-176.9	-178.2	0	111.3	E95 Q96 L101 G102 Y103	E95-K99 WeakPolarHBondContact O-CG 3.26Å; E95-K99 PolarHBondContact O-N 3.09Å; E95-K99 VanDerWaalsContact O-N 3.08Å; Q96-K99 PolarHBondContact O-N 3.49Å; K99-L101 PolarHBondContact O-N 2.98Å; K99-G102 PolarHBondContact O-N 3.47Å; K99-Y103 VanDerWaalsContact O-CD2 3.24Å; K99-Y103 WeakPolarHBondContact O-CD2 3.21Å; K99-Y103 VanDerWaalsContact O-CE2 3.29Å; K99-Y103 WeakPolarHBondContact O-CE2 3.41Å
100	L	89.3	Confident	86.7	Confident	107 Å²	107	78.4 Å²	78.4	56%	0.56	41%	0.408	S	S	*	.	H	α-helix	trans	-62.1	-43.5	178.5	-70.7	171.7	0	0	0	112.3	Q96 Y97 G102 Y103	Q96-L100 WeakPolarHBondContact O-CG 3.47Å; Q96-L100 PolarHBondContact O-N 2.74Å; Y97-L100 HydrophobicContact CD1-CD1 4.42Å; Y97-L100 PolarHBondContact O-N 3.5Å; L100-G102 VanDerWaalsContact C-N 3.27Å; L100-G102 PolarHBondContact O-N 2.95Å; L100-Y103 WeakPolarHBondContact O-CD2 3.47Å; L100-Y103 PolarHBondContact O-N 3.25Å
101	L	87.9	Confident	86.7	Confident	28 Å²	28	77.3 Å²	77.3	15%	0.147	41%	0.405	C	S	.	.	H	α-helix	trans	-73.2	-20.5	178.3	-67.5	168	0	0	0	112.9	Y97 K98 K99 Y103 V104 L106 T111 I114 A115	Y97-L101 WeakPolarHBondContact O-CB 3.23Å; Y97-L101 WeakPolarHBondContact O-CD1 3.44Å; Y97-L101 WeakPolarHBondContact O-CG 3.4Å; Y97-L101 PolarHBondContact O-N 2.88Å; K98-L101 PolarHBondContact O-N 3.34Å; K99-L101 PolarHBondContact O-N 2.98Å; L101-Y103 PolarHBondContact O-N 2.79Å; L101-V104 PolarHBondContact O-N 2.79Å; L101-L106 HydrophobicContact CD2-CD1 4.11Å; L101-T111 HydrophobicContact CB-CG2 3.87Å; L101-T111 HydrophobicContact CD1-CG2 4.41Å; L101-I114 HydrophobicContact CD1-CB 3.78Å; L101-I114 HydrophobicContact CD1-CG2 3.7Å; L101-I114 HydrophobicContact CD2-CG2 4.05Å; L101-A115 HydrophobicContact CD1-CB 4.14Å
102	G	83.1	Confident	86.7	Confident	55 Å²	55	73.5 Å²	73.5	57%	0.567	39%	0.388	S	S	*	.	H	α-helix	trans	-59.3	-25.1	171.6	0	0	0	0	0	113.4	K98 K99 L100 V104	K98-G102 PolarHBondContact O-N 2.96Å; K99-G102 PolarHBondContact O-N 3.47Å; L100-G102 VanDerWaalsContact C-N 3.27Å; L100-G102 PolarHBondContact O-N 2.95Å; G102-V104 VanDerWaalsContact C-N 3.32Å
103	Y	81.6	Confident	86.6	Confident	192 Å²	192	67.7 Å²	67.7	75%	0.753	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-11.8	175.1	-59.9	-72.5	0	0	0	113.9	K99 L100 L101	K99-Y103 VanDerWaalsContact O-CD2 3.24Å; K99-Y103 WeakPolarHBondContact O-CD2 3.21Å; K99-Y103 VanDerWaalsContact O-CE2 3.29Å; K99-Y103 WeakPolarHBondContact O-CE2 3.41Å; L100-Y103 WeakPolarHBondContact O-CD2 3.47Å; L100-Y103 PolarHBondContact O-N 3.25Å; L101-Y103 PolarHBondContact O-N 2.79Å
104	V	81	Confident	86.6	Confident	88 Å²	88	70.1 Å²	70.1	53%	0.533	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	1.1	-171	-170.6	0	0	0	0	112.3	L101 G102 L106	L101-V104 PolarHBondContact O-N 2.79Å; G102-V104 VanDerWaalsContact C-N 3.32Å; V104-L106 HydrophobicContact CB-CD1 4.46Å; V104-L106 HydrophobicContact CB-CG 4.26Å; V104-L106 HydrophobicContact CG1-CD1 4.23Å; V104-L106 HydrophobicContact CG1-CD2 4.31Å; V104-L106 HydrophobicContact CG1-CG 3.99Å; V104-L106 PolarHBondContact O-N 2.67Å; V104-L106 VanDerWaalsContact O-N 3.15Å
105	S	77.9	Confident	86.7	Confident	117 Å²	117	69.2 Å²	69.2	82%	0.818	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	38.3	177.3	-60.6	0	0	0	0	114.6
106	L	82.5	Confident	86.8	Confident	61 Å²	61	65.4 Å²	65.4	32%	0.319	36%	0.355	S	S	.	.			trans	-78	160.6	175.6	-63.8	172	0	0	0	111.6	L101 V104 L110 I114	L101-L106 HydrophobicContact CD2-CD1 4.11Å; V104-L106 HydrophobicContact CB-CD1 4.46Å; V104-L106 HydrophobicContact CB-CG 4.26Å; V104-L106 HydrophobicContact CG1-CD1 4.23Å; V104-L106 HydrophobicContact CG1-CD2 4.31Å; V104-L106 HydrophobicContact CG1-CG 3.99Å; V104-L106 PolarHBondContact O-N 2.67Å; V104-L106 VanDerWaalsContact O-N 3.15Å; L106-L110 HydrophobicContact CD2-CD2 4.11Å; L106-I114 HydrophobicContact CD1-CD1 3.95Å
107	S	85.1	Confident	86.9	Confident	70 Å²	70	64.6 Å²	64.6	49%	0.49	35%	0.353	S	S	.	.			trans	-58.7	142.6	172.1	74.4	0	0	0	0	110.3	A109 L110 T111	S107-A109 VanDerWaalsContact C-N 3.26Å; S107-A109 PolarHBondContact O-N 3.26Å; S107-L110 PolarHBondContact O-N 2.91Å; S107-L110 WeakPolarHBondContact OG-CB 3.5Å; S107-T111 PolarHBondContact O-N 3.25Å; S107-T111 PolarHBondContact O-OG1 3Å
108	P	83.2	Confident	87	Confident	71 Å²	71	61.5 Å²	61.5	46%	0.461	35%	0.346	S	S	.	.	H	α-helix	trans	-54.9	-40.7	-176	-30.9	36.9	0	0	0	113.7	L110 T111 F112 Y191	P108-L110 VanDerWaalsContact C-N 3.33Å; P108-L110 PolarHBondContact O-N 3Å; P108-T111 WeakPolarHBondContact O-CB 3.49Å; P108-T111 PolarHBondContact O-N 2.71Å; P108-F112 WeakPolarHBondContact O-CD2 3.49Å; P108-F112 PolarHBondContact O-N 3.28Å; P108-Y191 HydrophobicContact CB-CE1 3.67Å; P108-Y191 HydrophobicContact CB-CE2 4.17Å; P108-Y191 WeakPolarHBondContact CB-OH 3.28Å
109	A	83.1	Confident	87.2	Confident	19 Å²	19	59 Å²	59	16%	0.157	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-42.3	177.7	0	0	0	0	0	112.3	S107 F112 A113 Y191	S107-A109 VanDerWaalsContact C-N 3.26Å; S107-A109 PolarHBondContact O-N 3.26Å; A109-F112 PolarHBondContact O-N 2.79Å; A109-A113 WeakPolarHBondContact O-CB 3.29Å; A109-A113 PolarHBondContact O-N 3.33Å; A109-Y191 HydrophobicContact CB-CD1 3.74Å; A109-Y191 HydrophobicContact CB-CE1 4.26Å
110	L	86.3	Confident	87.4	Confident	80 Å²	80	53 Å²	53	42%	0.419	31%	0.309	S	S	.	.	H	α-helix	trans	-71.2	-38.8	179.3	-172.3	61.2	0	0	0	111.3	L106 S107 P108 F112 A113 I114	L106-L110 HydrophobicContact CD2-CD2 4.11Å; S107-L110 PolarHBondContact O-N 2.91Å; S107-L110 WeakPolarHBondContact OG-CB 3.5Å; P108-L110 VanDerWaalsContact C-N 3.33Å; P108-L110 PolarHBondContact O-N 3Å; L110-F112 PolarHBondContact O-N 3.01Å; L110-A113 PolarHBondContact O-N 3.35Å; L110-I114 HydrophobicContact CD1-CD1 3.93Å; L110-I114 HydrophobicContact CD1-CG1 4.09Å; L110-I114 HydrophobicContact CD2-CD1 4.38Å; L110-I114 HydrophobicContact CG-CD1 3.73Å; L110-I114 HydrophobicContact CG-CG1 4.28Å; L110-I114 WeakPolarHBondContact O-CB 3.26Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.47Å; L110-I114 PolarHBondContact O-N 3.27Å
111	T	88.4	Confident	87.7	Confident	20 Å²	20	51 Å²	51	12%	0.123	30%	0.298	C	S	.	.	H	α-helix	trans	-56.8	-48.4	173	-63	0	0	0	0	111.5	L101 S107 P108 A115	L101-T111 HydrophobicContact CB-CG2 3.87Å; L101-T111 HydrophobicContact CD1-CG2 4.41Å; S107-T111 PolarHBondContact O-N 3.25Å; S107-T111 PolarHBondContact O-OG1 3Å; P108-T111 WeakPolarHBondContact O-CB 3.49Å; P108-T111 PolarHBondContact O-N 2.71Å; T111-A115 VanDerWaalsContact O-CB 3.23Å; T111-A115 WeakPolarHBondContact O-CB 3.19Å; T111-A115 PolarHBondContact O-N 2.96Å
112	F	87.9	Confident	88	Confident	59 Å²	59	51.7 Å²	51.7	26%	0.259	30%	0.304	S	S	.	.	H	α-helix	trans	-67	-37.4	177.6	-77.6	-69.3	0	0	0	112.7	F94 K98 P108 A109 L110 G116 F187 Y191	F94-F112 HydrophobicContact CE1-CD1 4.4Å; F94-F112 AromaticContact CZ-CD1 3.81Å; F94-F112 HydrophobicContact CZ-CD1 3.81Å; F94-F112 HydrophobicContact CZ-CE1 4.35Å; K98-F112 HydrophobicContact CD-CD1 4.22Å; K98-F112 HydrophobicContact CD-CE1 3.87Å; P108-F112 WeakPolarHBondContact O-CD2 3.49Å; P108-F112 PolarHBondContact O-N 3.28Å; A109-F112 PolarHBondContact O-N 2.79Å; L110-F112 PolarHBondContact O-N 3.01Å; F112-G116 PolarHBondContact O-N 2.8Å; F112-F187 HydrophobicContact CB-CB 4.43Å; F112-Y191 AromaticContact CD2-CD2 3.43Å; F112-Y191 HydrophobicContact CD2-CD2 3.43Å; F112-Y191 VanDerWaalsContact CD2-CD2 3.43Å; F112-Y191 AromaticContact CD2-CE2 3.74Å; F112-Y191 HydrophobicContact CD2-CE2 3.74Å; F112-Y191 HydrophobicContact CD2-CG 4.03Å; F112-Y191 AromaticContact CE2-CD2 3.59Å; F112-Y191 HydrophobicContact CE2-CD2 3.59Å; F112-Y191 AromaticContact CE2-CE2 3.51Å; F112-Y191 HydrophobicContact CE2-CE2 3.51Å; F112-Y191 HydrophobicContact CG-CD2 4.35Å
113	A	90	Very high	88.5	Confident	13 Å²	13	49.3 Å²	49.3	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-66.7	-45.4	177.3	0	0	0	0	0	112.2	A109 L110 G116 L117 M184	A109-A113 WeakPolarHBondContact O-CB 3.29Å; A109-A113 PolarHBondContact O-N 3.33Å; L110-A113 PolarHBondContact O-N 3.35Å; A113-G116 PolarHBondContact O-N 2.66Å; A113-L117 PolarHBondContact O-N 2.92Å; A113-M184 HydrophobicContact CB-CG 4.13Å
114	I	91.8	Very high	89.1	Confident	64 Å²	64	40.1 Å²	40.1	33%	0.328	24%	0.242	S	C	.	.	H	α-helix	trans	-70.1	-40.7	178.9	-63	171.4	0	0	0	110.7	L101 L106 L110 G116 L117 G118	L101-I114 HydrophobicContact CD1-CB 3.78Å; L101-I114 HydrophobicContact CD1-CG2 3.7Å; L101-I114 HydrophobicContact CD2-CG2 4.05Å; L106-I114 HydrophobicContact CD1-CD1 3.95Å; L110-I114 HydrophobicContact CD1-CD1 3.93Å; L110-I114 HydrophobicContact CD1-CG1 4.09Å; L110-I114 HydrophobicContact CD2-CD1 4.38Å; L110-I114 HydrophobicContact CG-CD1 3.73Å; L110-I114 HydrophobicContact CG-CG1 4.28Å; L110-I114 WeakPolarHBondContact O-CB 3.26Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.47Å; L110-I114 PolarHBondContact O-N 3.27Å; I114-G116 VanDerWaalsContact C-N 3.28Å; I114-G116 PolarHBondContact O-N 3.26Å; I114-L117 WeakPolarHBondContact O-CB 3.44Å; I114-L117 PolarHBondContact O-N 3.3Å; I114-G118 PolarHBondContact O-N 3.46Å
115	A	91.5	Very high	89.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-38.6	172.5	0	0	0	0	0	111.6	F94 K98 L101 T111 S119	F94-A115 HydrophobicContact CD2-CB 4.03Å; F94-A115 HydrophobicContact CE2-CB 4.02Å; K98-A115 HydrophobicContact CG-CB 3.78Å; L101-A115 HydrophobicContact CD1-CB 4.14Å; T111-A115 VanDerWaalsContact O-CB 3.23Å; T111-A115 WeakPolarHBondContact O-CB 3.19Å; T111-A115 PolarHBondContact O-N 2.96Å; A115-S119 WeakPolarHBondContact O-CB 3.26Å; A115-S119 PolarHBondContact O-N 2.86Å; A115-S119 PolarHBondContact O-OG 2.65Å
116	G	91.6	Very high	90.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-46.1	171.7	0	0	0	0	0	112.6	F112 A113 I114 S119 G120 N183	F112-G116 PolarHBondContact O-N 2.8Å; A113-G116 PolarHBondContact O-N 2.66Å; I114-G116 VanDerWaalsContact C-N 3.28Å; I114-G116 PolarHBondContact O-N 3.26Å; G116-S119 PolarHBondContact O-OG 3.37Å; G116-G120 PolarHBondContact O-N 2.88Å; G116-N183 WeakPolarHBondContact O-CB 3.35Å
117	L	94.3	Very high	90.8	Very high	55 Å²	55	34 Å²	34	29%	0.288	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-54.3	175.8	-179.6	62.6	0	0	0	111	A113 I114 S119 G120 L121 M184	A113-L117 PolarHBondContact O-N 2.92Å; I114-L117 WeakPolarHBondContact O-CB 3.44Å; I114-L117 PolarHBondContact O-N 3.3Å; L117-S119 PolarHBondContact O-N 3.36Å; L117-G120 PolarHBondContact O-N 3Å; L117-L121 HydrophobicContact CD1-CD1 4.23Å; L117-L121 HydrophobicContact CD1-CG 4.29Å; L117-L121 HydrophobicContact CG-CD1 4.12Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 2.99Å; L117-L121 PolarHBondContact O-N 3.32Å; L117-M184 HydrophobicContact CB-CB 4.1Å; L117-M184 HydrophobicContact CB-CG 4.39Å; L117-M184 HydrophobicContact CD1-CB 4.44Å; L117-M184 HydrophobicContact CD2-SD 4.32Å
118	G	93.7	Very high	91.2	Very high	15 Å²	15	30.7 Å²	30.7	16%	0.155	18%	0.178	C	C	.	.	H	α-helix	trans	-56.9	-50.6	-179.2	0	0	0	0	0	112.1	I114 G120 L121 T122	I114-G118 PolarHBondContact O-N 3.46Å; G118-G120 VanDerWaalsContact C-N 3.34Å; G118-G120 PolarHBondContact O-N 2.79Å; G118-L121 PolarHBondContact O-N 3.23Å; G118-T122 PolarHBondContact O-N 3.14Å; G118-T122 PolarHBondContact O-OG1 2.87Å; G118-T122 VanDerWaalsContact O-OG1 3.1Å
119	S	93.3	Very high	91.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.6	-39.9	178.1	58.3	0	0	0	0	112.6	T93 A115 G116 L117 T122 E123	T93-S119 WeakPolarHBondContact OG1-CA 3.39Å; T93-S119 VanDerWaalsContact OG1-CB 3.29Å; T93-S119 WeakPolarHBondContact OG1-CB 3.24Å; A115-S119 WeakPolarHBondContact O-CB 3.26Å; A115-S119 PolarHBondContact O-N 2.86Å; A115-S119 PolarHBondContact O-OG 2.65Å; G116-S119 PolarHBondContact O-OG 3.37Å; L117-S119 PolarHBondContact O-N 3.36Å; S119-T122 PolarHBondContact O-N 2.89Å; S119-E123 VanDerWaalsContact O-CB 3.22Å; S119-E123 WeakPolarHBondContact O-CB 3.37Å; S119-E123 PolarHBondContact O-N 3.04Å
120	G	92.9	Very high	92.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-37.3	174.9	0	0	0	0	0	113.6	G116 L117 G118 A124 H179 N183	G116-G120 PolarHBondContact O-N 2.88Å; L117-G120 PolarHBondContact O-N 3Å; G118-G120 VanDerWaalsContact C-N 3.34Å; G118-G120 PolarHBondContact O-N 2.79Å; G120-A124 WeakPolarHBondContact O-CB 3.38Å; G120-A124 PolarHBondContact O-N 3.22Å; G120-H179 WeakPolarHBondContact O-CB 3.37Å; G120-N183 WeakPolarHBondContact CA-ND2 3.16Å
121	L	95.1	Very high	92.5	Very high	64 Å²	64	28.3 Å²	28.3	34%	0.335	16%	0.157	S	C	.	.	H	α-helix	trans	-68.3	-41.8	176	-66.1	174.3	0	0	0	111.5	L117 G118 A124 V125 L176	L117-L121 HydrophobicContact CD1-CD1 4.23Å; L117-L121 HydrophobicContact CD1-CG 4.29Å; L117-L121 HydrophobicContact CG-CD1 4.12Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 2.99Å; L117-L121 PolarHBondContact O-N 3.32Å; G118-L121 PolarHBondContact O-N 3.23Å; L121-A124 WeakPolarHBondContact O-CB 3.49Å; L121-A124 PolarHBondContact O-N 2.67Å; L121-V125 PolarHBondContact O-N 2.93Å; L121-L176 HydrophobicContact CB-CD2 4.09Å; L121-L176 HydrophobicContact CD2-CB 3.86Å; L121-L176 HydrophobicContact CD2-CD2 3.71Å; L121-L176 HydrophobicContact CD2-CG 4.38Å; L121-L176 WeakPolarHBondContact O-CD2 3.1Å
122	T	94.1	Very high	92.7	Very high	43 Å²	43	27.3 Å²	27.3	26%	0.264	15%	0.151	S	C	.	.	H	α-helix	trans	-67.2	-41.8	176.1	-44.4	0	0	0	0	111.7	V89 T93 Y97 G118 S119 A124 V125	V89-T122 HydrophobicContact CG1-CG2 3.93Å; T93-T122 HydrophobicContact CG2-CG2 3.79Å; Y97-T122 PolarHBondContact OH-OG1 2.87Å; G118-T122 PolarHBondContact O-N 3.14Å; G118-T122 PolarHBondContact O-OG1 2.87Å; G118-T122 VanDerWaalsContact O-OG1 3.1Å; S119-T122 PolarHBondContact O-N 2.89Å; T122-A124 VanDerWaalsContact C-N 3.31Å; T122-A124 PolarHBondContact O-N 3.42Å; T122-V125 PolarHBondContact O-N 3.09Å
123	E	93.6	Very high	92.9	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.019	14%	0.141	C	C	.	.	H	α-helix	trans	-55.4	-47.2	173.9	-179.5	-174.4	168.2	0	0	110.9	K86 K90 S119 V125 V126 V127 H179 N183	K86-E123 WeakPolarHBondContact CD-OE1 3.31Å; K86-E123 WeakPolarHBondContact CE-OE1 3.26Å; K86-E123 HydrophobicContact CG-CG 3.72Å; K86-E123 WeakPolarHBondContact CG-OE1 3.34Å; K90-E123 WeakPolarHBondContact CD-OE2 3.49Å; S119-E123 VanDerWaalsContact O-CB 3.22Å; S119-E123 WeakPolarHBondContact O-CB 3.37Å; S119-E123 PolarHBondContact O-N 3.04Å; E123-V125 VanDerWaalsContact C-N 3.28Å; E123-V125 PolarHBondContact O-N 3.34Å; E123-V126 PolarHBondContact O-N 3.37Å; E123-V126 VanDerWaalsContact O-N 3.09Å; E123-V127 HydrophobicContact CG-CG1 4.26Å; E123-V127 WeakPolarHBondContact O-CG2 3.35Å; E123-V127 PolarHBondContact O-N 3.35Å; E123-H179 IonicContact OE1-CE1 3.38Å; E123-H179 IonicContact OE1-ND1 2.8Å; E123-H179 PolarHBondContact OE1-ND1 3.31Å; E123-N183 PolarHBondContact OE2-ND2 3.23Å
124	A	93.1	Very high	93.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-54.5	-41.7	-179.1	0	0	0	0	0	113	G120 L121 T122 V126 V127 N128 T175 L176 H179	G120-A124 WeakPolarHBondContact O-CB 3.38Å; G120-A124 PolarHBondContact O-N 3.22Å; L121-A124 WeakPolarHBondContact O-CB 3.49Å; L121-A124 PolarHBondContact O-N 2.67Å; T122-A124 VanDerWaalsContact C-N 3.31Å; T122-A124 PolarHBondContact O-N 3.42Å; A124-V126 VanDerWaalsContact C-N 3.31Å; A124-V126 PolarHBondContact O-N 2.97Å; A124-V127 PolarHBondContact O-N 2.67Å; A124-N128 WeakPolarHBondContact O-CB 3.38Å; A124-N128 PolarHBondContact O-N 2.97Å; A124-T175 HydrophobicContact CB-CG2 3.96Å; A124-L176 HydrophobicContact CB-CD2 3.77Å; A124-L176 HydrophobicContact CB-CG 4.21Å; A124-H179 HydrophobicContact CB-CB 4.12Å
125	V	93.3	Very high	93.1	Very high	82 Å²	82	22.5 Å²	22.5	50%	0.497	13%	0.126	S	C	.	.	H	α-helix	trans	-62.9	-40	-179.4	177.3	0	0	0	0	111.2	L121 T122 E123 L172 L176	L121-V125 PolarHBondContact O-N 2.93Å; T122-V125 PolarHBondContact O-N 3.09Å; E123-V125 VanDerWaalsContact C-N 3.28Å; E123-V125 PolarHBondContact O-N 3.34Å; V125-L172 HydrophobicContact CG2-CD1 4.48Å; V125-L176 HydrophobicContact CG2-CD2 4.32Å
126	V	92.2	Very high	93.1	Very high	52 Å²	52	22.7 Å²	22.7	32%	0.315	13%	0.128	S	C	.	.	H	α-helix	trans	-73.9	-39.4	-178.1	177.9	0	0	0	0	111.4	P85 V89 E123 A124	P85-V126 HydrophobicContact CB-CG1 4.42Å; V89-V126 HydrophobicContact CG1-CG2 4.35Å; V89-V126 HydrophobicContact CG2-CG2 4.16Å; E123-V126 PolarHBondContact O-N 3.37Å; E123-V126 VanDerWaalsContact O-N 3.09Å; A124-V126 VanDerWaalsContact C-N 3.31Å; A124-V126 PolarHBondContact O-N 2.97Å
127	V	92.7	Very high	93.1	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-86.5	-21.5	-174.4	-57	0	0	0	0	114.1	K86 E123 A124 F130 E131 T175	K86-V127 HydrophobicContact CB-CG1 3.64Å; K86-V127 HydrophobicContact CD-CG1 4.04Å; K86-V127 HydrophobicContact CG-CG1 3.69Å; E123-V127 HydrophobicContact CG-CG1 4.26Å; E123-V127 WeakPolarHBondContact O-CG2 3.35Å; E123-V127 PolarHBondContact O-N 3.35Å; A124-V127 PolarHBondContact O-N 2.67Å; V127-F130 WeakPolarHBondContact O-CB 3.38Å; V127-F130 PolarHBondContact O-N 2.68Å; V127-E131 HydrophobicContact CG2-CG 4.38Å; V127-E131 PolarHBondContact O-N 3.16Å; V127-T175 HydrophobicContact CG2-CG2 4.34Å
128	N	93.8	Very high	92.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-49.6	-48.7	-176	-170	61.5	0	0	0	114.7	A124 F130 E131 V132 N169 L172 T175 Q236	A124-N128 WeakPolarHBondContact O-CB 3.38Å; A124-N128 PolarHBondContact O-N 2.97Å; N128-F130 VanDerWaalsContact C-N 3.3Å; N128-F130 PolarHBondContact O-N 3.43Å; N128-E131 PolarHBondContact O-N 3.19Å; N128-E131 VanDerWaalsContact O-N 3.15Å; N128-V132 WeakPolarHBondContact O-CG2 3.36Å; N128-V132 PolarHBondContact O-N 3.33Å; N128-N169 VanDerWaalsContact ND2-C 3.3Å; N128-N169 WeakPolarHBondContact ND2-CA 3.36Å; N128-N169 PolarHBondContact ND2-O 3.45Å; N128-N169 VanDerWaalsContact ND2-O 3.15Å; N128-N169 PolarHBondContact ND2-OD1 3.05Å; N128-L172 HydrophobicContact CB-CD1 3.87Å; N128-T175 HydrophobicContact CB-CG2 4.25Å; N128-T175 WeakPolarHBondContact OD1-CB 3.44Å; N128-T175 PolarHBondContact OD1-OG1 2.99Å; N128-Q236 PolarHBondContact OD1-NE2 3.12Å
129	P	92.7	Very high	92.6	Very high	30 Å²	30	20.4 Å²	20.4	20%	0.195	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-36.8	178.6	23.2	-35.1	0	0	0	113.3	V133 L168	P129-V133 WeakPolarHBondContact O-CG2 3.38Å; P129-V133 PolarHBondContact O-N 3Å; P129-L168 WeakPolarHBondContact CA-O 2.95Å; P129-L168 HydrophobicContact CB-CD1 4.35Å; P129-L168 HydrophobicContact CB-CD2 3.77Å; P129-L168 HydrophobicContact CB-CG 3.69Å
130	F	93.6	Very high	92.2	Very high	67 Å²	67	22.2 Å²	22.2	29%	0.294	13%	0.125	S	C	.	.	H	α-helix	trans	-69.5	-39.4	176	-61.2	-90.7	0	0	0	111.4	P78 L81 A82 V127 N128 V133 K134	P78-F130 HydrophobicContact CB-CB 4.09Å; P78-F130 HydrophobicContact CB-CD1 4.47Å; P78-F130 VanDerWaalsContact CB-O 3.27Å; P78-F130 WeakPolarHBondContact CB-O 3.02Å; L81-F130 HydrophobicContact CB-CD1 4.25Å; L81-F130 HydrophobicContact CB-CE1 3.95Å; A82-F130 HydrophobicContact CB-CB 3.85Å; A82-F130 HydrophobicContact CB-CD1 4.13Å; A82-F130 HydrophobicContact CB-CD2 4.13Å; A82-F130 HydrophobicContact CB-CG 3.79Å; V127-F130 WeakPolarHBondContact O-CB 3.38Å; V127-F130 PolarHBondContact O-N 2.68Å; N128-F130 VanDerWaalsContact C-N 3.3Å; N128-F130 PolarHBondContact O-N 3.43Å; F130-V133 PolarHBondContact O-N 3.09Å; F130-K134 WeakPolarHBondContact O-CB 3.2Å; F130-K134 PolarHBondContact O-N 2.76Å
131	E	92.1	Very high	91.6	Very high	23 Å²	23	25.4 Å²	25.4	11%	0.107	14%	0.137	C	C	.	.	H	α-helix	trans	-64.6	-40.3	177.8	-74.8	-161.1	-176.6	0	0	112.4	V127 N128 K134 V135 H179 K232 Q236	V127-E131 HydrophobicContact CG2-CG 4.38Å; V127-E131 PolarHBondContact O-N 3.16Å; N128-E131 PolarHBondContact O-N 3.19Å; N128-E131 VanDerWaalsContact O-N 3.15Å; E131-K134 WeakPolarHBondContact O-CB 3.36Å; E131-K134 PolarHBondContact O-N 2.88Å; E131-V135 WeakPolarHBondContact O-CB 3.03Å; E131-V135 VanDerWaalsContact O-CG2 3.31Å; E131-V135 WeakPolarHBondContact O-CG2 3.47Å; E131-V135 PolarHBondContact O-N 2.96Å; E131-H179 IonicContact OE1-CD2 3.01Å; E131-H179 IonicContact OE1-CE1 3.34Å; E131-H179 IonicContact OE1-NE2 2.73Å; E131-H179 PolarHBondContact OE1-NE2 3.41Å; E131-K232 WeakPolarHBondContact OE2-CE 3.22Å; E131-K232 IonicContact OE2-NZ 2.63Å; E131-K232 PolarHBondContact OE2-NZ 2.86Å; E131-Q236 PolarHBondContact O-OE1 3.15Å
132	V	92.9	Very high	90.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-47.8	176.6	169.2	0	0	0	0	110.9	N128 V135 G136 I157 L168 K170 Q236	N128-V132 WeakPolarHBondContact O-CG2 3.36Å; N128-V132 PolarHBondContact O-N 3.33Å; V132-V135 PolarHBondContact O-N 3.32Å; V132-G136 PolarHBondContact O-N 3.49Å; V132-I157 HydrophobicContact CG1-CD1 4Å; V132-L168 WeakPolarHBondContact CG2-O 3.29Å; V132-K170 HydrophobicContact CG1-CD 4.28Å; V132-K170 HydrophobicContact CG1-CG 3.93Å; V132-K170 HydrophobicContact CG2-CG 3.84Å; V132-K170 VanDerWaalsContact CG2-O 3.24Å; V132-K170 WeakPolarHBondContact CG2-O 3.44Å; V132-Q236 HydrophobicContact CG2-CG 3.9Å
133	V	93.4	Very high	90.1	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-44	178.7	175.6	0	0	0	0	110.6	P78 P129 F130 L137 T150 Y153 A154 L168	P78-V133 HydrophobicContact CG-CB 4.27Å; P78-V133 HydrophobicContact CG-CG1 3.85Å; P129-V133 WeakPolarHBondContact O-CG2 3.38Å; P129-V133 PolarHBondContact O-N 3Å; F130-V133 PolarHBondContact O-N 3.09Å; V133-L137 HydrophobicContact CG1-CD1 3.76Å; V133-L137 HydrophobicContact CG1-CG 4.38Å; V133-L137 WeakPolarHBondContact O-CB 3.22Å; V133-L137 WeakPolarHBondContact O-CG 3.21Å; V133-L137 PolarHBondContact O-N 3.1Å; V133-T150 HydrophobicContact CG1-CG2 3.71Å; V133-Y153 HydrophobicContact CG1-CD1 4.18Å; V133-A154 HydrophobicContact CG2-CB 3.85Å; V133-L168 HydrophobicContact CG2-CD1 3.81Å
134	K	94.1	Very high	89.1	Confident	27 Å²	27	31.9 Å²	31.9	12%	0.117	17%	0.169	C	C	.	.	H	α-helix	trans	-55.2	-55.1	175.2	-178.8	-162.8	-177.5	165.3	0	111.2	D35 P78 P79 F130 E131 G136 L137 Q138	D35-K134 IonicContact OD2-NZ 3.17Å; D35-K134 PolarHBondContact OD2-NZ 2.9Å; P78-K134 HydrophobicContact CB-CB 4.17Å; P78-K134 HydrophobicContact CG-CB 4.25Å; P79-K134 HydrophobicContact CG-CD 3.75Å; P79-K134 HydrophobicContact CG-CG 4.04Å; F130-K134 WeakPolarHBondContact O-CB 3.2Å; F130-K134 PolarHBondContact O-N 2.76Å; E131-K134 WeakPolarHBondContact O-CB 3.36Å; E131-K134 PolarHBondContact O-N 2.88Å; K134-G136 VanDerWaalsContact C-N 3.35Å; K134-G136 PolarHBondContact O-N 3.35Å; K134-L137 PolarHBondContact O-N 3.11Å; K134-Q138 VanDerWaalsContact CE-NE2 3.32Å; K134-Q138 VanDerWaalsContact CE-OE1 3.27Å; K134-Q138 HydrophobicContact CG-CG 4.35Å; K134-Q138 WeakPolarHBondContact O-CB 3.47Å; K134-Q138 VanDerWaalsContact O-CG 3.31Å; K134-Q138 WeakPolarHBondContact O-CG 3.46Å; K134-Q138 PolarHBondContact O-N 2.7Å
135	V	92.1	Very high	88.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-43.2	-174.3	171.6	0	0	0	0	110.8	T39 I43 E131 V132 L137 Q138 A139 Q236	T39-V135 HydrophobicContact CG2-CB 4.45Å; T39-V135 HydrophobicContact CG2-CG1 4.06Å; T39-V135 HydrophobicContact CG2-CG2 4.33Å; I43-V135 HydrophobicContact CD1-CG1 3.97Å; E131-V135 WeakPolarHBondContact O-CB 3.03Å; E131-V135 VanDerWaalsContact O-CG2 3.31Å; E131-V135 WeakPolarHBondContact O-CG2 3.47Å; E131-V135 PolarHBondContact O-N 2.96Å; V132-V135 PolarHBondContact O-N 3.32Å; V135-L137 PolarHBondContact O-N 2.98Å; V135-Q138 PolarHBondContact O-N 3.41Å; V135-A139 VanDerWaalsContact O-CB 3.3Å; V135-A139 WeakPolarHBondContact O-CB 3.26Å; V135-A139 PolarHBondContact O-N 2.82Å; V135-Q236 HydrophobicContact CB-CB 4.07Å; V135-Q236 HydrophobicContact CG1-CB 3.9Å; V135-Q236 HydrophobicContact CG2-CB 4.47Å
136	G	90.7	Very high	87.4	Confident	5 Å²	5	38.5 Å²	38.5	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-42.2	176.8	0	0	0	0	0	113.3	V132 K134 A139 N140 Y153	V132-G136 PolarHBondContact O-N 3.49Å; K134-G136 VanDerWaalsContact C-N 3.35Å; K134-G136 PolarHBondContact O-N 3.35Å; G136-A139 PolarHBondContact O-N 3.41Å; G136-N140 PolarHBondContact O-N 2.93Å; G136-Y153 WeakPolarHBondContact CA-OH 3.46Å
137	L	91	Very high	86.8	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-37.7	176	-71.4	173.2	0	0	0	112.5	P78 V133 K134 V135 N140 Q147 P148 T150 Y153	P78-L137 HydrophobicContact CG-CD1 4.47Å; V133-L137 HydrophobicContact CG1-CD1 3.76Å; V133-L137 HydrophobicContact CG1-CG 4.38Å; V133-L137 WeakPolarHBondContact O-CB 3.22Å; V133-L137 WeakPolarHBondContact O-CG 3.21Å; V133-L137 PolarHBondContact O-N 3.1Å; K134-L137 PolarHBondContact O-N 3.11Å; V135-L137 PolarHBondContact O-N 2.98Å; L137-N140 PolarHBondContact O-N 2.92Å; L137-Q147 VanDerWaalsContact CA-NE2 3.3Å; L137-Q147 HydrophobicContact CD2-CG 4Å; L137-Q147 PolarHBondContact O-NE2 3.39Å; L137-P148 WeakPolarHBondContact CD2-O 3.36Å; L137-T150 HydrophobicContact CD1-CG2 4.33Å; L137-Y153 HydrophobicContact CD2-CD1 4.23Å; L137-Y153 HydrophobicContact CD2-CD2 4.46Å; L137-Y153 HydrophobicContact CD2-CG 3.95Å; L137-Y153 HydrophobicContact CG-CD1 4.11Å; L137-Y153 HydrophobicContact CG-CG 4.34Å
138	Q	90.2	Very high	86.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-74.4	-27.8	178	-72	-176.2	-34.9	0	0	113	H32 V36 T39 R40 K74 K134 V135 N140	H32-Q138 PolarHBondContact CE1-NE2 2.84Å; V36-Q138 HydrophobicContact CG2-CG 4.11Å; T39-Q138 HydrophobicContact CG2-CB 3.93Å; T39-Q138 PolarHBondContact OG1-OE1 3.48Å; R40-Q138 PolarHBondContact NE-O 2.95Å; K74-Q138 VanDerWaalsContact O-CG 3.25Å; K74-Q138 WeakPolarHBondContact O-CG 3.31Å; K134-Q138 VanDerWaalsContact CE-NE2 3.32Å; K134-Q138 VanDerWaalsContact CE-OE1 3.27Å; K134-Q138 HydrophobicContact CG-CG 4.35Å; K134-Q138 WeakPolarHBondContact O-CB 3.47Å; K134-Q138 VanDerWaalsContact O-CG 3.31Å; K134-Q138 WeakPolarHBondContact O-CG 3.46Å; K134-Q138 PolarHBondContact O-N 2.7Å; V135-Q138 PolarHBondContact O-N 3.41Å; Q138-N140 VanDerWaalsContact C-N 3.28Å
139	A	87.4	Confident	86.1	Confident	18 Å²	18	43.1 Å²	43.1	15%	0.149	24%	0.241	C	C	.	.	H	α-helix	trans	-70.5	-24.7	175.1	0	0	0	0	0	112.9	I43 V135 G136 R141 P238	I43-A139 HydrophobicContact CD1-CB 3.56Å; V135-A139 VanDerWaalsContact O-CB 3.3Å; V135-A139 WeakPolarHBondContact O-CB 3.26Å; V135-A139 PolarHBondContact O-N 2.82Å; G136-A139 PolarHBondContact O-N 3.41Å; A139-R141 PolarHBondContact O-N 2.89Å; A139-P238 HydrophobicContact CB-CG 4.25Å
140	N	85.8	Confident	86	Confident	39 Å²	39	43 Å²	43	21%	0.209	24%	0.24	C	C	.	.			trans	-70.1	119.1	-180	-170.9	-18.7	0	0	0	110.6	R40 K74 G136 L137 Q138 N142	R40-N140 PolarHBondContact NH2-O 3.48Å; R40-N140 VanDerWaalsContact NH2-O 3.1Å; K74-N140 PolarHBondContact NZ-O 3.43Å; G136-N140 PolarHBondContact O-N 2.93Å; L137-N140 PolarHBondContact O-N 2.92Å; Q138-N140 VanDerWaalsContact C-N 3.28Å; N140-N142 VanDerWaalsContact OD1-CB 3.29Å; N140-N142 WeakPolarHBondContact OD1-CB 3.27Å; N140-N142 PolarHBondContact OD1-N 3.36Å
141	R	80.6	Confident	85.8	Confident	67 Å²	67	45.1 Å²	45.1	25%	0.253	25%	0.252	S	S	.	.			trans	-96	-3.5	-179	-60.2	-176.9	-173.7	-132.5	20.2	114.2	D49 N51 Y53 E67 A139	D49-R141 IonicContact OD2-NH2 3.64Å; N51-R141 VanDerWaalsContact CB-NH1 3.34Å; N51-R141 VanDerWaalsContact O-CZ 3.3Å; N51-R141 PolarHBondContact O-NH1 3.15Å; N51-R141 PolarHBondContact O-NH2 2.93Å; Y53-R141 PolarHBondContact OH-NH1 3.05Å; E67-R141 WeakPolarHBondContact CG-O 3.42Å; E67-R141 WeakPolarHBondContact OE1-CA 3.43Å; A139-R141 PolarHBondContact O-N 2.89Å
142	N	80.4	Confident	85.7	Confident	84 Å²	84	45.4 Å²	45.4	45%	0.449	26%	0.261	S	S	.	.	S	Bend	trans	-66.6	167.8	178.1	-65.9	12.2	0	0	0	111.3	K74 N140 E146	K74-N142 PolarHBondContact NZ-O 2.96Å; N140-N142 VanDerWaalsContact OD1-CB 3.29Å; N140-N142 WeakPolarHBondContact OD1-CB 3.27Å; N140-N142 PolarHBondContact OD1-N 3.36Å; N142-E146 HydrophobicContact CB-CB 4.32Å; N142-E146 PolarHBondContact ND2-OE2 3.02Å
143	T	75.8	Confident	85.5	Confident	72 Å²	72	47.7 Å²	47.7	44%	0.442	27%	0.27	S	S	.	.			trans	-54.8	144.8	173.7	-51.5	0	0	0	0	111.3	A145 E146	T143-A145 HydrophobicContact CG2-CB 4.41Å; T143-A145 PolarHBondContact O-N 3.33Å; T143-A145 VanDerWaalsContact O-N 3.09Å; T143-E146 PolarHBondContact O-N 3.26Å
144	F	73.9	Confident	85.3	Confident	91 Å²	91	48 Å²	48	40%	0.399	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-53.1	-34	-179.6	-174.6	-92.3	0	0	0	113.1	F70 K74 E146 Q147	F70-F144 HydrophobicContact CB-CB 4Å; F70-F144 HydrophobicContact CB-CD1 4.18Å; F70-F144 HydrophobicContact CB-CD2 3.93Å; F70-F144 HydrophobicContact CB-CE2 4.47Å; F70-F144 HydrophobicContact CB-CG 3.78Å; F70-F144 WeakPolarHBondContact O-CD2 3.39Å; K74-F144 HydrophobicContact CG-CD2 3.87Å; K74-F144 HydrophobicContact CG-CE2 4.31Å; F144-E146 VanDerWaalsContact C-N 3.31Å; F144-E146 PolarHBondContact O-N 3.12Å; F144-Q147 WeakPolarHBondContact O-CB 3.41Å; F144-Q147 PolarHBondContact O-N 2.89Å
145	A	71.4	Confident	85.2	Confident	92 Å²	92	55 Å²	55	76%	0.76	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.2	-28.4	178.7	0	0	0	0	0	114.2	T143 Q147	T143-A145 HydrophobicContact CG2-CB 4.41Å; T143-A145 PolarHBondContact O-N 3.33Å; T143-A145 VanDerWaalsContact O-N 3.09Å; A145-Q147 VanDerWaalsContact C-N 3.33Å
146	E	79.6	Confident	85.1	Confident	128 Å²	128	59 Å²	59	60%	0.598	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-87	-8.5	179.5	-63.4	179.4	-176.3	0	0	112.5	N142 T143 F144	N142-E146 HydrophobicContact CB-CB 4.32Å; N142-E146 PolarHBondContact ND2-OE2 3.02Å; T143-E146 PolarHBondContact O-N 3.26Å; F144-E146 VanDerWaalsContact C-N 3.31Å; F144-E146 PolarHBondContact O-N 3.12Å
147	Q	79.1	Confident	85	Confident	26 Å²	26	59.2 Å²	59.2	12%	0.121	32%	0.318	C	S	.	.	S	Bend	trans	-76.2	132.6	-176.2	-173.7	170.4	-0.4	0	0	110.9	L137 F144 A145	L137-Q147 VanDerWaalsContact CA-NE2 3.3Å; L137-Q147 HydrophobicContact CD2-CG 4Å; L137-Q147 PolarHBondContact O-NE2 3.39Å; F144-Q147 WeakPolarHBondContact O-CB 3.41Å; F144-Q147 PolarHBondContact O-N 2.89Å; A145-Q147 VanDerWaalsContact C-N 3.33Å
148	P	82.9	Confident	84.9	Confident	47 Å²	47	61.3 Å²	61.3	31%	0.305	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-63.5	147.7	173.2	26.2	-34.7	0	0	0	111	L137 Y153	L137-P148 WeakPolarHBondContact CD2-O 3.36Å; P148-Y153 HydrophobicContact CG-CD2 3.86Å; P148-Y153 HydrophobicContact CG-CG 4.44Å
149	S	89.4	Confident	84.8	Confident	79 Å²	79	70.5 Å²	70.5	55%	0.552	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-58.8	156.7	172.6	70.7	0	0	0	0	111.3	M151 G152 Y153	S149-M151 VanDerWaalsContact C-N 3.26Å; S149-M151 PolarHBondContact O-N 3.21Å; S149-G152 WeakPolarHBondContact O-CA 3.33Å; S149-G152 PolarHBondContact O-N 3.11Å; S149-G152 PolarHBondContact OG-N 3.43Å; S149-G152 VanDerWaalsContact OG-N 3.08Å; S149-Y153 PolarHBondContact O-N 3.17Å
150	T	89.8	Confident	84.8	Confident	27 Å²	27	77.1 Å²	77.1	17%	0.166	39%	0.394	C	S	.	.	H	α-helix	trans	-53.2	-44.3	179	-61.5	0	0	0	0	112.9	L77 P78 V133 L137 A154	L77-T150 HydrophobicContact CB-CG2 4.32Å; P78-T150 HydrophobicContact CG-CG2 3.64Å; V133-T150 HydrophobicContact CG1-CG2 3.71Å; L137-T150 HydrophobicContact CD1-CG2 4.33Å; T150-A154 WeakPolarHBondContact O-CB 3.06Å; T150-A154 PolarHBondContact O-N 3.15Å
151	M	89.3	Confident	84.7	Confident	113 Å²	113	79.7 Å²	79.7	56%	0.557	41%	0.405	S	S	*	.	H	α-helix	trans	-70.9	-37.3	177	-169.6	60.2	65.6	0	0	112	S149 A154 R155	S149-M151 VanDerWaalsContact C-N 3.26Å; S149-M151 PolarHBondContact O-N 3.21Å; M151-A154 PolarHBondContact O-N 3.21Å; M151-R155 WeakPolarHBondContact O-CB 3.39Å; M151-R155 VanDerWaalsContact O-CG 3.29Å; M151-R155 WeakPolarHBondContact O-CG 3.2Å; M151-R155 PolarHBondContact O-N 3.18Å
152	G	89.3	Confident	85.1	Confident	29 Å²	29	77.6 Å²	77.6	30%	0.299	40%	0.404	S	S	.	.	H	α-helix	trans	-61.8	-45.4	175.7	0	0	0	0	0	112.2	S149 R155 Q156	S149-G152 WeakPolarHBondContact O-CA 3.33Å; S149-G152 PolarHBondContact O-N 3.11Å; S149-G152 PolarHBondContact OG-N 3.43Å; S149-G152 VanDerWaalsContact OG-N 3.08Å; G152-R155 PolarHBondContact O-N 3.43Å; G152-Q156 WeakPolarHBondContact O-CB 3.47Å; G152-Q156 PolarHBondContact O-N 3.01Å
153	Y	90.1	Very high	85.2	Confident	47 Å²	47	81.7 Å²	81.7	18%	0.184	41%	0.414	C	S	.	.	H	α-helix	trans	-66	-43.4	177.1	-168.2	-107.6	0	0	0	112	V133 G136 L137 P148 S149 R155 Q156 I157	V133-Y153 HydrophobicContact CG1-CD1 4.18Å; G136-Y153 WeakPolarHBondContact CA-OH 3.46Å; L137-Y153 HydrophobicContact CD2-CD1 4.23Å; L137-Y153 HydrophobicContact CD2-CD2 4.46Å; L137-Y153 HydrophobicContact CD2-CG 3.95Å; L137-Y153 HydrophobicContact CG-CD1 4.11Å; L137-Y153 HydrophobicContact CG-CG 4.34Å; P148-Y153 HydrophobicContact CG-CD2 3.86Å; P148-Y153 HydrophobicContact CG-CG 4.44Å; S149-Y153 PolarHBondContact O-N 3.17Å; Y153-R155 PolarHBondContact O-N 2.84Å; Y153-Q156 WeakPolarHBondContact O-CB 3.31Å; Y153-Q156 PolarHBondContact O-N 2.79Å; Y153-I157 HydrophobicContact CD1-CD1 3.81Å; Y153-I157 HydrophobicContact CE1-CD1 3.5Å; Y153-I157 VanDerWaalsContact CE1-CD1 3.5Å; Y153-I157 HydrophobicContact CE1-CG1 4.29Å; Y153-I157 WeakPolarHBondContact O-CG1 3.48Å; Y153-I157 PolarHBondContact O-N 3.37Å
154	A	89.4	Confident	85.5	Confident	15 Å²	15	80.3 Å²	80.3	12%	0.124	41%	0.413	C	S	.	.	H	α-helix	trans	-59	-46.4	174.4	0	0	0	0	0	111.9	V133 T150 M151 Q156 I157 I158	V133-A154 HydrophobicContact CG2-CB 3.85Å; T150-A154 WeakPolarHBondContact O-CB 3.06Å; T150-A154 PolarHBondContact O-N 3.15Å; M151-A154 PolarHBondContact O-N 3.21Å; A154-Q156 VanDerWaalsContact C-N 3.32Å; A154-Q156 PolarHBondContact O-N 3.11Å; A154-I157 PolarHBondContact O-N 3.33Å; A154-I158 WeakPolarHBondContact O-CD1 3.29Å; A154-I158 VanDerWaalsContact O-CG1 3.31Å; A154-I158 WeakPolarHBondContact O-CG1 3.45Å; A154-I158 PolarHBondContact O-N 2.91Å
155	R	90.8	Very high	85.9	Confident	172 Å²	172	81.9 Å²	81.9	65%	0.649	43%	0.425	S	S	*	.	H	α-helix	trans	-62	-38.1	175.4	-74.5	177.1	-174.4	174.5	1.8	112.2	M151 G152 Y153 I158 K159	M151-R155 WeakPolarHBondContact O-CB 3.39Å; M151-R155 VanDerWaalsContact O-CG 3.29Å; M151-R155 WeakPolarHBondContact O-CG 3.2Å; M151-R155 PolarHBondContact O-N 3.18Å; G152-R155 PolarHBondContact O-N 3.43Å; Y153-R155 PolarHBondContact O-N 2.84Å; R155-I158 PolarHBondContact O-N 3.15Å; R155-K159 WeakPolarHBondContact O-CB 3.08Å; R155-K159 PolarHBondContact O-N 2.73Å
156	Q	90	Very high	86.3	Confident	85 Å²	85	83.3 Å²	83.3	40%	0.397	42%	0.416	S	S	.	.	H	α-helix	trans	-63.2	-43.9	176.9	-171.1	-176.5	22.5	0	0	111.6	G152 Y153 A154 K159 K160	G152-Q156 WeakPolarHBondContact O-CB 3.47Å; G152-Q156 PolarHBondContact O-N 3.01Å; Y153-Q156 WeakPolarHBondContact O-CB 3.31Å; Y153-Q156 PolarHBondContact O-N 2.79Å; A154-Q156 VanDerWaalsContact C-N 3.32Å; A154-Q156 PolarHBondContact O-N 3.11Å; Q156-K159 PolarHBondContact O-N 3.3Å; Q156-K160 HydrophobicContact CG-CD 4.31Å; Q156-K160 WeakPolarHBondContact O-CB 3.29Å; Q156-K160 WeakPolarHBondContact O-CG 3.42Å; Q156-K160 PolarHBondContact O-N 3.33Å
157	I	88.1	Confident	86.6	Confident	9 Å²	9	77.2 Å²	77.2	5%	0.046	39%	0.388	C	S	.	.	H	α-helix	trans	-61.5	-49.4	174.9	-66.4	170.4	0	0	0	110	V132 Y153 A154 K159 K160 E161 G162 L168	V132-I157 HydrophobicContact CG1-CD1 4Å; Y153-I157 HydrophobicContact CD1-CD1 3.81Å; Y153-I157 HydrophobicContact CE1-CD1 3.5Å; Y153-I157 VanDerWaalsContact CE1-CD1 3.5Å; Y153-I157 HydrophobicContact CE1-CG1 4.29Å; Y153-I157 WeakPolarHBondContact O-CG1 3.48Å; Y153-I157 PolarHBondContact O-N 3.37Å; A154-I157 PolarHBondContact O-N 3.33Å; I157-K159 VanDerWaalsContact C-N 3.28Å; I157-K159 PolarHBondContact O-N 3.25Å; I157-K160 PolarHBondContact O-N 2.89Å; I157-E161 PolarHBondContact O-N 3.07Å; I157-G162 PolarHBondContact O-N 3.16Å; I157-L168 HydrophobicContact CG2-CB 4.4Å
158	I	89.4	Confident	87	Confident	47 Å²	47	76.5 Å²	76.5	24%	0.241	39%	0.385	C	S	.	.	H	α-helix	trans	-59	-41.7	-179.8	-68.6	161.6	0	0	0	111.1	A154 R155 G162 W163 L168	A154-I158 WeakPolarHBondContact O-CD1 3.29Å; A154-I158 VanDerWaalsContact O-CG1 3.31Å; A154-I158 WeakPolarHBondContact O-CG1 3.45Å; A154-I158 PolarHBondContact O-N 2.91Å; R155-I158 PolarHBondContact O-N 3.15Å; I158-G162 WeakPolarHBondContact O-CA 3.39Å; I158-G162 PolarHBondContact O-N 3.38Å; I158-W163 HydrophobicContact CD1-CD2 4.49Å; I158-W163 HydrophobicContact CD1-CH2 3.99Å; I158-W163 HydrophobicContact CD1-CZ2 3.58Å; I158-W163 HydrophobicContact CG1-CD2 4.37Å; I158-W163 HydrophobicContact CG1-CZ2 4.27Å; I158-W163 VanDerWaalsContact CG2-NE1 3.34Å; I158-L168 HydrophobicContact CD1-CD2 4.27Å; I158-L168 HydrophobicContact CG1-CD2 4.32Å
159	K	88.9	Confident	87.3	Confident	194 Å²	194	76.3 Å²	76.3	84%	0.843	38%	0.381	S	S	*	.	H	α-helix	trans	-70.8	-34.7	-179.3	-170.1	175.6	-179.6	179.9	0	113	R155 Q156 I157	R155-K159 WeakPolarHBondContact O-CB 3.08Å; R155-K159 PolarHBondContact O-N 2.73Å; Q156-K159 PolarHBondContact O-N 3.3Å; I157-K159 VanDerWaalsContact C-N 3.28Å; I157-K159 PolarHBondContact O-N 3.25Å
160	K	86.5	Confident	87.3	Confident	157 Å²	157	73.9 Å²	73.9	68%	0.683	36%	0.361	S	S	*	.	H	α-helix	trans	-87.2	-43.9	-177.8	-73.8	-173.3	172.8	-174.1	0	113.6	Q156 I157	Q156-K160 HydrophobicContact CG-CD 4.31Å; Q156-K160 WeakPolarHBondContact O-CB 3.29Å; Q156-K160 WeakPolarHBondContact O-CG 3.42Å; Q156-K160 PolarHBondContact O-N 3.33Å; I157-K160 PolarHBondContact O-N 2.89Å
161	E	84.2	Confident	87.3	Confident	92 Å²	92	72.9 Å²	72.9	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-122.6	-8.7	-166.5	-62.1	170.7	-173.7	0	0	112.5	I157 Q166 K170	I157-E161 PolarHBondContact O-N 3.07Å; E161-Q166 VanDerWaalsContact OE2-O 3.12Å; E161-K170 IonicContact OE2-NZ 2.8Å
162	G	87.9	Confident	87.4	Confident	24 Å²	24	69 Å²	69	25%	0.247	34%	0.337	C	S	.	.			trans	78.7	-169.7	178	0	0	0	0	0	115.1	I157 I158 G167 L168	I157-G162 PolarHBondContact O-N 3.16Å; I158-G162 WeakPolarHBondContact O-CA 3.39Å; I158-G162 PolarHBondContact O-N 3.38Å; G162-G167 WeakPolarHBondContact O-CA 3.38Å; G162-L168 PolarHBondContact O-N 2.93Å
163	W	83.3	Confident	87.5	Confident	170 Å²	170	71.1 Å²	71.1	64%	0.644	34%	0.344	S	S	*	.	S	Bend	trans	-86.9	-9.7	178.4	-70.2	86.3	0	0	0	113.7	I158 L168 N169	I158-W163 HydrophobicContact CD1-CD2 4.49Å; I158-W163 HydrophobicContact CD1-CH2 3.99Å; I158-W163 HydrophobicContact CD1-CZ2 3.58Å; I158-W163 HydrophobicContact CG1-CD2 4.37Å; I158-W163 HydrophobicContact CG1-CZ2 4.27Å; I158-W163 VanDerWaalsContact CG2-NE1 3.34Å; W163-L168 HydrophobicContact CE3-CD2 3.76Å; W163-L168 HydrophobicContact CH2-CD2 4.38Å; W163-L168 HydrophobicContact CZ3-CD2 3.65Å; W163-N169 PolarHBondContact O-ND2 2.79Å
164	G	83.3	Confident	87.6	Confident	42 Å²	42	68.9 Å²	68.9	43%	0.433	34%	0.335	S	S	.	.	S	Bend	trans	-73.5	-172.5	-173.4	0	0	0	0	0	114.1	Q166 G167 N169	G164-Q166 PolarHBondContact O-N 3.35Å; G164-G167 PolarHBondContact O-N 2.71Å; G164-G167 VanDerWaalsContact O-N 3.09Å; G164-N169 WeakPolarHBondContact O-CB 3.49Å; G164-N169 PolarHBondContact O-N 2.81Å; G164-N169 VanDerWaalsContact O-N 3.16Å
165	L	82.1	Confident	87.8	Confident	125 Å²	125	68.1 Å²	68.1	65%	0.654	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-8.6	179.4	-63.1	176.4	0	0	0	114.3	N169 K170 L172	L165-N169 HydrophobicContact CD2-CB 4.37Å; L165-K170 VanDerWaalsContact O-CA 3.26Å; L165-K170 WeakPolarHBondContact O-CA 3.45Å; L165-L172 HydrophobicContact CD2-CB 4.13Å; L165-L172 HydrophobicContact CD2-CD2 3.93Å
166	Q	78.8	Confident	88	Confident	121 Å²	121	62.1 Å²	62.1	57%	0.565	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-21.4	175.7	-63	-175.9	3.5	0	0	112.7	E161 G164	E161-Q166 VanDerWaalsContact OE2-O 3.12Å; G164-Q166 PolarHBondContact O-N 3.35Å
167	G	85.4	Confident	88.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-113.7	-178.1	0	0	0	0	0	112.5	G162 G164 N169 K170	G162-G167 WeakPolarHBondContact O-CA 3.38Å; G164-G167 PolarHBondContact O-N 2.71Å; G164-G167 VanDerWaalsContact O-N 3.09Å; G167-N169 PolarHBondContact O-N 3.4Å; G167-N169 VanDerWaalsContact O-N 3.12Å; G167-K170 WeakPolarHBondContact O-CB 3.23Å; G167-K170 VanDerWaalsContact O-CG 3.22Å; G167-K170 WeakPolarHBondContact O-CG 3.45Å; G167-K170 PolarHBondContact O-N 3.17Å
168	L	87.4	Confident	88.3	Confident	12 Å²	12	60.8 Å²	60.8	6%	0.063	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.5	-173.4	-164.4	67.5	0	0	0	113.4	P129 V132 V133 I157 I158 G162 W163	P129-L168 WeakPolarHBondContact CA-O 2.95Å; P129-L168 HydrophobicContact CB-CD1 4.35Å; P129-L168 HydrophobicContact CB-CD2 3.77Å; P129-L168 HydrophobicContact CB-CG 3.69Å; V132-L168 WeakPolarHBondContact CG2-O 3.29Å; V133-L168 HydrophobicContact CG2-CD1 3.81Å; I157-L168 HydrophobicContact CG2-CB 4.4Å; I158-L168 HydrophobicContact CD1-CD2 4.27Å; I158-L168 HydrophobicContact CG1-CD2 4.32Å; G162-L168 PolarHBondContact O-N 2.93Å; W163-L168 HydrophobicContact CE3-CD2 3.76Å; W163-L168 HydrophobicContact CH2-CD2 4.38Å; W163-L168 HydrophobicContact CZ3-CD2 3.65Å
169	N	89	Confident	88.5	Confident	42 Å²	42	59.3 Å²	59.3	23%	0.225	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	17.6	175.8	-77.3	-60.1	0	0	0	114.6	N128 W163 G164 L165 G167 L172	N128-N169 VanDerWaalsContact ND2-C 3.3Å; N128-N169 WeakPolarHBondContact ND2-CA 3.36Å; N128-N169 PolarHBondContact ND2-O 3.45Å; N128-N169 VanDerWaalsContact ND2-O 3.15Å; N128-N169 PolarHBondContact ND2-OD1 3.05Å; W163-N169 PolarHBondContact O-ND2 2.79Å; G164-N169 WeakPolarHBondContact O-CB 3.49Å; G164-N169 PolarHBondContact O-N 2.81Å; G164-N169 VanDerWaalsContact O-N 3.16Å; L165-N169 HydrophobicContact CD2-CB 4.37Å; G167-N169 PolarHBondContact O-N 3.4Å; G167-N169 VanDerWaalsContact O-N 3.12Å; N169-L172 WeakPolarHBondContact O-CB 3.49Å; N169-L172 PolarHBondContact O-N 2.96Å
170	K	89.8	Confident	88.6	Confident	29 Å²	29	50.1 Å²	50.1	13%	0.126	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	141.7	177.5	71.7	-175.3	171.9	-178.3	0	112.8	V132 E161 L165 G167 L172 Q236	V132-K170 HydrophobicContact CG1-CD 4.28Å; V132-K170 HydrophobicContact CG1-CG 3.93Å; V132-K170 HydrophobicContact CG2-CG 3.84Å; V132-K170 VanDerWaalsContact CG2-O 3.24Å; V132-K170 WeakPolarHBondContact CG2-O 3.44Å; E161-K170 IonicContact OE2-NZ 2.8Å; L165-K170 VanDerWaalsContact O-CA 3.26Å; L165-K170 WeakPolarHBondContact O-CA 3.45Å; G167-K170 WeakPolarHBondContact O-CB 3.23Å; G167-K170 VanDerWaalsContact O-CG 3.22Å; G167-K170 WeakPolarHBondContact O-CG 3.45Å; G167-K170 PolarHBondContact O-N 3.17Å; K170-L172 VanDerWaalsContact C-N 3.28Å; K170-L172 PolarHBondContact O-N 3.41Å; K170-Q236 VanDerWaalsContact CE-O 3.25Å; K170-Q236 WeakPolarHBondContact CE-O 3.41Å; K170-Q236 HydrophobicContact CG-CG 4.35Å; K170-Q236 PolarHBondContact NZ-O 3.48Å; K170-Q236 WeakPolarHBondContact O-CG 3.38Å; K170-Q236 PolarHBondContact O-NE2 3.22Å
171	G	89.4	Confident	88.9	Confident	5 Å²	5	43.9 Å²	43.9	5%	0.052	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	10.3	-178.8	0	0	0	0	0	115.2	T173 A174 T175 I235	G171-T173 PolarHBondContact O-N 2.89Å; G171-T173 VanDerWaalsContact O-N 3.13Å; G171-A174 WeakPolarHBondContact O-CA 3.5Å; G171-A174 WeakPolarHBondContact O-CB 3.38Å; G171-A174 PolarHBondContact O-N 2.98Å; G171-T175 PolarHBondContact O-N 2.9Å; G171-T175 PolarHBondContact O-OG1 3.38Å; G171-I235 VanDerWaalsContact CA-CG2 3.49Å
172	L	92.2	Very high	89.4	Confident	33 Å²	33	41.7 Å²	41.7	17%	0.173	22%	0.221	C	C	.	.	H	α-helix	trans	-50.3	-41	178.9	-179.8	62	0	0	0	112.8	V125 N128 L165 N169 K170 A174 T175 L176	V125-L172 HydrophobicContact CG2-CD1 4.48Å; N128-L172 HydrophobicContact CB-CD1 3.87Å; L165-L172 HydrophobicContact CD2-CB 4.13Å; L165-L172 HydrophobicContact CD2-CD2 3.93Å; N169-L172 WeakPolarHBondContact O-CB 3.49Å; N169-L172 PolarHBondContact O-N 2.96Å; K170-L172 VanDerWaalsContact C-N 3.28Å; K170-L172 PolarHBondContact O-N 3.41Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.45Å; L172-T175 PolarHBondContact O-N 2.95Å; L172-L176 HydrophobicContact CD1-CD1 4.4Å; L172-L176 HydrophobicContact CD1-CG 4.21Å; L172-L176 HydrophobicContact CG-CD1 3.99Å; L172-L176 HydrophobicContact CG-CG 4.3Å; L172-L176 WeakPolarHBondContact O-CB 3.46Å; L172-L176 VanDerWaalsContact O-CG 3.26Å; L172-L176 WeakPolarHBondContact O-CG 3.26Å; L172-L176 PolarHBondContact O-N 2.93Å
173	T	92.2	Very high	89.6	Confident	72 Å²	72	40.7 Å²	40.7	44%	0.442	21%	0.21	S	C	.	.	H	α-helix	trans	-60.4	-37.7	177.2	56.9	0	0	0	0	113	G171 G177 C250	G171-T173 PolarHBondContact O-N 2.89Å; G171-T173 VanDerWaalsContact O-N 3.13Å; T173-G177 PolarHBondContact O-N 3.03Å; T173-G177 VanDerWaalsContact O-N 3.14Å; T173-C250 PolarHBondContact OG1-N 3.2Å
174	A	92.2	Very high	90	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-77.3	-34.2	177.1	0	0	0	0	0	111.5	G171 L172 G177 R178 A231 K232 I235 C250	G171-A174 WeakPolarHBondContact O-CA 3.5Å; G171-A174 WeakPolarHBondContact O-CB 3.38Å; G171-A174 PolarHBondContact O-N 2.98Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.45Å; A174-G177 PolarHBondContact O-N 3.41Å; A174-R178 VanDerWaalsContact O-CB 3.25Å; A174-R178 WeakPolarHBondContact O-CB 3.24Å; A174-R178 PolarHBondContact O-N 3.35Å; A174-A231 HydrophobicContact CB-CB 4.41Å; A174-K232 HydrophobicContact CB-CB 3.66Å; A174-K232 HydrophobicContact CB-CG 4.38Å; A174-I235 HydrophobicContact CB-CD1 4Å; A174-C250 HydrophobicContact CB-CB 3.91Å
175	T	92.9	Very high	90.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-43.3	172.4	-50.4	0	0	0	0	111.3	A124 V127 N128 G171 L172 R178 H179 Q236	A124-T175 HydrophobicContact CB-CG2 3.96Å; V127-T175 HydrophobicContact CG2-CG2 4.34Å; N128-T175 HydrophobicContact CB-CG2 4.25Å; N128-T175 WeakPolarHBondContact OD1-CB 3.44Å; N128-T175 PolarHBondContact OD1-OG1 2.99Å; G171-T175 PolarHBondContact O-N 2.9Å; G171-T175 PolarHBondContact O-OG1 3.38Å; L172-T175 PolarHBondContact O-N 2.95Å; T175-R178 WeakPolarHBondContact O-CB 3.24Å; T175-R178 PolarHBondContact O-N 3.37Å; T175-H179 PolarHBondContact O-CD2 2.98Å; T175-H179 VanDerWaalsContact O-CD2 3.3Å; T175-H179 PolarHBondContact O-N 2.84Å; T175-Q236 PolarHBondContact OG1-NE2 3Å
176	L	94.1	Very high	90.8	Very high	45 Å²	45	31.2 Å²	31.2	24%	0.236	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-49.5	174.2	-73.9	165.9	0	0	0	111.2	L121 A124 V125 L172 R178 H179 G180	L121-L176 HydrophobicContact CB-CD2 4.09Å; L121-L176 HydrophobicContact CD2-CB 3.86Å; L121-L176 HydrophobicContact CD2-CD2 3.71Å; L121-L176 HydrophobicContact CD2-CG 4.38Å; L121-L176 WeakPolarHBondContact O-CD2 3.1Å; A124-L176 HydrophobicContact CB-CD2 3.77Å; A124-L176 HydrophobicContact CB-CG 4.21Å; V125-L176 HydrophobicContact CG2-CD2 4.32Å; L172-L176 HydrophobicContact CD1-CD1 4.4Å; L172-L176 HydrophobicContact CD1-CG 4.21Å; L172-L176 HydrophobicContact CG-CD1 3.99Å; L172-L176 HydrophobicContact CG-CG 4.3Å; L172-L176 WeakPolarHBondContact O-CB 3.46Å; L172-L176 VanDerWaalsContact O-CG 3.26Å; L172-L176 WeakPolarHBondContact O-CG 3.26Å; L172-L176 PolarHBondContact O-N 2.93Å; L176-R178 VanDerWaalsContact C-N 3.33Å; L176-R178 PolarHBondContact O-N 2.93Å; L176-H179 PolarHBondContact O-N 3.46Å; L176-G180 WeakPolarHBondContact O-CA 3.24Å; L176-G180 PolarHBondContact O-N 3.3Å
177	G	92.3	Very high	91.1	Very high	14 Å²	14	27.3 Å²	27.3	14%	0.144	14%	0.14	C	C	.	.	H	α-helix	trans	-58	-46.3	174.9	0	0	0	0	0	111.9	T173 A174 H179 V181	T173-G177 PolarHBondContact O-N 3.03Å; T173-G177 VanDerWaalsContact O-N 3.14Å; A174-G177 PolarHBondContact O-N 3.41Å; G177-H179 PolarHBondContact O-N 3.48Å; G177-V181 WeakPolarHBondContact O-CB 3.36Å; G177-V181 WeakPolarHBondContact O-CG2 2.84Å; G177-V181 PolarHBondContact O-N 3.36Å
178	R	92.8	Very high	91.2	Very high	53 Å²	53	27.9 Å²	27.9	20%	0.2	15%	0.145	C	C	.	.	H	α-helix	trans	-57.7	-48.9	179.3	164.7	-176.9	173.4	122	-7.8	113.4	A174 T175 L176 F182 N225 F228 D229	A174-R178 VanDerWaalsContact O-CB 3.25Å; A174-R178 WeakPolarHBondContact O-CB 3.24Å; A174-R178 PolarHBondContact O-N 3.35Å; T175-R178 WeakPolarHBondContact O-CB 3.24Å; T175-R178 PolarHBondContact O-N 3.37Å; L176-R178 VanDerWaalsContact C-N 3.33Å; L176-R178 PolarHBondContact O-N 2.93Å; R178-F182 WeakPolarHBondContact O-CB 3.14Å; R178-F182 PolarHBondContact O-N 3.27Å; R178-N225 VanDerWaalsContact CA-OD1 3.24Å; R178-N225 WeakPolarHBondContact CA-OD1 3.45Å; R178-N225 PolarHBondContact O-ND2 3.46Å; R178-N225 PolarHBondContact O-OD1 3.17Å; R178-F228 HydrophobicContact CB-CB 4.2Å; R178-D229 VanDerWaalsContact CD-OD1 3.24Å; R178-D229 WeakPolarHBondContact CD-OD1 3.32Å; R178-D229 VanDerWaalsContact CG-OD1 3.24Å; R178-D229 WeakPolarHBondContact CG-OD1 3.17Å; R178-D229 IonicContact CZ-OD1 2.79Å; R178-D229 IonicContact NE-OD1 3.83Å; R178-D229 IonicContact NH1-OD1 3.53Å; R178-D229 PolarHBondContact NH1-OD1 3.18Å; R178-D229 IonicContact NH1-OD2 2.81Å; R178-D229 PolarHBondContact NH1-OD2 2.92Å
179	H	92.7	Very high	91.1	Very high	15 Å²	15	31.4 Å²	31.4	7%	0.069	16%	0.16	C	C	.	.	H	α-helix	trans	-83	-40.5	-174.4	-77.1	-89	0	0	0	111.4	G120 E123 A124 E131 T175 L176 G177 N183	G120-H179 WeakPolarHBondContact O-CB 3.37Å; E123-H179 IonicContact OE1-CE1 3.38Å; E123-H179 IonicContact OE1-ND1 2.8Å; E123-H179 PolarHBondContact OE1-ND1 3.31Å; A124-H179 HydrophobicContact CB-CB 4.12Å; E131-H179 IonicContact OE1-CD2 3.01Å; E131-H179 IonicContact OE1-CE1 3.34Å; E131-H179 IonicContact OE1-NE2 2.73Å; E131-H179 PolarHBondContact OE1-NE2 3.41Å; T175-H179 PolarHBondContact O-CD2 2.98Å; T175-H179 VanDerWaalsContact O-CD2 3.3Å; T175-H179 PolarHBondContact O-N 2.84Å; L176-H179 PolarHBondContact O-N 3.46Å; G177-H179 PolarHBondContact O-N 3.48Å; H179-N183 WeakPolarHBondContact O-CB 3.48Å; H179-N183 PolarHBondContact O-N 3.38Å; H179-N183 PolarHBondContact O-ND2 2.85Å
180	G	92.4	Very high	90.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-54.2	178.2	0	0	0	0	0	112.5	L176 F182 N183 M184	L176-G180 WeakPolarHBondContact O-CA 3.24Å; L176-G180 PolarHBondContact O-N 3.3Å; G180-F182 PolarHBondContact O-N 2.97Å; G180-N183 PolarHBondContact O-N 3.46Å; G180-M184 VanDerWaalsContact O-CB 3.24Å; G180-M184 WeakPolarHBondContact O-CB 3.48Å; G180-M184 PolarHBondContact O-N 3.45Å
181	V	93.1	Very high	90.6	Very high	27 Å²	27	33.6 Å²	33.6	16%	0.164	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-42.9	-178.6	177.8	0	0	0	0	110.7	G177 M184 V185 I224 F228	G177-V181 WeakPolarHBondContact O-CB 3.36Å; G177-V181 WeakPolarHBondContact O-CG2 2.84Å; G177-V181 PolarHBondContact O-N 3.36Å; V181-M184 PolarHBondContact O-N 2.85Å; V181-V185 HydrophobicContact CG1-CG2 4.26Å; V181-V185 WeakPolarHBondContact O-CB 3.41Å; V181-V185 VanDerWaalsContact O-CG2 3.28Å; V181-V185 WeakPolarHBondContact O-CG2 3.33Å; V181-V185 PolarHBondContact O-N 3.28Å; V181-I224 HydrophobicContact CG1-CG2 3.79Å; V181-F228 HydrophobicContact CB-CE2 4.32Å; V181-F228 HydrophobicContact CG1-CE2 4.22Å; V181-F228 HydrophobicContact CG2-CE2 3.94Å; V181-F228 HydrophobicContact CG2-CZ 3.94Å
182	F	93.3	Very high	90.4	Very high	46 Å²	46	37 Å²	37	20%	0.202	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-52.4	176.9	-179.4	-94.5	0	0	0	112	R178 G180 V185 Y186 A221 N225	R178-F182 WeakPolarHBondContact O-CB 3.14Å; R178-F182 PolarHBondContact O-N 3.27Å; G180-F182 PolarHBondContact O-N 2.97Å; F182-V185 PolarHBondContact O-N 2.9Å; F182-Y186 HydrophobicContact CZ-CD2 4.41Å; F182-Y186 WeakPolarHBondContact O-CB 3.48Å; F182-Y186 PolarHBondContact O-N 3.35Å; F182-A221 HydrophobicContact CD2-CB 3.72Å; F182-A221 HydrophobicContact CE2-CB 3.73Å; F182-A221 HydrophobicContact CG-CB 4.47Å; F182-A221 HydrophobicContact CZ-CB 4.47Å; F182-N225 HydrophobicContact CB-CB 4.23Å; F182-N225 HydrophobicContact CD2-CB 4.25Å
183	N	91.8	Very high	90	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.011	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-39.3	-177.6	-76.7	-29	0	0	0	111.7	K90 G116 G120 E123 H179 G180 Y186 F187	K90-N183 PolarHBondContact NZ-OD1 2.88Å; G116-N183 WeakPolarHBondContact O-CB 3.35Å; G120-N183 WeakPolarHBondContact CA-ND2 3.16Å; E123-N183 PolarHBondContact OE2-ND2 3.23Å; H179-N183 WeakPolarHBondContact O-CB 3.48Å; H179-N183 PolarHBondContact O-N 3.38Å; H179-N183 PolarHBondContact O-ND2 2.85Å; G180-N183 PolarHBondContact O-N 3.46Å; N183-Y186 PolarHBondContact O-N 3.35Å; N183-F187 HydrophobicContact CB-CD2 4.26Å; N183-F187 HydrophobicContact CB-CE2 4.35Å; N183-F187 WeakPolarHBondContact O-CB 3.28Å; N183-F187 WeakPolarHBondContact O-CD2 3.16Å; N183-F187 PolarHBondContact O-N 2.89Å
184	M	92.3	Very high	89.4	Confident	69 Å²	69	37.2 Å²	37.2	34%	0.34	18%	0.178	S	C	.	.	H	α-helix	trans	-58.1	-51.8	176.4	-177	-175.9	72	0	0	111.6	A113 L117 G180 V181 G188	A113-M184 HydrophobicContact CB-CG 4.13Å; L117-M184 HydrophobicContact CB-CB 4.1Å; L117-M184 HydrophobicContact CB-CG 4.39Å; L117-M184 HydrophobicContact CD1-CB 4.44Å; L117-M184 HydrophobicContact CD2-SD 4.32Å; G180-M184 VanDerWaalsContact O-CB 3.24Å; G180-M184 WeakPolarHBondContact O-CB 3.48Å; G180-M184 PolarHBondContact O-N 3.45Å; V181-M184 PolarHBondContact O-N 2.85Å; M184-G188 PolarHBondContact O-N 3.24Å
185	V	91.4	Very high	88.8	Confident	14 Å²	14	41.9 Å²	41.9	9%	0.085	20%	0.203	C	C	.	.	H	α-helix	trans	-66.4	-45.1	179.5	175.9	0	0	0	0	110.2	V181 F182 G188 F189 I220 A221 I224	V181-V185 HydrophobicContact CG1-CG2 4.26Å; V181-V185 WeakPolarHBondContact O-CB 3.41Å; V181-V185 VanDerWaalsContact O-CG2 3.28Å; V181-V185 WeakPolarHBondContact O-CG2 3.33Å; V181-V185 PolarHBondContact O-N 3.28Å; F182-V185 PolarHBondContact O-N 2.9Å; V185-G188 PolarHBondContact O-N 3.35Å; V185-F189 HydrophobicContact CG1-CD2 3.6Å; V185-F189 HydrophobicContact CG1-CE2 3.92Å; V185-F189 WeakPolarHBondContact O-CB 3.49Å; V185-F189 WeakPolarHBondContact O-CD2 3.03Å; V185-F189 PolarHBondContact O-N 2.89Å; V185-I220 HydrophobicContact CG1-CG2 4.25Å; V185-A221 HydrophobicContact CB-CB 4.13Å; V185-A221 HydrophobicContact CG1-CB 3.9Å; V185-I224 HydrophobicContact CG1-CD1 3.99Å; V185-I224 HydrophobicContact CG2-CD1 4.13Å; V185-I224 HydrophobicContact CG2-CG2 4.28Å
186	Y	90.3	Very high	88.2	Confident	55 Å²	55	49.2 Å²	49.2	22%	0.216	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-54.1	-179	-179.2	-93.5	0	0	0	111.6	F182 N183 Y190	F182-Y186 HydrophobicContact CZ-CD2 4.41Å; F182-Y186 WeakPolarHBondContact O-CB 3.48Å; F182-Y186 PolarHBondContact O-N 3.35Å; N183-Y186 PolarHBondContact O-N 3.35Å; Y186-Y190 WeakPolarHBondContact O-CB 3.19Å; Y186-Y190 PolarHBondContact O-N 2.88Å
187	F	86.5	Confident	87.6	Confident	40 Å²	40	50.4 Å²	50.4	18%	0.175	25%	0.245	C	C	.	.	H	α-helix	trans	-70.5	-35.2	-178.5	-74.3	-65.7	0	0	0	112.7	F94 F112 N183 Y191	F94-F187 HydrophobicContact CD2-CE2 4.14Å; F94-F187 HydrophobicContact CD2-CZ 4.38Å; F94-F187 HydrophobicContact CE2-CD1 4.13Å; F94-F187 AromaticContact CE2-CD2 3.75Å; F94-F187 HydrophobicContact CE2-CD2 3.75Å; F94-F187 HydrophobicContact CE2-CE1 4.07Å; F94-F187 AromaticContact CE2-CE2 3.69Å; F94-F187 HydrophobicContact CE2-CE2 3.69Å; F94-F187 AromaticContact CE2-CG 3.98Å; F94-F187 HydrophobicContact CE2-CG 3.98Å; F94-F187 AromaticContact CE2-CZ 3.85Å; F94-F187 HydrophobicContact CE2-CZ 3.85Å; F94-F187 AromaticContact CZ-CD1 3.92Å; F94-F187 HydrophobicContact CZ-CD1 3.92Å; F94-F187 HydrophobicContact CZ-CD2 4.37Å; F94-F187 AromaticContact CZ-CE1 3.8Å; F94-F187 HydrophobicContact CZ-CE1 3.8Å; F94-F187 HydrophobicContact CZ-CE2 4.27Å; F94-F187 HydrophobicContact CZ-CG 4.21Å; F94-F187 AromaticContact CZ-CZ 3.98Å; F94-F187 HydrophobicContact CZ-CZ 3.98Å; F112-F187 HydrophobicContact CB-CB 4.43Å; N183-F187 HydrophobicContact CB-CD2 4.26Å; N183-F187 HydrophobicContact CB-CE2 4.35Å; N183-F187 WeakPolarHBondContact O-CB 3.28Å; N183-F187 WeakPolarHBondContact O-CD2 3.16Å; N183-F187 PolarHBondContact O-N 2.89Å; F187-Y191 WeakPolarHBondContact O-CB 3.25Å; F187-Y191 PolarHBondContact O-N 3.45Å; F187-Y191 VanDerWaalsContact O-N 3.09Å
188	G	86.5	Confident	86.9	Confident	12 Å²	12	54.4 Å²	54.4	12%	0.124	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-50.5	175	0	0	0	0	0	112.4	M184 V185 N192	M184-G188 PolarHBondContact O-N 3.24Å; V185-G188 PolarHBondContact O-N 3.35Å; G188-N192 PolarHBondContact O-N 3.43Å; G188-N192 PolarHBondContact O-ND2 3.25Å
189	F	85.8	Confident	86.3	Confident	86 Å²	86	56.9 Å²	56.9	38%	0.377	29%	0.289	S	S	.	.	H	α-helix	trans	-68.9	-44.3	177.4	-88.3	-89.4	0	0	0	112.2	V185 Y191 N192 V193 I220	V185-F189 HydrophobicContact CG1-CD2 3.6Å; V185-F189 HydrophobicContact CG1-CE2 3.92Å; V185-F189 WeakPolarHBondContact O-CB 3.49Å; V185-F189 WeakPolarHBondContact O-CD2 3.03Å; V185-F189 PolarHBondContact O-N 2.89Å; F189-Y191 VanDerWaalsContact C-N 3.26Å; F189-Y191 PolarHBondContact O-N 2.96Å; F189-N192 PolarHBondContact O-N 3Å; F189-N192 VanDerWaalsContact O-N 3.14Å; F189-V193 WeakPolarHBondContact O-CG2 3.47Å; F189-V193 PolarHBondContact O-N 3.48Å; F189-I220 HydrophobicContact CD1-CD1 4.02Å; F189-I220 HydrophobicContact CD2-CG2 4.22Å; F189-I220 HydrophobicContact CE1-CD1 4.09Å; F189-I220 HydrophobicContact CE1-CG2 4.33Å; F189-I220 HydrophobicContact CE2-CG2 3.97Å; F189-I220 HydrophobicContact CZ-CG2 4.02Å
190	Y	86	Confident	85.7	Confident	52 Å²	52	59.3 Å²	59.3	20%	0.204	30%	0.303	C	S	.	.	H	α-helix	trans	-56.3	-42.8	-179.3	-174.8	-87.2	0	0	0	111.4	Y186 K194 I213 S217	Y186-Y190 WeakPolarHBondContact O-CB 3.19Å; Y186-Y190 PolarHBondContact O-N 2.88Å; Y190-K194 HydrophobicContact CE1-CD 3.92Å; Y190-K194 WeakPolarHBondContact O-CB 3.21Å; Y190-K194 PolarHBondContact O-N 2.81Å; Y190-I213 HydrophobicContact CD2-CG2 3.7Å; Y190-I213 HydrophobicContact CE2-CB 4.4Å; Y190-I213 HydrophobicContact CE2-CG2 3.89Å; Y190-I213 HydrophobicContact CG-CG2 4.3Å; Y190-S217 WeakPolarHBondContact CA-OG 3.47Å; Y190-S217 PolarHBondContact N-OG 3.3Å
191	Y	83.3	Confident	85	Confident	65 Å²	65	69.5 Å²	69.5	26%	0.255	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-46.2	177.6	-173.3	-93.2	0	0	0	112.4	P108 A109 F112 F187 F189 N195	P108-Y191 HydrophobicContact CB-CE1 3.67Å; P108-Y191 HydrophobicContact CB-CE2 4.17Å; P108-Y191 WeakPolarHBondContact CB-OH 3.28Å; A109-Y191 HydrophobicContact CB-CD1 3.74Å; A109-Y191 HydrophobicContact CB-CE1 4.26Å; F112-Y191 AromaticContact CD2-CD2 3.43Å; F112-Y191 HydrophobicContact CD2-CD2 3.43Å; F112-Y191 VanDerWaalsContact CD2-CD2 3.43Å; F112-Y191 AromaticContact CD2-CE2 3.74Å; F112-Y191 HydrophobicContact CD2-CE2 3.74Å; F112-Y191 HydrophobicContact CD2-CG 4.03Å; F112-Y191 AromaticContact CE2-CD2 3.59Å; F112-Y191 HydrophobicContact CE2-CD2 3.59Å; F112-Y191 AromaticContact CE2-CE2 3.51Å; F112-Y191 HydrophobicContact CE2-CE2 3.51Å; F112-Y191 HydrophobicContact CG-CD2 4.35Å; F187-Y191 WeakPolarHBondContact O-CB 3.25Å; F187-Y191 PolarHBondContact O-N 3.45Å; F187-Y191 VanDerWaalsContact O-N 3.09Å; F189-Y191 VanDerWaalsContact C-N 3.26Å; F189-Y191 PolarHBondContact O-N 2.96Å; Y191-N195 WeakPolarHBondContact CD1-ND2 3.33Å; Y191-N195 WeakPolarHBondContact CE1-ND2 3.22Å; Y191-N195 VanDerWaalsContact CZ-ND2 3.3Å; Y191-N195 VanDerWaalsContact O-CG 3.26Å; Y191-N195 PolarHBondContact O-N 3.2Å; Y191-N195 PolarHBondContact O-ND2 3.32Å
192	N	85	Confident	84.6	Confident	75 Å²	75	71.6 Å²	71.6	40%	0.401	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-47.6	-179.7	-78.5	-73.4	0	0	0	112	G188 F189 N195 M196	G188-N192 PolarHBondContact O-N 3.43Å; G188-N192 PolarHBondContact O-ND2 3.25Å; F189-N192 PolarHBondContact O-N 3Å; F189-N192 VanDerWaalsContact O-N 3.14Å; N192-N195 PolarHBondContact O-N 2.94Å; N192-M196 WeakPolarHBondContact O-CG 3.45Å; N192-M196 PolarHBondContact O-N 3.35Å
193	V	82.3	Confident	84	Confident	27 Å²	27	74.4 Å²	74.4	16%	0.164	38%	0.38	C	S	.	.	H	α-helix	trans	-67.3	-39.8	-179.2	-179	0	0	0	0	111	F189 N195 M196 I197 I213	F189-V193 WeakPolarHBondContact O-CG2 3.47Å; F189-V193 PolarHBondContact O-N 3.48Å; V193-N195 PolarHBondContact O-N 3.41Å; V193-M196 PolarHBondContact O-N 2.97Å; V193-M196 VanDerWaalsContact O-N 3.15Å; V193-I197 HydrophobicContact CG1-CD1 4.02Å; V193-I197 PolarHBondContact O-N 2.89Å; V193-I213 HydrophobicContact CB-CG2 4Å; V193-I213 HydrophobicContact CG1-CB 4.43Å; V193-I213 HydrophobicContact CG1-CG1 3.94Å; V193-I213 HydrophobicContact CG1-CG2 3.91Å
194	K	81	Confident	83.5	Confident	83 Å²	83	78.6 Å²	78.6	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-60.2	-31.1	177.4	-177.1	-176.6	175.4	-166.6	0	113.1	Y190 R209 I213	Y190-K194 HydrophobicContact CE1-CD 3.92Å; Y190-K194 WeakPolarHBondContact O-CB 3.21Å; Y190-K194 PolarHBondContact O-N 2.81Å; K194-R209 PolarHBondContact O-NH1 3.06Å; K194-I213 HydrophobicContact CB-CD1 4.41Å
195	N	79.1	Confident	83	Confident	98 Å²	98	79.4 Å²	79.4	52%	0.524	41%	0.411	S	S	.	.	H	α-helix	trans	-81.7	-23.4	178.8	-67.9	-18	0	0	0	113.4	Y191 N192 V193	Y191-N195 WeakPolarHBondContact CD1-ND2 3.33Å; Y191-N195 WeakPolarHBondContact CE1-ND2 3.22Å; Y191-N195 VanDerWaalsContact CZ-ND2 3.3Å; Y191-N195 VanDerWaalsContact O-CG 3.26Å; Y191-N195 PolarHBondContact O-N 3.2Å; Y191-N195 PolarHBondContact O-ND2 3.32Å; N192-N195 PolarHBondContact O-N 2.94Å; V193-N195 PolarHBondContact O-N 3.41Å
196	M	81.3	Confident	82.6	Confident	154 Å²	154	79.8 Å²	79.8	76%	0.759	41%	0.412	S	S	*	.	H	α-helix	trans	-79.1	-29.4	177.5	-67.9	179.8	-179.1	0	0	112.6	N192 V193	N192-M196 WeakPolarHBondContact O-CG 3.45Å; N192-M196 PolarHBondContact O-N 3.35Å; V193-M196 PolarHBondContact O-N 2.97Å; V193-M196 VanDerWaalsContact O-N 3.15Å
197	I	81.1	Confident	82.2	Confident	70 Å²	70	81 Å²	81	36%	0.359	42%	0.418	S	S	.	.	S	Bend	trans	-96.7	124	-177.8	-51.8	178.5	0	0	0	109	V193 R209 I213	V193-I197 HydrophobicContact CG1-CD1 4.02Å; V193-I197 PolarHBondContact O-N 2.89Å; I197-R209 HydrophobicContact CG2-CG 3.92Å; I197-R209 PolarHBondContact O-NH1 2.54Å; I197-I213 HydrophobicContact CD1-CD1 4.11Å; I197-I213 HydrophobicContact CD1-CG1 3.92Å
198	P	77.4	Confident	82	Confident	98 Å²	98	84.1 Å²	84.1	64%	0.636	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-61.5	150.2	179.6	24.2	-32.4	0	0	0	112.1	R209	P198-R209 VanDerWaalsContact O-CD 3.24Å; P198-R209 WeakPolarHBondContact O-CD 3.39Å
199	V	80.8	Confident	82	Confident	105 Å²	105	84.5 Å²	84.5	64%	0.636	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-74.2	129.9	177.3	-178.5	0	0	0	0	108.8
200	N	79.8	Confident	81.9	Confident	66 Å²	66	84.8 Å²	84.8	35%	0.353	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-90.6	140.8	175.2	-75.4	-34.7	0	0	0	110	D202 L205 E206	N200-D202 VanDerWaalsContact C-N 3.35Å; N200-L205 HydrophobicContact CB-CB 3.91Å; N200-E206 HydrophobicContact CB-CB 4.49Å; N200-E206 PolarHBondContact N-OE2 3Å; N200-E206 VanDerWaalsContact N-OE2 3.12Å
201	K	77.3	Confident	81.9	Confident	216 Å²	216	85.6 Å²	85.6	94%	0.939	44%	0.44	S	S	*	.	S	Bend	trans	-74.9	-26.8	177	-68.5	-176.8	-179.7	178.2	0	112.6	P203	K201-P203 WeakPolarHBondContact O-CD 3.26Å
202	D	85	Confident	82.1	Confident	71 Å²	71	84.2 Å²	84.2	38%	0.38	45%	0.445	S	S	.	.	S	Bend	trans	-73.7	122.9	176.4	-177.7	-28.8	0	0	0	109.9	N200 T204 L205 E206	N200-D202 VanDerWaalsContact C-N 3.35Å; D202-T204 VanDerWaalsContact C-N 3.25Å; D202-T204 PolarHBondContact O-N 3.13Å; D202-T204 PolarHBondContact OD1-N 3.34Å; D202-T204 PolarHBondContact OD1-OG1 3.14Å; D202-T204 PolarHBondContact OD2-OG1 3.46Å; D202-L205 HydrophobicContact CB-CB 4.09Å; D202-L205 HydrophobicContact CB-CD1 3.83Å; D202-L205 HydrophobicContact CB-CG 4.36Å; D202-L205 PolarHBondContact O-N 3.23Å; D202-E206 WeakPolarHBondContact O-CB 3.39Å; D202-E206 PolarHBondContact O-N 2.91Å
203	P	80.3	Confident	82.3	Confident	105 Å²	105	80.8 Å²	80.8	68%	0.682	43%	0.427	S	S	*	.	H	α-helix	trans	-54.5	-36.9	179	-26	34.5	0	0	0	114.2	K201 F207	K201-P203 WeakPolarHBondContact O-CD 3.26Å; P203-F207 WeakPolarHBondContact O-CB 3.17Å; P203-F207 PolarHBondContact O-N 3.36Å
204	T	80.9	Confident	82.5	Confident	90 Å²	90	80.2 Å²	80.2	55%	0.552	43%	0.426	S	S	*	.	H	α-helix	trans	-74.1	-40.6	-177.7	62.7	0	0	0	0	111.8	D202 F207 L208	D202-T204 VanDerWaalsContact C-N 3.25Å; D202-T204 PolarHBondContact O-N 3.13Å; D202-T204 PolarHBondContact OD1-N 3.34Å; D202-T204 PolarHBondContact OD1-OG1 3.14Å; D202-T204 PolarHBondContact OD2-OG1 3.46Å; T204-F207 WeakPolarHBondContact O-CB 3.49Å; T204-F207 PolarHBondContact O-N 3.11Å; T204-L208 WeakPolarHBondContact O-CG 3.43Å; T204-L208 PolarHBondContact O-N 2.73Å
205	L	82.9	Confident	82.9	Confident	85 Å²	85	78.8 Å²	78.8	45%	0.445	42%	0.422	S	S	.	.	H	α-helix	trans	-69.9	-38.5	174.9	-78.8	158.2	0	0	0	111.7	N200 D202 F207 L208 R209	N200-L205 HydrophobicContact CB-CB 3.91Å; D202-L205 HydrophobicContact CB-CB 4.09Å; D202-L205 HydrophobicContact CB-CD1 3.83Å; D202-L205 HydrophobicContact CB-CG 4.36Å; D202-L205 PolarHBondContact O-N 3.23Å; L205-F207 VanDerWaalsContact C-N 3.3Å; L205-L208 PolarHBondContact O-N 3.03Å; L205-R209 VanDerWaalsContact O-CB 3.24Å; L205-R209 WeakPolarHBondContact O-CB 3.48Å; L205-R209 PolarHBondContact O-N 2.95Å
206	E	82.8	Confident	83.4	Confident	23 Å²	23	78.4 Å²	78.4	11%	0.107	42%	0.419	C	S	.	.	H	α-helix	trans	-66.5	-35.3	174.6	-179.1	60.6	-167.9	0	0	111.6	N200 D202 R209 K210	N200-E206 HydrophobicContact CB-CB 4.49Å; N200-E206 PolarHBondContact N-OE2 3Å; N200-E206 VanDerWaalsContact N-OE2 3.12Å; D202-E206 WeakPolarHBondContact O-CB 3.39Å; D202-E206 PolarHBondContact O-N 2.91Å; E206-R209 IonicContact OE1-CZ 3.57Å; E206-R209 IonicContact OE1-NE 3.58Å; E206-R209 IonicContact OE1-NH2 2.71Å; E206-R209 PolarHBondContact OE1-NH2 3.5Å; E206-R209 IonicContact OE2-CZ 3.37Å; E206-R209 IonicContact OE2-NE 2.75Å; E206-R209 PolarHBondContact OE2-NE 2.95Å; E206-R209 IonicContact OE2-NH2 3.24Å; E206-R209 PolarHBondContact OE2-NH2 3.23Å; E206-K210 WeakPolarHBondContact O-CG 3.48Å; E206-K210 PolarHBondContact O-N 2.69Å; E206-K210 WeakPolarHBondContact OE1-CE 3.47Å; E206-K210 IonicContact OE1-NZ 3.69Å
207	F	80.6	Confident	83.8	Confident	80 Å²	80	71.1 Å²	71.1	35%	0.351	38%	0.384	S	S	.	.	H	α-helix	trans	-62.9	-54.8	171.6	172.2	-87.9	0	0	0	111.8	P203 T204 L205 R209 K210 F211 L285	P203-F207 WeakPolarHBondContact O-CB 3.17Å; P203-F207 PolarHBondContact O-N 3.36Å; T204-F207 WeakPolarHBondContact O-CB 3.49Å; T204-F207 PolarHBondContact O-N 3.11Å; L205-F207 VanDerWaalsContact C-N 3.3Å; F207-R209 PolarHBondContact O-N 3.44Å; F207-K210 PolarHBondContact O-N 3.37Å; F207-K210 VanDerWaalsContact O-N 3.09Å; F207-F211 WeakPolarHBondContact O-CB 3.34Å; F207-F211 PolarHBondContact O-N 2.99Å; F207-L285 HydrophobicContact CD2-CD1 4.34Å; F207-L285 HydrophobicContact CE2-CD1 3.33Å; F207-L285 HydrophobicContact CE2-CD2 3.47Å; F207-L285 VanDerWaalsContact CE2-CD2 3.47Å; F207-L285 HydrophobicContact CE2-CG 3.97Å; F207-L285 HydrophobicContact CZ-CD1 3.94Å; F207-L285 HydrophobicContact CZ-CD2 3.69Å; F207-L285 HydrophobicContact CZ-CG 4.38Å
208	L	83.6	Confident	84.3	Confident	106 Å²	106	67.9 Å²	67.9	56%	0.555	37%	0.367	S	S	*	.	H	α-helix	trans	-59.7	-36.7	179.7	-74.2	174.6	0	0	0	111.3	T204 L205 G212	T204-L208 WeakPolarHBondContact O-CG 3.43Å; T204-L208 PolarHBondContact O-N 2.73Å; L205-L208 PolarHBondContact O-N 3.03Å; L208-G212 PolarHBondContact O-N 3.49Å
209	R	85.6	Confident	85	Confident	19 Å²	19	65.3 Å²	65.3	7%	0.072	35%	0.35	C	S	.	.	H	α-helix	trans	-59.1	-54.5	172.1	-172.6	-176.3	79.7	104.7	0.4	111.4	K194 I197 P198 L205 E206 F207 F211 G212 I213	K194-R209 PolarHBondContact O-NH1 3.06Å; I197-R209 HydrophobicContact CG2-CG 3.92Å; I197-R209 PolarHBondContact O-NH1 2.54Å; P198-R209 VanDerWaalsContact O-CD 3.24Å; P198-R209 WeakPolarHBondContact O-CD 3.39Å; L205-R209 VanDerWaalsContact O-CB 3.24Å; L205-R209 WeakPolarHBondContact O-CB 3.48Å; L205-R209 PolarHBondContact O-N 2.95Å; E206-R209 IonicContact OE1-CZ 3.57Å; E206-R209 IonicContact OE1-NE 3.58Å; E206-R209 IonicContact OE1-NH2 2.71Å; E206-R209 PolarHBondContact OE1-NH2 3.5Å; E206-R209 IonicContact OE2-CZ 3.37Å; E206-R209 IonicContact OE2-NE 2.75Å; E206-R209 PolarHBondContact OE2-NE 2.95Å; E206-R209 IonicContact OE2-NH2 3.24Å; E206-R209 PolarHBondContact OE2-NH2 3.23Å; F207-R209 PolarHBondContact O-N 3.44Å; R209-F211 VanDerWaalsContact C-N 3.34Å; R209-F211 PolarHBondContact O-N 3.11Å; R209-G212 PolarHBondContact O-N 3.12Å; R209-I213 HydrophobicContact CG-CD1 3.8Å; R209-I213 WeakPolarHBondContact O-CB 3.44Å; R209-I213 WeakPolarHBondContact O-CD1 3.41Å; R209-I213 WeakPolarHBondContact O-CG1 3.5Å; R209-I213 PolarHBondContact O-N 3.32Å
210	K	84.8	Confident	85.6	Confident	93 Å²	93	62.8 Å²	62.8	40%	0.404	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-41.6	179.2	-74.2	172	-176.1	162.6	0	112.2	E206 F207 G214	E206-K210 WeakPolarHBondContact O-CG 3.48Å; E206-K210 PolarHBondContact O-N 2.69Å; E206-K210 WeakPolarHBondContact OE1-CE 3.47Å; E206-K210 IonicContact OE1-NZ 3.69Å; F207-K210 PolarHBondContact O-N 3.37Å; F207-K210 VanDerWaalsContact O-N 3.09Å; K210-G214 PolarHBondContact O-N 3.21Å
211	F	85.3	Confident	86.1	Confident	69 Å²	69	59.6 Å²	59.6	30%	0.303	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-47.9	176.7	-179	-102.9	0	0	0	111.5	F207 R209 G214 L215	F207-F211 WeakPolarHBondContact O-CB 3.34Å; F207-F211 PolarHBondContact O-N 2.99Å; R209-F211 VanDerWaalsContact C-N 3.34Å; R209-F211 PolarHBondContact O-N 3.11Å; F211-G214 PolarHBondContact O-N 3.39Å; F211-L215 HydrophobicContact CD1-CD1 3.81Å; F211-L215 HydrophobicContact CD1-CG 4.41Å; F211-L215 HydrophobicContact CE1-CD1 3.25Å; F211-L215 HydrophobicContact CE1-CG 4.06Å; F211-L215 HydrophobicContact CE2-CD1 4.47Å; F211-L215 HydrophobicContact CE2-CG 4.49Å; F211-L215 HydrophobicContact CZ-CD1 3.64Å; F211-L215 HydrophobicContact CZ-CG 4.09Å; F211-L215 WeakPolarHBondContact O-CB 3.32Å; F211-L215 PolarHBondContact O-N 2.82Å
212	G	87.8	Confident	86.8	Confident	35 Å²	35	49.3 Å²	49.3	36%	0.361	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-43.6	177	0	0	0	0	0	113.1	L208 R209 G214 L215 L216	L208-G212 PolarHBondContact O-N 3.49Å; R209-G212 PolarHBondContact O-N 3.12Å; G212-G214 VanDerWaalsContact C-N 3.35Å; G212-G214 PolarHBondContact O-N 2.9Å; G212-L215 PolarHBondContact O-N 3.04Å; G212-L216 WeakPolarHBondContact O-CB 3.29Å; G212-L216 PolarHBondContact O-N 3.23Å
213	I	88.3	Confident	87.2	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-43.7	174.8	-64.1	164.4	0	0	0	110.6	Y190 V193 K194 I197 R209 L216 S217	Y190-I213 HydrophobicContact CD2-CG2 3.7Å; Y190-I213 HydrophobicContact CE2-CB 4.4Å; Y190-I213 HydrophobicContact CE2-CG2 3.89Å; Y190-I213 HydrophobicContact CG-CG2 4.3Å; V193-I213 HydrophobicContact CB-CG2 4Å; V193-I213 HydrophobicContact CG1-CB 4.43Å; V193-I213 HydrophobicContact CG1-CG1 3.94Å; V193-I213 HydrophobicContact CG1-CG2 3.91Å; K194-I213 HydrophobicContact CB-CD1 4.41Å; I197-I213 HydrophobicContact CD1-CD1 4.11Å; I197-I213 HydrophobicContact CD1-CG1 3.92Å; R209-I213 HydrophobicContact CG-CD1 3.8Å; R209-I213 WeakPolarHBondContact O-CB 3.44Å; R209-I213 WeakPolarHBondContact O-CD1 3.41Å; R209-I213 WeakPolarHBondContact O-CG1 3.5Å; R209-I213 PolarHBondContact O-N 3.32Å; I213-L216 PolarHBondContact O-N 3Å; I213-S217 VanDerWaalsContact O-CB 3.25Å; I213-S217 WeakPolarHBondContact O-CB 3.37Å; I213-S217 PolarHBondContact O-N 3.37Å; I213-S217 PolarHBondContact O-OG 2.88Å
214	G	88.1	Confident	87.9	Confident	14 Å²	14	47.1 Å²	47.1	14%	0.144	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-43.4	176.6	0	0	0	0	0	112.4	K210 F211 G212 G218	K210-G214 PolarHBondContact O-N 3.21Å; F211-G214 PolarHBondContact O-N 3.39Å; G212-G214 VanDerWaalsContact C-N 3.35Å; G212-G214 PolarHBondContact O-N 2.9Å; G214-G218 WeakPolarHBondContact O-CA 2.98Å; G214-G218 PolarHBondContact O-N 3.45Å
215	L	89.1	Confident	88.5	Confident	53 Å²	53	43 Å²	43	28%	0.277	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-47.6	175.3	-85.7	-178.4	0	0	0	112.6	F211 G212 G218 T219 L277	F211-L215 HydrophobicContact CD1-CD1 3.81Å; F211-L215 HydrophobicContact CD1-CG 4.41Å; F211-L215 HydrophobicContact CE1-CD1 3.25Å; F211-L215 HydrophobicContact CE1-CG 4.06Å; F211-L215 HydrophobicContact CE2-CD1 4.47Å; F211-L215 HydrophobicContact CE2-CG 4.49Å; F211-L215 HydrophobicContact CZ-CD1 3.64Å; F211-L215 HydrophobicContact CZ-CG 4.09Å; F211-L215 WeakPolarHBondContact O-CB 3.32Å; F211-L215 PolarHBondContact O-N 2.82Å; G212-L215 PolarHBondContact O-N 3.04Å; L215-G218 PolarHBondContact O-N 3.27Å; L215-T219 WeakPolarHBondContact O-CB 3.16Å; L215-T219 PolarHBondContact O-N 3.31Å; L215-T219 PolarHBondContact O-OG1 3.26Å; L215-L277 HydrophobicContact CD2-CB 4.15Å
216	L	89.8	Confident	89	Confident	90 Å²	90	39 Å²	39	47%	0.471	21%	0.208	S	C	.	.	H	α-helix	trans	-63.6	-49.2	179.1	-179.3	61.9	0	0	0	111	G212 I213 G218 T219 I220	G212-L216 WeakPolarHBondContact O-CB 3.29Å; G212-L216 PolarHBondContact O-N 3.23Å; I213-L216 PolarHBondContact O-N 3Å; L216-G218 VanDerWaalsContact C-N 3.32Å; L216-G218 PolarHBondContact O-N 3.08Å; L216-T219 PolarHBondContact O-N 3.44Å; L216-I220 HydrophobicContact CD1-CD1 4.21Å; L216-I220 HydrophobicContact CG-CD1 4.2Å; L216-I220 WeakPolarHBondContact O-CG1 3.49Å; L216-I220 PolarHBondContact O-N 3.01Å
217	S	89.7	Confident	89.5	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-41.8	178.2	-54.5	0	0	0	0	111.2	Y190 I213 A221	Y190-S217 WeakPolarHBondContact CA-OG 3.47Å; Y190-S217 PolarHBondContact N-OG 3.3Å; I213-S217 VanDerWaalsContact O-CB 3.25Å; I213-S217 WeakPolarHBondContact O-CB 3.37Å; I213-S217 PolarHBondContact O-N 3.37Å; I213-S217 PolarHBondContact O-OG 2.88Å; S217-A221 WeakPolarHBondContact O-CB 3.46Å; S217-A221 PolarHBondContact O-N 2.93Å
218	G	90.5	Very high	90.2	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-35.3	176.2	0	0	0	0	0	113.2	G214 L215 L216 S222	G214-G218 WeakPolarHBondContact O-CA 2.98Å; G214-G218 PolarHBondContact O-N 3.45Å; L215-G218 PolarHBondContact O-N 3.27Å; L216-G218 VanDerWaalsContact C-N 3.32Å; L216-G218 PolarHBondContact O-N 3.08Å; G218-S222 WeakPolarHBondContact O-CB 3.5Å; G218-S222 PolarHBondContact O-N 3.43Å; G218-S222 PolarHBondContact O-OG 2.9Å
219	T	92.3	Very high	90.6	Very high	44 Å²	44	31 Å²	31	27%	0.27	17%	0.17	S	C	.	.	H	α-helix	trans	-69.6	-49.1	177.1	-59.5	0	0	0	0	110.8	L215 L216 A221 S222 V223 I274	L215-T219 WeakPolarHBondContact O-CB 3.16Å; L215-T219 PolarHBondContact O-N 3.31Å; L215-T219 PolarHBondContact O-OG1 3.26Å; L216-T219 PolarHBondContact O-N 3.44Å; T219-A221 PolarHBondContact O-N 3.45Å; T219-S222 WeakPolarHBondContact O-CA 3.33Å; T219-S222 WeakPolarHBondContact O-CB 3.19Å; T219-S222 PolarHBondContact O-N 3.44Å; T219-V223 WeakPolarHBondContact O-CG2 3.08Å; T219-V223 PolarHBondContact O-N 3.43Å; T219-I274 HydrophobicContact CG2-CD1 4.08Å; T219-I274 HydrophobicContact CG2-CG1 4.41Å
220	I	92.4	Very high	91	Very high	52 Å²	52	30.1 Å²	30.1	27%	0.267	17%	0.166	S	C	.	.	H	α-helix	trans	-60.5	-47.9	176.6	-65.4	169.1	0	0	0	110.4	V185 F189 L216 S222 V223 I224	V185-I220 HydrophobicContact CG1-CG2 4.25Å; F189-I220 HydrophobicContact CD1-CD1 4.02Å; F189-I220 HydrophobicContact CD2-CG2 4.22Å; F189-I220 HydrophobicContact CE1-CD1 4.09Å; F189-I220 HydrophobicContact CE1-CG2 4.33Å; F189-I220 HydrophobicContact CE2-CG2 3.97Å; F189-I220 HydrophobicContact CZ-CG2 4.02Å; L216-I220 HydrophobicContact CD1-CD1 4.21Å; L216-I220 HydrophobicContact CG-CD1 4.2Å; L216-I220 WeakPolarHBondContact O-CG1 3.49Å; L216-I220 PolarHBondContact O-N 3.01Å; I220-S222 PolarHBondContact O-N 2.94Å; I220-V223 PolarHBondContact O-N 2.79Å; I220-I224 HydrophobicContact CG2-CD1 4.35Å; I220-I224 PolarHBondContact O-N 2.87Å; I220-I224 VanDerWaalsContact O-N 3.12Å
221	A	91.9	Very high	91.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-37.1	174.9	0	0	0	0	0	111.6	F182 V185 S217 T219 N225	F182-A221 HydrophobicContact CD2-CB 3.72Å; F182-A221 HydrophobicContact CE2-CB 3.73Å; F182-A221 HydrophobicContact CG-CB 4.47Å; F182-A221 HydrophobicContact CZ-CB 4.47Å; V185-A221 HydrophobicContact CB-CB 4.13Å; V185-A221 HydrophobicContact CG1-CB 3.9Å; S217-A221 WeakPolarHBondContact O-CB 3.46Å; S217-A221 PolarHBondContact O-N 2.93Å; T219-A221 PolarHBondContact O-N 3.45Å; A221-N225 WeakPolarHBondContact O-CB 3.38Å; A221-N225 PolarHBondContact O-N 3.46Å
222	S	92.1	Very high	91.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-39.1	178.1	-70.2	0	0	0	0	113.5	G218 T219 I220 N225 I226 K273	G218-S222 WeakPolarHBondContact O-CB 3.5Å; G218-S222 PolarHBondContact O-N 3.43Å; G218-S222 PolarHBondContact O-OG 2.9Å; T219-S222 WeakPolarHBondContact O-CA 3.33Å; T219-S222 WeakPolarHBondContact O-CB 3.19Å; T219-S222 PolarHBondContact O-N 3.44Å; I220-S222 PolarHBondContact O-N 2.94Å; S222-N225 PolarHBondContact O-N 2.91Å; S222-I226 WeakPolarHBondContact O-CB 3.18Å; S222-I226 PolarHBondContact O-N 3.31Å; S222-K273 VanDerWaalsContact OG-CE 3.29Å; S222-K273 WeakPolarHBondContact OG-CE 3.36Å
223	V	93.7	Very high	92	Very high	54 Å²	54	21.1 Å²	21.1	33%	0.327	12%	0.117	S	C	.	.	H	α-helix	trans	-63.6	-46.7	176.3	172	0	0	0	0	110.5	T219 I220 N225 Y267 L270	T219-V223 WeakPolarHBondContact O-CG2 3.08Å; T219-V223 PolarHBondContact O-N 3.43Å; I220-V223 PolarHBondContact O-N 2.79Å; V223-N225 VanDerWaalsContact C-N 3.29Å; V223-N225 PolarHBondContact O-N 2.91Å; V223-Y267 HydrophobicContact CG1-CE1 4.16Å; V223-L270 HydrophobicContact CG2-CD1 4.17Å; V223-L270 HydrophobicContact CG2-CD2 4.29Å
224	I	93.4	Very high	92.1	Very high	76 Å²	76	21 Å²	21	39%	0.39	12%	0.116	S	C	.	.	H	α-helix	trans	-67.6	-34	177.9	-63.1	179.7	0	0	0	111.1	V181 V185 I220 P227	V181-I224 HydrophobicContact CG1-CG2 3.79Å; V185-I224 HydrophobicContact CG1-CD1 3.99Å; V185-I224 HydrophobicContact CG2-CD1 4.13Å; V185-I224 HydrophobicContact CG2-CG2 4.28Å; I220-I224 HydrophobicContact CG2-CD1 4.35Å; I220-I224 PolarHBondContact O-N 2.87Å; I220-I224 VanDerWaalsContact O-N 3.12Å; I224-P227 WeakPolarHBondContact O-CD 3.19Å
225	N	93.9	Very high	92.3	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-86.7	-14.2	-173.4	-167.5	61.5	0	0	0	115	R178 F182 A221 S222 V223 P227 F228 D229 K273	R178-N225 VanDerWaalsContact CA-OD1 3.24Å; R178-N225 WeakPolarHBondContact CA-OD1 3.45Å; R178-N225 PolarHBondContact O-ND2 3.46Å; R178-N225 PolarHBondContact O-OD1 3.17Å; F182-N225 HydrophobicContact CB-CB 4.23Å; F182-N225 HydrophobicContact CD2-CB 4.25Å; A221-N225 WeakPolarHBondContact O-CB 3.38Å; A221-N225 PolarHBondContact O-N 3.46Å; S222-N225 PolarHBondContact O-N 2.91Å; V223-N225 VanDerWaalsContact C-N 3.29Å; V223-N225 PolarHBondContact O-N 2.91Å; N225-P227 VanDerWaalsContact C-CD 3.42Å; N225-F228 PolarHBondContact O-N 3.37Å; N225-D229 PolarHBondContact ND2-OD1 3.4Å; N225-D229 VanDerWaalsContact ND2-OD1 3.17Å; N225-D229 PolarHBondContact O-N 2.67Å; N225-K273 PolarHBondContact ND2-NZ 2.92Å
226	I	93.4	Very high	92.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-34.7	-174.3	-158.8	72.5	0	0	0	114.2	S222 F228 D229 V230 L266 Y267 L270 K273	S222-I226 WeakPolarHBondContact O-CB 3.18Å; S222-I226 PolarHBondContact O-N 3.31Å; I226-F228 VanDerWaalsContact C-N 3.27Å; I226-F228 PolarHBondContact O-N 3.19Å; I226-D229 HydrophobicContact CD1-CB 4.18Å; I226-D229 WeakPolarHBondContact O-CA 3.24Å; I226-D229 WeakPolarHBondContact O-CB 3.21Å; I226-D229 PolarHBondContact O-N 3.39Å; I226-V230 PolarHBondContact O-N 2.97Å; I226-L266 CarbonylContact C-O 3.56Å; I226-Y267 HydrophobicContact CG2-CD1 3.22Å; I226-Y267 HydrophobicContact CG2-CE1 3.57Å; I226-Y267 HydrophobicContact CG2-CG 3.79Å; I226-L270 HydrophobicContact CB-CD1 4.3Å; I226-L270 HydrophobicContact CD1-CB 4.42Å; I226-L270 HydrophobicContact CG1-CB 4.17Å; I226-L270 HydrophobicContact CG1-CD1 4.49Å; I226-L270 HydrophobicContact CG2-CD1 4.47Å; I226-K273 HydrophobicContact CD1-CD 3.81Å
227	P	94.4	Very high	92.2	Very high	13 Å²	13	13.9 Å²	13.9	8%	0.084	8%	0.077	C	C	.	.	H	α-helix	trans	-62.8	-35.3	177.3	-23.4	37.1	0	0	0	112.5	I224 N225 V230 A231 M254 L266	I224-P227 WeakPolarHBondContact O-CD 3.19Å; N225-P227 VanDerWaalsContact C-CD 3.42Å; P227-V230 PolarHBondContact O-N 3.15Å; P227-A231 WeakPolarHBondContact O-CB 3.35Å; P227-A231 PolarHBondContact O-N 2.92Å; P227-M254 HydrophobicContact CB-CE 3.63Å; P227-L266 HydrophobicContact CB-CB 4.23Å; P227-L266 HydrophobicContact CB-CD2 4.4Å; P227-L266 HydrophobicContact CG-CB 4.45Å
228	F	94.6	Very high	91.9	Very high	30 Å²	30	17.1 Å²	17.1	13%	0.132	10%	0.098	C	C	.	.	H	α-helix	trans	-67.3	-38.1	173.4	-63.9	-85.3	0	0	0	111.7	R178 V181 N225 I226 A231 K232 C250 F251 M254	R178-F228 HydrophobicContact CB-CB 4.2Å; V181-F228 HydrophobicContact CB-CE2 4.32Å; V181-F228 HydrophobicContact CG1-CE2 4.22Å; V181-F228 HydrophobicContact CG2-CE2 3.94Å; V181-F228 HydrophobicContact CG2-CZ 3.94Å; N225-F228 PolarHBondContact O-N 3.37Å; I226-F228 VanDerWaalsContact C-N 3.27Å; I226-F228 PolarHBondContact O-N 3.19Å; F228-A231 PolarHBondContact O-N 3.21Å; F228-K232 WeakPolarHBondContact O-CB 3.08Å; F228-K232 PolarHBondContact O-N 3.35Å; F228-C250 VanDerWaalsContact CD1-SG 3.54Å; F228-F251 HydrophobicContact CE1-CE1 4.32Å; F228-M254 HydrophobicContact CD1-SD 4.4Å; F228-M254 HydrophobicContact CE1-SD 4.38Å
229	D	92.5	Very high	91.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.6	-43.4	174.5	-71.8	-6.9	0	0	0	111.5	K38 Q42 R178 N225 I226 K232 S233 K273	K38-D229 IonicContact NZ-OD2 3.76Å; K38-D229 PolarHBondContact NZ-OD2 3.27Å; Q42-D229 VanDerWaalsContact NE2-CB 3.29Å; R178-D229 VanDerWaalsContact CD-OD1 3.24Å; R178-D229 WeakPolarHBondContact CD-OD1 3.32Å; R178-D229 VanDerWaalsContact CG-OD1 3.24Å; R178-D229 WeakPolarHBondContact CG-OD1 3.17Å; R178-D229 IonicContact CZ-OD1 2.79Å; R178-D229 IonicContact NE-OD1 3.83Å; R178-D229 IonicContact NH1-OD1 3.53Å; R178-D229 PolarHBondContact NH1-OD1 3.18Å; R178-D229 IonicContact NH1-OD2 2.81Å; R178-D229 PolarHBondContact NH1-OD2 2.92Å; N225-D229 PolarHBondContact ND2-OD1 3.4Å; N225-D229 VanDerWaalsContact ND2-OD1 3.17Å; N225-D229 PolarHBondContact O-N 2.67Å; I226-D229 HydrophobicContact CD1-CB 4.18Å; I226-D229 WeakPolarHBondContact O-CA 3.24Å; I226-D229 WeakPolarHBondContact O-CB 3.21Å; I226-D229 PolarHBondContact O-N 3.39Å; D229-K232 PolarHBondContact O-N 3.1Å; D229-S233 WeakPolarHBondContact O-CB 3.29Å; D229-S233 PolarHBondContact O-N 3.03Å; D229-S233 PolarHBondContact O-OG 3.43Å; D229-K273 IonicContact OD1-NZ 3.52Å; D229-K273 WeakPolarHBondContact OD2-CE 3.49Å; D229-K273 IonicContact OD2-NZ 3.42Å; D229-K273 PolarHBondContact OD2-NZ 3.21Å
230	V	92.6	Very high	91	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-48	177.4	172.7	0	0	0	0	110.7	Q42 I226 P227 K232 S233 R234 L266 K268	Q42-V230 HydrophobicContact CB-CG2 4.5Å; Q42-V230 HydrophobicContact CG-CG2 4.07Å; I226-V230 PolarHBondContact O-N 2.97Å; P227-V230 PolarHBondContact O-N 3.15Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 3.26Å; V230-S233 PolarHBondContact O-N 3.37Å; V230-R234 HydrophobicContact CG1-CG 4.47Å; V230-R234 WeakPolarHBondContact O-CB 3.3Å; V230-R234 WeakPolarHBondContact O-CG 3.3Å; V230-R234 PolarHBondContact O-N 2.84Å; V230-L266 HydrophobicContact CG1-CD2 4.5Å; V230-L266 VanDerWaalsContact CG2-O 3.24Å; V230-L266 WeakPolarHBondContact CG2-O 3.44Å; V230-K268 HydrophobicContact CG2-CB 4.48Å
231	A	93.3	Very high	90.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.6	-46	177.5	0	0	0	0	0	111.5	A174 P227 F228 R234 I235 T253 M254	A174-A231 HydrophobicContact CB-CB 4.41Å; P227-A231 WeakPolarHBondContact O-CB 3.35Å; P227-A231 PolarHBondContact O-N 2.92Å; F228-A231 PolarHBondContact O-N 3.21Å; A231-R234 PolarHBondContact O-N 2.91Å; A231-I235 WeakPolarHBondContact O-CD1 3.4Å; A231-I235 WeakPolarHBondContact O-CG1 3.31Å; A231-I235 PolarHBondContact O-N 3.29Å; A231-T253 HydrophobicContact CB-CG2 4.05Å; A231-M254 HydrophobicContact CB-CG 3.74Å
232	K	94.1	Very high	89.4	Confident	7 Å²	7	26.6 Å²	26.6	3%	0.03	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-50.3	177.3	179.4	-117.7	153.6	167.4	0	111.9	E131 A174 F228 D229 V230 R234 I235 Q236	E131-K232 WeakPolarHBondContact OE2-CE 3.22Å; E131-K232 IonicContact OE2-NZ 2.63Å; E131-K232 PolarHBondContact OE2-NZ 2.86Å; A174-K232 HydrophobicContact CB-CB 3.66Å; A174-K232 HydrophobicContact CB-CG 4.38Å; F228-K232 WeakPolarHBondContact O-CB 3.08Å; F228-K232 PolarHBondContact O-N 3.35Å; D229-K232 PolarHBondContact O-N 3.1Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 3.26Å; K232-R234 VanDerWaalsContact C-N 3.3Å; K232-R234 PolarHBondContact O-N 3.26Å; K232-I235 PolarHBondContact O-N 3.43Å; K232-Q236 HydrophobicContact CG-CG 4.49Å; K232-Q236 WeakPolarHBondContact O-CB 3.47Å; K232-Q236 WeakPolarHBondContact O-CG 3.17Å; K232-Q236 PolarHBondContact O-N 2.86Å
233	S	92.1	Very high	88.4	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-35.8	179.3	-69.5	0	0	0	0	112.4	Q42 D229 V230 G237	Q42-S233 PolarHBondContact OE1-OG 2.8Å; D229-S233 WeakPolarHBondContact O-CB 3.29Å; D229-S233 PolarHBondContact O-N 3.03Å; D229-S233 PolarHBondContact O-OG 3.43Å; V230-S233 PolarHBondContact O-N 3.37Å; S233-G237 WeakPolarHBondContact O-CA 3.35Å; S233-G237 PolarHBondContact O-N 2.74Å
234	R	90.8	Very high	87.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-75.1	-33.5	177.5	-71.2	-179.6	178.7	-146	-2.7	114.3	Q42 Q44 V230 A231 K232 Y247 T253 E261	Q42-R234 WeakPolarHBondContact O-CG 3.39Å; Q42-R234 PolarHBondContact O-NE 3Å; Q44-R234 PolarHBondContact O-NH2 2.83Å; V230-R234 HydrophobicContact CG1-CG 4.47Å; V230-R234 WeakPolarHBondContact O-CB 3.3Å; V230-R234 WeakPolarHBondContact O-CG 3.3Å; V230-R234 PolarHBondContact O-N 2.84Å; A231-R234 PolarHBondContact O-N 2.91Å; K232-R234 VanDerWaalsContact C-N 3.3Å; K232-R234 PolarHBondContact O-N 3.26Å; R234-Y247 HydrophobicContact CB-CD2 4.12Å; R234-Y247 HydrophobicContact CB-CE2 4.38Å; R234-Y247 HydrophobicContact CB-CG 4.33Å; R234-T253 HydrophobicContact CB-CG2 4.29Å; R234-E261 IonicContact CZ-OE1 2.67Å; R234-E261 IonicContact CZ-OE2 2.87Å; R234-E261 IonicContact NH1-OE1 3.66Å; R234-E261 PolarHBondContact NH1-OE1 2.95Å; R234-E261 IonicContact NH1-OE2 3.98Å; R234-E261 IonicContact NH2-OE1 2.68Å; R234-E261 PolarHBondContact NH2-OE1 3.2Å; R234-E261 IonicContact NH2-OE2 3.67Å; R234-E261 PolarHBondContact NH2-OE2 2.83Å
235	I	91.3	Very high	87.3	Confident	6 Å²	6	35 Å²	35	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-73.4	-43	175.2	-64.6	161.1	0	0	0	110.5	G171 A174 A231 K232 Q239 T253	G171-I235 VanDerWaalsContact CA-CG2 3.49Å; A174-I235 HydrophobicContact CB-CD1 4Å; A231-I235 WeakPolarHBondContact O-CD1 3.4Å; A231-I235 WeakPolarHBondContact O-CG1 3.31Å; A231-I235 PolarHBondContact O-N 3.29Å; K232-I235 PolarHBondContact O-N 3.43Å; I235-Q239 PolarHBondContact O-NE2 3.07Å; I235-T253 HydrophobicContact CD1-CG2 4.46Å; I235-T253 HydrophobicContact CG1-CG2 4.2Å; I235-T253 WeakPolarHBondContact CG1-OG1 3.37Å
236	Q	90.5	Very high	86.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-81	-27	-177.2	-65.1	-171.3	-7.9	0	0	113.5	N128 E131 V132 V135 K170 T175 K232	N128-Q236 PolarHBondContact OD1-NE2 3.12Å; E131-Q236 PolarHBondContact O-OE1 3.15Å; V132-Q236 HydrophobicContact CG2-CG 3.9Å; V135-Q236 HydrophobicContact CB-CB 4.07Å; V135-Q236 HydrophobicContact CG1-CB 3.9Å; V135-Q236 HydrophobicContact CG2-CB 4.47Å; K170-Q236 VanDerWaalsContact CE-O 3.25Å; K170-Q236 WeakPolarHBondContact CE-O 3.41Å; K170-Q236 HydrophobicContact CG-CG 4.35Å; K170-Q236 PolarHBondContact NZ-O 3.48Å; K170-Q236 WeakPolarHBondContact O-CG 3.38Å; K170-Q236 PolarHBondContact O-NE2 3.22Å; T175-Q236 PolarHBondContact OG1-NE2 3Å; K232-Q236 HydrophobicContact CG-CG 4.49Å; K232-Q236 WeakPolarHBondContact O-CB 3.47Å; K232-Q236 WeakPolarHBondContact O-CG 3.17Å; K232-Q236 PolarHBondContact O-N 2.86Å
237	G	87.3	Confident	86.5	Confident	3 Å²	3	39 Å²	39	3%	0.031	23%	0.233	C	C	.	.	S	Bend	trans	-71.9	178.9	174.3	0	0	0	0	0	113.8	S233	S233-G237 WeakPolarHBondContact O-CA 3.35Å; S233-G237 PolarHBondContact O-N 2.74Å
238	P	84	Confident	85.9	Confident	69 Å²	69	45.1 Å²	45.1	45%	0.448	26%	0.255	S	S	.	.			trans	-63.5	135.5	178.7	26.2	-33.6	0	0	0	110.7	I43 R45 A139	I43-P238 HydrophobicContact CG2-CG 4.38Å; R45-P238 PolarHBondContact NH1-O 3.34Å; R45-P238 PolarHBondContact NH2-O 2.94Å; A139-P238 HydrophobicContact CB-CG 4.25Å
239	Q	84.6	Confident	85.6	Confident	49 Å²	49	47 Å²	47	23%	0.229	27%	0.269	C	S	.	.			trans	-68.9	156.9	175.2	-64.5	-59.6	-52.9	0	0	111.3	I235 Y247	I235-Q239 PolarHBondContact O-NE2 3.07Å; Q239-Y247 VanDerWaalsContact OE1-N 3.08Å
240	P	78	Confident	85.4	Confident	50 Å²	50	47.1 Å²	47.1	33%	0.325	27%	0.27	S	S	.	.	S	Bend	trans	-65.8	-39.9	-178.6	-10.6	21.3	0	0	0	113.6	R45 K246 Y247	R45-P240 VanDerWaalsContact CZ-CG 3.49Å; P240-K246 HydrophobicContact CG-CB 4.2Å; P240-K246 HydrophobicContact CG-CD 3.71Å; P240-Y247 HydrophobicContact CG-CE2 3.97Å
241	V	75.8	Confident	85.4	Confident	71 Å²	71	54.3 Å²	54.3	43%	0.43	30%	0.302	S	S	.	.	S	Bend	trans	-115.6	124.2	179.6	180	0	0	0	0	107.9	G243 E244	V241-G243 PolarHBondContact O-N 3.2Å; V241-E244 HydrophobicContact CB-CB 4.2Å; V241-E244 HydrophobicContact CG1-CB 4.38Å; V241-E244 HydrophobicContact CG1-CG 4.23Å; V241-E244 PolarHBondContact O-N 3.43Å
242	P	74.1	Confident	85.4	Confident	127 Å²	127	60.8 Å²	60.8	83%	0.825	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	125.6	175	-23.9	34	0	0	0	110.9
243	G	72	Confident	85.2	Confident	86 Å²	86	60.4 Å²	60.4	89%	0.887	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-16.7	179.5	0	0	0	0	0	115.3	V241	V241-G243 PolarHBondContact O-N 3.2Å
244	E	81.9	Confident	85.2	Confident	132 Å²	132	62 Å²	62	62%	0.617	34%	0.336	S	S	*	.			trans	-105.8	126.6	176.7	-66.1	-169.5	166.6	0	0	112.4	V241 K246	V241-E244 HydrophobicContact CB-CB 4.2Å; V241-E244 HydrophobicContact CG1-CB 4.38Å; V241-E244 HydrophobicContact CG1-CG 4.23Å; V241-E244 PolarHBondContact O-N 3.43Å; E244-K246 PolarHBondContact O-N 2.84Å
245	I	81.8	Confident	85.3	Confident	88 Å²	88	64.1 Å²	64.1	45%	0.451	35%	0.353	S	S	.	.			trans	-91.7	87.9	179.3	-44.4	177	0	0	0	109.7	R248	I245-R248 HydrophobicContact CB-CG 4.13Å; I245-R248 HydrophobicContact CG2-CG 3.38Å
246	K	84.8	Confident	85.3	Confident	83 Å²	83	64.9 Å²	64.9	36%	0.361	36%	0.358	S	S	.	.			trans	-68.7	-46.1	175.3	-170.8	175.1	-170.6	175.6	0	112	P240 E244 E260	P240-K246 HydrophobicContact CG-CB 4.2Å; P240-K246 HydrophobicContact CG-CD 3.71Å; E244-K246 PolarHBondContact O-N 2.84Å; K246-E260 WeakPolarHBondContact CE-OE1 3.24Å; K246-E260 WeakPolarHBondContact CE-OE2 3.4Å; K246-E260 IonicContact NZ-OE1 3.08Å; K246-E260 PolarHBondContact NZ-OE1 2.87Å; K246-E260 IonicContact NZ-OE2 2.79Å; K246-E260 PolarHBondContact NZ-OE2 3.22Å
247	Y	85.4	Confident	85.3	Confident	3 Å²	3	64.9 Å²	64.9	1%	0.012	36%	0.358	C	S	.	.			trans	-107.2	110.6	-175.3	-55.3	-61.7	0	0	0	110.9	R234 Q239 P240 T253 T256	R234-Y247 HydrophobicContact CB-CD2 4.12Å; R234-Y247 HydrophobicContact CB-CE2 4.38Å; R234-Y247 HydrophobicContact CB-CG 4.33Å; Q239-Y247 VanDerWaalsContact OE1-N 3.08Å; P240-Y247 HydrophobicContact CG-CE2 3.97Å; Y247-T253 HydrophobicContact CD1-CG2 3.47Å; Y247-T253 VanDerWaalsContact CD1-CG2 3.47Å; Y247-T253 HydrophobicContact CE1-CG2 4.16Å; Y247-T253 HydrophobicContact CG-CG2 3.98Å; Y247-T256 HydrophobicContact CE1-CG2 3.94Å
248	R	81.8	Confident	85.5	Confident	142 Å²	142	71.3 Å²	71.3	54%	0.536	38%	0.382	S	S	.	.			trans	-115.6	-58.4	-177.8	-67.8	-176	104.3	179	5.3	113.2	I245	I245-R248 HydrophobicContact CB-CG 4.13Å; I245-R248 HydrophobicContact CG2-CG 3.38Å
249	T	88.1	Confident	85.8	Confident	69 Å²	69	75.4 Å²	75.4	42%	0.423	40%	0.396	S	S	.	.	S	Bend	trans	-111.1	152.9	-174.6	59.5	0	0	0	0	110.8	K252 T253	T249-K252 WeakPolarHBondContact OG1-CB 3.42Å; T249-T253 WeakPolarHBondContact O-CB 3.44Å; T249-T253 PolarHBondContact O-N 3.43Å; T249-T253 PolarHBondContact O-OG1 3.5Å
250	C	90.1	Very high	86	Confident	4 Å²	4	77.6 Å²	77.6	3%	0.027	41%	0.406	C	S	.	.	H	α-helix	trans	-54.4	-60.2	-176.3	-170.8	0	0	0	0	112.5	T173 A174 F228 K252 T253 M254	T173-C250 PolarHBondContact OG1-N 3.2Å; A174-C250 HydrophobicContact CB-CB 3.91Å; F228-C250 VanDerWaalsContact CD1-SG 3.54Å; C250-K252 PolarHBondContact O-N 3.48Å; C250-T253 WeakPolarHBondContact O-CB 3.35Å; C250-T253 PolarHBondContact O-N 2.94Å; C250-M254 VanDerWaalsContact O-CG 3.32Å; C250-M254 WeakPolarHBondContact O-CG 3.46Å; C250-M254 PolarHBondContact O-N 3.02Å
251	F	92.5	Very high	86.5	Confident	151 Å²	151	76.9 Å²	76.9	66%	0.662	40%	0.398	S	S	*	.	H	α-helix	trans	-66.6	-38.8	-174.9	-62.5	-67.6	0	0	0	113.3	F228 T253 M254 A255	F228-F251 HydrophobicContact CE1-CE1 4.32Å; F251-T253 VanDerWaalsContact C-N 3.34Å; F251-T253 PolarHBondContact O-N 2.94Å; F251-M254 HydrophobicContact CD1-SD 4.42Å; F251-M254 PolarHBondContact O-N 3.49Å; F251-A255 WeakPolarHBondContact O-CB 3.19Å; F251-A255 PolarHBondContact O-N 3.08Å
252	K	91.8	Very high	87.1	Confident	135 Å²	135	74.9 Å²	74.9	59%	0.587	39%	0.392	S	S	*	.	H	α-helix	trans	-62.6	-44.5	174.5	-172.4	175.6	-179.8	176.3	0	110.7	T249 C250 A255 T256	T249-K252 WeakPolarHBondContact OG1-CB 3.42Å; C250-K252 PolarHBondContact O-N 3.48Å; K252-A255 PolarHBondContact O-N 3.44Å; K252-T256 PolarHBondContact O-N 2.95Å; K252-T256 PolarHBondContact O-OG1 2.8Å
253	T	91.3	Very high	87.8	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-46.5	176.9	-61	0	0	0	0	110.9	A231 R234 I235 Y247 T249 C250 F251 A255 T256 V257	A231-T253 HydrophobicContact CB-CG2 4.05Å; R234-T253 HydrophobicContact CB-CG2 4.29Å; I235-T253 HydrophobicContact CD1-CG2 4.46Å; I235-T253 HydrophobicContact CG1-CG2 4.2Å; I235-T253 WeakPolarHBondContact CG1-OG1 3.37Å; Y247-T253 HydrophobicContact CD1-CG2 3.47Å; Y247-T253 VanDerWaalsContact CD1-CG2 3.47Å; Y247-T253 HydrophobicContact CE1-CG2 4.16Å; Y247-T253 HydrophobicContact CG-CG2 3.98Å; T249-T253 WeakPolarHBondContact O-CB 3.44Å; T249-T253 PolarHBondContact O-N 3.43Å; T249-T253 PolarHBondContact O-OG1 3.5Å; C250-T253 WeakPolarHBondContact O-CB 3.35Å; C250-T253 PolarHBondContact O-N 2.94Å; F251-T253 VanDerWaalsContact C-N 3.34Å; F251-T253 PolarHBondContact O-N 2.94Å; T253-A255 VanDerWaalsContact C-N 3.34Å; T253-A255 PolarHBondContact O-N 3.49Å; T253-T256 PolarHBondContact O-N 3.45Å; T253-V257 HydrophobicContact CG2-CG2 4.25Å; T253-V257 WeakPolarHBondContact O-CG2 3.48Å; T253-V257 PolarHBondContact O-N 2.84Å
254	M	92.2	Very high	88.6	Confident	34 Å²	34	76 Å²	76	17%	0.167	37%	0.369	C	S	.	.	H	α-helix	trans	-59	-44.7	176.7	-70.3	172.9	59.9	0	0	112	P227 F228 A231 C250 F251 V257 Y258 L266	P227-M254 HydrophobicContact CB-CE 3.63Å; F228-M254 HydrophobicContact CD1-SD 4.4Å; F228-M254 HydrophobicContact CE1-SD 4.38Å; A231-M254 HydrophobicContact CB-CG 3.74Å; C250-M254 VanDerWaalsContact O-CG 3.32Å; C250-M254 WeakPolarHBondContact O-CG 3.46Å; C250-M254 PolarHBondContact O-N 3.02Å; F251-M254 HydrophobicContact CD1-SD 4.42Å; F251-M254 PolarHBondContact O-N 3.49Å; M254-V257 PolarHBondContact O-N 3.24Å; M254-Y258 WeakPolarHBondContact O-CB 3.41Å; M254-Y258 PolarHBondContact O-N 3.01Å; M254-L266 HydrophobicContact CB-CD2 4.37Å; M254-L266 HydrophobicContact CG-CD2 4.38Å
255	A	92.9	Very high	88.9	Confident	45 Å²	45	69.8 Å²	69.8	37%	0.372	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-44.7	176.1	0	0	0	0	0	111.6	F251 K252 T253 Y258 Q259	F251-A255 WeakPolarHBondContact O-CB 3.19Å; F251-A255 PolarHBondContact O-N 3.08Å; K252-A255 PolarHBondContact O-N 3.44Å; T253-A255 VanDerWaalsContact C-N 3.34Å; T253-A255 PolarHBondContact O-N 3.49Å; A255-Y258 PolarHBondContact O-N 2.95Å; A255-Q259 WeakPolarHBondContact O-CB 3.13Å; A255-Q259 VanDerWaalsContact O-CG 3.3Å; A255-Q259 WeakPolarHBondContact O-CG 3.21Å; A255-Q259 PolarHBondContact O-N 3.43Å
256	T	91.4	Very high	89.3	Confident	21 Å²	21	66.2 Å²	66.2	13%	0.129	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-44.2	175.6	-58	0	0	0	0	111.9	Y247 K252 T253 Y258 Q259 E260	Y247-T256 HydrophobicContact CE1-CG2 3.94Å; K252-T256 PolarHBondContact O-N 2.95Å; K252-T256 PolarHBondContact O-OG1 2.8Å; T253-T256 PolarHBondContact O-N 3.45Å; T256-Y258 VanDerWaalsContact C-N 3.32Å; T256-Y258 PolarHBondContact O-N 3.45Å; T256-Q259 PolarHBondContact O-N 3.45Å; T256-E260 HydrophobicContact CG2-CG 4.19Å; T256-E260 WeakPolarHBondContact CG2-OE1 3.35Å; T256-E260 WeakPolarHBondContact O-CB 3.48Å; T256-E260 WeakPolarHBondContact O-CG 3.13Å; T256-E260 PolarHBondContact O-N 3.3Å
257	V	90.4	Very high	89.7	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-44.5	176.2	178.1	0	0	0	0	110.9	T253 M254 E261 G262 A265 L266	T253-V257 HydrophobicContact CG2-CG2 4.25Å; T253-V257 WeakPolarHBondContact O-CG2 3.48Å; T253-V257 PolarHBondContact O-N 2.84Å; M254-V257 PolarHBondContact O-N 3.24Å; V257-E261 PolarHBondContact O-N 2.83Å; V257-G262 PolarHBondContact O-N 2.84Å; V257-A265 HydrophobicContact CG1-CB 3.71Å; V257-L266 HydrophobicContact CB-CD2 3.82Å; V257-L266 HydrophobicContact CB-CG 4.47Å; V257-L266 HydrophobicContact CG1-CD2 3.73Å; V257-L266 HydrophobicContact CG1-CG 4.05Å; V257-L266 HydrophobicContact CG2-CD2 4.44Å
258	Y	91.7	Very high	89.8	Confident	138 Å²	138	68.4 Å²	68.4	54%	0.541	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-43	178.9	176.7	-100.1	0	0	0	112.2	M254 A255 T256 G262 I263	M254-Y258 WeakPolarHBondContact O-CB 3.41Å; M254-Y258 PolarHBondContact O-N 3.01Å; A255-Y258 PolarHBondContact O-N 2.95Å; T256-Y258 VanDerWaalsContact C-N 3.32Å; T256-Y258 PolarHBondContact O-N 3.45Å; Y258-G262 WeakPolarHBondContact O-CA 3.48Å; Y258-G262 PolarHBondContact O-N 2.7Å; Y258-G262 VanDerWaalsContact O-N 3.08Å; Y258-I263 HydrophobicContact CD2-CB 4.24Å; Y258-I263 HydrophobicContact CD2-CD1 4.09Å; Y258-I263 HydrophobicContact CE2-CB 4.07Å; Y258-I263 HydrophobicContact CE2-CD1 4.17Å
259	Q	89.7	Confident	90.1	Very high	156 Å²	156	62 Å²	62	73%	0.729	31%	0.308	S	S	*	.	H	α-helix	trans	-70.3	-37.6	179.7	-73.2	174.4	-12.7	0	0	113	A255 T256	A255-Q259 WeakPolarHBondContact O-CB 3.13Å; A255-Q259 VanDerWaalsContact O-CG 3.3Å; A255-Q259 WeakPolarHBondContact O-CG 3.21Å; A255-Q259 PolarHBondContact O-N 3.43Å; T256-Q259 PolarHBondContact O-N 3.45Å
260	E	89.1	Confident	90.3	Very high	94 Å²	94	60.4 Å²	60.4	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-91.2	-33.8	-173.7	-66.7	-179.5	168.8	0	0	114.1	K246 T256	K246-E260 WeakPolarHBondContact CE-OE1 3.24Å; K246-E260 WeakPolarHBondContact CE-OE2 3.4Å; K246-E260 IonicContact NZ-OE1 3.08Å; K246-E260 PolarHBondContact NZ-OE1 2.87Å; K246-E260 IonicContact NZ-OE2 2.79Å; K246-E260 PolarHBondContact NZ-OE2 3.22Å; T256-E260 HydrophobicContact CG2-CG 4.19Å; T256-E260 WeakPolarHBondContact CG2-OE1 3.35Å; T256-E260 WeakPolarHBondContact O-CB 3.48Å; T256-E260 WeakPolarHBondContact O-CG 3.13Å; T256-E260 PolarHBondContact O-N 3.3Å
261	E	87	Confident	90.3	Very high	35 Å²	35	65.3 Å²	65.3	16%	0.164	32%	0.322	C	S	.	.	H	α-helix	trans	-124.7	-5.7	-172.8	-62.8	179.3	-133.5	0	0	113.4	C46 R234 V257 A265 K268	C46-E261 HydrophobicContact CB-CG 4.12Å; R234-E261 IonicContact CZ-OE1 2.67Å; R234-E261 IonicContact CZ-OE2 2.87Å; R234-E261 IonicContact NH1-OE1 3.66Å; R234-E261 PolarHBondContact NH1-OE1 2.95Å; R234-E261 IonicContact NH1-OE2 3.98Å; R234-E261 IonicContact NH2-OE1 2.68Å; R234-E261 PolarHBondContact NH2-OE1 3.2Å; R234-E261 IonicContact NH2-OE2 3.67Å; R234-E261 PolarHBondContact NH2-OE2 2.83Å; V257-E261 PolarHBondContact O-N 2.83Å; E261-A265 HydrophobicContact CB-CB 3.39Å; E261-A265 HydrophobicContact CG-CB 4.41Å; E261-K268 IonicContact OE2-NZ 3.17Å; E261-K268 PolarHBondContact OE2-NZ 2.84Å
262	G	88.8	Confident	90.2	Very high	30 Å²	30	58.5 Å²	58.5	31%	0.309	29%	0.293	S	S	.	.			trans	80.7	178.9	-179.3	0	0	0	0	0	114.8	V257 Y258 L264 A265	V257-G262 PolarHBondContact O-N 2.84Å; Y258-G262 WeakPolarHBondContact O-CA 3.48Å; Y258-G262 PolarHBondContact O-N 2.7Å; Y258-G262 VanDerWaalsContact O-N 3.08Å; G262-L264 VanDerWaalsContact C-N 3.34Å; G262-L264 PolarHBondContact O-N 3.49Å; G262-A265 PolarHBondContact O-N 3.4Å
263	I	89.2	Confident	90.1	Very high	90 Å²	90	53 Å²	53	46%	0.462	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-63.2	-36.6	-174.2	-169.3	62.7	0	0	0	113.2	Y258 A265 L266 Y267	Y258-I263 HydrophobicContact CD2-CB 4.24Å; Y258-I263 HydrophobicContact CD2-CD1 4.09Å; Y258-I263 HydrophobicContact CE2-CB 4.07Å; Y258-I263 HydrophobicContact CE2-CD1 4.17Å; I263-A265 PolarHBondContact O-N 2.93Å; I263-L266 HydrophobicContact CD1-CD1 4.2Å; I263-L266 WeakPolarHBondContact O-CB 3.02Å; I263-L266 PolarHBondContact O-N 3.3Å; I263-L266 VanDerWaalsContact O-N 3.12Å; I263-Y267 HydrophobicContact CD1-CE2 4.28Å; I263-Y267 HydrophobicContact CG1-CE2 4.34Å; I263-Y267 WeakPolarHBondContact O-CD2 3.48Å
264	L	88.9	Confident	90.1	Very high	145 Å²	145	55.7 Å²	55.7	76%	0.759	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-64	-28.1	-177.4	-65.1	177	0	0	0	112.2	G262 L266 Y267	G262-L264 VanDerWaalsContact C-N 3.34Å; G262-L264 PolarHBondContact O-N 3.49Å; L264-L266 VanDerWaalsContact C-N 3.28Å; L264-L266 PolarHBondContact O-N 2.93Å; L264-Y267 PolarHBondContact O-N 3.25Å; L264-Y267 VanDerWaalsContact O-N 3.11Å
265	A	88.1	Confident	90	Very high	3 Å²	3	58.2 Å²	58.2	3%	0.025	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-66.6	-29.2	177.5	0	0	0	0	0	113.1	V257 E261 G262 I263 Y267 K268	V257-A265 HydrophobicContact CG1-CB 3.71Å; E261-A265 HydrophobicContact CB-CB 3.39Å; E261-A265 HydrophobicContact CG-CB 4.41Å; G262-A265 PolarHBondContact O-N 3.4Å; I263-A265 PolarHBondContact O-N 2.93Å; A265-Y267 PolarHBondContact O-N 2.91Å; A265-K268 HydrophobicContact CB-CD 4.4Å; A265-K268 WeakPolarHBondContact O-CB 3.46Å; A265-K268 WeakPolarHBondContact O-CG 3.37Å; A265-K268 PolarHBondContact O-N 2.92Å
266	L	90.9	Very high	89.9	Confident	12 Å²	12	59 Å²	59	6%	0.063	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-70.7	-15.1	174.7	-69.1	175.2	0	0	0	113.1	I226 P227 V230 M254 V257 I263 L264	I226-L266 CarbonylContact C-O 3.56Å; P227-L266 HydrophobicContact CB-CB 4.23Å; P227-L266 HydrophobicContact CB-CD2 4.4Å; P227-L266 HydrophobicContact CG-CB 4.45Å; V230-L266 HydrophobicContact CG1-CD2 4.5Å; V230-L266 VanDerWaalsContact CG2-O 3.24Å; V230-L266 WeakPolarHBondContact CG2-O 3.44Å; M254-L266 HydrophobicContact CB-CD2 4.37Å; M254-L266 HydrophobicContact CG-CD2 4.38Å; V257-L266 HydrophobicContact CB-CD2 3.82Å; V257-L266 HydrophobicContact CB-CG 4.47Å; V257-L266 HydrophobicContact CG1-CD2 3.73Å; V257-L266 HydrophobicContact CG1-CG 4.05Å; V257-L266 HydrophobicContact CG2-CD2 4.44Å; I263-L266 HydrophobicContact CD1-CD1 4.2Å; I263-L266 WeakPolarHBondContact O-CB 3.02Å; I263-L266 PolarHBondContact O-N 3.3Å; I263-L266 VanDerWaalsContact O-N 3.12Å; L264-L266 VanDerWaalsContact C-N 3.28Å; L264-L266 PolarHBondContact O-N 2.93Å
267	Y	91.8	Very high	89.6	Confident	89 Å²	89	60.3 Å²	60.3	35%	0.349	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-104.2	6.8	179.1	-71.4	-96.3	0	0	0	113.2	V223 I226 I263 L264 A265 G269 L270	V223-Y267 HydrophobicContact CG1-CE1 4.16Å; I226-Y267 HydrophobicContact CG2-CD1 3.22Å; I226-Y267 HydrophobicContact CG2-CE1 3.57Å; I226-Y267 HydrophobicContact CG2-CG 3.79Å; I263-Y267 HydrophobicContact CD1-CE2 4.28Å; I263-Y267 HydrophobicContact CG1-CE2 4.34Å; I263-Y267 WeakPolarHBondContact O-CD2 3.48Å; L264-Y267 PolarHBondContact O-N 3.25Å; L264-Y267 VanDerWaalsContact O-N 3.11Å; A265-Y267 PolarHBondContact O-N 2.91Å; Y267-G269 PolarHBondContact O-N 3.47Å; Y267-L270 HydrophobicContact CD1-CD2 4.21Å; Y267-L270 VanDerWaalsContact O-CB 3.32Å; Y267-L270 WeakPolarHBondContact O-CB 3.49Å; Y267-L270 PolarHBondContact O-N 2.85Å; Y267-L270 VanDerWaalsContact O-N 3.11Å
268	K	89.1	Confident	89.4	Confident	43 Å²	43	61 Å²	61	19%	0.187	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	130.5	172.5	-75.2	172.7	173.8	178.5	0	110.4	Q42 Q44 V230 E261 A265	Q42-K268 VanDerWaalsContact CG-O 3.23Å; Q42-K268 WeakPolarHBondContact CG-O 3.39Å; Q42-K268 PolarHBondContact NE2-O 3.19Å; Q44-K268 PolarHBondContact O-NZ 3.27Å; V230-K268 HydrophobicContact CG2-CB 4.48Å; E261-K268 IonicContact OE2-NZ 3.17Å; E261-K268 PolarHBondContact OE2-NZ 2.84Å; A265-K268 HydrophobicContact CB-CD 4.4Å; A265-K268 WeakPolarHBondContact O-CB 3.46Å; A265-K268 WeakPolarHBondContact O-CG 3.37Å; A265-K268 PolarHBondContact O-N 2.92Å
269	G	87.4	Confident	89.2	Confident	7 Å²	7	57.6 Å²	57.6	7%	0.072	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	6.6	-178.7	0	0	0	0	0	115.7	Y267 K273	Y267-G269 PolarHBondContact O-N 3.47Å; G269-K273 WeakPolarHBondContact O-CB 3.24Å; G269-K273 PolarHBondContact O-N 3.02Å
270	L	91.4	Very high	89.1	Confident	36 Å²	36	50.4 Å²	50.4	19%	0.188	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-47.4	173.1	179.6	64.5	0	0	0	111.7	V223 I226 Y267 K273 I274	V223-L270 HydrophobicContact CG2-CD1 4.17Å; V223-L270 HydrophobicContact CG2-CD2 4.29Å; I226-L270 HydrophobicContact CB-CD1 4.3Å; I226-L270 HydrophobicContact CD1-CB 4.42Å; I226-L270 HydrophobicContact CG1-CB 4.17Å; I226-L270 HydrophobicContact CG1-CD1 4.49Å; I226-L270 HydrophobicContact CG2-CD1 4.47Å; Y267-L270 HydrophobicContact CD1-CD2 4.21Å; Y267-L270 VanDerWaalsContact O-CB 3.32Å; Y267-L270 WeakPolarHBondContact O-CB 3.49Å; Y267-L270 PolarHBondContact O-N 2.85Å; Y267-L270 VanDerWaalsContact O-N 3.11Å; L270-K273 WeakPolarHBondContact O-CB 3.4Å; L270-K273 PolarHBondContact O-N 3.5Å; L270-K273 VanDerWaalsContact O-N 3.11Å; L270-I274 HydrophobicContact CD1-CD1 3.82Å; L270-I274 HydrophobicContact CD1-CG1 4.09Å; L270-I274 HydrophobicContact CD2-CD1 4.28Å; L270-I274 HydrophobicContact CG-CD1 3.77Å; L270-I274 HydrophobicContact CG-CG1 4.36Å; L270-I274 WeakPolarHBondContact O-CG1 3.46Å; L270-I274 PolarHBondContact O-N 2.93Å
271	L	90.6	Very high	88.9	Confident	108 Å²	108	47.5 Å²	47.5	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-59.3	-53.5	-178.7	176.6	66.2	0	0	0	112.4	L56 K273 I274 M275	L56-L271 HydrophobicContact CD1-CD2 4.09Å; L56-L271 HydrophobicContact CD1-CG 4.21Å; L271-K273 PolarHBondContact O-N 2.89Å; L271-I274 PolarHBondContact O-N 3.44Å; L271-M275 HydrophobicContact CD1-CG 4.05Å; L271-M275 HydrophobicContact CD1-SD 4.07Å; L271-M275 HydrophobicContact CG-CG 4.38Å; L271-M275 HydrophobicContact CG-SD 3.95Å; L271-M275 WeakPolarHBondContact O-CB 3.44Å; L271-M275 WeakPolarHBondContact O-CG 3.25Å; L271-M275 PolarHBondContact O-N 3.09Å
272	P	90.4	Very high	88.9	Confident	7 Å²	7	48 Å²	48	5%	0.045	27%	0.27	C	S	.	.	H	α-helix	trans	-52.5	-38.5	171.6	-26.2	28.6	0	0	0	114.2	V37 K38 L56 R276	V37-P272 HydrophobicContact CG1-CG 4.48Å; K38-P272 HydrophobicContact CB-CB 3.79Å; K38-P272 HydrophobicContact CB-CG 4.36Å; K38-P272 HydrophobicContact CG-CB 4.3Å; L56-P272 HydrophobicContact CD1-CB 4.45Å; L56-P272 HydrophobicContact CD1-CG 3.66Å; P272-R276 PolarHBondContact O-N 3.34Å; P272-R276 VanDerWaalsContact O-N 3.15Å
273	K	90.4	Very high	89	Confident	20 Å²	20	48 Å²	48	9%	0.087	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-46.3	179.5	-173.7	179.2	-175.2	169.6	0	111.3	K38 S222 N225 I226 D229 G269 L270 L271 R276 L277	K38-K273 HydrophobicContact CD-CB 4.21Å; S222-K273 VanDerWaalsContact OG-CE 3.29Å; S222-K273 WeakPolarHBondContact OG-CE 3.36Å; N225-K273 PolarHBondContact ND2-NZ 2.92Å; I226-K273 HydrophobicContact CD1-CD 3.81Å; D229-K273 IonicContact OD1-NZ 3.52Å; D229-K273 WeakPolarHBondContact OD2-CE 3.49Å; D229-K273 IonicContact OD2-NZ 3.42Å; D229-K273 PolarHBondContact OD2-NZ 3.21Å; G269-K273 WeakPolarHBondContact O-CB 3.24Å; G269-K273 PolarHBondContact O-N 3.02Å; L270-K273 WeakPolarHBondContact O-CB 3.4Å; L270-K273 PolarHBondContact O-N 3.5Å; L270-K273 VanDerWaalsContact O-N 3.11Å; L271-K273 PolarHBondContact O-N 2.89Å; K273-R276 PolarHBondContact O-N 3.44Å; K273-L277 PolarHBondContact O-N 2.89Å
274	I	90.9	Very high	88.9	Confident	57 Å²	57	46.9 Å²	46.9	29%	0.292	26%	0.258	S	S	.	.	H	α-helix	trans	-68.1	-44.2	179.2	-65.2	173.6	0	0	0	110.5	T219 L270 L271 R276 L277	T219-I274 HydrophobicContact CG2-CD1 4.08Å; T219-I274 HydrophobicContact CG2-CG1 4.41Å; L270-I274 HydrophobicContact CD1-CD1 3.82Å; L270-I274 HydrophobicContact CD1-CG1 4.09Å; L270-I274 HydrophobicContact CD2-CD1 4.28Å; L270-I274 HydrophobicContact CG-CD1 3.77Å; L270-I274 HydrophobicContact CG-CG1 4.36Å; L270-I274 WeakPolarHBondContact O-CG1 3.46Å; L270-I274 PolarHBondContact O-N 2.93Å; L271-I274 PolarHBondContact O-N 3.44Å; I274-R276 PolarHBondContact O-N 2.74Å; I274-R276 VanDerWaalsContact O-N 3.17Å; I274-L277 PolarHBondContact O-N 3.43Å
275	M	90.5	Very high	88.7	Confident	86 Å²	86	42.8 Å²	42.8	42%	0.424	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-29.4	177.8	-73.1	-179.1	72.8	0	0	112.9	L34 L56 L271 P279	L34-M275 HydrophobicContact CD1-CB 4.5Å; L56-M275 HydrophobicContact CD1-SD 4.06Å; L271-M275 HydrophobicContact CD1-CG 4.05Å; L271-M275 HydrophobicContact CD1-SD 4.07Å; L271-M275 HydrophobicContact CG-CG 4.38Å; L271-M275 HydrophobicContact CG-SD 3.95Å; L271-M275 WeakPolarHBondContact O-CB 3.44Å; L271-M275 WeakPolarHBondContact O-CG 3.25Å; L271-M275 PolarHBondContact O-N 3.09Å; M275-P279 WeakPolarHBondContact O-CD 3.16Å; M275-P279 WeakPolarHBondContact O-CG 3.44Å
276	R	89.5	Confident	88.8	Confident	61 Å²	61	48.1 Å²	48.1	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-74.3	-34	175.7	177	176.4	171.7	-173.2	2.6	113.3	E27 M31 L34 D35 P272 K273 I274 G278 G280	E27-R276 IonicContact OE1-CZ 2.71Å; E27-R276 IonicContact OE1-NE 3.4Å; E27-R276 PolarHBondContact OE1-NE 2.95Å; E27-R276 IonicContact OE1-NH2 3.71Å; E27-R276 PolarHBondContact OE1-NH2 2.87Å; E27-R276 IonicContact OE2-NH2 3.89Å; E27-R276 PolarHBondContact OE2-NH2 2.85Å; M31-R276 HydrophobicContact CB-CG 3.99Å; M31-R276 HydrophobicContact CG-CG 4.03Å; M31-R276 HydrophobicContact SD-CG 4.08Å; L34-R276 HydrophobicContact CD1-CB 4.24Å; D35-R276 IonicContact OD1-CZ 2.89Å; D35-R276 IonicContact OD1-NE 2.65Å; D35-R276 IonicContact OD1-NH1 2.68Å; D35-R276 PolarHBondContact OD1-NH1 3.46Å; D35-R276 IonicContact OD2-CZ 3.23Å; D35-R276 IonicContact OD2-NH1 2.73Å; D35-R276 PolarHBondContact OD2-NH1 3.09Å; P272-R276 PolarHBondContact O-N 3.34Å; P272-R276 VanDerWaalsContact O-N 3.15Å; K273-R276 PolarHBondContact O-N 3.44Å; I274-R276 PolarHBondContact O-N 2.74Å; I274-R276 VanDerWaalsContact O-N 3.17Å; R276-G278 PolarHBondContact O-N 2.9Å; R276-G280 WeakPolarHBondContact O-CA 3.05Å; R276-G280 PolarHBondContact O-N 2.87Å
277	L	86.3	Confident	88.8	Confident	50 Å²	50	48.7 Å²	48.7	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-46.8	-168.9	-72.8	172.9	0	0	0	113.2	L215 K273 I274 G281	L215-L277 HydrophobicContact CD2-CB 4.15Å; K273-L277 PolarHBondContact O-N 2.89Å; I274-L277 PolarHBondContact O-N 3.43Å; L277-G281 PolarHBondContact O-N 3.43Å; L277-G281 VanDerWaalsContact O-N 3.11Å
278	G	85.1	Confident	88.7	Confident	15 Å²	15	48.2 Å²	48.2	16%	0.155	27%	0.266	C	S	.	.	H	α-helix	trans	-69.8	-62.5	-178	0	0	0	0	0	113.3	R276 G280 G281 A282	R276-G278 PolarHBondContact O-N 2.9Å; G278-G280 VanDerWaalsContact C-N 3.31Å; G278-G280 PolarHBondContact O-N 3Å; G278-G281 PolarHBondContact O-N 2.94Å; G278-A282 WeakPolarHBondContact O-CB 3.4Å; G278-A282 PolarHBondContact O-N 2.84Å
279	P	88.4	Confident	88.7	Confident	65 Å²	65	51 Å²	51	42%	0.422	28%	0.28	S	S	.	.	H	α-helix	trans	-57.1	-42.3	178.1	-24.9	35	0	0	0	112.7	M31 M275 G281 A282 V283	M31-P279 HydrophobicContact CE-CB 3.79Å; M31-P279 HydrophobicContact SD-CB 4.09Å; M275-P279 WeakPolarHBondContact O-CD 3.16Å; M275-P279 WeakPolarHBondContact O-CG 3.44Å; P279-G281 PolarHBondContact O-N 3Å; P279-A282 PolarHBondContact O-N 3.26Å; P279-V283 WeakPolarHBondContact O-CB 3.42Å; P279-V283 VanDerWaalsContact O-CG2 3.27Å; P279-V283 WeakPolarHBondContact O-CG2 3.41Å; P279-V283 PolarHBondContact O-N 3.5Å
280	G	86.6	Confident	88.9	Confident	5 Å²	5	58.6 Å²	58.6	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-43.9	178.1	0	0	0	0	0	112.4	R276 G278 M284	R276-G280 WeakPolarHBondContact O-CA 3.05Å; R276-G280 PolarHBondContact O-N 2.87Å; G278-G280 VanDerWaalsContact C-N 3.31Å; G278-G280 PolarHBondContact O-N 3Å; G280-M284 VanDerWaalsContact O-CB 3.29Å; G280-M284 WeakPolarHBondContact O-CB 3.42Å; G280-M284 PolarHBondContact O-N 3.43Å
281	G	85.5	Confident	88.9	Confident	33 Å²	33	57.9 Å²	57.9	34%	0.34	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-42.9	174.8	0	0	0	0	0	113	L277 G278 P279 L285	L277-G281 PolarHBondContact O-N 3.43Å; L277-G281 VanDerWaalsContact O-N 3.11Å; G278-G281 PolarHBondContact O-N 2.94Å; P279-G281 PolarHBondContact O-N 3Å; G281-L285 WeakPolarHBondContact O-CB 3.46Å; G281-L285 PolarHBondContact O-N 3.4Å; G281-L285 VanDerWaalsContact O-N 3.12Å
282	A	86.9	Confident	88.8	Confident	46 Å²	46	54.8 Å²	54.8	38%	0.38	29%	0.285	S	S	.	.	H	α-helix	trans	-65.3	-45.9	178.8	0	0	0	0	0	112.4	G278 P279 L285 L286	G278-A282 WeakPolarHBondContact O-CB 3.4Å; G278-A282 PolarHBondContact O-N 2.84Å; P279-A282 PolarHBondContact O-N 3.26Å; A282-L285 PolarHBondContact O-N 2.93Å; A282-L286 WeakPolarHBondContact O-CB 3.23Å; A282-L286 PolarHBondContact O-N 2.87Å
283	V	90.1	Very high	88.8	Confident	30 Å²	30	57 Å²	57	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-50	176.8	166	0	0	0	0	110.8	V26 E27 L30 P279 L285 L286 V287	V26-V283 HydrophobicContact CG1-CG1 3.91Å; E27-V283 HydrophobicContact CB-CG1 4.31Å; L30-V283 HydrophobicContact CD1-CG1 3.86Å; L30-V283 HydrophobicContact CD1-CG2 3.86Å; P279-V283 WeakPolarHBondContact O-CB 3.42Å; P279-V283 VanDerWaalsContact O-CG2 3.27Å; P279-V283 WeakPolarHBondContact O-CG2 3.41Å; P279-V283 PolarHBondContact O-N 3.5Å; V283-L285 PolarHBondContact O-N 3.21Å; V283-L286 PolarHBondContact O-N 2.94Å; V283-V287 HydrophobicContact CG1-CG2 4.2Å; V283-V287 WeakPolarHBondContact O-CB 3.3Å; V283-V287 VanDerWaalsContact O-CG2 3.25Å; V283-V287 WeakPolarHBondContact O-CG2 3.48Å; V283-V287 PolarHBondContact O-N 3.24Å
284	M	87.8	Confident	88.8	Confident	67 Å²	67	62.3 Å²	62.3	33%	0.33	32%	0.32	S	S	.	.	H	α-helix	trans	-56.9	-41.1	-179.2	176.2	175.7	158.7	0	0	111	A23 E27 R87 G280 Y288	A23-M284 HydrophobicContact CB-CG 4.27Å; A23-M284 VanDerWaalsContact CB-O 3.31Å; A23-M284 WeakPolarHBondContact CB-O 3.28Å; E27-M284 HydrophobicContact CB-CB 4.42Å; R87-M284 PolarHBondContact NH2-SD 2.92Å; G280-M284 VanDerWaalsContact O-CB 3.29Å; G280-M284 WeakPolarHBondContact O-CB 3.42Å; G280-M284 PolarHBondContact O-N 3.43Å; M284-Y288 WeakPolarHBondContact O-CB 3.24Å; M284-Y288 PolarHBondContact O-N 2.71Å
285	L	85.6	Confident	88.8	Confident	58 Å²	58	60.1 Å²	60.1	30%	0.304	31%	0.309	S	S	.	.	H	α-helix	trans	-68.8	-51.5	179.7	-172	132.5	0	0	0	112.4	F207 G281 A282 V283 V287 Y288 E289	F207-L285 HydrophobicContact CD2-CD1 4.34Å; F207-L285 HydrophobicContact CE2-CD1 3.33Å; F207-L285 HydrophobicContact CE2-CD2 3.47Å; F207-L285 VanDerWaalsContact CE2-CD2 3.47Å; F207-L285 HydrophobicContact CE2-CG 3.97Å; F207-L285 HydrophobicContact CZ-CD1 3.94Å; F207-L285 HydrophobicContact CZ-CD2 3.69Å; F207-L285 HydrophobicContact CZ-CG 4.38Å; G281-L285 WeakPolarHBondContact O-CB 3.46Å; G281-L285 PolarHBondContact O-N 3.4Å; G281-L285 VanDerWaalsContact O-N 3.12Å; A282-L285 PolarHBondContact O-N 2.93Å; V283-L285 PolarHBondContact O-N 3.21Å; L285-V287 VanDerWaalsContact C-N 3.3Å; L285-V287 PolarHBondContact O-N 2.75Å; L285-Y288 PolarHBondContact O-N 2.73Å; L285-Y288 VanDerWaalsContact O-N 3.15Å; L285-E289 VanDerWaalsContact CD2-CD 3.46Å; L285-E289 HydrophobicContact CD2-CG 4.28Å; L285-E289 WeakPolarHBondContact CD2-OE1 3.36Å; L285-E289 WeakPolarHBondContact CD2-OE2 3.47Å; L285-E289 HydrophobicContact CG-CG 4.48Å; L285-E289 WeakPolarHBondContact O-CG 3.38Å; L285-E289 PolarHBondContact O-N 3.27Å
286	L	89.7	Confident	88.7	Confident	116 Å²	116	60.4 Å²	60.4	61%	0.607	31%	0.31	S	S	*	.	H	α-helix	trans	-58.7	-44.7	-178.2	-177.7	150.5	0	0	0	111.3	A282 V283 Y290	A282-L286 WeakPolarHBondContact O-CB 3.23Å; A282-L286 PolarHBondContact O-N 2.87Å; V283-L286 PolarHBondContact O-N 2.94Å; L286-Y290 VanDerWaalsContact O-CB 3.26Å; L286-Y290 WeakPolarHBondContact O-CB 3.21Å; L286-Y290 PolarHBondContact O-N 3.12Å
287	V	91.8	Very high	88.5	Confident	24 Å²	24	65.4 Å²	65.4	15%	0.145	34%	0.335	C	S	.	.	H	α-helix	trans	-68.7	-38.5	179.3	179.3	0	0	0	0	110.8	A23 V26 V283 L285 T291	A23-V287 VanDerWaalsContact CA-CG1 3.49Å; A23-V287 HydrophobicContact CB-CB 4.07Å; A23-V287 HydrophobicContact CB-CG1 4.07Å; V26-V287 HydrophobicContact CB-CG1 4.35Å; V26-V287 HydrophobicContact CB-CG2 4.06Å; V26-V287 HydrophobicContact CG1-CG2 3.86Å; V26-V287 HydrophobicContact CG2-CG1 4.13Å; V26-V287 HydrophobicContact CG2-CG2 4.43Å; V283-V287 HydrophobicContact CG1-CG2 4.2Å; V283-V287 WeakPolarHBondContact O-CB 3.3Å; V283-V287 VanDerWaalsContact O-CG2 3.25Å; V283-V287 WeakPolarHBondContact O-CG2 3.48Å; V283-V287 PolarHBondContact O-N 3.24Å; L285-V287 VanDerWaalsContact C-N 3.3Å; L285-V287 PolarHBondContact O-N 2.75Å; V287-T291 WeakPolarHBondContact O-CB 3.36Å; V287-T291 PolarHBondContact O-N 3.15Å; V287-T291 PolarHBondContact O-OG1 3.14Å
288	Y	89.8	Confident	88.3	Confident	79 Å²	79	66.4 Å²	66.4	31%	0.31	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-52.2	176.3	179	-90.2	0	0	0	111.1	A19 M284 L285 Y290 T291 Y292	A19-Y288 HydrophobicContact CB-CD2 3.85Å; A19-Y288 HydrophobicContact CB-CE2 3.86Å; M284-Y288 WeakPolarHBondContact O-CB 3.24Å; M284-Y288 PolarHBondContact O-N 2.71Å; L285-Y288 PolarHBondContact O-N 2.73Å; L285-Y288 VanDerWaalsContact O-N 3.15Å; Y288-Y290 PolarHBondContact O-N 2.97Å; Y288-T291 PolarHBondContact O-N 3.25Å; Y288-Y292 HydrophobicContact CE1-CG 4.42Å; Y288-Y292 WeakPolarHBondContact O-CB 3.29Å; Y288-Y292 PolarHBondContact O-N 3.26Å
289	E	88.4	Confident	87.2	Confident	102 Å²	102	72.3 Å²	72.3	48%	0.477	36%	0.364	S	S	.	.	H	α-helix	trans	-61.4	-45.9	-178.1	-72.2	-179.3	170.2	0	0	111.7	L285 S293	L285-E289 VanDerWaalsContact CD2-CD 3.46Å; L285-E289 HydrophobicContact CD2-CG 4.28Å; L285-E289 WeakPolarHBondContact CD2-OE1 3.36Å; L285-E289 WeakPolarHBondContact CD2-OE2 3.47Å; L285-E289 HydrophobicContact CG-CG 4.48Å; L285-E289 WeakPolarHBondContact O-CG 3.38Å; L285-E289 PolarHBondContact O-N 3.27Å; E289-S293 VanDerWaalsContact O-CB 3.29Å; E289-S293 WeakPolarHBondContact O-CB 3.47Å; E289-S293 PolarHBondContact O-N 2.79Å; E289-S293 PolarHBondContact O-OG 3.01Å
290	Y	91.5	Very high	87.1	Confident	166 Å²	166	72.7 Å²	72.7	65%	0.651	36%	0.361	S	S	*	.	H	α-helix	trans	-63	-50.1	177.8	-176.4	-94.7	0	0	0	111.7	L286 Y288 Y292 S293 W294	L286-Y290 VanDerWaalsContact O-CB 3.26Å; L286-Y290 WeakPolarHBondContact O-CB 3.21Å; L286-Y290 PolarHBondContact O-N 3.12Å; Y288-Y290 PolarHBondContact O-N 2.97Å; Y290-Y292 PolarHBondContact O-N 3.36Å; Y290-S293 PolarHBondContact O-N 3.5Å; Y290-W294 WeakPolarHBondContact O-CB 3.09Å; Y290-W294 PolarHBondContact O-N 3.46Å
291	T	90.6	Very high	87.1	Confident	20 Å²	20	76.2 Å²	76.2	12%	0.123	38%	0.378	C	S	.	.	H	α-helix	trans	-65.9	-41.7	-177.7	-52.2	0	0	0	0	111.2	A19 V287 Y288 W294 L295	A19-T291 HydrophobicContact CB-CG2 4.21Å; V287-T291 WeakPolarHBondContact O-CB 3.36Å; V287-T291 PolarHBondContact O-N 3.15Å; V287-T291 PolarHBondContact O-OG1 3.14Å; Y288-T291 PolarHBondContact O-N 3.25Å; T291-W294 PolarHBondContact O-N 2.89Å; T291-L295 HydrophobicContact CG2-CD1 4.02Å; T291-L295 HydrophobicContact CG2-CG 4.42Å; T291-L295 WeakPolarHBondContact O-CB 3.14Å; T291-L295 VanDerWaalsContact O-CG 3.22Å; T291-L295 WeakPolarHBondContact O-CG 3.24Å; T291-L295 PolarHBondContact O-N 3.18Å
292	Y	89.8	Confident	87.2	Confident	43 Å²	43	78.6 Å²	78.6	17%	0.169	38%	0.38	C	S	.	.	H	α-helix	trans	-65.5	-43.8	179	-176	-101.4	0	0	0	111.5	E12 R15 Q16 A19 Y288 Y290 L295 Q296	E12-Y292 WeakPolarHBondContact OE1-CE2 3.34Å; E12-Y292 PolarHBondContact OE1-OH 3.25Å; R15-Y292 HydrophobicContact CB-CD2 4.44Å; R15-Y292 HydrophobicContact CB-CE2 4.26Å; Q16-Y292 HydrophobicContact CG-CD2 4.44Å; Q16-Y292 HydrophobicContact CG-CE2 3.83Å; A19-Y292 HydrophobicContact CB-CD2 4.26Å; Y288-Y292 HydrophobicContact CE1-CG 4.42Å; Y288-Y292 WeakPolarHBondContact O-CB 3.29Å; Y288-Y292 PolarHBondContact O-N 3.26Å; Y290-Y292 PolarHBondContact O-N 3.36Å; Y292-L295 PolarHBondContact O-N 3.3Å; Y292-Q296 HydrophobicContact CD1-CG 4.43Å; Y292-Q296 VanDerWaalsContact CE1-CD 3.5Å; Y292-Q296 HydrophobicContact CE1-CG 4.13Å; Y292-Q296 VanDerWaalsContact CZ-NE2 3.27Å; Y292-Q296 WeakPolarHBondContact O-CG 3.06Å; Y292-Q296 PolarHBondContact O-N 2.97Å; Y292-Q296 PolarHBondContact OH-NE2 3.24Å
293	S	89.4	Confident	87.3	Confident	53 Å²	53	80.5 Å²	80.5	37%	0.371	38%	0.38	S	S	.	.	H	α-helix	trans	-62.6	-45.5	175.7	-54.9	0	0	0	0	111.2	E289 Y290 L295 Q296 E297	E289-S293 VanDerWaalsContact O-CB 3.29Å; E289-S293 WeakPolarHBondContact O-CB 3.47Å; E289-S293 PolarHBondContact O-N 2.79Å; E289-S293 PolarHBondContact O-OG 3.01Å; Y290-S293 PolarHBondContact O-N 3.5Å; S293-L295 VanDerWaalsContact C-N 3.33Å; S293-L295 PolarHBondContact O-N 3.28Å; S293-Q296 WeakPolarHBondContact O-CB 3.37Å; S293-Q296 PolarHBondContact O-N 3.02Å; S293-Q296 VanDerWaalsContact O-N 3.11Å; S293-E297 PolarHBondContact O-N 3.33Å; S293-E297 VanDerWaalsContact O-N 3.1Å
294	W	91.7	Very high	87.1	Confident	133 Å²	133	83.7 Å²	83.7	50%	0.504	39%	0.392	S	S	.	.	H	α-helix	trans	-59.9	-40.4	176	177.9	77.5	0	0	0	112.8	Y290 T291 Q296 E297 S298	Y290-W294 WeakPolarHBondContact O-CB 3.09Å; Y290-W294 PolarHBondContact O-N 3.46Å; T291-W294 PolarHBondContact O-N 2.89Å; W294-Q296 VanDerWaalsContact C-N 3.35Å; W294-E297 PolarHBondContact O-N 3.41Å; W294-S298 PolarHBondContact NE1-OG 3.02Å; W294-S298 VanDerWaalsContact NE1-OG 3.16Å; W294-S298 WeakPolarHBondContact O-CB 3.4Å; W294-S298 PolarHBondContact O-N 3.44Å; W294-S298 PolarHBondContact O-OG 3.3Å
295	L	90.1	Very high	87	Confident	11 Å²	11	84.8 Å²	84.8	6%	0.058	40%	0.396	C	S	.	.	H	α-helix	trans	-68.9	-30.6	175.7	-74.3	169.1	0	0	0	112.9	R15 V18 A19 T291 Y292 S293 E297 W299	R15-L295 HydrophobicContact CB-CB 4.44Å; R15-L295 HydrophobicContact CB-CD1 4.4Å; R15-L295 HydrophobicContact CG-CB 4.17Å; R15-L295 WeakPolarHBondContact O-CD1 3.48Å; V18-L295 HydrophobicContact CB-CD1 3.89Å; V18-L295 HydrophobicContact CG1-CD1 3.83Å; V18-L295 HydrophobicContact CG1-CD2 4.49Å; A19-L295 HydrophobicContact CB-CD1 4.35Å; T291-L295 HydrophobicContact CG2-CD1 4.02Å; T291-L295 HydrophobicContact CG2-CG 4.42Å; T291-L295 WeakPolarHBondContact O-CB 3.14Å; T291-L295 VanDerWaalsContact O-CG 3.22Å; T291-L295 WeakPolarHBondContact O-CG 3.24Å; T291-L295 PolarHBondContact O-N 3.18Å; Y292-L295 PolarHBondContact O-N 3.3Å; S293-L295 VanDerWaalsContact C-N 3.33Å; S293-L295 PolarHBondContact O-N 3.28Å; L295-E297 VanDerWaalsContact C-N 3.34Å; L295-W299 HydrophobicContact CD2-CE3 4.39Å; L295-W299 CarbonylContact O-C 3.53Å; L295-W299 WeakPolarHBondContact O-CA 3.45Å; L295-W299 PolarHBondContact O-N 3.32Å; L295-W299 VanDerWaalsContact O-N 3.09Å
296	Q	87.7	Confident	87.1	Confident	92 Å²	92	86.7 Å²	86.7	43%	0.43	40%	0.403	S	S	.	.	H	α-helix	trans	-69.2	-35	174	-75.1	-174.1	-22.8	0	0	112.1	Y292 S293 W294	Y292-Q296 HydrophobicContact CD1-CG 4.43Å; Y292-Q296 VanDerWaalsContact CE1-CD 3.5Å; Y292-Q296 HydrophobicContact CE1-CG 4.13Å; Y292-Q296 VanDerWaalsContact CZ-NE2 3.27Å; Y292-Q296 WeakPolarHBondContact O-CG 3.06Å; Y292-Q296 PolarHBondContact O-N 2.97Å; Y292-Q296 PolarHBondContact OH-NE2 3.24Å; S293-Q296 WeakPolarHBondContact O-CB 3.37Å; S293-Q296 PolarHBondContact O-N 3.02Å; S293-Q296 VanDerWaalsContact O-N 3.11Å; W294-Q296 VanDerWaalsContact C-N 3.35Å
297	E	86.9	Confident	86.9	Confident	166 Å²	166	84.5 Å²	84.5	78%	0.776	39%	0.387	S	S	*	.	H	α-helix	trans	-81	-40.6	179	-68.9	176.6	-176.5	0	0	112.9	S293 W294 L295	S293-E297 PolarHBondContact O-N 3.33Å; S293-E297 VanDerWaalsContact O-N 3.1Å; W294-E297 PolarHBondContact O-N 3.41Å; L295-E297 VanDerWaalsContact C-N 3.34Å
298	S	80.2	Confident	86.5	Confident	71 Å²	71	89.5 Å²	89.5	50%	0.497	41%	0.407	S	S	.	.	H	α-helix	trans	-92.8	-26.9	-170.6	-54.6	0	0	0	0	114	W294	W294-S298 PolarHBondContact NE1-OG 3.02Å; W294-S298 VanDerWaalsContact NE1-OG 3.16Å; W294-S298 WeakPolarHBondContact O-CB 3.4Å; W294-S298 PolarHBondContact O-N 3.44Å; W294-S298 PolarHBondContact O-OG 3.3Å
299	W	62.5	Low	86.2	Confident	138 Å²	138	90.5 Å²	90.5	52%	0.523	42%	0.416	S	S	.	.			trans	-125.9	0	-176.9	-175.7	34.9	0	0	0	111.1	R11 S14 R15 L295	R11-W299 HydrophobicContact CG-CZ2 4.43Å; R11-W299 PolarHBondContact NE-O 3.3Å; R11-W299 VanDerWaalsContact NE-O 3.09Å; R11-W299 PolarHBondContact NH2-O 3.34Å; R11-W299 VanDerWaalsContact NH2-O 3.09Å; R11-W299 PolarHBondContact NH2-OXT 3.11Å; S14-W299 WeakPolarHBondContact OG-CH2 2.99Å; S14-W299 WeakPolarHBondContact OG-CZ3 3.15Å; R15-W299 HydrophobicContact CG-CE3 3.89Å; R15-W299 HydrophobicContact CG-CZ3 4.14Å; R15-W299 VanDerWaalsContact CZ-O 3.22Å; R15-W299 PolarHBondContact NE-O 3.28Å; R15-W299 PolarHBondContact NH2-O 3.15Å; L295-W299 HydrophobicContact CD2-CE3 4.39Å; L295-W299 CarbonylContact O-C 3.53Å; L295-W299 WeakPolarHBondContact O-CA 3.45Å; L295-W299 PolarHBondContact O-N 3.32Å; L295-W299 VanDerWaalsContact O-N 3.09Å

Retrieved 299 of 299 residues in 378.4 ms (Link to these results)

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