A0A087XD42_POEFO Loading...

PAK4-inhibitor INKA2

Inhibitor of the serine/threonine-protein kinase PAK4. Acts by binding PAK4 in a substrate-like manner, inhibiting the protein kinase activity.

AlphaFold DB , UniProt , Accession A0A087XD42, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 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	K	75.1	Confident	85.1	Confident	224 Å²	224	155.3 Å²	155.3	97%	0.974	70%	0.697	S	S	*	*				0	-62.7	0	-148.5	167.1	-176.4	174.8	0	113.4	M3 K4 I5	K1-M3 PolarHBondContact O-N 3.21Å; K1-K4 PolarHBondContact O-N 3.44Å; K1-I5 HydrophobicContact CG-CD1 4.45Å
2	K	82.8	Confident	84.8	Confident	181 Å²	181	155 Å²	155	79%	0.787	69%	0.694	S	S	*	*	H	α-helix	trans	-51.4	-40.4	-174.9	-67.3	-179.1	178.6	177.2	0	115.5	I5 K6	K2-I5 PolarHBondContact O-N 3.21Å; K2-K6 PolarHBondContact O-N 3.14Å; K2-K6 VanDerWaalsContact O-N 3.11Å
3	M	82.4	Confident	84.6	Confident	161 Å²	161	151.8 Å²	151.8	79%	0.793	69%	0.686	S	S	*	*	H	α-helix	trans	-60.4	-46.1	178	-71.3	-75.8	-84.7	0	0	113.9	K1 I5 K6 K7	K1-M3 PolarHBondContact O-N 3.21Å; M3-I5 VanDerWaalsContact C-N 3.29Å; M3-I5 PolarHBondContact O-N 3.29Å; M3-K6 PolarHBondContact O-N 2.98Å; M3-K7 PolarHBondContact O-N 3.18Å
4	K	83.1	Confident	84.3	Confident	184 Å²	184	145.6 Å²	145.6	80%	0.8	67%	0.67	S	S	*	*	H	α-helix	trans	-60.1	-39.5	176.8	-83.8	-172.2	173.5	-177.5	0	111.4	K1 K7 L8	K1-K4 PolarHBondContact O-N 3.44Å; K4-K7 PolarHBondContact O-N 3.28Å; K4-L8 WeakPolarHBondContact O-CB 3.08Å; K4-L8 PolarHBondContact O-N 2.88Å
5	I	88.6	Confident	83.7	Confident	83 Å²	83	144.7 Å²	144.7	43%	0.426	67%	0.669	S	S	.	*	H	α-helix	trans	-65.3	-43.5	178.3	-62	169.2	0	0	0	111.2	K1 K2 M3 L8 R9	K1-I5 HydrophobicContact CG-CD1 4.45Å; K2-I5 PolarHBondContact O-N 3.21Å; M3-I5 VanDerWaalsContact C-N 3.29Å; M3-I5 PolarHBondContact O-N 3.29Å; I5-L8 PolarHBondContact O-N 2.86Å; I5-R9 WeakPolarHBondContact O-CG 3.42Å; I5-R9 PolarHBondContact O-N 3.35Å
6	K	89.1	Confident	83.5	Confident	160 Å²	160	146.4 Å²	146.4	70%	0.696	67%	0.668	S	S	*	*	H	α-helix	trans	-61.4	-45.1	174.1	-74.4	-171.1	174.7	-172.8	0	111.9	K2 M3 L8 R9 K10	K2-K6 PolarHBondContact O-N 3.14Å; K2-K6 VanDerWaalsContact O-N 3.11Å; M3-K6 PolarHBondContact O-N 2.98Å; K6-L8 PolarHBondContact O-N 3.39Å; K6-R9 PolarHBondContact O-N 3.1Å; K6-K10 PolarHBondContact O-N 3.37Å
7	K	87.5	Confident	83.2	Confident	171 Å²	171	146.2 Å²	146.2	74%	0.743	67%	0.668	S	S	*	*	H	α-helix	trans	-63	-41.9	178.4	-169.5	170.2	-177.6	175.9	0	112.2	M3 K4 K10 N11	M3-K7 PolarHBondContact O-N 3.18Å; K4-K7 PolarHBondContact O-N 3.28Å; K7-K10 PolarHBondContact O-N 2.99Å; K7-N11 PolarHBondContact O-N 2.85Å
8	L	88.1	Confident	82.7	Confident	110 Å²	110	141.9 Å²	141.9	58%	0.576	66%	0.662	S	S	*	*	H	α-helix	trans	-65.2	-40.3	177.2	-170.7	67.6	0	0	0	112.3	K4 I5 K6 N11 K12	K4-L8 WeakPolarHBondContact O-CB 3.08Å; K4-L8 PolarHBondContact O-N 2.88Å; I5-L8 PolarHBondContact O-N 2.86Å; K6-L8 PolarHBondContact O-N 3.39Å; L8-N11 PolarHBondContact O-N 3.16Å; L8-K12 PolarHBondContact O-N 3.46Å
9	R	87.3	Confident	82.5	Confident	179 Å²	179	136.4 Å²	136.4	68%	0.675	65%	0.647	S	S	*	*	H	α-helix	trans	-63.1	-44.5	173.7	-75.1	-179	176.9	-179.4	-2.1	112	I5 K6 N11 K12 L13	I5-R9 WeakPolarHBondContact O-CG 3.42Å; I5-R9 PolarHBondContact O-N 3.35Å; K6-R9 PolarHBondContact O-N 3.1Å; R9-N11 VanDerWaalsContact C-N 3.34Å; R9-N11 PolarHBondContact O-N 2.88Å; R9-K12 PolarHBondContact O-N 3.3Å; R9-L13 WeakPolarHBondContact O-CG 3.39Å; R9-L13 PolarHBondContact O-N 3.44Å; R9-L13 VanDerWaalsContact O-N 3.09Å
10	K	88.6	Confident	82.7	Confident	163 Å²	163	133.9 Å²	133.9	71%	0.709	64%	0.638	S	S	*	*	H	α-helix	trans	-60.8	-41.5	175.9	-172.8	174.3	-179.5	177.5	0	111.9	K6 K7 L13 S14	K6-K10 PolarHBondContact O-N 3.37Å; K7-K10 PolarHBondContact O-N 2.99Å; K10-L13 PolarHBondContact O-N 3.16Å; K10-S14 WeakPolarHBondContact O-CB 3.34Å; K10-S14 PolarHBondContact O-N 3.01Å
11	N	83.4	Confident	83	Confident	92 Å²	92	129.5 Å²	129.5	49%	0.492	63%	0.628	S	S	.	*	H	α-helix	trans	-64	-47.2	177.6	-164.6	-2.3	0	0	0	111.8	K7 L8 R9 L13 S14 M15	K7-N11 PolarHBondContact O-N 2.85Å; L8-N11 PolarHBondContact O-N 3.16Å; R9-N11 VanDerWaalsContact C-N 3.34Å; R9-N11 PolarHBondContact O-N 2.88Å; N11-L13 VanDerWaalsContact C-N 3.29Å; N11-L13 PolarHBondContact O-N 2.88Å; N11-S14 PolarHBondContact O-N 3.4Å; N11-M15 PolarHBondContact O-N 3.41Å
12	K	81.4	Confident	83.7	Confident	152 Å²	152	123.5 Å²	123.5	66%	0.661	61%	0.606	S	S	*	*	H	α-helix	trans	-59.1	-36.6	176.1	-75.7	-164.3	173.2	-163.9	0	113.7	L8 R9 R16	L8-K12 PolarHBondContact O-N 3.46Å; R9-K12 PolarHBondContact O-N 3.3Å; K12-R16 PolarHBondContact O-N 2.92Å
13	L	82.1	Confident	84.2	Confident	113 Å²	113	120.3 Å²	120.3	59%	0.592	59%	0.593	S	S	*	*	H	α-helix	trans	-68.4	-46.3	175.1	-71.1	166.5	0	0	0	111.3	R9 K10 N11 M15 R16 E17	R9-L13 WeakPolarHBondContact O-CG 3.39Å; R9-L13 PolarHBondContact O-N 3.44Å; R9-L13 VanDerWaalsContact O-N 3.09Å; K10-L13 PolarHBondContact O-N 3.16Å; N11-L13 VanDerWaalsContact C-N 3.29Å; N11-L13 PolarHBondContact O-N 2.88Å; L13-M15 PolarHBondContact O-N 3.46Å; L13-R16 WeakPolarHBondContact O-CB 3.23Å; L13-R16 PolarHBondContact O-N 3.1Å; L13-R16 VanDerWaalsContact O-N 3.12Å; L13-E17 WeakPolarHBondContact O-CB 3.41Å; L13-E17 PolarHBondContact O-N 3.02Å
14	S	80.5	Confident	84.7	Confident	66 Å²	66	115.5 Å²	115.5	46%	0.462	58%	0.579	S	S	.	*	H	α-helix	trans	-62.6	-39.5	178.3	178.8	0	0	0	0	113.2	K10 N11 R16 A18	K10-S14 WeakPolarHBondContact O-CB 3.34Å; K10-S14 PolarHBondContact O-N 3.01Å; N11-S14 PolarHBondContact O-N 3.4Å; S14-R16 VanDerWaalsContact C-N 3.31Å; S14-R16 PolarHBondContact O-N 3.33Å; S14-A18 WeakPolarHBondContact O-CB 3.4Å; S14-A18 PolarHBondContact O-N 2.84Å
15	M	76	Confident	85.3	Confident	132 Å²	132	113.1 Å²	113.1	65%	0.65	57%	0.571	S	S	*	*	H	α-helix	trans	-64.5	-35.2	173.6	-72.8	-175.2	70.6	0	0	112.5	N11 L13 G19	N11-M15 PolarHBondContact O-N 3.41Å; L13-M15 PolarHBondContact O-N 3.46Å; M15-G19 PolarHBondContact O-N 3.28Å
16	R	80.8	Confident	85.7	Confident	171 Å²	171	114.1 Å²	114.1	65%	0.645	58%	0.575	S	S	*	*	H	α-helix	trans	-69.7	-48.8	176.9	-176.2	-178.2	174.2	-160.9	-0	110.9	K12 L13 S14 A18 G19 D20	K12-R16 PolarHBondContact O-N 2.92Å; L13-R16 WeakPolarHBondContact O-CB 3.23Å; L13-R16 PolarHBondContact O-N 3.1Å; L13-R16 VanDerWaalsContact O-N 3.12Å; S14-R16 VanDerWaalsContact C-N 3.31Å; S14-R16 PolarHBondContact O-N 3.33Å; R16-A18 VanDerWaalsContact C-N 3.3Å; R16-A18 PolarHBondContact O-N 3.17Å; R16-G19 CarbonylContact O-C 3.55Å; R16-G19 WeakPolarHBondContact O-CA 3.34Å; R16-G19 PolarHBondContact O-N 3.46Å; R16-D20 IonicContact NE-OD2 3.59Å; R16-D20 VanDerWaalsContact O-CG 3.29Å; R16-D20 PolarHBondContact O-N 3.06Å
17	E	77.9	Confident	86	Confident	144 Å²	144	109.9 Å²	109.9	67%	0.673	56%	0.56	S	S	*	*	H	α-helix	trans	-58.8	-40	178.7	-170.3	173.6	-167	0	0	112.1	L13 D20 G21	L13-E17 WeakPolarHBondContact O-CB 3.41Å; L13-E17 PolarHBondContact O-N 3.02Å; E17-D20 PolarHBondContact O-N 2.76Å; E17-G21 PolarHBondContact O-N 3.35Å; E17-G21 VanDerWaalsContact O-N 3.1Å
18	A	74.6	Confident	86.4	Confident	69 Å²	69	106 Å²	106	57%	0.57	55%	0.554	S	S	*	*	H	α-helix	trans	-65.4	-35.9	172.2	0	0	0	0	0	113.2	S14 R16 L22	S14-A18 WeakPolarHBondContact O-CB 3.4Å; S14-A18 PolarHBondContact O-N 2.84Å; R16-A18 VanDerWaalsContact C-N 3.3Å; R16-A18 PolarHBondContact O-N 3.17Å; A18-L22 PolarHBondContact O-N 3.43Å
19	G	79.2	Confident	86.8	Confident	36 Å²	36	106.1 Å²	106.1	37%	0.371	55%	0.554	S	S	.	*	H	α-helix	trans	-71.4	-38.8	174.6	0	0	0	0	0	113.4	M15 R16 G21 L22 H23	M15-G19 PolarHBondContact O-N 3.28Å; R16-G19 CarbonylContact O-C 3.55Å; R16-G19 WeakPolarHBondContact O-CA 3.34Å; R16-G19 PolarHBondContact O-N 3.46Å; G19-G21 VanDerWaalsContact C-N 3.32Å; G19-G21 PolarHBondContact O-N 3.43Å; G19-L22 PolarHBondContact O-N 2.8Å; G19-H23 PolarHBondContact O-N 3.15Å
20	D	84.9	Confident	87.3	Confident	87 Å²	87	101.9 Å²	101.9	47%	0.465	54%	0.542	S	S	.	.	H	α-helix	trans	-63.9	-39	176.8	-66.4	-28.4	0	0	0	110.4	R16 E17 H23 A24	R16-D20 IonicContact NE-OD2 3.59Å; R16-D20 VanDerWaalsContact O-CG 3.29Å; R16-D20 PolarHBondContact O-N 3.06Å; E17-D20 PolarHBondContact O-N 2.76Å; D20-H23 PolarHBondContact O-N 2.97Å; D20-A24 PolarHBondContact O-N 3.43Å
21	G	88.9	Confident	87.7	Confident	41 Å²	41	95.2 Å²	95.2	42%	0.423	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-44.2	172.9	0	0	0	0	0	114	E17 G19 H23 A24 Q25	E17-G21 PolarHBondContact O-N 3.35Å; E17-G21 VanDerWaalsContact O-N 3.1Å; G19-G21 VanDerWaalsContact C-N 3.32Å; G19-G21 PolarHBondContact O-N 3.43Å; G21-H23 VanDerWaalsContact C-N 3.33Å; G21-H23 PolarHBondContact O-N 2.92Å; G21-A24 PolarHBondContact O-N 3.35Å; G21-Q25 PolarHBondContact O-N 3.46Å
22	L	91.6	Very high	88.3	Confident	98 Å²	98	93 Å²	93	51%	0.513	51%	0.514	S	S	.	.	H	α-helix	trans	-62	-41.2	174.5	176.9	63.2	0	0	0	111.6	A18 G19 Q25 M26	A18-L22 PolarHBondContact O-N 3.43Å; G19-L22 PolarHBondContact O-N 2.8Å; L22-Q25 PolarHBondContact O-N 2.95Å; L22-M26 HydrophobicContact CD1-CG 4.38Å; L22-M26 HydrophobicContact CG-SD 4.35Å; L22-M26 WeakPolarHBondContact O-CG 3.4Å; L22-M26 PolarHBondContact O-N 2.93Å
23	H	92.5	Very high	89.1	Confident	114 Å²	114	90.8 Å²	90.8	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-65	-41	178.2	-173.6	-126.8	0	0	0	111.9	G19 D20 G21 M26 N27	G19-H23 PolarHBondContact O-N 3.15Å; D20-H23 PolarHBondContact O-N 2.97Å; G21-H23 VanDerWaalsContact C-N 3.33Å; G21-H23 PolarHBondContact O-N 2.92Å; H23-M26 PolarHBondContact O-N 3.33Å; H23-N27 PolarHBondContact CE1-ND2 3.09Å; H23-N27 PolarHBondContact NE2-ND2 3.09Å; H23-N27 VanDerWaalsContact O-CG 3.3Å; H23-N27 PolarHBondContact O-N 2.71Å; H23-N27 PolarHBondContact O-ND2 3.31Å; H23-N27 VanDerWaalsContact O-ND2 3.08Å
24	A	93.4	Very high	89.8	Confident	60 Å²	60	91.3 Å²	91.3	50%	0.496	51%	0.508	S	S	.	.	H	α-helix	trans	-61.5	-43.4	172.4	0	0	0	0	0	112.1	D20 G21 N27 S28	D20-A24 PolarHBondContact O-N 3.43Å; G21-A24 PolarHBondContact O-N 3.35Å; A24-N27 PolarHBondContact O-N 3.3Å; A24-S28 WeakPolarHBondContact O-CB 3.17Å; A24-S28 PolarHBondContact O-N 3.22Å
25	Q	95.9	Very high	90.4	Very high	135 Å²	135	94.4 Å²	94.4	63%	0.631	52%	0.516	S	S	*	.	H	α-helix	trans	-61.7	-45.4	176.4	-173.6	-177.4	12.8	0	0	112.2	G21 L22 N27 S28 M29	G21-Q25 PolarHBondContact O-N 3.46Å; L22-Q25 PolarHBondContact O-N 2.95Å; Q25-N27 VanDerWaalsContact C-N 3.34Å; Q25-N27 PolarHBondContact O-N 3.25Å; Q25-S28 PolarHBondContact O-N 3.19Å; Q25-M29 WeakPolarHBondContact O-CB 3.34Å; Q25-M29 PolarHBondContact O-N 3.21Å
26	M	96	Very high	91.4	Very high	104 Å²	104	93.2 Å²	93.2	51%	0.512	51%	0.512	S	S	.	.	H	α-helix	trans	-61	-42	176.8	-74.1	-179.7	65.2	0	0	112.1	L22 H23 M29 M30	L22-M26 HydrophobicContact CD1-CG 4.38Å; L22-M26 HydrophobicContact CG-SD 4.35Å; L22-M26 WeakPolarHBondContact O-CG 3.4Å; L22-M26 PolarHBondContact O-N 2.93Å; H23-M26 PolarHBondContact O-N 3.33Å; M26-M29 PolarHBondContact O-N 3.18Å; M26-M30 VanDerWaalsContact O-CB 3.29Å; M26-M30 WeakPolarHBondContact O-CB 3.39Å; M26-M30 PolarHBondContact O-N 3.16Å
27	N	95.9	Very high	92.1	Very high	71 Å²	71	91.9 Å²	91.9	38%	0.38	51%	0.51	S	S	.	.	H	α-helix	trans	-68.4	-38.4	178.3	-69.8	-32.6	0	0	0	112	H23 A24 Q25 M30 G31	H23-N27 PolarHBondContact CE1-ND2 3.09Å; H23-N27 PolarHBondContact NE2-ND2 3.09Å; H23-N27 VanDerWaalsContact O-CG 3.3Å; H23-N27 PolarHBondContact O-N 2.71Å; H23-N27 PolarHBondContact O-ND2 3.31Å; H23-N27 VanDerWaalsContact O-ND2 3.08Å; A24-N27 PolarHBondContact O-N 3.3Å; Q25-N27 VanDerWaalsContact C-N 3.34Å; Q25-N27 PolarHBondContact O-N 3.25Å; N27-M30 PolarHBondContact O-N 3.11Å; N27-G31 PolarHBondContact O-N 3.39Å
28	S	95.4	Very high	92.9	Very high	88 Å²	88	90.6 Å²	90.6	62%	0.615	51%	0.508	S	S	*	.	H	α-helix	trans	-62.8	-46.3	173.2	175	0	0	0	0	112.1	A24 Q25 M30 G31 A32	A24-S28 WeakPolarHBondContact O-CB 3.17Å; A24-S28 PolarHBondContact O-N 3.22Å; Q25-S28 PolarHBondContact O-N 3.19Å; S28-M30 VanDerWaalsContact C-N 3.32Å; S28-M30 PolarHBondContact O-N 2.7Å; S28-G31 PolarHBondContact O-N 2.69Å; S28-A32 PolarHBondContact O-N 3.5Å
29	M	97	Very high	93.8	Very high	114 Å²	114	92 Å²	92	56%	0.562	51%	0.505	S	S	*	.	H	α-helix	trans	-61.8	-40	175.1	-178	-179.9	68	0	0	111.9	Q25 M26 A32 L33	Q25-M29 WeakPolarHBondContact O-CB 3.34Å; Q25-M29 PolarHBondContact O-N 3.21Å; M26-M29 PolarHBondContact O-N 3.18Å; M29-A32 PolarHBondContact O-N 3.4Å; M29-L33 HydrophobicContact CG-CD1 4.21Å; M29-L33 VanDerWaalsContact O-CG 3.3Å; M29-L33 WeakPolarHBondContact O-CG 3.42Å; M29-L33 PolarHBondContact O-N 3Å
30	M	96.8	Very high	94.5	Very high	90 Å²	90	97 Å²	97	44%	0.443	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-37.7	178.3	-171.1	-105.7	-63.6	0	0	112.1	M26 N27 S28 Q34	M26-M30 VanDerWaalsContact O-CB 3.29Å; M26-M30 WeakPolarHBondContact O-CB 3.39Å; M26-M30 PolarHBondContact O-N 3.16Å; N27-M30 PolarHBondContact O-N 3.11Å; S28-M30 VanDerWaalsContact C-N 3.32Å; S28-M30 PolarHBondContact O-N 2.7Å; M30-Q34 WeakPolarHBondContact O-CG 3.2Å; M30-Q34 PolarHBondContact O-N 2.98Å; M30-Q34 VanDerWaalsContact O-N 3.16Å; M30-Q34 PolarHBondContact SD-NE2 3.34Å
31	G	96.5	Very high	94.9	Very high	23 Å²	23	96.4 Å²	96.4	24%	0.237	52%	0.518	C	S	.	.	H	α-helix	trans	-62.3	-50.5	170.3	0	0	0	0	0	112.6	N27 S28 L33 Q34 E35	N27-G31 PolarHBondContact O-N 3.39Å; S28-G31 PolarHBondContact O-N 2.69Å; G31-L33 VanDerWaalsContact C-N 3.28Å; G31-L33 PolarHBondContact O-N 3.46Å; G31-Q34 WeakPolarHBondContact O-CA 3.45Å; G31-Q34 WeakPolarHBondContact O-CB 3.36Å; G31-Q34 PolarHBondContact O-N 3.48Å; G31-E35 PolarHBondContact O-N 2.92Å
32	A	96.8	Very high	95	Very high	45 Å²	45	100 Å²	100	37%	0.372	52%	0.524	S	S	.	.	H	α-helix	trans	-58.9	-37.3	177.9	0	0	0	0	0	112.9	S28 M29 Q34 E35 L36	S28-A32 PolarHBondContact O-N 3.5Å; M29-A32 PolarHBondContact O-N 3.4Å; A32-Q34 VanDerWaalsContact C-N 3.34Å; A32-E35 PolarHBondContact O-N 3.11Å; A32-L36 WeakPolarHBondContact O-CB 3.44Å; A32-L36 VanDerWaalsContact O-CG 3.3Å; A32-L36 WeakPolarHBondContact O-CG 3.4Å; A32-L36 PolarHBondContact O-N 3.03Å
33	L	97.9	Very high	94.8	Very high	105 Å²	105	99.3 Å²	99.3	55%	0.55	52%	0.524	S	S	.	.	H	α-helix	trans	-67.6	-31.6	174	-72	170.8	0	0	0	113	M29 G31 K37	M29-L33 HydrophobicContact CG-CD1 4.21Å; M29-L33 VanDerWaalsContact O-CG 3.3Å; M29-L33 WeakPolarHBondContact O-CG 3.42Å; M29-L33 PolarHBondContact O-N 3Å; G31-L33 VanDerWaalsContact C-N 3.28Å; G31-L33 PolarHBondContact O-N 3.46Å; L33-K37 WeakPolarHBondContact O-CB 3.42Å; L33-K37 PolarHBondContact O-N 3.22Å; L33-K37 VanDerWaalsContact O-N 3.11Å
34	Q	96.6	Very high	94.3	Very high	124 Å²	124	96.1 Å²	96.1	58%	0.579	52%	0.517	S	S	*	.	H	α-helix	trans	-71.5	-42.5	173.4	-71.6	175.1	4.3	0	0	111.7	M30 G31 A32 K37 L38	M30-Q34 WeakPolarHBondContact O-CG 3.2Å; M30-Q34 PolarHBondContact O-N 2.98Å; M30-Q34 VanDerWaalsContact O-N 3.16Å; M30-Q34 PolarHBondContact SD-NE2 3.34Å; G31-Q34 WeakPolarHBondContact O-CA 3.45Å; G31-Q34 WeakPolarHBondContact O-CB 3.36Å; G31-Q34 PolarHBondContact O-N 3.48Å; A32-Q34 VanDerWaalsContact C-N 3.34Å; Q34-K37 PolarHBondContact O-N 2.93Å; Q34-L38 PolarHBondContact O-N 2.63Å
35	E	94.8	Very high	93.8	Very high	131 Å²	131	98.3 Å²	98.3	61%	0.612	52%	0.52	S	S	*	.	H	α-helix	trans	-61.9	-46.1	175.1	-70.2	173.9	-170.7	0	0	111.5	G31 A32 K37 L38 L39	G31-E35 PolarHBondContact O-N 2.92Å; A32-E35 PolarHBondContact O-N 3.11Å; E35-K37 VanDerWaalsContact C-N 3.31Å; E35-K37 PolarHBondContact O-N 3.02Å; E35-L38 PolarHBondContact O-N 3.35Å; E35-L38 VanDerWaalsContact O-N 3.16Å; E35-L39 WeakPolarHBondContact O-CG 3.42Å; E35-L39 PolarHBondContact O-N 3.08Å
36	L	96.4	Very high	93.1	Very high	108 Å²	108	97.8 Å²	97.8	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-58.9	-40.4	173.9	-76.8	168	0	0	0	112.4	A32 L39 Q40	A32-L36 WeakPolarHBondContact O-CB 3.44Å; A32-L36 VanDerWaalsContact O-CG 3.3Å; A32-L36 WeakPolarHBondContact O-CG 3.4Å; A32-L36 PolarHBondContact O-N 3.03Å; L36-L39 PolarHBondContact O-N 3.45Å; L36-Q40 WeakPolarHBondContact O-CB 3.2Å; L36-Q40 PolarHBondContact O-N 3.02Å
37	K	94.7	Very high	92.2	Very high	143 Å²	143	96.2 Å²	96.2	62%	0.622	52%	0.516	S	S	*	.	H	α-helix	trans	-66.3	-39.6	175.7	-175.8	178.7	178.4	-177.9	0	111.9	L33 Q34 E35 Q40 V41	L33-K37 WeakPolarHBondContact O-CB 3.42Å; L33-K37 PolarHBondContact O-N 3.22Å; L33-K37 VanDerWaalsContact O-N 3.11Å; Q34-K37 PolarHBondContact O-N 2.93Å; E35-K37 VanDerWaalsContact C-N 3.31Å; E35-K37 PolarHBondContact O-N 3.02Å; K37-Q40 PolarHBondContact O-N 2.91Å; K37-V41 WeakPolarHBondContact O-CG2 3.36Å; K37-V41 PolarHBondContact O-N 3.06Å
38	L	95.4	Very high	90.9	Very high	117 Å²	117	98.6 Å²	98.6	61%	0.613	53%	0.529	S	S	*	.	H	α-helix	trans	-64.2	-46	176.3	-178.5	61.8	0	0	0	111	Q34 E35 Q40 V41 Q42	Q34-L38 PolarHBondContact O-N 2.63Å; E35-L38 PolarHBondContact O-N 3.35Å; E35-L38 VanDerWaalsContact O-N 3.16Å; L38-Q40 PolarHBondContact O-N 3.47Å; L38-V41 PolarHBondContact O-N 2.98Å; L38-Q42 WeakPolarHBondContact O-CB 3.37Å; L38-Q42 PolarHBondContact O-N 3.49Å
39	L	94.3	Very high	89.1	Confident	98 Å²	98	100.7 Å²	100.7	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-59.5	-45.5	174.4	-72.7	168.8	0	0	0	111.6	E35 L36 V41 Q42 T43	E35-L39 WeakPolarHBondContact O-CG 3.42Å; E35-L39 PolarHBondContact O-N 3.08Å; L36-L39 PolarHBondContact O-N 3.45Å; L39-V41 VanDerWaalsContact C-N 3.31Å; L39-V41 PolarHBondContact O-N 3.17Å; L39-Q42 PolarHBondContact O-N 3.33Å; L39-Q42 VanDerWaalsContact O-N 3.14Å; L39-T43 PolarHBondContact O-N 3.43Å; L39-T43 PolarHBondContact O-OG1 2.96Å; L39-T43 VanDerWaalsContact O-OG1 3.13Å
40	Q	93.9	Very high	87.2	Confident	142 Å²	142	102 Å²	102	66%	0.664	54%	0.541	S	S	*	.	H	α-helix	trans	-59.8	-40.4	177	-172.5	-178.7	17.3	0	0	112.3	L36 K37 L38 A44	L36-Q40 WeakPolarHBondContact O-CB 3.2Å; L36-Q40 PolarHBondContact O-N 3.02Å; K37-Q40 PolarHBondContact O-N 2.91Å; L38-Q40 PolarHBondContact O-N 3.47Å; Q40-A44 VanDerWaalsContact O-CB 3.28Å; Q40-A44 WeakPolarHBondContact O-CB 3.18Å; Q40-A44 PolarHBondContact O-N 2.9Å
41	V	91.9	Very high	85.1	Confident	74 Å²	74	102.9 Å²	102.9	45%	0.448	56%	0.556	S	S	.	*	H	α-helix	trans	-67.2	-40.8	175	169.6	0	0	0	0	111.2	K37 L38 L39 A44 L45	K37-V41 WeakPolarHBondContact O-CG2 3.36Å; K37-V41 PolarHBondContact O-N 3.06Å; L38-V41 PolarHBondContact O-N 2.98Å; L39-V41 VanDerWaalsContact C-N 3.31Å; L39-V41 PolarHBondContact O-N 3.17Å; V41-A44 PolarHBondContact O-N 3.5Å; V41-L45 HydrophobicContact CG1-CD1 3.97Å; V41-L45 WeakPolarHBondContact O-CG 3.12Å; V41-L45 PolarHBondContact O-N 2.73Å
42	Q	90.7	Very high	83	Confident	117 Å²	117	104.2 Å²	104.2	55%	0.547	57%	0.569	S	S	.	*	H	α-helix	trans	-63.9	-46.9	177.1	-174.8	173.8	-11.9	0	0	111.8	L38 L39 A44 L45 E46	L38-Q42 WeakPolarHBondContact O-CB 3.37Å; L38-Q42 PolarHBondContact O-N 3.49Å; L39-Q42 PolarHBondContact O-N 3.33Å; L39-Q42 VanDerWaalsContact O-N 3.14Å; Q42-A44 VanDerWaalsContact C-N 3.31Å; Q42-A44 PolarHBondContact O-N 3Å; Q42-L45 PolarHBondContact O-N 3.02Å; Q42-E46 WeakPolarHBondContact O-CB 3.08Å; Q42-E46 PolarHBondContact O-N 2.9Å
43	T	88.3	Confident	81	Confident	83 Å²	83	112.8 Å²	112.8	51%	0.509	59%	0.592	S	S	.	*	H	α-helix	trans	-64.5	-34.2	174.7	-54.9	0	0	0	0	112	L39 S47	L39-T43 PolarHBondContact O-N 3.43Å; L39-T43 PolarHBondContact O-OG1 2.96Å; L39-T43 VanDerWaalsContact O-OG1 3.13Å; T43-S47 WeakPolarHBondContact O-CB 3.41Å; T43-S47 PolarHBondContact O-N 3.38Å; T43-S47 PolarHBondContact O-OG 2.72Å
44	A	81.4	Confident	78.6	Confident	47 Å²	47	113.4 Å²	113.4	39%	0.388	60%	0.602	S	S	.	*	H	α-helix	trans	-66	-42.2	173.7	0	0	0	0	0	112	Q40 V41 Q42 S47 L48	Q40-A44 VanDerWaalsContact O-CB 3.28Å; Q40-A44 WeakPolarHBondContact O-CB 3.18Å; Q40-A44 PolarHBondContact O-N 2.9Å; V41-A44 PolarHBondContact O-N 3.5Å; Q42-A44 VanDerWaalsContact C-N 3.31Å; Q42-A44 PolarHBondContact O-N 3Å; A44-S47 WeakPolarHBondContact CA-OG 3.4Å; A44-S47 PolarHBondContact O-N 2.81Å; A44-S47 PolarHBondContact O-OG 2.84Å; A44-L48 WeakPolarHBondContact O-CD1 3.24Å; A44-L48 PolarHBondContact O-N 3.18Å; A44-L48 VanDerWaalsContact O-N 3.08Å
45	L	83.3	Confident	76.5	Confident	105 Å²	105	114.6 Å²	114.6	55%	0.55	61%	0.611	S	S	.	*	H	α-helix	trans	-63.7	-47.6	173.8	-76.1	159.3	0	0	0	111.7	V41 Q42 S47 L48 D49	V41-L45 HydrophobicContact CG1-CD1 3.97Å; V41-L45 WeakPolarHBondContact O-CG 3.12Å; V41-L45 PolarHBondContact O-N 2.73Å; Q42-L45 PolarHBondContact O-N 3.02Å; L45-S47 VanDerWaalsContact C-N 3.32Å; L45-S47 PolarHBondContact O-N 3.17Å; L45-L48 WeakPolarHBondContact O-CB 3.47Å; L45-L48 PolarHBondContact O-N 3.41Å; L45-D49 PolarHBondContact O-N 2.91Å
46	E	82.3	Confident	74.3	Confident	124 Å²	124	116 Å²	116	58%	0.579	62%	0.623	S	S	*	*	H	α-helix	trans	-57.9	-42.2	176.6	-175.6	178.2	-176	0	0	112.1	Q42 L48 D49 I50	Q42-E46 WeakPolarHBondContact O-CB 3.08Å; Q42-E46 PolarHBondContact O-N 2.9Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 3.24Å; E46-D49 PolarHBondContact O-N 3.42Å; E46-I50 WeakPolarHBondContact O-CG1 3.49Å
47	S	77.3	Confident	71.9	Confident	71 Å²	71	121.2 Å²	121.2	50%	0.497	64%	0.635	S	S	.	*	H	α-helix	trans	-70.6	-24.4	175.6	63.5	0	0	0	0	114.2	T43 A44 L45	T43-S47 WeakPolarHBondContact O-CB 3.41Å; T43-S47 PolarHBondContact O-N 3.38Å; T43-S47 PolarHBondContact O-OG 2.72Å; A44-S47 WeakPolarHBondContact CA-OG 3.4Å; A44-S47 PolarHBondContact O-N 2.81Å; A44-S47 PolarHBondContact O-OG 2.84Å; L45-S47 VanDerWaalsContact C-N 3.32Å; L45-S47 PolarHBondContact O-N 3.17Å
48	L	67.7	Low	69.4	Low	121 Å²	121	118 Å²	118	63%	0.634	64%	0.643	S	S	*	*	H	α-helix	trans	-76.4	-41.4	173.2	-104.9	75.1	0	0	0	112.2	A44 L45 E46 I50 S51	A44-L48 WeakPolarHBondContact O-CD1 3.24Å; A44-L48 PolarHBondContact O-N 3.18Å; A44-L48 VanDerWaalsContact O-N 3.08Å; L45-L48 WeakPolarHBondContact O-CB 3.47Å; L45-L48 PolarHBondContact O-N 3.41Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 3.24Å; L48-I50 PolarHBondContact O-N 3.18Å; L48-S51 PolarHBondContact O-N 2.98Å
49	D	58.2	Low	67.2	Low	133 Å²	133	118.3 Å²	118.3	71%	0.711	64%	0.644	S	S	*	*	H	α-helix	trans	-63.9	-21.3	-178.2	-85.8	-17.9	0	0	0	113	L45 E46 S51 G52	L45-D49 PolarHBondContact O-N 2.91Å; E46-D49 PolarHBondContact O-N 3.42Å; D49-S51 VanDerWaalsContact C-N 3.32Å; D49-S51 PolarHBondContact O-N 2.86Å; D49-G52 PolarHBondContact O-N 3.45Å
50	I	57.1	Low	64.7	Low	141 Å²	141	119.2 Å²	119.2	72%	0.723	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-21.3	174.5	-61.7	165.4	0	0	0	112.2	E46 L48	E46-I50 WeakPolarHBondContact O-CG1 3.49Å; L48-I50 PolarHBondContact O-N 3.18Å
51	S	52.5	Low	62.1	Low	109 Å²	109	121 Å²	121	76%	0.762	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-7.4	175	-172.1	0	0	0	0	113.4	L48 D49	L48-S51 PolarHBondContact O-N 2.98Å; D49-S51 VanDerWaalsContact C-N 3.32Å; D49-S51 PolarHBondContact O-N 2.86Å
52	G	51.1	Low	59.8	Low	50 Å²	50	122.8 Å²	122.8	52%	0.515	68%	0.677	S	S	.	*	S	Bend	trans	-80	116.1	174.9	0	0	0	0	0	111.2	D49	D49-G52 PolarHBondContact O-N 3.45Å
53	R	54.8	Low	57	Low	226 Å²	226	122 Å²	122	85%	0.853	69%	0.69	S	S	*	*			trans	-48.4	137.3	172.3	-75.9	-178.6	171.1	-148	-1.4	110.5	I55	R53-I55 VanDerWaalsContact C-N 3.3Å; R53-I55 PolarHBondContact O-N 2.86Å
54	P	48.9	Very low	54.5	Low	118 Å²	118	123.3 Å²	123.3	77%	0.766	70%	0.703	S	S	*	*			trans	-65.3	95.6	162.8	28.1	-32.6	0	0	0	108.5	N56	P54-N56 PolarHBondContact O-N 3.3Å
55	I	51.4	Low	52.3	Low	149 Å²	149	127.5 Å²	127.5	76%	0.764	72%	0.723	S	S	*	*			trans	-60.4	120.8	163.4	-66.5	174.9	0	0	0	105.5	R53 R57	R53-I55 VanDerWaalsContact C-N 3.3Å; R53-I55 PolarHBondContact O-N 2.86Å; I55-R57 VanDerWaalsContact C-N 3.28Å; I55-R57 PolarHBondContact O-N 2.73Å
56	N	49.3	Very low	50	Low	159 Å²	159	129.5 Å²	129.5	85%	0.85	74%	0.74	S	S	*	*			trans	-59.5	88.2	-177.8	-85.3	-104.3	0	0	0	110.1	P54 G58	P54-N56 PolarHBondContact O-N 3.3Å; N56-G58 PolarHBondContact O-N 2.99Å
57	R	46.5	Very low	47.6	Very low	218 Å²	218	127.8 Å²	127.8	82%	0.823	75%	0.747	S	S	*	*			trans	-75.4	85.4	159.9	-85.2	-172.9	167.5	168.5	-2.1	107.2	I55 I59	I55-R57 VanDerWaalsContact C-N 3.28Å; I55-R57 PolarHBondContact O-N 2.73Å; R57-I59 VanDerWaalsContact C-N 3.31Å; R57-I59 HydrophobicContact CB-CD1 4.42Å; R57-I59 HydrophobicContact CB-CG1 4.42Å; R57-I59 PolarHBondContact O-N 3.3Å
58	G	42.1	Very low	45.5	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	76%	0.76	S	S	*	*			trans	-58.5	97.9	162.2	0	0	0	0	0	108.8	N56	N56-G58 PolarHBondContact O-N 2.99Å
59	I	47.7	Very low	43.9	Very low	124 Å²	124	133.1 Å²	133.1	64%	0.636	77%	0.765	S	S	*	*			trans	-113.5	112	167.5	-62	169.9	0	0	0	104.7	R57 H61	R57-I59 VanDerWaalsContact C-N 3.31Å; R57-I59 HydrophobicContact CB-CD1 4.42Å; R57-I59 HydrophobicContact CB-CG1 4.42Å; R57-I59 PolarHBondContact O-N 3.3Å; I59-H61 PolarHBondContact O-N 2.78Å
60	P	43.6	Very low	42.8	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	77%	0.771	S	S	*	*			trans	-67.3	121.5	175.2	27.2	-31.7	0	0	0	108.8	P62	P60-P62 WeakPolarHBondContact O-CD 3.48Å
61	H	37.7	Very low	41.5	Very low	179 Å²	179	130 Å²	130	83%	0.829	77%	0.771	S	S	*	*			trans	-63.4	126.2	172.4	-77.6	-75	0	0	0	110.4	I59 A63	I59-H61 PolarHBondContact O-N 2.78Å; H61-A63 PolarHBondContact O-N 2.78Å
62	P	43.7	Very low	40.4	Very low	112 Å²	112	129.2 Å²	129.2	73%	0.727	77%	0.771	S	S	*	*			trans	-73.9	103	160.7	29.9	-30.5	0	0	0	108.6	P60 S64	P60-P62 WeakPolarHBondContact O-CD 3.48Å; P62-S64 PolarHBondContact O-N 3.31Å; P62-S64 PolarHBondContact O-OG 3.14Å
63	A	32.9	Very low	39.5	Very low	100 Å²	100	132.1 Å²	132.1	83%	0.826	78%	0.784	S	S	*	*			trans	-61	121.1	177.9	0	0	0	0	0	110.6	H61	H61-A63 PolarHBondContact O-N 2.78Å
64	S	35	Very low	38.4	Very low	111 Å²	111	125.3 Å²	125.3	78%	0.776	78%	0.776	S	S	*	*			trans	-115.4	73.3	-179.6	-61.2	0	0	0	0	110.7	P62	P62-S64 PolarHBondContact O-N 3.31Å; P62-S64 PolarHBondContact O-OG 3.14Å
65	T	36	Very low	37.6	Very low	134 Å²	134	128.3 Å²	128.3	82%	0.822	78%	0.784	S	S	*	*			trans	-142.2	86.4	167.9	-41.9	0	0	0	0	110.8	A67	T65-A67 PolarHBondContact O-N 2.87Å
66	T	35.2	Very low	36.4	Very low	148 Å²	148	124.6 Å²	124.6	91%	0.908	78%	0.783	S	S	*	*			trans	-76.3	116.6	171.8	-55	0	0	0	0	109.9
67	A	31.6	Very low	35.6	Very low	87 Å²	87	125 Å²	125	72%	0.719	78%	0.784	S	S	*	*			trans	-125.4	95	165.6	0	0	0	0	0	110.4	T65	T65-A67 PolarHBondContact O-N 2.87Å
68	Q	33.7	Very low	34.8	Very low	165 Å²	165	118.9 Å²	118.9	77%	0.771	78%	0.775	S	S	*	*			trans	66.3	121.6	150.6	-60.7	-131.6	-59.9	0	0	121.9
69	L	33.1	Very low	34.3	Very low	140 Å²	140	122.1 Å²	122.1	73%	0.733	77%	0.769	S	S	*	*			trans	76.6	142.4	133.6	-65.5	168.7	0	0	0	120.9
70	S	34.1	Very low	33.6	Very low	121 Å²	121	123.5 Å²	123.5	85%	0.846	77%	0.771	S	S	*	*			trans	66.2	159.3	172.6	77.7	0	0	0	0	116.7
71	A	30.1	Very low	33	Very low	88 Å²	88	125 Å²	125	73%	0.727	77%	0.767	S	S	*	*			cis	-170.2	153.6	-39.7	0	0	0	0	0	107.3
72	A	30.3	Very low	32.6	Very low	92 Å²	92	123.8 Å²	123.8	76%	0.76	76%	0.762	S	S	*	*			trans	64.6	131.9	156.4	0	0	0	0	0	120.9
73	S	32.8	Very low	31.9	Very low	111 Å²	111	122.5 Å²	122.5	78%	0.776	76%	0.756	S	S	*	*			trans	74.9	101.3	134.4	-62	0	0	0	0	122.4
74	A	31.2	Very low	31.8	Very low	83 Å²	83	123.7 Å²	123.7	69%	0.686	75%	0.752	S	S	*	*				69.8	127.9	101.5	0	0	0	0	0	122.6
75	L	31.3	Very low	31.6	Very low	180 Å²	180	127.4 Å²	127.4	94%	0.942	76%	0.758	S	S	*	*			trans	77.1	155.2	142.4	-63.8	163.9	0	0	0	120.9
76	G	27.5	Very low	31.4	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	76%	0.761	S	S	*	*			trans	100	101.5	170.8	0	0	0	0	0	113.8
77	L	30.7	Very low	31.7	Very low	167 Å²	167	129.9 Å²	129.9	87%	0.874	75%	0.748	S	S	*	*			cis	83.6	138.7	31.2	-154.1	138.8	0	0	0	114.3
78	S	31.4	Very low	31.5	Very low	90 Å²	90	131.4 Å²	131.4	63%	0.629	75%	0.748	S	S	*	*			trans	68.2	147.1	179	-82.8	0	0	0	0	117.8
79	E	31.1	Very low	31.7	Very low	145 Å²	145	131.6 Å²	131.6	68%	0.678	75%	0.751	S	S	*	*			cis	-177	171.5	-27.2	-127.9	-179.1	117.5	0	0	110.6
80	K	31.8	Very low	32.5	Very low	152 Å²	152	129.9 Å²	129.9	66%	0.661	75%	0.748	S	S	*	*			trans	83.8	128.9	140.2	-90.5	175.3	175.5	175.2	0	123.8
81	H	31.7	Very low	32.3	Very low	148 Å²	148	132.5 Å²	132.5	69%	0.685	75%	0.747	S	S	*	*			trans	58.4	145.3	151.7	-64.1	-75.1	0	0	0	117.4
82	E	30.3	Very low	32.5	Very low	155 Å²	155	135.3 Å²	135.3	72%	0.724	75%	0.745	S	S	*	*			cis	-168.4	173.4	-21.8	-123.6	-171.6	82.2	0	0	107.4
83	S	28.4	Very low	33	Very low	85 Å²	85	135.9 Å²	135.9	59%	0.594	74%	0.741	S	S	*	*			cis	-152.3	-171.3	7.1	-154.4	0	0	0	0	113.6
84	V	29.8	Very low	33.1	Very low	124 Å²	124	134.3 Å²	134.3	75%	0.752	73%	0.73	S	S	*	*			trans	-31.6	123.2	170.8	178.8	0	0	0	0	117.6
85	Q	31.2	Very low	33	Very low	190 Å²	190	137.4 Å²	137.4	89%	0.888	74%	0.741	S	S	*	*				-164.8	142.4	111.1	-99.7	-179.6	17.2	0	0	112.1
86	R	31.3	Very low	33.1	Very low	237 Å²	237	134 Å²	134	89%	0.894	73%	0.732	S	S	*	*			trans	-153.2	165.6	-178.8	-136.2	-162.3	168.9	170.6	-1.3	105
87	P	42.9	Very low	34	Very low	97 Å²	97	136.1 Å²	136.1	63%	0.63	73%	0.733	S	S	*	*			cis	-151.3	-173.1	9.1	47.3	-27.8	0	0	0	118.5
88	T	27.6	Very low	34.3	Very low	118 Å²	118	134.6 Å²	134.6	72%	0.724	73%	0.73	S	S	*	*			trans	79.7	106.6	140.9	-57.6	0	0	0	0	120.5
89	M	37.6	Very low	34.8	Very low	170 Å²	170	135.7 Å²	135.7	84%	0.837	74%	0.735	S	S	*	*			trans	-78.8	156.4	141.7	-63.6	-73.2	-67.2	0	0	109.7
90	P	48.5	Very low	34.8	Very low	103 Å²	103	133.9 Å²	133.9	67%	0.669	74%	0.738	S	S	*	*				-141.7	177.4	105.8	42	-29.2	0	0	0	110.9
91	E	30.2	Very low	35	Very low	177 Å²	177	135.3 Å²	135.3	83%	0.827	75%	0.753	S	S	*	*			cis	-153.3	163.5	5.4	-151	174.2	100.7	0	0	108.7
92	E	34.9	Very low	35.2	Very low	146 Å²	146	139.6 Å²	139.6	68%	0.682	76%	0.762	S	S	*	*			trans	-116.6	143.7	166.5	-138.2	-94.6	138.2	0	0	106	S94	E92-S94 VanDerWaalsContact CD-N 3.26Å; E92-S94 PolarHBondContact OE1-N 3.39Å; E92-S94 PolarHBondContact OE2-N 3.34Å
93	P	41.6	Very low	35.5	Very low	104 Å²	104	140.6 Å²	140.6	68%	0.675	77%	0.772	S	S	*	*				-152.4	134.9	98	35.4	-15.9	0	0	0	117.7
94	S	33.1	Very low	35.5	Very low	78 Å²	78	141.8 Å²	141.8	55%	0.545	78%	0.781	S	S	.	*				57.8	114.6	125.8	-59.8	0	0	0	0	120.5	E92	E92-S94 VanDerWaalsContact CD-N 3.26Å; E92-S94 PolarHBondContact OE1-N 3.39Å; E92-S94 PolarHBondContact OE2-N 3.34Å
95	T	30.5	Very low	36.3	Very low	148 Å²	148	144 Å²	144	91%	0.908	79%	0.787	S	S	*	*				-179.9	138.2	110.3	25	0	0	0	0	113
96	S	33.7	Very low	36.3	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	77%	0.774	S	S	*	*			trans	-89.5	156.4	161.5	82.2	0	0	0	0	109.3
97	P	45.2	Very low	36.3	Very low	117 Å²	117	134.8 Å²	134.8	76%	0.76	77%	0.771	S	S	*	*				-146.3	177.8	56.3	37	-15.3	0	0	0	117.3
98	V	37.4	Very low	36	Very low	134 Å²	134	139.4 Å²	139.4	81%	0.812	78%	0.776	S	S	*	*			trans	-50.1	152.8	172.5	-119.6	0	0	0	0	113.8
99	P	42.5	Very low	36.3	Very low	113 Å²	113	142 Å²	142	73%	0.734	79%	0.786	S	S	*	*				-154.1	166.1	77.9	41.6	-22.2	0	0	0	119.6
100	S	30.6	Very low	36	Very low	107 Å²	107	139 Å²	139	75%	0.748	78%	0.781	S	S	*	*			trans	62.9	112.4	145.6	-66	0	0	0	0	121.9	R102	S100-R102 PolarHBondContact O-N 2.86Å
101	L	36.4	Very low	35.3	Very low	183 Å²	183	141.9 Å²	141.9	96%	0.958	79%	0.79	S	S	*	*			trans	-60.7	123.4	154.2	-66.1	165.7	0	0	0	111
102	R	35.3	Very low	35.2	Very low	237 Å²	237	138 Å²	138	89%	0.894	78%	0.783	S	S	*	*			trans	-126.2	118.2	156.4	-79.1	-165.7	169.9	-167.2	-2	109.4	S100 S104	S100-R102 PolarHBondContact O-N 2.86Å; R102-S104 PolarHBondContact O-N 3.37Å
103	L	37.7	Very low	35.1	Very low	176 Å²	176	141.4 Å²	141.4	92%	0.921	79%	0.789	S	S	*	*			trans	-72.5	110.8	170.7	-69.4	166.7	0	0	0	108.3
104	S	27.3	Very low	34.6	Very low	111 Å²	111	144.1 Å²	144.1	78%	0.776	80%	0.798	S	S	*	*			trans	-91	112.7	173.3	-162.8	0	0	0	0	109.3	R102 D106	R102-S104 PolarHBondContact O-N 3.37Å; S104-D106 PolarHBondContact O-N 2.9Å
105	L	47.3	Very low	34.7	Very low	170 Å²	170	146.8 Å²	146.8	89%	0.89	81%	0.806	S	S	*	*			trans	-84.4	100.3	168.4	-119.5	82.3	0	0	0	108.6
106	D	31.6	Very low	34.8	Very low	113 Å²	113	149 Å²	149	60%	0.604	81%	0.806	S	S	*	*			trans	-156.2	108.7	165	-129.4	-55.1	0	0	0	108.9	S104 R108	S104-D106 PolarHBondContact O-N 2.9Å; D106-R108 IonicContact OD1-CZ 2.63Å; D106-R108 IonicContact OD1-NE 2.67Å; D106-R108 PolarHBondContact OD1-NE 3.46Å; D106-R108 IonicContact OD1-NH2 3.77Å; D106-R108 PolarHBondContact OD1-NH2 2.9Å
107	S	30	Very low	34.7	Very low	121 Å²	121	150 Å²	150	85%	0.846	81%	0.808	S	S	*	*				-158.4	131.2	129.4	-160.9	0	0	0	0	110.4
108	R	37.2	Very low	34	Very low	193 Å²	193	150.1 Å²	150.1	73%	0.728	81%	0.812	S	S	*	*			trans	-80.1	153	176.2	-73.4	149.5	-98.6	172	-8.6	109.5	D106	D106-R108 IonicContact OD1-CZ 2.63Å; D106-R108 IonicContact OD1-NE 2.67Å; D106-R108 PolarHBondContact OD1-NE 3.46Å; D106-R108 IonicContact OD1-NH2 3.77Å; D106-R108 PolarHBondContact OD1-NH2 2.9Å
109	N	32.8	Very low	33.9	Very low	173 Å²	173	149.2 Å²	149.2	93%	0.925	81%	0.811	S	S	*	*			trans	-136.9	132.2	143.6	-115.7	-8.9	0	0	0	109.6
110	S	32.3	Very low	33.3	Very low	107 Å²	107	155.3 Å²	155.3	75%	0.748	82%	0.82	S	S	*	*			trans	-144.1	131	-178.5	178.1	0	0	0	0	107.2
111	L	33.3	Very low	33.3	Very low	163 Å²	163	157.4 Å²	157.4	85%	0.853	82%	0.822	S	S	*	*			trans	-178.4	109.4	163.2	-94.6	146.3	0	0	0	105
112	S	28	Very low	33.2	Very low	96 Å²	96	159.9 Å²	159.9	67%	0.671	82%	0.819	S	S	*	*				85.7	94.1	93.8	-170.1	0	0	0	0	111
113	R	34.2	Very low	33	Very low	217 Å²	217	153.2 Å²	153.2	82%	0.819	81%	0.809	S	S	*	*				77.8	113.3	83.9	-173.2	-170.8	-167.1	-158	3.3	111
114	D	30.4	Very low	32.9	Very low	161 Å²	161	150.4 Å²	150.4	86%	0.861	80%	0.804	S	S	*	*				-159	154.3	123.5	-96.1	-25.7	0	0	0	111.8
115	D	34.1	Very low	33.4	Very low	135 Å²	135	153.3 Å²	153.3	72%	0.722	81%	0.808	S	S	*	*			trans	-122.5	134.6	-165.4	-167	-2.5	0	0	0	108
116	Q	33.6	Very low	32.6	Very low	194 Å²	194	148.1 Å²	148.1	91%	0.907	80%	0.795	S	S	*	*			trans	-159	142	159	-120.7	171.1	112.3	0	0	113.4
117	T	32	Very low	32.4	Very low	130 Å²	130	152.9 Å²	152.9	80%	0.798	81%	0.81	S	S	*	*			trans	-92.8	143	-162.8	48.3	0	0	0	0	112.8
118	S	29.6	Very low	32.4	Very low	119 Å²	119	156.5 Å²	156.5	83%	0.832	81%	0.811	S	S	*	*			trans	-152.1	101.8	152.9	-160.1	0	0	0	0	111
119	S	36.6	Very low	32.2	Very low	115 Å²	115	153.1 Å²	153.1	80%	0.804	82%	0.817	S	S	*	*			trans	-81.5	125	171.2	50	0	0	0	0	110.1
120	R	28.7	Very low	32.1	Very low	241 Å²	241	150.6 Å²	150.6	91%	0.909	81%	0.813	S	S	*	*			trans	-146.2	101.5	161.7	-156.8	159.4	-176.5	158.9	-1.1	112.9
121	N	32.3	Very low	32.1	Very low	150 Å²	150	151.7 Å²	151.7	80%	0.802	82%	0.821	S	S	*	*			trans	-54.6	139.7	170.1	-60.1	-50.4	0	0	0	111.7
122	R	33.3	Very low	31.9	Very low	235 Å²	235	148.7 Å²	148.7	89%	0.887	82%	0.819	S	S	*	*				-170.5	129.7	126.6	-105.5	160.4	-173.3	-118.3	-1.6	114.7
123	S	31.5	Very low	32.1	Very low	97 Å²	97	149.3 Å²	149.3	68%	0.678	82%	0.824	S	S	*	*			trans	56.6	103.4	151.3	52.1	0	0	0	0	120.4
124	S	35.3	Very low	31.8	Very low	118 Å²	118	144.7 Å²	144.7	83%	0.825	83%	0.825	S	S	*	*			trans	-51.1	143.5	144.1	172.3	0	0	0	0	112.3
125	M	36.8	Very low	31.9	Very low	172 Å²	172	143.8 Å²	143.8	85%	0.847	82%	0.819	S	S	*	*			trans	-139.1	110.5	156.4	-66.3	-169.2	-178.5	0	0	108.3
126	G	31.6	Very low	31.7	Very low	60 Å²	60	146.1 Å²	146.1	62%	0.619	83%	0.826	S	S	*	*			trans	-84.7	139.2	178.8	0	0	0	0	0	112
127	F	28.2	Very low	31.5	Very low	213 Å²	213	141.3 Å²	141.3	93%	0.934	81%	0.814	S	S	*	*			trans	-93.4	105	165.1	-103.3	-95.2	0	0	0	109.3
128	F	30	Very low	31.4	Very low	198 Å²	198	144.3 Å²	144.3	87%	0.868	82%	0.818	S	S	*	*			trans	-91.2	126.9	164.4	-78	-78.7	0	0	0	109.5
129	S	32.5	Very low	31.4	Very low	121 Å²	121	143.8 Å²	143.8	85%	0.846	82%	0.815	S	S	*	*			trans	-70.5	134.3	159.2	-66.7	0	0	0	0	109.6
130	S	29.3	Very low	31.2	Very low	121 Å²	121	147.3 Å²	147.3	85%	0.846	82%	0.819	S	S	*	*			trans	-150.7	128.4	154.9	-88.3	0	0	0	0	110.2
131	S	32.9	Very low	31.3	Very low	130 Å²	130	141.3 Å²	141.3	91%	0.909	81%	0.813	S	S	*	*			trans	-72	143	169	-50.4	0	0	0	0	110.2
132	A	29.4	Very low	31.2	Very low	99 Å²	99	142.9 Å²	142.9	82%	0.818	82%	0.816	S	S	*	*			trans	-142.2	131.3	162.3	0	0	0	0	0	110.1
133	S	31.5	Very low	31.1	Very low	109 Å²	109	136.6 Å²	136.6	76%	0.762	81%	0.808	S	S	*	*			trans	-67.5	143.2	169.9	47.5	0	0	0	0	111.3
134	S	27.9	Very low	31.1	Very low	121 Å²	121	140.4 Å²	140.4	85%	0.846	82%	0.815	S	S	*	*			trans	-119	127.8	160.1	-156.6	0	0	0	0	109.5
135	L	33.9	Very low	31	Very low	142 Å²	142	146.1 Å²	146.1	74%	0.743	82%	0.819	S	S	*	*			trans	-111.9	-172.8	171.3	-46.5	174.6	0	0	0	107.5
136	E	28.7	Very low	30.6	Very low	183 Å²	183	143.8 Å²	143.8	86%	0.855	82%	0.82	S	S	*	*			trans	73.8	137.7	177.5	-48.5	-148.6	111.7	0	0	114.2
137	S	29.8	Very low	30.6	Very low	94 Å²	94	144 Å²	144	66%	0.657	82%	0.822	S	S	*	*			cis	-143.8	177.6	-8.3	-102.1	0	0	0	0	106.9
138	E	29.8	Very low	30.8	Very low	192 Å²	192	140.8 Å²	140.8	90%	0.897	82%	0.819	S	S	*	*			cis	-166.5	164.7	47.5	48.8	-149.4	35.2	0	0	111.7
139	S	30	Very low	30.8	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	81%	0.813	S	S	*	*			trans	-121	137.4	-164.2	54.6	0	0	0	0	112.7
140	E	31.6	Very low	30.9	Very low	190 Å²	190	136.7 Å²	136.7	89%	0.888	81%	0.81	S	S	*	*			trans	-144.4	124.3	150.2	-67	-159.7	124	0	0	111.5
141	S	31.9	Very low	31	Very low	114 Å²	114	142.3 Å²	142.3	80%	0.797	81%	0.813	S	S	*	*			trans	24.1	141.7	139.8	-42.6	0	0	0	0	120.6
142	E	30	Very low	30.9	Very low	183 Å²	183	141.4 Å²	141.4	86%	0.855	81%	0.807	S	S	*	*			cis	-152.9	142	29.4	-74	-174.3	86.6	0	0	115
143	S	30.5	Very low	31	Very low	104 Å²	104	145.8 Å²	145.8	73%	0.727	81%	0.81	S	S	*	*			trans	51.5	138.7	131.6	-133.5	0	0	0	0	125.7
144	Q	31.2	Very low	31.2	Very low	176 Å²	176	147.9 Å²	147.9	82%	0.822	81%	0.813	S	S	*	*			trans	87.4	79.8	154.1	-48.6	-153.8	17.7	0	0	122.3
145	R	32.6	Very low	31.3	Very low	238 Å²	238	148.4 Å²	148.4	90%	0.898	81%	0.806	S	S	*	*				47.3	99.5	110.9	-162.4	-169.7	-152.5	-154.4	7.6	119.2
146	S	30.4	Very low	31.8	Very low	124 Å²	124	149.6 Å²	149.6	87%	0.867	81%	0.812	S	S	*	*				-176.5	151.7	122.6	-81.4	0	0	0	0	111.2
147	G	30.9	Very low	32.5	Very low	64 Å²	64	148.8 Å²	148.8	66%	0.66	81%	0.808	S	S	*	*			trans	-100.8	-166.1	-173.8	0	0	0	0	0	115.4
148	T	33.1	Very low	32.8	Very low	145 Å²	145	149.7 Å²	149.7	89%	0.89	81%	0.814	S	S	*	*			trans	100.2	140.7	172.2	71.5	0	0	0	0	118.9
149	S	30	Very low	33.5	Very low	106 Å²	106	148 Å²	148	74%	0.741	81%	0.809	S	S	*	*			trans	60.1	96.2	157	-76.7	0	0	0	0	122.6
150	T	33.7	Very low	34.1	Very low	127 Å²	127	148.9 Å²	148.9	78%	0.779	81%	0.812	S	S	*	*				33.3	118.6	117.3	59.2	0	0	0	0	121
151	R	30.4	Very low	34.8	Very low	240 Å²	240	149.8 Å²	149.8	91%	0.906	81%	0.813	S	S	*	*			trans	62.7	88.8	132.6	-167.4	-179.8	-178.9	-176.4	-0.9	117.1
152	S	31.9	Very low	35.4	Very low	111 Å²	111	155.5 Å²	155.5	78%	0.776	82%	0.818	S	S	*	*			trans	-71.4	142.8	166	46.8	0	0	0	0	113
153	E	31.3	Very low	35.6	Very low	191 Å²	191	157.6 Å²	157.6	89%	0.893	82%	0.818	S	S	*	*			trans	-83.8	124	176.2	-67.5	163.5	96.8	0	0	111.3	N155	E153-N155 PolarHBondContact O-N 2.85Å
154	N	35.4	Very low	36	Very low	152 Å²	152	158 Å²	158	81%	0.813	82%	0.82	S	S	*	*			trans	-88.3	97.4	173.4	37.3	-45.3	0	0	0	111.4
155	N	30.3	Very low	36.4	Very low	132 Å²	132	153 Å²	153	71%	0.706	82%	0.816	S	S	*	*			trans	-48.7	129.4	172.7	-177.9	-40.3	0	0	0	113.1	E153 E157	E153-N155 PolarHBondContact O-N 2.85Å; N155-E157 VanDerWaalsContact OD1-CB 3.23Å; N155-E157 WeakPolarHBondContact OD1-CB 3.34Å; N155-E157 PolarHBondContact OD1-N 3.31Å
156	I	44	Very low	36.4	Very low	168 Å²	168	152.1 Å²	152.1	86%	0.862	81%	0.814	S	S	*	*			trans	-123.5	43.3	172	55	163.6	0	0	0	112.4	S158	I156-S158 PolarHBondContact O-N 3.1Å
157	E	42.9	Very low	37.3	Very low	166 Å²	166	152.9 Å²	152.9	78%	0.776	81%	0.814	S	S	*	*			trans	-80	97.1	170	-157	81.3	-125.5	0	0	109.6	N155	N155-E157 VanDerWaalsContact OD1-CB 3.23Å; N155-E157 WeakPolarHBondContact OD1-CB 3.34Å; N155-E157 PolarHBondContact OD1-N 3.31Å
158	S	37.7	Very low	38.2	Very low	112 Å²	112	153 Å²	153	78%	0.783	81%	0.809	S	S	*	*			trans	161	82.8	149.8	-76.5	0	0	0	0	113.3	I156	I156-S158 PolarHBondContact O-N 3.1Å
159	I	44.3	Very low	38.8	Very low	157 Å²	157	151.5 Å²	151.5	81%	0.805	80%	0.802	S	S	*	*			trans	-126.9	118.9	154	-58.2	178.6	0	0	0	107.4	K161	I159-K161 PolarHBondContact O-N 2.84Å
160	P	41.9	Very low	39.4	Very low	126 Å²	126	154.8 Å²	154.8	82%	0.818	81%	0.805	S	S	*	*			trans	-72.7	122.4	-172.1	27.2	-33.3	0	0	0	112.2
161	K	46.5	Very low	39.9	Very low	209 Å²	209	154.6 Å²	154.6	91%	0.909	80%	0.804	S	S	*	*			trans	-82.1	125.5	176.8	-67.3	170.2	179.5	167.1	0	111.7	I159	I159-K161 PolarHBondContact O-N 2.84Å
162	R	43.8	Very low	40.5	Very low	234 Å²	234	149.6 Å²	149.6	88%	0.883	80%	0.795	S	S	*	*			trans	-166.5	131.5	161.6	-145.6	168	178.6	140.1	1.4	106.2
163	W	35.1	Very low	40.9	Very low	227 Å²	227	153.1 Å²	153.1	86%	0.86	80%	0.796	S	S	*	*			cis	-166.1	171.3	1.2	46.9	-65	0	0	0	108.3
164	S	37.9	Very low	41.8	Very low	112 Å²	112	154.8 Å²	154.8	78%	0.783	80%	0.796	S	S	*	*			trans	74.6	119.4	177.9	-154.8	0	0	0	0	114.9
165	G	39.5	Very low	42.4	Very low	71 Å²	71	149.2 Å²	149.2	73%	0.732	77%	0.774	S	S	*	*			cis	138.7	11.2	26.9	0	0	0	0	0	113
166	Y	34.5	Very low	43.3	Very low	220 Å²	220	148.3 Å²	148.3	86%	0.863	78%	0.776	S	S	*	*			trans	-131.5	103.3	-178.6	-132.7	-96.4	0	0	0	111.2	A168	Y166-A168 PolarHBondContact O-N 3.38Å
167	T	49.3	Very low	43.9	Very low	141 Å²	141	147.9 Å²	147.9	87%	0.865	77%	0.772	S	S	*	*			trans	-83.2	89.1	168.4	52.9	0	0	0	0	108.7
168	A	47.8	Very low	44.2	Very low	65 Å²	65	146.8 Å²	146.8	54%	0.537	77%	0.771	S	S	.	*			trans	-64.2	138.4	167.5	0	0	0	0	0	109.4	Y166 Q170	Y166-A168 PolarHBondContact O-N 3.38Å; A168-Q170 PolarHBondContact O-N 2.9Å
169	P	46.8	Very low	45.1	Very low	115 Å²	115	146.2 Å²	146.2	75%	0.747	77%	0.767	S	S	*	*			trans	-57.5	132	173.6	-24.3	34.3	0	0	0	110.7	V171	P169-V171 PolarHBondContact O-N 3.27Å
170	Q	42.9	Very low	45.6	Very low	174 Å²	174	143.2 Å²	143.2	81%	0.813	77%	0.766	S	S	*	*			trans	-62.5	109.9	170.6	-30.8	-68.5	-17	0	0	106.8	A168	A168-Q170 PolarHBondContact O-N 2.9Å
171	V	44.2	Very low	46.3	Very low	123 Å²	123	142.1 Å²	142.1	75%	0.745	75%	0.754	S	S	*	*			trans	-93.7	106.2	165.6	177	0	0	0	0	105.6	P169 F173	P169-V171 PolarHBondContact O-N 3.27Å; V171-F173 VanDerWaalsContact C-N 3.25Å; V171-F173 PolarHBondContact O-N 3.49Å
172	D	43.5	Very low	46.8	Very low	136 Å²	136	137.8 Å²	137.8	73%	0.727	74%	0.741	S	S	*	*			trans	-64.9	87.3	176.3	-68	-44.2	0	0	0	109.8	Y174	D172-Y174 VanDerWaalsContact C-N 3.28Å; D172-Y174 PolarHBondContact O-N 3.36Å
173	F	39.9	Very low	47.6	Very low	184 Å²	184	130.8 Å²	130.8	81%	0.807	73%	0.733	S	S	*	*			trans	-76.7	82.9	178.1	-165.7	-91.7	0	0	0	109.1	V171 G175	V171-F173 VanDerWaalsContact C-N 3.25Å; V171-F173 PolarHBondContact O-N 3.49Å; F173-G175 PolarHBondContact O-N 2.93Å
174	Y	49.7	Very low	49.1	Very low	227 Å²	227	123.5 Å²	123.5	89%	0.89	72%	0.716	S	S	*	*			trans	-65.7	77.8	163.6	-94	-89.9	0	0	0	109.7	D172	D172-Y174 VanDerWaalsContact C-N 3.28Å; D172-Y174 PolarHBondContact O-N 3.36Å
175	G	48.8	Very low	51.2	Low	34 Å²	34	122.5 Å²	122.5	35%	0.351	70%	0.702	S	S	.	*			trans	-71	144.6	166.7	0	0	0	0	0	110.6	F173 M177	F173-G175 PolarHBondContact O-N 2.93Å; G175-M177 PolarHBondContact O-N 3.25Å
176	P	49.1	Very low	53.4	Low	113 Å²	113	128.2 Å²	128.2	73%	0.734	70%	0.702	S	S	*	*			trans	-54.2	132.2	174.4	-26.9	35.8	0	0	0	112.1	D178	P176-D178 PolarHBondContact O-N 3.04Å
177	M	55.4	Low	55.3	Low	160 Å²	160	120.8 Å²	120.8	79%	0.788	68%	0.679	S	S	*	*			trans	-83	57.4	-175.7	-151.4	-83.1	171	0	0	110.9	G175 S179	G175-M177 PolarHBondContact O-N 3.25Å; M177-S179 VanDerWaalsContact C-N 3.28Å; M177-S179 PolarHBondContact O-N 3.5Å
178	D	50.1	Low	56.5	Low	142 Å²	142	115.9 Å²	115.9	76%	0.759	65%	0.651	S	S	*	*			trans	-93.7	56.3	177.4	-66.5	-39.4	0	0	0	110.3	P176 A180	P176-D178 PolarHBondContact O-N 3.04Å; D178-A180 VanDerWaalsContact C-N 3.33Å; D178-A180 PolarHBondContact O-N 3.44Å
179	S	55.2	Low	58.1	Low	100 Å²	100	114.8 Å²	114.8	70%	0.699	64%	0.639	S	S	*	*			trans	-78.8	75.1	177.6	-66	0	0	0	0	111.4	M177	M177-S179 VanDerWaalsContact C-N 3.28Å; M177-S179 PolarHBondContact O-N 3.5Å
180	A	56	Low	59.7	Low	95 Å²	95	114.1 Å²	114.1	79%	0.785	63%	0.629	S	S	*	*	S	Bend	trans	-148.9	-0.1	-179.4	0	0	0	0	0	118.5	D178	D178-A180 VanDerWaalsContact C-N 3.33Å; D178-A180 PolarHBondContact O-N 3.44Å
181	D	55.8	Low	61.2	Low	103 Å²	103	111.9 Å²	111.9	55%	0.551	62%	0.62	S	S	*	*			trans	-156.7	26.3	175.1	-147.5	19.4	0	0	0	119.2	A183 S184	D181-A183 PolarHBondContact O-N 2.89Å; D181-S184 VanDerWaalsContact CG-CB 3.49Å; D181-S184 PolarHBondContact O-N 2.91Å; D181-S184 PolarHBondContact O-OG 2.84Å; D181-S184 WeakPolarHBondContact OD1-CB 3.28Å; D181-S184 PolarHBondContact OD1-OG 3.13Å; D181-S184 WeakPolarHBondContact OD2-CB 3.49Å; D181-S184 PolarHBondContact OD2-OG 3.14Å
182	D	57.8	Low	62.5	Low	118 Å²	118	109.4 Å²	109.4	63%	0.631	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-5.1	172.9	-170.6	44.8	0	0	0	113.4	S188	D182-S188 WeakPolarHBondContact OD1-CB 3.4Å; D182-S188 PolarHBondContact OD1-OG 2.93Å
183	A	59.6	Low	63.5	Low	87 Å²	87	111.2 Å²	111.2	72%	0.719	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-22.7	172.5	0	0	0	0	0	114	D181	D181-A183 PolarHBondContact O-N 2.89Å
184	S	66.9	Low	64.7	Low	74 Å²	74	105 Å²	105	52%	0.517	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	-20.9	176.6	75.4	0	0	0	0	113.1	D181 W186	D181-S184 VanDerWaalsContact CG-CB 3.49Å; D181-S184 PolarHBondContact O-N 2.91Å; D181-S184 PolarHBondContact O-OG 2.84Å; D181-S184 WeakPolarHBondContact OD1-CB 3.28Å; D181-S184 PolarHBondContact OD1-OG 3.13Å; D181-S184 WeakPolarHBondContact OD2-CB 3.49Å; D181-S184 PolarHBondContact OD2-OG 3.14Å; S184-W186 PolarHBondContact O-N 3.25Å
185	D	83.2	Confident	65.5	Low	90 Å²	90	104.4 Å²	104.4	48%	0.481	58%	0.581	S	S	.	*			trans	-69.6	98.1	172	-90.9	-25.7	0	0	0	110.8	T187 S188 S189	D185-T187 PolarHBondContact O-N 2.94Å; D185-S188 WeakPolarHBondContact O-CB 3.23Å; D185-S188 PolarHBondContact O-N 3.07Å; D185-S189 PolarHBondContact O-N 3.25Å
186	W	84.2	Confident	66.1	Low	191 Å²	191	109.9 Å²	109.9	72%	0.723	60%	0.602	S	S	*	*	H	α-helix	trans	-53.8	-30.1	177.9	71.9	-82.3	0	0	0	112.7	S184 L190	S184-W186 PolarHBondContact O-N 3.25Å; W186-L190 HydrophobicContact CE3-CD2 4.4Å; W186-L190 HydrophobicContact CZ3-CD2 4.1Å; W186-L190 WeakPolarHBondContact O-CB 3.25Å; W186-L190 PolarHBondContact O-N 3.18Å
187	T	74.8	Confident	67.3	Low	64 Å²	64	113.3 Å²	113.3	39%	0.393	60%	0.6	S	S	.	*	H	α-helix	trans	-65.7	-50.6	174.3	-45.1	0	0	0	0	111.3	D185 L190 M191	D185-T187 PolarHBondContact O-N 2.94Å; T187-L190 PolarHBondContact O-N 3.24Å; T187-M191 HydrophobicContact CG2-SD 4.08Å; T187-M191 WeakPolarHBondContact O-CB 3.5Å; T187-M191 VanDerWaalsContact O-CG 3.32Å; T187-M191 WeakPolarHBondContact O-CG 3.3Å; T187-M191 PolarHBondContact O-N 3.45Å
188	S	73.8	Confident	68.1	Low	38 Å²	38	114 Å²	114	27%	0.266	60%	0.601	S	S	.	*	H	α-helix	trans	-60.8	-45	175.5	-62.5	0	0	0	0	111.4	D182 D185 L190 M191 S192	D182-S188 WeakPolarHBondContact OD1-CB 3.4Å; D182-S188 PolarHBondContact OD1-OG 2.93Å; D185-S188 WeakPolarHBondContact O-CB 3.23Å; D185-S188 PolarHBondContact O-N 3.07Å; S188-L190 PolarHBondContact O-N 3.41Å; S188-M191 PolarHBondContact O-N 2.93Å; S188-S192 VanDerWaalsContact O-CB 3.3Å; S188-S192 WeakPolarHBondContact O-CB 3.11Å; S188-S192 PolarHBondContact O-N 2.92Å; S188-S192 PolarHBondContact O-OG 2.93Å
189	S	82.8	Confident	68.8	Low	43 Å²	43	112.8 Å²	112.8	30%	0.301	60%	0.601	S	S	.	*	H	α-helix	trans	-64.5	-37.1	177.5	-159.4	0	0	0	0	112.7	D185 S192 R193	D185-S189 PolarHBondContact O-N 3.25Å; S189-S192 WeakPolarHBondContact CA-OG 3.36Å; S189-S192 PolarHBondContact O-OG 2.8Å; S189-R193 VanDerWaalsContact O-CB 3.25Å; S189-R193 WeakPolarHBondContact O-CB 3.43Å; S189-R193 VanDerWaalsContact O-CG 3.23Å; S189-R193 WeakPolarHBondContact O-CG 3.32Å; S189-R193 PolarHBondContact O-N 2.67Å; S189-R193 VanDerWaalsContact O-N 3.11Å
190	L	79.2	Confident	69.5	Low	100 Å²	100	114.1 Å²	114.1	52%	0.524	60%	0.6	S	S	.	*	H	α-helix	trans	-71.2	-46.1	175.3	179.6	62.4	0	0	0	111.8	W186 T187 S188 S194	W186-L190 HydrophobicContact CE3-CD2 4.4Å; W186-L190 HydrophobicContact CZ3-CD2 4.1Å; W186-L190 WeakPolarHBondContact O-CB 3.25Å; W186-L190 PolarHBondContact O-N 3.18Å; T187-L190 PolarHBondContact O-N 3.24Å; S188-L190 PolarHBondContact O-N 3.41Å; L190-S194 WeakPolarHBondContact O-CB 3.39Å; L190-S194 PolarHBondContact O-N 2.94Å; L190-S194 PolarHBondContact O-OG 2.99Å
191	M	76.1	Confident	69.7	Low	127 Å²	127	116.4 Å²	116.4	63%	0.626	60%	0.604	S	S	*	*	H	α-helix	trans	-71	-31.5	-177.7	-70.1	-174.8	74	0	0	112.7	T187 S188 S194 R195	T187-M191 HydrophobicContact CG2-SD 4.08Å; T187-M191 WeakPolarHBondContact O-CB 3.5Å; T187-M191 VanDerWaalsContact O-CG 3.32Å; T187-M191 WeakPolarHBondContact O-CG 3.3Å; T187-M191 PolarHBondContact O-N 3.45Å; S188-M191 PolarHBondContact O-N 2.93Å; M191-S194 PolarHBondContact O-OG 2.99Å; M191-R195 WeakPolarHBondContact O-CD 3.49Å; M191-R195 WeakPolarHBondContact O-CG 3.26Å
192	S	71.1	Confident	70.3	Confident	72 Å²	72	115 Å²	115	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-73.5	-48.9	172.5	56	0	0	0	0	112	S188 S189	S188-S192 VanDerWaalsContact O-CB 3.3Å; S188-S192 WeakPolarHBondContact O-CB 3.11Å; S188-S192 PolarHBondContact O-N 2.92Å; S188-S192 PolarHBondContact O-OG 2.93Å; S189-S192 WeakPolarHBondContact CA-OG 3.36Å; S189-S192 PolarHBondContact O-OG 2.8Å
193	R	63.9	Low	71.1	Confident	174 Å²	174	111.2 Å²	111.2	66%	0.657	59%	0.585	S	S	*	*	H	α-helix	trans	-78.8	-16.4	-176.1	-61.4	179.1	73.5	-164.3	5.9	115	S189	S189-R193 VanDerWaalsContact O-CB 3.25Å; S189-R193 WeakPolarHBondContact O-CB 3.43Å; S189-R193 VanDerWaalsContact O-CG 3.23Å; S189-R193 WeakPolarHBondContact O-CG 3.32Å; S189-R193 PolarHBondContact O-N 2.67Å; S189-R193 VanDerWaalsContact O-N 3.11Å
194	S	64.2	Low	71.8	Confident	54 Å²	54	114.5 Å²	114.5	38%	0.378	59%	0.591	S	S	.	*	H	α-helix	trans	-74.8	-27.5	176.5	51.4	0	0	0	0	113.4	L190 M191 N196 R197	L190-S194 WeakPolarHBondContact O-CB 3.39Å; L190-S194 PolarHBondContact O-N 2.94Å; L190-S194 PolarHBondContact O-OG 2.99Å; M191-S194 PolarHBondContact O-OG 2.99Å; S194-N196 PolarHBondContact O-N 3.07Å; S194-R197 PolarHBondContact O-N 2.88Å
195	R	66.9	Low	71.9	Confident	214 Å²	214	116.4 Å²	116.4	81%	0.808	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-16.4	-175.5	-66.4	173.1	71.9	91.1	1.8	114.8	M191	M191-R195 WeakPolarHBondContact O-CD 3.49Å; M191-R195 WeakPolarHBondContact O-CG 3.26Å
196	N	61.9	Low	71.5	Confident	148 Å²	148	115.7 Å²	115.7	79%	0.791	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	13.5	-178.7	-68.1	21.1	0	0	0	113.3	S194 Q198	S194-N196 PolarHBondContact O-N 3.07Å; N196-Q198 PolarHBondContact O-N 2.96Å
197	R	74	Confident	71.1	Confident	185 Å²	185	113 Å²	113	70%	0.698	59%	0.587	S	S	*	*			trans	-83.2	112.1	174.6	-68.5	-177	178.3	-93.9	1.6	109.7	S194	S194-R197 PolarHBondContact O-N 2.88Å
198	Q	71.4	Confident	71.4	Confident	175 Å²	175	112.1 Å²	112.1	82%	0.818	59%	0.586	S	S	*	*			trans	-59.6	134.8	166.5	-69.2	179.7	-16.6	0	0	109	N196 L200	N196-Q198 PolarHBondContact O-N 2.96Å; Q198-L200 PolarHBondContact O-N 3.15Å; Q198-L200 VanDerWaalsContact O-N 3.16Å
199	P	66.1	Low	71.7	Confident	116 Å²	116	113.4 Å²	113.4	75%	0.753	59%	0.591	S	S	*	*			trans	-62.6	119.3	168.8	27	-32.1	0	0	0	107.6	V201	P199-V201 PolarHBondContact O-N 2.67Å
200	L	69.4	Low	71.7	Confident	128 Å²	128	116.2 Å²	116.2	67%	0.67	60%	0.601	S	S	*	*			trans	-65.6	108.6	174.9	-65	175	0	0	0	107.6	Q198 L202	Q198-L200 PolarHBondContact O-N 3.15Å; Q198-L200 VanDerWaalsContact O-N 3.16Å; L200-L202 HydrophobicContact CB-CD1 4.32Å; L200-L202 HydrophobicContact CB-CD2 4.17Å; L200-L202 HydrophobicContact CB-CG 3.88Å; L200-L202 PolarHBondContact O-N 3.45Å
201	V	61.2	Low	71.7	Confident	144 Å²	144	113.3 Å²	113.3	87%	0.873	59%	0.588	S	S	*	*			trans	-72.7	81.7	167.2	-176.5	0	0	0	0	106.6	P199 G203	P199-V201 PolarHBondContact O-N 2.67Å; V201-G203 PolarHBondContact O-N 3.04Å; V201-G203 VanDerWaalsContact O-N 3.14Å
202	L	68.3	Low	71.7	Confident	72 Å²	72	107.7 Å²	107.7	38%	0.377	56%	0.562	S	S	.	*			trans	-71.6	104.2	179.1	-66.4	156.9	0	0	0	107.1	L200 V206 F207	L200-L202 HydrophobicContact CB-CD1 4.32Å; L200-L202 HydrophobicContact CB-CD2 4.17Å; L200-L202 HydrophobicContact CB-CG 3.88Å; L200-L202 PolarHBondContact O-N 3.45Å; L202-V206 HydrophobicContact CB-CB 4.4Å; L202-V206 HydrophobicContact CD2-CB 3.86Å; L202-V206 HydrophobicContact CD2-CG1 3.6Å; L202-F207 HydrophobicContact CD1-CB 4.2Å; L202-F207 HydrophobicContact CD1-CD2 4.23Å
203	G	73.8	Confident	72	Confident	40 Å²	40	109.5 Å²	109.5	41%	0.412	57%	0.566	S	S	.	*			trans	-61.5	167.5	167.8	0	0	0	0	0	111.2	V201 N205 V206	V201-G203 PolarHBondContact O-N 3.04Å; V201-G203 VanDerWaalsContact O-N 3.14Å; G203-N205 PolarHBondContact O-N 3.31Å; G203-N205 VanDerWaalsContact O-N 3.1Å; G203-V206 PolarHBondContact O-N 2.89Å
204	D	75	Confident	72.8	Confident	156 Å²	156	106.9 Å²	106.9	83%	0.834	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.5	120.1	-179.7	-54	-26.8	0	0	0	110.4
205	N	68.3	Low	73.6	Confident	114 Å²	114	104.4 Å²	104.4	61%	0.61	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-13.2	-177.8	-43.5	-63.4	0	0	0	118.8	G203 F207 A208 D209	G203-N205 PolarHBondContact O-N 3.31Å; G203-N205 VanDerWaalsContact O-N 3.1Å; N205-F207 PolarHBondContact O-N 2.97Å; N205-F207 VanDerWaalsContact O-N 3.16Å; N205-A208 CarbonylContact O-C 3.55Å; N205-A208 WeakPolarHBondContact O-CA 3.47Å; N205-A208 WeakPolarHBondContact O-CB 3.36Å; N205-A208 PolarHBondContact O-N 3.33Å; N205-D209 PolarHBondContact O-N 2.83Å
206	V	74	Confident	73.9	Confident	75 Å²	75	99 Å²	99	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-60.7	-34.4	-178.3	-174.8	0	0	0	0	112.1	L202 G203 L210	L202-V206 HydrophobicContact CB-CB 4.4Å; L202-V206 HydrophobicContact CD2-CB 3.86Å; L202-V206 HydrophobicContact CD2-CG1 3.6Å; G203-V206 PolarHBondContact O-N 2.89Å; V206-L210 WeakPolarHBondContact O-CB 3.4Å; V206-L210 PolarHBondContact O-N 3.38Å
207	F	77.6	Confident	74.3	Confident	133 Å²	133	96.6 Å²	96.6	58%	0.583	51%	0.513	S	S	*	.	H	α-helix	trans	-64.9	-43.7	171.2	-179.1	-104.6	0	0	0	112.3	L202 N205 D209 L210 V211	L202-F207 HydrophobicContact CD1-CB 4.2Å; L202-F207 HydrophobicContact CD1-CD2 4.23Å; N205-F207 PolarHBondContact O-N 2.97Å; N205-F207 VanDerWaalsContact O-N 3.16Å; F207-D209 VanDerWaalsContact C-N 3.31Å; F207-D209 PolarHBondContact O-N 3.36Å; F207-L210 PolarHBondContact O-N 2.92Å; F207-V211 HydrophobicContact CD1-CG2 4.38Å; F207-V211 HydrophobicContact CD2-CG2 4.38Å; F207-V211 HydrophobicContact CE1-CG2 3.98Å; F207-V211 HydrophobicContact CE2-CG2 3.97Å; F207-V211 HydrophobicContact CZ-CG2 3.76Å; F207-V211 WeakPolarHBondContact O-CB 3.37Å; F207-V211 WeakPolarHBondContact O-CG2 3.42Å; F207-V211 PolarHBondContact O-N 3.44Å
208	A	80.9	Confident	73.8	Confident	46 Å²	46	92.7 Å²	92.7	38%	0.38	51%	0.511	S	S	.	.	H	α-helix	trans	-67.6	-31.5	-179.1	0	0	0	0	0	112.2	N205 G212 R258	N205-A208 CarbonylContact O-C 3.55Å; N205-A208 WeakPolarHBondContact O-CA 3.47Å; N205-A208 WeakPolarHBondContact O-CB 3.36Å; N205-A208 PolarHBondContact O-N 3.33Å; A208-G212 WeakPolarHBondContact O-CA 3.3Å; A208-G212 PolarHBondContact O-N 3.38Å; A208-R258 PolarHBondContact O-NH2 2.97Å
209	D	79.4	Confident	73.3	Confident	66 Å²	66	89.3 Å²	89.3	35%	0.353	50%	0.496	S	S	.	.	H	α-helix	trans	-79.3	-35.1	173.5	-70.5	-37.6	0	0	0	112.6	N205 F207 G212 N213 R261	N205-D209 PolarHBondContact O-N 2.83Å; F207-D209 VanDerWaalsContact C-N 3.31Å; F207-D209 PolarHBondContact O-N 3.36Å; D209-G212 CarbonylContact O-C 3.48Å; D209-G212 WeakPolarHBondContact O-CA 3.38Å; D209-G212 PolarHBondContact O-N 3.47Å; D209-G212 VanDerWaalsContact O-N 3.15Å; D209-N213 PolarHBondContact O-N 2.94Å; D209-N213 PolarHBondContact O-ND2 3.44Å; D209-N213 PolarHBondContact O-OD1 2.95Å; D209-R261 IonicContact OD1-NH1 3.76Å; D209-R261 PolarHBondContact OD1-NH1 3.16Å
210	L	83.3	Confident	72.9	Confident	101 Å²	101	89.2 Å²	89.2	53%	0.529	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-48	172.3	178.5	61.6	0	0	0	111.5	V206 F207 G212 W214	V206-L210 WeakPolarHBondContact O-CB 3.4Å; V206-L210 PolarHBondContact O-N 3.38Å; F207-L210 PolarHBondContact O-N 2.92Å; L210-G212 PolarHBondContact O-N 2.96Å; L210-W214 WeakPolarHBondContact O-CB 3.44Å; L210-W214 PolarHBondContact O-N 3.16Å
211	V	79.6	Confident	71.6	Confident	40 Å²	40	91.4 Å²	91.4	24%	0.242	50%	0.5	C	S	.	.	H	α-helix	trans	-65	-31.7	169.7	176.7	0	0	0	0	110.1	F207 L215	F207-V211 HydrophobicContact CD1-CG2 4.38Å; F207-V211 HydrophobicContact CD2-CG2 4.38Å; F207-V211 HydrophobicContact CE1-CG2 3.98Å; F207-V211 HydrophobicContact CE2-CG2 3.97Å; F207-V211 HydrophobicContact CZ-CG2 3.76Å; F207-V211 WeakPolarHBondContact O-CB 3.37Å; F207-V211 WeakPolarHBondContact O-CG2 3.42Å; F207-V211 PolarHBondContact O-N 3.44Å; V211-L215 HydrophobicContact CG1-CD1 3.79Å; V211-L215 HydrophobicContact CG1-CG 4.14Å; V211-L215 VanDerWaalsContact O-CB 3.24Å; V211-L215 WeakPolarHBondContact O-CB 3.39Å; V211-L215 WeakPolarHBondContact O-CG 3.11Å; V211-L215 PolarHBondContact O-N 3.22Å
212	G	74.4	Confident	71.2	Confident	8 Å²	8	94.5 Å²	94.5	8%	0.082	50%	0.496	C	S	.	.	H	α-helix	trans	-42.9	-75.3	165.8	0	0	0	0	0	111.6	A208 D209 L210 W214 L215 D216 R258	A208-G212 WeakPolarHBondContact O-CA 3.3Å; A208-G212 PolarHBondContact O-N 3.38Å; D209-G212 CarbonylContact O-C 3.48Å; D209-G212 WeakPolarHBondContact O-CA 3.38Å; D209-G212 PolarHBondContact O-N 3.47Å; D209-G212 VanDerWaalsContact O-N 3.15Å; L210-G212 PolarHBondContact O-N 2.96Å; G212-W214 VanDerWaalsContact C-N 3.34Å; G212-W214 PolarHBondContact O-N 2.92Å; G212-L215 PolarHBondContact O-N 2.92Å; G212-D216 WeakPolarHBondContact O-CB 3.49Å; G212-D216 PolarHBondContact O-N 3.27Å; G212-R258 VanDerWaalsContact CA-NH2 3.29Å; G212-R258 VanDerWaalsContact N-NH2 3.18Å; G212-R258 PolarHBondContact O-NH1 3.27Å
213	N	77.5	Confident	69.7	Low	110 Å²	110	98.5 Å²	98.5	59%	0.588	51%	0.512	S	S	*	.	H	α-helix	trans	-61.9	-37.7	-176	-59	-17	0	0	0	112	D209 D216 L217	D209-N213 PolarHBondContact O-N 2.94Å; D209-N213 PolarHBondContact O-ND2 3.44Å; D209-N213 PolarHBondContact O-OD1 2.95Å; N213-D216 PolarHBondContact O-N 3.11Å; N213-D216 VanDerWaalsContact O-N 3.11Å; N213-L217 WeakPolarHBondContact O-CD1 3.48Å; N213-L217 PolarHBondContact O-N 3.02Å; N213-L217 VanDerWaalsContact O-N 3.16Å
214	W	81.6	Confident	68.2	Low	119 Å²	119	101.2 Å²	101.2	45%	0.451	53%	0.53	S	S	.	.	H	α-helix	trans	-67.7	-34.6	177.6	-179.1	73.4	0	0	0	114.1	L210 G212 D216 K251	L210-W214 WeakPolarHBondContact O-CB 3.44Å; L210-W214 PolarHBondContact O-N 3.16Å; G212-W214 VanDerWaalsContact C-N 3.34Å; G212-W214 PolarHBondContact O-N 2.92Å; W214-D216 VanDerWaalsContact C-N 3.32Å; W214-K251 VanDerWaalsContact CE2-CE 3.49Å; W214-K251 HydrophobicContact CH2-CD 4.45Å; W214-K251 VanDerWaalsContact CH2-CE 3.41Å; W214-K251 HydrophobicContact CH2-CG 4.22Å; W214-K251 HydrophobicContact CZ3-CG 4.17Å; W214-K251 PolarHBondContact O-NZ 3.29Å
215	L	80.4	Confident	66.2	Low	2 Å²	2	100 Å²	100	1%	0.01	52%	0.524	C	S	.	.	H	α-helix	trans	-74.1	-27.9	170.3	-72	177.6	0	0	0	111.5	V211 G212 K251 L254 R255	V211-L215 HydrophobicContact CG1-CD1 3.79Å; V211-L215 HydrophobicContact CG1-CG 4.14Å; V211-L215 VanDerWaalsContact O-CB 3.24Å; V211-L215 WeakPolarHBondContact O-CB 3.39Å; V211-L215 WeakPolarHBondContact O-CG 3.11Å; V211-L215 PolarHBondContact O-N 3.22Å; G212-L215 PolarHBondContact O-N 2.92Å; L215-K251 HydrophobicContact CD2-CB 3.91Å; L215-K251 HydrophobicContact CD2-CD 4.44Å; L215-K251 HydrophobicContact CD2-CG 3.71Å; L215-L254 HydrophobicContact CD1-CB 3.69Å; L215-L254 HydrophobicContact CD1-CD1 4.05Å; L215-L254 HydrophobicContact CD2-CB 4.06Å; L215-L254 HydrophobicContact CD2-CD1 4.11Å; L215-R255 HydrophobicContact CB-CG 4.38Å; L215-R255 WeakPolarHBondContact O-CD 3.15Å; L215-R255 PolarHBondContact O-NE 2.93Å; L215-R255 PolarHBondContact O-NH1 2.82Å
216	D	74.5	Confident	64.5	Low	100 Å²	100	100.1 Å²	100.1	54%	0.535	53%	0.529	S	S	.	.	H	α-helix	trans	-83.2	-26.9	-170.5	-157.3	48.6	0	0	0	115.3	G212 N213 W214 R255	G212-D216 WeakPolarHBondContact O-CB 3.49Å; G212-D216 PolarHBondContact O-N 3.27Å; N213-D216 PolarHBondContact O-N 3.11Å; N213-D216 VanDerWaalsContact O-N 3.11Å; W214-D216 VanDerWaalsContact C-N 3.32Å; D216-R255 PolarHBondContact O-NH1 2.93Å; D216-R255 PolarHBondContact O-NH2 3Å; D216-R255 IonicContact OD1-CZ 3.49Å; D216-R255 IonicContact OD1-NH2 3.74Å; D216-R255 PolarHBondContact OD1-NH2 3.02Å
217	L	70.4	Confident	63.3	Low	98 Å²	98	103 Å²	103	51%	0.513	55%	0.55	S	S	.	.	S	Bend	trans	-45.1	140	175.5	-71.4	114.4	0	0	0	111.1	N213 E219 R255	N213-L217 WeakPolarHBondContact O-CD1 3.48Å; N213-L217 PolarHBondContact O-N 3.02Å; N213-L217 VanDerWaalsContact O-N 3.16Å; L217-E219 PolarHBondContact O-N 3.42Å; L217-R255 PolarHBondContact O-NH1 3.01Å
218	P	63.2	Low	61.5	Low	103 Å²	103	100 Å²	100	67%	0.669	55%	0.549	S	S	*	.			trans	-54.5	141.3	168.8	24.8	-33	0	0	0	108.6	V220	P218-V220 PolarHBondContact O-N 3.38Å
219	E	60.8	Low	59.6	Low	105 Å²	105	105.1 Å²	105.1	49%	0.491	57%	0.565	S	S	.	*			trans	-57.6	108.9	164.1	-178.4	163.5	-168.4	0	0	105.7	L217 E221 N248 K252	L217-E219 PolarHBondContact O-N 3.42Å; E219-E221 PolarHBondContact O-N 3.21Å; E219-N248 PolarHBondContact OE1-ND2 2.92Å; E219-N248 PolarHBondContact OE1-OD1 2.74Å; E219-N248 PolarHBondContact OE2-ND2 2.87Å; E219-N248 PolarHBondContact OE2-OD1 2.74Å; E219-K252 IonicContact OE1-NZ 2.7Å; E219-K252 WeakPolarHBondContact OE2-CE 3.19Å; E219-K252 IonicContact OE2-NZ 3.39Å; E219-K252 PolarHBondContact OE2-NZ 3.12Å
220	V	56.9	Low	58	Low	114 Å²	114	108.3 Å²	108.3	69%	0.691	59%	0.589	S	S	*	*			trans	-66.5	95	-177.3	178.5	0	0	0	0	106.4	P218 R222	P218-V220 PolarHBondContact O-N 3.38Å; V220-R222 HydrophobicContact CG1-CG 4.16Å; V220-R222 PolarHBondContact O-N 3.09Å
221	E	43.4	Very low	56.4	Low	174 Å²	174	110.4 Å²	110.4	81%	0.813	60%	0.6	S	S	*	*			trans	-59.2	82.9	161.5	-70	-174.3	148.3	0	0	106.3	E219 E223	E219-E221 PolarHBondContact O-N 3.21Å; E221-E223 PolarHBondContact O-N 3.2Å
222	R	50.9	Low	55.3	Low	209 Å²	209	119.6 Å²	119.6	79%	0.789	63%	0.63	S	S	*	*			trans	-64	93.9	153.3	-75.9	-172	54	77.4	15.9	105	V220 A224	V220-R222 HydrophobicContact CG1-CG 4.16Å; V220-R222 PolarHBondContact O-N 3.09Å; R222-A224 VanDerWaalsContact C-N 3.28Å; R222-A224 PolarHBondContact O-N 2.67Å
223	E	37.8	Very low	54.7	Low	156 Å²	156	122 Å²	122	73%	0.729	64%	0.641	S	S	*	*			trans	-45.9	101.4	161.1	-73.8	171.3	132.2	0	0	107.1	E221 D225	E221-E223 PolarHBondContact O-N 3.2Å; E223-D225 PolarHBondContact O-N 2.73Å; E223-D225 VanDerWaalsContact O-N 3.13Å
224	A	41.8	Very low	54.3	Low	96 Å²	96	120 Å²	120	79%	0.793	64%	0.636	S	S	*	*			trans	-86.4	70.6	171.5	0	0	0	0	0	105.5	R222 T226	R222-A224 VanDerWaalsContact C-N 3.28Å; R222-A224 PolarHBondContact O-N 2.67Å; A224-T226 PolarHBondContact O-N 3.35Å; A224-T226 VanDerWaalsContact O-N 3.12Å
225	D	34.1	Very low	53.4	Low	132 Å²	132	123.8 Å²	123.8	71%	0.706	65%	0.65	S	S	*	*			trans	-53.9	118.8	-175.7	-81.7	-35.1	0	0	0	110.9	E223	E223-D225 PolarHBondContact O-N 2.73Å; E223-D225 VanDerWaalsContact O-N 3.13Å
226	T	32.9	Very low	52.9	Low	116 Å²	116	127.1 Å²	127.1	71%	0.712	67%	0.674	S	S	*	*			trans	59.4	116.9	167.1	-52	0	0	0	0	116.7	A224 A228	A224-T226 PolarHBondContact O-N 3.35Å; A224-T226 VanDerWaalsContact O-N 3.12Å; T226-A228 PolarHBondContact O-N 3.42Å
227	P	48.9	Very low	52.9	Low	136 Å²	136	126.7 Å²	126.7	88%	0.883	67%	0.668	S	S	*	*			trans	-79	65.1	179	35	-36.7	0	0	0	112.4	H229	P227-H229 PolarHBondContact O-N 3.23Å
228	A	40	Very low	53.2	Low	69 Å²	69	126.2 Å²	126.2	57%	0.57	66%	0.663	S	S	*	*			trans	-85.7	106.4	167.6	0	0	0	0	0	110	T226	T226-A228 PolarHBondContact O-N 3.42Å
229	H	39.3	Very low	53.6	Low	154 Å²	154	124.6 Å²	124.6	71%	0.713	65%	0.648	S	S	*	*			trans	76.9	120	177	-47.9	-71.3	0	0	0	116.8	P227 L231	P227-H229 PolarHBondContact O-N 3.23Å; H229-L231 PolarHBondContact O-N 3.48Å
230	P	47.2	Very low	54	Low	133 Å²	133	123.1 Å²	123.1	86%	0.864	65%	0.649	S	S	*	*			trans	-76.8	73.2	172.1	33.4	-34.7	0	0	0	110.4	R232	P230-R232 PolarHBondContact O-N 2.87Å
231	L	49.6	Very low	54.8	Low	144 Å²	144	123 Å²	123	75%	0.754	64%	0.639	S	S	*	*			trans	-61.6	120.3	170.1	-67.4	-179.5	0	0	0	108.9	H229 L233	H229-L231 PolarHBondContact O-N 3.48Å; L231-L233 PolarHBondContact O-N 2.78Å
232	R	56	Low	56.3	Low	233 Å²	233	121.6 Å²	121.6	88%	0.879	63%	0.63	S	S	*	*			trans	-49.9	101.4	-180	-105.3	-79.7	169.6	90.8	-3.1	110	P230 S234	P230-R232 PolarHBondContact O-N 2.87Å; R232-S234 PolarHBondContact O-N 3.39Å
233	L	61.4	Low	57.3	Low	59 Å²	59	118 Å²	118	31%	0.309	62%	0.62	S	S	.	*			trans	-56.8	133.7	175	-56.5	168.3	0	0	0	107.8	L231 Q237 E238 K241	L231-L233 PolarHBondContact O-N 2.78Å; L233-Q237 HydrophobicContact CB-CB 4.37Å; L233-Q237 HydrophobicContact CD2-CG 4.36Å; L233-Q237 VanDerWaalsContact CD2-OE1 3.25Å; L233-E238 HydrophobicContact CB-CG 3.98Å; L233-K241 HydrophobicContact CD1-CD 3.98Å; L233-K241 VanDerWaalsContact CD1-NZ 3.28Å
234	S	69.1	Low	59	Low	69 Å²	69	114.1 Å²	114.1	48%	0.483	61%	0.611	S	S	.	*			trans	-60.6	149.9	175.9	179.3	0	0	0	0	109.8	R232 S236 Q237 E238	R232-S234 PolarHBondContact O-N 3.39Å; S234-S236 PolarHBondContact O-N 3.26Å; S234-S236 PolarHBondContact OG-OG 3.27Å; S234-Q237 CarbonylContact O-C 3.57Å; S234-Q237 WeakPolarHBondContact O-CA 3.41Å; S234-Q237 WeakPolarHBondContact O-CB 3.22Å; S234-Q237 PolarHBondContact O-N 3.45Å; S234-E238 PolarHBondContact O-N 2.92Å
235	R	63.2	Low	60.4	Low	198 Å²	198	115 Å²	115	75%	0.747	60%	0.601	S	S	*	*	H	α-helix	trans	-50.9	-35.2	175.8	-173	-177.6	-179.5	-152.8	0.7	111.9	I239	R235-I239 HydrophobicContact CG-CD1 4.08Å; R235-I239 WeakPolarHBondContact O-CB 3.3Å; R235-I239 VanDerWaalsContact O-CD1 3.31Å; R235-I239 WeakPolarHBondContact O-CD1 3.2Å; R235-I239 WeakPolarHBondContact O-CG1 3.35Å; R235-I239 PolarHBondContact O-N 3.47Å
236	S	69	Low	62.3	Low	72 Å²	72	112.5 Å²	112.5	50%	0.503	59%	0.591	S	S	.	*	H	α-helix	trans	-66	-40.7	173.2	54.2	0	0	0	0	112.7	S234 I239 C240	S234-S236 PolarHBondContact O-N 3.26Å; S234-S236 PolarHBondContact OG-OG 3.27Å; S236-I239 PolarHBondContact O-N 3.04Å; S236-C240 WeakPolarHBondContact O-CB 3.48Å; S236-C240 PolarHBondContact O-N 3.47Å; S236-C240 PolarHBondContact O-SG 2.9Å
237	Q	76	Confident	64.4	Low	91 Å²	91	109.7 Å²	109.7	43%	0.425	57%	0.574	S	S	.	*	H	α-helix	trans	-71	-34.9	178.3	-164.7	-178.3	18	0	0	112.4	L233 S234 K241	L233-Q237 HydrophobicContact CB-CB 4.37Å; L233-Q237 HydrophobicContact CD2-CG 4.36Å; L233-Q237 VanDerWaalsContact CD2-OE1 3.25Å; S234-Q237 CarbonylContact O-C 3.57Å; S234-Q237 WeakPolarHBondContact O-CA 3.41Å; S234-Q237 WeakPolarHBondContact O-CB 3.22Å; S234-Q237 PolarHBondContact O-N 3.45Å; Q237-K241 WeakPolarHBondContact O-CB 3.25Å; Q237-K241 VanDerWaalsContact O-CG 3.32Å; Q237-K241 WeakPolarHBondContact O-CG 3.37Å; Q237-K241 PolarHBondContact O-N 3.03Å
238	E	75.9	Confident	65.8	Low	87 Å²	87	104.3 Å²	104.3	41%	0.407	54%	0.538	S	S	.	.	H	α-helix	trans	-63.3	-45.1	169.1	-64.5	177.8	159.9	0	0	111.2	L233 S234 K241 K242	L233-E238 HydrophobicContact CB-CG 3.98Å; S234-E238 PolarHBondContact O-N 2.92Å; E238-K241 PolarHBondContact O-N 3.33Å; E238-K242 WeakPolarHBondContact O-CB 3.23Å; E238-K242 VanDerWaalsContact O-CG 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.29Å; E238-K242 PolarHBondContact O-N 3.46Å
239	I	71.7	Confident	67.7	Low	69 Å²	69	106 Å²	106	35%	0.354	54%	0.536	S	S	.	.	H	α-helix	trans	-62.1	-46.5	175.2	-71.8	165.5	0	0	0	110.6	R235 S236 K241 K242 F243	R235-I239 HydrophobicContact CG-CD1 4.08Å; R235-I239 WeakPolarHBondContact O-CB 3.3Å; R235-I239 VanDerWaalsContact O-CD1 3.31Å; R235-I239 WeakPolarHBondContact O-CD1 3.2Å; R235-I239 WeakPolarHBondContact O-CG1 3.35Å; R235-I239 PolarHBondContact O-N 3.47Å; S236-I239 PolarHBondContact O-N 3.04Å; I239-K241 PolarHBondContact O-N 3.27Å; I239-K242 PolarHBondContact O-N 3.36Å; I239-F243 HydrophobicContact CG2-CD2 3.56Å; I239-F243 HydrophobicContact CG2-CE2 3.5Å; I239-F243 VanDerWaalsContact CG2-CE2 3.5Å; I239-F243 VanDerWaalsContact O-CD2 3.27Å; I239-F243 WeakPolarHBondContact O-CD2 3.47Å; I239-F243 PolarHBondContact O-N 2.98Å
240	C	68.3	Low	69.8	Low	75 Å²	75	103.9 Å²	103.9	51%	0.507	53%	0.525	S	S	.	.	H	α-helix	trans	-59.6	-44.7	174.7	-70.9	0	0	0	0	111.8	S236 K242 F243 S244	S236-C240 WeakPolarHBondContact O-CB 3.48Å; S236-C240 PolarHBondContact O-N 3.47Å; S236-C240 PolarHBondContact O-SG 2.9Å; C240-K242 VanDerWaalsContact C-N 3.34Å; C240-K242 PolarHBondContact O-N 3.44Å; C240-F243 PolarHBondContact O-N 3.28Å; C240-S244 WeakPolarHBondContact O-CB 3.42Å; C240-S244 PolarHBondContact O-N 3.06Å; C240-S244 PolarHBondContact O-OG 2.99Å; C240-S244 VanDerWaalsContact O-OG 3.09Å
241	K	74.5	Confident	71.5	Confident	111 Å²	111	99.6 Å²	99.6	48%	0.483	49%	0.493	S	S	.	.	H	α-helix	trans	-62.1	-40.2	175.8	-76.9	178.9	179	-170.6	0	112.1	L233 Q237 E238 I239 S244 L245	L233-K241 HydrophobicContact CD1-CD 3.98Å; L233-K241 VanDerWaalsContact CD1-NZ 3.28Å; Q237-K241 WeakPolarHBondContact O-CB 3.25Å; Q237-K241 VanDerWaalsContact O-CG 3.32Å; Q237-K241 WeakPolarHBondContact O-CG 3.37Å; Q237-K241 PolarHBondContact O-N 3.03Å; E238-K241 PolarHBondContact O-N 3.33Å; I239-K241 PolarHBondContact O-N 3.27Å; K241-S244 PolarHBondContact O-N 3.38Å; K241-L245 WeakPolarHBondContact O-CB 3.36Å; K241-L245 PolarHBondContact O-N 3.35Å
242	K	74.9	Confident	72.9	Confident	144 Å²	144	98.2 Å²	98.2	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-64.1	-43.1	174.6	-73	169.4	63.6	173.9	0	111.9	E238 I239 C240 L245 T246	E238-K242 WeakPolarHBondContact O-CB 3.23Å; E238-K242 VanDerWaalsContact O-CG 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.29Å; E238-K242 PolarHBondContact O-N 3.46Å; I239-K242 PolarHBondContact O-N 3.36Å; C240-K242 VanDerWaalsContact C-N 3.34Å; C240-K242 PolarHBondContact O-N 3.44Å; K242-L245 PolarHBondContact O-N 3.3Å; K242-T246 WeakPolarHBondContact O-CG2 3.4Å; K242-T246 PolarHBondContact O-N 3.2Å; K242-T246 PolarHBondContact O-OG1 2.95Å
243	F	72.3	Confident	74.1	Confident	133 Å²	133	92.9 Å²	92.9	58%	0.583	46%	0.464	S	S	*	.	H	α-helix	trans	-66.7	-39.5	173.6	-82.1	-65.6	0	0	0	112.5	I239 C240 T246 T247	I239-F243 HydrophobicContact CG2-CD2 3.56Å; I239-F243 HydrophobicContact CG2-CE2 3.5Å; I239-F243 VanDerWaalsContact CG2-CE2 3.5Å; I239-F243 VanDerWaalsContact O-CD2 3.27Å; I239-F243 WeakPolarHBondContact O-CD2 3.47Å; I239-F243 PolarHBondContact O-N 2.98Å; C240-F243 PolarHBondContact O-N 3.28Å; F243-T246 PolarHBondContact O-OG1 3.08Å; F243-T247 VanDerWaalsContact O-CB 3.25Å; F243-T247 WeakPolarHBondContact O-CB 3.27Å; F243-T247 VanDerWaalsContact O-CG2 3.22Å; F243-T247 WeakPolarHBondContact O-CG2 3.36Å; F243-T247 PolarHBondContact O-N 2.61Å; F243-T247 PolarHBondContact O-OG1 3.19Å
244	S	72.8	Confident	75.1	Confident	75 Å²	75	92.2 Å²	92.2	52%	0.524	46%	0.461	S	S	.	.	H	α-helix	trans	-62.9	-41.5	174.8	-65.5	0	0	0	0	111.8	C240 K241 T247 N248	C240-S244 WeakPolarHBondContact O-CB 3.42Å; C240-S244 PolarHBondContact O-N 3.06Å; C240-S244 PolarHBondContact O-OG 2.99Å; C240-S244 VanDerWaalsContact O-OG 3.09Å; K241-S244 PolarHBondContact O-N 3.38Å; S244-T247 WeakPolarHBondContact CA-OG1 3.41Å; S244-T247 PolarHBondContact O-OG1 3.06Å; S244-N248 VanDerWaalsContact O-CB 3.23Å; S244-N248 WeakPolarHBondContact O-CB 3.47Å; S244-N248 PolarHBondContact O-N 2.78Å
245	L	72.1	Confident	75.5	Confident	114 Å²	114	94 Å²	94	60%	0.597	46%	0.457	S	S	*	.	H	α-helix	trans	-65.7	-48.4	177.3	-174.8	65.7	0	0	0	111.8	K241 K242 N248 I249	K241-L245 WeakPolarHBondContact O-CB 3.36Å; K241-L245 PolarHBondContact O-N 3.35Å; K242-L245 PolarHBondContact O-N 3.3Å; L245-N248 PolarHBondContact O-N 3.33Å; L245-I249 HydrophobicContact CG-CD1 4.3Å; L245-I249 WeakPolarHBondContact O-CG1 3.45Å; L245-I249 PolarHBondContact O-N 2.78Å
246	T	72.8	Confident	76	Confident	81 Å²	81	88.8 Å²	88.8	50%	0.497	45%	0.451	S	S	.	.	H	α-helix	trans	-69.4	-39	179.7	53.9	0	0	0	0	112.4	K242 F243 N248 I249 F250	K242-T246 WeakPolarHBondContact O-CG2 3.4Å; K242-T246 PolarHBondContact O-N 3.2Å; K242-T246 PolarHBondContact O-OG1 2.95Å; F243-T246 PolarHBondContact O-OG1 3.08Å; T246-N248 VanDerWaalsContact C-N 3.33Å; T246-I249 PolarHBondContact O-N 2.92Å; T246-F250 WeakPolarHBondContact O-CB 3.41Å; T246-F250 PolarHBondContact O-N 3.35Å
247	T	77.6	Confident	76.1	Confident	57 Å²	57	89.3 Å²	89.3	35%	0.35	45%	0.451	S	S	.	.	H	α-helix	trans	-65.2	-36.5	172.6	54.6	0	0	0	0	111.4	F243 S244 F250 K251	F243-T247 VanDerWaalsContact O-CB 3.25Å; F243-T247 WeakPolarHBondContact O-CB 3.27Å; F243-T247 VanDerWaalsContact O-CG2 3.22Å; F243-T247 WeakPolarHBondContact O-CG2 3.36Å; F243-T247 PolarHBondContact O-N 2.61Å; F243-T247 PolarHBondContact O-OG1 3.19Å; S244-T247 WeakPolarHBondContact CA-OG1 3.41Å; S244-T247 PolarHBondContact O-OG1 3.06Å; T247-F250 PolarHBondContact O-N 2.81Å; T247-K251 WeakPolarHBondContact O-CB 3.39Å; T247-K251 VanDerWaalsContact O-CG 3.26Å; T247-K251 WeakPolarHBondContact O-CG 3.39Å; T247-K251 PolarHBondContact O-N 2.91Å
248	N	77.3	Confident	75.7	Confident	22 Å²	22	89.4 Å²	89.4	12%	0.118	45%	0.447	C	S	.	.	H	α-helix	trans	-66.2	-44.2	175.9	-173.4	-86.3	0	0	0	112.7	E219 S244 L245 T246 F250 K251 K252	E219-N248 PolarHBondContact OE1-ND2 2.92Å; E219-N248 PolarHBondContact OE1-OD1 2.74Å; E219-N248 PolarHBondContact OE2-ND2 2.87Å; E219-N248 PolarHBondContact OE2-OD1 2.74Å; S244-N248 VanDerWaalsContact O-CB 3.23Å; S244-N248 WeakPolarHBondContact O-CB 3.47Å; S244-N248 PolarHBondContact O-N 2.78Å; L245-N248 PolarHBondContact O-N 3.33Å; T246-N248 VanDerWaalsContact C-N 3.33Å; N248-F250 VanDerWaalsContact C-N 3.28Å; N248-F250 PolarHBondContact O-N 3.04Å; N248-K251 WeakPolarHBondContact O-CB 3.29Å; N248-K251 PolarHBondContact O-N 3.45Å; N248-K251 VanDerWaalsContact O-N 3.14Å; N248-K252 PolarHBondContact O-N 3.18Å; N248-K252 VanDerWaalsContact OD1-CD 3.29Å; N248-K252 WeakPolarHBondContact OD1-CD 3.48Å; N248-K252 WeakPolarHBondContact OD1-CE 3.42Å; N248-K252 PolarHBondContact OD1-NZ 3.47Å
249	I	81.3	Confident	74.9	Confident	104 Å²	104	90.1 Å²	90.1	53%	0.533	46%	0.46	S	S	.	.	H	α-helix	trans	-58	-43.8	173.4	-65.8	163.5	0	0	0	110.3	L245 T246 K252 F253	L245-I249 HydrophobicContact CG-CD1 4.3Å; L245-I249 WeakPolarHBondContact O-CG1 3.45Å; L245-I249 PolarHBondContact O-N 2.78Å; T246-I249 PolarHBondContact O-N 2.92Å; I249-K252 PolarHBondContact O-N 3.18Å; I249-F253 PolarHBondContact O-N 3.48Å
250	F	82.4	Confident	74.5	Confident	111 Å²	111	89.9 Å²	89.9	49%	0.487	46%	0.459	S	S	.	.	H	α-helix	trans	-63.4	-41	175.1	179.4	-108.2	0	0	0	112.8	T246 T247 N248 F253 L254	T246-F250 WeakPolarHBondContact O-CB 3.41Å; T246-F250 PolarHBondContact O-N 3.35Å; T247-F250 PolarHBondContact O-N 2.81Å; N248-F250 VanDerWaalsContact C-N 3.28Å; N248-F250 PolarHBondContact O-N 3.04Å; F250-F253 PolarHBondContact O-N 3.32Å; F250-L254 HydrophobicContact CD1-CD1 3.97Å; F250-L254 HydrophobicContact CD1-CG 4.45Å; F250-L254 HydrophobicContact CE1-CD1 3.36Å; F250-L254 HydrophobicContact CE1-CG 4.14Å; F250-L254 HydrophobicContact CE2-CD1 4.18Å; F250-L254 HydrophobicContact CE2-CD2 4.39Å; F250-L254 HydrophobicContact CE2-CG 4.17Å; F250-L254 HydrophobicContact CZ-CD1 3.5Å; F250-L254 VanDerWaalsContact CZ-CD1 3.5Å; F250-L254 HydrophobicContact CZ-CD2 4.33Å; F250-L254 HydrophobicContact CZ-CG 3.99Å; F250-L254 WeakPolarHBondContact O-CB 3.32Å; F250-L254 WeakPolarHBondContact O-CG 3.39Å; F250-L254 PolarHBondContact O-N 3.36Å
251	K	83.3	Confident	74.1	Confident	43 Å²	43	94.4 Å²	94.4	19%	0.187	47%	0.465	C	S	.	.	H	α-helix	trans	-61.6	-43.4	173.3	-72.1	-169.4	176.4	-153.5	0	111.7	W214 L215 T247 N248 L254 R255	W214-K251 VanDerWaalsContact CE2-CE 3.49Å; W214-K251 HydrophobicContact CH2-CD 4.45Å; W214-K251 VanDerWaalsContact CH2-CE 3.41Å; W214-K251 HydrophobicContact CH2-CG 4.22Å; W214-K251 HydrophobicContact CZ3-CG 4.17Å; W214-K251 PolarHBondContact O-NZ 3.29Å; L215-K251 HydrophobicContact CD2-CB 3.91Å; L215-K251 HydrophobicContact CD2-CD 4.44Å; L215-K251 HydrophobicContact CD2-CG 3.71Å; T247-K251 WeakPolarHBondContact O-CB 3.39Å; T247-K251 VanDerWaalsContact O-CG 3.26Å; T247-K251 WeakPolarHBondContact O-CG 3.39Å; T247-K251 PolarHBondContact O-N 2.91Å; N248-K251 WeakPolarHBondContact O-CB 3.29Å; N248-K251 PolarHBondContact O-N 3.45Å; N248-K251 VanDerWaalsContact O-N 3.14Å; K251-L254 PolarHBondContact O-N 3.02Å; K251-R255 WeakPolarHBondContact O-CG 3.41Å; K251-R255 PolarHBondContact O-N 3.37Å
252	K	79.2	Confident	73.3	Confident	114 Å²	114	94.9 Å²	94.9	50%	0.496	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-43.2	176.6	-77.4	174.5	174.7	144.6	0	111.2	E219 N248 I249 R255 S256	E219-K252 IonicContact OE1-NZ 2.7Å; E219-K252 WeakPolarHBondContact OE2-CE 3.19Å; E219-K252 IonicContact OE2-NZ 3.39Å; E219-K252 PolarHBondContact OE2-NZ 3.12Å; N248-K252 PolarHBondContact O-N 3.18Å; N248-K252 VanDerWaalsContact OD1-CD 3.29Å; N248-K252 WeakPolarHBondContact OD1-CD 3.48Å; N248-K252 WeakPolarHBondContact OD1-CE 3.42Å; N248-K252 PolarHBondContact OD1-NZ 3.47Å; I249-K252 PolarHBondContact O-N 3.18Å; K252-R255 PolarHBondContact O-N 3.1Å; K252-S256 PolarHBondContact O-N 2.98Å; K252-S256 PolarHBondContact O-OG 3.27Å
253	F	81.6	Confident	72.5	Confident	121 Å²	121	94.3 Å²	94.3	53%	0.531	47%	0.47	S	S	.	.	H	α-helix	trans	-61.5	-46.2	172.6	-178	-99.9	0	0	0	112.5	I249 F250 R255 S256 V257	I249-F253 PolarHBondContact O-N 3.48Å; F250-F253 PolarHBondContact O-N 3.32Å; F253-R255 VanDerWaalsContact C-N 3.3Å; F253-R255 PolarHBondContact O-N 3.45Å; F253-S256 WeakPolarHBondContact CA-OG 3.36Å; F253-S256 PolarHBondContact O-N 3.37Å; F253-S256 VanDerWaalsContact O-N 3.1Å; F253-S256 PolarHBondContact O-OG 2.99Å; F253-V257 HydrophobicContact CD1-CG1 4.46Å; F253-V257 HydrophobicContact CD2-CG1 4.47Å; F253-V257 HydrophobicContact CE1-CG1 3.99Å; F253-V257 HydrophobicContact CE2-CG1 4Å; F253-V257 HydrophobicContact CZ-CG1 3.75Å; F253-V257 WeakPolarHBondContact O-CG2 3.31Å; F253-V257 PolarHBondContact O-N 3.13Å
254	L	81.6	Confident	71.6	Confident	45 Å²	45	93 Å²	93	24%	0.236	47%	0.469	C	S	.	.	H	α-helix	trans	-65.8	-29.4	176.9	-72.3	-173.6	0	0	0	113.4	L215 F250 K251 V257 R258	L215-L254 HydrophobicContact CD1-CB 3.69Å; L215-L254 HydrophobicContact CD1-CD1 4.05Å; L215-L254 HydrophobicContact CD2-CB 4.06Å; L215-L254 HydrophobicContact CD2-CD1 4.11Å; F250-L254 HydrophobicContact CD1-CD1 3.97Å; F250-L254 HydrophobicContact CD1-CG 4.45Å; F250-L254 HydrophobicContact CE1-CD1 3.36Å; F250-L254 HydrophobicContact CE1-CG 4.14Å; F250-L254 HydrophobicContact CE2-CD1 4.18Å; F250-L254 HydrophobicContact CE2-CD2 4.39Å; F250-L254 HydrophobicContact CE2-CG 4.17Å; F250-L254 HydrophobicContact CZ-CD1 3.5Å; F250-L254 VanDerWaalsContact CZ-CD1 3.5Å; F250-L254 HydrophobicContact CZ-CD2 4.33Å; F250-L254 HydrophobicContact CZ-CG 3.99Å; F250-L254 WeakPolarHBondContact O-CB 3.32Å; F250-L254 WeakPolarHBondContact O-CG 3.39Å; F250-L254 PolarHBondContact O-N 3.36Å; K251-L254 PolarHBondContact O-N 3.02Å; L254-V257 HydrophobicContact CD2-CG2 4.42Å; L254-R258 WeakPolarHBondContact O-CG 3.3Å
255	R	77.6	Confident	70.7	Confident	106 Å²	106	96.8 Å²	96.8	40%	0.4	48%	0.483	S	S	.	.	H	α-helix	trans	-72.3	-37	169.4	-73.6	177.4	108.8	153.9	-7.5	111.5	L215 D216 L217 K251 K252 F253 R258	L215-R255 HydrophobicContact CB-CG 4.38Å; L215-R255 WeakPolarHBondContact O-CD 3.15Å; L215-R255 PolarHBondContact O-NE 2.93Å; L215-R255 PolarHBondContact O-NH1 2.82Å; D216-R255 PolarHBondContact O-NH1 2.93Å; D216-R255 PolarHBondContact O-NH2 3Å; D216-R255 IonicContact OD1-CZ 3.49Å; D216-R255 IonicContact OD1-NH2 3.74Å; D216-R255 PolarHBondContact OD1-NH2 3.02Å; L217-R255 PolarHBondContact O-NH1 3.01Å; K251-R255 WeakPolarHBondContact O-CG 3.41Å; K251-R255 PolarHBondContact O-N 3.37Å; K252-R255 PolarHBondContact O-N 3.1Å; F253-R255 VanDerWaalsContact C-N 3.3Å; F253-R255 PolarHBondContact O-N 3.45Å; R255-R258 PolarHBondContact O-N 3.4Å
256	S	74.6	Confident	70	Confident	90 Å²	90	100.4 Å²	100.4	63%	0.629	49%	0.494	S	S	*	.	H	α-helix	trans	-73	-28.3	179.9	66.1	0	0	0	0	114.7	K252 F253	K252-S256 PolarHBondContact O-N 2.98Å; K252-S256 PolarHBondContact O-OG 3.27Å; F253-S256 WeakPolarHBondContact CA-OG 3.36Å; F253-S256 PolarHBondContact O-N 3.37Å; F253-S256 VanDerWaalsContact O-N 3.1Å; F253-S256 PolarHBondContact O-OG 2.99Å
257	V	70.7	Confident	69.2	Low	82 Å²	82	103.8 Å²	103.8	50%	0.497	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.9	176.3	-57	0	0	0	0	113.6	F253 L254	F253-V257 HydrophobicContact CD1-CG1 4.46Å; F253-V257 HydrophobicContact CD2-CG1 4.47Å; F253-V257 HydrophobicContact CE1-CG1 3.99Å; F253-V257 HydrophobicContact CE2-CG1 4Å; F253-V257 HydrophobicContact CZ-CG1 3.75Å; F253-V257 WeakPolarHBondContact O-CG2 3.31Å; F253-V257 PolarHBondContact O-N 3.13Å; L254-V257 HydrophobicContact CD2-CG2 4.42Å
258	R	67.3	Low	67.5	Low	94 Å²	94	111.5 Å²	111.5	36%	0.355	53%	0.526	S	S	.	.	S	Bend	trans	-77.2	131.7	174.1	-90.5	175.9	165.5	176.9	-4	109.9	A208 G212 L254 R255 D260	A208-R258 PolarHBondContact O-NH2 2.97Å; G212-R258 VanDerWaalsContact CA-NH2 3.29Å; G212-R258 VanDerWaalsContact N-NH2 3.18Å; G212-R258 PolarHBondContact O-NH1 3.27Å; L254-R258 WeakPolarHBondContact O-CG 3.3Å; R255-R258 PolarHBondContact O-N 3.4Å; R258-D260 PolarHBondContact O-N 3.42Å
259	P	59.4	Low	66.6	Low	102 Å²	102	115.2 Å²	115.2	66%	0.662	55%	0.552	S	S	*	*			trans	-55.3	123.6	162.3	-21.4	32.9	0	0	0	108.5	R261 L264	P259-R261 PolarHBondContact O-N 3.37Å; P259-R261 VanDerWaalsContact O-N 3.09Å; P259-L264 HydrophobicContact CB-CD1 4.48Å
260	D	63.3	Low	65.1	Low	63 Å²	63	113.7 Å²	113.7	34%	0.337	56%	0.562	S	S	.	*			trans	-64.8	112.2	-176.8	-177.2	-8.6	0	0	0	109.9	R258 D262 K263 L264	R258-D260 PolarHBondContact O-N 3.42Å; D260-D262 PolarHBondContact O-N 3.46Å; D260-D262 WeakPolarHBondContact OD1-CB 3.42Å; D260-D262 PolarHBondContact OD1-N 3.01Å; D260-K263 HydrophobicContact CB-CB 4.36Å; D260-K263 HydrophobicContact CB-CD 3.93Å; D260-K263 HydrophobicContact CB-CG 3.8Å; D260-K263 PolarHBondContact O-N 3.35Å; D260-K263 VanDerWaalsContact O-N 3.09Å; D260-K263 WeakPolarHBondContact OD2-CE 3.48Å; D260-K263 WeakPolarHBondContact OD2-CG 3.48Å; D260-K263 IonicContact OD2-NZ 3.06Å; D260-K263 PolarHBondContact OD2-NZ 2.95Å; D260-L264 PolarHBondContact O-N 3Å
261	R	59.9	Low	63.2	Low	171 Å²	171	119.9 Å²	119.9	65%	0.645	58%	0.582	S	S	*	*	H	α-helix	trans	-61.9	-26.2	-178	-66.9	-178.3	78.7	157.8	4.5	111.5	D209 P259 K263 L264 L265	D209-R261 IonicContact OD1-NH1 3.76Å; D209-R261 PolarHBondContact OD1-NH1 3.16Å; P259-R261 PolarHBondContact O-N 3.37Å; P259-R261 VanDerWaalsContact O-N 3.09Å; R261-K263 VanDerWaalsContact C-N 3.31Å; R261-L264 PolarHBondContact O-N 3.5Å; R261-L265 PolarHBondContact O-N 3.45Å
262	D	58	Low	61.1	Low	120 Å²	120	125.8 Å²	125.8	64%	0.642	61%	0.613	S	S	*	*	H	α-helix	trans	-77.4	-20.5	-179.6	-60.2	-21.1	0	0	0	112.2	D260	D260-D262 PolarHBondContact O-N 3.46Å; D260-D262 WeakPolarHBondContact OD1-CB 3.42Å; D260-D262 PolarHBondContact OD1-N 3.01Å
263	K	57.7	Low	59.1	Low	132 Å²	132	124.4 Å²	124.4	57%	0.574	62%	0.623	S	S	*	*	H	α-helix	trans	-81	-36.2	172.6	-55.7	-172	-157	-37.6	0	111.4	D260 R261 L265 K266 E267	D260-K263 HydrophobicContact CB-CB 4.36Å; D260-K263 HydrophobicContact CB-CD 3.93Å; D260-K263 HydrophobicContact CB-CG 3.8Å; D260-K263 PolarHBondContact O-N 3.35Å; D260-K263 VanDerWaalsContact O-N 3.09Å; D260-K263 WeakPolarHBondContact OD2-CE 3.48Å; D260-K263 WeakPolarHBondContact OD2-CG 3.48Å; D260-K263 IonicContact OD2-NZ 3.06Å; D260-K263 PolarHBondContact OD2-NZ 2.95Å; R261-K263 VanDerWaalsContact C-N 3.31Å; K263-L265 VanDerWaalsContact C-N 3.25Å; K263-L265 PolarHBondContact O-N 3.41Å; K263-K266 PolarHBondContact O-N 3Å; K263-E267 PolarHBondContact O-N 3.39Å
264	L	53.3	Low	57.8	Low	107 Å²	107	124.1 Å²	124.1	56%	0.56	63%	0.633	S	S	*	*	H	α-helix	trans	-68.7	-18.4	177.9	-68.2	171.8	0	0	0	114.1	P259 D260 R261	P259-L264 HydrophobicContact CB-CD1 4.48Å; D260-L264 PolarHBondContact O-N 3Å; R261-L264 PolarHBondContact O-N 3.5Å
265	L	54.6	Low	55.6	Low	154 Å²	154	129.9 Å²	129.9	81%	0.806	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-12.9	169.4	-78.5	170.2	0	0	0	113.7	R261 K263	R261-L265 PolarHBondContact O-N 3.45Å; K263-L265 VanDerWaalsContact C-N 3.25Å; K263-L265 PolarHBondContact O-N 3.41Å
266	K	56.5	Low	53.6	Low	190 Å²	190	130.5 Å²	130.5	83%	0.826	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-34.1	175.2	-75	-178.3	175.7	176.1	0	112.9	K263 R268	K263-K266 PolarHBondContact O-N 3Å; K266-R268 PolarHBondContact O-N 2.99Å
267	E	56.8	Low	52	Low	152 Å²	152	131.8 Å²	131.8	71%	0.71	68%	0.678	S	S	*	*			trans	-95.7	82.1	170.5	-67	-164.5	171.7	0	0	110.6	K263 P269	K263-E267 PolarHBondContact O-N 3.39Å; E267-P269 WeakPolarHBondContact O-CD 3.34Å
268	R	41.7	Very low	50.2	Low	218 Å²	218	136.4 Å²	136.4	82%	0.823	69%	0.694	S	S	*	*			trans	-70.6	120.9	164.7	-171.3	-178.2	-175.6	-173.8	0.8	108.3	K266 G270	K266-R268 PolarHBondContact O-N 2.99Å; R268-G270 PolarHBondContact O-N 3.36Å
269	P	57.8	Low	48.8	Very low	100 Å²	100	135.1 Å²	135.1	65%	0.649	71%	0.71	S	S	*	*			trans	-57.6	133.9	176.8	-25.6	35.9	0	0	0	111.4	E267 W271	E267-P269 WeakPolarHBondContact O-CD 3.34Å; P269-W271 PolarHBondContact O-N 3.09Å
270	G	50.7	Low	47.6	Very low	73 Å²	73	136.5 Å²	136.5	75%	0.753	71%	0.711	S	S	*	*			trans	-71.1	81.6	-162.7	0	0	0	0	0	115.7	R268 M272	R268-G270 PolarHBondContact O-N 3.36Å; G270-M272 PolarHBondContact O-N 3.38Å
271	W	40.7	Very low	46.7	Very low	241 Å²	241	141.3 Å²	141.3	91%	0.913	74%	0.737	S	S	*	*			trans	-83.2	69.7	152.5	-67.8	96.3	0	0	0	109.5	P269	P269-W271 PolarHBondContact O-N 3.09Å
272	M	39.1	Very low	45.7	Very low	167 Å²	167	141.4 Å²	141.4	82%	0.823	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-77.8	124.9	161.5	-70.3	-92.4	72.6	0	0	107.9	G270	G270-M272 PolarHBondContact O-N 3.38Å
273	A	38.5	Very low	45.1	Very low	85 Å²	85	145.9 Å²	145.9	70%	0.702	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-77.1	135.7	161	0	0	0	0	0	108.3
274	P	53.4	Low	44.2	Very low	114 Å²	114	150.9 Å²	150.9	74%	0.74	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-64.3	172	162.1	-17.6	32.2	0	0	0	111.2
275	E	35.8	Very low	44	Very low	167 Å²	167	151.1 Å²	151.1	78%	0.78	78%	0.779	S	S	*	*			trans	78.5	138.4	178.4	-56	-71.3	96.3	0	0	115.7
276	L	36.7	Very low	43.2	Very low	119 Å²	119	153.2 Å²	153.2	62%	0.623	78%	0.781	S	S	*	*			cis	-158.8	152.1	-14	172.8	144.2	0	0	0	108.1	E278	L276-E278 HydrophobicContact CD2-CG 3.6Å; L276-E278 PolarHBondContact O-N 3.05Å
277	S	40.9	Very low	42.4	Very low	116 Å²	116	153.6 Å²	153.6	81%	0.811	78%	0.783	S	S	*	*			trans	-77.6	99.9	174.8	164.1	0	0	0	0	111.3
278	E	32	Very low	41.4	Very low	180 Å²	180	151.1 Å²	151.1	84%	0.841	79%	0.788	S	S	*	*			trans	-101	107.9	163.2	-76.2	-147.4	135.6	0	0	111.5	L276	L276-E278 HydrophobicContact CD2-CG 3.6Å; L276-E278 PolarHBondContact O-N 3.05Å
279	G	37.5	Very low	41.1	Very low	66 Å²	66	145.2 Å²	145.2	68%	0.68	79%	0.787	S	S	*	*			trans	-78.2	149	161.8	0	0	0	0	0	111.2	L281	G279-L281 PolarHBondContact O-N 3.12Å
280	D	34.6	Very low	40.6	Very low	131 Å²	131	146 Å²	146	70%	0.701	79%	0.791	S	S	*	*			trans	-17.1	119.2	157.7	-176.2	18.7	0	0	0	115.7	F282	D280-F282 WeakPolarHBondContact OD1-CD2 3.44Å; D280-F282 WeakPolarHBondContact OD1-CE2 3.47Å
281	L	43.7	Very low	40	Very low	165 Å²	165	152 Å²	152	86%	0.864	80%	0.797	S	S	*	*			trans	-157.6	114	140.2	-105.8	178.5	0	0	0	112.3	G279	G279-L281 PolarHBondContact O-N 3.12Å
282	F	40.5	Very low	40.1	Very low	173 Å²	173	145.6 Å²	145.6	76%	0.759	80%	0.795	S	S	*	*			trans	-49.9	139.2	168	-65	-111.7	0	0	0	112.7	D280	D280-F282 WeakPolarHBondContact OD1-CD2 3.44Å; D280-F282 WeakPolarHBondContact OD1-CE2 3.47Å
283	K	45.2	Very low	40.7	Very low	213 Å²	213	143.4 Å²	143.4	93%	0.926	80%	0.796	S	S	*	*				-173.4	150.1	113	-73.6	-132.6	-179	174.6	0	112.6
284	R	38.1	Very low	40.9	Very low	237 Å²	237	149.8 Å²	149.8	89%	0.894	81%	0.808	S	S	*	*			trans	-114.6	147.7	-178.3	178.9	162.5	-165.1	172.2	8.8	107.4
285	P	49.5	Very low	40.2	Very low	112 Å²	112	147.8 Å²	147.8	73%	0.727	81%	0.808	S	S	*	*				-161	154.9	84.2	40.7	-18.5	0	0	0	122.1
286	K	38	Very low	40.2	Very low	198 Å²	198	144.8 Å²	144.8	86%	0.861	81%	0.806	S	S	*	*			trans	61.6	139.5	150.1	-71.5	172.9	173.9	174.5	0	117.5
287	K	39.9	Very low	40.5	Very low	198 Å²	198	148.6 Å²	148.6	86%	0.861	82%	0.818	S	S	*	*			cis	-161.8	138.4	41.2	-175.3	179.4	178.3	-177	0	113
288	A	35.5	Very low	41	Very low	100 Å²	100	153.6 Å²	153.6	83%	0.826	82%	0.82	S	S	*	*			trans	54.4	133.2	157.6	0	0	0	0	0	122.7
289	A	35.7	Very low	42	Very low	95 Å²	95	152.5 Å²	152.5	79%	0.785	82%	0.819	S	S	*	*			trans	-103.9	-165.8	167.8	0	0	0	0	0	109.5
290	P	46	Very low	42.6	Very low	115 Å²	115	153.6 Å²	153.6	75%	0.747	82%	0.815	S	S	*	*			cis	-122.1	176	-10.8	40.6	-22.7	0	0	0	111.9
291	K	39.1	Very low	42.7	Very low	200 Å²	200	154.9 Å²	154.9	87%	0.87	81%	0.814	S	S	*	*				-161.1	145.1	67.4	-73.8	179.4	179.6	177.4	0	110.8
292	A	43.3	Very low	43.1	Very low	106 Å²	106	157.7 Å²	157.7	88%	0.876	81%	0.814	S	S	*	*			trans	-94.5	140	167.7	0	0	0	0	0	111
293	S	50.4	Low	42.9	Very low	121 Å²	121	153.2 Å²	153.2	85%	0.846	81%	0.809	S	S	*	*			trans	-145.2	132.7	149.8	54.1	0	0	0	0	109.3
294	K	43.8	Very low	42.5	Very low	219 Å²	219	150.8 Å²	150.8	95%	0.952	81%	0.806	S	S	*	*			trans	-57.8	159.5	-174.1	-63	162.9	173.7	175	0	113.7
295	G	38.7	Very low	42.7	Very low	72 Å²	72	142.4 Å²	142.4	74%	0.742	79%	0.793	S	S	*	*			trans	129.1	76.4	163.5	0	0	0	0	0	112.3
296	S	34.7	Very low	42.2	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	80%	0.796	S	S	*	*				72.9	92.5	88.4	-171.7	0	0	0	0	114.2
297	F	44.2	Very low	42.1	Very low	198 Å²	198	143.7 Å²	143.7	87%	0.868	79%	0.792	S	S	*	*			trans	37.3	98.3	143.5	-59.1	-82.9	0	0	0	119.5
298	Y	51.5	Low	41.9	Very low	221 Å²	221	137.8 Å²	137.8	87%	0.867	79%	0.787	S	S	*	*				-160	137	114.3	-142	-104.2	0	0	0	111.3
299	L	51.8	Low	42	Very low	157 Å²	157	142.7 Å²	142.7	82%	0.822	79%	0.79	S	S	*	*			trans	-139.9	154.5	170.8	-92.5	-177.3	0	0	0	108
300	P	51.4	Low	41.8	Very low	90 Å²	90	142.2 Å²	142.2	58%	0.584	79%	0.794	S	S	*	*				-134.8	-172	-109.5	44.1	-30.1	0	0	0	114.5
301	F	36.5	Very low	41.4	Very low	157 Å²	157	147 Å²	147	69%	0.689	80%	0.797	S	S	*	*			trans	70	146.9	170.6	-91.7	-110.2	0	0	0	115.3
302	W	51.1	Low	41.3	Very low	225 Å²	225	143.3 Å²	143.3	85%	0.852	79%	0.794	S	S	*	*			cis	-120.6	125.4	23.7	-69.3	62.3	0	0	0	113.9
303	A	37	Very low	40.8	Very low	79 Å²	79	142.4 Å²	142.4	65%	0.653	78%	0.78	S	S	*	*			trans	-90.5	133.7	154	0	0	0	0	0	108.1
304	N	36.6	Very low	40.4	Very low	162 Å²	162	142.9 Å²	142.9	87%	0.866	78%	0.78	S	S	*	*			trans	-127.7	106	164.5	-125.2	-10.5	0	0	0	108.3
305	G	41.3	Very low	40	Very low	60 Å²	60	140.9 Å²	140.9	62%	0.619	77%	0.774	S	S	*	*			trans	-160.8	95	-174.6	0	0	0	0	0	111.9
306	Q	39.4	Very low	39.5	Very low	170 Å²	170	144.8 Å²	144.8	79%	0.794	78%	0.777	S	S	*	*			trans	-147.3	109.9	160.5	-76.8	-58.3	-62.8	0	0	105.4
307	Q	37.3	Very low	39.3	Very low	167 Å²	167	143.9 Å²	143.9	78%	0.78	78%	0.776	S	S	*	*				82.9	120.7	83.3	-84.4	-94	17	0	0	112.8
308	G	34.9	Very low	38.5	Very low	74 Å²	74	143.5 Å²	143.5	76%	0.763	78%	0.777	S	S	*	*			trans	173.7	47.5	-177.3	0	0	0	0	0	118.3
309	K	37.1	Very low	37.7	Very low	204 Å²	204	138 Å²	138	89%	0.887	78%	0.777	S	S	*	*			trans	20.9	128.9	154.4	-65.6	170.5	176.6	172.9	0	120.4
310	G	31.8	Very low	36.6	Very low	84 Å²	84	137.7 Å²	137.7	87%	0.866	77%	0.771	S	S	*	*			trans	158.1	94.9	148.1	0	0	0	0	0	117.8
311	R	38.4	Very low	35.7	Very low	216 Å²	216	145.4 Å²	145.4	82%	0.815	79%	0.789	S	S	*	*			trans	-104.1	146.8	148	-110.7	-172.7	-166.1	-96.1	4.6	106.5	C313	R311-C313 PolarHBondContact NH1-SG 2.83Å
312	P	35.5	Very low	35.5	Very low	123 Å²	123	145.6 Å²	145.6	80%	0.799	79%	0.789	S	S	*	*				-139.1	173	72.4	36.5	-19.8	0	0	0	115.2
313	C	34.5	Very low	34.4	Very low	87 Å²	87	143.1 Å²	143.1	59%	0.588	79%	0.787	S	S	*	*			trans	-73	165	162.6	-62.8	0	0	0	0	110.2	R311	R311-C313 PolarHBondContact NH1-SG 2.83Å
314	P	40.9	Very low	34.1	Very low	130 Å²	130	148.1 Å²	148.1	84%	0.844	80%	0.797	S	S	*	*				-138.1	165.3	94.7	37.6	-26	0	0	0	115.1
315	H	35.1	Very low	34.3	Very low	178 Å²	178	144.7 Å²	144.7	82%	0.824	78%	0.783	S	S	*	*			trans	-113	123.7	167.7	157.9	85.4	0	0	0	107.5
316	L	29.5	Very low	33.7	Very low	154 Å²	154	152.5 Å²	152.5	81%	0.806	80%	0.796	S	S	*	*			trans	-167.5	169.2	164.7	-144.1	79.6	0	0	0	112.1
317	A	28.9	Very low	33.6	Very low	85 Å²	85	150.9 Å²	150.9	70%	0.702	79%	0.788	S	S	*	*			trans	73.5	93.4	-178.8	0	0	0	0	0	113.8
318	E	28.7	Very low	33.6	Very low	190 Å²	190	148.6 Å²	148.6	89%	0.888	79%	0.788	S	S	*	*				60.9	116.5	58.8	-58.9	-165.7	138.2	0	0	115.3
319	A	33.8	Very low	33.5	Very low	105 Å²	105	153.4 Å²	153.4	87%	0.868	79%	0.788	S	S	*	*			trans	-163.3	88.9	143.6	0	0	0	0	0	109.9
320	E	29.8	Very low	33.9	Very low	151 Å²	151	149.4 Å²	149.4	71%	0.706	78%	0.783	S	S	*	*			trans	-64.5	144.9	161.1	-104.5	-158.1	108.3	0	0	110.6	K322	E320-K322 WeakPolarHBondContact OE1-CE 3.43Å
321	R	32.8	Very low	33.9	Very low	252 Å²	252	153 Å²	153	95%	0.951	78%	0.777	S	S	*	*			trans	-146.2	101.7	148.5	-112.4	-177	-179.5	161.5	1.8	111.6
322	K	30.3	Very low	33.4	Very low	161 Å²	161	150.8 Å²	150.8	70%	0.7	77%	0.774	S	S	*	*			trans	-79.1	171	152	-47.9	-177.6	-179.5	174.2	0	108	E320	E320-K322 WeakPolarHBondContact OE1-CE 3.43Å
323	Q	30	Very low	33.3	Very low	174 Å²	174	154.4 Å²	154.4	81%	0.813	77%	0.773	S	S	*	*			cis	-146.8	142.1	18.2	-60.7	177.6	31.2	0	0	106.6
324	Q	29.6	Very low	33.2	Very low	183 Å²	183	157.5 Å²	157.5	86%	0.855	78%	0.779	S	S	*	*				47.9	159.2	94.1	-85.4	-162.2	30.7	0	0	117.4
325	P	41.2	Very low	33.1	Very low	90 Å²	90	159.3 Å²	159.3	58%	0.584	78%	0.776	S	S	*	*			cis	-134.7	-179.3	-14.5	32.5	-11.2	0	0	0	114.4
326	Y	27.3	Very low	33.9	Very low	225 Å²	225	155.8 Å²	155.8	88%	0.882	77%	0.769	S	S	*	*				163.2	143.4	125.4	-101.3	-83.2	0	0	0	113.2
327	Q	37.5	Very low	34.5	Very low	135 Å²	135	158.4 Å²	158.4	63%	0.631	77%	0.774	S	S	*	*			trans	-123.1	144.8	170.2	-108.2	-86.3	-12.1	0	0	107.2
328	P	37.8	Very low	35.4	Very low	120 Å²	120	159.9 Å²	159.9	78%	0.779	78%	0.777	S	S	*	*				-148.5	150.6	111.7	35.8	-19.3	0	0	0	116.1
329	F	32.4	Very low	35.7	Very low	174 Å²	174	153.7 Å²	153.7	76%	0.763	76%	0.764	S	S	*	*			trans	-76	154.9	161.2	-93.6	-87.4	0	0	0	111.6
330	P	45.1	Very low	36	Very low	121 Å²	121	156.6 Å²	156.6	79%	0.786	76%	0.763	S	S	*	*				-140.5	-162.3	97.8	36.7	-19.7	0	0	0	114.5
331	Q	32.3	Very low	36.2	Very low	158 Å²	158	160.2 Å²	160.2	74%	0.738	77%	0.772	S	S	*	*			trans	-104.2	175.2	-150.5	-59.5	171.6	-58.3	0	0	116.7
332	F	28.8	Very low	36.8	Very low	170 Å²	170	156 Å²	156	75%	0.746	77%	0.768	S	S	*	*			trans	107.7	151.6	143.1	-81.5	-68.7	0	0	0	120.9
333	Y	32.9	Very low	36.9	Very low	200 Å²	200	154.8 Å²	154.8	78%	0.784	77%	0.769	S	S	*	*			trans	76.3	143.3	-179.1	-64.1	-91.5	0	0	0	118.7
334	Q	32.8	Very low	37.5	Very low	151 Å²	151	157.8 Å²	157.8	71%	0.706	77%	0.773	S	S	*	*			cis	-178.2	117.2	-38	164.3	173.2	78.6	0	0	109.5
335	Q	39.4	Very low	37.8	Very low	169 Å²	169	159.5 Å²	159.5	79%	0.79	77%	0.771	S	S	*	*			trans	61.6	175.2	153.5	-66.6	-72.6	11.9	0	0	119.2
336	P	51.2	Low	37.7	Very low	104 Å²	104	163.7 Å²	163.7	68%	0.675	78%	0.783	S	S	*	*			cis	-129.1	159.7	-28.1	22.9	-2.3	0	0	0	115
337	F	42.5	Very low	38.6	Very low	208 Å²	208	158 Å²	158	91%	0.912	77%	0.774	S	S	*	*			trans	-78	140.5	147.2	-91.4	-91.4	0	0	0	110
338	P	47.8	Very low	38.4	Very low	116 Å²	116	158 Å²	158	75%	0.753	77%	0.774	S	S	*	*			trans	-128.5	158.1	130.9	36.3	-27.5	0	0	0	110.2
339	G	33.8	Very low	38.7	Very low	61 Å²	61	160.2 Å²	160.2	63%	0.629	78%	0.776	S	S	*	*			cis	151.8	112.1	7.7	0	0	0	0	0	107.1	Y341	G339-Y341 PolarHBondContact O-N 2.87Å
340	I	39.6	Very low	38.8	Very low	165 Å²	165	155.6 Å²	155.6	85%	0.846	78%	0.777	S	S	*	*			trans	-71.8	112.9	-173.6	-59.5	167.4	0	0	0	108.9
341	Y	34.4	Very low	39.1	Very low	227 Å²	227	159 Å²	159	89%	0.89	79%	0.787	S	S	*	*			trans	-92.9	108.2	165	-98.5	-90.6	0	0	0	110.3	G339	G339-Y341 PolarHBondContact O-N 2.87Å
342	L	45.2	Very low	39.4	Very low	165 Å²	165	158.8 Å²	158.8	86%	0.864	79%	0.787	S	S	*	*			trans	-75.8	111.3	156.1	-79.7	146.2	0	0	0	107.5
343	D	33	Very low	40.3	Very low	135 Å²	135	159.6 Å²	159.6	72%	0.722	79%	0.79	S	S	*	*			trans	-105.2	144.2	158.4	-167.6	21.5	0	0	0	110.7
344	R	42.9	Very low	41.1	Very low	236 Å²	236	160.7 Å²	160.7	89%	0.891	79%	0.792	S	S	*	*			trans	-112.8	84.1	-161.3	-179.6	-158.6	-174.7	-161.9	3.6	109.3
345	R	35	Very low	41.7	Very low	219 Å²	219	161 Å²	161	83%	0.826	79%	0.794	S	S	*	*			trans	-137	113.9	163	-64	-169.3	-168.5	-167.2	3.3	111.5
346	Q	39.7	Very low	42.6	Very low	178 Å²	178	158.8 Å²	158.8	83%	0.832	79%	0.794	S	S	*	*			trans	-75.7	149.6	145.9	-130.3	-156.2	33.2	0	0	107.2
347	P	45.6	Very low	42.9	Very low	105 Å²	105	161.9 Å²	161.9	68%	0.682	80%	0.804	S	S	*	*				-145.3	164.5	87.2	37.1	-20	0	0	0	115.9
348	E	33.6	Very low	43.9	Very low	137 Å²	137	158.8 Å²	158.8	64%	0.64	79%	0.791	S	S	*	*			trans	59.3	114.2	144.3	-62.7	-80.5	85.9	0	0	121.1
349	M	44	Very low	44.9	Very low	166 Å²	166	157 Å²	157	82%	0.818	78%	0.775	S	S	*	*			trans	43.7	101.2	133.7	-52.8	-169.1	-58.1	0	0	120
350	G	35.7	Very low	46.5	Very low	76 Å²	76	162.9 Å²	162.9	78%	0.784	78%	0.779	S	S	*	*			trans	-166.9	108.8	162.7	0	0	0	0	0	112.7	E352	G350-E352 PolarHBondContact O-N 3.18Å
351	L	51.3	Low	47.6	Very low	192 Å²	192	162.1 Å²	162.1	100%	1.005	78%	0.777	S	S	*	*			trans	-76.9	97.3	170.7	-83.9	163.1	0	0	0	109.6
352	E	38.9	Very low	49.3	Very low	155 Å²	155	156.6 Å²	156.6	72%	0.724	77%	0.767	S	S	*	*			trans	-127.3	107.8	159.2	-154.1	-167	-152	0	0	112.2	G350 R354	G350-E352 PolarHBondContact O-N 3.18Å; E352-R354 PolarHBondContact O-N 3.06Å; E352-R354 VanDerWaalsContact O-N 3.07Å
353	K	47	Very low	50.7	Low	187 Å²	187	150.4 Å²	150.4	81%	0.813	74%	0.74	S	S	*	*			trans	-80.6	81.4	177.5	-173.3	-175.7	-176.8	-174.8	0	108.6	Q355	K353-Q355 PolarHBondContact O-N 3.49Å
354	R	48.5	Very low	52.1	Low	222 Å²	222	150.3 Å²	150.3	84%	0.838	74%	0.744	S	S	*	*			trans	-55.3	106.4	176.1	-73.2	-164.2	173.1	-156.6	-0.8	110.5	E352	E352-R354 PolarHBondContact O-N 3.06Å; E352-R354 VanDerWaalsContact O-N 3.07Å
355	Q	47	Very low	53.1	Low	158 Å²	158	149.8 Å²	149.8	74%	0.738	74%	0.742	S	S	*	*			trans	-79.1	133.7	172	-60.6	-169.5	14.5	0	0	108.8	K353 L357	K353-Q355 PolarHBondContact O-N 3.49Å; Q355-L357 PolarHBondContact O-N 3.29Å
356	P	57.3	Low	53.8	Low	123 Å²	123	149.5 Å²	149.5	80%	0.799	76%	0.764	S	S	*	*			trans	-69.9	109.7	162.8	29	-30.2	0	0	0	108	F358	P356-F358 VanDerWaalsContact C-N 3.29Å; P356-F358 PolarHBondContact O-N 3.2Å
357	L	58.4	Low	54.5	Low	169 Å²	169	148.1 Å²	148.1	89%	0.885	76%	0.76	S	S	*	*			trans	-73.3	84.5	175.3	-171.5	72.4	0	0	0	108.9	Q355 D359	Q355-L357 PolarHBondContact O-N 3.29Å; L357-D359 PolarHBondContact O-N 3.19Å
358	F	64.1	Low	55	Low	143 Å²	143	150.3 Å²	150.3	63%	0.627	76%	0.764	S	S	*	*			trans	-76.8	107.7	173.5	-166.1	-93	0	0	0	108.9	P356 Y360	P356-F358 VanDerWaalsContact C-N 3.29Å; P356-F358 PolarHBondContact O-N 3.2Å; F358-Y360 HydrophobicContact CD1-CD1 4.45Å; F358-Y360 HydrophobicContact CD1-CE1 4.35Å; F358-Y360 WeakPolarHBondContact O-CD2 3.46Å; F358-Y360 PolarHBondContact O-N 3.3Å
359	D	67.3	Low	56.2	Low	79 Å²	79	151.1 Å²	151.1	42%	0.422	77%	0.771	S	S	.	*			trans	-83.2	104.4	-179.2	-172.5	0	0	0	0	110.9	L357 N361 T362	L357-D359 PolarHBondContact O-N 3.19Å; D359-N361 PolarHBondContact O-N 3.37Å; D359-N361 WeakPolarHBondContact OD1-CB 3.45Å; D359-N361 PolarHBondContact OD1-N 3.42Å; D359-N361 PolarHBondContact OD1-ND2 3.27Å; D359-T362 PolarHBondContact O-N 3.11Å; D359-T362 VanDerWaalsContact O-N 3.1Å; D359-T362 PolarHBondContact O-OG1 2.86Å
360	Y	67.6	Low	56.9	Low	183 Å²	183	150.2 Å²	150.2	72%	0.718	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-58.9	-17.4	178.6	-66.3	-88.6	0	0	0	113.6	F358 T362 A363	F358-Y360 HydrophobicContact CD1-CD1 4.45Å; F358-Y360 HydrophobicContact CD1-CE1 4.35Å; F358-Y360 WeakPolarHBondContact O-CD2 3.46Å; F358-Y360 PolarHBondContact O-N 3.3Å; Y360-T362 PolarHBondContact O-N 3.04Å; Y360-A363 PolarHBondContact O-N 3.48Å
361	N	63.6	Low	58.2	Low	149 Å²	149	154.8 Å²	154.8	80%	0.797	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-73.3	-9.6	176.8	-59.5	-65.9	0	0	0	114	D359	D359-N361 PolarHBondContact O-N 3.37Å; D359-N361 WeakPolarHBondContact OD1-CB 3.45Å; D359-N361 PolarHBondContact OD1-N 3.42Å; D359-N361 PolarHBondContact OD1-ND2 3.27Å
362	T	68.7	Low	58.7	Low	111 Å²	111	152.3 Å²	152.3	68%	0.681	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-104.4	2.8	175.7	51.6	0	0	0	0	114.2	D359 Y360 V364	D359-T362 PolarHBondContact O-N 3.11Å; D359-T362 VanDerWaalsContact O-N 3.1Å; D359-T362 PolarHBondContact O-OG1 2.86Å; Y360-T362 PolarHBondContact O-N 3.04Å; T362-V364 PolarHBondContact O-N 3.27Å
363	A	75.6	Confident	60.1	Low	35 Å²	35	152.1 Å²	152.1	29%	0.289	75%	0.754	S	S	.	*			trans	-78.4	100.1	178.5	0	0	0	0	0	111.8	Y360 W365	Y360-A363 PolarHBondContact O-N 3.48Å; A363-W365 HydrophobicContact CB-CZ2 4.44Å; A363-W365 PolarHBondContact O-NE1 2.8Å
364	V	62.8	Low	61.1	Low	133 Å²	133	149.5 Å²	149.5	81%	0.806	75%	0.749	S	S	*	*			trans	-82.3	119.8	164.7	-178.4	0	0	0	0	108.7	T362	T362-V364 PolarHBondContact O-N 3.27Å
365	W	63.5	Low	62.2	Low	226 Å²	226	143.4 Å²	143.4	86%	0.856	74%	0.742	S	S	*	*			trans	-88.2	137.2	176.1	-54.5	85.1	0	0	0	109.6	A363	A363-W365 HydrophobicContact CB-CZ2 4.44Å; A363-W365 PolarHBondContact O-NE1 2.8Å
366	V	50.5	Low	63.6	Low	212 Å²	212	142.1 Å²	142.1	100%	1.285	74%	0.742	S	S	*	*			trans	-116.2	0	178.4	-178.1	0	0	0	0	109.1

Retrieved 366 of 366 residues in 285.5 ms (Link to these results)

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