A0A077ZD05_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZD05, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 937 aa.

						>A0A077ZD05_TRITR|A0A077ZD05
MVAGLWGDAVSECEEVGAIDEEVMDIVNFDNDFRVAAIRETSEAHERLLKEILQSWRLSKNDFNEFSVCAPSSRGQLYHVERRLREEREQRRHFFLSDFYALTMFCKSLLPPSKCLSIQAKNKTIETMTAAITDIPTRIRKGKEQYSDRTVGILGKHEAQIKKQKNCVSVIRKLLAKEHDYVNILCVAEASVRAMKRRGKQYLDTTTPDIARDFRRIFERYVSLYMQQRQHGINPTEATLNEADALNRTRFVAGKSSKLEVIRAAMENVAARIVPPGIQIKELSNAILLRVERIAKIDQLSKPMKDSFSNFAQVVKSRSDISVNAKQLLTLMATCLVSIIKELMPKLQEITEKRGNIQTKLNGLAEHVKIKRQECRPHIRLIKHFNNKLPTLHKELASLSRLEAGLRMKLIKLVQHLAESEEQFRLASTDHAEEVDDSRPLTQEELALHQEAIEKVKLRMSYIETEAQAKDLEDLINRKRCHLKLQLAHLQKQAEYTQDEQEGRTNTLEMYKKDNIRLKKYVSDNEAFLRKVDEAIARCNRGKEMPESNQKQYETLEKDCYEIQAEIEKLIKAPDNLYPQIRQLEHEIDSIKNRCREKRRNLHKMQATTSREKEMRQGLAYSRQSRGQFPGLIEKDLKTVDEEVKALQIRFDQVFNNNIEVKGALIEQESTIDRYRRSIARLETDIAMTDMEIDEITCKSKSKERSQMLNEKQKLRMSIRNRHHLTSSQNVPVKEQSFQASPEKQRDLYQEQPASVCQEEVNIRRTFTIHPSRGLPTSYSRDKTPGYGIHAGRTVRSPPEDKQKDNHLKELLTSTKIPDKRLSQDHEDIRDSPEHAWVSYTDGKDIPTVLRTDIGLQSMKPLRQSVQKSYLDAQQRQRAGETSSLEKVKHTASQNAEKQEQQKTSKAENHIPDDRTKRPDPKGDRSMKTPTNTETMQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.1	Very low	40.6	Very low	214 Å²	214	112.1 Å²	112.1	100%	1.054	67%	0.672	S	S	*	*				0	-76.4	0	-72.9	177.4	174.4	0	0	111.7	A3 G4	M1-A3 VanDerWaalsContact C-N 3.28Å; M1-A3 PolarHBondContact O-N 3.16Å; M1-A3 VanDerWaalsContact O-N 3.16Å; M1-G4 PolarHBondContact O-N 3.25Å
2	V	39.6	Very low	40.8	Very low	127 Å²	127	117.3 Å²	117.3	77%	0.77	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-40.4	-176.9	-176.5	0	0	0	0	113.6	G4	V2-G4 PolarHBondContact O-N 2.85Å
3	A	36.3	Very low	40.5	Very low	97 Å²	97	113.5 Å²	113.5	80%	0.802	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-8.9	176.4	0	0	0	0	0	115.5	M1	M1-A3 VanDerWaalsContact C-N 3.28Å; M1-A3 PolarHBondContact O-N 3.16Å; M1-A3 VanDerWaalsContact O-N 3.16Å
4	G	43.1	Very low	40.4	Very low	40 Å²	40	117.9 Å²	117.9	41%	0.412	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	-46.3	174.8	0	0	0	0	0	112.1	M1 V2 W6 G7	M1-G4 PolarHBondContact O-N 3.25Å; V2-G4 PolarHBondContact O-N 2.85Å; G4-W6 PolarHBondContact O-N 3.03Å; G4-G7 PolarHBondContact O-N 2.86Å
5	L	39.6	Very low	40.4	Very low	128 Å²	128	120.9 Å²	120.9	67%	0.67	68%	0.683	S	S	*	*	H	α-helix	trans	-65.4	-9.8	-178.7	-65.6	168.3	0	0	0	114.3
6	W	36.8	Very low	40.2	Very low	199 Å²	199	119.1 Å²	119.1	75%	0.754	68%	0.675	S	S	*	*	H	α-helix	trans	-93.7	-6.4	170.9	-98.7	38.8	0	0	0	114.1	G4 V10	G4-W6 PolarHBondContact O-N 3.03Å; W6-V10 WeakPolarHBondContact O-CG2 3.34Å
7	G	38.9	Very low	40	Very low	43 Å²	43	114.4 Å²	114.4	44%	0.443	66%	0.659	S	S	.	*	H	α-helix	trans	-76.9	-54.9	168	0	0	0	0	0	110.6	G4 V10	G4-G7 PolarHBondContact O-N 2.86Å; G7-V10 PolarHBondContact O-N 3.33Å
8	D	41.8	Very low	39.9	Very low	113 Å²	113	111 Å²	111	60%	0.604	65%	0.647	S	S	*	*	H	α-helix	trans	-66.9	-45.6	-172	-48.7	-39.6	0	0	0	111.9	V10 S11	D8-V10 PolarHBondContact O-N 3.07Å; D8-V10 VanDerWaalsContact O-N 3.07Å; D8-S11 WeakPolarHBondContact O-CB 3.38Å; D8-S11 PolarHBondContact O-N 2.9Å
9	A	39.4	Very low	39.8	Very low	61 Å²	61	110.9 Å²	110.9	50%	0.504	64%	0.642	S	S	.	*	H	α-helix	trans	-67.5	-8.1	-179.5	0	0	0	0	0	115.1
10	V	42.1	Very low	39.8	Very low	108 Å²	108	110.1 Å²	110.1	66%	0.655	64%	0.636	S	S	*	*	H	α-helix	trans	-95.4	-16.7	171.4	176.7	0	0	0	0	111.1	W6 G7 D8	W6-V10 WeakPolarHBondContact O-CG2 3.34Å; G7-V10 PolarHBondContact O-N 3.33Å; D8-V10 PolarHBondContact O-N 3.07Å; D8-V10 VanDerWaalsContact O-N 3.07Å
11	S	44.9	Very low	39.8	Very low	103 Å²	103	111.4 Å²	111.4	72%	0.72	64%	0.636	S	S	*	*	H	α-helix	trans	-84.1	-10.9	-179.4	-163.4	0	0	0	0	114.4	D8	D8-S11 WeakPolarHBondContact O-CB 3.38Å; D8-S11 PolarHBondContact O-N 2.9Å
12	E	42.8	Very low	39.4	Very low	174 Å²	174	107.4 Å²	107.4	81%	0.813	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	2.3	178.9	-62.8	-172.1	143.5	0	0	113.4	E14	E12-E14 PolarHBondContact O-N 3.45Å
13	C	36.4	Very low	39.2	Very low	69 Å²	69	104.2 Å²	104.2	47%	0.466	60%	0.595	S	S	.	*			trans	-99.7	56.6	-177.1	-79.6	0	0	0	0	113.8	E15 V16	C13-E15 PolarHBondContact O-N 3.08Å; C13-V16 HydrophobicContact CB-CB 4.4Å; C13-V16 HydrophobicContact CB-CG2 3.89Å; C13-V16 PolarHBondContact O-N 3.25Å; C13-V16 VanDerWaalsContact O-N 3.08Å
14	E	39.9	Very low	39.2	Very low	175 Å²	175	104.3 Å²	104.3	82%	0.818	58%	0.58	S	S	*	*	H	α-helix	trans	-58	-31.3	172.9	-65.4	-169.2	135.2	0	0	112.3	E12 V16 G17 A18	E12-E14 PolarHBondContact O-N 3.45Å; E14-V16 PolarHBondContact O-N 2.98Å; E14-G17 WeakPolarHBondContact O-CA 3.44Å; E14-G17 PolarHBondContact O-N 3.4Å; E14-A18 PolarHBondContact O-N 3.18Å
15	E	40.2	Very low	39	Very low	162 Å²	162	107.4 Å²	107.4	76%	0.757	59%	0.588	S	S	*	*	H	α-helix	trans	-59.7	-25.2	175	-63.3	-168.6	147.5	0	0	114.1	C13 G17 A18 I19	C13-E15 PolarHBondContact O-N 3.08Å; E15-G17 VanDerWaalsContact C-N 3.34Å; E15-A18 PolarHBondContact O-N 3.27Å; E15-I19 PolarHBondContact O-N 3.5Å
16	V	37.8	Very low	38.7	Very low	93 Å²	93	106.8 Å²	106.8	56%	0.564	58%	0.584	S	S	*	*	H	α-helix	trans	-74.6	-30	175.7	178.6	0	0	0	0	110.9	C13 E14 I19 D20	C13-V16 HydrophobicContact CB-CB 4.4Å; C13-V16 HydrophobicContact CB-CG2 3.89Å; C13-V16 PolarHBondContact O-N 3.25Å; C13-V16 VanDerWaalsContact O-N 3.08Å; E14-V16 PolarHBondContact O-N 2.98Å; V16-I19 PolarHBondContact O-N 3.24Å; V16-D20 PolarHBondContact O-N 3.29Å
17	G	36.5	Very low	38.6	Very low	39 Å²	39	100.8 Å²	100.8	40%	0.402	57%	0.569	S	S	.	*	H	α-helix	trans	-61.1	-48.7	168.4	0	0	0	0	0	111.1	E14 E15 I19 D20 E21	E14-G17 WeakPolarHBondContact O-CA 3.44Å; E14-G17 PolarHBondContact O-N 3.4Å; E15-G17 VanDerWaalsContact C-N 3.34Å; G17-I19 VanDerWaalsContact C-N 3.27Å; G17-I19 PolarHBondContact O-N 3.23Å; G17-D20 PolarHBondContact O-N 3.37Å; G17-E21 WeakPolarHBondContact O-CB 3.47Å; G17-E21 PolarHBondContact O-N 2.9Å
18	A	38.7	Very low	38.7	Very low	53 Å²	53	101.8 Å²	101.8	44%	0.438	56%	0.564	S	S	.	*	H	α-helix	trans	-59	-32.7	179.4	0	0	0	0	0	113.8	E14 E15 E22	E14-A18 PolarHBondContact O-N 3.18Å; E15-A18 PolarHBondContact O-N 3.27Å; A18-E22 PolarHBondContact O-N 2.94Å
19	I	36.4	Very low	38.3	Very low	109 Å²	109	103.9 Å²	103.9	56%	0.559	57%	0.568	S	S	*	*	H	α-helix	trans	-77.9	-38.6	177.6	-64.8	171.8	0	0	0	112.2	E15 V16 G17 E21 V23	E15-I19 PolarHBondContact O-N 3.5Å; V16-I19 PolarHBondContact O-N 3.24Å; G17-I19 VanDerWaalsContact C-N 3.27Å; G17-I19 PolarHBondContact O-N 3.23Å; I19-E21 VanDerWaalsContact C-N 3.3Å; I19-V23 WeakPolarHBondContact O-CB 3.04Å; I19-V23 VanDerWaalsContact O-CG2 3.28Å; I19-V23 WeakPolarHBondContact O-CG2 3.11Å; I19-V23 PolarHBondContact O-N 3.44Å
20	D	40.4	Very low	38.4	Very low	95 Å²	95	104.6 Å²	104.6	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-71.8	-28.2	172.6	-122.2	-17.4	0	0	0	110.6	V16 G17 M24 K196	V16-D20 PolarHBondContact O-N 3.29Å; G17-D20 PolarHBondContact O-N 3.37Å; D20-M24 WeakPolarHBondContact O-CB 3.23Å; D20-M24 WeakPolarHBondContact O-CG 3.5Å; D20-M24 PolarHBondContact O-N 3.26Å; D20-K196 IonicContact OD1-NZ 2.74Å
21	E	39.1	Very low	38.3	Very low	137 Å²	137	103.3 Å²	103.3	64%	0.64	55%	0.553	S	S	*	*	H	α-helix	trans	-67.3	-52.9	167.9	-76.7	-167.9	146.5	0	0	112.4	G17 I19 V23 M24 D25	G17-E21 WeakPolarHBondContact O-CB 3.47Å; G17-E21 PolarHBondContact O-N 2.9Å; I19-E21 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 3.01Å; E21-M24 CarbonylContact O-C 3.52Å; E21-M24 PolarHBondContact O-N 3.19Å; E21-M24 VanDerWaalsContact O-N 3.08Å; E21-D25 WeakPolarHBondContact O-CB 3.33Å; E21-D25 PolarHBondContact O-N 2.83Å
22	E	36	Very low	38.2	Very low	131 Å²	131	103.5 Å²	103.5	61%	0.612	55%	0.546	S	S	*	.	H	α-helix	trans	-54.8	-40.1	175.1	-88.7	-156.8	137.8	0	0	111.9	A18 I26	A18-E22 PolarHBondContact O-N 2.94Å; E22-I26 WeakPolarHBondContact O-CB 3.29Å; E22-I26 WeakPolarHBondContact O-CD1 3.15Å; E22-I26 WeakPolarHBondContact O-CG1 3.04Å; E22-I26 PolarHBondContact O-N 3.39Å
23	V	35.9	Very low	38	Very low	60 Å²	60	102 Å²	102	36%	0.364	54%	0.537	S	S	.	.	H	α-helix	trans	-76.7	-30.7	179.6	173.6	0	0	0	0	112.2	I19 E21 V27	I19-V23 WeakPolarHBondContact O-CB 3.04Å; I19-V23 VanDerWaalsContact O-CG2 3.28Å; I19-V23 WeakPolarHBondContact O-CG2 3.11Å; I19-V23 PolarHBondContact O-N 3.44Å; E21-V23 PolarHBondContact O-N 3.01Å; V23-V27 WeakPolarHBondContact O-CB 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 3.37Å; V23-V27 PolarHBondContact O-N 2.88Å
24	M	37.1	Very low	38.1	Very low	98 Å²	98	104.3 Å²	104.3	48%	0.483	54%	0.536	S	S	.	.	H	α-helix	trans	-68.7	-47.8	169.9	-79.9	-76.9	-72.7	0	0	110.5	D20 E21 V27 N28	D20-M24 WeakPolarHBondContact O-CB 3.23Å; D20-M24 WeakPolarHBondContact O-CG 3.5Å; D20-M24 PolarHBondContact O-N 3.26Å; E21-M24 CarbonylContact O-C 3.52Å; E21-M24 PolarHBondContact O-N 3.19Å; E21-M24 VanDerWaalsContact O-N 3.08Å; M24-V27 CarbonylContact O-C 3.54Å; M24-V27 PolarHBondContact O-N 3.05Å; M24-N28 VanDerWaalsContact O-CB 3.29Å; M24-N28 WeakPolarHBondContact O-CB 3.29Å; M24-N28 PolarHBondContact O-N 3.16Å; M24-N28 PolarHBondContact O-ND2 2.84Å
25	D	37.5	Very low	38.4	Very low	106 Å²	106	100.2 Å²	100.2	57%	0.567	52%	0.522	S	S	*	.	H	α-helix	trans	-61.3	-47.7	177.7	-86.5	1.3	0	0	0	111.2	E21 V27 N28 F29	E21-D25 WeakPolarHBondContact O-CB 3.33Å; E21-D25 PolarHBondContact O-N 2.83Å; D25-V27 VanDerWaalsContact C-N 3.26Å; D25-V27 PolarHBondContact O-N 2.82Å; D25-N28 CarbonylContact O-C 3.47Å; D25-N28 PolarHBondContact O-N 3.21Å; D25-F29 VanDerWaalsContact O-CB 3.25Å; D25-F29 WeakPolarHBondContact O-CB 3.49Å; D25-F29 PolarHBondContact O-N 3.5Å
26	I	34.8	Very low	38.6	Very low	114 Å²	114	94.9 Å²	94.9	59%	0.585	51%	0.507	S	S	*	.	H	α-helix	trans	-60.9	-35.1	176.5	-71	165	0	0	0	112.1	E22 D30	E22-I26 WeakPolarHBondContact O-CB 3.29Å; E22-I26 WeakPolarHBondContact O-CD1 3.15Å; E22-I26 WeakPolarHBondContact O-CG1 3.04Å; E22-I26 PolarHBondContact O-N 3.39Å; I26-D30 PolarHBondContact O-N 2.82Å
27	V	34.3	Very low	38.5	Very low	73 Å²	73	92.4 Å²	92.4	44%	0.442	50%	0.496	S	S	.	.	H	α-helix	trans	-77.3	-35.6	177.5	169.7	0	0	0	0	112.1	V23 M24 D25 N31	V23-V27 WeakPolarHBondContact O-CB 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 3.37Å; V23-V27 PolarHBondContact O-N 2.88Å; M24-V27 CarbonylContact O-C 3.54Å; M24-V27 PolarHBondContact O-N 3.05Å; D25-V27 VanDerWaalsContact C-N 3.26Å; D25-V27 PolarHBondContact O-N 2.82Å; V27-N31 WeakPolarHBondContact O-CB 3.26Å; V27-N31 PolarHBondContact O-N 2.83Å; V27-N31 PolarHBondContact O-ND2 3.24Å
28	N	40.6	Very low	38.7	Very low	65 Å²	65	95.8 Å²	95.8	35%	0.348	50%	0.503	S	S	.	.	H	α-helix	trans	-68.6	-40.5	172.6	-69.5	-22.9	0	0	0	110.2	M24 D25 N31 D32	M24-N28 VanDerWaalsContact O-CB 3.29Å; M24-N28 WeakPolarHBondContact O-CB 3.29Å; M24-N28 PolarHBondContact O-N 3.16Å; M24-N28 PolarHBondContact O-ND2 2.84Å; D25-N28 CarbonylContact O-C 3.47Å; D25-N28 PolarHBondContact O-N 3.21Å; N28-N31 CarbonylContact O-C 3.58Å; N28-N31 PolarHBondContact O-N 3.06Å; N28-D32 VanDerWaalsContact O-CB 3.31Å; N28-D32 WeakPolarHBondContact O-CB 3.24Å; N28-D32 PolarHBondContact O-N 3.34Å
29	F	33.1	Very low	39.2	Very low	156 Å²	156	100.8 Å²	100.8	68%	0.684	51%	0.511	S	S	*	.	H	α-helix	trans	-64.6	-44.1	175.9	-138.6	-83.6	0	0	0	111.5	D25 F33	D25-F29 VanDerWaalsContact O-CB 3.25Å; D25-F29 WeakPolarHBondContact O-CB 3.49Å; D25-F29 PolarHBondContact O-N 3.5Å; F29-F33 WeakPolarHBondContact O-CA 3.44Å; F29-F33 WeakPolarHBondContact O-CB 3.16Å; F29-F33 PolarHBondContact O-N 3.49Å
30	D	41	Very low	39.6	Very low	77 Å²	77	102.2 Å²	102.2	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-67.1	-36	173.8	-169.1	21.1	0	0	0	111	I26 R34	I26-D30 PolarHBondContact O-N 2.82Å; D30-R34 VanDerWaalsContact CG-NE 3.29Å; D30-R34 VanDerWaalsContact O-CB 3.23Å; D30-R34 WeakPolarHBondContact O-CB 3.19Å; D30-R34 WeakPolarHBondContact O-CD 3.4Å; D30-R34 WeakPolarHBondContact O-CG 3.27Å; D30-R34 PolarHBondContact O-N 2.82Å; D30-R34 IonicContact OD1-CZ 2.65Å; D30-R34 IonicContact OD1-NE 3.89Å; D30-R34 PolarHBondContact OD1-NE 3.13Å; D30-R34 IonicContact OD1-NH2 3.13Å; D30-R34 IonicContact OD2-CZ 3.87Å; D30-R34 IonicContact OD2-NE 3.86Å; D30-R34 PolarHBondContact OD2-NE 2.66Å; D30-R34 IonicContact OD2-NH2 3.27Å; D30-R34 PolarHBondContact OD2-NH2 3.4Å
31	N	40.4	Very low	39.8	Very low	80 Å²	80	101.1 Å²	101.1	43%	0.428	51%	0.512	S	S	.	.	H	α-helix	trans	-66.1	-49.6	173.3	-86.1	-27.7	0	0	0	112.9	V27 N28 R34 V35	V27-N31 WeakPolarHBondContact O-CB 3.26Å; V27-N31 PolarHBondContact O-N 2.83Å; V27-N31 PolarHBondContact O-ND2 3.24Å; N28-N31 CarbonylContact O-C 3.58Å; N28-N31 PolarHBondContact O-N 3.06Å; N31-R34 CarbonylContact O-C 3.55Å; N31-R34 WeakPolarHBondContact O-CB 3.42Å; N31-R34 PolarHBondContact O-N 3.17Å; N31-V35 WeakPolarHBondContact O-CB 3.29Å; N31-V35 VanDerWaalsContact O-CG2 3.29Å; N31-V35 WeakPolarHBondContact O-CG2 3.29Å; N31-V35 PolarHBondContact O-N 3.45Å
32	D	43	Very low	40.2	Very low	108 Å²	108	95.7 Å²	95.7	58%	0.578	49%	0.489	S	S	*	.	H	α-helix	trans	-70.8	-35.4	-178.5	-75.9	-23.6	0	0	0	111.2	N28 R34 V35 A36	N28-D32 VanDerWaalsContact O-CB 3.31Å; N28-D32 WeakPolarHBondContact O-CB 3.24Å; N28-D32 PolarHBondContact O-N 3.34Å; D32-R34 VanDerWaalsContact C-N 3.35Å; D32-V35 PolarHBondContact O-N 3.29Å; D32-A36 WeakPolarHBondContact O-CA 3.37Å; D32-A36 WeakPolarHBondContact O-CB 3.38Å; D32-A36 PolarHBondContact O-N 2.62Å
33	F	39	Very low	41.1	Very low	141 Å²	141	92.7 Å²	92.7	62%	0.618	48%	0.475	S	S	*	.	H	α-helix	trans	-68	-34.6	171.6	-160.6	-84.8	0	0	0	111.4	F29 A37	F29-F33 WeakPolarHBondContact O-CA 3.44Å; F29-F33 WeakPolarHBondContact O-CB 3.16Å; F29-F33 PolarHBondContact O-N 3.49Å; F33-A37 VanDerWaalsContact O-CB 3.23Å; F33-A37 WeakPolarHBondContact O-CB 3.41Å; F33-A37 PolarHBondContact O-N 2.82Å
34	R	39	Very low	41.8	Very low	118 Å²	118	92.1 Å²	92.1	45%	0.445	48%	0.477	S	S	.	.	H	α-helix	trans	-70.5	-43.1	171.1	-74.6	166	-172.7	-145.4	6.4	112.7	D30 N31 D32 A36 A37 I38	D30-R34 VanDerWaalsContact CG-NE 3.29Å; D30-R34 VanDerWaalsContact O-CB 3.23Å; D30-R34 WeakPolarHBondContact O-CB 3.19Å; D30-R34 WeakPolarHBondContact O-CD 3.4Å; D30-R34 WeakPolarHBondContact O-CG 3.27Å; D30-R34 PolarHBondContact O-N 2.82Å; D30-R34 IonicContact OD1-CZ 2.65Å; D30-R34 IonicContact OD1-NE 3.89Å; D30-R34 PolarHBondContact OD1-NE 3.13Å; D30-R34 IonicContact OD1-NH2 3.13Å; D30-R34 IonicContact OD2-CZ 3.87Å; D30-R34 IonicContact OD2-NE 3.86Å; D30-R34 PolarHBondContact OD2-NE 2.66Å; D30-R34 IonicContact OD2-NH2 3.27Å; D30-R34 PolarHBondContact OD2-NH2 3.4Å; N31-R34 CarbonylContact O-C 3.55Å; N31-R34 WeakPolarHBondContact O-CB 3.42Å; N31-R34 PolarHBondContact O-N 3.17Å; D32-R34 VanDerWaalsContact C-N 3.35Å; R34-A36 VanDerWaalsContact C-N 3.33Å; R34-A37 PolarHBondContact O-N 3.06Å; R34-I38 VanDerWaalsContact O-CB 3.27Å; R34-I38 WeakPolarHBondContact O-CB 3.29Å; R34-I38 WeakPolarHBondContact O-CD1 3.37Å; R34-I38 WeakPolarHBondContact O-CG1 3.28Å; R34-I38 PolarHBondContact O-N 2.9Å
35	V	45.1	Very low	42.3	Very low	89 Å²	89	90.7 Å²	90.7	54%	0.539	47%	0.469	S	S	.	.	H	α-helix	trans	-65.5	-40.1	176.6	168.7	0	0	0	0	109.7	N31 D32 R39	N31-V35 WeakPolarHBondContact O-CB 3.29Å; N31-V35 VanDerWaalsContact O-CG2 3.29Å; N31-V35 WeakPolarHBondContact O-CG2 3.29Å; N31-V35 PolarHBondContact O-N 3.45Å; D32-V35 PolarHBondContact O-N 3.29Å; V35-R39 WeakPolarHBondContact O-CA 3.21Å; V35-R39 WeakPolarHBondContact O-CB 3.38Å; V35-R39 PolarHBondContact O-N 3.4Å
36	A	44	Very low	43.2	Very low	51 Å²	51	89.6 Å²	89.6	42%	0.421	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-48.2	171.9	0	0	0	0	0	111.5	D32 R34 I38 R39 E40	D32-A36 WeakPolarHBondContact O-CA 3.37Å; D32-A36 WeakPolarHBondContact O-CB 3.38Å; D32-A36 PolarHBondContact O-N 2.62Å; R34-A36 VanDerWaalsContact C-N 3.33Å; A36-I38 PolarHBondContact O-N 3.18Å; A36-R39 CarbonylContact O-C 3.59Å; A36-R39 PolarHBondContact O-N 2.7Å; A36-R39 VanDerWaalsContact O-N 3.11Å; A36-E40 VanDerWaalsContact O-CB 3.31Å; A36-E40 WeakPolarHBondContact O-CB 3.34Å; A36-E40 PolarHBondContact O-N 3.21Å
37	A	36.2	Very low	44.5	Very low	41 Å²	41	91 Å²	91	34%	0.339	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-39.6	176.9	0	0	0	0	0	112.5	F33 R34 R39 T41	F33-A37 VanDerWaalsContact O-CB 3.23Å; F33-A37 WeakPolarHBondContact O-CB 3.41Å; F33-A37 PolarHBondContact O-N 2.82Å; R34-A37 PolarHBondContact O-N 3.06Å; A37-R39 VanDerWaalsContact C-N 3.31Å; A37-T41 WeakPolarHBondContact O-CB 3.19Å; A37-T41 VanDerWaalsContact O-CG2 3.29Å; A37-T41 WeakPolarHBondContact O-CG2 3.33Å; A37-T41 PolarHBondContact O-N 2.77Å; A37-T41 PolarHBondContact O-OG1 2.93Å
38	I	41.6	Very low	45.5	Very low	109 Å²	109	91.6 Å²	91.6	56%	0.559	46%	0.458	S	S	*	.	H	α-helix	trans	-67.1	-33.7	173.2	-70.7	166.5	0	0	0	110.8	R34 A36 T41 S42	R34-I38 VanDerWaalsContact O-CB 3.27Å; R34-I38 WeakPolarHBondContact O-CB 3.29Å; R34-I38 WeakPolarHBondContact O-CD1 3.37Å; R34-I38 WeakPolarHBondContact O-CG1 3.28Å; R34-I38 PolarHBondContact O-N 2.9Å; A36-I38 PolarHBondContact O-N 3.18Å; I38-T41 WeakPolarHBondContact CA-OG1 3.33Å; I38-T41 PolarHBondContact O-OG1 3.38Å; I38-S42 WeakPolarHBondContact O-CB 3.34Å; I38-S42 PolarHBondContact O-N 3.46Å
39	R	49.1	Very low	46.2	Very low	159 Å²	159	89 Å²	89	60%	0.6	44%	0.444	S	S	*	.	H	α-helix	trans	-75.3	-49.2	177.6	178.1	178.3	169.1	-171.6	-8.5	112	V35 A36 A37 S42 E43	V35-R39 WeakPolarHBondContact O-CA 3.21Å; V35-R39 WeakPolarHBondContact O-CB 3.38Å; V35-R39 PolarHBondContact O-N 3.4Å; A36-R39 CarbonylContact O-C 3.59Å; A36-R39 PolarHBondContact O-N 2.7Å; A36-R39 VanDerWaalsContact O-N 3.11Å; A37-R39 VanDerWaalsContact C-N 3.31Å; R39-S42 CarbonylContact O-C 3.58Å; R39-S42 WeakPolarHBondContact O-CA 3.26Å; R39-S42 WeakPolarHBondContact O-CB 3.41Å; R39-S42 PolarHBondContact O-N 3.39Å; R39-S42 VanDerWaalsContact O-N 3.1Å; R39-E43 HydrophobicContact CG-CG 4.43Å; R39-E43 WeakPolarHBondContact CG-OE1 3.24Å; R39-E43 IonicContact CZ-OE1 2.59Å; R39-E43 IonicContact NE-OE1 3.78Å; R39-E43 PolarHBondContact NE-OE1 3.15Å; R39-E43 IonicContact NH2-OE1 2.93Å; R39-E43 PolarHBondContact NH2-OE1 3.3Å; R39-E43 WeakPolarHBondContact O-CB 3.46Å; R39-E43 WeakPolarHBondContact O-CG 3.47Å; R39-E43 PolarHBondContact O-N 3.24Å
40	E	45.2	Very low	47.7	Very low	139 Å²	139	86.9 Å²	86.9	65%	0.65	44%	0.435	S	S	*	.	H	α-helix	trans	-60	-47.1	176.5	-177.7	-178.7	-155.2	0	0	110.5	A36 E43 A44	A36-E40 VanDerWaalsContact O-CB 3.31Å; A36-E40 WeakPolarHBondContact O-CB 3.34Å; A36-E40 PolarHBondContact O-N 3.21Å; E40-E43 PolarHBondContact O-N 3.24Å; E40-A44 WeakPolarHBondContact O-CB 3.47Å; E40-A44 PolarHBondContact O-N 3.26Å
41	T	44.6	Very low	48.7	Very low	71 Å²	71	88.8 Å²	88.8	44%	0.436	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-41.8	171.7	56.2	0	0	0	0	111.3	A37 I38 E43 A44 H45	A37-T41 WeakPolarHBondContact O-CB 3.19Å; A37-T41 VanDerWaalsContact O-CG2 3.29Å; A37-T41 WeakPolarHBondContact O-CG2 3.33Å; A37-T41 PolarHBondContact O-N 2.77Å; A37-T41 PolarHBondContact O-OG1 2.93Å; I38-T41 WeakPolarHBondContact CA-OG1 3.33Å; I38-T41 PolarHBondContact O-OG1 3.38Å; T41-E43 VanDerWaalsContact C-N 3.3Å; T41-E43 PolarHBondContact O-N 3.17Å; T41-A44 PolarHBondContact O-N 2.74Å; T41-H45 VanDerWaalsContact O-CB 3.24Å; T41-H45 WeakPolarHBondContact O-CB 3.49Å; T41-H45 PolarHBondContact O-N 3.19Å; T41-H45 PolarHBondContact O-ND1 3.2Å
42	S	46.7	Very low	49.3	Very low	23 Å²	23	86.3 Å²	86.3	16%	0.161	43%	0.428	C	S	.	.	H	α-helix	trans	-59.2	-37.6	174.1	-179.5	0	0	0	0	113	I38 R39 E46 K143	I38-S42 WeakPolarHBondContact O-CB 3.34Å; I38-S42 PolarHBondContact O-N 3.46Å; R39-S42 CarbonylContact O-C 3.58Å; R39-S42 WeakPolarHBondContact O-CA 3.26Å; R39-S42 WeakPolarHBondContact O-CB 3.41Å; R39-S42 PolarHBondContact O-N 3.39Å; R39-S42 VanDerWaalsContact O-N 3.1Å; S42-E46 WeakPolarHBondContact O-CB 3.34Å; S42-E46 PolarHBondContact O-N 2.85Å; S42-K143 PolarHBondContact OG-NZ 3.18Å
43	E	54.5	Low	50.1	Low	68 Å²	68	82.7 Å²	82.7	32%	0.318	41%	0.408	S	S	.	.	H	α-helix	trans	-76.5	-41.4	179.5	-74.2	179.2	-160.6	0	0	111.4	R39 E40 T41 H45 E46 R47	R39-E43 HydrophobicContact CG-CG 4.43Å; R39-E43 WeakPolarHBondContact CG-OE1 3.24Å; R39-E43 IonicContact CZ-OE1 2.59Å; R39-E43 IonicContact NE-OE1 3.78Å; R39-E43 PolarHBondContact NE-OE1 3.15Å; R39-E43 IonicContact NH2-OE1 2.93Å; R39-E43 PolarHBondContact NH2-OE1 3.3Å; R39-E43 WeakPolarHBondContact O-CB 3.46Å; R39-E43 WeakPolarHBondContact O-CG 3.47Å; R39-E43 PolarHBondContact O-N 3.24Å; E40-E43 PolarHBondContact O-N 3.24Å; T41-E43 VanDerWaalsContact C-N 3.3Å; T41-E43 PolarHBondContact O-N 3.17Å; E43-H45 VanDerWaalsContact C-N 3.35Å; E43-E46 PolarHBondContact O-N 2.88Å; E43-R47 WeakPolarHBondContact O-CG 3.27Å; E43-R47 PolarHBondContact O-N 2.95Å
44	A	50	Low	51.3	Low	49 Å²	49	81.9 Å²	81.9	41%	0.405	41%	0.407	S	S	.	.	H	α-helix	trans	-62.4	-41.4	172.3	0	0	0	0	0	111.7	E40 T41 E46 R47 L48	E40-A44 WeakPolarHBondContact O-CB 3.47Å; E40-A44 PolarHBondContact O-N 3.26Å; T41-A44 PolarHBondContact O-N 2.74Å; A44-E46 VanDerWaalsContact C-N 3.35Å; A44-R47 PolarHBondContact O-N 3.07Å; A44-L48 PolarHBondContact O-N 3.38Å
45	H	48.8	Very low	52.2	Low	67 Å²	67	78.3 Å²	78.3	31%	0.31	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-35.8	171.7	-72.3	129.7	0	0	0	112.7	T41 E43 L48 L49 F105	T41-H45 VanDerWaalsContact O-CB 3.24Å; T41-H45 WeakPolarHBondContact O-CB 3.49Å; T41-H45 PolarHBondContact O-N 3.19Å; T41-H45 PolarHBondContact O-ND1 3.2Å; E43-H45 VanDerWaalsContact C-N 3.35Å; H45-L48 PolarHBondContact O-N 3.08Å; H45-L49 WeakPolarHBondContact O-CB 3.29Å; H45-L49 PolarHBondContact O-N 3.26Å; H45-F105 HydrophobicContact CB-CD2 4.47Å; H45-F105 HydrophobicContact CB-CE2 3.53Å; H45-F105 HydrophobicContact CB-CZ 4.11Å; H45-F105 AromaticContact CD2-CD2 3.69Å; H45-F105 AromaticContact CD2-CE2 3.55Å; H45-F105 AromaticContact CG-CE2 3.48Å; H45-F105 VanDerWaalsContact CG-CE2 3.48Å
46	E	55.2	Low	52.7	Low	84 Å²	84	75.1 Å²	75.1	39%	0.393	38%	0.378	S	S	.	.	H	α-helix	trans	-69.2	-36.2	175.6	-164.5	-176.4	131	0	0	111.9	S42 E43 A44 L49 K50	S42-E46 WeakPolarHBondContact O-CB 3.34Å; S42-E46 PolarHBondContact O-N 2.85Å; E43-E46 PolarHBondContact O-N 2.88Å; A44-E46 VanDerWaalsContact C-N 3.35Å; E46-L49 PolarHBondContact O-N 2.73Å; E46-K50 WeakPolarHBondContact O-CG 3.32Å; E46-K50 PolarHBondContact O-N 3.45Å; E46-K50 WeakPolarHBondContact OE1-CE 3.3Å; E46-K50 IonicContact OE1-NZ 3.67Å; E46-K50 PolarHBondContact OE1-NZ 2.61Å
47	R	62.8	Low	53.4	Low	144 Å²	144	81 Å²	81	54%	0.543	39%	0.389	S	S	.	.	H	α-helix	trans	-61	-50.9	170.2	-66.3	171.9	-150.3	169.8	8.3	110.8	E43 A44 L49 K50 E51	E43-R47 WeakPolarHBondContact O-CG 3.27Å; E43-R47 PolarHBondContact O-N 2.95Å; A44-R47 PolarHBondContact O-N 3.07Å; R47-L49 VanDerWaalsContact C-N 3.29Å; R47-L49 PolarHBondContact O-N 2.84Å; R47-K50 CarbonylContact O-C 3.58Å; R47-K50 WeakPolarHBondContact O-CA 3.35Å; R47-K50 WeakPolarHBondContact O-CB 3.24Å; R47-K50 PolarHBondContact O-N 2.95Å; R47-E51 WeakPolarHBondContact O-CG 3.15Å; R47-E51 PolarHBondContact O-N 3.36Å
48	L	56.1	Low	54.4	Low	84 Å²	84	84 Å²	84	44%	0.44	40%	0.399	S	S	.	.	H	α-helix	trans	-57.5	-40	176.7	-172.4	71.3	0	0	0	112.3	A44 H45 E51 I52	A44-L48 PolarHBondContact O-N 3.38Å; H45-L48 PolarHBondContact O-N 3.08Å; L48-E51 PolarHBondContact O-N 3.13Å; L48-I52 HydrophobicContact CG-CD1 4.07Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 3.13Å
49	L	54.8	Low	54.9	Low	10 Å²	10	80.5 Å²	80.5	5%	0.052	39%	0.385	C	S	.	.	H	α-helix	trans	-63.7	-39.5	174	-103.6	159.7	0	0	0	112.9	H45 E46 R47 L53 F105 I132 I135 I139	H45-L49 WeakPolarHBondContact O-CB 3.29Å; H45-L49 PolarHBondContact O-N 3.26Å; E46-L49 PolarHBondContact O-N 2.73Å; R47-L49 VanDerWaalsContact C-N 3.29Å; R47-L49 PolarHBondContact O-N 2.84Å; L49-L53 VanDerWaalsContact O-CB 3.28Å; L49-L53 WeakPolarHBondContact O-CB 3.39Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.27Å; L49-L53 PolarHBondContact O-N 3.27Å; L49-F105 HydrophobicContact CD1-CE1 3.62Å; L49-F105 HydrophobicContact CD1-CZ 3.74Å; L49-F105 HydrophobicContact CG-CE1 4.43Å; L49-I132 HydrophobicContact CD2-CG2 3.63Å; L49-I135 HydrophobicContact CD1-CG2 3.7Å; L49-I135 HydrophobicContact CD2-CG2 4.45Å; L49-I139 HydrophobicContact CD1-CD1 4.5Å
50	K	63.5	Low	54.8	Low	113 Å²	113	77.2 Å²	77.2	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-68.2	-41.6	175.1	-73	167.8	-175.2	167.7	0	111.3	E46 R47 L53 Q54	E46-K50 WeakPolarHBondContact O-CG 3.32Å; E46-K50 PolarHBondContact O-N 3.45Å; E46-K50 WeakPolarHBondContact OE1-CE 3.3Å; E46-K50 IonicContact OE1-NZ 3.67Å; E46-K50 PolarHBondContact OE1-NZ 2.61Å; R47-K50 CarbonylContact O-C 3.58Å; R47-K50 WeakPolarHBondContact O-CA 3.35Å; R47-K50 WeakPolarHBondContact O-CB 3.24Å; R47-K50 PolarHBondContact O-N 2.95Å; K50-L53 PolarHBondContact O-N 3.37Å; K50-Q54 WeakPolarHBondContact O-CB 3.31Å; K50-Q54 PolarHBondContact O-N 2.9Å
51	E	62.2	Low	54.7	Low	117 Å²	117	76 Å²	76	55%	0.547	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-46.9	175.9	-72.7	166	-163.2	0	0	111.9	R47 L48 Q54 S55	R47-E51 WeakPolarHBondContact O-CG 3.15Å; R47-E51 PolarHBondContact O-N 3.36Å; L48-E51 PolarHBondContact O-N 3.13Å; E51-Q54 PolarHBondContact O-N 3.35Å; E51-S55 PolarHBondContact O-N 3.36Å
52	I	54	Low	54.5	Low	27 Å²	27	78.3 Å²	78.3	14%	0.138	38%	0.382	C	S	.	.	H	α-helix	trans	-63.6	-45	174.8	-65.9	166.4	0	0	0	110.6	L48 Q54 S55 W56	L48-I52 HydrophobicContact CG-CD1 4.07Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 3.13Å; I52-Q54 PolarHBondContact O-N 2.82Å; I52-S55 PolarHBondContact O-N 3.25Å; I52-S55 PolarHBondContact O-OG 3.31Å; I52-S55 VanDerWaalsContact O-OG 3.06Å; I52-W56 HydrophobicContact CG2-CG 4.48Å; I52-W56 VanDerWaalsContact O-CB 3.32Å; I52-W56 WeakPolarHBondContact O-CB 3.37Å; I52-W56 VanDerWaalsContact O-CG 3.3Å; I52-W56 PolarHBondContact O-N 3.27Å
53	L	58.7	Low	54.1	Low	32 Å²	32	81.7 Å²	81.7	17%	0.168	39%	0.394	C	S	.	.	H	α-helix	trans	-62.8	-30.3	174.9	-81.5	170.9	0	0	0	113.1	L49 K50 R57 I132	L49-L53 VanDerWaalsContact O-CB 3.28Å; L49-L53 WeakPolarHBondContact O-CB 3.39Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.27Å; L49-L53 PolarHBondContact O-N 3.27Å; K50-L53 PolarHBondContact O-N 3.37Å; L53-R57 WeakPolarHBondContact O-CB 3.48Å; L53-R57 VanDerWaalsContact O-CG 3.23Å; L53-R57 WeakPolarHBondContact O-CG 3.32Å; L53-R57 PolarHBondContact O-N 2.86Å; L53-R57 VanDerWaalsContact O-N 3.13Å; L53-I132 HydrophobicContact CD1-CG2 4.05Å; L53-I132 HydrophobicContact CD2-CB 4.33Å; L53-I132 HydrophobicContact CD2-CG2 3.65Å; L53-I132 HydrophobicContact CG-CG2 3.8Å
54	Q	65.1	Low	53.4	Low	125 Å²	125	85 Å²	85	58%	0.584	41%	0.414	S	S	*	.	H	α-helix	trans	-78.5	-41.5	178.6	-171.7	166.1	-4.6	0	0	111.2	K50 E51 I52 W56 R57 L58	K50-Q54 WeakPolarHBondContact O-CB 3.31Å; K50-Q54 PolarHBondContact O-N 2.9Å; E51-Q54 PolarHBondContact O-N 3.35Å; I52-Q54 PolarHBondContact O-N 2.82Å; Q54-W56 VanDerWaalsContact C-N 3.32Å; Q54-W56 PolarHBondContact O-N 3.48Å; Q54-R57 PolarHBondContact O-N 3.36Å; Q54-R57 VanDerWaalsContact O-N 3.15Å; Q54-L58 HydrophobicContact CG-CD1 4.39Å; Q54-L58 WeakPolarHBondContact O-CG 3.15Å; Q54-L58 PolarHBondContact O-N 2.88Å
55	S	58.2	Low	52.8	Low	43 Å²	43	91 Å²	91	30%	0.301	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-39.8	172.2	77.7	0	0	0	0	111.4	E51 I52 R57 L58 S59	E51-S55 PolarHBondContact O-N 3.36Å; I52-S55 PolarHBondContact O-N 3.25Å; I52-S55 PolarHBondContact O-OG 3.31Å; I52-S55 VanDerWaalsContact O-OG 3.06Å; S55-R57 VanDerWaalsContact C-N 3.29Å; S55-R57 PolarHBondContact O-N 3.08Å; S55-L58 PolarHBondContact O-N 2.99Å; S55-S59 WeakPolarHBondContact O-CB 3.44Å; S55-S59 PolarHBondContact O-N 3.17Å; S55-S59 PolarHBondContact O-OG 3.48Å
56	W	54.9	Low	51.9	Low	21 Å²	21	94.9 Å²	94.9	8%	0.08	45%	0.45	C	S	.	.	H	α-helix	trans	-69.2	-19.7	174.3	-75.4	34.9	0	0	0	114.4	I52 Q54 S59 F94 F95 D98 M128 I132	I52-W56 HydrophobicContact CG2-CG 4.48Å; I52-W56 VanDerWaalsContact O-CB 3.32Å; I52-W56 WeakPolarHBondContact O-CB 3.37Å; I52-W56 VanDerWaalsContact O-CG 3.3Å; I52-W56 PolarHBondContact O-N 3.27Å; Q54-W56 VanDerWaalsContact C-N 3.32Å; Q54-W56 PolarHBondContact O-N 3.48Å; W56-S59 WeakPolarHBondContact CA-OG 3.48Å; W56-F94 AromaticContact CD1-CE1 3.63Å; W56-F94 AromaticContact CD1-CZ 3.9Å; W56-F94 AromaticContact NE1-CE1 3.61Å; W56-F95 HydrophobicContact CH2-CD1 4.23Å; W56-F95 AromaticContact CH2-CE1 3.93Å; W56-F95 HydrophobicContact CH2-CE1 3.93Å; W56-F95 HydrophobicContact CZ2-CD1 4.2Å; W56-F95 HydrophobicContact CZ2-CE1 4.09Å; W56-F95 HydrophobicContact CZ3-CE1 4.23Å; W56-D98 HydrophobicContact CZ2-CB 4.01Å; W56-D98 PolarHBondContact NE1-OD2 3.49Å; W56-M128 HydrophobicContact CH2-CB 4.19Å; W56-M128 HydrophobicContact CH2-CE 4.07Å; W56-M128 HydrophobicContact CH2-SD 4.36Å; W56-M128 HydrophobicContact CZ3-CB 3.87Å; W56-I132 HydrophobicContact CE3-CD1 4.07Å; W56-I132 HydrophobicContact CH2-CD1 3.56Å; W56-I132 HydrophobicContact CZ2-CD1 4.34Å; W56-I132 HydrophobicContact CZ3-CD1 3.4Å; W56-I132 VanDerWaalsContact CZ3-CD1 3.4Å
57	R	59.5	Low	51	Low	174 Å²	174	96 Å²	96	66%	0.657	47%	0.467	S	S	*	.	H	α-helix	trans	-84.6	-42.2	172	-80.7	172.6	179.5	-165.3	-0	111.4	L53 Q54 S55 K60 N61	L53-R57 WeakPolarHBondContact O-CB 3.48Å; L53-R57 VanDerWaalsContact O-CG 3.23Å; L53-R57 WeakPolarHBondContact O-CG 3.32Å; L53-R57 PolarHBondContact O-N 2.86Å; L53-R57 VanDerWaalsContact O-N 3.13Å; Q54-R57 PolarHBondContact O-N 3.36Å; Q54-R57 VanDerWaalsContact O-N 3.15Å; S55-R57 VanDerWaalsContact C-N 3.29Å; S55-R57 PolarHBondContact O-N 3.08Å; R57-K60 WeakPolarHBondContact O-CB 3.39Å; R57-K60 PolarHBondContact O-N 2.88Å; R57-K60 VanDerWaalsContact O-N 3.09Å; R57-N61 PolarHBondContact O-N 3.01Å
58	L	56.7	Low	49.8	Very low	104 Å²	104	93.8 Å²	93.8	55%	0.545	47%	0.469	S	S	.	.	H	α-helix	trans	-61.9	-48.3	174.4	-66.8	167.3	0	0	0	110.2	Q54 S55 K60 N61 D62	Q54-L58 HydrophobicContact CG-CD1 4.39Å; Q54-L58 WeakPolarHBondContact O-CG 3.15Å; Q54-L58 PolarHBondContact O-N 2.88Å; S55-L58 PolarHBondContact O-N 2.99Å; L58-K60 PolarHBondContact O-N 3.01Å; L58-N61 PolarHBondContact O-N 3.18Å; L58-D62 PolarHBondContact O-N 2.96Å
59	S	53.1	Low	48.8	Very low	37 Å²	37	95.1 Å²	95.1	26%	0.259	48%	0.484	S	S	.	.	H	α-helix	trans	-72.8	12.7	172.7	69.9	0	0	0	0	115.1	S55 W56 F63	S55-S59 WeakPolarHBondContact O-CB 3.44Å; S55-S59 PolarHBondContact O-N 3.17Å; S55-S59 PolarHBondContact O-OG 3.48Å; W56-S59 WeakPolarHBondContact CA-OG 3.48Å; S59-F63 WeakPolarHBondContact O-CD2 3.21Å; S59-F63 WeakPolarHBondContact O-CG 3.5Å
60	K	46.7	Very low	48	Very low	89 Å²	89	99 Å²	99	39%	0.387	52%	0.518	S	S	.	.	H	α-helix	trans	-101.4	-22.3	162.8	-107	-173.7	171.5	-171.9	0	113.4	R57 L58 N64	R57-K60 WeakPolarHBondContact O-CB 3.39Å; R57-K60 PolarHBondContact O-N 2.88Å; R57-K60 VanDerWaalsContact O-N 3.09Å; L58-K60 PolarHBondContact O-N 3.01Å; K60-N64 PolarHBondContact O-ND2 3.09Å
61	N	41.8	Very low	47	Very low	114 Å²	114	96 Å²	96	61%	0.61	51%	0.51	S	S	*	.	H	α-helix	trans	-82.7	-50.4	179.6	-70.1	-2.3	0	0	0	110.6	R57 L58 F63 N64	R57-N61 PolarHBondContact O-N 3.01Å; L58-N61 PolarHBondContact O-N 3.18Å; N61-F63 PolarHBondContact O-N 3.04Å; N61-N64 PolarHBondContact O-N 3.38Å
62	D	42.3	Very low	46	Very low	120 Å²	120	95.6 Å²	95.6	64%	0.642	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-14	-180	-58.5	-16.7	0	0	0	114	L58	L58-D62 PolarHBondContact O-N 2.96Å
63	F	37.4	Very low	45.7	Very low	94 Å²	94	97 Å²	97	41%	0.412	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-4.2	-170.9	-75.7	-105.4	0	0	0	114.3	S59 N61	S59-F63 WeakPolarHBondContact O-CD2 3.21Å; S59-F63 WeakPolarHBondContact O-CG 3.5Å; N61-F63 PolarHBondContact O-N 3.04Å
64	N	40.3	Very low	44.8	Very low	136 Å²	136	106.5 Å²	106.5	73%	0.727	57%	0.566	S	S	*	*	S	Bend	trans	-100.6	-14.2	-175.7	-79.7	-19.4	0	0	0	114.9	K60 N61	K60-N64 PolarHBondContact O-ND2 3.09Å; N61-N64 PolarHBondContact O-N 3.38Å
65	E	36.1	Very low	43.8	Very low	175 Å²	175	102.7 Å²	102.7	82%	0.818	56%	0.56	S	S	*	*			trans	-86.8	-1.3	-173.3	-65	-161.2	137.4	0	0	115.4	S67	E65-S67 PolarHBondContact O-N 3.35Å
66	F	31	Very low	43.3	Very low	150 Å²	150	105 Å²	105	66%	0.658	57%	0.566	S	S	*	*			trans	-79.9	81.6	-176.5	-83.6	-76.3	0	0	0	114.2	V68	F66-V68 PolarHBondContact O-N 3.44Å
67	S	36.2	Very low	42.7	Very low	106 Å²	106	107.9 Å²	107.9	74%	0.741	58%	0.583	S	S	*	*			trans	-70.6	88	163.2	54.2	0	0	0	0	111.3	E65 C69	E65-S67 PolarHBondContact O-N 3.35Å; S67-C69 PolarHBondContact O-N 3.33Å
68	V	36.6	Very low	42.2	Very low	99 Å²	99	106 Å²	106	60%	0.6	58%	0.577	S	S	*	*			trans	-73.9	100.7	179.2	-176.6	0	0	0	0	110.7	F66	F66-V68 PolarHBondContact O-N 3.44Å
69	C	35	Very low	42	Very low	111 Å²	111	106.7 Å²	106.7	75%	0.75	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-61	144.4	167.1	-68	0	0	0	0	110.9	S67	S67-C69 PolarHBondContact O-N 3.33Å
70	A	37.9	Very low	42.1	Very low	92 Å²	92	106.9 Å²	106.9	76%	0.76	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-59.1	130.3	-176.4	0	0	0	0	0	112	S72	A70-S72 PolarHBondContact O-N 3.42Å
71	P	43.9	Very low	42.7	Very low	51 Å²	51	106.6 Å²	106.6	33%	0.331	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-64.8	125.7	179.9	-21.9	33.5	0	0	0	112	Q76 L77 V80	P71-Q76 HydrophobicContact CB-CB 4.05Å; P71-L77 HydrophobicContact CB-CB 4.31Å; P71-L77 HydrophobicContact CB-CD1 4.34Å; P71-L77 HydrophobicContact CG-CD1 4.32Å; P71-V80 HydrophobicContact CG-CG2 4.33Å
72	S	40.6	Very low	43.8	Very low	108 Å²	108	105 Å²	105	76%	0.755	56%	0.562	S	S	*	*	S	Bend	trans	-88.7	0.3	-178.7	63.4	0	0	0	0	114	A70 Q76	A70-S72 PolarHBondContact O-N 3.42Å; S72-Q76 PolarHBondContact OG-OE1 3.43Å
73	S	47.4	Very low	44.6	Very low	56 Å²	56	106.6 Å²	106.6	39%	0.392	56%	0.559	S	S	.	*	S	Bend	trans	-151.7	154.5	179.5	60.8	0	0	0	0	113	G75 Q76 L77	S73-G75 PolarHBondContact O-N 3.07Å; S73-Q76 PolarHBondContact O-N 3.3Å; S73-Q76 VanDerWaalsContact O-N 3.15Å; S73-Q76 WeakPolarHBondContact OG-CB 3.34Å; S73-Q76 VanDerWaalsContact OG-CG 3.31Å; S73-Q76 WeakPolarHBondContact OG-CG 3.31Å; S73-Q76 PolarHBondContact OG-N 3.32Å; S73-L77 PolarHBondContact O-N 2.9Å
74	R	41.3	Very low	45.7	Very low	231 Å²	231	105.5 Å²	105.5	87%	0.872	56%	0.557	S	S	*	*	H	α-helix	trans	-61.1	-30.5	178.3	-167.1	171	-179.7	158	-1.6	113.1	Y78	R74-Y78 PolarHBondContact O-N 3.47Å
75	G	42.7	Very low	46.7	Very low	45 Å²	45	105.4 Å²	105.4	46%	0.464	55%	0.546	S	S	.	.	H	α-helix	trans	-70.5	-42	173.5	0	0	0	0	0	113.2	S73 L77 Y78 H79	S73-G75 PolarHBondContact O-N 3.07Å; G75-L77 VanDerWaalsContact C-N 3.34Å; G75-Y78 PolarHBondContact O-N 3.08Å; G75-H79 PolarHBondContact O-CD2 2.95Å; G75-H79 PolarHBondContact O-N 3.37Å
76	Q	48.9	Very low	48	Very low	92 Å²	92	100.5 Å²	100.5	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-63.4	-40.9	170.9	-74.8	174.1	-5.2	0	0	111.5	P71 S72 S73 Y78 H79 V80	P71-Q76 HydrophobicContact CB-CB 4.05Å; S72-Q76 PolarHBondContact OG-OE1 3.43Å; S73-Q76 PolarHBondContact O-N 3.3Å; S73-Q76 VanDerWaalsContact O-N 3.15Å; S73-Q76 WeakPolarHBondContact OG-CB 3.34Å; S73-Q76 VanDerWaalsContact OG-CG 3.31Å; S73-Q76 WeakPolarHBondContact OG-CG 3.31Å; S73-Q76 PolarHBondContact OG-N 3.32Å; Q76-Y78 VanDerWaalsContact C-N 3.3Å; Q76-Y78 PolarHBondContact O-N 3.39Å; Q76-H79 PolarHBondContact O-N 2.8Å; Q76-H79 VanDerWaalsContact O-N 3.16Å; Q76-V80 WeakPolarHBondContact O-CB 3.27Å; Q76-V80 WeakPolarHBondContact O-CG2 3.26Å; Q76-V80 PolarHBondContact O-N 2.86Å
77	L	41.1	Very low	49.1	Very low	82 Å²	82	96 Å²	96	43%	0.429	50%	0.504	S	S	.	.	H	α-helix	trans	-58.8	-42.3	176.5	-161.6	116.7	0	0	0	111.2	P71 S73 G75 V80 E81	P71-L77 HydrophobicContact CB-CB 4.31Å; P71-L77 HydrophobicContact CB-CD1 4.34Å; P71-L77 HydrophobicContact CG-CD1 4.32Å; S73-L77 PolarHBondContact O-N 2.9Å; G75-L77 VanDerWaalsContact C-N 3.34Å; L77-V80 PolarHBondContact O-N 3.15Å; L77-E81 WeakPolarHBondContact O-CB 3.25Å; L77-E81 PolarHBondContact O-N 3.43Å
78	Y	49	Very low	50.1	Low	134 Å²	134	99 Å²	99	53%	0.525	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-42.2	173.5	-172.3	-103.3	0	0	0	113.1	R74 G75 Q76 V80 R82	R74-Y78 PolarHBondContact O-N 3.47Å; G75-Y78 PolarHBondContact O-N 3.08Å; Q76-Y78 VanDerWaalsContact C-N 3.3Å; Q76-Y78 PolarHBondContact O-N 3.39Å; Y78-V80 PolarHBondContact O-N 3.32Å; Y78-R82 WeakPolarHBondContact O-CB 3.15Å; Y78-R82 PolarHBondContact O-N 3.3Å
79	H	53.8	Low	51	Low	119 Å²	119	99.9 Å²	99.9	55%	0.551	50%	0.497	S	S	*	.	H	α-helix	trans	-66.6	-33.4	175.3	-87	-72.3	0	0	0	113.6	G75 Q76 R83	G75-H79 PolarHBondContact O-CD2 2.95Å; G75-H79 PolarHBondContact O-N 3.37Å; Q76-H79 PolarHBondContact O-N 2.8Å; Q76-H79 VanDerWaalsContact O-N 3.16Å; H79-R83 PolarHBondContact O-N 2.76Å; H79-R83 VanDerWaalsContact O-N 3.07Å
80	V	55.2	Low	52	Low	40 Å²	40	100.7 Å²	100.7	24%	0.242	49%	0.49	C	S	.	.	H	α-helix	trans	-72.9	-47.1	174.9	170	0	0	0	0	110.1	P71 Q76 L77 Y78 R82 R83 L84	P71-V80 HydrophobicContact CG-CG2 4.33Å; Q76-V80 WeakPolarHBondContact O-CB 3.27Å; Q76-V80 WeakPolarHBondContact O-CG2 3.26Å; Q76-V80 PolarHBondContact O-N 2.86Å; L77-V80 PolarHBondContact O-N 3.15Å; Y78-V80 PolarHBondContact O-N 3.32Å; V80-R82 VanDerWaalsContact C-N 3.29Å; V80-R82 PolarHBondContact O-N 3.24Å; V80-R83 PolarHBondContact O-N 2.93Å; V80-L84 HydrophobicContact CG1-CD1 3.79Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 VanDerWaalsContact O-CB 3.32Å; V80-L84 WeakPolarHBondContact O-CB 3.41Å; V80-L84 VanDerWaalsContact O-CG 3.22Å; V80-L84 WeakPolarHBondContact O-CG 3.24Å; V80-L84 PolarHBondContact O-N 2.96Å
81	E	59.1	Low	52.6	Low	83 Å²	83	101.4 Å²	101.4	39%	0.388	47%	0.473	S	S	.	.	H	α-helix	trans	-55.3	-44.9	171.3	-91.5	-161.6	-135	0	0	112.1	L77 L84 R85	L77-E81 WeakPolarHBondContact O-CB 3.25Å; L77-E81 PolarHBondContact O-N 3.43Å; E81-L84 CarbonylContact O-C 3.57Å; E81-L84 PolarHBondContact O-N 3.31Å; E81-R85 WeakPolarHBondContact O-CG 3.3Å; E81-R85 PolarHBondContact O-N 2.96Å; E81-R85 IonicContact OE2-CZ 3.65Å; E81-R85 IonicContact OE2-NE 2.63Å; E81-R85 IonicContact OE2-NH2 2.65Å; E81-R85 PolarHBondContact OE2-NH2 3.38Å
82	R	64.8	Low	53	Low	82 Å²	82	107.2 Å²	107.2	31%	0.309	49%	0.488	S	S	.	.	H	α-helix	trans	-63.4	-50.2	-179	-178.1	175.7	173.1	152.1	9.6	111.4	Y78 V80 L84 R85 E86 T505	Y78-R82 WeakPolarHBondContact O-CB 3.15Å; Y78-R82 PolarHBondContact O-N 3.3Å; V80-R82 VanDerWaalsContact C-N 3.29Å; V80-R82 PolarHBondContact O-N 3.24Å; R82-L84 VanDerWaalsContact C-N 3.3Å; R82-L84 PolarHBondContact O-N 3.41Å; R82-R85 WeakPolarHBondContact O-CB 3.27Å; R82-R85 PolarHBondContact O-N 3.02Å; R82-E86 IonicContact CZ-OE1 2.67Å; R82-E86 VanDerWaalsContact CZ-OE1 3.23Å; R82-E86 IonicContact NE-OE1 3.32Å; R82-E86 PolarHBondContact NE-OE1 3.36Å; R82-E86 IonicContact NE-OE2 3.49Å; R82-E86 IonicContact NH2-OE1 3.8Å; R82-E86 PolarHBondContact NH2-OE1 2.71Å; R82-E86 WeakPolarHBondContact O-CG 3.46Å; R82-E86 PolarHBondContact O-N 3.03Å; R82-T505 PolarHBondContact NH1-OG1 2.85Å; R82-T505 PolarHBondContact NH2-OG1 2.65Å
83	R	58.5	Low	53.5	Low	153 Å²	153	108.6 Å²	108.6	58%	0.577	48%	0.482	S	S	*	.	H	α-helix	trans	-60.5	-39.1	174	-90	-170.5	-78.6	177.5	-7.6	112.1	H79 V80 R85 E86 E87	H79-R83 PolarHBondContact O-N 2.76Å; H79-R83 VanDerWaalsContact O-N 3.07Å; V80-R83 PolarHBondContact O-N 2.93Å; R83-R85 VanDerWaalsContact C-N 3.3Å; R83-R85 PolarHBondContact O-N 2.85Å; R83-E86 PolarHBondContact O-N 3.16Å; R83-E87 VanDerWaalsContact O-CB 3.31Å; R83-E87 WeakPolarHBondContact O-CB 3.4Å; R83-E87 PolarHBondContact O-N 3.23Å
84	L	59.5	Low	53.4	Low	71 Å²	71	109.5 Å²	109.5	37%	0.372	48%	0.479	S	S	.	.	H	α-helix	trans	-64.7	-30.4	174.3	-73.6	169.4	0	0	0	113	V80 E81 R82 R88	V80-L84 HydrophobicContact CG1-CD1 3.79Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 VanDerWaalsContact O-CB 3.32Å; V80-L84 WeakPolarHBondContact O-CB 3.41Å; V80-L84 VanDerWaalsContact O-CG 3.22Å; V80-L84 WeakPolarHBondContact O-CG 3.24Å; V80-L84 PolarHBondContact O-N 2.96Å; E81-L84 CarbonylContact O-C 3.57Å; E81-L84 PolarHBondContact O-N 3.31Å; R82-L84 VanDerWaalsContact C-N 3.3Å; R82-L84 PolarHBondContact O-N 3.41Å; L84-R88 VanDerWaalsContact O-CB 3.23Å; L84-R88 WeakPolarHBondContact O-CB 3.44Å; L84-R88 VanDerWaalsContact O-CD 3.23Å; L84-R88 WeakPolarHBondContact O-CD 3.27Å; L84-R88 WeakPolarHBondContact O-CG 3.43Å; L84-R88 PolarHBondContact O-N 3.29Å
85	R	63.1	Low	53.8	Low	134 Å²	134	101 Å²	101	51%	0.506	45%	0.449	S	S	.	.	H	α-helix	trans	-73	-49.3	171.7	-69.6	175.5	-154.4	-179.3	6.6	111.2	E81 R82 R83 E87 R88 E89	E81-R85 WeakPolarHBondContact O-CG 3.3Å; E81-R85 PolarHBondContact O-N 2.96Å; E81-R85 IonicContact OE2-CZ 3.65Å; E81-R85 IonicContact OE2-NE 2.63Å; E81-R85 IonicContact OE2-NH2 2.65Å; E81-R85 PolarHBondContact OE2-NH2 3.38Å; R82-R85 WeakPolarHBondContact O-CB 3.27Å; R82-R85 PolarHBondContact O-N 3.02Å; R83-R85 VanDerWaalsContact C-N 3.3Å; R83-R85 PolarHBondContact O-N 2.85Å; R85-E87 VanDerWaalsContact C-N 3.34Å; R85-E87 PolarHBondContact O-N 3.22Å; R85-R88 CarbonylContact O-C 3.58Å; R85-R88 PolarHBondContact O-N 2.93Å; R85-E89 WeakPolarHBondContact O-CB 3.39Å; R85-E89 PolarHBondContact O-N 3.41Å
86	E	61.6	Low	54.1	Low	71 Å²	71	104.1 Å²	104.1	33%	0.332	45%	0.454	S	S	.	.	H	α-helix	trans	-60.9	-41.9	179.7	-70.7	166.1	161.7	0	0	111	R82 R83 E89 Q90	R82-E86 IonicContact CZ-OE1 2.67Å; R82-E86 VanDerWaalsContact CZ-OE1 3.23Å; R82-E86 IonicContact NE-OE1 3.32Å; R82-E86 PolarHBondContact NE-OE1 3.36Å; R82-E86 IonicContact NE-OE2 3.49Å; R82-E86 IonicContact NH2-OE1 3.8Å; R82-E86 PolarHBondContact NH2-OE1 2.71Å; R82-E86 WeakPolarHBondContact O-CG 3.46Å; R82-E86 PolarHBondContact O-N 3.03Å; R83-E86 PolarHBondContact O-N 3.16Å; E86-E89 PolarHBondContact O-N 3.06Å; E86-Q90 WeakPolarHBondContact O-CG 3.39Å; E86-Q90 PolarHBondContact O-N 2.71Å
87	E	54.4	Low	54.1	Low	56 Å²	56	102.9 Å²	102.9	26%	0.262	46%	0.455	S	S	.	.	H	α-helix	trans	-63.4	-45	168.7	-84.5	-170.3	-133	0	0	113	R83 R85 E89 Q90 R91	R83-E87 VanDerWaalsContact O-CB 3.31Å; R83-E87 WeakPolarHBondContact O-CB 3.4Å; R83-E87 PolarHBondContact O-N 3.23Å; R85-E87 VanDerWaalsContact C-N 3.34Å; R85-E87 PolarHBondContact O-N 3.22Å; E87-E89 PolarHBondContact O-N 2.98Å; E87-Q90 PolarHBondContact O-N 3.26Å; E87-R91 WeakPolarHBondContact O-CB 3.18Å; E87-R91 WeakPolarHBondContact O-CD 3.32Å; E87-R91 WeakPolarHBondContact O-CG 3.45Å; E87-R91 PolarHBondContact O-N 3.27Å; E87-R91 IonicContact OE2-CZ 2.68Å; E87-R91 IonicContact OE2-NE 3.23Å; E87-R91 PolarHBondContact OE2-NE 3.27Å; E87-R91 IonicContact OE2-NH2 2.71Å; E87-R91 PolarHBondContact OE2-NH2 2.59Å
88	R	57.3	Low	54.6	Low	168 Å²	168	100.1 Å²	100.1	63%	0.634	44%	0.441	S	S	*	.	H	α-helix	trans	-61.1	-31	176.9	-80.2	167.1	-175.1	-173.5	2.2	111.8	L84 R85 R92	L84-R88 VanDerWaalsContact O-CB 3.23Å; L84-R88 WeakPolarHBondContact O-CB 3.44Å; L84-R88 VanDerWaalsContact O-CD 3.23Å; L84-R88 WeakPolarHBondContact O-CD 3.27Å; L84-R88 WeakPolarHBondContact O-CG 3.43Å; L84-R88 PolarHBondContact O-N 3.29Å; R85-R88 CarbonylContact O-C 3.58Å; R85-R88 PolarHBondContact O-N 2.93Å; R88-R92 VanDerWaalsContact O-CB 3.31Å; R88-R92 WeakPolarHBondContact O-CB 3.25Å; R88-R92 VanDerWaalsContact O-CG 3.31Å; R88-R92 WeakPolarHBondContact O-CG 3.35Å; R88-R92 PolarHBondContact O-N 3.38Å
89	E	56.6	Low	54.7	Low	119 Å²	119	96.3 Å²	96.3	56%	0.556	43%	0.427	S	S	*	.	H	α-helix	trans	-79.2	-40.8	178.4	-162.1	136.8	-112.2	0	0	112.1	R85 E86 E87 R92 H93	R85-E89 WeakPolarHBondContact O-CB 3.39Å; R85-E89 PolarHBondContact O-N 3.41Å; E86-E89 PolarHBondContact O-N 3.06Å; E87-E89 PolarHBondContact O-N 2.98Å; E89-R92 WeakPolarHBondContact O-CB 3.39Å; E89-R92 PolarHBondContact O-N 2.91Å; E89-H93 PolarHBondContact O-N 3.45Å
90	Q	54.6	Low	54.4	Low	127 Å²	127	98 Å²	98	59%	0.593	43%	0.43	S	S	*	.	H	α-helix	trans	-62.2	-47.7	168.7	-73.4	-177.6	3.1	0	0	111.8	E86 E87 R92 H93 F94	E86-Q90 WeakPolarHBondContact O-CG 3.39Å; E86-Q90 PolarHBondContact O-N 2.71Å; E87-Q90 PolarHBondContact O-N 3.26Å; Q90-R92 VanDerWaalsContact C-N 3.32Å; Q90-R92 PolarHBondContact O-N 2.93Å; Q90-H93 PolarHBondContact O-N 2.88Å; Q90-H93 VanDerWaalsContact O-N 3.14Å; Q90-F94 WeakPolarHBondContact O-CB 3.21Å; Q90-F94 PolarHBondContact O-N 2.95Å
91	R	51.6	Low	54.1	Low	107 Å²	107	98.3 Å²	98.3	40%	0.404	44%	0.437	S	S	.	.	H	α-helix	trans	-54.9	-47.5	172.6	-70.3	166.4	-168.3	-131.2	9.2	109.9	E87 H93 F95	E87-R91 WeakPolarHBondContact O-CB 3.18Å; E87-R91 WeakPolarHBondContact O-CD 3.32Å; E87-R91 WeakPolarHBondContact O-CG 3.45Å; E87-R91 PolarHBondContact O-N 3.27Å; E87-R91 IonicContact OE2-CZ 2.68Å; E87-R91 IonicContact OE2-NE 3.23Å; E87-R91 PolarHBondContact OE2-NE 3.27Å; E87-R91 IonicContact OE2-NH2 2.71Å; E87-R91 PolarHBondContact OE2-NH2 2.59Å; R91-H93 PolarHBondContact O-N 3.44Å; R91-F95 WeakPolarHBondContact O-CB 3.43Å; R91-F95 VanDerWaalsContact O-CD2 3.23Å; R91-F95 WeakPolarHBondContact O-CD2 3.48Å; R91-F95 PolarHBondContact O-N 2.88Å
92	R	52.7	Low	53.7	Low	173 Å²	173	95 Å²	95	65%	0.653	42%	0.422	S	S	*	.	H	α-helix	trans	-58.1	-47.3	174.4	-88.7	179.1	169.1	-168.8	-3.2	112.4	R88 E89 Q90 L96	R88-R92 VanDerWaalsContact O-CB 3.31Å; R88-R92 WeakPolarHBondContact O-CB 3.25Å; R88-R92 VanDerWaalsContact O-CG 3.31Å; R88-R92 WeakPolarHBondContact O-CG 3.35Å; R88-R92 PolarHBondContact O-N 3.38Å; E89-R92 WeakPolarHBondContact O-CB 3.39Å; E89-R92 PolarHBondContact O-N 2.91Å; Q90-R92 VanDerWaalsContact C-N 3.32Å; Q90-R92 PolarHBondContact O-N 2.93Å; R92-L96 WeakPolarHBondContact O-CB 3.28Å; R92-L96 WeakPolarHBondContact O-CD1 3.4Å; R92-L96 WeakPolarHBondContact O-CG 3.47Å; R92-L96 PolarHBondContact O-N 3.37Å
93	H	49.8	Very low	53	Low	138 Å²	138	91.6 Å²	91.6	64%	0.639	41%	0.41	S	S	*	.	H	α-helix	trans	-64.6	-46.7	-179	-100.6	-70.8	0	0	0	112.7	E89 Q90 R91 L96 S97	E89-H93 PolarHBondContact O-N 3.45Å; Q90-H93 PolarHBondContact O-N 2.88Å; Q90-H93 VanDerWaalsContact O-N 3.14Å; R91-H93 PolarHBondContact O-N 3.44Å; H93-L96 PolarHBondContact O-N 2.82Å; H93-S97 PolarHBondContact O-N 3.28Å; H93-S97 PolarHBondContact O-OG 2.92Å
94	F	46.1	Very low	52.5	Low	75 Å²	75	88.5 Å²	88.5	33%	0.329	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-47	177.7	-172.1	-94.8	0	0	0	111.5	W56 Q90 L96 S97 D98	W56-F94 AromaticContact CD1-CE1 3.63Å; W56-F94 AromaticContact CD1-CZ 3.9Å; W56-F94 AromaticContact NE1-CE1 3.61Å; Q90-F94 WeakPolarHBondContact O-CB 3.21Å; Q90-F94 PolarHBondContact O-N 2.95Å; F94-L96 VanDerWaalsContact C-N 3.32Å; F94-L96 PolarHBondContact O-N 3.38Å; F94-S97 PolarHBondContact O-OG 3.1Å; F94-D98 WeakPolarHBondContact O-CB 3.42Å; F94-D98 PolarHBondContact O-N 3Å
95	F	49.3	Very low	51.9	Low	53 Å²	53	86.2 Å²	86.2	23%	0.232	39%	0.391	C	S	.	.	H	α-helix	trans	-64.8	-34	173.9	-82.1	-66.1	0	0	0	112.5	W56 R91 F99 I125 M128	W56-F95 HydrophobicContact CH2-CD1 4.23Å; W56-F95 AromaticContact CH2-CE1 3.93Å; W56-F95 HydrophobicContact CH2-CE1 3.93Å; W56-F95 HydrophobicContact CZ2-CD1 4.2Å; W56-F95 HydrophobicContact CZ2-CE1 4.09Å; W56-F95 HydrophobicContact CZ3-CE1 4.23Å; R91-F95 WeakPolarHBondContact O-CB 3.43Å; R91-F95 VanDerWaalsContact O-CD2 3.23Å; R91-F95 WeakPolarHBondContact O-CD2 3.48Å; R91-F95 PolarHBondContact O-N 2.88Å; F95-F99 WeakPolarHBondContact O-CA 3.43Å; F95-F99 WeakPolarHBondContact O-CB 3.27Å; F95-F99 PolarHBondContact O-N 3.45Å; F95-I125 HydrophobicContact CE1-CG1 4.3Å; F95-I125 HydrophobicContact CE2-CD1 3.96Å; F95-I125 HydrophobicContact CE2-CG1 4.23Å; F95-I125 HydrophobicContact CZ-CD1 3.67Å; F95-I125 HydrophobicContact CZ-CG1 3.64Å; F95-I125 HydrophobicContact CZ-CG2 4.3Å; F95-M128 HydrophobicContact CD1-CE 4.19Å; F95-M128 HydrophobicContact CD1-SD 4.1Å; F95-M128 HydrophobicContact CE1-SD 4.1Å
96	L	49.2	Very low	51.1	Low	110 Å²	110	80.1 Å²	80.1	58%	0.576	37%	0.368	S	S	*	.	H	α-helix	trans	-74	-38.8	179.4	-77.9	167.5	0	0	0	113.4	R92 H93 F94 Y100	R92-L96 WeakPolarHBondContact O-CB 3.28Å; R92-L96 WeakPolarHBondContact O-CD1 3.4Å; R92-L96 WeakPolarHBondContact O-CG 3.47Å; R92-L96 PolarHBondContact O-N 3.37Å; H93-L96 PolarHBondContact O-N 2.82Å; F94-L96 VanDerWaalsContact C-N 3.32Å; F94-L96 PolarHBondContact O-N 3.38Å; L96-Y100 WeakPolarHBondContact O-CB 3.32Å; L96-Y100 PolarHBondContact O-N 3.48Å
97	S	49.4	Very low	50.4	Low	65 Å²	65	82.5 Å²	82.5	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-51.2	174.1	52.5	0	0	0	0	110.7	H93 F94 Y100 A101	H93-S97 PolarHBondContact O-N 3.28Å; H93-S97 PolarHBondContact O-OG 2.92Å; F94-S97 PolarHBondContact O-OG 3.1Å; S97-Y100 PolarHBondContact O-N 2.91Å; S97-A101 PolarHBondContact O-N 3.17Å
98	D	51.7	Low	49.9	Very low	24 Å²	24	83.7 Å²	83.7	13%	0.128	39%	0.392	C	S	.	.	H	α-helix	trans	-74.3	-38.9	-171.5	-68	23.3	0	0	0	110.6	W56 F94 Y100 A101 L102	W56-D98 HydrophobicContact CZ2-CB 4.01Å; W56-D98 PolarHBondContact NE1-OD2 3.49Å; F94-D98 WeakPolarHBondContact O-CB 3.42Å; F94-D98 PolarHBondContact O-N 3Å; D98-Y100 VanDerWaalsContact C-N 3.34Å; D98-A101 PolarHBondContact O-N 2.9Å; D98-L102 WeakPolarHBondContact O-CB 3.44Å; D98-L102 PolarHBondContact O-N 3.03Å
99	F	49.6	Very low	49.3	Very low	54 Å²	54	79.3 Å²	79.3	24%	0.237	38%	0.381	C	S	.	.	H	α-helix	trans	-68.4	-30.8	172.5	-174.3	-107.7	0	0	0	112.5	F95 T103 Q119 M128	F95-F99 WeakPolarHBondContact O-CA 3.43Å; F95-F99 WeakPolarHBondContact O-CB 3.27Å; F95-F99 PolarHBondContact O-N 3.45Å; F99-T103 WeakPolarHBondContact O-CA 3.48Å; F99-T103 WeakPolarHBondContact O-CB 3.42Å; F99-T103 PolarHBondContact O-N 2.88Å; F99-T103 PolarHBondContact O-OG1 2.99Å; F99-Q119 HydrophobicContact CZ-CG 4.21Å; F99-M128 HydrophobicContact CB-CE 4.32Å; F99-M128 HydrophobicContact CD2-CE 3.54Å; F99-M128 HydrophobicContact CE2-CE 4.18Å; F99-M128 HydrophobicContact CG-CE 4.23Å
100	Y	48.2	Very low	48.7	Very low	154 Å²	154	75 Å²	75	60%	0.604	36%	0.362	S	S	*	.	H	α-helix	trans	-70.1	-46	173.4	-171.8	-90.8	0	0	0	111.1	L96 S97 D98 T103 M104	L96-Y100 WeakPolarHBondContact O-CB 3.32Å; L96-Y100 PolarHBondContact O-N 3.48Å; S97-Y100 PolarHBondContact O-N 2.91Å; D98-Y100 VanDerWaalsContact C-N 3.34Å; Y100-T103 PolarHBondContact O-N 3.44Å; Y100-M104 HydrophobicContact CD1-CG 4.02Å; Y100-M104 HydrophobicContact CE1-CG 3.65Å; Y100-M104 HydrophobicContact CE1-SD 4.41Å; Y100-M104 WeakPolarHBondContact O-CG 3.33Å; Y100-M104 PolarHBondContact O-N 3.01Å
101	A	49.8	Very low	48.1	Very low	47 Å²	47	71.2 Å²	71.2	39%	0.388	35%	0.348	S	S	.	.	H	α-helix	trans	-58.2	-50.6	173.6	0	0	0	0	0	111.3	S97 D98 T103 M104 F105	S97-A101 PolarHBondContact O-N 3.17Å; D98-A101 PolarHBondContact O-N 2.9Å; A101-T103 VanDerWaalsContact C-N 3.32Å; A101-T103 PolarHBondContact O-N 3.44Å; A101-M104 PolarHBondContact O-N 3Å; A101-F105 VanDerWaalsContact O-CB 3.28Å; A101-F105 WeakPolarHBondContact O-CB 3.38Å; A101-F105 PolarHBondContact O-N 3.36Å
102	L	50.1	Low	47.6	Very low	14 Å²	14	71 Å²	71	7%	0.073	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-35.6	176.2	-170.4	74.6	0	0	0	112.5	D98 C106 I132 I135	D98-L102 WeakPolarHBondContact O-CB 3.44Å; D98-L102 PolarHBondContact O-N 3.03Å; L102-C106 WeakPolarHBondContact O-CB 3.46Å; L102-C106 PolarHBondContact O-N 2.97Å; L102-C106 PolarHBondContact O-SG 3.41Å; L102-I132 HydrophobicContact CD1-CG1 4.25Å; L102-I132 HydrophobicContact CD2-CD1 3.74Å; L102-I132 HydrophobicContact CD2-CG1 3.7Å; L102-I135 HydrophobicContact CD1-CD1 3.76Å
103	T	49.4	Very low	47	Very low	10 Å²	10	67 Å²	67	6%	0.061	36%	0.359	C	S	.	.	H	α-helix	trans	-68.6	-44.2	175	-70.9	0	0	0	0	111.2	F99 Y100 A101 F105 C106 K107	F99-T103 WeakPolarHBondContact O-CA 3.48Å; F99-T103 WeakPolarHBondContact O-CB 3.42Å; F99-T103 PolarHBondContact O-N 2.88Å; F99-T103 PolarHBondContact O-OG1 2.99Å; Y100-T103 PolarHBondContact O-N 3.44Å; A101-T103 VanDerWaalsContact C-N 3.32Å; A101-T103 PolarHBondContact O-N 3.44Å; T103-F105 VanDerWaalsContact C-N 3.31Å; T103-C106 PolarHBondContact O-N 3.18Å; T103-K107 HydrophobicContact CG2-CD 4.11Å; T103-K107 HydrophobicContact CG2-CG 4.49Å; T103-K107 WeakPolarHBondContact O-CB 3.22Å; T103-K107 VanDerWaalsContact O-CG 3.26Å; T103-K107 WeakPolarHBondContact O-CG 3.46Å; T103-K107 PolarHBondContact O-N 2.87Å
104	M	48.3	Very low	46.8	Very low	89 Å²	89	65.1 Å²	65.1	44%	0.438	35%	0.349	S	S	.	.	H	α-helix	trans	-65.3	-38.3	176.9	-70.8	-60.4	-67.8	0	0	111.2	Y100 A101 K107 S108	Y100-M104 HydrophobicContact CD1-CG 4.02Å; Y100-M104 HydrophobicContact CE1-CG 3.65Å; Y100-M104 HydrophobicContact CE1-SD 4.41Å; Y100-M104 WeakPolarHBondContact O-CG 3.33Å; Y100-M104 PolarHBondContact O-N 3.01Å; A101-M104 PolarHBondContact O-N 3Å; M104-K107 PolarHBondContact O-N 3.46Å; M104-K107 HydrophobicContact SD-CD 4.17Å; M104-S108 PolarHBondContact O-N 3.23Å; M104-S108 VanDerWaalsContact O-N 3.09Å
105	F	46.5	Very low	46.5	Very low	23 Å²	23	61.9 Å²	61.9	10%	0.101	34%	0.335	C	S	.	.	H	α-helix	trans	-64.5	-43.2	171.9	178.9	-103.3	0	0	0	113.1	H45 L49 A101 T103 K107 S108 L109 I135 I139	H45-F105 HydrophobicContact CB-CD2 4.47Å; H45-F105 HydrophobicContact CB-CE2 3.53Å; H45-F105 HydrophobicContact CB-CZ 4.11Å; H45-F105 AromaticContact CD2-CD2 3.69Å; H45-F105 AromaticContact CD2-CE2 3.55Å; H45-F105 AromaticContact CG-CE2 3.48Å; H45-F105 VanDerWaalsContact CG-CE2 3.48Å; L49-F105 HydrophobicContact CD1-CE1 3.62Å; L49-F105 HydrophobicContact CD1-CZ 3.74Å; L49-F105 HydrophobicContact CG-CE1 4.43Å; A101-F105 VanDerWaalsContact O-CB 3.28Å; A101-F105 WeakPolarHBondContact O-CB 3.38Å; A101-F105 PolarHBondContact O-N 3.36Å; T103-F105 VanDerWaalsContact C-N 3.31Å; F105-K107 VanDerWaalsContact C-N 3.29Å; F105-K107 PolarHBondContact O-N 3.19Å; F105-S108 PolarHBondContact O-N 3.4Å; F105-S108 PolarHBondContact O-OG 3.06Å; F105-L109 HydrophobicContact CD1-CD1 4.49Å; F105-L109 HydrophobicContact CD2-CD1 4.05Å; F105-L109 HydrophobicContact CE1-CD1 3.83Å; F105-L109 HydrophobicContact CE2-CD1 3.3Å; F105-L109 HydrophobicContact CE2-CG 4.45Å; F105-L109 HydrophobicContact CZ-CD1 3.21Å; F105-L109 PolarHBondContact O-N 3.3Å; F105-I135 HydrophobicContact CE1-CG2 3.97Å; F105-I139 HydrophobicContact CE1-CD1 4.25Å; F105-I139 HydrophobicContact CZ-CD1 3.92Å
106	C	46	Very low	46	Very low	5 Å²	5	64.6 Å²	64.6	3%	0.034	35%	0.352	C	S	.	.	H	α-helix	trans	-65.1	-34	172.7	-71.6	0	0	0	0	111.9	L102 T103 L110	L102-C106 WeakPolarHBondContact O-CB 3.46Å; L102-C106 PolarHBondContact O-N 2.97Å; L102-C106 PolarHBondContact O-SG 3.41Å; T103-C106 PolarHBondContact O-N 3.18Å; C106-L110 HydrophobicContact CB-CD1 4.21Å; C106-L110 VanDerWaalsContact O-CB 3.28Å; C106-L110 WeakPolarHBondContact O-CB 3.23Å; C106-L110 PolarHBondContact O-N 2.67Å
107	K	47.8	Very low	45.6	Very low	121 Å²	121	61.8 Å²	61.8	53%	0.526	34%	0.341	S	S	.	.	H	α-helix	trans	-70.7	-25.8	176.6	-78	173.6	178.5	177.9	0	113.9	T103 M104 F105	T103-K107 HydrophobicContact CG2-CD 4.11Å; T103-K107 HydrophobicContact CG2-CG 4.49Å; T103-K107 WeakPolarHBondContact O-CB 3.22Å; T103-K107 VanDerWaalsContact O-CG 3.26Å; T103-K107 WeakPolarHBondContact O-CG 3.46Å; T103-K107 PolarHBondContact O-N 2.87Å; M104-K107 PolarHBondContact O-N 3.46Å; M104-K107 HydrophobicContact SD-CD 4.17Å; F105-K107 VanDerWaalsContact C-N 3.29Å; F105-K107 PolarHBondContact O-N 3.19Å
108	S	43.8	Very low	45.4	Very low	82 Å²	82	59.4 Å²	59.4	57%	0.573	32%	0.323	S	S	*	.	H	α-helix	trans	-84.5	-25.1	175.8	58.6	0	0	0	0	113.4	M104 F105	M104-S108 PolarHBondContact O-N 3.23Å; M104-S108 VanDerWaalsContact O-N 3.09Å; F105-S108 PolarHBondContact O-N 3.4Å; F105-S108 PolarHBondContact O-OG 3.06Å
109	L	44.2	Very low	45	Very low	75 Å²	75	61.9 Å²	61.9	39%	0.393	33%	0.334	S	S	.	.	H	α-helix	trans	-110.8	-19	-174.7	-71.9	172.3	0	0	0	116.1	F105 I139	F105-L109 HydrophobicContact CD1-CD1 4.49Å; F105-L109 HydrophobicContact CD2-CD1 4.05Å; F105-L109 HydrophobicContact CE1-CD1 3.83Å; F105-L109 HydrophobicContact CE2-CD1 3.3Å; F105-L109 HydrophobicContact CE2-CG 4.45Å; F105-L109 HydrophobicContact CZ-CD1 3.21Å; F105-L109 PolarHBondContact O-N 3.3Å; L109-I139 HydrophobicContact CD1-CD1 4.09Å; L109-I139 HydrophobicContact CD1-CG1 4.35Å
110	L	44.3	Very low	44.6	Very low	30 Å²	30	62.9 Å²	62.9	16%	0.157	35%	0.352	C	S	.	.	S	Bend	trans	-117.1	140.3	-175.4	-60	174.3	0	0	0	112.2	C106 K114 I118	C106-L110 HydrophobicContact CB-CD1 4.21Å; C106-L110 VanDerWaalsContact O-CB 3.28Å; C106-L110 WeakPolarHBondContact O-CB 3.23Å; C106-L110 PolarHBondContact O-N 2.67Å; L110-K114 HydrophobicContact CB-CB 4.35Å; L110-I118 HydrophobicContact CD1-CD1 3.44Å; L110-I118 VanDerWaalsContact CD1-CD1 3.44Å
111	P	42.8	Very low	44.5	Very low	46 Å²	46	63.3 Å²	63.3	30%	0.299	36%	0.357	S	S	.	.			trans	-51.3	141.5	169.2	-28.1	35.2	0	0	0	111.7	S113 K114 C115	P111-S113 PolarHBondContact O-N 3.07Å; P111-K114 WeakPolarHBondContact O-CA 3.12Å; P111-K114 PolarHBondContact O-N 3.49Å; P111-C115 PolarHBondContact O-N 2.97Å; P111-C115 VanDerWaalsContact O-N 3.08Å
112	P	40.1	Very low	44.2	Very low	103 Å²	103	62.7 Å²	62.7	67%	0.669	35%	0.348	S	S	*	.	H	α-helix	trans	-52.5	-36.5	-171.7	-31	35.9	0	0	0	114.9	K114 C115 L116	P112-K114 PolarHBondContact O-N 2.96Å; P112-C115 PolarHBondContact O-N 3.22Å; P112-L116 WeakPolarHBondContact O-CB 3.5Å; P112-L116 WeakPolarHBondContact O-CG 3.43Å; P112-L116 PolarHBondContact O-N 2.88Å
113	S	41.4	Very low	44.1	Very low	89 Å²	89	71.4 Å²	71.4	62%	0.622	39%	0.385	S	S	*	.	H	α-helix	trans	-61.9	-39	175.4	52.4	0	0	0	0	113.6	P111 S117	P111-S113 PolarHBondContact O-N 3.07Å; S113-S117 PolarHBondContact O-N 3.31Å
114	K	44.9	Very low	44.1	Very low	99 Å²	99	74 Å²	74	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-73.3	-39.5	174.4	-71.1	-175.1	179.8	176.6	0	110.9	L110 P111 P112 S117 I118	L110-K114 HydrophobicContact CB-CB 4.35Å; P111-K114 WeakPolarHBondContact O-CA 3.12Å; P111-K114 PolarHBondContact O-N 3.49Å; P112-K114 PolarHBondContact O-N 2.96Å; K114-S117 PolarHBondContact O-N 3.01Å; K114-S117 PolarHBondContact O-OG 3.25Å; K114-I118 PolarHBondContact O-N 2.89Å
115	C	40.4	Very low	44	Very low	6 Å²	6	73.4 Å²	73.4	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-62.9	-43.2	177.1	-167.9	0	0	0	0	112.3	P111 P112 S117 I118 Q119	P111-C115 PolarHBondContact O-N 2.97Å; P111-C115 VanDerWaalsContact O-N 3.08Å; P112-C115 PolarHBondContact O-N 3.22Å; C115-S117 VanDerWaalsContact C-N 3.29Å; C115-S117 PolarHBondContact O-N 3.42Å; C115-I118 PolarHBondContact O-N 3.39Å; C115-Q119 PolarHBondContact O-N 3.42Å
116	L	37.2	Very low	44.4	Very low	110 Å²	110	79.1 Å²	79.1	58%	0.576	43%	0.426	S	S	*	.	H	α-helix	trans	-60.6	-36.8	174.1	-74.3	167.8	0	0	0	112.4	P112 I118 Q119 A120	P112-L116 WeakPolarHBondContact O-CB 3.5Å; P112-L116 WeakPolarHBondContact O-CG 3.43Å; P112-L116 PolarHBondContact O-N 2.88Å; L116-I118 VanDerWaalsContact C-N 3.29Å; L116-I118 PolarHBondContact O-N 3.29Å; L116-Q119 PolarHBondContact O-N 3.49Å; L116-A120 WeakPolarHBondContact O-CB 3.25Å; L116-A120 PolarHBondContact O-N 3.17Å
117	S	42.1	Very low	44.8	Very low	52 Å²	52	81.3 Å²	81.3	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-66.5	-28.6	178.3	79.4	0	0	0	0	113.7	S113 K114 C115 K121	S113-S117 PolarHBondContact O-N 3.31Å; K114-S117 PolarHBondContact O-N 3.01Å; K114-S117 PolarHBondContact O-OG 3.25Å; C115-S117 VanDerWaalsContact C-N 3.29Å; C115-S117 PolarHBondContact O-N 3.42Å; S117-K121 WeakPolarHBondContact O-CB 3.33Å; S117-K121 WeakPolarHBondContact O-CG 3.25Å; S117-K121 PolarHBondContact O-N 2.99Å
118	I	45	Very low	44.7	Very low	14 Å²	14	76.6 Å²	76.6	7%	0.072	42%	0.419	C	S	.	.	H	α-helix	trans	-73.2	-43.1	173.8	-64.7	171.8	0	0	0	110	L110 K114 C115 L116 A120	L110-I118 HydrophobicContact CD1-CD1 3.44Å; L110-I118 VanDerWaalsContact CD1-CD1 3.44Å; K114-I118 PolarHBondContact O-N 2.89Å; C115-I118 PolarHBondContact O-N 3.39Å; L116-I118 VanDerWaalsContact C-N 3.29Å; L116-I118 PolarHBondContact O-N 3.29Å; I118-A120 VanDerWaalsContact C-N 3.32Å; I118-A120 PolarHBondContact O-N 3.5Å
119	Q	42.7	Very low	45.2	Very low	77 Å²	77	74.6 Å²	74.6	36%	0.36	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-33.9	176.2	-63.7	-167.2	-64.7	0	0	112.9	F99 C115 L116	F99-Q119 HydrophobicContact CZ-CG 4.21Å; C115-Q119 PolarHBondContact O-N 3.42Å; L116-Q119 PolarHBondContact O-N 3.49Å
120	A	41.3	Very low	45.9	Very low	75 Å²	75	73.8 Å²	73.8	62%	0.62	41%	0.408	S	S	*	.	H	α-helix	trans	-79.7	-28.1	-176.4	0	0	0	0	0	114.9	L116 I118	L116-A120 WeakPolarHBondContact O-CB 3.25Å; L116-A120 PolarHBondContact O-N 3.17Å; I118-A120 VanDerWaalsContact C-N 3.32Å; I118-A120 PolarHBondContact O-N 3.5Å
121	K	46.5	Very low	46.3	Very low	162 Å²	162	73 Å²	73	70%	0.704	41%	0.405	S	S	*	.	H	α-helix	trans	-97	-26.4	-170.8	-72.6	-170.8	172.7	-169.3	0	115.2	S117 K123	S117-K121 WeakPolarHBondContact O-CB 3.33Å; S117-K121 WeakPolarHBondContact O-CG 3.25Å; S117-K121 PolarHBondContact O-N 2.99Å; K121-K123 PolarHBondContact O-N 2.95Å; K121-K123 VanDerWaalsContact O-N 3.09Å
122	N	42.7	Very low	46.6	Very low	35 Å²	35	70.8 Å²	70.8	19%	0.187	39%	0.391	C	S	.	.			trans	-86.7	85.2	-168.2	-72	-0.2	0	0	0	112.7	T127 M128 A131	N122-T127 WeakPolarHBondContact CA-OG1 3.39Å; N122-M128 HydrophobicContact CB-CG 3.85Å; N122-A131 VanDerWaalsContact ND2-CB 3.28Å; N122-A131 WeakPolarHBondContact ND2-CB 3.38Å
123	K	48.9	Very low	47.4	Very low	196 Å²	196	69.3 Å²	69.3	85%	0.852	38%	0.38	S	S	*	.			trans	-95.8	-13.2	176.5	-69.6	-169.9	178.5	-178.5	0	115	K121 T127	K121-K123 PolarHBondContact O-N 2.95Å; K121-K123 VanDerWaalsContact O-N 3.09Å; K123-T127 PolarHBondContact N-OG1 3.46Å
124	T	49.8	Very low	48.3	Very low	66 Å²	66	67.8 Å²	67.8	41%	0.405	37%	0.365	S	S	.	.	S	Bend	trans	-126.8	153.7	179.7	71.6	0	0	0	0	111.8	E126 T127 M128	T124-E126 PolarHBondContact O-N 2.9Å; T124-E126 VanDerWaalsContact O-N 3.16Å; T124-T127 PolarHBondContact N-OG1 3.1Å; T124-T127 PolarHBondContact O-N 3.48Å; T124-T127 PolarHBondContact O-OG1 2.82Å; T124-T127 PolarHBondContact OG1-N 3.14Å; T124-T127 PolarHBondContact OG1-OG1 2.85Å; T124-M128 WeakPolarHBondContact O-CG 3.39Å; T124-M128 PolarHBondContact O-N 3.32Å
125	I	46.7	Very low	48.5	Very low	75 Å²	75	63.6 Å²	63.6	39%	0.385	35%	0.347	S	S	.	.	H	α-helix	trans	-56.2	-33.5	177	-57.2	176.3	0	0	0	110.7	F95 M128 T129	F95-I125 HydrophobicContact CE1-CG1 4.3Å; F95-I125 HydrophobicContact CE2-CD1 3.96Å; F95-I125 HydrophobicContact CE2-CG1 4.23Å; F95-I125 HydrophobicContact CZ-CD1 3.67Å; F95-I125 HydrophobicContact CZ-CG1 3.64Å; F95-I125 HydrophobicContact CZ-CG2 4.3Å; I125-M128 PolarHBondContact O-N 2.94Å; I125-T129 WeakPolarHBondContact O-CB 3.43Å; I125-T129 PolarHBondContact O-N 2.62Å; I125-T129 PolarHBondContact O-OG1 3.14Å
126	E	53.5	Low	49.1	Very low	143 Å²	143	65.7 Å²	65.7	67%	0.668	36%	0.361	S	S	*	.	H	α-helix	trans	-66.7	-47.4	175.8	-62.3	170.7	148.2	0	0	111.9	T124 M128 T129 A130	T124-E126 PolarHBondContact O-N 2.9Å; T124-E126 VanDerWaalsContact O-N 3.16Å; E126-M128 VanDerWaalsContact C-N 3.28Å; E126-M128 PolarHBondContact O-N 3.27Å; E126-T129 PolarHBondContact O-N 2.81Å; E126-T129 VanDerWaalsContact O-N 3.16Å; E126-A130 WeakPolarHBondContact O-CB 3.45Å; E126-A130 PolarHBondContact O-N 3.26Å
127	T	54.8	Low	50.1	Low	52 Å²	52	63 Å²	63	32%	0.319	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-35.6	173.8	55.8	0	0	0	0	112.4	N122 K123 T124 A131	N122-T127 WeakPolarHBondContact CA-OG1 3.39Å; K123-T127 PolarHBondContact N-OG1 3.46Å; T124-T127 PolarHBondContact N-OG1 3.1Å; T124-T127 PolarHBondContact O-N 3.48Å; T124-T127 PolarHBondContact O-OG1 2.82Å; T124-T127 PolarHBondContact OG1-N 3.14Å; T124-T127 PolarHBondContact OG1-OG1 2.85Å; T127-A131 WeakPolarHBondContact O-CB 3.23Å; T127-A131 PolarHBondContact O-N 3.22Å
128	M	46.6	Very low	50.5	Low	21 Å²	21	64.9 Å²	64.9	10%	0.103	35%	0.348	C	S	.	.	H	α-helix	trans	-66.2	-46.7	172	-62.3	176.6	97.5	0	0	111.5	W56 F95 F99 N122 T124 I125 E126 A130 A131 I132	W56-M128 HydrophobicContact CH2-CB 4.19Å; W56-M128 HydrophobicContact CH2-CE 4.07Å; W56-M128 HydrophobicContact CH2-SD 4.36Å; W56-M128 HydrophobicContact CZ3-CB 3.87Å; F95-M128 HydrophobicContact CD1-CE 4.19Å; F95-M128 HydrophobicContact CD1-SD 4.1Å; F95-M128 HydrophobicContact CE1-SD 4.1Å; F99-M128 HydrophobicContact CB-CE 4.32Å; F99-M128 HydrophobicContact CD2-CE 3.54Å; F99-M128 HydrophobicContact CE2-CE 4.18Å; F99-M128 HydrophobicContact CG-CE 4.23Å; N122-M128 HydrophobicContact CB-CG 3.85Å; T124-M128 WeakPolarHBondContact O-CG 3.39Å; T124-M128 PolarHBondContact O-N 3.32Å; I125-M128 PolarHBondContact O-N 2.94Å; E126-M128 VanDerWaalsContact C-N 3.28Å; E126-M128 PolarHBondContact O-N 3.27Å; M128-A130 PolarHBondContact O-N 2.86Å; M128-A131 PolarHBondContact O-N 2.99Å; M128-I132 WeakPolarHBondContact O-CB 3.28Å; M128-I132 WeakPolarHBondContact O-CD1 3.05Å; M128-I132 WeakPolarHBondContact O-CG1 3.29Å; M128-I132 PolarHBondContact O-N 2.86Å
129	T	53.5	Low	50.5	Low	41 Å²	41	65.9 Å²	65.9	25%	0.252	35%	0.353	S	S	.	.	H	α-helix	trans	-59.9	-45.6	178.4	-51.5	0	0	0	0	111.3	I125 E126 I132 T133	I125-T129 WeakPolarHBondContact O-CB 3.43Å; I125-T129 PolarHBondContact O-N 2.62Å; I125-T129 PolarHBondContact O-OG1 3.14Å; E126-T129 PolarHBondContact O-N 2.81Å; E126-T129 VanDerWaalsContact O-N 3.16Å; T129-I132 PolarHBondContact O-N 2.9Å; T129-T133 PolarHBondContact O-N 3.08Å; T129-T133 PolarHBondContact O-OG1 3.08Å
130	A	59.1	Low	51.1	Low	58 Å²	58	69.8 Å²	69.8	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-42.7	176.8	0	0	0	0	0	111.9	E126 M128 I132 T133 D134	E126-A130 WeakPolarHBondContact O-CB 3.45Å; E126-A130 PolarHBondContact O-N 3.26Å; M128-A130 PolarHBondContact O-N 2.86Å; A130-I132 PolarHBondContact O-N 3.44Å; A130-T133 WeakPolarHBondContact CA-OG1 3.41Å; A130-T133 PolarHBondContact O-OG1 3.24Å; A130-D134 WeakPolarHBondContact O-CB 3.14Å; A130-D134 PolarHBondContact O-N 2.86Å; A130-D134 VanDerWaalsContact O-N 3.14Å
131	A	51.9	Low	51.7	Low	12 Å²	12	72.1 Å²	72.1	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-40.7	176.1	0	0	0	0	0	112.3	N122 T127 M128 D134 I135	N122-A131 VanDerWaalsContact ND2-CB 3.28Å; N122-A131 WeakPolarHBondContact ND2-CB 3.38Å; T127-A131 WeakPolarHBondContact O-CB 3.23Å; T127-A131 PolarHBondContact O-N 3.22Å; M128-A131 PolarHBondContact O-N 2.99Å; A131-D134 PolarHBondContact O-N 3.15Å; A131-I135 WeakPolarHBondContact O-CG1 3.2Å; A131-I135 PolarHBondContact O-N 2.62Å
132	I	48.5	Very low	51.5	Low	1 Å²	1	65.4 Å²	65.4	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-73.3	-38.4	-179.3	-63.7	162.7	0	0	0	111.5	L49 L53 W56 L102 M128 T129 A130 D134 I135 P136	L49-I132 HydrophobicContact CD2-CG2 3.63Å; L53-I132 HydrophobicContact CD1-CG2 4.05Å; L53-I132 HydrophobicContact CD2-CB 4.33Å; L53-I132 HydrophobicContact CD2-CG2 3.65Å; L53-I132 HydrophobicContact CG-CG2 3.8Å; W56-I132 HydrophobicContact CE3-CD1 4.07Å; W56-I132 HydrophobicContact CH2-CD1 3.56Å; W56-I132 HydrophobicContact CZ2-CD1 4.34Å; W56-I132 HydrophobicContact CZ3-CD1 3.4Å; W56-I132 VanDerWaalsContact CZ3-CD1 3.4Å; L102-I132 HydrophobicContact CD1-CG1 4.25Å; L102-I132 HydrophobicContact CD2-CD1 3.74Å; L102-I132 HydrophobicContact CD2-CG1 3.7Å; M128-I132 WeakPolarHBondContact O-CB 3.28Å; M128-I132 WeakPolarHBondContact O-CD1 3.05Å; M128-I132 WeakPolarHBondContact O-CG1 3.29Å; M128-I132 PolarHBondContact O-N 2.86Å; T129-I132 PolarHBondContact O-N 2.9Å; A130-I132 PolarHBondContact O-N 3.44Å; I132-D134 PolarHBondContact O-N 2.89Å; I132-I135 HydrophobicContact CB-CD1 4.48Å; I132-I135 HydrophobicContact CG1-CD1 4.31Å; I132-I135 WeakPolarHBondContact O-CB 3.41Å; I132-I135 PolarHBondContact O-N 3.37Å; I132-P136 WeakPolarHBondContact O-CD 3.18Å
133	T	57.5	Low	51.6	Low	71 Å²	71	68.8 Å²	68.8	44%	0.436	35%	0.351	S	S	.	.	H	α-helix	trans	-66.9	-23.9	173.8	44.1	0	0	0	0	113.1	T129 A130	T129-T133 PolarHBondContact O-N 3.08Å; T129-T133 PolarHBondContact O-OG1 3.08Å; A130-T133 WeakPolarHBondContact CA-OG1 3.41Å; A130-T133 PolarHBondContact O-OG1 3.24Å
134	D	61.2	Low	51.7	Low	57 Å²	57	63.8 Å²	63.8	31%	0.305	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.6	170	-166.1	25.1	0	0	0	113.3	A130 A131 I132 T137 R138	A130-D134 WeakPolarHBondContact O-CB 3.14Å; A130-D134 PolarHBondContact O-N 2.86Å; A130-D134 VanDerWaalsContact O-N 3.14Å; A131-D134 PolarHBondContact O-N 3.15Å; I132-D134 PolarHBondContact O-N 2.89Å; D134-T137 PolarHBondContact O-N 3.39Å; D134-R138 WeakPolarHBondContact O-CB 3.5Å; D134-R138 VanDerWaalsContact O-CG 3.27Å; D134-R138 WeakPolarHBondContact O-CG 3.23Å; D134-R138 PolarHBondContact O-N 2.65Å; D134-R138 IonicContact OD2-CZ 3.92Å; D134-R138 IonicContact OD2-NE 3.34Å; D134-R138 PolarHBondContact OD2-NE 3.42Å; D134-R138 IonicContact OD2-NH2 2.75Å; D134-R138 PolarHBondContact OD2-NH2 2.76Å
135	I	48.1	Very low	51.6	Low	11 Å²	11	65.9 Å²	65.9	6%	0.056	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-48.1	179.2	-76.2	172.6	0	0	0	112.7	L49 L102 F105 A131 I132 T137 R138 I139	L49-I135 HydrophobicContact CD1-CG2 3.7Å; L49-I135 HydrophobicContact CD2-CG2 4.45Å; L102-I135 HydrophobicContact CD1-CD1 3.76Å; F105-I135 HydrophobicContact CE1-CG2 3.97Å; A131-I135 WeakPolarHBondContact O-CG1 3.2Å; A131-I135 PolarHBondContact O-N 2.62Å; I132-I135 HydrophobicContact CB-CD1 4.48Å; I132-I135 HydrophobicContact CG1-CD1 4.31Å; I132-I135 WeakPolarHBondContact O-CB 3.41Å; I132-I135 PolarHBondContact O-N 3.37Å; I135-T137 VanDerWaalsContact C-N 3.27Å; I135-T137 PolarHBondContact O-N 2.94Å; I135-R138 CarbonylContact O-C 3.59Å; I135-R138 PolarHBondContact O-N 2.77Å; I135-R138 VanDerWaalsContact O-N 3.12Å; I135-I139 HydrophobicContact CG2-CD1 3.58Å; I135-I139 HydrophobicContact CG2-CG1 4.13Å; I135-I139 WeakPolarHBondContact O-CG1 3.3Å; I135-I139 PolarHBondContact O-N 3.24Å
136	P	52.7	Low	51.3	Low	51 Å²	51	66.6 Å²	66.6	33%	0.331	33%	0.334	S	S	.	.	H	α-helix	trans	-57.8	-39.1	176.4	-26.8	35.8	0	0	0	112.9	I132 I139 R140	I132-P136 WeakPolarHBondContact O-CD 3.18Å; P136-I139 PolarHBondContact O-N 3.48Å; P136-R140 PolarHBondContact O-N 2.98Å
137	T	59.8	Low	51.1	Low	53 Å²	53	62.7 Å²	62.7	33%	0.325	32%	0.323	S	S	.	.	H	α-helix	trans	-67	-39.9	176	-42.7	0	0	0	0	111.7	D134 I135 R140 K141	D134-T137 PolarHBondContact O-N 3.39Å; I135-T137 VanDerWaalsContact C-N 3.27Å; I135-T137 PolarHBondContact O-N 2.94Å; T137-R140 PolarHBondContact O-N 2.79Å; T137-K141 WeakPolarHBondContact O-CB 3.48Å; T137-K141 PolarHBondContact O-N 3.29Å
138	R	50.5	Low	51	Low	91 Å²	91	65.9 Å²	65.9	34%	0.343	34%	0.338	S	S	.	.	H	α-helix	trans	-71	-28.9	173.9	-72	176.3	-170.6	-173	10.7	113.5	D134 I135 G142	D134-R138 WeakPolarHBondContact O-CB 3.5Å; D134-R138 VanDerWaalsContact O-CG 3.27Å; D134-R138 WeakPolarHBondContact O-CG 3.23Å; D134-R138 PolarHBondContact O-N 2.65Å; D134-R138 IonicContact OD2-CZ 3.92Å; D134-R138 IonicContact OD2-NE 3.34Å; D134-R138 PolarHBondContact OD2-NE 3.42Å; D134-R138 IonicContact OD2-NH2 2.75Å; D134-R138 PolarHBondContact OD2-NH2 2.76Å; I135-R138 CarbonylContact O-C 3.59Å; I135-R138 PolarHBondContact O-N 2.77Å; I135-R138 VanDerWaalsContact O-N 3.12Å; R138-G142 WeakPolarHBondContact O-CA 3.37Å; R138-G142 PolarHBondContact O-N 2.83Å
139	I	43.5	Very low	51.2	Low	35 Å²	35	69.4 Å²	69.4	18%	0.179	35%	0.35	C	S	.	.	H	α-helix	trans	-71	-41.5	171.6	-71.2	168.8	0	0	0	109.3	L49 F105 L109 I135 P136 G142 K143	L49-I139 HydrophobicContact CD1-CD1 4.5Å; F105-I139 HydrophobicContact CE1-CD1 4.25Å; F105-I139 HydrophobicContact CZ-CD1 3.92Å; L109-I139 HydrophobicContact CD1-CD1 4.09Å; L109-I139 HydrophobicContact CD1-CG1 4.35Å; I135-I139 HydrophobicContact CG2-CD1 3.58Å; I135-I139 HydrophobicContact CG2-CG1 4.13Å; I135-I139 WeakPolarHBondContact O-CG1 3.3Å; I135-I139 PolarHBondContact O-N 3.24Å; P136-I139 PolarHBondContact O-N 3.48Å; I139-G142 CarbonylContact O-C 3.58Å; I139-G142 WeakPolarHBondContact O-CA 3.05Å; I139-G142 PolarHBondContact O-N 2.79Å; I139-K143 HydrophobicContact CG2-CD 4.48Å; I139-K143 WeakPolarHBondContact O-CG 3.03Å; I139-K143 PolarHBondContact O-N 2.79Å
140	R	55.1	Low	51.1	Low	159 Å²	159	69.4 Å²	69.4	60%	0.6	35%	0.35	S	S	*	.	H	α-helix	trans	-63.3	-57	175.9	-157.7	-167.4	-54.2	167.3	4.7	111.9	P136 T137 G142 K143 E144	P136-R140 PolarHBondContact O-N 2.98Å; T137-R140 PolarHBondContact O-N 2.79Å; R140-G142 PolarHBondContact O-N 2.8Å; R140-G142 VanDerWaalsContact O-N 3.16Å; R140-K143 PolarHBondContact O-N 3.3Å; R140-E144 WeakPolarHBondContact CG-OE1 3.26Å; R140-E144 WeakPolarHBondContact O-CG 3.14Å; R140-E144 PolarHBondContact O-N 2.75Å
141	K	55.3	Low	51.1	Low	124 Å²	124	71.7 Å²	71.7	54%	0.539	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-24.5	171.9	-71.1	-174.7	174.6	-177.5	0	113	T137 E144 Q145	T137-K141 WeakPolarHBondContact O-CB 3.48Å; T137-K141 PolarHBondContact O-N 3.29Å; K141-E144 WeakPolarHBondContact CA-OE2 3.42Å; K141-Q145 WeakPolarHBondContact O-CB 3.49Å; K141-Q145 WeakPolarHBondContact O-CG 3.21Å; K141-Q145 PolarHBondContact O-N 2.81Å
142	G	40.9	Very low	51.8	Low	22 Å²	22	73.4 Å²	73.4	23%	0.227	38%	0.377	C	S	.	.	H	α-helix	trans	-70.2	-46.1	173.2	0	0	0	0	0	111.9	R138 I139 R140 Y146	R138-G142 WeakPolarHBondContact O-CA 3.37Å; R138-G142 PolarHBondContact O-N 2.83Å; I139-G142 CarbonylContact O-C 3.58Å; I139-G142 WeakPolarHBondContact O-CA 3.05Å; I139-G142 PolarHBondContact O-N 2.79Å; R140-G142 PolarHBondContact O-N 2.8Å; R140-G142 VanDerWaalsContact O-N 3.16Å; G142-Y146 VanDerWaalsContact O-CB 3.26Å; G142-Y146 WeakPolarHBondContact O-CB 3.46Å; G142-Y146 WeakPolarHBondContact O-CD2 3.03Å; G142-Y146 PolarHBondContact O-N 2.84Å
143	K	44.9	Very low	52.5	Low	105 Å²	105	74.6 Å²	74.6	46%	0.457	38%	0.383	S	S	.	.	H	α-helix	trans	-62.9	-45.4	174.1	-72.3	176.2	-177	-178.8	0	111.1	S42 I139 R140 Y146 S147	S42-K143 PolarHBondContact OG-NZ 3.18Å; I139-K143 HydrophobicContact CG2-CD 4.48Å; I139-K143 WeakPolarHBondContact O-CG 3.03Å; I139-K143 PolarHBondContact O-N 2.79Å; R140-K143 PolarHBondContact O-N 3.3Å; K143-Y146 CarbonylContact O-C 3.57Å; K143-Y146 WeakPolarHBondContact O-CB 3.5Å; K143-Y146 PolarHBondContact O-N 3.43Å; K143-Y146 VanDerWaalsContact O-N 3.15Å; K143-S147 PolarHBondContact O-N 3.28Å; K143-S147 PolarHBondContact O-OG 3.43Å
144	E	51.3	Low	52.8	Low	92 Å²	92	71.8 Å²	71.8	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-52.4	173.9	-65.8	155.7	-162.7	0	0	111.6	R140 K141 Y146 S147 D148	R140-E144 WeakPolarHBondContact CG-OE1 3.26Å; R140-E144 WeakPolarHBondContact O-CG 3.14Å; R140-E144 PolarHBondContact O-N 2.75Å; K141-E144 WeakPolarHBondContact CA-OE2 3.42Å; E144-Y146 PolarHBondContact O-N 2.72Å; E144-S147 PolarHBondContact O-N 3.35Å; E144-S147 PolarHBondContact O-OG 3.26Å; E144-D148 PolarHBondContact O-N 2.85Å; E144-D148 VanDerWaalsContact O-N 3.17Å
145	Q	49.1	Very low	53.2	Low	109 Å²	109	71 Å²	71	51%	0.509	37%	0.37	S	S	.	.	H	α-helix	trans	-64.2	-24.5	175.2	-74	-178.1	-5.7	0	0	112.8	K141 R149	K141-Q145 WeakPolarHBondContact O-CB 3.49Å; K141-Q145 WeakPolarHBondContact O-CG 3.21Å; K141-Q145 PolarHBondContact O-N 2.81Å; Q145-R149 WeakPolarHBondContact O-CB 3.31Å; Q145-R149 PolarHBondContact O-N 2.81Å; Q145-R149 VanDerWaalsContact O-N 3.14Å
146	Y	39.8	Very low	54.7	Low	90 Å²	90	76 Å²	76	35%	0.353	39%	0.392	S	S	.	.	H	α-helix	trans	-75.8	-43.4	173.4	-102.8	-116.2	0	0	0	112.2	G142 K143 E144 D148 T150 V182	G142-Y146 VanDerWaalsContact O-CB 3.26Å; G142-Y146 WeakPolarHBondContact O-CB 3.46Å; G142-Y146 WeakPolarHBondContact O-CD2 3.03Å; G142-Y146 PolarHBondContact O-N 2.84Å; K143-Y146 CarbonylContact O-C 3.57Å; K143-Y146 WeakPolarHBondContact O-CB 3.5Å; K143-Y146 PolarHBondContact O-N 3.43Å; K143-Y146 VanDerWaalsContact O-N 3.15Å; E144-Y146 PolarHBondContact O-N 2.72Å; Y146-D148 PolarHBondContact O-N 3.4Å; Y146-T150 WeakPolarHBondContact O-CB 3.4Å; Y146-T150 PolarHBondContact O-N 3.49Å; Y146-T150 PolarHBondContact O-OG1 3.16Å; Y146-V182 HydrophobicContact CD1-CG2 4.41Å; Y146-V182 HydrophobicContact CE1-CG1 4.32Å; Y146-V182 HydrophobicContact CE1-CG2 3.44Å; Y146-V182 VanDerWaalsContact CE1-CG2 3.44Å
147	S	49.2	Very low	55.8	Low	61 Å²	61	73.6 Å²	73.6	43%	0.427	38%	0.376	S	S	.	.	H	α-helix	trans	-59.3	-49.7	176.6	49.1	0	0	0	0	110.5	K143 E144 R149 T150 V151	K143-S147 PolarHBondContact O-N 3.28Å; K143-S147 PolarHBondContact O-OG 3.43Å; E144-S147 PolarHBondContact O-N 3.35Å; E144-S147 PolarHBondContact O-OG 3.26Å; S147-R149 PolarHBondContact O-N 3.49Å; S147-T150 PolarHBondContact O-N 3.39Å; S147-V151 WeakPolarHBondContact O-CB 3.34Å; S147-V151 WeakPolarHBondContact O-CG2 3.47Å; S147-V151 PolarHBondContact O-N 3.01Å
148	D	53.2	Low	56.3	Low	120 Å²	120	72.1 Å²	72.1	64%	0.642	37%	0.365	S	S	*	.	H	α-helix	trans	-65	-44.8	-177.5	-62.6	-1.9	0	0	0	111.6	E144 Y146 G152	E144-D148 PolarHBondContact O-N 2.85Å; E144-D148 VanDerWaalsContact O-N 3.17Å; Y146-D148 PolarHBondContact O-N 3.4Å; D148-G152 PolarHBondContact O-N 3.38Å
149	R	50.5	Low	57.5	Low	95 Å²	95	69.9 Å²	69.9	36%	0.358	37%	0.367	S	S	.	.	H	α-helix	trans	-65.2	-39.6	176.8	-176.2	176.3	179.3	-122.1	-4.9	111.4	Q145 S147 I153 D180	Q145-R149 WeakPolarHBondContact O-CB 3.31Å; Q145-R149 PolarHBondContact O-N 2.81Å; Q145-R149 VanDerWaalsContact O-N 3.14Å; S147-R149 PolarHBondContact O-N 3.49Å; R149-I153 HydrophobicContact CG-CD1 3.6Å; R149-I153 HydrophobicContact CG-CG1 4.33Å; R149-I153 VanDerWaalsContact O-CB 3.23Å; R149-I153 WeakPolarHBondContact O-CB 3.37Å; R149-I153 WeakPolarHBondContact O-CG1 3.4Å; R149-I153 PolarHBondContact O-N 3.47Å; R149-D180 IonicContact CZ-OD2 3.18Å; R149-D180 IonicContact NH1-OD2 2.75Å; R149-D180 PolarHBondContact NH1-OD2 3.41Å; R149-D180 IonicContact NH2-OD2 3.43Å; R149-D180 PolarHBondContact NH2-OD2 3.03Å
150	T	51.7	Low	58.9	Low	40 Å²	40	72.4 Å²	72.4	25%	0.245	38%	0.377	C	S	.	.	H	α-helix	trans	-66.2	-49.3	178.5	-57.5	0	0	0	0	110.1	Y146 S147 G152 I153 L154	Y146-T150 WeakPolarHBondContact O-CB 3.4Å; Y146-T150 PolarHBondContact O-N 3.49Å; Y146-T150 PolarHBondContact O-OG1 3.16Å; S147-T150 PolarHBondContact O-N 3.39Å; T150-G152 PolarHBondContact O-N 2.94Å; T150-I153 PolarHBondContact O-N 3.29Å; T150-L154 HydrophobicContact CG2-CD1 4.03Å; T150-L154 WeakPolarHBondContact O-CB 3.46Å; T150-L154 PolarHBondContact O-N 2.84Å
151	V	58.8	Low	59.7	Low	107 Å²	107	64.9 Å²	64.9	65%	0.648	35%	0.349	S	S	*	.	H	α-helix	trans	-59.2	-47	177	171.2	0	0	0	0	111.6	S147 I153 L154 G155	S147-V151 WeakPolarHBondContact O-CB 3.34Å; S147-V151 WeakPolarHBondContact O-CG2 3.47Å; S147-V151 PolarHBondContact O-N 3.01Å; V151-I153 PolarHBondContact O-N 2.92Å; V151-L154 PolarHBondContact O-N 3.3Å; V151-G155 PolarHBondContact O-N 2.72Å
152	G	66.7	Low	60.4	Low	48 Å²	48	63.5 Å²	63.5	50%	0.495	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-39.4	178.4	0	0	0	0	0	113.6	D148 T150 K156	D148-G152 PolarHBondContact O-N 3.38Å; T150-G152 PolarHBondContact O-N 2.94Å; G152-K156 WeakPolarHBondContact O-CB 3.36Å; G152-K156 PolarHBondContact O-N 2.95Å; G152-K156 VanDerWaalsContact O-N 3.07Å
153	I	62.9	Low	62	Low	25 Å²	25	71.2 Å²	71.2	13%	0.128	37%	0.37	C	S	.	.	H	α-helix	trans	-72.3	-40.6	177.4	-69.5	177.4	0	0	0	110.9	R149 T150 V151 K156 H157 N183 C186	R149-I153 HydrophobicContact CG-CD1 3.6Å; R149-I153 HydrophobicContact CG-CG1 4.33Å; R149-I153 VanDerWaalsContact O-CB 3.23Å; R149-I153 WeakPolarHBondContact O-CB 3.37Å; R149-I153 WeakPolarHBondContact O-CG1 3.4Å; R149-I153 PolarHBondContact O-N 3.47Å; T150-I153 PolarHBondContact O-N 3.29Å; V151-I153 PolarHBondContact O-N 2.92Å; I153-K156 PolarHBondContact O-N 2.93Å; I153-H157 VanDerWaalsContact CG2-CD2 3.43Å; I153-H157 WeakPolarHBondContact CG2-CD2 3.37Å; I153-H157 WeakPolarHBondContact CG2-NE2 3.41Å; I153-H157 PolarHBondContact O-CD2 3.12Å; I153-H157 PolarHBondContact O-N 3.19Å; I153-N183 WeakPolarHBondContact CD1-OD1 3.46Å; I153-N183 HydrophobicContact CG2-CB 4.48Å; I153-C186 HydrophobicContact CB-CB 4.38Å; I153-C186 HydrophobicContact CG2-CB 3.59Å
154	L	63	Low	63.1	Low	13 Å²	13	71.2 Å²	71.2	7%	0.068	37%	0.372	C	S	.	.	H	α-helix	trans	-57.4	-50.1	171.5	-119.2	111.8	0	0	0	111.3	T150 V151 K156 H157 E158 C186 E189	T150-L154 HydrophobicContact CG2-CD1 4.03Å; T150-L154 WeakPolarHBondContact O-CB 3.46Å; T150-L154 PolarHBondContact O-N 2.84Å; V151-L154 PolarHBondContact O-N 3.3Å; L154-K156 VanDerWaalsContact C-N 3.31Å; L154-K156 PolarHBondContact O-N 3.31Å; L154-H157 PolarHBondContact O-N 3.02Å; L154-E158 VanDerWaalsContact O-CB 3.27Å; L154-E158 WeakPolarHBondContact O-CB 3.24Å; L154-E158 PolarHBondContact O-N 2.83Å; L154-C186 HydrophobicContact CD1-CB 4.01Å; L154-C186 HydrophobicContact CG-CB 4.38Å; L154-E189 HydrophobicContact CD1-CB 4.27Å; L154-E189 WeakPolarHBondContact CD1-OE2 3.41Å; L154-E189 HydrophobicContact CD2-CB 4.2Å; L154-E189 HydrophobicContact CD2-CG 4.2Å; L154-E189 HydrophobicContact CG-CB 4.47Å
155	G	70.3	Confident	63.7	Low	40 Å²	40	76 Å²	76	41%	0.412	39%	0.391	S	S	.	.	H	α-helix	trans	-58.6	-41.9	178.8	0	0	0	0	0	112.5	V151 A159	V151-G155 PolarHBondContact O-N 2.72Å; G155-A159 VanDerWaalsContact O-CB 3.24Å; G155-A159 WeakPolarHBondContact O-CB 3.14Å; G155-A159 PolarHBondContact O-N 3.28Å
156	K	78.7	Confident	64.6	Low	117 Å²	117	75.4 Å²	75.4	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-46.7	175.1	-177.5	-171.5	176	-165.3	0	112.4	G152 I153 L154 Q160	G152-K156 WeakPolarHBondContact O-CB 3.36Å; G152-K156 PolarHBondContact O-N 2.95Å; G152-K156 VanDerWaalsContact O-N 3.07Å; I153-K156 PolarHBondContact O-N 2.93Å; L154-K156 VanDerWaalsContact C-N 3.31Å; L154-K156 PolarHBondContact O-N 3.31Å; K156-Q160 WeakPolarHBondContact O-CG 3.38Å; K156-Q160 PolarHBondContact O-N 3.46Å; K156-Q160 VanDerWaalsContact O-N 3.15Å
157	H	75.9	Confident	65.5	Low	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-70.4	-42.3	178.9	-66.2	-49.3	0	0	0	112.2	I153 L154 A159 Q160 I161 L174 E178 V187 A190	I153-H157 VanDerWaalsContact CG2-CD2 3.43Å; I153-H157 WeakPolarHBondContact CG2-CD2 3.37Å; I153-H157 WeakPolarHBondContact CG2-NE2 3.41Å; I153-H157 PolarHBondContact O-CD2 3.12Å; I153-H157 PolarHBondContact O-N 3.19Å; L154-H157 PolarHBondContact O-N 3.02Å; H157-A159 VanDerWaalsContact C-N 3.3Å; H157-A159 PolarHBondContact O-N 2.87Å; H157-Q160 PolarHBondContact O-N 3.35Å; H157-Q160 VanDerWaalsContact O-N 3.08Å; H157-I161 VanDerWaalsContact O-CG1 3.31Å; H157-I161 WeakPolarHBondContact O-CG1 3.38Å; H157-I161 PolarHBondContact O-N 3.48Å; H157-L174 HydrophobicContact CB-CD1 4.12Å; H157-L174 VanDerWaalsContact ND1-CD2 3.33Å; H157-L174 WeakPolarHBondContact ND1-CD2 3.43Å; H157-E178 IonicContact CE1-OE1 2.68Å; H157-E178 PolarHBondContact CE1-OE1 3.45Å; H157-E178 IonicContact NE2-OE1 3.64Å; H157-V187 HydrophobicContact CB-CG2 4.49Å; H157-V187 WeakPolarHBondContact NE2-CG2 3.44Å; H157-A190 HydrophobicContact CB-CB 3.71Å
158	E	70.2	Confident	65.9	Low	21 Å²	21	71.8 Å²	71.8	10%	0.098	38%	0.377	C	S	.	.	H	α-helix	trans	-60.9	-41.9	177.7	-160.6	-164.4	-121.3	0	0	110.2	L154 Q160 I161 K162 A190 R193 R197	L154-E158 VanDerWaalsContact O-CB 3.27Å; L154-E158 WeakPolarHBondContact O-CB 3.24Å; L154-E158 PolarHBondContact O-N 2.83Å; E158-Q160 PolarHBondContact O-N 3.2Å; E158-I161 PolarHBondContact O-N 2.97Å; E158-K162 HydrophobicContact CG-CD 4.22Å; E158-K162 WeakPolarHBondContact O-CB 3.39Å; E158-K162 WeakPolarHBondContact O-CD 3.24Å; E158-K162 WeakPolarHBondContact O-CG 3.47Å; E158-K162 PolarHBondContact O-N 2.75Å; E158-K162 VanDerWaalsContact OE2-CE 3.26Å; E158-K162 WeakPolarHBondContact OE2-CE 3.4Å; E158-K162 IonicContact OE2-NZ 3.55Å; E158-K162 PolarHBondContact OE2-NZ 3.36Å; E158-A190 HydrophobicContact CB-CB 4.02Å; E158-R193 WeakPolarHBondContact OE1-CB 3.34Å; E158-R197 IonicContact OE1-CZ 3.97Å; E158-R197 IonicContact OE1-NH1 3.46Å; E158-R197 PolarHBondContact OE1-NH1 3.23Å; E158-R197 IonicContact OE1-NH2 3.71Å; E158-R197 PolarHBondContact OE1-NH2 3.13Å; E158-R197 IonicContact OE2-CZ 2.62Å; E158-R197 IonicContact OE2-NH1 3.38Å; E158-R197 PolarHBondContact OE2-NH1 3.02Å; E158-R197 IonicContact OE2-NH2 3.5Å
159	A	75.6	Confident	66.4	Low	45 Å²	45	68.3 Å²	68.3	37%	0.372	36%	0.362	S	S	.	.	H	α-helix	trans	-63	-36.4	173.4	0	0	0	0	0	113.5	G155 H157 K163	G155-A159 VanDerWaalsContact O-CB 3.24Å; G155-A159 WeakPolarHBondContact O-CB 3.14Å; G155-A159 PolarHBondContact O-N 3.28Å; H157-A159 VanDerWaalsContact C-N 3.3Å; H157-A159 PolarHBondContact O-N 2.87Å; A159-K163 WeakPolarHBondContact O-CG 3.45Å; A159-K163 PolarHBondContact O-N 3.03Å
160	Q	74.7	Confident	67.1	Low	87 Å²	87	64.6 Å²	64.6	41%	0.407	35%	0.35	S	S	.	.	H	α-helix	trans	-71.9	-41.6	175.7	-73.9	-169.4	8.3	0	0	112.7	K156 H157 E158 K163 V170	K156-Q160 WeakPolarHBondContact O-CG 3.38Å; K156-Q160 PolarHBondContact O-N 3.46Å; K156-Q160 VanDerWaalsContact O-N 3.15Å; H157-Q160 PolarHBondContact O-N 3.35Å; H157-Q160 VanDerWaalsContact O-N 3.08Å; E158-Q160 PolarHBondContact O-N 3.2Å; Q160-K163 PolarHBondContact O-N 3.25Å; Q160-V170 HydrophobicContact CB-CG1 4.44Å
161	I	70.4	Confident	67.6	Low	1 Å²	1	62.9 Å²	62.9	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-69.4	-40.1	178.5	-59	162.4	0	0	0	110.1	H157 E158 K163 Q164 C167 V170 I171 L174 A190 A194	H157-I161 VanDerWaalsContact O-CG1 3.31Å; H157-I161 WeakPolarHBondContact O-CG1 3.38Å; H157-I161 PolarHBondContact O-N 3.48Å; E158-I161 PolarHBondContact O-N 2.97Å; I161-K163 VanDerWaalsContact C-N 3.31Å; I161-K163 PolarHBondContact O-N 3.18Å; I161-Q164 PolarHBondContact O-N 3.03Å; I161-C167 HydrophobicContact CG2-CB 3.92Å; I161-V170 HydrophobicContact CG1-CG1 3.92Å; I161-I171 HydrophobicContact CD1-CG1 3.9Å; I161-I171 HydrophobicContact CG1-CG1 4.07Å; I161-I171 HydrophobicContact CG2-CD1 4.49Å; I161-I171 HydrophobicContact CG2-CG1 4.43Å; I161-L174 HydrophobicContact CD1-CD1 4.07Å; I161-L174 HydrophobicContact CG1-CD1 3.92Å; I161-A190 HydrophobicContact CD1-CB 4.01Å; I161-A194 HydrophobicContact CB-CB 4.13Å; I161-A194 HydrophobicContact CG2-CB 3.49Å; I161-A194 VanDerWaalsContact CG2-CB 3.49Å
162	K	71.1	Confident	67.5	Low	96 Å²	96	64 Å²	64	42%	0.417	33%	0.332	S	S	.	.	H	α-helix	trans	-54.6	-41	173.8	-83.4	167.8	166.8	172.9	0	113.2	E158 Q164 R198	E158-K162 HydrophobicContact CG-CD 4.22Å; E158-K162 WeakPolarHBondContact O-CB 3.39Å; E158-K162 WeakPolarHBondContact O-CD 3.24Å; E158-K162 WeakPolarHBondContact O-CG 3.47Å; E158-K162 PolarHBondContact O-N 2.75Å; E158-K162 VanDerWaalsContact OE2-CE 3.26Å; E158-K162 WeakPolarHBondContact OE2-CE 3.4Å; E158-K162 IonicContact OE2-NZ 3.55Å; E158-K162 PolarHBondContact OE2-NZ 3.36Å; K162-Q164 VanDerWaalsContact C-N 3.29Å; K162-Q164 PolarHBondContact O-N 2.94Å; K162-R198 PolarHBondContact O-NH2 2.6Å
163	K	74.3	Confident	67.6	Low	183 Å²	183	68 Å²	68	80%	0.796	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-6	-173.6	-80.4	-177.4	177.9	-170.4	0	115.8	A159 Q160 I161	A159-K163 WeakPolarHBondContact O-CG 3.45Å; A159-K163 PolarHBondContact O-N 3.03Å; Q160-K163 PolarHBondContact O-N 3.25Å; I161-K163 VanDerWaalsContact C-N 3.31Å; I161-K163 PolarHBondContact O-N 3.18Å
164	Q	67.7	Low	67.7	Low	105 Å²	105	67.1 Å²	67.1	49%	0.491	33%	0.331	S	S	.	.			trans	-125.7	136	-163	-74.8	-77.4	-10.3	0	0	112.6	I161 K162 V170 R198	I161-Q164 PolarHBondContact O-N 3.03Å; K162-Q164 VanDerWaalsContact C-N 3.29Å; K162-Q164 PolarHBondContact O-N 2.94Å; Q164-V170 HydrophobicContact CB-CG2 3.37Å; Q164-V170 HydrophobicContact CG-CG2 3.5Å; Q164-V170 VanDerWaalsContact CG-CG2 3.5Å; Q164-R198 VanDerWaalsContact O-CZ 3.31Å; Q164-R198 PolarHBondContact O-NH1 3.41Å; Q164-R198 PolarHBondContact O-NH2 2.75Å
165	K	63.1	Low	67.7	Low	192 Å²	192	66.7 Å²	66.7	84%	0.835	33%	0.329	S	S	*	.	S	Bend	trans	-61.9	-53	-179.6	-74.8	-171.1	175.6	-176	0	111.6	C167 R198	K165-C167 PolarHBondContact O-N 3.46Å; K165-R198 PolarHBondContact O-NH1 2.71Å
166	N	67.8	Low	67.2	Low	98 Å²	98	65.9 Å²	65.9	52%	0.524	32%	0.318	S	S	.	.			trans	-89.4	91.7	178.1	-173.2	-30.4	0	0	0	110.9	V168 S169 V170	N166-V168 PolarHBondContact O-N 2.89Å; N166-V168 PolarHBondContact OD1-N 3.18Å; N166-S169 PolarHBondContact O-N 3.02Å; N166-S169 WeakPolarHBondContact OD1-CB 3.24Å; N166-S169 PolarHBondContact OD1-N 3.46Å; N166-V170 PolarHBondContact O-N 2.98Å
167	C	60.4	Low	66.7	Low	21 Å²	21	67.7 Å²	67.7	14%	0.142	33%	0.326	C	S	.	.	H	α-helix	trans	-59	-44.2	177.7	51.4	0	0	0	0	112.5	I161 K165 S169 V170 I171	I161-C167 HydrophobicContact CG2-CB 3.92Å; K165-C167 PolarHBondContact O-N 3.46Å; C167-S169 VanDerWaalsContact C-N 3.27Å; C167-S169 PolarHBondContact O-N 2.9Å; C167-V170 WeakPolarHBondContact O-CB 3.22Å; C167-V170 PolarHBondContact O-N 3.11Å; C167-I171 HydrophobicContact CB-CD1 4.28Å; C167-I171 WeakPolarHBondContact O-CD1 3.45Å; C167-I171 WeakPolarHBondContact O-CG1 3.46Å; C167-I171 PolarHBondContact O-N 2.72Å
168	V	57.2	Low	66.1	Low	54 Å²	54	69.2 Å²	69.2	33%	0.327	33%	0.333	S	S	.	.	H	α-helix	trans	-57.9	-38.7	-179.1	-177.4	0	0	0	0	111.9	N166 I171 R172	N166-V168 PolarHBondContact O-N 2.89Å; N166-V168 PolarHBondContact OD1-N 3.18Å; V168-I171 PolarHBondContact O-N 3.34Å; V168-R172 WeakPolarHBondContact O-CG 3.49Å; V168-R172 PolarHBondContact O-N 2.88Å
169	S	63.1	Low	65.3	Low	47 Å²	47	73.1 Å²	73.1	33%	0.329	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-43.3	174.6	-173	0	0	0	0	112.3	N166 C167 K173	N166-S169 PolarHBondContact O-N 3.02Å; N166-S169 WeakPolarHBondContact OD1-CB 3.24Å; N166-S169 PolarHBondContact OD1-N 3.46Å; C167-S169 VanDerWaalsContact C-N 3.27Å; C167-S169 PolarHBondContact O-N 2.9Å; S169-K173 WeakPolarHBondContact O-CB 3.41Å; S169-K173 WeakPolarHBondContact O-CG 3.27Å; S169-K173 PolarHBondContact O-N 3.23Å; S169-K173 VanDerWaalsContact O-N 3.08Å
170	V	64.9	Low	64.3	Low	17 Å²	17	73.2 Å²	73.2	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-45.7	175.8	-179.2	0	0	0	0	110.9	Q160 I161 Q164 N166 C167 R172 K173 L174	Q160-V170 HydrophobicContact CB-CG1 4.44Å; I161-V170 HydrophobicContact CG1-CG1 3.92Å; Q164-V170 HydrophobicContact CB-CG2 3.37Å; Q164-V170 HydrophobicContact CG-CG2 3.5Å; Q164-V170 VanDerWaalsContact CG-CG2 3.5Å; N166-V170 PolarHBondContact O-N 2.98Å; C167-V170 WeakPolarHBondContact O-CB 3.22Å; C167-V170 PolarHBondContact O-N 3.11Å; V170-R172 PolarHBondContact O-N 2.95Å; V170-K173 CarbonylContact O-C 3.43Å; V170-K173 WeakPolarHBondContact O-CA 3.22Å; V170-K173 PolarHBondContact O-N 3.38Å; V170-K173 VanDerWaalsContact O-N 3.12Å; V170-L174 HydrophobicContact CG1-CD1 3.92Å; V170-L174 HydrophobicContact CG1-CG 4.15Å; V170-L174 WeakPolarHBondContact O-CB 3.34Å; V170-L174 WeakPolarHBondContact O-CG 3.47Å; V170-L174 PolarHBondContact O-N 2.78Å
171	I	62.1	Low	62.9	Low	4 Å²	4	74.1 Å²	74.1	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-39.6	-175	-57.8	158.2	0	0	0	110.5	I161 C167 V168 L174 L175 V187 S191 F214	I161-I171 HydrophobicContact CD1-CG1 3.9Å; I161-I171 HydrophobicContact CG1-CG1 4.07Å; I161-I171 HydrophobicContact CG2-CD1 4.49Å; I161-I171 HydrophobicContact CG2-CG1 4.43Å; C167-I171 HydrophobicContact CB-CD1 4.28Å; C167-I171 WeakPolarHBondContact O-CD1 3.45Å; C167-I171 WeakPolarHBondContact O-CG1 3.46Å; C167-I171 PolarHBondContact O-N 2.72Å; V168-I171 PolarHBondContact O-N 3.34Å; I171-L174 PolarHBondContact O-N 3.12Å; I171-L175 HydrophobicContact CG2-CD1 4.06Å; I171-L175 HydrophobicContact CG2-CG 4.31Å; I171-L175 WeakPolarHBondContact O-CB 3.34Å; I171-L175 WeakPolarHBondContact O-CG 3.26Å; I171-L175 PolarHBondContact O-N 2.92Å; I171-V187 HydrophobicContact CG2-CG1 3.88Å; I171-S191 WeakPolarHBondContact CD1-OG 3.27Å; I171-S191 VanDerWaalsContact CG1-OG 3.25Å; I171-S191 WeakPolarHBondContact CG1-OG 3.47Å; I171-S191 VanDerWaalsContact CG2-OG 3.25Å; I171-S191 WeakPolarHBondContact CG2-OG 3.19Å; I171-F214 HydrophobicContact CB-CE2 4.41Å; I171-F214 HydrophobicContact CD1-CE2 4.45Å; I171-F214 HydrophobicContact CG2-CE2 3.47Å; I171-F214 VanDerWaalsContact CG2-CE2 3.47Å; I171-F214 HydrophobicContact CG2-CZ 3.8Å
172	R	58.6	Low	61.9	Low	130 Å²	130	75 Å²	75	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-45.4	170	-72.2	179.3	-176	176.3	3.7	111.8	V168 V170 L174 L175 A176	V168-R172 WeakPolarHBondContact O-CG 3.49Å; V168-R172 PolarHBondContact O-N 2.88Å; V170-R172 PolarHBondContact O-N 2.95Å; R172-L174 VanDerWaalsContact C-N 3.28Å; R172-L174 PolarHBondContact O-N 3.08Å; R172-L175 PolarHBondContact O-N 3.22Å; R172-A176 VanDerWaalsContact O-CB 3.24Å; R172-A176 WeakPolarHBondContact O-CB 3.01Å; R172-A176 PolarHBondContact O-N 2.87Å
173	K	67.2	Low	61.4	Low	133 Å²	133	71.1 Å²	71.1	58%	0.578	34%	0.335	S	S	*	.	H	α-helix	trans	-66.2	-25.2	176.1	-75.3	174.6	177	179.3	0	114	S169 V170 K177	S169-K173 WeakPolarHBondContact O-CB 3.41Å; S169-K173 WeakPolarHBondContact O-CG 3.27Å; S169-K173 PolarHBondContact O-N 3.23Å; S169-K173 VanDerWaalsContact O-N 3.08Å; V170-K173 CarbonylContact O-C 3.43Å; V170-K173 WeakPolarHBondContact O-CA 3.22Å; V170-K173 PolarHBondContact O-N 3.38Å; V170-K173 VanDerWaalsContact O-N 3.12Å; K173-K177 VanDerWaalsContact O-CG 3.28Å; K173-K177 WeakPolarHBondContact O-CG 3.48Å
174	L	65.7	Low	60.3	Low	6 Å²	6	62.4 Å²	62.4	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-78.4	-52.6	173.4	-77.8	178	0	0	0	110.8	H157 I161 V170 I171 R172 A176 K177 E178 V187	H157-L174 HydrophobicContact CB-CD1 4.12Å; H157-L174 VanDerWaalsContact ND1-CD2 3.33Å; H157-L174 WeakPolarHBondContact ND1-CD2 3.43Å; I161-L174 HydrophobicContact CD1-CD1 4.07Å; I161-L174 HydrophobicContact CG1-CD1 3.92Å; V170-L174 HydrophobicContact CG1-CD1 3.92Å; V170-L174 HydrophobicContact CG1-CG 4.15Å; V170-L174 WeakPolarHBondContact O-CB 3.34Å; V170-L174 WeakPolarHBondContact O-CG 3.47Å; V170-L174 PolarHBondContact O-N 2.78Å; I171-L174 PolarHBondContact O-N 3.12Å; R172-L174 VanDerWaalsContact C-N 3.28Å; R172-L174 PolarHBondContact O-N 3.08Å; L174-A176 PolarHBondContact O-N 2.93Å; L174-K177 PolarHBondContact O-N 3.47Å; L174-E178 WeakPolarHBondContact O-CB 3.47Å; L174-E178 WeakPolarHBondContact O-CG 3.49Å; L174-E178 PolarHBondContact O-N 3.46Å; L174-V187 HydrophobicContact CB-CB 4.44Å; L174-V187 HydrophobicContact CB-CG1 3.67Å; L174-V187 HydrophobicContact CB-CG2 3.79Å; L174-V187 HydrophobicContact CD1-CG1 4.22Å; L174-V187 HydrophobicContact CD1-CG2 4.3Å; L174-V187 HydrophobicContact CG-CG2 4.5Å
175	L	62.2	Low	59.6	Low	4 Å²	4	60 Å²	60	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-56.9	-35.5	176	-68.3	172	0	0	0	112.3	I171 R172 K177 I184 V187 F218 Y221	I171-L175 HydrophobicContact CG2-CD1 4.06Å; I171-L175 HydrophobicContact CG2-CG 4.31Å; I171-L175 WeakPolarHBondContact O-CB 3.34Å; I171-L175 WeakPolarHBondContact O-CG 3.26Å; I171-L175 PolarHBondContact O-N 2.92Å; R172-L175 PolarHBondContact O-N 3.22Å; L175-K177 VanDerWaalsContact C-N 3.34Å; L175-I184 HydrophobicContact CD2-CG2 4.01Å; L175-V187 HydrophobicContact CD2-CB 4.24Å; L175-V187 HydrophobicContact CD2-CG1 3.85Å; L175-V187 HydrophobicContact CG-CG1 3.91Å; L175-F218 HydrophobicContact CD2-CD2 4.31Å; L175-F218 HydrophobicContact CD2-CE2 4.23Å; L175-Y221 VanDerWaalsContact C-OH 3.23Å; L175-Y221 HydrophobicContact CB-CD1 4.5Å; L175-Y221 HydrophobicContact CB-CE1 4.05Å; L175-Y221 PolarHBondContact O-OH 2.98Å
176	A	59.9	Low	59.5	Low	22 Å²	22	51 Å²	51	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.3	174.8	0	0	0	0	0	114.2	R172 L174 H179 Y221	R172-A176 VanDerWaalsContact O-CB 3.24Å; R172-A176 WeakPolarHBondContact O-CB 3.01Å; R172-A176 PolarHBondContact O-N 2.87Å; L174-A176 PolarHBondContact O-N 2.93Å; A176-H179 PolarHBondContact O-CE1 3.02Å; A176-H179 VanDerWaalsContact O-CE1 3.23Å; A176-Y221 WeakPolarHBondContact CA-OH 3.21Å
177	K	67.9	Low	59.3	Low	156 Å²	156	46.3 Å²	46.3	68%	0.678	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-28.6	179.6	-74.8	-178.2	178	-166.1	0	113.7	K173 L174 L175 H179	K173-K177 VanDerWaalsContact O-CG 3.28Å; K173-K177 WeakPolarHBondContact O-CG 3.48Å; L174-K177 PolarHBondContact O-N 3.47Å; L175-K177 VanDerWaalsContact C-N 3.34Å; K177-H179 PolarHBondContact O-N 2.92Å
178	E	64.4	Low	59.1	Low	31 Å²	31	45.9 Å²	45.9	15%	0.145	22%	0.221	C	C	.	.			trans	-91.6	104.2	-175	-64	-54.7	160.1	0	0	110.5	H157 L174 N183 I184 V187	H157-E178 IonicContact CE1-OE1 2.68Å; H157-E178 PolarHBondContact CE1-OE1 3.45Å; H157-E178 IonicContact NE2-OE1 3.64Å; L174-E178 WeakPolarHBondContact O-CB 3.47Å; L174-E178 WeakPolarHBondContact O-CG 3.49Å; L174-E178 PolarHBondContact O-N 3.46Å; E178-N183 HydrophobicContact CB-CB 3.75Å; E178-N183 HydrophobicContact CG-CB 4.01Å; E178-N183 WeakPolarHBondContact OE2-CB 3.28Å; E178-N183 PolarHBondContact OE2-ND2 3.25Å; E178-I184 WeakPolarHBondContact O-CD1 3.32Å; E178-I184 WeakPolarHBondContact O-CG1 3.16Å; E178-V187 HydrophobicContact CB-CG2 4.48Å; E178-V187 HydrophobicContact CG-CG2 3.95Å
179	H	53.6	Low	59.2	Low	104 Å²	104	46.9 Å²	46.9	48%	0.481	22%	0.222	S	C	.	.			trans	-99.2	9.4	-177.5	-51	-48.8	0	0	0	114	A176 K177 Y225	A176-H179 PolarHBondContact O-CE1 3.02Å; A176-H179 VanDerWaalsContact O-CE1 3.23Å; K177-H179 PolarHBondContact O-N 2.92Å; H179-Y225 PolarHBondContact O-OH 3.36Å
180	D	54.3	Low	59.3	Low	47 Å²	47	44.6 Å²	44.6	25%	0.251	21%	0.207	S	C	.	.	S	Bend	trans	-105.2	134.2	175.2	-171.1	-12.3	0	0	0	108.1	R149 V182 N183 I184	R149-D180 IonicContact CZ-OD2 3.18Å; R149-D180 IonicContact NH1-OD2 2.75Å; R149-D180 PolarHBondContact NH1-OD2 3.41Å; R149-D180 IonicContact NH2-OD2 3.43Å; R149-D180 PolarHBondContact NH2-OD2 3.03Å; D180-V182 PolarHBondContact O-N 3.18Å; D180-V182 PolarHBondContact OD1-N 3.42Å; D180-N183 HydrophobicContact CB-CB 4.13Å; D180-N183 PolarHBondContact O-N 2.92Å; D180-I184 WeakPolarHBondContact O-CG1 3.28Å; D180-I184 PolarHBondContact O-N 3.05Å
181	Y	45.3	Very low	59.1	Low	105 Å²	105	43.8 Å²	43.8	41%	0.412	20%	0.202	S	C	.	.	H	α-helix	trans	-60.3	-34.5	-178.1	178	-105.3	0	0	0	111.4	I184 L185 V222 M226	Y181-I184 PolarHBondContact O-N 2.83Å; Y181-L185 HydrophobicContact CD1-CD1 3.96Å; Y181-L185 HydrophobicContact CE1-CD1 3.46Å; Y181-L185 VanDerWaalsContact CE1-CD1 3.46Å; Y181-L185 HydrophobicContact CE1-CG 4.27Å; Y181-L185 WeakPolarHBondContact O-CG 3.39Å; Y181-L185 PolarHBondContact O-N 2.82Å; Y181-V222 HydrophobicContact CE2-CG1 4.31Å; Y181-M226 HydrophobicContact CD2-CE 3.98Å; Y181-M226 HydrophobicContact CE2-CE 4.01Å
182	V	49.8	Very low	58.8	Low	19 Å²	19	47.1 Å²	47.1	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-46.9	173.7	-171.3	0	0	0	0	110.6	Y146 D180 L185 C186	Y146-V182 HydrophobicContact CD1-CG2 4.41Å; Y146-V182 HydrophobicContact CE1-CG1 4.32Å; Y146-V182 HydrophobicContact CE1-CG2 3.44Å; Y146-V182 VanDerWaalsContact CE1-CG2 3.44Å; D180-V182 PolarHBondContact O-N 3.18Å; D180-V182 PolarHBondContact OD1-N 3.42Å; V182-L185 PolarHBondContact O-N 2.86Å; V182-C186 PolarHBondContact O-N 3.39Å; V182-C186 PolarHBondContact O-SG 3.02Å
183	N	59.2	Low	59	Low	15 Å²	15	46.4 Å²	46.4	8%	0.08	22%	0.219	C	C	.	.	H	α-helix	trans	-70.7	-38.7	-177.6	-60.1	14.6	0	0	0	110.8	I153 E178 D180 L185 C186 V187	I153-N183 WeakPolarHBondContact CD1-OD1 3.46Å; I153-N183 HydrophobicContact CG2-CB 4.48Å; E178-N183 HydrophobicContact CB-CB 3.75Å; E178-N183 HydrophobicContact CG-CB 4.01Å; E178-N183 WeakPolarHBondContact OE2-CB 3.28Å; E178-N183 PolarHBondContact OE2-ND2 3.25Å; D180-N183 HydrophobicContact CB-CB 4.13Å; D180-N183 PolarHBondContact O-N 2.92Å; N183-L185 VanDerWaalsContact C-N 3.31Å; N183-L185 PolarHBondContact O-N 3.16Å; N183-C186 WeakPolarHBondContact O-CB 3.33Å; N183-C186 PolarHBondContact O-N 2.78Å; N183-V187 VanDerWaalsContact O-CG2 3.27Å; N183-V187 WeakPolarHBondContact O-CG2 3.12Å; N183-V187 PolarHBondContact O-N 2.9Å
184	I	53.1	Low	58.8	Low	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-57.5	-43	172.7	-71.4	170.9	0	0	0	111	L175 E178 D180 Y181 A188 F218 V222 Y225	L175-I184 HydrophobicContact CD2-CG2 4.01Å; E178-I184 WeakPolarHBondContact O-CD1 3.32Å; E178-I184 WeakPolarHBondContact O-CG1 3.16Å; D180-I184 WeakPolarHBondContact O-CG1 3.28Å; D180-I184 PolarHBondContact O-N 3.05Å; Y181-I184 PolarHBondContact O-N 2.83Å; I184-A188 PolarHBondContact O-N 3.26Å; I184-A188 VanDerWaalsContact O-N 3.08Å; I184-F218 HydrophobicContact CG2-CE2 3.46Å; I184-F218 VanDerWaalsContact CG2-CE2 3.46Å; I184-F218 HydrophobicContact CG2-CZ 3.83Å; I184-V222 HydrophobicContact CG2-CG2 4.11Å; I184-Y225 HydrophobicContact CD1-CD2 4.18Å; I184-Y225 HydrophobicContact CD1-CE2 4.25Å
185	L	52.9	Low	58.3	Low	55 Å²	55	42.9 Å²	42.9	29%	0.288	21%	0.207	S	C	.	.	H	α-helix	trans	-65.9	-45.3	172.5	-74.8	172.5	0	0	0	112.5	Y181 V182 N183 V187 A188 E189 F218	Y181-L185 HydrophobicContact CD1-CD1 3.96Å; Y181-L185 HydrophobicContact CE1-CD1 3.46Å; Y181-L185 VanDerWaalsContact CE1-CD1 3.46Å; Y181-L185 HydrophobicContact CE1-CG 4.27Å; Y181-L185 WeakPolarHBondContact O-CG 3.39Å; Y181-L185 PolarHBondContact O-N 2.82Å; V182-L185 PolarHBondContact O-N 2.86Å; N183-L185 VanDerWaalsContact C-N 3.31Å; N183-L185 PolarHBondContact O-N 3.16Å; L185-V187 VanDerWaalsContact C-N 3.27Å; L185-V187 PolarHBondContact O-N 3.46Å; L185-A188 PolarHBondContact O-N 2.89Å; L185-A188 VanDerWaalsContact O-N 3.08Å; L185-E189 PolarHBondContact O-N 3.4Å; L185-F218 HydrophobicContact CD2-CZ 4.15Å
186	C	60.6	Low	58	Low	2 Å²	2	48.1 Å²	48.1	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-38.8	176.8	-64.5	0	0	0	0	112.1	I153 L154 V182 N183 A190	I153-C186 HydrophobicContact CB-CB 4.38Å; I153-C186 HydrophobicContact CG2-CB 3.59Å; L154-C186 HydrophobicContact CD1-CB 4.01Å; L154-C186 HydrophobicContact CG-CB 4.38Å; V182-C186 PolarHBondContact O-N 3.39Å; V182-C186 PolarHBondContact O-SG 3.02Å; N183-C186 WeakPolarHBondContact O-CB 3.33Å; N183-C186 PolarHBondContact O-N 2.78Å; C186-A190 WeakPolarHBondContact O-CB 3.42Å; C186-A190 PolarHBondContact O-N 3.31Å
187	V	62.5	Low	58	Low	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-46	173.8	170.5	0	0	0	0	110.6	H157 I171 L174 L175 E178 N183 L185 S191	H157-V187 HydrophobicContact CB-CG2 4.49Å; H157-V187 WeakPolarHBondContact NE2-CG2 3.44Å; I171-V187 HydrophobicContact CG2-CG1 3.88Å; L174-V187 HydrophobicContact CB-CB 4.44Å; L174-V187 HydrophobicContact CB-CG1 3.67Å; L174-V187 HydrophobicContact CB-CG2 3.79Å; L174-V187 HydrophobicContact CD1-CG1 4.22Å; L174-V187 HydrophobicContact CD1-CG2 4.3Å; L174-V187 HydrophobicContact CG-CG2 4.5Å; L175-V187 HydrophobicContact CD2-CB 4.24Å; L175-V187 HydrophobicContact CD2-CG1 3.85Å; L175-V187 HydrophobicContact CG-CG1 3.91Å; E178-V187 HydrophobicContact CB-CG2 4.48Å; E178-V187 HydrophobicContact CG-CG2 3.95Å; N183-V187 VanDerWaalsContact O-CG2 3.27Å; N183-V187 WeakPolarHBondContact O-CG2 3.12Å; N183-V187 PolarHBondContact O-N 2.9Å; L185-V187 VanDerWaalsContact C-N 3.27Å; L185-V187 PolarHBondContact O-N 3.46Å; V187-S191 WeakPolarHBondContact O-CB 3.42Å; V187-S191 PolarHBondContact O-N 2.81Å; V187-S191 PolarHBondContact O-OG 2.83Å
188	A	55.8	Low	57.5	Low	12 Å²	12	50.2 Å²	50.2	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-44	178.7	0	0	0	0	0	112.5	I184 L185 S191 V192 F214 F218	I184-A188 PolarHBondContact O-N 3.26Å; I184-A188 VanDerWaalsContact O-N 3.08Å; L185-A188 PolarHBondContact O-N 2.89Å; L185-A188 VanDerWaalsContact O-N 3.08Å; A188-S191 WeakPolarHBondContact O-CA 3.45Å; A188-S191 VanDerWaalsContact O-CB 3.23Å; A188-S191 WeakPolarHBondContact O-CB 3.38Å; A188-S191 PolarHBondContact O-N 3.43Å; A188-S191 VanDerWaalsContact O-N 3.14Å; A188-V192 PolarHBondContact O-N 2.93Å; A188-F214 HydrophobicContact CB-CE1 4.47Å; A188-F218 HydrophobicContact CB-CD2 3.94Å; A188-F218 HydrophobicContact CB-CE1 4.47Å; A188-F218 HydrophobicContact CB-CE2 3.5Å; A188-F218 VanDerWaalsContact CB-CE2 3.5Å; A188-F218 HydrophobicContact CB-CZ 3.8Å
189	E	59.7	Low	56.5	Low	74 Å²	74	49.2 Å²	49.2	35%	0.346	23%	0.227	S	C	.	.	H	α-helix	trans	-68.4	-43.3	178.8	-158.6	-164	141.2	0	0	111.6	L154 L185 S191 V192 R193	L154-E189 HydrophobicContact CD1-CB 4.27Å; L154-E189 WeakPolarHBondContact CD1-OE2 3.41Å; L154-E189 HydrophobicContact CD2-CB 4.2Å; L154-E189 HydrophobicContact CD2-CG 4.2Å; L154-E189 HydrophobicContact CG-CB 4.47Å; L185-E189 PolarHBondContact O-N 3.4Å; E189-S191 PolarHBondContact O-N 2.97Å; E189-V192 PolarHBondContact O-N 2.89Å; E189-V192 VanDerWaalsContact O-N 3.16Å; E189-R193 WeakPolarHBondContact O-CB 3.49Å; E189-R193 WeakPolarHBondContact O-CG 3.42Å; E189-R193 PolarHBondContact O-N 2.9Å; E189-R193 IonicContact OE1-CZ 2.65Å; E189-R193 IonicContact OE1-NE 3.1Å; E189-R193 PolarHBondContact OE1-NE 3.11Å; E189-R193 IonicContact OE1-NH2 2.61Å; E189-R193 PolarHBondContact OE1-NH2 2.82Å
190	A	64.6	Low	56	Low	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-30.7	170.8	0	0	0	0	0	112.5	H157 E158 I161 C186 A194	H157-A190 HydrophobicContact CB-CB 3.71Å; E158-A190 HydrophobicContact CB-CB 4.02Å; I161-A190 HydrophobicContact CD1-CB 4.01Å; C186-A190 WeakPolarHBondContact O-CB 3.42Å; C186-A190 PolarHBondContact O-N 3.31Å; A190-A194 WeakPolarHBondContact O-CB 3.07Å; A190-A194 PolarHBondContact O-N 3.45Å
191	S	61.2	Low	55.5	Low	0 Å²	0	59 Å²	59	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.1	-47.9	173.2	-55.5	0	0	0	0	111.6	I171 V187 A188 E189 A194 M195	I171-S191 WeakPolarHBondContact CD1-OG 3.27Å; I171-S191 VanDerWaalsContact CG1-OG 3.25Å; I171-S191 WeakPolarHBondContact CG1-OG 3.47Å; I171-S191 VanDerWaalsContact CG2-OG 3.25Å; I171-S191 WeakPolarHBondContact CG2-OG 3.19Å; V187-S191 WeakPolarHBondContact O-CB 3.42Å; V187-S191 PolarHBondContact O-N 2.81Å; V187-S191 PolarHBondContact O-OG 2.83Å; A188-S191 WeakPolarHBondContact O-CA 3.45Å; A188-S191 VanDerWaalsContact O-CB 3.23Å; A188-S191 WeakPolarHBondContact O-CB 3.38Å; A188-S191 PolarHBondContact O-N 3.43Å; A188-S191 VanDerWaalsContact O-N 3.14Å; E189-S191 PolarHBondContact O-N 2.97Å; S191-A194 PolarHBondContact O-N 3.38Å; S191-M195 WeakPolarHBondContact O-CB 3.02Å; S191-M195 VanDerWaalsContact O-CG 3.32Å; S191-M195 WeakPolarHBondContact O-CG 3.35Å; S191-M195 PolarHBondContact O-N 2.68Å
192	V	56.8	Low	55.2	Low	73 Å²	73	58.1 Å²	58.1	44%	0.442	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-46.7	176.5	174.2	0	0	0	0	110.9	A188 E189 A194 M195 K196	A188-V192 PolarHBondContact O-N 2.93Å; E189-V192 PolarHBondContact O-N 2.89Å; E189-V192 VanDerWaalsContact O-N 3.16Å; V192-A194 VanDerWaalsContact C-N 3.32Å; V192-A194 PolarHBondContact O-N 2.67Å; V192-M195 HydrophobicContact CG2-CE 4.44Å; V192-M195 PolarHBondContact O-N 3.42Å; V192-K196 PolarHBondContact O-N 2.91Å
193	R	63.2	Low	54.6	Low	116 Å²	116	62 Å²	62	44%	0.438	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-35.5	176	-68.7	177.2	-179.9	-130.3	4.3	112.8	E158 E189 R197	E158-R193 WeakPolarHBondContact OE1-CB 3.34Å; E189-R193 WeakPolarHBondContact O-CB 3.49Å; E189-R193 WeakPolarHBondContact O-CG 3.42Å; E189-R193 PolarHBondContact O-N 2.9Å; E189-R193 IonicContact OE1-CZ 2.65Å; E189-R193 IonicContact OE1-NE 3.1Å; E189-R193 PolarHBondContact OE1-NE 3.11Å; E189-R193 IonicContact OE1-NH2 2.61Å; E189-R193 PolarHBondContact OE1-NH2 2.82Å; R193-R197 PolarHBondContact O-N 3.25Å
194	A	61.3	Low	53.8	Low	10 Å²	10	68.1 Å²	68.1	8%	0.083	32%	0.317	C	S	.	.	H	α-helix	trans	-74.7	-36.5	175.4	0	0	0	0	0	112.8	I161 A190 S191 V192 R198	I161-A194 HydrophobicContact CB-CB 4.13Å; I161-A194 HydrophobicContact CG2-CB 3.49Å; I161-A194 VanDerWaalsContact CG2-CB 3.49Å; A190-A194 WeakPolarHBondContact O-CB 3.07Å; A190-A194 PolarHBondContact O-N 3.45Å; S191-A194 PolarHBondContact O-N 3.38Å; V192-A194 VanDerWaalsContact C-N 3.32Å; V192-A194 PolarHBondContact O-N 2.67Å; A194-R198 PolarHBondContact O-N 3.19Å; A194-R198 VanDerWaalsContact O-N 3.15Å
195	M	56.2	Low	53.1	Low	54 Å²	54	74 Å²	74	27%	0.266	35%	0.353	S	S	.	.	H	α-helix	trans	-67.3	-45.7	174	-72.7	-174.3	-67.2	0	0	111.3	S191 V192 R197 R198 G199 I210 F214	S191-M195 WeakPolarHBondContact O-CB 3.02Å; S191-M195 VanDerWaalsContact O-CG 3.32Å; S191-M195 WeakPolarHBondContact O-CG 3.35Å; S191-M195 PolarHBondContact O-N 2.68Å; V192-M195 HydrophobicContact CG2-CE 4.44Å; V192-M195 PolarHBondContact O-N 3.42Å; M195-R197 PolarHBondContact O-N 3.01Å; M195-R198 PolarHBondContact O-N 2.9Å; M195-G199 PolarHBondContact O-N 2.97Å; M195-G199 VanDerWaalsContact O-N 3.16Å; M195-I210 HydrophobicContact SD-CG2 4.33Å; M195-F214 HydrophobicContact CE-CD1 3.95Å; M195-F214 HydrophobicContact CE-CE1 4.43Å; M195-F214 HydrophobicContact CE-CG 4.27Å
196	K	55.7	Low	52.6	Low	115 Å²	115	74.4 Å²	74.4	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-51.8	-51.9	171.5	-83	-153.2	172.8	-155.6	0	110.8	D20 V192 R198 G199	D20-K196 IonicContact OD1-NZ 2.74Å; V192-K196 PolarHBondContact O-N 2.91Å; K196-R198 VanDerWaalsContact C-N 3.33Å; K196-R198 PolarHBondContact O-N 3.21Å; K196-G199 PolarHBondContact O-N 2.84Å
197	R	60	Low	51.7	Low	155 Å²	155	76.3 Å²	76.3	59%	0.585	37%	0.369	S	S	*	.	H	α-helix	trans	-68.6	-20.3	-178	-72.1	-157.9	-161.8	86.1	-12.2	115.8	E158 R193 M195	E158-R197 IonicContact OE1-CZ 3.97Å; E158-R197 IonicContact OE1-NH1 3.46Å; E158-R197 PolarHBondContact OE1-NH1 3.23Å; E158-R197 IonicContact OE1-NH2 3.71Å; E158-R197 PolarHBondContact OE1-NH2 3.13Å; E158-R197 IonicContact OE2-CZ 2.62Å; E158-R197 IonicContact OE2-NH1 3.38Å; E158-R197 PolarHBondContact OE2-NH1 3.02Å; E158-R197 IonicContact OE2-NH2 3.5Å; R193-R197 PolarHBondContact O-N 3.25Å; M195-R197 PolarHBondContact O-N 3.01Å
198	R	56.9	Low	50.6	Low	66 Å²	66	80.1 Å²	80.1	25%	0.249	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	7.2	171.2	-69.7	-162.7	-175.2	161.3	5.8	113.5	K162 Q164 K165 A194 M195 K196 K200 Q201 Y202	K162-R198 PolarHBondContact O-NH2 2.6Å; Q164-R198 VanDerWaalsContact O-CZ 3.31Å; Q164-R198 PolarHBondContact O-NH1 3.41Å; Q164-R198 PolarHBondContact O-NH2 2.75Å; K165-R198 PolarHBondContact O-NH1 2.71Å; A194-R198 PolarHBondContact O-N 3.19Å; A194-R198 VanDerWaalsContact O-N 3.15Å; M195-R198 PolarHBondContact O-N 2.9Å; K196-R198 VanDerWaalsContact C-N 3.33Å; K196-R198 PolarHBondContact O-N 3.21Å; R198-K200 PolarHBondContact O-N 2.86Å; R198-Q201 PolarHBondContact O-N 3.19Å; R198-Y202 HydrophobicContact CB-CD2 3.98Å; R198-Y202 HydrophobicContact CB-CE2 4.1Å
199	G	43.3	Very low	50.1	Low	10 Å²	10	84 Å²	84	10%	0.103	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-44.9	-53.8	-173	0	0	0	0	0	113.9	M195 K196 Q201 Y202 L203	M195-G199 PolarHBondContact O-N 2.97Å; M195-G199 VanDerWaalsContact O-N 3.16Å; K196-G199 PolarHBondContact O-N 2.84Å; G199-Q201 PolarHBondContact O-N 2.88Å; G199-Y202 PolarHBondContact O-N 2.92Å; G199-L203 VanDerWaalsContact C-CD1 3.48Å; G199-L203 VanDerWaalsContact O-CB 3.29Å; G199-L203 WeakPolarHBondContact O-CB 3.48Å; G199-L203 VanDerWaalsContact O-CG 3.23Å; G199-L203 WeakPolarHBondContact O-CG 3.46Å; G199-L203 PolarHBondContact O-N 2.99Å
200	K	42.7	Very low	49.1	Very low	188 Å²	188	83.3 Å²	83.3	82%	0.817	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-61.8	0.3	-178.4	-69.3	-165.7	175.2	-169.1	0	116.5	R198	R198-K200 PolarHBondContact O-N 2.86Å
201	Q	45.1	Very low	48	Very low	168 Å²	168	86 Å²	86	79%	0.785	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-119.9	2.1	170.4	-76.3	-171.7	-26.2	0	0	114.3	R198 G199	R198-Q201 PolarHBondContact O-N 3.19Å; G199-Q201 PolarHBondContact O-N 2.88Å
202	Y	38.8	Very low	47.3	Very low	87 Å²	87	91.4 Å²	91.4	34%	0.341	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-17.3	177.3	-70.1	-85.5	0	0	0	113.7	R198 G199 D204	R198-Y202 HydrophobicContact CB-CD2 3.98Å; R198-Y202 HydrophobicContact CB-CE2 4.1Å; G199-Y202 PolarHBondContact O-N 2.92Å; Y202-D204 VanDerWaalsContact C-N 3.33Å; Y202-D204 PolarHBondContact O-N 3.15Å
203	L	36.2	Very low	46.8	Very low	101 Å²	101	91.9 Å²	91.9	53%	0.529	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.6	-175	-83.7	165.5	0	0	0	113.8	G199 T205 T207	G199-L203 VanDerWaalsContact C-CD1 3.48Å; G199-L203 VanDerWaalsContact O-CB 3.29Å; G199-L203 WeakPolarHBondContact O-CB 3.48Å; G199-L203 VanDerWaalsContact O-CG 3.23Å; G199-L203 WeakPolarHBondContact O-CG 3.46Å; G199-L203 PolarHBondContact O-N 2.99Å; L203-T205 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 3.46Å; L203-T207 WeakPolarHBondContact CA-OG1 3.46Å; L203-T207 HydrophobicContact CD2-CG2 3.99Å; L203-T207 HydrophobicContact CG-CG2 4.29Å; L203-T207 PolarHBondContact O-OG1 3.41Å
204	D	42.2	Very low	45.9	Very low	144 Å²	144	87.8 Å²	87.8	77%	0.77	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.7	-167.2	-59.1	-19.4	0	0	0	115.1	Y202	Y202-D204 VanDerWaalsContact C-N 3.33Å; Y202-D204 PolarHBondContact O-N 3.15Å
205	T	39.6	Very low	45.4	Very low	124 Å²	124	95.7 Å²	95.7	76%	0.761	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.1	-24.2	-173.3	49.7	0	0	0	0	118.5	L203	L203-T205 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 3.46Å
206	T	42.8	Very low	45.1	Very low	64 Å²	64	98.3 Å²	98.3	39%	0.393	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.1	-1	-166.7	48.9	0	0	0	0	116.9	I210	T206-I210 WeakPolarHBondContact O-CG1 3.4Å; T206-I210 PolarHBondContact O-N 2.91Å
207	T	40.4	Very low	44.8	Very low	41 Å²	41	95.8 Å²	95.8	25%	0.252	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-43.2	-171.4	21.8	0	0	0	0	117	L203 D209 I210 A211	L203-T207 WeakPolarHBondContact CA-OG1 3.46Å; L203-T207 HydrophobicContact CD2-CG2 3.99Å; L203-T207 HydrophobicContact CG-CG2 4.29Å; L203-T207 PolarHBondContact O-OG1 3.41Å; T207-D209 VanDerWaalsContact C-N 3.33Å; T207-D209 PolarHBondContact O-N 3.5Å; T207-I210 PolarHBondContact O-N 3.49Å; T207-A211 WeakPolarHBondContact O-CB 3.36Å; T207-A211 PolarHBondContact O-N 2.97Å
208	P	39.9	Very low	44.2	Very low	81 Å²	81	90.1 Å²	90.1	53%	0.526	45%	0.445	S	S	.	.	H	α-helix	trans	-62.8	-39.4	-174.5	-24.1	35.1	0	0	0	112.7	R212	P208-R212 WeakPolarHBondContact O-CB 3.29Å; P208-R212 PolarHBondContact O-N 3.15Å
209	D	44.4	Very low	44	Very low	93 Å²	93	91.7 Å²	91.7	50%	0.497	46%	0.455	S	S	.	.	H	α-helix	trans	-77.3	-36.8	179.6	-72	-47.7	0	0	0	112.3	T207 A211 R212 D213	T207-D209 VanDerWaalsContact C-N 3.33Å; T207-D209 PolarHBondContact O-N 3.5Å; D209-A211 VanDerWaalsContact C-N 3.32Å; D209-A211 PolarHBondContact O-N 3.45Å; D209-R212 PolarHBondContact O-N 2.95Å; D209-R212 IonicContact OD1-CZ 3.69Å; D209-R212 IonicContact OD1-NH1 3.94Å; D209-R212 PolarHBondContact OD1-NH1 3.17Å; D209-D213 VanDerWaalsContact O-CB 3.32Å; D209-D213 WeakPolarHBondContact O-CB 3.45Å; D209-D213 PolarHBondContact O-N 2.88Å
210	I	40.2	Very low	44.5	Very low	60 Å²	60	96.4 Å²	96.4	31%	0.308	47%	0.47	S	S	.	.	H	α-helix	trans	-61.2	-41.7	173.4	-66.1	169.4	0	0	0	110.9	M195 T206 T207 F214	M195-I210 HydrophobicContact SD-CG2 4.33Å; T206-I210 WeakPolarHBondContact O-CG1 3.4Å; T206-I210 PolarHBondContact O-N 2.91Å; T207-I210 PolarHBondContact O-N 3.49Å; I210-F214 WeakPolarHBondContact O-CB 3.31Å; I210-F214 PolarHBondContact O-N 3.32Å
211	A	41.8	Very low	45	Very low	55 Å²	55	89.1 Å²	89.1	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-68.5	-40.9	176.6	0	0	0	0	0	112.5	T207 D209 F214 R215	T207-A211 WeakPolarHBondContact O-CB 3.36Å; T207-A211 PolarHBondContact O-N 2.97Å; D209-A211 VanDerWaalsContact C-N 3.32Å; D209-A211 PolarHBondContact O-N 3.45Å; A211-F214 PolarHBondContact O-N 2.95Å; A211-R215 PolarHBondContact O-N 3.4Å
212	R	45.2	Very low	45.3	Very low	115 Å²	115	82.3 Å²	82.3	43%	0.434	41%	0.407	S	S	.	.	H	α-helix	trans	-66.3	-44.8	177.8	-176	-177.8	-67.2	135.2	-1.5	112.1	P208 D209 R215 R216	P208-R212 WeakPolarHBondContact O-CB 3.29Å; P208-R212 PolarHBondContact O-N 3.15Å; D209-R212 PolarHBondContact O-N 2.95Å; D209-R212 IonicContact OD1-CZ 3.69Å; D209-R212 IonicContact OD1-NH1 3.94Å; D209-R212 PolarHBondContact OD1-NH1 3.17Å; R212-R215 PolarHBondContact O-N 2.87Å; R212-R216 WeakPolarHBondContact O-CB 3.21Å; R212-R216 WeakPolarHBondContact O-CG 3.19Å; R212-R216 PolarHBondContact O-N 3.32Å
213	D	47.2	Very low	46.1	Very low	83 Å²	83	81.8 Å²	81.8	44%	0.444	42%	0.416	S	S	.	.	H	α-helix	trans	-68.2	-35.7	173.7	-87.4	-3.3	0	0	0	111.5	D209 R216 I217	D209-D213 VanDerWaalsContact O-CB 3.32Å; D209-D213 WeakPolarHBondContact O-CB 3.45Å; D209-D213 PolarHBondContact O-N 2.88Å; D213-R216 PolarHBondContact O-N 3.28Å; D213-I217 VanDerWaalsContact O-CB 3.28Å; D213-I217 WeakPolarHBondContact O-CB 3.32Å; D213-I217 WeakPolarHBondContact O-CD1 3.3Å; D213-I217 WeakPolarHBondContact O-CG1 3.22Å; D213-I217 PolarHBondContact O-N 3.1Å
214	F	44.8	Very low	47	Very low	30 Å²	30	78.7 Å²	78.7	13%	0.132	40%	0.4	C	S	.	.	H	α-helix	trans	-63	-47.9	174	-172.7	-109	0	0	0	111.7	I171 A188 M195 I210 A211 I217 F218	I171-F214 HydrophobicContact CB-CE2 4.41Å; I171-F214 HydrophobicContact CD1-CE2 4.45Å; I171-F214 HydrophobicContact CG2-CE2 3.47Å; I171-F214 VanDerWaalsContact CG2-CE2 3.47Å; I171-F214 HydrophobicContact CG2-CZ 3.8Å; A188-F214 HydrophobicContact CB-CE1 4.47Å; M195-F214 HydrophobicContact CE-CD1 3.95Å; M195-F214 HydrophobicContact CE-CE1 4.43Å; M195-F214 HydrophobicContact CE-CG 4.27Å; I210-F214 WeakPolarHBondContact O-CB 3.31Å; I210-F214 PolarHBondContact O-N 3.32Å; A211-F214 PolarHBondContact O-N 2.95Å; F214-I217 PolarHBondContact O-N 2.86Å; F214-F218 VanDerWaalsContact O-CB 3.28Å; F214-F218 WeakPolarHBondContact O-CB 3.37Å; F214-F218 PolarHBondContact O-N 2.77Å
215	R	50.1	Low	47.6	Very low	176 Å²	176	72.5 Å²	72.5	66%	0.664	37%	0.366	S	S	*	.	H	α-helix	trans	-59	-47.9	174.6	-179.7	177.7	-78	-156.1	-0.5	111	A211 R212 F218 E219	A211-R215 PolarHBondContact O-N 3.4Å; R212-R215 PolarHBondContact O-N 2.87Å; R215-F218 PolarHBondContact O-N 2.66Å; R215-E219 VanDerWaalsContact CD-OE1 3.3Å; R215-E219 WeakPolarHBondContact CD-OE1 3.23Å; R215-E219 HydrophobicContact CG-CG 4.25Å; R215-E219 WeakPolarHBondContact CG-OE1 3.33Å; R215-E219 WeakPolarHBondContact O-CB 3.29Å; R215-E219 WeakPolarHBondContact O-CG 3.47Å; R215-E219 PolarHBondContact O-N 2.96Å
216	R	50.5	Low	48.2	Very low	108 Å²	108	70.4 Å²	70.4	41%	0.408	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-48.8	176	-84.2	175.4	152.1	-173.7	-6.8	113.4	R212 D213 F218 E219 R220 D298	R212-R216 WeakPolarHBondContact O-CB 3.21Å; R212-R216 WeakPolarHBondContact O-CG 3.19Å; R212-R216 PolarHBondContact O-N 3.32Å; D213-R216 PolarHBondContact O-N 3.28Å; R216-F218 VanDerWaalsContact C-N 3.29Å; R216-F218 PolarHBondContact O-N 3.31Å; R216-E219 PolarHBondContact O-N 2.89Å; R216-R220 VanDerWaalsContact O-CB 3.25Å; R216-R220 WeakPolarHBondContact O-CB 3.44Å; R216-R220 PolarHBondContact O-N 2.92Å; R216-D298 IonicContact CZ-OD1 3.37Å; R216-D298 IonicContact CZ-OD2 3.42Å; R216-D298 IonicContact NE-OD2 3.34Å; R216-D298 IonicContact NH2-OD1 3.37Å; R216-D298 PolarHBondContact NH2-OD1 3.35Å; R216-D298 IonicContact NH2-OD2 2.67Å; R216-D298 PolarHBondContact NH2-OD2 2.8Å
217	I	47.8	Very low	49	Very low	62 Å²	62	72.2 Å²	72.2	32%	0.318	35%	0.352	S	S	.	.	H	α-helix	trans	-60.8	-43.8	178.7	-71.8	166.1	0	0	0	109.4	D213 F214 R220 Y221	D213-I217 VanDerWaalsContact O-CB 3.28Å; D213-I217 WeakPolarHBondContact O-CB 3.32Å; D213-I217 WeakPolarHBondContact O-CD1 3.3Å; D213-I217 WeakPolarHBondContact O-CG1 3.22Å; D213-I217 PolarHBondContact O-N 3.1Å; F214-I217 PolarHBondContact O-N 2.86Å; I217-R220 PolarHBondContact O-N 2.8Å; I217-Y221 WeakPolarHBondContact O-CB 3.46Å; I217-Y221 PolarHBondContact O-N 3.26Å
218	F	49.2	Very low	49.8	Very low	37 Å²	37	71.5 Å²	71.5	16%	0.162	35%	0.346	C	S	.	.	H	α-helix	trans	-64.3	-49.8	178.5	-173.2	-100.9	0	0	0	112.6	L175 I184 L185 A188 F214 R215 R216 R220 Y221 V222	L175-F218 HydrophobicContact CD2-CD2 4.31Å; L175-F218 HydrophobicContact CD2-CE2 4.23Å; I184-F218 HydrophobicContact CG2-CE2 3.46Å; I184-F218 VanDerWaalsContact CG2-CE2 3.46Å; I184-F218 HydrophobicContact CG2-CZ 3.83Å; L185-F218 HydrophobicContact CD2-CZ 4.15Å; A188-F218 HydrophobicContact CB-CD2 3.94Å; A188-F218 HydrophobicContact CB-CE1 4.47Å; A188-F218 HydrophobicContact CB-CE2 3.5Å; A188-F218 VanDerWaalsContact CB-CE2 3.5Å; A188-F218 HydrophobicContact CB-CZ 3.8Å; F214-F218 VanDerWaalsContact O-CB 3.28Å; F214-F218 WeakPolarHBondContact O-CB 3.37Å; F214-F218 PolarHBondContact O-N 2.77Å; R215-F218 PolarHBondContact O-N 2.66Å; R216-F218 VanDerWaalsContact C-N 3.29Å; R216-F218 PolarHBondContact O-N 3.31Å; F218-R220 VanDerWaalsContact C-N 3.31Å; F218-R220 PolarHBondContact O-N 2.91Å; F218-Y221 PolarHBondContact O-N 3.5Å; F218-V222 HydrophobicContact CD1-CG2 4.18Å; F218-V222 HydrophobicContact CD2-CG2 4.45Å; F218-V222 HydrophobicContact CE1-CG2 3.8Å; F218-V222 HydrophobicContact CE2-CG2 4.09Å; F218-V222 HydrophobicContact CG-CG2 4.49Å; F218-V222 HydrophobicContact CZ-CG2 3.75Å; F218-V222 WeakPolarHBondContact O-CB 3.32Å; F218-V222 WeakPolarHBondContact O-CG2 3.47Å; F218-V222 PolarHBondContact O-N 2.79Å
219	E	51.4	Low	50.5	Low	99 Å²	99	73.6 Å²	73.6	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-57.5	-43.3	175.4	-74.2	168.8	-178.5	0	0	111.4	R215 R216 S223	R215-E219 VanDerWaalsContact CD-OE1 3.3Å; R215-E219 WeakPolarHBondContact CD-OE1 3.23Å; R215-E219 HydrophobicContact CG-CG 4.25Å; R215-E219 WeakPolarHBondContact CG-OE1 3.33Å; R215-E219 WeakPolarHBondContact O-CB 3.29Å; R215-E219 WeakPolarHBondContact O-CG 3.47Å; R215-E219 PolarHBondContact O-N 2.96Å; R216-E219 PolarHBondContact O-N 2.89Å; E219-S223 WeakPolarHBondContact O-CB 3.28Å; E219-S223 PolarHBondContact O-N 3.31Å; E219-S223 PolarHBondContact O-OG 3.25Å
220	R	53.8	Low	50.9	Low	109 Å²	109	76.8 Å²	76.8	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-67.2	-40.2	178	-147.6	-176.4	-151.3	-174	12.2	111.7	R216 I217 F218 S223 L224 D244 N247	R216-R220 VanDerWaalsContact O-CB 3.25Å; R216-R220 WeakPolarHBondContact O-CB 3.44Å; R216-R220 PolarHBondContact O-N 2.92Å; I217-R220 PolarHBondContact O-N 2.8Å; F218-R220 VanDerWaalsContact C-N 3.31Å; F218-R220 PolarHBondContact O-N 2.91Å; R220-S223 PolarHBondContact O-N 3.46Å; R220-L224 WeakPolarHBondContact O-CB 3.47Å; R220-L224 WeakPolarHBondContact O-CG 3.5Å; R220-L224 PolarHBondContact O-N 3.47Å; R220-D244 IonicContact NH1-OD1 2.68Å; R220-D244 PolarHBondContact NH1-OD1 3.27Å; R220-N247 VanDerWaalsContact NH2-CG 3.31Å; R220-N247 PolarHBondContact NH2-OD1 3.35Å; R220-N247 VanDerWaalsContact NH2-OD1 3.14Å
221	Y	52.5	Low	51.8	Low	34 Å²	34	79.9 Å²	79.9	13%	0.133	37%	0.369	C	S	.	.	H	α-helix	trans	-68	-47	179.2	-164.2	-93.5	0	0	0	111.7	L175 A176 I217 F218 S223 L224 Y225 L240	L175-Y221 VanDerWaalsContact C-OH 3.23Å; L175-Y221 HydrophobicContact CB-CD1 4.5Å; L175-Y221 HydrophobicContact CB-CE1 4.05Å; L175-Y221 PolarHBondContact O-OH 2.98Å; A176-Y221 WeakPolarHBondContact CA-OH 3.21Å; I217-Y221 WeakPolarHBondContact O-CB 3.46Å; I217-Y221 PolarHBondContact O-N 3.26Å; F218-Y221 PolarHBondContact O-N 3.5Å; Y221-S223 VanDerWaalsContact C-N 3.35Å; Y221-L224 PolarHBondContact O-N 2.78Å; Y221-Y225 WeakPolarHBondContact O-CB 3.46Å; Y221-Y225 PolarHBondContact O-N 2.92Å; Y221-L240 HydrophobicContact CD2-CD2 4.12Å; Y221-L240 HydrophobicContact CE2-CB 4.5Å; Y221-L240 HydrophobicContact CE2-CD1 3.65Å; Y221-L240 HydrophobicContact CE2-CD2 3.89Å; Y221-L240 HydrophobicContact CE2-CG 4.22Å; Y221-L240 WeakPolarHBondContact OH-CD1 3.32Å
222	V	51.6	Low	51.8	Low	26 Å²	26	80.5 Å²	80.5	16%	0.158	38%	0.38	C	S	.	.	H	α-helix	trans	-62.5	-41.7	173.5	173	0	0	0	0	110.7	Y181 I184 F218 Y225 M226	Y181-V222 HydrophobicContact CE2-CG1 4.31Å; I184-V222 HydrophobicContact CG2-CG2 4.11Å; F218-V222 HydrophobicContact CD1-CG2 4.18Å; F218-V222 HydrophobicContact CD2-CG2 4.45Å; F218-V222 HydrophobicContact CE1-CG2 3.8Å; F218-V222 HydrophobicContact CE2-CG2 4.09Å; F218-V222 HydrophobicContact CG-CG2 4.49Å; F218-V222 HydrophobicContact CZ-CG2 3.75Å; F218-V222 WeakPolarHBondContact O-CB 3.32Å; F218-V222 WeakPolarHBondContact O-CG2 3.47Å; F218-V222 PolarHBondContact O-N 2.79Å; V222-Y225 PolarHBondContact O-N 2.99Å; V222-M226 HydrophobicContact CG1-CG 4.28Å; V222-M226 WeakPolarHBondContact O-CB 3.4Å; V222-M226 VanDerWaalsContact O-CG 3.24Å; V222-M226 WeakPolarHBondContact O-CG 3.46Å; V222-M226 PolarHBondContact O-N 2.69Å
223	S	57.1	Low	52	Low	75 Å²	75	79 Å²	79	52%	0.524	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-46.5	176.6	-60.8	0	0	0	0	112.4	E219 R220 Y221 M226 Q227	E219-S223 WeakPolarHBondContact O-CB 3.28Å; E219-S223 PolarHBondContact O-N 3.31Å; E219-S223 PolarHBondContact O-OG 3.25Å; R220-S223 PolarHBondContact O-N 3.46Å; Y221-S223 VanDerWaalsContact C-N 3.35Å; S223-M226 PolarHBondContact O-N 2.69Å; S223-Q227 VanDerWaalsContact O-CB 3.3Å; S223-Q227 WeakPolarHBondContact O-CB 3.34Å; S223-Q227 PolarHBondContact O-N 3.27Å
224	L	54.8	Low	52.2	Low	37 Å²	37	80.7 Å²	80.7	19%	0.194	39%	0.389	C	S	.	.	H	α-helix	trans	-64	-43.5	176.3	-78.8	165.4	0	0	0	111.7	R220 Y221 Q227 Q228 L240 A243	R220-L224 WeakPolarHBondContact O-CB 3.47Å; R220-L224 WeakPolarHBondContact O-CG 3.5Å; R220-L224 PolarHBondContact O-N 3.47Å; Y221-L224 PolarHBondContact O-N 2.78Å; L224-Q227 PolarHBondContact O-N 3.23Å; L224-Q228 WeakPolarHBondContact O-CB 3.39Å; L224-Q228 WeakPolarHBondContact O-CG 3.22Å; L224-Q228 PolarHBondContact O-N 3.12Å; L224-L240 HydrophobicContact CB-CD2 4.25Å; L224-A243 HydrophobicContact CD1-CB 4Å; L224-A243 HydrophobicContact CD2-CB 4.03Å
225	Y	53.6	Low	52.5	Low	14 Å²	14	80 Å²	80	6%	0.055	39%	0.387	C	S	.	.	H	α-helix	trans	-59.2	-48.8	175.7	177	-81.5	0	0	0	111.3	H179 I184 Y221 V222 Q228 R229 P235	H179-Y225 PolarHBondContact O-OH 3.36Å; I184-Y225 HydrophobicContact CD1-CD2 4.18Å; I184-Y225 HydrophobicContact CD1-CE2 4.25Å; Y221-Y225 WeakPolarHBondContact O-CB 3.46Å; Y221-Y225 PolarHBondContact O-N 2.92Å; V222-Y225 PolarHBondContact O-N 2.99Å; Y225-Q228 PolarHBondContact O-N 3.29Å; Y225-R229 HydrophobicContact CD1-CG 4.15Å; Y225-R229 HydrophobicContact CE1-CG 3.77Å; Y225-R229 WeakPolarHBondContact O-CB 3.43Å; Y225-R229 VanDerWaalsContact O-CG 3.26Å; Y225-R229 WeakPolarHBondContact O-CG 3.09Å; Y225-R229 PolarHBondContact O-N 2.84Å; Y225-R229 PolarHBondContact OH-NE 3.26Å; Y225-R229 PolarHBondContact OH-NH2 2.86Å; Y225-P235 HydrophobicContact CD2-CB 4.46Å; Y225-P235 HydrophobicContact CD2-CG 3.46Å; Y225-P235 VanDerWaalsContact CD2-CG 3.46Å; Y225-P235 HydrophobicContact CE2-CG 3.72Å; Y225-P235 HydrophobicContact CG-CG 4.36Å
226	M	53.2	Low	53	Low	80 Å²	80	75 Å²	75	39%	0.394	38%	0.377	S	S	.	.	H	α-helix	trans	-64.9	-41.6	177.7	-72.5	-64.9	-166.1	0	0	111.9	Y181 V222 S223 R229 Q230	Y181-M226 HydrophobicContact CD2-CE 3.98Å; Y181-M226 HydrophobicContact CE2-CE 4.01Å; V222-M226 HydrophobicContact CG1-CG 4.28Å; V222-M226 WeakPolarHBondContact O-CB 3.4Å; V222-M226 VanDerWaalsContact O-CG 3.24Å; V222-M226 WeakPolarHBondContact O-CG 3.46Å; V222-M226 PolarHBondContact O-N 2.69Å; S223-M226 PolarHBondContact O-N 2.69Å; M226-R229 PolarHBondContact O-N 3.21Å; M226-Q230 WeakPolarHBondContact O-CB 3.42Å; M226-Q230 VanDerWaalsContact O-CG 3.3Å; M226-Q230 WeakPolarHBondContact O-CG 3.3Å; M226-Q230 PolarHBondContact O-N 3.38Å
227	Q	59.4	Low	53	Low	101 Å²	101	76 Å²	76	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-65.8	-43.6	177.9	-172.4	-179	0.6	0	0	111.9	S223 L224 Q230 H231	S223-Q227 VanDerWaalsContact O-CB 3.3Å; S223-Q227 WeakPolarHBondContact O-CB 3.34Å; S223-Q227 PolarHBondContact O-N 3.27Å; L224-Q227 PolarHBondContact O-N 3.23Å; Q227-Q230 PolarHBondContact O-N 3.44Å; Q227-H231 PolarHBondContact O-CD2 2.84Å; Q227-H231 PolarHBondContact O-N 2.81Å; Q227-H231 VanDerWaalsContact O-N 3.11Å
228	Q	57.8	Low	53.4	Low	26 Å²	26	76.1 Å²	76.1	12%	0.121	40%	0.396	C	S	.	.	H	α-helix	trans	-64.6	-43.4	176	-72.9	-179.8	3.9	0	0	110.9	L224 Y225 Q230 H231 G232 I233 P235	L224-Q228 WeakPolarHBondContact O-CB 3.39Å; L224-Q228 WeakPolarHBondContact O-CG 3.22Å; L224-Q228 PolarHBondContact O-N 3.12Å; Y225-Q228 PolarHBondContact O-N 3.29Å; Q228-Q230 PolarHBondContact O-N 2.95Å; Q228-H231 CarbonylContact O-C 3.58Å; Q228-H231 PolarHBondContact O-N 3.3Å; Q228-H231 VanDerWaalsContact O-N 3.07Å; Q228-G232 PolarHBondContact O-N 2.77Å; Q228-G232 VanDerWaalsContact O-N 3.13Å; Q228-I233 CarbonylContact C-O 3.58Å; Q228-I233 HydrophobicContact CB-CB 4.05Å; Q228-I233 HydrophobicContact CB-CG2 4.27Å; Q228-I233 HydrophobicContact CG-CB 4.5Å; Q228-I233 HydrophobicContact CG-CG2 4.41Å; Q228-I233 PolarHBondContact O-N 2.68Å; Q228-P235 VanDerWaalsContact OE1-CA 3.25Å; Q228-P235 VanDerWaalsContact OE1-CB 3.27Å
229	R	55	Low	53.7	Low	125 Å²	125	76.3 Å²	76.3	47%	0.472	40%	0.4	S	S	.	.	H	α-helix	trans	-56.5	-43.8	171.3	-78.2	-72.6	-161	159.2	2.7	113	Y225 M226 H231 G232	Y225-R229 HydrophobicContact CD1-CG 4.15Å; Y225-R229 HydrophobicContact CE1-CG 3.77Å; Y225-R229 WeakPolarHBondContact O-CB 3.43Å; Y225-R229 VanDerWaalsContact O-CG 3.26Å; Y225-R229 WeakPolarHBondContact O-CG 3.09Å; Y225-R229 PolarHBondContact O-N 2.84Å; Y225-R229 PolarHBondContact OH-NE 3.26Å; Y225-R229 PolarHBondContact OH-NH2 2.86Å; M226-R229 PolarHBondContact O-N 3.21Å; R229-H231 PolarHBondContact O-N 3.36Å; R229-G232 PolarHBondContact O-N 2.91Å
230	Q	51.7	Low	53.9	Low	160 Å²	160	72.4 Å²	72.4	75%	0.748	38%	0.382	S	S	*	.	H	α-helix	trans	-63.1	-29.2	176.1	-78	175.2	-2.5	0	0	112.9	M226 Q227 Q228	M226-Q230 WeakPolarHBondContact O-CB 3.42Å; M226-Q230 VanDerWaalsContact O-CG 3.3Å; M226-Q230 WeakPolarHBondContact O-CG 3.3Å; M226-Q230 PolarHBondContact O-N 3.38Å; Q227-Q230 PolarHBondContact O-N 3.44Å; Q228-Q230 PolarHBondContact O-N 2.95Å
231	H	59.1	Low	54	Low	126 Å²	126	72 Å²	72	58%	0.583	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	6.7	173.7	-62.4	-45	0	0	0	113.9	Q227 Q228 R229 I233	Q227-H231 PolarHBondContact O-CD2 2.84Å; Q227-H231 PolarHBondContact O-N 2.81Å; Q227-H231 VanDerWaalsContact O-N 3.11Å; Q228-H231 CarbonylContact O-C 3.58Å; Q228-H231 PolarHBondContact O-N 3.3Å; Q228-H231 VanDerWaalsContact O-N 3.07Å; R229-H231 PolarHBondContact O-N 3.36Å; H231-I233 HydrophobicContact CB-CD1 4.16Å; H231-I233 HydrophobicContact CB-CG1 4.28Å; H231-I233 PolarHBondContact O-N 2.87Å
232	G	41.2	Very low	54.1	Low	67 Å²	67	76.3 Å²	76.3	69%	0.691	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	9	-178.3	0	0	0	0	0	114.9	Q228 R229	Q228-G232 PolarHBondContact O-N 2.77Å; Q228-G232 VanDerWaalsContact O-N 3.13Å; R229-G232 PolarHBondContact O-N 2.91Å
233	I	49.5	Very low	54.1	Low	85 Å²	85	75.9 Å²	75.9	44%	0.436	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-87.4	127.3	179.5	-58.7	171.6	0	0	0	108.6	Q228 H231 P235	Q228-I233 CarbonylContact C-O 3.58Å; Q228-I233 HydrophobicContact CB-CB 4.05Å; Q228-I233 HydrophobicContact CB-CG2 4.27Å; Q228-I233 HydrophobicContact CG-CB 4.5Å; Q228-I233 HydrophobicContact CG-CG2 4.41Å; Q228-I233 PolarHBondContact O-N 2.68Å; H231-I233 HydrophobicContact CB-CD1 4.16Å; H231-I233 HydrophobicContact CB-CG1 4.28Å; H231-I233 PolarHBondContact O-N 2.87Å; I233-P235 WeakPolarHBondContact O-CD 3.47Å
234	N	52.3	Low	53.8	Low	118 Å²	118	74.3 Å²	74.3	63%	0.631	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-80.3	121.3	169.1	-75.8	-37.5	0	0	0	109.4	T236	N234-T236 PolarHBondContact O-N 3.48Å
235	P	51.6	Low	53.3	Low	14 Å²	14	75 Å²	75	9%	0.091	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-62.6	127.2	178.4	18.4	-27.3	0	0	0	111.9	Y225 Q228 I233 L240	Y225-P235 HydrophobicContact CD2-CB 4.46Å; Y225-P235 HydrophobicContact CD2-CG 3.46Å; Y225-P235 VanDerWaalsContact CD2-CG 3.46Å; Y225-P235 HydrophobicContact CE2-CG 3.72Å; Y225-P235 HydrophobicContact CG-CG 4.36Å; Q228-P235 VanDerWaalsContact OE1-CA 3.25Å; Q228-P235 VanDerWaalsContact OE1-CB 3.27Å; I233-P235 WeakPolarHBondContact O-CD 3.47Å; P235-L240 HydrophobicContact CB-CD1 4.07Å; P235-L240 HydrophobicContact CB-CG 4.4Å
236	T	59.2	Low	52.8	Low	73 Å²	73	80 Å²	80	45%	0.448	43%	0.433	S	S	.	.			trans	-110	155.7	169.5	67.9	0	0	0	0	110.4	N234 A238 T239 L240	N234-T236 PolarHBondContact O-N 3.48Å; T236-A238 PolarHBondContact O-N 2.98Å; T236-T239 PolarHBondContact N-OG1 2.63Å; T236-T239 PolarHBondContact O-N 3.1Å; T236-T239 VanDerWaalsContact O-N 3.13Å; T236-T239 PolarHBondContact O-OG1 2.68Å; T236-T239 PolarHBondContact OG1-N 2.84Å; T236-T239 PolarHBondContact OG1-OG1 3.11Å; T236-L240 WeakPolarHBondContact O-CG 3.29Å; T236-L240 PolarHBondContact O-N 3.14Å
237	E	50.9	Low	52.1	Low	129 Å²	129	79.4 Å²	79.4	60%	0.603	43%	0.431	S	S	*	.	H	α-helix	trans	-54.6	-36	176	-176.2	167.9	-160	0	0	112	N241	E237-N241 WeakPolarHBondContact O-CB 3.28Å; E237-N241 VanDerWaalsContact O-CG 3.28Å; E237-N241 PolarHBondContact O-N 3.22Å; E237-N241 PolarHBondContact O-ND2 3.34Å
238	A	56.4	Low	51	Low	63 Å²	63	82.1 Å²	82.1	52%	0.521	44%	0.437	S	S	.	.	H	α-helix	trans	-62.6	-54.7	174.3	0	0	0	0	0	111.8	T236 L240 N241 E242	T236-A238 PolarHBondContact O-N 2.98Å; A238-L240 PolarHBondContact O-N 2.92Å; A238-N241 PolarHBondContact O-N 3.35Å; A238-N241 VanDerWaalsContact O-N 3.1Å; A238-E242 PolarHBondContact O-N 3.17Å
239	T	56.7	Low	50	Low	41 Å²	41	86.3 Å²	86.3	25%	0.252	47%	0.465	S	S	.	.	H	α-helix	trans	-62.4	-25	-179.3	47.7	0	0	0	0	114.1	T236 A243	T236-T239 PolarHBondContact N-OG1 2.63Å; T236-T239 PolarHBondContact O-N 3.1Å; T236-T239 VanDerWaalsContact O-N 3.13Å; T236-T239 PolarHBondContact O-OG1 2.68Å; T236-T239 PolarHBondContact OG1-N 2.84Å; T236-T239 PolarHBondContact OG1-OG1 3.11Å; T239-A243 WeakPolarHBondContact O-CB 3.41Å; T239-A243 PolarHBondContact O-N 3.43Å
240	L	53.8	Low	48.9	Very low	18 Å²	18	90.1 Å²	90.1	9%	0.094	48%	0.479	C	S	.	.	H	α-helix	trans	-80.6	-40	175.1	-71.9	158.9	0	0	0	111.4	Y221 L224 P235 T236 A238 A243 D244	Y221-L240 HydrophobicContact CD2-CD2 4.12Å; Y221-L240 HydrophobicContact CE2-CB 4.5Å; Y221-L240 HydrophobicContact CE2-CD1 3.65Å; Y221-L240 HydrophobicContact CE2-CD2 3.89Å; Y221-L240 HydrophobicContact CE2-CG 4.22Å; Y221-L240 WeakPolarHBondContact OH-CD1 3.32Å; L224-L240 HydrophobicContact CB-CD2 4.25Å; P235-L240 HydrophobicContact CB-CD1 4.07Å; P235-L240 HydrophobicContact CB-CG 4.4Å; T236-L240 WeakPolarHBondContact O-CG 3.29Å; T236-L240 PolarHBondContact O-N 3.14Å; A238-L240 PolarHBondContact O-N 2.92Å; L240-A243 PolarHBondContact O-N 2.83Å; L240-D244 PolarHBondContact O-N 2.81Å; L240-D244 VanDerWaalsContact O-N 3.13Å
241	N	56.2	Low	47.8	Very low	100 Å²	100	91.4 Å²	91.4	54%	0.535	48%	0.482	S	S	.	.	H	α-helix	trans	-68.3	-39	175.2	-74.8	-36.6	0	0	0	112.3	E237 A238 D244 A245	E237-N241 WeakPolarHBondContact O-CB 3.28Å; E237-N241 VanDerWaalsContact O-CG 3.28Å; E237-N241 PolarHBondContact O-N 3.22Å; E237-N241 PolarHBondContact O-ND2 3.34Å; A238-N241 PolarHBondContact O-N 3.35Å; A238-N241 VanDerWaalsContact O-N 3.1Å; N241-D244 PolarHBondContact O-N 3.3Å; N241-A245 WeakPolarHBondContact O-CB 3.45Å; N241-A245 PolarHBondContact O-N 3.37Å
242	E	55	Low	46.4	Very low	124 Å²	124	91.9 Å²	91.9	58%	0.579	49%	0.494	S	S	*	.	H	α-helix	trans	-62.1	-43.5	172.2	-73.5	-173.3	134.3	0	0	112	A238 D244 A245 L246	A238-E242 PolarHBondContact O-N 3.17Å; E242-D244 VanDerWaalsContact C-N 3.29Å; E242-D244 PolarHBondContact O-N 2.95Å; E242-A245 PolarHBondContact O-N 2.99Å; E242-L246 WeakPolarHBondContact O-CB 3.43Å; E242-L246 WeakPolarHBondContact O-CG 3.21Å; E242-L246 PolarHBondContact O-N 3.26Å
243	A	52.1	Low	45.8	Very low	18 Å²	18	94 Å²	94	15%	0.149	50%	0.504	C	S	.	.	H	α-helix	trans	-61.7	-36.4	177.9	0	0	0	0	0	112.1	L224 T239 L240 N247	L224-A243 HydrophobicContact CD1-CB 4Å; L224-A243 HydrophobicContact CD2-CB 4.03Å; T239-A243 WeakPolarHBondContact O-CB 3.41Å; T239-A243 PolarHBondContact O-N 3.43Å; L240-A243 PolarHBondContact O-N 2.83Å; A243-N247 PolarHBondContact O-ND2 3.47Å
244	D	50.3	Low	45	Very low	42 Å²	42	93.5 Å²	93.5	23%	0.225	52%	0.521	C	S	.	.	H	α-helix	trans	-78.7	-36	175.7	-156	54.1	0	0	0	112.3	R220 L240 N241 E242 N247 R248	R220-D244 IonicContact NH1-OD1 2.68Å; R220-D244 PolarHBondContact NH1-OD1 3.27Å; L240-D244 PolarHBondContact O-N 2.81Å; L240-D244 VanDerWaalsContact O-N 3.13Å; N241-D244 PolarHBondContact O-N 3.3Å; E242-D244 VanDerWaalsContact C-N 3.29Å; E242-D244 PolarHBondContact O-N 2.95Å; D244-N247 PolarHBondContact O-N 3.26Å; D244-N247 VanDerWaalsContact O-N 3.11Å; D244-R248 WeakPolarHBondContact O-CG 3.4Å; D244-R248 PolarHBondContact O-N 2.84Å; D244-R248 IonicContact OD2-CZ 3.85Å; D244-R248 IonicContact OD2-NE 2.72Å; D244-R248 PolarHBondContact OD2-NE 3.27Å; D244-R248 IonicContact OD2-NH2 3.19Å; D244-R248 PolarHBondContact OD2-NH2 3.48Å
245	A	44.9	Very low	44	Very low	52 Å²	52	98.2 Å²	98.2	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-60.5	-46.7	174.6	0	0	0	0	0	112.5	N241 E242 N247 R248 T249	N241-A245 WeakPolarHBondContact O-CB 3.45Å; N241-A245 PolarHBondContact O-N 3.37Å; E242-A245 PolarHBondContact O-N 2.99Å; A245-N247 PolarHBondContact O-N 3.21Å; A245-N247 VanDerWaalsContact O-N 3.16Å; A245-R248 PolarHBondContact O-N 3.04Å; A245-R248 VanDerWaalsContact O-N 3.14Å; A245-T249 PolarHBondContact O-N 3.26Å; A245-T249 PolarHBondContact O-OG1 3Å
246	L	42	Very low	43.2	Very low	119 Å²	119	100.7 Å²	100.7	62%	0.623	55%	0.553	S	S	*	*	H	α-helix	trans	-62	-18.4	174.8	-78.8	165.3	0	0	0	113.8	E242	E242-L246 WeakPolarHBondContact O-CB 3.43Å; E242-L246 WeakPolarHBondContact O-CG 3.21Å; E242-L246 PolarHBondContact O-N 3.26Å
247	N	38.8	Very low	42.1	Very low	66 Å²	66	101.3 Å²	101.3	35%	0.353	56%	0.56	S	S	.	*	H	α-helix	trans	-92.7	-30.3	174.6	-85.4	-76.3	0	0	0	113.1	R220 A243 D244 A245	R220-N247 VanDerWaalsContact NH2-CG 3.31Å; R220-N247 PolarHBondContact NH2-OD1 3.35Å; R220-N247 VanDerWaalsContact NH2-OD1 3.14Å; A243-N247 PolarHBondContact O-ND2 3.47Å; D244-N247 PolarHBondContact O-N 3.26Å; D244-N247 VanDerWaalsContact O-N 3.11Å; A245-N247 PolarHBondContact O-N 3.21Å; A245-N247 VanDerWaalsContact O-N 3.16Å
248	R	36.2	Very low	41.5	Very low	159 Å²	159	102.9 Å²	102.9	60%	0.6	57%	0.565	S	S	*	*	H	α-helix	trans	-73	-33.2	178.8	-70.2	178.2	-166.6	-165.1	10	113	D244 A245 R250	D244-R248 WeakPolarHBondContact O-CG 3.4Å; D244-R248 PolarHBondContact O-N 2.84Å; D244-R248 IonicContact OD2-CZ 3.85Å; D244-R248 IonicContact OD2-NE 2.72Å; D244-R248 PolarHBondContact OD2-NE 3.27Å; D244-R248 IonicContact OD2-NH2 3.19Å; D244-R248 PolarHBondContact OD2-NH2 3.48Å; A245-R248 PolarHBondContact O-N 3.04Å; A245-R248 VanDerWaalsContact O-N 3.14Å; R248-R250 PolarHBondContact O-N 2.89Å; R248-R250 VanDerWaalsContact O-N 3.15Å
249	T	37	Very low	40.6	Very low	113 Å²	113	102 Å²	102	69%	0.693	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-8.7	-179.5	49.9	0	0	0	0	114.8	A245	A245-T249 PolarHBondContact O-N 3.26Å; A245-T249 PolarHBondContact O-OG1 3Å
250	R	31.2	Very low	39.8	Very low	206 Å²	206	106.7 Å²	106.7	78%	0.777	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	8	-177.3	-68.7	-173.3	171.1	-154.4	-6.1	115.5	R248	R248-R250 PolarHBondContact O-N 2.89Å; R248-R250 VanDerWaalsContact O-N 3.15Å
251	F	29	Very low	39.2	Very low	186 Å²	186	110.8 Å²	110.8	82%	0.816	60%	0.596	S	S	*	*	S	Bend	trans	-127	12.3	-171	-89.5	-81.7	0	0	0	116.4
252	V	30.4	Very low	38.3	Very low	137 Å²	137	109.8 Å²	109.8	83%	0.83	59%	0.59	S	S	*	*			trans	-132.6	74.3	-177.7	-168.4	0	0	0	0	112.5
253	A	28.3	Very low	37.6	Very low	110 Å²	110	109 Å²	109	91%	0.909	58%	0.582	S	S	*	*			trans	-161.4	135.1	161.3	0	0	0	0	0	110
254	G	31.8	Very low	37.3	Very low	75 Å²	75	110.3 Å²	110.3	77%	0.773	59%	0.592	S	S	*	*			trans	134.5	66.7	175.1	0	0	0	0	0	115.5
255	K	31.4	Very low	36.8	Very low	217 Å²	217	110.7 Å²	110.7	94%	0.943	60%	0.602	S	S	*	*			trans	-76.7	126.3	161.5	-65	-177	178.8	-176	0	108.4
256	S	36.2	Very low	36.5	Very low	66 Å²	66	109.8 Å²	109.8	46%	0.462	59%	0.589	S	S	.	*			trans	-142.2	123.9	167.9	68.8	0	0	0	0	111.4	K258 L259	S256-K258 PolarHBondContact O-N 3.19Å; S256-K258 VanDerWaalsContact O-N 3.11Å; S256-L259 PolarHBondContact O-N 2.93Å; S256-L259 VanDerWaalsContact O-N 3.14Å
257	S	36.4	Very low	36.5	Very low	86 Å²	86	108.3 Å²	108.3	60%	0.601	58%	0.578	S	S	*	*	H	α-helix	trans	-62.3	-19	-176.2	47.7	0	0	0	0	114	L259 E260 V261	S257-L259 PolarHBondContact O-N 2.91Å; S257-E260 PolarHBondContact O-N 3.38Å; S257-V261 PolarHBondContact O-N 3.47Å
258	K	38.4	Very low	36.6	Very low	163 Å²	163	108.8 Å²	108.8	71%	0.709	58%	0.581	S	S	*	*	H	α-helix	trans	-65.2	-25.9	175.8	-63.5	-170.3	177	-174.4	0	113.1	S256 I262	S256-K258 PolarHBondContact O-N 3.19Å; S256-K258 VanDerWaalsContact O-N 3.11Å; K258-I262 WeakPolarHBondContact O-CG1 3.19Å; K258-I262 PolarHBondContact O-N 3.15Å; K258-I262 VanDerWaalsContact O-N 3.15Å
259	L	35.7	Very low	36.4	Very low	45 Å²	45	104 Å²	104	24%	0.236	57%	0.569	C	S	.	*	H	α-helix	trans	-74.6	-31.4	175.1	-74	163	0	0	0	112.3	S256 S257 I262 R263 P303	S256-L259 PolarHBondContact O-N 2.93Å; S256-L259 VanDerWaalsContact O-N 3.14Å; S257-L259 PolarHBondContact O-N 2.91Å; L259-I262 PolarHBondContact O-N 2.82Å; L259-R263 WeakPolarHBondContact O-CB 3.46Å; L259-R263 PolarHBondContact O-N 3.48Å; L259-P303 HydrophobicContact CD1-CB 4.17Å; L259-P303 HydrophobicContact CD1-CG 3.69Å; L259-P303 HydrophobicContact CD2-CB 4.33Å; L259-P303 HydrophobicContact CD2-CG 4.37Å
260	E	40.6	Very low	36.2	Very low	139 Å²	139	99.6 Å²	99.6	65%	0.65	54%	0.544	S	S	*	.	H	α-helix	trans	-71	-34.6	174.1	-69.2	163	139.3	0	0	111.1	S257 R263 A264	S257-E260 PolarHBondContact O-N 3.38Å; E260-R263 PolarHBondContact O-N 2.94Å; E260-A264 VanDerWaalsContact O-CB 3.29Å; E260-A264 WeakPolarHBondContact O-CB 3.27Å; E260-A264 PolarHBondContact O-N 2.84Å
261	V	40.9	Very low	36.4	Very low	103 Å²	103	93 Å²	93	62%	0.624	53%	0.534	S	S	*	.	H	α-helix	trans	-62.9	-45.3	170	177.2	0	0	0	0	111.6	S257 R263 A264 A265	S257-V261 PolarHBondContact O-N 3.47Å; V261-R263 VanDerWaalsContact C-N 3.35Å; V261-R263 PolarHBondContact O-N 3.11Å; V261-A264 PolarHBondContact O-N 3.37Å; V261-A265 WeakPolarHBondContact O-CB 3.41Å; V261-A265 PolarHBondContact O-N 2.97Å
262	I	38.1	Very low	36.8	Very low	80 Å²	80	93.5 Å²	93.5	41%	0.41	53%	0.531	S	S	.	.	H	α-helix	trans	-62.9	-42.9	176.5	-68	164.7	0	0	0	110.7	K258 L259 A265 M266	K258-I262 WeakPolarHBondContact O-CG1 3.19Å; K258-I262 PolarHBondContact O-N 3.15Å; K258-I262 VanDerWaalsContact O-N 3.15Å; L259-I262 PolarHBondContact O-N 2.82Å; I262-A265 PolarHBondContact O-N 3.01Å; I262-M266 HydrophobicContact CG2-SD 4.36Å; I262-M266 WeakPolarHBondContact O-CG 3.37Å; I262-M266 PolarHBondContact O-N 2.94Å
263	R	40.2	Very low	36.9	Very low	108 Å²	108	90.4 Å²	90.4	41%	0.408	51%	0.509	S	S	.	.	H	α-helix	trans	-59.1	-54	175.8	-172.4	-172	-160.5	137.6	23.2	111.7	L259 E260 V261 A265 M266 E267 N310	L259-R263 WeakPolarHBondContact O-CB 3.46Å; L259-R263 PolarHBondContact O-N 3.48Å; E260-R263 PolarHBondContact O-N 2.94Å; V261-R263 VanDerWaalsContact C-N 3.35Å; V261-R263 PolarHBondContact O-N 3.11Å; R263-A265 PolarHBondContact O-N 3.23Å; R263-M266 PolarHBondContact O-N 2.68Å; R263-M266 VanDerWaalsContact O-N 3.16Å; R263-E267 HydrophobicContact CG-CG 4.44Å; R263-E267 VanDerWaalsContact CG-OE1 3.26Å; R263-E267 WeakPolarHBondContact CG-OE1 3.25Å; R263-E267 IonicContact CZ-OE1 3.32Å; R263-E267 IonicContact NE-OE1 2.92Å; R263-E267 PolarHBondContact NE-OE1 3.06Å; R263-E267 IonicContact NE-OE2 3.32Å; R263-E267 WeakPolarHBondContact O-CB 3.36Å; R263-E267 WeakPolarHBondContact O-CG 3.34Å; R263-E267 PolarHBondContact O-N 3.04Å; R263-N310 PolarHBondContact NH2-ND2 3.27Å
264	A	45	Very low	37	Very low	44 Å²	44	89.5 Å²	89.5	36%	0.364	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-29.1	-179.3	0	0	0	0	0	112.7	E260 V261 N268	E260-A264 VanDerWaalsContact O-CB 3.29Å; E260-A264 WeakPolarHBondContact O-CB 3.27Å; E260-A264 PolarHBondContact O-N 2.84Å; V261-A264 PolarHBondContact O-N 3.37Å; A264-N268 VanDerWaalsContact O-CB 3.27Å; A264-N268 WeakPolarHBondContact O-CB 3.2Å; A264-N268 PolarHBondContact O-N 2.78Å; A264-N268 PolarHBondContact O-ND2 2.86Å
265	A	40.7	Very low	37	Very low	51 Å²	51	90.6 Å²	90.6	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-68.6	-49.5	171.3	0	0	0	0	0	111.7	V261 I262 R263 E267 N268 V269	V261-A265 WeakPolarHBondContact O-CB 3.41Å; V261-A265 PolarHBondContact O-N 2.97Å; I262-A265 PolarHBondContact O-N 3.01Å; R263-A265 PolarHBondContact O-N 3.23Å; A265-E267 VanDerWaalsContact C-N 3.33Å; A265-E267 PolarHBondContact O-N 3.13Å; A265-N268 PolarHBondContact O-N 2.71Å; A265-V269 WeakPolarHBondContact O-CB 3.18Å; A265-V269 VanDerWaalsContact O-CG2 3.25Å; A265-V269 WeakPolarHBondContact O-CG2 3.41Å; A265-V269 PolarHBondContact O-N 3.49Å
266	M	39.1	Very low	37	Very low	32 Å²	32	86.2 Å²	86.2	16%	0.158	48%	0.479	C	S	.	.	H	α-helix	trans	-61.8	-41.2	176.9	-67.5	-177.3	79.8	0	0	112	I262 R263 V269 A270 F311	I262-M266 HydrophobicContact CG2-SD 4.36Å; I262-M266 WeakPolarHBondContact O-CG 3.37Å; I262-M266 PolarHBondContact O-N 2.94Å; R263-M266 PolarHBondContact O-N 2.68Å; R263-M266 VanDerWaalsContact O-N 3.16Å; M266-V269 PolarHBondContact O-N 3.02Å; M266-A270 WeakPolarHBondContact O-CB 3.43Å; M266-A270 PolarHBondContact O-N 3.08Å; M266-F311 HydrophobicContact CE-CB 3.94Å; M266-F311 HydrophobicContact CE-CD2 4.36Å; M266-F311 HydrophobicContact CE-CG 4.18Å
267	E	41.3	Very low	36.7	Very low	88 Å²	88	85.2 Å²	85.2	41%	0.411	48%	0.479	S	S	.	.	H	α-helix	trans	-69.7	-39.1	178.8	-70.8	167.6	-179.6	0	0	111.6	R263 A265 A271 N310	R263-E267 HydrophobicContact CG-CG 4.44Å; R263-E267 VanDerWaalsContact CG-OE1 3.26Å; R263-E267 WeakPolarHBondContact CG-OE1 3.25Å; R263-E267 IonicContact CZ-OE1 3.32Å; R263-E267 IonicContact NE-OE1 2.92Å; R263-E267 PolarHBondContact NE-OE1 3.06Å; R263-E267 IonicContact NE-OE2 3.32Å; R263-E267 WeakPolarHBondContact O-CB 3.36Å; R263-E267 WeakPolarHBondContact O-CG 3.34Å; R263-E267 PolarHBondContact O-N 3.04Å; A265-E267 VanDerWaalsContact C-N 3.33Å; A265-E267 PolarHBondContact O-N 3.13Å; E267-A271 WeakPolarHBondContact O-CB 3.34Å; E267-A271 PolarHBondContact O-N 3.2Å; E267-A271 VanDerWaalsContact O-N 3.1Å; E267-N310 PolarHBondContact OE1-ND2 2.85Å
268	N	39.7	Very low	36.6	Very low	77 Å²	77	87.8 Å²	87.8	41%	0.412	48%	0.484	S	S	.	.	H	α-helix	trans	-67	-40.5	171.7	-92.7	-85.5	0	0	0	113.3	A264 A265 A271 R272	A264-N268 VanDerWaalsContact O-CB 3.27Å; A264-N268 WeakPolarHBondContact O-CB 3.2Å; A264-N268 PolarHBondContact O-N 2.78Å; A264-N268 PolarHBondContact O-ND2 2.86Å; A265-N268 PolarHBondContact O-N 2.71Å; N268-A271 PolarHBondContact O-N 3.04Å; N268-R272 WeakPolarHBondContact O-CB 3.37Å; N268-R272 VanDerWaalsContact O-CG 3.27Å; N268-R272 WeakPolarHBondContact O-CG 3.34Å; N268-R272 PolarHBondContact O-N 2.84Å; N268-R272 VanDerWaalsContact O-N 3.13Å
269	V	33.7	Very low	36.5	Very low	57 Å²	57	88.8 Å²	88.8	35%	0.345	49%	0.492	S	S	.	.	H	α-helix	trans	-67.4	-44.1	-179.3	169.4	0	0	0	0	110.3	A265 M266 A271 R272 I273 L331	A265-V269 WeakPolarHBondContact O-CB 3.18Å; A265-V269 VanDerWaalsContact O-CG2 3.25Å; A265-V269 WeakPolarHBondContact O-CG2 3.41Å; A265-V269 PolarHBondContact O-N 3.49Å; M266-V269 PolarHBondContact O-N 3.02Å; V269-A271 PolarHBondContact O-N 2.86Å; V269-R272 PolarHBondContact O-N 3.02Å; V269-R272 VanDerWaalsContact O-N 3.13Å; V269-I273 HydrophobicContact CG1-CD1 3.7Å; V269-I273 PolarHBondContact O-N 3.36Å; V269-L331 HydrophobicContact CG1-CD1 3.82Å
270	A	31.5	Very low	37	Very low	21 Å²	21	88.8 Å²	88.8	17%	0.174	49%	0.492	C	S	.	.	H	α-helix	trans	-65.8	-24.6	174.5	0	0	0	0	0	113.4	M266 V314 R318	M266-A270 WeakPolarHBondContact O-CB 3.43Å; M266-A270 PolarHBondContact O-N 3.08Å; A270-V314 HydrophobicContact CB-CG1 3.92Å; A270-R318 PolarHBondContact O-NH1 3.1Å; A270-R318 PolarHBondContact O-NH2 3.17Å
271	A	36.4	Very low	37.3	Very low	68 Å²	68	89.9 Å²	89.9	56%	0.562	49%	0.494	S	S	*	.	H	α-helix	trans	-77.5	-24	172.7	0	0	0	0	0	114.1	E267 N268 V269	E267-A271 WeakPolarHBondContact O-CB 3.34Å; E267-A271 PolarHBondContact O-N 3.2Å; E267-A271 VanDerWaalsContact O-N 3.1Å; N268-A271 PolarHBondContact O-N 3.04Å; V269-A271 PolarHBondContact O-N 2.86Å
272	R	37.1	Very low	37.6	Very low	197 Å²	197	93.2 Å²	93.2	74%	0.743	50%	0.503	S	S	*	.	H	α-helix	trans	-103.2	-12.2	-169.9	-72.2	176.4	-174	-150.9	0.6	116	N268 V269	N268-R272 WeakPolarHBondContact O-CB 3.37Å; N268-R272 VanDerWaalsContact O-CG 3.27Å; N268-R272 WeakPolarHBondContact O-CG 3.34Å; N268-R272 PolarHBondContact O-N 2.84Å; N268-R272 VanDerWaalsContact O-N 3.13Å; V269-R272 PolarHBondContact O-N 3.02Å; V269-R272 VanDerWaalsContact O-N 3.13Å
273	I	31.8	Very low	37.9	Very low	71 Å²	71	91.8 Å²	91.8	36%	0.364	50%	0.496	S	S	.	.			trans	-107.6	88.7	-176.6	-55.6	175.6	0	0	0	110.4	V269	V269-I273 HydrophobicContact CG1-CD1 3.7Å; V269-I273 PolarHBondContact O-N 3.36Å
274	V	29.9	Very low	38.3	Very low	92 Å²	92	87.2 Å²	87.2	56%	0.558	48%	0.481	S	S	*	.			trans	-149.7	106.7	165.3	-173	0	0	0	0	111.3
275	P	33.3	Very low	38.8	Very low	98 Å²	98	89.4 Å²	89.4	64%	0.636	49%	0.486	S	S	*	.			trans	-115.7	152.1	144.2	6.2	15	0	0	0	110.6
276	P	30.8	Very low	39.3	Very low	124 Å²	124	88.5 Å²	88.5	81%	0.805	48%	0.479	S	S	*	.			trans	-89.4	134.4	-177.4	33.9	-33.1	0	0	0	113.1
277	G	30.4	Very low	40	Very low	45 Å²	45	87.1 Å²	87.1	46%	0.464	47%	0.472	S	S	.	.			trans	158.1	126.8	164.7	0	0	0	0	0	116.8	S322	G277-S322 PolarHBondContact N-OG 3.36Å; G277-S322 WeakPolarHBondContact O-CB 3.28Å; G277-S322 PolarHBondContact O-OG 3.21Å
278	I	34.5	Very low	40.9	Very low	140 Å²	140	83.6 Å²	83.6	72%	0.718	46%	0.456	S	S	*	.			trans	84.1	153.7	162.4	-50	177.5	0	0	0	116.2	S322	I278-S322 WeakPolarHBondContact O-CB 3.38Å
279	Q	36.5	Very low	41.8	Very low	184 Å²	184	84.2 Å²	84.2	86%	0.86	46%	0.459	S	S	*	.			trans	-94.4	105.1	-155.5	-58.1	174.4	7.2	0	0	113.1
280	I	45.6	Very low	43.2	Very low	46 Å²	46	82.1 Å²	82.1	24%	0.236	44%	0.444	C	S	.	.			trans	-128.3	41.9	173.7	-40.5	-177.9	0	0	0	111.2	E282 L283 S284 A325	I280-E282 PolarHBondContact O-N 2.89Å; I280-L283 HydrophobicContact CG2-CB 3.75Å; I280-S284 VanDerWaalsContact O-CB 3.27Å; I280-S284 WeakPolarHBondContact O-CB 3.33Å; I280-S284 PolarHBondContact O-N 3.43Å; I280-S284 VanDerWaalsContact O-N 3.08Å; I280-S284 PolarHBondContact O-OG 3.14Å; I280-A325 HydrophobicContact CD1-CB 4.46Å; I280-A325 HydrophobicContact CG2-CB 4.31Å
281	K	47.3	Very low	44.5	Very low	161 Å²	161	81.2 Å²	81.2	70%	0.7	44%	0.437	S	S	*	.	H	α-helix	trans	-63.2	-38.8	-176.9	-79.9	-174.2	174	-179.9	0	113.5	S284 N285	K281-S284 WeakPolarHBondContact CA-OG 3.43Å; K281-S284 PolarHBondContact O-OG 3.13Å; K281-S284 VanDerWaalsContact O-OG 3.13Å; K281-N285 VanDerWaalsContact O-CB 3.24Å; K281-N285 WeakPolarHBondContact O-CB 3.36Å; K281-N285 PolarHBondContact O-N 3.38Å; K281-N285 PolarHBondContact O-ND2 3.43Å
282	E	45.9	Very low	45.8	Very low	174 Å²	174	79.8 Å²	79.8	81%	0.813	42%	0.418	S	S	*	.	H	α-helix	trans	-72.4	-47.5	-177.1	-62.2	-170.8	165.8	0	0	112.5	I280 N285 A286	I280-E282 PolarHBondContact O-N 2.89Å; E282-N285 PolarHBondContact O-N 3.16Å; E282-A286 WeakPolarHBondContact O-CB 3.45Å; E282-A286 PolarHBondContact O-N 3.29Å
283	L	44.6	Very low	47	Very low	49 Å²	49	77.8 Å²	77.8	26%	0.257	41%	0.411	S	S	.	.	H	α-helix	trans	-72.3	-34.7	179.8	-148.8	85	0	0	0	112.5	I280 A286 I287 A325 L329 A427	I280-L283 HydrophobicContact CG2-CB 3.75Å; L283-A286 PolarHBondContact O-N 3.27Å; L283-I287 HydrophobicContact CD2-CD1 4.19Å; L283-I287 HydrophobicContact CG-CD1 4.31Å; L283-I287 WeakPolarHBondContact O-CD1 3.47Å; L283-I287 VanDerWaalsContact O-CG1 3.24Å; L283-I287 WeakPolarHBondContact O-CG1 3.05Å; L283-I287 PolarHBondContact O-N 3.15Å; L283-A325 HydrophobicContact CD2-CB 3.34Å; L283-L329 HydrophobicContact CD2-CD1 4.23Å; L283-A427 HydrophobicContact CD2-CB 4.38Å
284	S	50	Low	48.3	Very low	13 Å²	13	74.4 Å²	74.4	9%	0.091	39%	0.394	C	S	.	.	H	α-helix	trans	-63.8	-40.8	171.9	57.7	0	0	0	0	111.6	I280 K281 I287 L288	I280-S284 VanDerWaalsContact O-CB 3.27Å; I280-S284 WeakPolarHBondContact O-CB 3.33Å; I280-S284 PolarHBondContact O-N 3.43Å; I280-S284 VanDerWaalsContact O-N 3.08Å; I280-S284 PolarHBondContact O-OG 3.14Å; K281-S284 WeakPolarHBondContact CA-OG 3.43Å; K281-S284 PolarHBondContact O-OG 3.13Å; K281-S284 VanDerWaalsContact O-OG 3.13Å; S284-I287 PolarHBondContact O-N 3.48Å; S284-L288 WeakPolarHBondContact O-CB 3.31Å; S284-L288 WeakPolarHBondContact O-CG 3.46Å; S284-L288 PolarHBondContact O-N 2.69Å
285	N	55.1	Low	49.6	Very low	90 Å²	90	71 Å²	71	48%	0.481	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-41.9	170.5	-80.6	-25.9	0	0	0	112.4	K281 E282 I287 L288 L289	K281-N285 VanDerWaalsContact O-CB 3.24Å; K281-N285 WeakPolarHBondContact O-CB 3.36Å; K281-N285 PolarHBondContact O-N 3.38Å; K281-N285 PolarHBondContact O-ND2 3.43Å; E282-N285 PolarHBondContact O-N 3.16Å; N285-I287 PolarHBondContact O-N 3.14Å; N285-L288 PolarHBondContact O-N 3.26Å; N285-L289 WeakPolarHBondContact O-CB 3.23Å; N285-L289 VanDerWaalsContact O-CG 3.26Å; N285-L289 WeakPolarHBondContact O-CG 3.26Å; N285-L289 PolarHBondContact O-N 3.42Å
286	A	51.4	Low	50.9	Low	32 Å²	32	72.2 Å²	72.2	26%	0.264	37%	0.37	S	S	.	.	H	α-helix	trans	-61.1	-43.8	175.9	0	0	0	0	0	111.7	E282 L283 L289 R290	E282-A286 WeakPolarHBondContact O-CB 3.45Å; E282-A286 PolarHBondContact O-N 3.29Å; L283-A286 PolarHBondContact O-N 3.27Å; A286-L289 PolarHBondContact O-N 2.91Å; A286-R290 WeakPolarHBondContact O-CB 3.48Å; A286-R290 PolarHBondContact O-N 2.85Å
287	I	53.4	Low	52.3	Low	3 Å²	3	67.3 Å²	67.3	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-70	-38.6	177.5	-62.3	161.3	0	0	0	111.1	L283 S284 N285 R290 V291 L328 L329 M332	L283-I287 HydrophobicContact CD2-CD1 4.19Å; L283-I287 HydrophobicContact CG-CD1 4.31Å; L283-I287 WeakPolarHBondContact O-CD1 3.47Å; L283-I287 VanDerWaalsContact O-CG1 3.24Å; L283-I287 WeakPolarHBondContact O-CG1 3.05Å; L283-I287 PolarHBondContact O-N 3.15Å; S284-I287 PolarHBondContact O-N 3.48Å; N285-I287 PolarHBondContact O-N 3.14Å; I287-R290 WeakPolarHBondContact O-CB 3.32Å; I287-R290 PolarHBondContact O-N 2.85Å; I287-V291 HydrophobicContact CG2-CG2 4.34Å; I287-V291 WeakPolarHBondContact O-CG2 3.43Å; I287-V291 PolarHBondContact O-N 2.77Å; I287-L328 HydrophobicContact CD1-CB 3.82Å; I287-L328 HydrophobicContact CD1-CD1 4.37Å; I287-L328 HydrophobicContact CG2-CB 4.25Å; I287-L329 HydrophobicContact CD1-CD2 3.96Å; I287-L329 HydrophobicContact CD1-CG 3.82Å; I287-L329 HydrophobicContact CG1-CD2 3.99Å; I287-L329 HydrophobicContact CG1-CG 4.42Å; I287-M332 HydrophobicContact CG2-CE 4.32Å
288	L	59.3	Low	53.2	Low	14 Å²	14	69.3 Å²	69.3	7%	0.073	34%	0.337	C	S	.	.	H	α-helix	trans	-58.6	-50.2	171.9	-86.7	172.1	0	0	0	111.9	S284 N285 R290 V291 E292 A312 V315 K316	S284-L288 WeakPolarHBondContact O-CB 3.31Å; S284-L288 WeakPolarHBondContact O-CG 3.46Å; S284-L288 PolarHBondContact O-N 2.69Å; N285-L288 PolarHBondContact O-N 3.26Å; L288-R290 PolarHBondContact O-N 3.43Å; L288-V291 PolarHBondContact O-N 3Å; L288-E292 WeakPolarHBondContact O-CB 3.35Å; L288-E292 PolarHBondContact O-N 3.11Å; L288-A312 HydrophobicContact CD2-CB 4.3Å; L288-V315 HydrophobicContact CD1-CG1 4.13Å; L288-V315 HydrophobicContact CD2-CB 3.72Å; L288-V315 HydrophobicContact CD2-CG1 3.56Å; L288-V315 HydrophobicContact CG-CB 4.48Å; L288-V315 HydrophobicContact CG-CG1 3.77Å; L288-K316 HydrophobicContact CD1-CG 3.95Å; L288-K316 HydrophobicContact CD2-CG 3.94Å
289	L	60.2	Low	54.1	Low	90 Å²	90	67.8 Å²	67.8	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-33.2	175.5	-73.7	167.5	0	0	0	111.8	N285 A286 R293	N285-L289 WeakPolarHBondContact O-CB 3.23Å; N285-L289 VanDerWaalsContact O-CG 3.26Å; N285-L289 WeakPolarHBondContact O-CG 3.26Å; N285-L289 PolarHBondContact O-N 3.42Å; A286-L289 PolarHBondContact O-N 2.91Å; L289-R293 WeakPolarHBondContact O-CB 3.41Å; L289-R293 WeakPolarHBondContact O-CG 3.46Å; L289-R293 PolarHBondContact O-N 3.44Å
290	R	61.5	Low	55	Low	12 Å²	12	59.9 Å²	59.9	5%	0.045	29%	0.29	C	S	.	.	H	α-helix	trans	-74.1	-46	179.2	-165.8	170.5	-173.4	67.1	39.1	112.5	A286 I287 L288 E292 R293 I294 M332 H416 E419 S420	A286-R290 WeakPolarHBondContact O-CB 3.48Å; A286-R290 PolarHBondContact O-N 2.85Å; I287-R290 WeakPolarHBondContact O-CB 3.32Å; I287-R290 PolarHBondContact O-N 2.85Å; L288-R290 PolarHBondContact O-N 3.43Å; R290-E292 VanDerWaalsContact C-N 3.3Å; R290-E292 PolarHBondContact O-N 3.15Å; R290-R293 WeakPolarHBondContact O-CB 3.41Å; R290-R293 PolarHBondContact O-N 2.93Å; R290-I294 VanDerWaalsContact O-CG1 3.31Å; R290-I294 WeakPolarHBondContact O-CG1 3.34Å; R290-I294 PolarHBondContact O-N 3.02Å; R290-M332 HydrophobicContact CB-SD 4.33Å; R290-M332 HydrophobicContact CG-CE 4.45Å; R290-M332 HydrophobicContact CG-SD 3.75Å; R290-H416 VanDerWaalsContact NH2-CA 3.3Å; R290-H416 PolarHBondContact NH2-O 2.88Å; R290-E419 IonicContact CZ-OE2 3.3Å; R290-E419 IonicContact NH1-OE2 3.53Å; R290-E419 PolarHBondContact NH1-OE2 3.29Å; R290-E419 IonicContact NH2-OE2 2.83Å; R290-E419 PolarHBondContact NH2-OE2 3.46Å; R290-S420 PolarHBondContact NE-OG 3.42Å
291	V	59.8	Low	55.7	Low	2 Å²	2	60.2 Å²	60.2	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-43.1	169.7	169.7	0	0	0	0	110.5	I287 L288 I294 A295 F308 F311 A312	I287-V291 HydrophobicContact CG2-CG2 4.34Å; I287-V291 WeakPolarHBondContact O-CG2 3.43Å; I287-V291 PolarHBondContact O-N 2.77Å; L288-V291 PolarHBondContact O-N 3Å; V291-I294 PolarHBondContact O-N 3.35Å; V291-A295 PolarHBondContact O-N 3.29Å; V291-F308 HydrophobicContact CG1-CB 4.13Å; V291-F308 HydrophobicContact CG1-CD1 4.18Å; V291-F308 VanDerWaalsContact CG1-O 3.24Å; V291-F308 WeakPolarHBondContact CG1-O 3.33Å; V291-F311 HydrophobicContact CG1-CD1 3.96Å; V291-F311 HydrophobicContact CG2-CD1 3.89Å; V291-F311 HydrophobicContact CG2-CE1 3.95Å; V291-A312 HydrophobicContact CG1-CB 3.88Å
292	E	62.5	Low	56.3	Low	38 Å²	38	59.8 Å²	59.8	18%	0.178	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-44.8	173.8	-82.8	-168.7	-148.2	0	0	112.7	L288 R290 I294 A295 K296 A312 K316	L288-E292 WeakPolarHBondContact O-CB 3.35Å; L288-E292 PolarHBondContact O-N 3.11Å; R290-E292 VanDerWaalsContact C-N 3.3Å; R290-E292 PolarHBondContact O-N 3.15Å; E292-I294 VanDerWaalsContact C-N 3.26Å; E292-I294 PolarHBondContact O-N 2.77Å; E292-A295 PolarHBondContact O-N 2.96Å; E292-K296 HydrophobicContact CB-CD 4.48Å; E292-K296 VanDerWaalsContact O-CB 3.26Å; E292-K296 WeakPolarHBondContact O-CB 3.21Å; E292-K296 VanDerWaalsContact O-CD 3.3Å; E292-K296 WeakPolarHBondContact O-CD 3.28Å; E292-K296 WeakPolarHBondContact O-CG 3.21Å; E292-K296 PolarHBondContact O-N 3.09Å; E292-K296 IonicContact OE2-NZ 2.76Å; E292-K296 PolarHBondContact OE2-NZ 2.96Å; E292-A312 HydrophobicContact CG-CB 4.41Å; E292-K316 WeakPolarHBondContact OE1-CE 3.47Å; E292-K316 IonicContact OE1-NZ 2.7Å; E292-K316 PolarHBondContact OE1-NZ 3.35Å
293	R	63.7	Low	56.7	Low	156 Å²	156	53.8 Å²	53.8	59%	0.589	27%	0.271	S	S	*	.	H	α-helix	trans	-58.2	-40.9	175.2	-76.2	165.2	-171.8	-163.8	4	110.7	L289 R290 K296 I297	L289-R293 WeakPolarHBondContact O-CB 3.41Å; L289-R293 WeakPolarHBondContact O-CG 3.46Å; L289-R293 PolarHBondContact O-N 3.44Å; R290-R293 WeakPolarHBondContact O-CB 3.41Å; R290-R293 PolarHBondContact O-N 2.93Å; R293-K296 CarbonylContact O-C 3.21Å; R293-K296 PolarHBondContact O-N 2.88Å; R293-I297 PolarHBondContact O-N 2.93Å; R293-I297 VanDerWaalsContact O-N 3.15Å
294	I	57.9	Low	57.2	Low	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-48.5	174.7	-66.8	161.6	0	0	0	111.1	R290 V291 E292 K296 I297 L300 F308 M332 L336 H416	R290-I294 VanDerWaalsContact O-CG1 3.31Å; R290-I294 WeakPolarHBondContact O-CG1 3.34Å; R290-I294 PolarHBondContact O-N 3.02Å; V291-I294 PolarHBondContact O-N 3.35Å; E292-I294 VanDerWaalsContact C-N 3.26Å; E292-I294 PolarHBondContact O-N 2.77Å; I294-K296 PolarHBondContact O-N 3.14Å; I294-I297 HydrophobicContact CB-CD1 4.43Å; I294-I297 HydrophobicContact CG1-CD1 4.5Å; I294-I297 HydrophobicContact CG2-CD1 4.33Å; I294-I297 WeakPolarHBondContact O-CB 3.49Å; I294-I297 VanDerWaalsContact O-CG1 3.32Å; I294-I297 WeakPolarHBondContact O-CG1 3.29Å; I294-I297 PolarHBondContact O-N 3.46Å; I294-L300 HydrophobicContact CG2-CD1 4.06Å; I294-L300 WeakPolarHBondContact O-CD1 3.45Å; I294-F308 HydrophobicContact CG2-CD1 4.31Å; I294-F308 HydrophobicContact CG2-CD2 3.71Å; I294-F308 HydrophobicContact CG2-CE1 4.14Å; I294-F308 HydrophobicContact CG2-CE2 3.51Å; I294-F308 HydrophobicContact CG2-CG 4.11Å; I294-F308 HydrophobicContact CG2-CZ 3.74Å; I294-M332 HydrophobicContact CD1-CG 4.32Å; I294-M332 HydrophobicContact CD1-SD 4.12Å; I294-L336 HydrophobicContact CD1-CD1 4.46Å; I294-L336 HydrophobicContact CD1-CD2 4.13Å; I294-H416 HydrophobicContact CD1-CB 4.48Å
295	A	58.8	Low	57.8	Low	19 Å²	19	54.7 Å²	54.7	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-33.8	175.5	0	0	0	0	0	112.7	V291 E292 I297 F308	V291-A295 PolarHBondContact O-N 3.29Å; E292-A295 PolarHBondContact O-N 2.96Å; A295-I297 VanDerWaalsContact C-N 3.26Å; A295-I297 PolarHBondContact O-N 3.33Å; A295-F308 HydrophobicContact CB-CB 3.9Å
296	K	60.6	Low	58.1	Low	124 Å²	124	53 Å²	53	54%	0.539	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.8	173.7	-68.7	160.9	-176.4	169.5	0	113.2	E292 R293 I294 D298	E292-K296 HydrophobicContact CB-CD 4.48Å; E292-K296 VanDerWaalsContact O-CB 3.26Å; E292-K296 WeakPolarHBondContact O-CB 3.21Å; E292-K296 VanDerWaalsContact O-CD 3.3Å; E292-K296 WeakPolarHBondContact O-CD 3.28Å; E292-K296 WeakPolarHBondContact O-CG 3.21Å; E292-K296 PolarHBondContact O-N 3.09Å; E292-K296 IonicContact OE2-NZ 2.76Å; E292-K296 PolarHBondContact OE2-NZ 2.96Å; R293-K296 CarbonylContact O-C 3.21Å; R293-K296 PolarHBondContact O-N 2.88Å; I294-K296 PolarHBondContact O-N 3.14Å; K296-D298 PolarHBondContact O-N 3.41Å
297	I	60.3	Low	58.4	Low	22 Å²	22	52.6 Å²	52.6	11%	0.113	26%	0.258	C	S	.	.			trans	-62.1	110.4	170.3	-66.5	171	0	0	0	108.4	R293 I294 A295 Q299 L300 K305 L413	R293-I297 PolarHBondContact O-N 2.93Å; R293-I297 VanDerWaalsContact O-N 3.15Å; I294-I297 HydrophobicContact CB-CD1 4.43Å; I294-I297 HydrophobicContact CG1-CD1 4.5Å; I294-I297 HydrophobicContact CG2-CD1 4.33Å; I294-I297 WeakPolarHBondContact O-CB 3.49Å; I294-I297 VanDerWaalsContact O-CG1 3.32Å; I294-I297 WeakPolarHBondContact O-CG1 3.29Å; I294-I297 PolarHBondContact O-N 3.46Å; A295-I297 VanDerWaalsContact C-N 3.26Å; A295-I297 PolarHBondContact O-N 3.33Å; I297-Q299 PolarHBondContact O-N 2.77Å; I297-L300 HydrophobicContact CB-CD1 4.21Å; I297-L300 HydrophobicContact CB-CG 4.09Å; I297-L300 HydrophobicContact CG2-CG 4.14Å; I297-L300 PolarHBondContact O-N 2.85Å; I297-K305 WeakPolarHBondContact O-CE 3.45Å; I297-K305 PolarHBondContact O-NZ 3.45Å; I297-L413 HydrophobicContact CD1-CD2 4.34Å
298	D	47.9	Very low	58.7	Low	86 Å²	86	52.9 Å²	52.9	46%	0.46	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.9	-160.2	-147.2	9.3	0	0	0	113.8	R216 K296 K305	R216-D298 IonicContact CZ-OD1 3.37Å; R216-D298 IonicContact CZ-OD2 3.42Å; R216-D298 IonicContact NE-OD2 3.34Å; R216-D298 IonicContact NH2-OD1 3.37Å; R216-D298 PolarHBondContact NH2-OD1 3.35Å; R216-D298 IonicContact NH2-OD2 2.67Å; R216-D298 PolarHBondContact NH2-OD2 2.8Å; K296-D298 PolarHBondContact O-N 3.41Å; D298-K305 PolarHBondContact O-NZ 3.02Å; D298-K305 IonicContact OD1-NZ 3.33Å
299	Q	54.2	Low	58.9	Low	108 Å²	108	54.5 Å²	54.5	51%	0.505	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	10.4	-172.3	-45.4	-178.5	10.9	0	0	115.3	I297 K409	I297-Q299 PolarHBondContact O-N 2.77Å; Q299-K409 HydrophobicContact CB-CD 4.14Å; Q299-K409 VanDerWaalsContact CB-CE 3.48Å; Q299-K409 HydrophobicContact CB-CG 4.33Å; Q299-K409 PolarHBondContact O-NZ 3.01Å
300	L	54.8	Low	59	Low	19 Å²	19	52.5 Å²	52.5	10%	0.099	26%	0.261	C	S	.	.	S	Bend	trans	-67.7	154.9	165.6	-74.2	179.1	0	0	0	111	I294 I297 M304 K305 F308	I294-L300 HydrophobicContact CG2-CD1 4.06Å; I294-L300 WeakPolarHBondContact O-CD1 3.45Å; I297-L300 HydrophobicContact CB-CD1 4.21Å; I297-L300 HydrophobicContact CB-CG 4.09Å; I297-L300 HydrophobicContact CG2-CG 4.14Å; I297-L300 PolarHBondContact O-N 2.85Å; L300-M304 HydrophobicContact CB-CB 4.47Å; L300-M304 HydrophobicContact CD2-SD 4.26Å; L300-K305 HydrophobicContact CB-CG 3.79Å; L300-K305 WeakPolarHBondContact O-CE 3.28Å; L300-F308 HydrophobicContact CD1-CD2 4.26Å; L300-F308 HydrophobicContact CD1-CE2 4.32Å
301	S	60.2	Low	58.9	Low	52 Å²	52	53 Å²	53	36%	0.364	26%	0.264	S	S	.	.			trans	-66.6	150.3	173.2	70.5	0	0	0	0	110.4	M304 K305	S301-M304 PolarHBondContact O-N 2.99Å; S301-M304 VanDerWaalsContact O-N 3.13Å; S301-M304 VanDerWaalsContact OG-CG 3.3Å; S301-M304 WeakPolarHBondContact OG-CG 3.33Å; S301-M304 PolarHBondContact OG-N 3.33Å; S301-K305 PolarHBondContact O-N 3.3Å
302	K	60.3	Low	59	Low	152 Å²	152	53.3 Å²	53.3	66%	0.661	27%	0.267	S	S	*	.	H	α-helix	trans	-51.3	-52.6	178	-170.3	-174.5	174.8	-170.9	0	112.6	M304 K305 D306	K302-M304 VanDerWaalsContact C-N 3.28Å; K302-M304 PolarHBondContact O-N 3.43Å; K302-K305 CarbonylContact O-C 3.59Å; K302-K305 WeakPolarHBondContact O-CA 3.22Å; K302-K305 WeakPolarHBondContact O-CB 3.48Å; K302-K305 PolarHBondContact O-N 3Å; K302-D306 WeakPolarHBondContact CE-OD1 3.37Å; K302-D306 VanDerWaalsContact CE-OD2 3.28Å; K302-D306 WeakPolarHBondContact CE-OD2 3.16Å; K302-D306 PolarHBondContact O-N 3.49Å
303	P	54.8	Low	59	Low	49 Å²	49	57 Å²	57	32%	0.318	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-30.1	-179.8	21.7	-32.6	0	0	0	114	L259 S307	L259-P303 HydrophobicContact CD1-CB 4.17Å; L259-P303 HydrophobicContact CD1-CG 3.69Å; L259-P303 HydrophobicContact CD2-CB 4.33Å; L259-P303 HydrophobicContact CD2-CG 4.37Å; P303-S307 WeakPolarHBondContact O-CB 3.49Å; P303-S307 PolarHBondContact O-N 2.57Å; P303-S307 PolarHBondContact O-OG 3.05Å
304	M	55.3	Low	58.7	Low	29 Å²	29	52 Å²	52	14%	0.143	27%	0.271	C	S	.	.	H	α-helix	trans	-69.2	-40.4	171.5	-73	173.4	173.5	0	0	112.2	L300 S301 K302 S307 F308 I339 E342	L300-M304 HydrophobicContact CB-CB 4.47Å; L300-M304 HydrophobicContact CD2-SD 4.26Å; S301-M304 PolarHBondContact O-N 2.99Å; S301-M304 VanDerWaalsContact O-N 3.13Å; S301-M304 VanDerWaalsContact OG-CG 3.3Å; S301-M304 WeakPolarHBondContact OG-CG 3.33Å; S301-M304 PolarHBondContact OG-N 3.33Å; K302-M304 VanDerWaalsContact C-N 3.28Å; K302-M304 PolarHBondContact O-N 3.43Å; M304-S307 PolarHBondContact O-N 3.06Å; M304-F308 VanDerWaalsContact O-CD2 3.22Å; M304-F308 WeakPolarHBondContact O-CD2 3.5Å; M304-F308 PolarHBondContact O-N 3.19Å; M304-I339 HydrophobicContact CE-CG1 3.98Å; M304-I339 HydrophobicContact CE-CG2 4.3Å; M304-I339 HydrophobicContact SD-CD1 4.46Å; M304-I339 HydrophobicContact SD-CG1 4.23Å; M304-I339 HydrophobicContact SD-CG2 4.25Å; M304-E342 WeakPolarHBondContact CE-OE2 3.33Å
305	K	61.7	Low	58.8	Low	52 Å²	52	53 Å²	53	23%	0.226	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-43.6	173.4	-65.4	-171.8	-179	-174.9	0	111.2	I297 D298 L300 S301 K302 S307 F308 S309	I297-K305 WeakPolarHBondContact O-CE 3.45Å; I297-K305 PolarHBondContact O-NZ 3.45Å; D298-K305 PolarHBondContact O-NZ 3.02Å; D298-K305 IonicContact OD1-NZ 3.33Å; L300-K305 HydrophobicContact CB-CG 3.79Å; L300-K305 WeakPolarHBondContact O-CE 3.28Å; S301-K305 PolarHBondContact O-N 3.3Å; K302-K305 CarbonylContact O-C 3.59Å; K302-K305 WeakPolarHBondContact O-CA 3.22Å; K302-K305 WeakPolarHBondContact O-CB 3.48Å; K302-K305 PolarHBondContact O-N 3Å; K305-S307 VanDerWaalsContact C-N 3.34Å; K305-S307 PolarHBondContact O-N 3.27Å; K305-F308 PolarHBondContact O-N 3.37Å; K305-S309 WeakPolarHBondContact O-CB 3.35Å; K305-S309 PolarHBondContact O-N 3.14Å
306	D	62	Low	58.9	Low	54 Å²	54	58 Å²	58	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-61	-42.3	176.2	-61.8	-9.5	0	0	0	110.2	K302 S309 N310	K302-D306 WeakPolarHBondContact CE-OD1 3.37Å; K302-D306 VanDerWaalsContact CE-OD2 3.28Å; K302-D306 WeakPolarHBondContact CE-OD2 3.16Å; K302-D306 PolarHBondContact O-N 3.49Å; D306-S309 PolarHBondContact O-N 3.05Å; D306-N310 VanDerWaalsContact O-CB 3.27Å; D306-N310 WeakPolarHBondContact O-CB 3.41Å; D306-N310 PolarHBondContact O-N 2.79Å; D306-N310 PolarHBondContact O-OD1 3.45Å
307	S	57.1	Low	58.7	Low	23 Å²	23	56.3 Å²	56.3	16%	0.161	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-49.4	174.3	-73.9	0	0	0	0	113.7	P303 M304 K305 S309 N310 F311	P303-S307 WeakPolarHBondContact O-CB 3.49Å; P303-S307 PolarHBondContact O-N 2.57Å; P303-S307 PolarHBondContact O-OG 3.05Å; M304-S307 PolarHBondContact O-N 3.06Å; K305-S307 VanDerWaalsContact C-N 3.34Å; K305-S307 PolarHBondContact O-N 3.27Å; S307-S309 VanDerWaalsContact C-N 3.32Å; S307-S309 PolarHBondContact O-N 2.95Å; S307-N310 PolarHBondContact O-N 3.01Å; S307-F311 WeakPolarHBondContact O-CB 3.34Å; S307-F311 PolarHBondContact O-N 3.15Å
308	F	60.4	Low	58.3	Low	9 Å²	9	59.9 Å²	59.9	4%	0.039	31%	0.311	C	S	.	.	H	α-helix	trans	-67.6	-33.3	177.2	-74.3	-64.3	0	0	0	112.2	V291 I294 A295 L300 M304 K305 A312 C335 I339	V291-F308 HydrophobicContact CG1-CB 4.13Å; V291-F308 HydrophobicContact CG1-CD1 4.18Å; V291-F308 VanDerWaalsContact CG1-O 3.24Å; V291-F308 WeakPolarHBondContact CG1-O 3.33Å; I294-F308 HydrophobicContact CG2-CD1 4.31Å; I294-F308 HydrophobicContact CG2-CD2 3.71Å; I294-F308 HydrophobicContact CG2-CE1 4.14Å; I294-F308 HydrophobicContact CG2-CE2 3.51Å; I294-F308 HydrophobicContact CG2-CG 4.11Å; I294-F308 HydrophobicContact CG2-CZ 3.74Å; A295-F308 HydrophobicContact CB-CB 3.9Å; L300-F308 HydrophobicContact CD1-CD2 4.26Å; L300-F308 HydrophobicContact CD1-CE2 4.32Å; M304-F308 VanDerWaalsContact O-CD2 3.22Å; M304-F308 WeakPolarHBondContact O-CD2 3.5Å; M304-F308 PolarHBondContact O-N 3.19Å; K305-F308 PolarHBondContact O-N 3.37Å; F308-A312 WeakPolarHBondContact O-CB 3.3Å; F308-A312 PolarHBondContact O-N 2.88Å; F308-C335 HydrophobicContact CE1-CB 4.09Å; F308-C335 HydrophobicContact CZ-CB 4.07Å; F308-I339 HydrophobicContact CE2-CD1 3.56Å; F308-I339 HydrophobicContact CZ-CD1 3.66Å
309	S	62.4	Low	58.2	Low	49 Å²	49	60.8 Å²	60.8	34%	0.343	32%	0.324	S	S	.	.	H	α-helix	trans	-69.1	-43.4	174.8	-171.2	0	0	0	0	111.8	K305 D306 S307 F311 A312 Q313	K305-S309 WeakPolarHBondContact O-CB 3.35Å; K305-S309 PolarHBondContact O-N 3.14Å; D306-S309 PolarHBondContact O-N 3.05Å; S307-S309 VanDerWaalsContact C-N 3.32Å; S307-S309 PolarHBondContact O-N 2.95Å; S309-F311 VanDerWaalsContact C-N 3.34Å; S309-A312 PolarHBondContact O-N 3.32Å; S309-Q313 WeakPolarHBondContact O-CB 3.31Å; S309-Q313 VanDerWaalsContact O-CG 3.29Å; S309-Q313 WeakPolarHBondContact O-CG 3.28Å; S309-Q313 PolarHBondContact O-N 2.89Å
310	N	62.2	Low	57.9	Low	47 Å²	47	61.5 Å²	61.5	25%	0.251	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-42.9	173.6	-82.6	25.2	0	0	0	110.5	R263 E267 D306 S307 Q313 V314	R263-N310 PolarHBondContact NH2-ND2 3.27Å; E267-N310 PolarHBondContact OE1-ND2 2.85Å; D306-N310 VanDerWaalsContact O-CB 3.27Å; D306-N310 WeakPolarHBondContact O-CB 3.41Å; D306-N310 PolarHBondContact O-N 2.79Å; D306-N310 PolarHBondContact O-OD1 3.45Å; S307-N310 PolarHBondContact O-N 3.01Å; N310-Q313 PolarHBondContact O-N 3.33Å; N310-V314 WeakPolarHBondContact O-CG2 3.42Å; N310-V314 PolarHBondContact O-N 3.45Å
311	F	59.9	Low	57.5	Low	24 Å²	24	62.1 Å²	62.1	11%	0.105	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-48.5	175.3	-174.4	-114.2	0	0	0	111.8	M266 V291 S307 S309 Q313 V314 V315 L328 L331	M266-F311 HydrophobicContact CE-CB 3.94Å; M266-F311 HydrophobicContact CE-CD2 4.36Å; M266-F311 HydrophobicContact CE-CG 4.18Å; V291-F311 HydrophobicContact CG1-CD1 3.96Å; V291-F311 HydrophobicContact CG2-CD1 3.89Å; V291-F311 HydrophobicContact CG2-CE1 3.95Å; S307-F311 WeakPolarHBondContact O-CB 3.34Å; S307-F311 PolarHBondContact O-N 3.15Å; S309-F311 VanDerWaalsContact C-N 3.34Å; F311-Q313 VanDerWaalsContact C-N 3.31Å; F311-Q313 PolarHBondContact O-N 3.38Å; F311-V314 PolarHBondContact O-N 2.83Å; F311-V315 HydrophobicContact CD2-CG2 4.24Å; F311-V315 HydrophobicContact CE1-CG2 4.39Å; F311-V315 HydrophobicContact CE2-CG2 3.95Å; F311-V315 HydrophobicContact CZ-CG2 4.02Å; F311-V315 WeakPolarHBondContact O-CB 3.24Å; F311-V315 VanDerWaalsContact O-CG2 3.27Å; F311-V315 WeakPolarHBondContact O-CG2 3.34Å; F311-V315 PolarHBondContact O-N 3.19Å; F311-L328 HydrophobicContact CZ-CD2 3.82Å; F311-L331 HydrophobicContact CD2-CD2 4.39Å; F311-L331 HydrophobicContact CE1-CD2 4.28Å; F311-L331 HydrophobicContact CE2-CD2 3.78Å; F311-L331 HydrophobicContact CZ-CD2 3.72Å
312	A	61.7	Low	56.8	Low	7 Å²	7	60.9 Å²	60.9	6%	0.058	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-35.5	174.8	0	0	0	0	0	113	L288 V291 E292 F308 S309 K316	L288-A312 HydrophobicContact CD2-CB 4.3Å; V291-A312 HydrophobicContact CG1-CB 3.88Å; E292-A312 HydrophobicContact CG-CB 4.41Å; F308-A312 WeakPolarHBondContact O-CB 3.3Å; F308-A312 PolarHBondContact O-N 2.88Å; S309-A312 PolarHBondContact O-N 3.32Å; A312-K316 VanDerWaalsContact O-CB 3.28Å; A312-K316 WeakPolarHBondContact O-CB 3.21Å; A312-K316 VanDerWaalsContact O-CG 3.29Å; A312-K316 WeakPolarHBondContact O-CG 3.44Å; A312-K316 PolarHBondContact O-N 2.83Å
313	Q	63.5	Low	56.3	Low	115 Å²	115	55.2 Å²	55.2	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-67.9	-47.3	176	-78.8	175.1	-4.6	0	0	111.9	S309 N310 F311 V315 K316 S317	S309-Q313 WeakPolarHBondContact O-CB 3.31Å; S309-Q313 VanDerWaalsContact O-CG 3.29Å; S309-Q313 WeakPolarHBondContact O-CG 3.28Å; S309-Q313 PolarHBondContact O-N 2.89Å; N310-Q313 PolarHBondContact O-N 3.33Å; F311-Q313 VanDerWaalsContact C-N 3.31Å; F311-Q313 PolarHBondContact O-N 3.38Å; Q313-V315 VanDerWaalsContact C-N 3.32Å; Q313-V315 PolarHBondContact O-N 2.64Å; Q313-K316 CarbonylContact O-C 3.53Å; Q313-K316 PolarHBondContact O-N 3.29Å; Q313-K316 VanDerWaalsContact O-N 3.07Å; Q313-S317 WeakPolarHBondContact O-CB 3.43Å; Q313-S317 PolarHBondContact O-N 2.93Å; Q313-S317 PolarHBondContact O-OG 2.92Å
314	V	57.8	Low	56.3	Low	52 Å²	52	56.8 Å²	56.8	32%	0.315	31%	0.309	S	S	.	.	H	α-helix	trans	-66.2	-35.3	178.6	176.5	0	0	0	0	111.6	A270 N310 F311 K316 S317	A270-V314 HydrophobicContact CB-CG1 3.92Å; N310-V314 WeakPolarHBondContact O-CG2 3.42Å; N310-V314 PolarHBondContact O-N 3.45Å; F311-V314 PolarHBondContact O-N 2.83Å; V314-K316 VanDerWaalsContact C-N 3.3Å; V314-S317 WeakPolarHBondContact CA-OG 3.3Å; V314-S317 PolarHBondContact O-N 3.25Å; V314-S317 PolarHBondContact O-OG 2.87Å
315	V	58.3	Low	56.2	Low	20 Å²	20	56 Å²	56	12%	0.121	31%	0.307	C	S	.	.	H	α-helix	trans	-77	-14.2	174.2	-179.5	0	0	0	0	112.2	L288 F311 Q313 I321	L288-V315 HydrophobicContact CD1-CG1 4.13Å; L288-V315 HydrophobicContact CD2-CB 3.72Å; L288-V315 HydrophobicContact CD2-CG1 3.56Å; L288-V315 HydrophobicContact CG-CB 4.48Å; L288-V315 HydrophobicContact CG-CG1 3.77Å; F311-V315 HydrophobicContact CD2-CG2 4.24Å; F311-V315 HydrophobicContact CE1-CG2 4.39Å; F311-V315 HydrophobicContact CE2-CG2 3.95Å; F311-V315 HydrophobicContact CZ-CG2 4.02Å; F311-V315 WeakPolarHBondContact O-CB 3.24Å; F311-V315 VanDerWaalsContact O-CG2 3.27Å; F311-V315 WeakPolarHBondContact O-CG2 3.34Å; F311-V315 PolarHBondContact O-N 3.19Å; Q313-V315 VanDerWaalsContact C-N 3.32Å; Q313-V315 PolarHBondContact O-N 2.64Å; V315-I321 HydrophobicContact CB-CD1 4.2Å; V315-I321 HydrophobicContact CG1-CD1 3.95Å; V315-I321 VanDerWaalsContact O-CD1 3.29Å; V315-I321 WeakPolarHBondContact O-CD1 3.24Å
316	K	60.8	Low	55.8	Low	124 Å²	124	57.5 Å²	57.5	54%	0.539	31%	0.314	S	S	.	.	H	α-helix	trans	-92.7	-25.6	168.4	-81.4	-177.6	167.4	-171.2	0	114.1	L288 E292 A312 Q313 V314 R318	L288-K316 HydrophobicContact CD1-CG 3.95Å; L288-K316 HydrophobicContact CD2-CG 3.94Å; E292-K316 WeakPolarHBondContact OE1-CE 3.47Å; E292-K316 IonicContact OE1-NZ 2.7Å; E292-K316 PolarHBondContact OE1-NZ 3.35Å; A312-K316 VanDerWaalsContact O-CB 3.28Å; A312-K316 WeakPolarHBondContact O-CB 3.21Å; A312-K316 VanDerWaalsContact O-CG 3.29Å; A312-K316 WeakPolarHBondContact O-CG 3.44Å; A312-K316 PolarHBondContact O-N 2.83Å; Q313-K316 CarbonylContact O-C 3.53Å; Q313-K316 PolarHBondContact O-N 3.29Å; Q313-K316 VanDerWaalsContact O-N 3.07Å; V314-K316 VanDerWaalsContact C-N 3.3Å; K316-R318 VanDerWaalsContact C-N 3.29Å; K316-R318 PolarHBondContact O-N 3.33Å
317	S	56.8	Low	55.5	Low	89 Å²	89	58.2 Å²	58.2	62%	0.622	32%	0.315	S	S	*	.	S	Bend	trans	-84.4	2.4	-172.4	69.4	0	0	0	0	114.4	Q313 V314	Q313-S317 WeakPolarHBondContact O-CB 3.43Å; Q313-S317 PolarHBondContact O-N 2.93Å; Q313-S317 PolarHBondContact O-OG 2.92Å; V314-S317 WeakPolarHBondContact CA-OG 3.3Å; V314-S317 PolarHBondContact O-N 3.25Å; V314-S317 PolarHBondContact O-OG 2.87Å
318	R	51.5	Low	55.5	Low	98 Å²	98	57.7 Å²	57.7	37%	0.37	31%	0.311	S	S	.	.			trans	-121.9	120.9	175	-67.7	178.4	173.4	159.5	0.5	108.5	A270 K316 D320 I321	A270-R318 PolarHBondContact O-NH1 3.1Å; A270-R318 PolarHBondContact O-NH2 3.17Å; K316-R318 VanDerWaalsContact C-N 3.29Å; K316-R318 PolarHBondContact O-N 3.33Å; R318-D320 PolarHBondContact O-N 3.38Å; R318-I321 HydrophobicContact CB-CD1 3.9Å; R318-I321 HydrophobicContact CB-CG1 3.87Å
319	S	47.3	Very low	55.4	Low	104 Å²	104	57.4 Å²	57.4	73%	0.727	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.5	176.5	44.4	0	0	0	0	113.2	I321	S319-I321 PolarHBondContact O-N 3.33Å
320	D	47.9	Very low	55.3	Low	123 Å²	123	55.8 Å²	55.8	66%	0.658	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	32.7	-161.1	-48.8	-17.6	0	0	0	111.9	R318 S322	R318-D320 PolarHBondContact O-N 3.38Å; D320-S322 VanDerWaalsContact C-N 3.33Å; D320-S322 PolarHBondContact O-N 3.22Å
321	I	45.5	Very low	55.1	Low	33 Å²	33	55.8 Å²	55.8	17%	0.169	30%	0.297	C	S	.	.			trans	-79.2	86	-179.2	-70	-179.4	0	0	0	110.2	V315 R318 S319 V323	V315-I321 HydrophobicContact CB-CD1 4.2Å; V315-I321 HydrophobicContact CG1-CD1 3.95Å; V315-I321 VanDerWaalsContact O-CD1 3.29Å; V315-I321 WeakPolarHBondContact O-CD1 3.24Å; R318-I321 HydrophobicContact CB-CD1 3.9Å; R318-I321 HydrophobicContact CB-CG1 3.87Å; S319-I321 PolarHBondContact O-N 3.33Å; I321-V323 HydrophobicContact CG2-CB 3.96Å; I321-V323 HydrophobicContact CG2-CG2 3.89Å
322	S	45.4	Very low	55.2	Low	26 Å²	26	54.8 Å²	54.8	18%	0.182	29%	0.293	C	S	.	.			trans	-91.5	30.7	159.5	63.9	0	0	0	0	112	G277 I278 D320 N324	G277-S322 PolarHBondContact N-OG 3.36Å; G277-S322 WeakPolarHBondContact O-CB 3.28Å; G277-S322 PolarHBondContact O-OG 3.21Å; I278-S322 WeakPolarHBondContact O-CB 3.38Å; D320-S322 VanDerWaalsContact C-N 3.33Å; D320-S322 PolarHBondContact O-N 3.22Å; S322-N324 PolarHBondContact O-N 2.71Å
323	V	50	Low	55.2	Low	32 Å²	32	55.4 Å²	55.4	19%	0.194	30%	0.298	C	S	.	.			trans	-66.4	125.3	177.8	177.2	0	0	0	0	108.6	I321 A325 Q327 L328	I321-V323 HydrophobicContact CG2-CB 3.96Å; I321-V323 HydrophobicContact CG2-CG2 3.89Å; V323-A325 PolarHBondContact O-N 3.23Å; V323-Q327 HydrophobicContact CG1-CB 4.36Å; V323-L328 HydrophobicContact CB-CD1 4.27Å; V323-L328 HydrophobicContact CB-CG 4.36Å; V323-L328 HydrophobicContact CG1-CD1 4.24Å; V323-L328 HydrophobicContact CG1-CD2 4.21Å; V323-L328 HydrophobicContact CG1-CG 3.8Å
324	N	55.9	Low	55.1	Low	83 Å²	83	52.3 Å²	52.3	44%	0.444	29%	0.287	S	S	.	.			trans	-51.8	122.7	-178.8	-175.1	-34.1	0	0	0	110.7	S322 K326 Q327 L328	S322-N324 PolarHBondContact O-N 2.71Å; N324-K326 PolarHBondContact O-N 3.3Å; N324-K326 WeakPolarHBondContact OD1-CB 3.43Å; N324-K326 PolarHBondContact OD1-N 3.32Å; N324-Q327 HydrophobicContact CB-CG 4.4Å; N324-Q327 WeakPolarHBondContact O-CB 3.36Å; N324-Q327 PolarHBondContact O-N 3.39Å; N324-L328 PolarHBondContact O-N 2.92Å
325	A	51.5	Low	55.2	Low	11 Å²	11	51.1 Å²	51.1	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-32.5	-48.8	172.8	0	0	0	0	0	113.7	I280 L283 V323 Q327 L328 L329	I280-A325 HydrophobicContact CD1-CB 4.46Å; I280-A325 HydrophobicContact CG2-CB 4.31Å; L283-A325 HydrophobicContact CD2-CB 3.34Å; V323-A325 PolarHBondContact O-N 3.23Å; A325-Q327 PolarHBondContact O-N 2.93Å; A325-L328 PolarHBondContact O-N 3.27Å; A325-L329 WeakPolarHBondContact O-CB 3.49Å; A325-L329 VanDerWaalsContact O-CG 3.32Å; A325-L329 WeakPolarHBondContact O-CG 3.32Å; A325-L329 PolarHBondContact O-N 3.37Å
326	K	54.3	Low	55.5	Low	85 Å²	85	50.2 Å²	50.2	37%	0.37	28%	0.275	S	S	.	.	H	α-helix	trans	-57	-43.5	-178.1	-157.4	173.5	-172.9	172	0	112.4	N324 T330 F424	N324-K326 PolarHBondContact O-N 3.3Å; N324-K326 WeakPolarHBondContact OD1-CB 3.43Å; N324-K326 PolarHBondContact OD1-N 3.32Å; K326-T330 PolarHBondContact O-N 3.16Å; K326-T330 PolarHBondContact O-OG1 2.93Å; K326-T330 VanDerWaalsContact O-OG1 3.06Å; K326-F424 HydrophobicContact CB-CE2 4.36Å; K326-F424 HydrophobicContact CD-CZ 4.3Å; K326-F424 HydrophobicContact CG-CD2 4.37Å; K326-F424 HydrophobicContact CG-CE2 3.45Å; K326-F424 VanDerWaalsContact CG-CE2 3.45Å; K326-F424 HydrophobicContact CG-CZ 3.56Å
327	Q	55.4	Low	55.6	Low	68 Å²	68	44.9 Å²	44.9	32%	0.318	25%	0.253	S	S	.	.	H	α-helix	trans	-69.7	-43.5	-178.7	-66.1	178.6	-6.4	0	0	111.9	V323 N324 A325 T330 L331	V323-Q327 HydrophobicContact CG1-CB 4.36Å; N324-Q327 HydrophobicContact CB-CG 4.4Å; N324-Q327 WeakPolarHBondContact O-CB 3.36Å; N324-Q327 PolarHBondContact O-N 3.39Å; A325-Q327 PolarHBondContact O-N 2.93Å; Q327-T330 PolarHBondContact O-N 2.87Å; Q327-L331 WeakPolarHBondContact O-CB 3.42Å; Q327-L331 PolarHBondContact O-N 3.43Å
328	L	57	Low	55.8	Low	13 Å²	13	44 Å²	44	7%	0.068	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176.9	-72.2	173	0	0	0	111.8	I287 F311 V323 N324 A325 L331 M332	I287-L328 HydrophobicContact CD1-CB 3.82Å; I287-L328 HydrophobicContact CD1-CD1 4.37Å; I287-L328 HydrophobicContact CG2-CB 4.25Å; F311-L328 HydrophobicContact CZ-CD2 3.82Å; V323-L328 HydrophobicContact CB-CD1 4.27Å; V323-L328 HydrophobicContact CB-CG 4.36Å; V323-L328 HydrophobicContact CG1-CD1 4.24Å; V323-L328 HydrophobicContact CG1-CD2 4.21Å; V323-L328 HydrophobicContact CG1-CG 3.8Å; N324-L328 PolarHBondContact O-N 2.92Å; A325-L328 PolarHBondContact O-N 3.27Å; L328-L331 PolarHBondContact O-N 2.84Å; L328-M332 WeakPolarHBondContact O-CB 3.15Å; L328-M332 PolarHBondContact O-N 3.45Å
329	L	59.7	Low	56.4	Low	2 Å²	2	39.9 Å²	39.9	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-45.5	175.5	-72.1	168.5	0	0	0	111.8	L283 I287 A325 L331 M332 A333 Q423 F424	L283-L329 HydrophobicContact CD2-CD1 4.23Å; I287-L329 HydrophobicContact CD1-CD2 3.96Å; I287-L329 HydrophobicContact CD1-CG 3.82Å; I287-L329 HydrophobicContact CG1-CD2 3.99Å; I287-L329 HydrophobicContact CG1-CG 4.42Å; A325-L329 WeakPolarHBondContact O-CB 3.49Å; A325-L329 VanDerWaalsContact O-CG 3.32Å; A325-L329 WeakPolarHBondContact O-CG 3.32Å; A325-L329 PolarHBondContact O-N 3.37Å; L329-L331 PolarHBondContact O-N 3.29Å; L329-M332 HydrophobicContact CD2-CE 3.69Å; L329-M332 PolarHBondContact O-N 3.41Å; L329-A333 WeakPolarHBondContact O-CB 3.47Å; L329-A333 PolarHBondContact O-N 3.49Å; L329-Q423 HydrophobicContact CD1-CB 4.44Å; L329-Q423 HydrophobicContact CD2-CB 4.07Å; L329-F424 HydrophobicContact CB-CD2 3.86Å; L329-F424 HydrophobicContact CD1-CB 4.11Å; L329-F424 HydrophobicContact CD1-CD2 4.18Å
330	T	58.6	Low	57.3	Low	16 Å²	16	35 Å²	35	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-39.7	176.2	-57.3	0	0	0	0	112.3	K326 Q327 M332 A333 T334 L441	K326-T330 PolarHBondContact O-N 3.16Å; K326-T330 PolarHBondContact O-OG1 2.93Å; K326-T330 VanDerWaalsContact O-OG1 3.06Å; Q327-T330 PolarHBondContact O-N 2.87Å; T330-M332 VanDerWaalsContact C-N 3.32Å; T330-M332 PolarHBondContact O-N 3.31Å; T330-A333 PolarHBondContact O-N 2.88Å; T330-T334 HydrophobicContact CG2-CG2 4.22Å; T330-T334 WeakPolarHBondContact O-CB 3.3Å; T330-T334 WeakPolarHBondContact O-CG2 3.43Å; T330-T334 PolarHBondContact O-N 3.15Å; T330-T334 PolarHBondContact O-OG1 3.39Å; T330-L441 HydrophobicContact CG2-CD1 3.69Å; T330-L441 HydrophobicContact CG2-CD2 3.84Å; T330-L441 HydrophobicContact CG2-CG 4.42Å; T330-L441 WeakPolarHBondContact OG1-CD1 3.43Å
331	L	59.2	Low	58.2	Low	47 Å²	47	35 Å²	35	25%	0.246	19%	0.192	C	C	.	.	H	α-helix	trans	-67	-35.2	178.9	-166.8	141.2	0	0	0	111.8	V269 F311 Q327 L328 L329 T334 C335	V269-L331 HydrophobicContact CG1-CD1 3.82Å; F311-L331 HydrophobicContact CD2-CD2 4.39Å; F311-L331 HydrophobicContact CE1-CD2 4.28Å; F311-L331 HydrophobicContact CE2-CD2 3.78Å; F311-L331 HydrophobicContact CZ-CD2 3.72Å; Q327-L331 WeakPolarHBondContact O-CB 3.42Å; Q327-L331 PolarHBondContact O-N 3.43Å; L328-L331 PolarHBondContact O-N 2.84Å; L329-L331 PolarHBondContact O-N 3.29Å; L331-T334 WeakPolarHBondContact CA-OG1 3.49Å; L331-T334 PolarHBondContact O-OG1 2.67Å; L331-C335 WeakPolarHBondContact O-CB 3.35Å; L331-C335 PolarHBondContact O-N 2.86Å; L331-C335 PolarHBondContact O-SG 2.8Å
332	M	61.6	Low	59.3	Low	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-44.8	170.6	178.8	177.2	48.7	0	0	112.1	I287 R290 I294 L328 L329 T330 C335 L336 S420	I287-M332 HydrophobicContact CG2-CE 4.32Å; R290-M332 HydrophobicContact CB-SD 4.33Å; R290-M332 HydrophobicContact CG-CE 4.45Å; R290-M332 HydrophobicContact CG-SD 3.75Å; I294-M332 HydrophobicContact CD1-CG 4.32Å; I294-M332 HydrophobicContact CD1-SD 4.12Å; L328-M332 WeakPolarHBondContact O-CB 3.15Å; L328-M332 PolarHBondContact O-N 3.45Å; L329-M332 HydrophobicContact CD2-CE 3.69Å; L329-M332 PolarHBondContact O-N 3.41Å; T330-M332 VanDerWaalsContact C-N 3.32Å; T330-M332 PolarHBondContact O-N 3.31Å; M332-C335 PolarHBondContact O-N 3.43Å; M332-L336 HydrophobicContact CG-CD1 4.1Å; M332-L336 WeakPolarHBondContact O-CG 3.29Å; M332-L336 PolarHBondContact O-N 2.93Å; M332-S420 WeakPolarHBondContact CE-OG 3.26Å
333	A	61.8	Low	60.4	Low	21 Å²	21	37.4 Å²	37.4	17%	0.174	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-43.3	179.5	0	0	0	0	0	112.3	L329 T330 L336 V337 L417	L329-A333 WeakPolarHBondContact O-CB 3.47Å; L329-A333 PolarHBondContact O-N 3.49Å; T330-A333 PolarHBondContact O-N 2.88Å; A333-L336 PolarHBondContact O-N 2.88Å; A333-V337 WeakPolarHBondContact O-CB 3.48Å; A333-V337 WeakPolarHBondContact O-CG2 3.33Å; A333-V337 PolarHBondContact O-N 3.34Å; A333-L417 HydrophobicContact CB-CD1 3.93Å
334	T	60.2	Low	61.2	Low	50 Å²	50	37.4 Å²	37.4	31%	0.307	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-40.7	174.8	47.5	0	0	0	0	112.3	T330 L331 S338 H449	T330-T334 HydrophobicContact CG2-CG2 4.22Å; T330-T334 WeakPolarHBondContact O-CB 3.3Å; T330-T334 WeakPolarHBondContact O-CG2 3.43Å; T330-T334 PolarHBondContact O-N 3.15Å; T330-T334 PolarHBondContact O-OG1 3.39Å; L331-T334 WeakPolarHBondContact CA-OG1 3.49Å; L331-T334 PolarHBondContact O-OG1 2.67Å; T334-S338 VanDerWaalsContact O-CB 3.32Å; T334-S338 WeakPolarHBondContact O-CB 3.45Å; T334-S338 PolarHBondContact O-N 3.11Å; T334-H449 WeakPolarHBondContact CG2-CE1 3.14Å
335	C	61.3	Low	62.1	Low	27 Å²	27	37.2 Å²	37.2	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-47	172.1	-70.9	0	0	0	0	112	F308 L331 M332 S338 I339	F308-C335 HydrophobicContact CE1-CB 4.09Å; F308-C335 HydrophobicContact CZ-CB 4.07Å; L331-C335 WeakPolarHBondContact O-CB 3.35Å; L331-C335 PolarHBondContact O-N 2.86Å; L331-C335 PolarHBondContact O-SG 2.8Å; M332-C335 PolarHBondContact O-N 3.43Å; C335-S338 PolarHBondContact O-N 3.42Å; C335-I339 VanDerWaalsContact O-CG1 3.28Å; C335-I339 WeakPolarHBondContact O-CG1 3.43Å; C335-I339 PolarHBondContact O-N 2.81Å
336	L	63	Low	63.2	Low	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-47.8	177.9	-72.5	170.5	0	0	0	112	I294 M332 A333 S338 I339 I340 L413 H416 L417	I294-L336 HydrophobicContact CD1-CD1 4.46Å; I294-L336 HydrophobicContact CD1-CD2 4.13Å; M332-L336 HydrophobicContact CG-CD1 4.1Å; M332-L336 WeakPolarHBondContact O-CG 3.29Å; M332-L336 PolarHBondContact O-N 2.93Å; A333-L336 PolarHBondContact O-N 2.88Å; L336-S338 VanDerWaalsContact C-N 3.3Å; L336-S338 PolarHBondContact O-N 3.13Å; L336-I339 PolarHBondContact O-N 3.15Å; L336-I340 WeakPolarHBondContact O-CB 3.37Å; L336-I340 WeakPolarHBondContact O-CD1 3.2Å; L336-I340 VanDerWaalsContact O-CG1 3.26Å; L336-I340 WeakPolarHBondContact O-CG1 3.41Å; L336-I340 PolarHBondContact O-N 3.4Å; L336-L413 HydrophobicContact CD2-CD2 3.63Å; L336-H416 HydrophobicContact CD1-CB 4.13Å; L336-H416 HydrophobicContact CD2-CB 4.36Å; L336-L417 HydrophobicContact CB-CD1 4.2Å; L336-L417 HydrophobicContact CD1-CB 4.26Å; L336-L417 HydrophobicContact CD1-CD1 4.39Å
337	V	63.8	Low	64.1	Low	13 Å²	13	36.8 Å²	36.8	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-38.4	176.9	169.3	0	0	0	0	111.5	A333 I340 K341 L417	A333-V337 WeakPolarHBondContact O-CB 3.48Å; A333-V337 WeakPolarHBondContact O-CG2 3.33Å; A333-V337 PolarHBondContact O-N 3.34Å; V337-I340 PolarHBondContact O-N 2.86Å; V337-K341 HydrophobicContact CG1-CD 4.11Å; V337-K341 WeakPolarHBondContact O-CB 3.49Å; V337-K341 VanDerWaalsContact O-CG 3.32Å; V337-K341 WeakPolarHBondContact O-CG 3.45Å; V337-K341 PolarHBondContact O-N 2.82Å; V337-L417 HydrophobicContact CG2-CD1 4.06Å; V337-L417 HydrophobicContact CG2-CD2 3.84Å
338	S	61.6	Low	64.9	Low	70 Å²	70	38.1 Å²	38.1	49%	0.49	20%	0.204	S	C	.	.	H	α-helix	trans	-63.4	-46.8	175.8	-168.7	0	0	0	0	112.1	T334 C335 L336 I340 K341 E342	T334-S338 VanDerWaalsContact O-CB 3.32Å; T334-S338 WeakPolarHBondContact O-CB 3.45Å; T334-S338 PolarHBondContact O-N 3.11Å; C335-S338 PolarHBondContact O-N 3.42Å; L336-S338 VanDerWaalsContact C-N 3.3Å; L336-S338 PolarHBondContact O-N 3.13Å; S338-I340 PolarHBondContact O-N 2.87Å; S338-K341 PolarHBondContact O-N 2.86Å; S338-E342 PolarHBondContact O-N 3.24Å
339	I	63.5	Low	65.8	Low	12 Å²	12	42 Å²	42	6%	0.062	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-40.2	177.8	-63.1	163.8	0	0	0	111	M304 F308 C335 L336 E342 L343 L413	M304-I339 HydrophobicContact CE-CG1 3.98Å; M304-I339 HydrophobicContact CE-CG2 4.3Å; M304-I339 HydrophobicContact SD-CD1 4.46Å; M304-I339 HydrophobicContact SD-CG1 4.23Å; M304-I339 HydrophobicContact SD-CG2 4.25Å; F308-I339 HydrophobicContact CE2-CD1 3.56Å; F308-I339 HydrophobicContact CZ-CD1 3.66Å; C335-I339 VanDerWaalsContact O-CG1 3.28Å; C335-I339 WeakPolarHBondContact O-CG1 3.43Å; C335-I339 PolarHBondContact O-N 2.81Å; L336-I339 PolarHBondContact O-N 3.15Å; I339-E342 PolarHBondContact O-N 3.13Å; I339-L343 HydrophobicContact CG2-CD1 3.87Å; I339-L343 HydrophobicContact CG2-CG 4.35Å; I339-L343 WeakPolarHBondContact O-CB 3.36Å; I339-L343 WeakPolarHBondContact O-CG 3.49Å; I339-L343 PolarHBondContact O-N 3.4Å; I339-L413 HydrophobicContact CG2-CD1 3.7Å; I339-L413 HydrophobicContact CG2-CD2 4.47Å
340	I	65.5	Low	66.5	Low	1 Å²	1	43 Å²	43	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-44.3	175.5	-70.1	162.6	0	0	0	110.5	L336 V337 S338 E342 L343 M344 L410 L413 V414 L417 V456	L336-I340 WeakPolarHBondContact O-CB 3.37Å; L336-I340 WeakPolarHBondContact O-CD1 3.2Å; L336-I340 VanDerWaalsContact O-CG1 3.26Å; L336-I340 WeakPolarHBondContact O-CG1 3.41Å; L336-I340 PolarHBondContact O-N 3.4Å; V337-I340 PolarHBondContact O-N 2.86Å; S338-I340 PolarHBondContact O-N 2.87Å; I340-E342 VanDerWaalsContact C-N 3.3Å; I340-E342 PolarHBondContact O-N 3.46Å; I340-L343 PolarHBondContact O-N 2.95Å; I340-M344 HydrophobicContact CG2-CE 4.16Å; I340-M344 HydrophobicContact CG2-CG 4.22Å; I340-M344 HydrophobicContact CG2-SD 4.27Å; I340-M344 WeakPolarHBondContact O-CG 3.26Å; I340-M344 PolarHBondContact O-N 3.32Å; I340-L410 HydrophobicContact CB-CD2 4.4Å; I340-L410 HydrophobicContact CG1-CD2 4.31Å; I340-L410 HydrophobicContact CG2-CD2 4.09Å; I340-L413 HydrophobicContact CD1-CB 4.12Å; I340-L413 HydrophobicContact CG1-CB 3.95Å; I340-L413 HydrophobicContact CG1-CD1 4.46Å; I340-V414 HydrophobicContact CD1-CG2 3.77Å; I340-V414 HydrophobicContact CG1-CG2 4.45Å; I340-L417 HydrophobicContact CD1-CD2 4.11Å; I340-V456 HydrophobicContact CD1-CG1 4.32Å; I340-V456 HydrophobicContact CG2-CG1 4.12Å; I340-V456 HydrophobicContact CG2-CG2 4.02Å
341	K	67.8	Low	67.1	Low	123 Å²	123	43.5 Å²	43.5	54%	0.535	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-32	174.1	-75.3	175.3	179.3	179.5	0	113	V337 S338 P345	V337-K341 HydrophobicContact CG1-CD 4.11Å; V337-K341 WeakPolarHBondContact O-CB 3.49Å; V337-K341 VanDerWaalsContact O-CG 3.32Å; V337-K341 WeakPolarHBondContact O-CG 3.45Å; V337-K341 PolarHBondContact O-N 2.82Å; S338-K341 PolarHBondContact O-N 2.86Å; K341-P345 WeakPolarHBondContact O-CD 3.28Å
342	E	68.9	Low	67.9	Low	89 Å²	89	46.1 Å²	46.1	42%	0.416	24%	0.241	S	C	.	.	H	α-helix	trans	-77.7	-27.5	175	-153.6	-150.2	131.5	0	0	113.6	M304 S338 I339 I340 K346	M304-E342 WeakPolarHBondContact CE-OE2 3.33Å; S338-E342 PolarHBondContact O-N 3.24Å; I339-E342 PolarHBondContact O-N 3.13Å; I340-E342 VanDerWaalsContact C-N 3.3Å; I340-E342 PolarHBondContact O-N 3.46Å; E342-K346 WeakPolarHBondContact O-CD 3.33Å; E342-K346 VanDerWaalsContact O-CE 3.3Å; E342-K346 WeakPolarHBondContact O-CE 3.36Å; E342-K346 IonicContact OE1-NZ 3.81Å; E342-K346 PolarHBondContact OE1-NZ 3.4Å
343	L	67.8	Low	68.7	Low	20 Å²	20	50.8 Å²	50.8	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-90	-33.3	-177.1	-73	178.1	0	0	0	113.8	I339 I340 K346 L347 L406 L410 L413	I339-L343 HydrophobicContact CG2-CD1 3.87Å; I339-L343 HydrophobicContact CG2-CG 4.35Å; I339-L343 WeakPolarHBondContact O-CB 3.36Å; I339-L343 WeakPolarHBondContact O-CG 3.49Å; I339-L343 PolarHBondContact O-N 3.4Å; I340-L343 PolarHBondContact O-N 2.95Å; L343-K346 WeakPolarHBondContact O-CB 3.26Å; L343-K346 PolarHBondContact O-N 2.95Å; L343-L347 PolarHBondContact O-N 2.9Å; L343-L406 HydrophobicContact CB-CD2 4.24Å; L343-L406 HydrophobicContact CD2-CD2 4.45Å; L343-L410 HydrophobicContact CB-CD2 3.84Å; L343-L410 HydrophobicContact CB-CG 4.32Å; L343-L413 HydrophobicContact CD1-CD1 3.61Å
344	M	68	Low	69.7	Low	33 Å²	33	51.2 Å²	51.2	16%	0.163	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-45.7	-179.1	-77.8	-167.9	-61	0	0	114.3	I340 K346 L347 Q348 L410 R459	I340-M344 HydrophobicContact CG2-CE 4.16Å; I340-M344 HydrophobicContact CG2-CG 4.22Å; I340-M344 HydrophobicContact CG2-SD 4.27Å; I340-M344 WeakPolarHBondContact O-CG 3.26Å; I340-M344 PolarHBondContact O-N 3.32Å; M344-K346 PolarHBondContact O-N 2.95Å; M344-L347 WeakPolarHBondContact O-CB 3.38Å; M344-L347 PolarHBondContact O-N 3.09Å; M344-L347 VanDerWaalsContact O-N 3.16Å; M344-Q348 PolarHBondContact O-N 3Å; M344-Q348 VanDerWaalsContact O-N 3.09Å; M344-L410 HydrophobicContact CG-CD2 4.23Å; M344-R459 HydrophobicContact SD-CG 4.32Å
345	P	73.9	Confident	70.3	Confident	78 Å²	78	50.2 Å²	50.2	51%	0.506	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-33.9	177.8	-24.1	35	0	0	0	112.7	K341 Q348 E349	K341-P345 WeakPolarHBondContact O-CD 3.28Å; P345-Q348 PolarHBondContact O-N 3.21Å; P345-E349 WeakPolarHBondContact O-CB 3.4Å; P345-E349 PolarHBondContact O-N 3.06Å
346	K	74	Confident	71.2	Confident	79 Å²	79	53.7 Å²	53.7	34%	0.343	28%	0.275	S	S	.	.	H	α-helix	trans	-72.6	-33.4	178.5	-59.5	172.5	-171.4	173.7	0	111.8	E342 L343 M344 I350 L406	E342-K346 WeakPolarHBondContact O-CD 3.33Å; E342-K346 VanDerWaalsContact O-CE 3.3Å; E342-K346 WeakPolarHBondContact O-CE 3.36Å; E342-K346 IonicContact OE1-NZ 3.81Å; E342-K346 PolarHBondContact OE1-NZ 3.4Å; L343-K346 WeakPolarHBondContact O-CB 3.26Å; L343-K346 PolarHBondContact O-N 2.95Å; M344-K346 PolarHBondContact O-N 2.95Å; K346-I350 VanDerWaalsContact O-CD1 3.31Å; K346-I350 WeakPolarHBondContact O-CD1 3.3Å; K346-I350 WeakPolarHBondContact O-CG1 3.28Å; K346-I350 PolarHBondContact O-N 2.79Å; K346-L406 HydrophobicContact CB-CD1 4.34Å
347	L	72.7	Confident	71.8	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-49.4	169.6	179.5	60	0	0	0	110.2	L343 M344 E349 I350 T351 E403 L406 R407 L410 I463	L343-L347 PolarHBondContact O-N 2.9Å; M344-L347 WeakPolarHBondContact O-CB 3.38Å; M344-L347 PolarHBondContact O-N 3.09Å; M344-L347 VanDerWaalsContact O-N 3.16Å; L347-E349 PolarHBondContact O-N 3.04Å; L347-I350 PolarHBondContact O-N 3.07Å; L347-T351 WeakPolarHBondContact O-CB 3.4Å; L347-T351 PolarHBondContact O-N 3.35Å; L347-T351 PolarHBondContact O-OG1 3.34Å; L347-E403 HydrophobicContact CD1-CG 3.8Å; L347-L406 HydrophobicContact CB-CD2 3.83Å; L347-R407 HydrophobicContact CD1-CG 3.69Å; L347-R407 HydrophobicContact CD2-CG 3.98Å; L347-L410 HydrophobicContact CB-CD1 4.18Å; L347-L410 HydrophobicContact CD2-CD1 3.76Å; L347-I463 HydrophobicContact CD2-CD1 3.95Å; L347-I463 HydrophobicContact CD2-CG1 4.47Å; L347-I463 HydrophobicContact CD2-CG2 4.37Å
348	Q	72.6	Confident	72.3	Confident	96 Å²	96	56.7 Å²	56.7	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-58.4	-49.6	-179.4	-179.5	173.5	-19.2	0	0	111.7	M344 P345 I350 T351 E352	M344-Q348 PolarHBondContact O-N 3Å; M344-Q348 VanDerWaalsContact O-N 3.09Å; P345-Q348 PolarHBondContact O-N 3.21Å; Q348-I350 VanDerWaalsContact C-N 3.31Å; Q348-I350 PolarHBondContact O-N 3.17Å; Q348-T351 PolarHBondContact O-N 2.96Å; Q348-T351 VanDerWaalsContact O-N 3.11Å; Q348-E352 HydrophobicContact CG-CG 4.4Å; Q348-E352 WeakPolarHBondContact CG-OE1 3.19Å; Q348-E352 PolarHBondContact NE2-OE1 3.16Å; Q348-E352 WeakPolarHBondContact O-CG 3.43Å; Q348-E352 PolarHBondContact O-N 3.06Å
349	E	76.4	Confident	73	Confident	95 Å²	95	58 Å²	58	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-56	-41.6	177.1	-170.2	-160.9	156.2	0	0	112.8	P345 L347 K353	P345-E349 WeakPolarHBondContact O-CB 3.4Å; P345-E349 PolarHBondContact O-N 3.06Å; L347-E349 PolarHBondContact O-N 3.04Å; E349-K353 HydrophobicContact CG-CD 4.33Å; E349-K353 WeakPolarHBondContact O-CB 3.44Å; E349-K353 VanDerWaalsContact O-CG 3.25Å; E349-K353 WeakPolarHBondContact O-CG 3.39Å; E349-K353 PolarHBondContact O-N 3.21Å; E349-K353 VanDerWaalsContact O-N 3.08Å; E349-K353 WeakPolarHBondContact OE1-CE 3.46Å; E349-K353 IonicContact OE1-NZ 2.8Å; E349-K353 PolarHBondContact OE1-NZ 3.43Å
350	I	74.7	Confident	73.7	Confident	24 Å²	24	63.6 Å²	63.6	12%	0.123	32%	0.318	C	S	.	.	H	α-helix	trans	-68.9	-41.8	177.2	-68.2	165.5	0	0	0	110.8	K346 L347 Q348 K353 R354 L399 L402 E403 L406	K346-I350 VanDerWaalsContact O-CD1 3.31Å; K346-I350 WeakPolarHBondContact O-CD1 3.3Å; K346-I350 WeakPolarHBondContact O-CG1 3.28Å; K346-I350 PolarHBondContact O-N 2.79Å; L347-I350 PolarHBondContact O-N 3.07Å; Q348-I350 VanDerWaalsContact C-N 3.31Å; Q348-I350 PolarHBondContact O-N 3.17Å; I350-K353 PolarHBondContact O-N 3.27Å; I350-R354 WeakPolarHBondContact O-CB 3.1Å; I350-R354 PolarHBondContact O-N 2.96Å; I350-L399 HydrophobicContact CG2-CB 4.48Å; I350-L399 HydrophobicContact CG2-CD2 4.41Å; I350-L402 HydrophobicContact CD1-CB 4.25Å; I350-L402 HydrophobicContact CG2-CB 4.41Å; I350-E403 HydrophobicContact CG2-CB 3.83Å; I350-L406 HydrophobicContact CD1-CD1 4.12Å
351	T	70.8	Confident	74.1	Confident	26 Å²	26	64 Å²	64	16%	0.16	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-42.8	179.8	-60.2	0	0	0	0	111.7	L347 Q348 R354 G355	L347-T351 WeakPolarHBondContact O-CB 3.4Å; L347-T351 PolarHBondContact O-N 3.35Å; L347-T351 PolarHBondContact O-OG1 3.34Å; Q348-T351 PolarHBondContact O-N 2.96Å; Q348-T351 VanDerWaalsContact O-N 3.11Å; T351-R354 WeakPolarHBondContact O-CB 3.48Å; T351-R354 PolarHBondContact O-N 3.44Å; T351-G355 PolarHBondContact O-N 3.17Å
352	E	75.1	Confident	74.3	Confident	102 Å²	102	62.5 Å²	62.5	48%	0.477	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-46.4	173.9	-71.7	170.5	-171.8	0	0	111.6	Q348 R354 G355 N356	Q348-E352 HydrophobicContact CG-CG 4.4Å; Q348-E352 WeakPolarHBondContact CG-OE1 3.19Å; Q348-E352 PolarHBondContact NE2-OE1 3.16Å; Q348-E352 WeakPolarHBondContact O-CG 3.43Å; Q348-E352 PolarHBondContact O-N 3.06Å; E352-R354 VanDerWaalsContact C-N 3.35Å; E352-R354 PolarHBondContact O-N 3.17Å; E352-G355 PolarHBondContact O-N 3.41Å; E352-N356 PolarHBondContact O-N 2.76Å; E352-N356 PolarHBondContact O-ND2 2.98Å
353	K	79.7	Confident	74.5	Confident	100 Å²	100	60.4 Å²	60.4	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-41.9	175.4	-75.3	172.4	178.1	179.1	0	112.1	E349 I350 N356 I357 L399	E349-K353 HydrophobicContact CG-CD 4.33Å; E349-K353 WeakPolarHBondContact O-CB 3.44Å; E349-K353 VanDerWaalsContact O-CG 3.25Å; E349-K353 WeakPolarHBondContact O-CG 3.39Å; E349-K353 PolarHBondContact O-N 3.21Å; E349-K353 VanDerWaalsContact O-N 3.08Å; E349-K353 WeakPolarHBondContact OE1-CE 3.46Å; E349-K353 IonicContact OE1-NZ 2.8Å; E349-K353 PolarHBondContact OE1-NZ 3.43Å; I350-K353 PolarHBondContact O-N 3.27Å; K353-N356 PolarHBondContact O-N 3.3Å; K353-I357 WeakPolarHBondContact O-CG1 3.23Å; K353-I357 PolarHBondContact O-N 2.93Å; K353-I357 VanDerWaalsContact O-N 3.16Å; K353-L399 HydrophobicContact CB-CD1 3.78Å
354	R	81.3	Confident	74.7	Confident	29 Å²	29	60.9 Å²	60.9	11%	0.109	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-46.9	174.4	179.1	-163.1	69.2	166.6	-1.6	111.3	I350 T351 E352 N356 I357 Q358 L396 L399 E403 E466	I350-R354 WeakPolarHBondContact O-CB 3.1Å; I350-R354 PolarHBondContact O-N 2.96Å; T351-R354 WeakPolarHBondContact O-CB 3.48Å; T351-R354 PolarHBondContact O-N 3.44Å; E352-R354 VanDerWaalsContact C-N 3.35Å; E352-R354 PolarHBondContact O-N 3.17Å; R354-N356 PolarHBondContact O-N 3.25Å; R354-I357 PolarHBondContact O-N 2.79Å; R354-Q358 PolarHBondContact O-N 2.91Å; R354-L396 HydrophobicContact CG-CD1 3.9Å; R354-L399 HydrophobicContact CB-CB 4.26Å; R354-L399 HydrophobicContact CB-CD1 4.36Å; R354-E403 WeakPolarHBondContact CD-OE2 3.39Å; R354-E403 IonicContact CZ-OE1 3.55Å; R354-E403 VanDerWaalsContact CZ-OE1 3.32Å; R354-E403 IonicContact CZ-OE2 3.55Å; R354-E403 IonicContact NE-OE2 2.68Å; R354-E403 PolarHBondContact NE-OE2 3.12Å; R354-E403 IonicContact NH1-OE1 2.65Å; R354-E403 PolarHBondContact NH1-OE1 3.04Å; R354-E403 IonicContact NH1-OE2 2.7Å; R354-E403 PolarHBondContact NH1-OE2 2.86Å; R354-E403 IonicContact NH2-OE1 2.62Å; R354-E466 IonicContact NH2-OE1 3.75Å
355	G	73.6	Confident	74.7	Confident	30 Å²	30	62 Å²	62	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-49.9	176.6	0	0	0	0	0	111.8	T351 E352 I357 Q358 T359	T351-G355 PolarHBondContact O-N 3.17Å; E352-G355 PolarHBondContact O-N 3.41Å; G355-I357 VanDerWaalsContact C-N 3.27Å; G355-I357 PolarHBondContact O-N 3.06Å; G355-Q358 WeakPolarHBondContact O-CB 3.36Å; G355-Q358 PolarHBondContact O-N 3.04Å; G355-Q358 VanDerWaalsContact O-N 3.07Å; G355-T359 PolarHBondContact O-N 3.08Å; G355-T359 PolarHBondContact O-OG1 3.21Å
356	N	80.1	Confident	74.4	Confident	100 Å²	100	62.6 Å²	62.6	54%	0.535	33%	0.333	S	S	.	.	H	α-helix	trans	-58.4	-33.6	177.8	-76.9	-49.8	0	0	0	113.9	E352 K353 R354 K360	E352-N356 PolarHBondContact O-N 2.76Å; E352-N356 PolarHBondContact O-ND2 2.98Å; K353-N356 PolarHBondContact O-N 3.3Å; R354-N356 PolarHBondContact O-N 3.25Å; N356-K360 WeakPolarHBondContact O-CD 3.36Å; N356-K360 VanDerWaalsContact O-CG 3.28Å; N356-K360 WeakPolarHBondContact O-CG 3.34Å; N356-K360 PolarHBondContact O-N 3.47Å
357	I	75.3	Confident	74	Confident	8 Å²	8	63 Å²	63	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-76.7	-39.1	174.5	-64	179.5	0	0	0	111.5	K353 R354 G355 T359 K360 L361 L392 E395 L396 L399	K353-I357 WeakPolarHBondContact O-CG1 3.23Å; K353-I357 PolarHBondContact O-N 2.93Å; K353-I357 VanDerWaalsContact O-N 3.16Å; R354-I357 PolarHBondContact O-N 2.79Å; G355-I357 VanDerWaalsContact C-N 3.27Å; G355-I357 PolarHBondContact O-N 3.06Å; I357-T359 PolarHBondContact O-N 3.25Å; I357-K360 PolarHBondContact O-N 2.77Å; I357-L361 HydrophobicContact CG2-CD1 4.11Å; I357-L361 HydrophobicContact CG2-CG 4.5Å; I357-L361 WeakPolarHBondContact O-CG 3.49Å; I357-L361 PolarHBondContact O-N 2.87Å; I357-L392 HydrophobicContact CG2-CB 4.37Å; I357-L392 HydrophobicContact CG2-CD2 4.24Å; I357-E395 HydrophobicContact CD1-CB 3.9Å; I357-E395 HydrophobicContact CD1-CG 3.44Å; I357-E395 VanDerWaalsContact CD1-CG 3.44Å; I357-L396 HydrophobicContact CB-CD1 4.37Å; I357-L396 HydrophobicContact CG2-CB 3.93Å; I357-L396 HydrophobicContact CG2-CD1 4.17Å; I357-L399 HydrophobicContact CD1-CD1 3.66Å
358	Q	74.2	Confident	73.5	Confident	67 Å²	67	64 Å²	64	31%	0.313	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-44.9	175.7	-170.1	63.7	50.1	0	0	111.2	R354 G355 K360 L361 N362 L396	R354-Q358 PolarHBondContact O-N 2.91Å; G355-Q358 WeakPolarHBondContact O-CB 3.36Å; G355-Q358 PolarHBondContact O-N 3.04Å; G355-Q358 VanDerWaalsContact O-N 3.07Å; Q358-K360 VanDerWaalsContact C-N 3.35Å; Q358-K360 PolarHBondContact O-N 3.32Å; Q358-L361 PolarHBondContact O-N 3.19Å; Q358-L361 VanDerWaalsContact O-N 3.15Å; Q358-N362 PolarHBondContact NE2-OD1 3.1Å; Q358-N362 VanDerWaalsContact O-CG 3.3Å; Q358-N362 PolarHBondContact O-N 3.18Å; Q358-N362 PolarHBondContact O-OD1 3.43Å; Q358-L396 HydrophobicContact CB-CD1 4.49Å
359	T	76.2	Confident	73.1	Confident	97 Å²	97	64.4 Å²	64.4	60%	0.595	34%	0.342	S	S	*	.	H	α-helix	trans	-60.8	-41.8	176	-53.8	0	0	0	0	111.8	G355 I357 L361 N362 G363	G355-T359 PolarHBondContact O-N 3.08Å; G355-T359 PolarHBondContact O-OG1 3.21Å; I357-T359 PolarHBondContact O-N 3.25Å; T359-L361 VanDerWaalsContact C-N 3.35Å; T359-L361 PolarHBondContact O-N 2.94Å; T359-N362 PolarHBondContact O-N 2.96Å; T359-G363 PolarHBondContact O-N 3.31Å
360	K	78	Confident	72.4	Confident	130 Å²	130	63.2 Å²	63.2	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-61.7	-39.7	173.8	-74.2	169.5	-176.9	177.1	0	112.5	N356 I357 Q358 L364	N356-K360 WeakPolarHBondContact O-CD 3.36Å; N356-K360 VanDerWaalsContact O-CG 3.28Å; N356-K360 WeakPolarHBondContact O-CG 3.34Å; N356-K360 PolarHBondContact O-N 3.47Å; I357-K360 PolarHBondContact O-N 2.77Å; Q358-K360 VanDerWaalsContact C-N 3.35Å; Q358-K360 PolarHBondContact O-N 3.32Å; K360-L364 WeakPolarHBondContact O-CB 3.28Å; K360-L364 VanDerWaalsContact O-CG 3.29Å; K360-L364 WeakPolarHBondContact O-CG 3.22Å; K360-L364 PolarHBondContact O-N 2.86Å
361	L	73.9	Confident	71.7	Confident	11 Å²	11	65.4 Å²	65.4	6%	0.058	35%	0.347	C	S	.	.	H	α-helix	trans	-69.6	-41.9	177.2	-75.8	171	0	0	0	112.3	I357 Q358 T359 L364 A365 L389 L392 H393 L396	I357-L361 HydrophobicContact CG2-CD1 4.11Å; I357-L361 HydrophobicContact CG2-CG 4.5Å; I357-L361 WeakPolarHBondContact O-CG 3.49Å; I357-L361 PolarHBondContact O-N 2.87Å; Q358-L361 PolarHBondContact O-N 3.19Å; Q358-L361 VanDerWaalsContact O-N 3.15Å; T359-L361 VanDerWaalsContact C-N 3.35Å; T359-L361 PolarHBondContact O-N 2.94Å; L361-L364 PolarHBondContact O-N 3.07Å; L361-A365 WeakPolarHBondContact O-CB 3.31Å; L361-A365 PolarHBondContact O-N 3.34Å; L361-L389 HydrophobicContact CD2-CD2 3.9Å; L361-L392 HydrophobicContact CD1-CB 4.37Å; L361-L392 HydrophobicContact CD2-CB 3.62Å; L361-L392 HydrophobicContact CD2-CD1 4.03Å; L361-L392 HydrophobicContact CD2-CG 4.49Å; L361-L392 HydrophobicContact CG-CB 4.04Å; L361-H393 WeakPolarHBondContact CD2-ND1 3.36Å; L361-L396 HydrophobicContact CD1-CB 4.41Å; L361-L396 HydrophobicContact CD1-CD2 3.86Å
362	N	72.9	Confident	71	Confident	91 Å²	91	73.5 Å²	73.5	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-45.7	175.8	-67.9	5.6	0	0	0	110.9	Q358 T359 L364 A365 E366	Q358-N362 PolarHBondContact NE2-OD1 3.1Å; Q358-N362 VanDerWaalsContact O-CG 3.3Å; Q358-N362 PolarHBondContact O-N 3.18Å; Q358-N362 PolarHBondContact O-OD1 3.43Å; T359-N362 PolarHBondContact O-N 2.96Å; N362-L364 PolarHBondContact O-N 3.09Å; N362-A365 WeakPolarHBondContact O-CB 3.25Å; N362-A365 PolarHBondContact O-N 2.93Å; N362-A365 VanDerWaalsContact O-N 3.15Å; N362-E366 PolarHBondContact O-N 3.26Å
363	G	72.3	Confident	70.1	Confident	44 Å²	44	75.9 Å²	75.9	45%	0.454	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-38.9	175.5	0	0	0	0	0	113.4	T359 H367	T359-G363 PolarHBondContact O-N 3.31Å; G363-H367 WeakPolarHBondContact O-CB 3.47Å; G363-H367 PolarHBondContact O-N 3.01Å
364	L	73.5	Confident	68.7	Low	31 Å²	31	76.3 Å²	76.3	16%	0.162	39%	0.389	C	S	.	.	H	α-helix	trans	-65	-38.4	172.1	-76.2	169.2	0	0	0	112.3	K360 L361 N362 H367 V368 F385 L392	K360-L364 WeakPolarHBondContact O-CB 3.28Å; K360-L364 VanDerWaalsContact O-CG 3.29Å; K360-L364 WeakPolarHBondContact O-CG 3.22Å; K360-L364 PolarHBondContact O-N 2.86Å; L361-L364 PolarHBondContact O-N 3.07Å; N362-L364 PolarHBondContact O-N 3.09Å; L364-H367 PolarHBondContact O-N 3.38Å; L364-V368 VanDerWaalsContact O-CG2 3.3Å; L364-V368 WeakPolarHBondContact O-CG2 3.39Å; L364-V368 PolarHBondContact O-N 3.45Å; L364-F385 HydrophobicContact CD2-CD1 4.25Å; L364-F385 HydrophobicContact CD2-CE1 3.97Å; L364-L392 HydrophobicContact CD1-CD1 3.46Å; L364-L392 VanDerWaalsContact CD1-CD1 3.46Å
365	A	66.9	Low	66.7	Low	57 Å²	57	77.3 Å²	77.3	47%	0.471	40%	0.4	S	S	.	.	H	α-helix	trans	-66	-43.4	179.4	0	0	0	0	0	112.4	L361 N362 V368 K369	L361-A365 WeakPolarHBondContact O-CB 3.31Å; L361-A365 PolarHBondContact O-N 3.34Å; N362-A365 WeakPolarHBondContact O-CB 3.25Å; N362-A365 PolarHBondContact O-N 2.93Å; N362-A365 VanDerWaalsContact O-N 3.15Å; A365-V368 WeakPolarHBondContact O-CB 3.25Å; A365-V368 PolarHBondContact O-N 2.97Å; A365-K369 WeakPolarHBondContact O-CB 3.5Å; A365-K369 PolarHBondContact O-N 2.71Å
366	E	67.8	Low	65.4	Low	90 Å²	90	87 Å²	87	42%	0.421	43%	0.427	S	S	.	.	H	α-helix	trans	-67.1	-37.5	173.1	-75.4	-63.2	141	0	0	111.8	N362 V368 K369 I370	N362-E366 PolarHBondContact O-N 3.26Å; E366-V368 PolarHBondContact O-N 3.4Å; E366-K369 WeakPolarHBondContact O-CB 3.49Å; E366-K369 PolarHBondContact O-N 3.04Å; E366-K369 VanDerWaalsContact O-N 3.13Å; E366-K369 WeakPolarHBondContact OE1-CD 3.4Å; E366-K369 IonicContact OE1-NZ 2.76Å; E366-K369 PolarHBondContact OE1-NZ 3.34Å; E366-K369 WeakPolarHBondContact OE2-CD 3.28Å; E366-K369 IonicContact OE2-NZ 3.26Å; E366-K369 PolarHBondContact OE2-NZ 3.18Å; E366-I370 WeakPolarHBondContact O-CG1 3.24Å; E366-I370 PolarHBondContact O-N 3.06Å
367	H	65.9	Low	64	Low	86 Å²	86	87.3 Å²	87.3	40%	0.398	44%	0.435	S	S	.	.	H	α-helix	trans	-64.2	-36.9	173.4	-168.3	60.9	0	0	0	113	G363 L364 K369 K371 F385	G363-H367 WeakPolarHBondContact O-CB 3.47Å; G363-H367 PolarHBondContact O-N 3.01Å; L364-H367 PolarHBondContact O-N 3.38Å; H367-K369 VanDerWaalsContact C-N 3.35Å; H367-K371 WeakPolarHBondContact O-CB 3.5Å; H367-K371 WeakPolarHBondContact O-CG 3.47Å; H367-K371 PolarHBondContact O-N 2.85Å; H367-F385 AromaticContact CD2-CZ 3.66Å
368	V	61.9	Low	63	Low	29 Å²	29	92.6 Å²	92.6	18%	0.176	46%	0.459	C	S	.	.	H	α-helix	trans	-61.1	-43.5	170.1	169.7	0	0	0	0	111.1	L364 A365 E366 R372 F385	L364-V368 VanDerWaalsContact O-CG2 3.3Å; L364-V368 WeakPolarHBondContact O-CG2 3.39Å; L364-V368 PolarHBondContact O-N 3.45Å; A365-V368 WeakPolarHBondContact O-CB 3.25Å; A365-V368 PolarHBondContact O-N 2.97Å; E366-V368 PolarHBondContact O-N 3.4Å; V368-R372 HydrophobicContact CG1-CG 4.44Å; V368-R372 WeakPolarHBondContact O-CB 3.21Å; V368-R372 VanDerWaalsContact O-CG 3.24Å; V368-R372 WeakPolarHBondContact O-CG 3.49Å; V368-R372 PolarHBondContact O-N 3.28Å; V368-F385 HydrophobicContact CB-CE2 4.4Å; V368-F385 HydrophobicContact CB-CZ 4.31Å; V368-F385 HydrophobicContact CG2-CD1 3.56Å; V368-F385 HydrophobicContact CG2-CD2 3.69Å; V368-F385 HydrophobicContact CG2-CE1 3.45Å; V368-F385 VanDerWaalsContact CG2-CE1 3.45Å; V368-F385 HydrophobicContact CG2-CE2 3.57Å; V368-F385 HydrophobicContact CG2-CG 3.68Å; V368-F385 HydrophobicContact CG2-CZ 3.45Å; V368-F385 VanDerWaalsContact CG2-CZ 3.45Å
369	K	64.7	Low	62.1	Low	105 Å²	105	96.2 Å²	96.2	46%	0.457	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-48.8	-177.9	174.7	176.2	153.4	-135.1	0	111.3	A365 E366 H367 R372 Q373	A365-K369 WeakPolarHBondContact O-CB 3.5Å; A365-K369 PolarHBondContact O-N 2.71Å; E366-K369 WeakPolarHBondContact O-CB 3.49Å; E366-K369 PolarHBondContact O-N 3.04Å; E366-K369 VanDerWaalsContact O-N 3.13Å; E366-K369 WeakPolarHBondContact OE1-CD 3.4Å; E366-K369 IonicContact OE1-NZ 2.76Å; E366-K369 PolarHBondContact OE1-NZ 3.34Å; E366-K369 WeakPolarHBondContact OE2-CD 3.28Å; E366-K369 IonicContact OE2-NZ 3.26Å; E366-K369 PolarHBondContact OE2-NZ 3.18Å; H367-K369 VanDerWaalsContact C-N 3.35Å; K369-R372 PolarHBondContact O-N 3.16Å; K369-Q373 PolarHBondContact O-N 3.13Å
370	I	61.5	Low	61.2	Low	71 Å²	71	101.8 Å²	101.8	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-59.5	-52.8	174.6	-66.5	164.6	0	0	0	110.6	E366 R372 Q373 E374	E366-I370 WeakPolarHBondContact O-CG1 3.24Å; E366-I370 PolarHBondContact O-N 3.06Å; I370-R372 PolarHBondContact O-N 3.05Å; I370-R372 VanDerWaalsContact O-N 3.12Å; I370-Q373 WeakPolarHBondContact O-CB 3.24Å; I370-Q373 PolarHBondContact O-N 3.36Å; I370-E374 HydrophobicContact CG2-CG 4.17Å; I370-E374 VanDerWaalsContact CG2-OE1 3.31Å; I370-E374 WeakPolarHBondContact CG2-OE1 3.36Å; I370-E374 PolarHBondContact O-N 3.07Å
371	K	59.8	Low	60.2	Low	70 Å²	70	98 Å²	98	30%	0.304	48%	0.475	S	S	.	.	H	α-helix	trans	-68	-12.6	-179.1	-68.4	-71.8	166	-154.6	0	114.4	H367 E374 C375 L381	H367-K371 WeakPolarHBondContact O-CB 3.5Å; H367-K371 WeakPolarHBondContact O-CG 3.47Å; H367-K371 PolarHBondContact O-N 2.85Å; K371-E374 VanDerWaalsContact CD-OE2 3.24Å; K371-E374 WeakPolarHBondContact CD-OE2 3.4Å; K371-E374 WeakPolarHBondContact CE-OE2 3.48Å; K371-E374 IonicContact NZ-OE2 2.69Å; K371-E374 PolarHBondContact NZ-OE2 2.99Å; K371-C375 WeakPolarHBondContact O-CB 3.39Å; K371-C375 PolarHBondContact O-N 3.25Å; K371-L381 HydrophobicContact CB-CD1 4.3Å; K371-L381 HydrophobicContact CB-CD2 4.45Å; K371-L381 HydrophobicContact CG-CD2 4.44Å
372	R	56.9	Low	59.5	Low	195 Å²	195	101.5 Å²	101.5	74%	0.736	49%	0.493	S	S	*	.	H	α-helix	trans	-83.1	-22.7	168.1	-81.2	176.4	177.5	-162.8	1.4	113.6	V368 K369 I370	V368-R372 HydrophobicContact CG1-CG 4.44Å; V368-R372 WeakPolarHBondContact O-CB 3.21Å; V368-R372 VanDerWaalsContact O-CG 3.24Å; V368-R372 WeakPolarHBondContact O-CG 3.49Å; V368-R372 PolarHBondContact O-N 3.28Å; K369-R372 PolarHBondContact O-N 3.16Å; I370-R372 PolarHBondContact O-N 3.05Å; I370-R372 VanDerWaalsContact O-N 3.12Å
373	Q	54.9	Low	59	Low	153 Å²	153	103.9 Å²	103.9	72%	0.715	50%	0.499	S	S	*	.	H	α-helix	trans	-85.7	-41.6	174.9	-67.2	173.2	-55.5	0	0	110.5	K369 I370	K369-Q373 PolarHBondContact O-N 3.13Å; I370-Q373 WeakPolarHBondContact O-CB 3.24Å; I370-Q373 PolarHBondContact O-N 3.36Å
374	E	51.1	Low	58.7	Low	109 Å²	109	106.3 Å²	106.3	51%	0.509	50%	0.498	S	S	.	.	H	α-helix	trans	-75.3	-23.9	-179.4	-65.2	173.8	163.4	0	0	114.5	I370 K371	I370-E374 HydrophobicContact CG2-CG 4.17Å; I370-E374 VanDerWaalsContact CG2-OE1 3.31Å; I370-E374 WeakPolarHBondContact CG2-OE1 3.36Å; I370-E374 PolarHBondContact O-N 3.07Å; K371-E374 VanDerWaalsContact CD-OE2 3.24Å; K371-E374 WeakPolarHBondContact CD-OE2 3.4Å; K371-E374 WeakPolarHBondContact CE-OE2 3.48Å; K371-E374 IonicContact NZ-OE2 2.69Å; K371-E374 PolarHBondContact NZ-OE2 2.99Å
375	C	40.5	Very low	58.3	Low	50 Å²	50	105.6 Å²	105.6	34%	0.338	49%	0.494	S	S	.	.	S	Bend	trans	-140.3	137.2	-170.5	-73.1	0	0	0	0	112.8	K371	K371-C375 WeakPolarHBondContact O-CB 3.39Å; K371-C375 PolarHBondContact O-N 3.25Å
376	R	44.4	Very low	58.1	Low	232 Å²	232	107.7 Å²	107.7	88%	0.875	50%	0.497	S	S	*	.	S	Bend	trans	-53.8	144.3	157.8	-79.5	-174.7	172	-175.5	-0.2	109	H378	R376-H378 PolarHBondContact O-N 2.7Å
377	P	50.6	Low	58.3	Low	107 Å²	107	108.8 Å²	108.8	70%	0.695	51%	0.506	S	S	*	.			trans	-65.1	89.9	-163.9	24	-35	0	0	0	113.5	I379 I382	P377-I379 PolarHBondContact O-N 3.25Å; P377-I382 HydrophobicContact CB-CD1 4.09Å
378	H	54.4	Low	58.5	Low	119 Å²	119	109.5 Å²	109.5	55%	0.551	51%	0.508	S	S	*	.			trans	-63.5	121.7	175.3	-97.4	-87.9	0	0	0	110.4	R376 R380 L381 I382	R376-H378 PolarHBondContact O-N 2.7Å; H378-R380 PolarHBondContact O-N 3.38Å; H378-R380 VanDerWaalsContact O-N 3.08Å; H378-L381 HydrophobicContact CB-CB 4.41Å; H378-L381 HydrophobicContact CB-CD1 4.29Å; H378-L381 WeakPolarHBondContact O-CB 3.42Å; H378-L381 PolarHBondContact O-N 2.8Å; H378-I382 PolarHBondContact O-N 3.19Å
379	I	55.3	Low	58.9	Low	143 Å²	143	110.4 Å²	110.4	73%	0.733	51%	0.512	S	S	*	.	H	α-helix	trans	-54.1	-32.8	178	-61.7	170.6	0	0	0	111.4	P377 I382 K383	P377-I379 PolarHBondContact O-N 3.25Å; I379-I382 PolarHBondContact O-N 2.84Å; I379-K383 WeakPolarHBondContact O-CB 3.45Å; I379-K383 PolarHBondContact O-N 2.68Å
380	R	58.3	Low	59.3	Low	215 Å²	215	108.4 Å²	108.4	81%	0.811	51%	0.509	S	S	*	.	H	α-helix	trans	-62.1	-43.7	174.4	-64.5	-174.3	-177.5	-175.7	0.6	112.9	H378 K383 H384	H378-R380 PolarHBondContact O-N 3.38Å; H378-R380 VanDerWaalsContact O-N 3.08Å; R380-K383 PolarHBondContact O-N 3.02Å; R380-H384 WeakPolarHBondContact O-CB 3.46Å; R380-H384 PolarHBondContact O-N 3.25Å
381	L	57.7	Low	59.9	Low	49 Å²	49	109.1 Å²	109.1	26%	0.257	52%	0.517	S	S	.	.	H	α-helix	trans	-65	-46.5	176.4	-93.8	158.4	0	0	0	110.9	K371 H378 K383 H384 F385	K371-L381 HydrophobicContact CB-CD1 4.3Å; K371-L381 HydrophobicContact CB-CD2 4.45Å; K371-L381 HydrophobicContact CG-CD2 4.44Å; H378-L381 HydrophobicContact CB-CB 4.41Å; H378-L381 HydrophobicContact CB-CD1 4.29Å; H378-L381 WeakPolarHBondContact O-CB 3.42Å; H378-L381 PolarHBondContact O-N 2.8Å; L381-K383 VanDerWaalsContact C-N 3.33Å; L381-K383 PolarHBondContact O-N 3Å; L381-H384 WeakPolarHBondContact O-CB 3.46Å; L381-H384 PolarHBondContact O-N 3Å; L381-H384 VanDerWaalsContact O-N 3.14Å; L381-F385 HydrophobicContact CD2-CD2 4.48Å; L381-F385 HydrophobicContact CD2-CE2 3.67Å; L381-F385 HydrophobicContact CD2-CZ 4.24Å; L381-F385 WeakPolarHBondContact O-CD2 3.13Å; L381-F385 PolarHBondContact O-N 3.09Å
382	I	58.7	Low	60.7	Low	85 Å²	85	107 Å²	107	44%	0.436	51%	0.509	S	S	.	.	H	α-helix	trans	-59.2	-44.6	176.6	-64.4	172.3	0	0	0	110.8	P377 H378 I379 H384 F385 N386	P377-I382 HydrophobicContact CB-CD1 4.09Å; H378-I382 PolarHBondContact O-N 3.19Å; I379-I382 PolarHBondContact O-N 2.84Å; I382-H384 VanDerWaalsContact C-N 3.34Å; I382-H384 PolarHBondContact O-N 3.45Å; I382-F385 PolarHBondContact O-N 3.19Å; I382-N386 WeakPolarHBondContact O-CB 3.37Å; I382-N386 VanDerWaalsContact O-CG 3.24Å; I382-N386 PolarHBondContact O-N 2.92Å
383	K	63	Low	61.5	Low	141 Å²	141	102.9 Å²	102.9	61%	0.613	50%	0.498	S	S	*	.	H	α-helix	trans	-62.9	-38	176	-166.9	176.2	-177.6	-177.5	0	112.3	I379 R380 L381 N387	I379-K383 WeakPolarHBondContact O-CB 3.45Å; I379-K383 PolarHBondContact O-N 2.68Å; R380-K383 PolarHBondContact O-N 3.02Å; L381-K383 VanDerWaalsContact C-N 3.33Å; L381-K383 PolarHBondContact O-N 3Å; K383-N387 PolarHBondContact O-N 2.89Å; K383-N387 PolarHBondContact O-OD1 2.95Å
384	H	65.7	Low	62.6	Low	95 Å²	95	103.1 Å²	103.1	44%	0.44	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-47.4	177	-168.2	94.1	0	0	0	112.2	R380 L381 I382 N387 K388	R380-H384 WeakPolarHBondContact O-CB 3.46Å; R380-H384 PolarHBondContact O-N 3.25Å; L381-H384 WeakPolarHBondContact O-CB 3.46Å; L381-H384 PolarHBondContact O-N 3Å; L381-H384 VanDerWaalsContact O-N 3.14Å; I382-H384 VanDerWaalsContact C-N 3.34Å; I382-H384 PolarHBondContact O-N 3.45Å; H384-N387 PolarHBondContact O-N 3.5Å; H384-K388 PolarHBondContact CE1-NZ 3.5Å; H384-K388 VanDerWaalsContact NE2-CE 3.26Å; H384-K388 WeakPolarHBondContact NE2-CE 3.4Å; H384-K388 PolarHBondContact NE2-NZ 3.01Å; H384-K388 PolarHBondContact O-N 3.43Å
385	F	63.8	Low	63.9	Low	16 Å²	16	102.7 Å²	102.7	7%	0.07	49%	0.494	C	S	.	.	H	α-helix	trans	-67.7	-40.2	177	-68.2	-64	0	0	0	112.5	L364 H367 V368 L381 I382 N387 K388 L389	L364-F385 HydrophobicContact CD2-CD1 4.25Å; L364-F385 HydrophobicContact CD2-CE1 3.97Å; H367-F385 AromaticContact CD2-CZ 3.66Å; V368-F385 HydrophobicContact CB-CE2 4.4Å; V368-F385 HydrophobicContact CB-CZ 4.31Å; V368-F385 HydrophobicContact CG2-CD1 3.56Å; V368-F385 HydrophobicContact CG2-CD2 3.69Å; V368-F385 HydrophobicContact CG2-CE1 3.45Å; V368-F385 VanDerWaalsContact CG2-CE1 3.45Å; V368-F385 HydrophobicContact CG2-CE2 3.57Å; V368-F385 HydrophobicContact CG2-CG 3.68Å; V368-F385 HydrophobicContact CG2-CZ 3.45Å; V368-F385 VanDerWaalsContact CG2-CZ 3.45Å; L381-F385 HydrophobicContact CD2-CD2 4.48Å; L381-F385 HydrophobicContact CD2-CE2 3.67Å; L381-F385 HydrophobicContact CD2-CZ 4.24Å; L381-F385 WeakPolarHBondContact O-CD2 3.13Å; L381-F385 PolarHBondContact O-N 3.09Å; I382-F385 PolarHBondContact O-N 3.19Å; F385-N387 PolarHBondContact O-N 3.39Å; F385-K388 PolarHBondContact O-N 3.27Å; F385-K388 VanDerWaalsContact O-N 3.13Å; F385-L389 HydrophobicContact CB-CD1 4.1Å; F385-L389 WeakPolarHBondContact O-CB 3.4Å; F385-L389 WeakPolarHBondContact O-CG 3.46Å; F385-L389 PolarHBondContact O-N 3.4Å
386	N	64	Low	65.6	Low	102 Å²	102	101.7 Å²	101.7	55%	0.545	49%	0.486	S	S	.	.	H	α-helix	trans	-61.9	-24.3	176.1	-75.9	-3	0	0	0	113.2	I382 P390	I382-N386 WeakPolarHBondContact O-CB 3.37Å; I382-N386 VanDerWaalsContact O-CG 3.24Å; I382-N386 PolarHBondContact O-N 2.92Å; N386-P390 WeakPolarHBondContact O-CD 3.47Å; N386-P390 WeakPolarHBondContact O-CG 3.06Å
387	N	71.4	Confident	66.9	Low	112 Å²	112	93 Å²	93	60%	0.599	46%	0.463	S	S	*	.	H	α-helix	trans	-82.4	-36.4	173.4	-73.1	4.2	0	0	0	112.8	K383 H384 F385	K383-N387 PolarHBondContact O-N 2.89Å; K383-N387 PolarHBondContact O-OD1 2.95Å; H384-N387 PolarHBondContact O-N 3.5Å; F385-N387 PolarHBondContact O-N 3.39Å
388	K	69.9	Low	68.2	Low	101 Å²	101	90.3 Å²	90.3	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-88.4	-31.8	-174.9	-75.5	-175.7	173.1	174.1	0	115.1	H384 F385 T391	H384-K388 PolarHBondContact CE1-NZ 3.5Å; H384-K388 VanDerWaalsContact NE2-CE 3.26Å; H384-K388 WeakPolarHBondContact NE2-CE 3.4Å; H384-K388 PolarHBondContact NE2-NZ 3.01Å; H384-K388 PolarHBondContact O-N 3.43Å; F385-K388 PolarHBondContact O-N 3.27Å; F385-K388 VanDerWaalsContact O-N 3.13Å; K388-T391 PolarHBondContact O-OG1 3.34Å; K388-T391 VanDerWaalsContact O-OG1 3.08Å
389	L	71.3	Confident	69.2	Low	49 Å²	49	85.6 Å²	85.6	26%	0.257	43%	0.426	S	S	.	.	H	α-helix	trans	-67.1	-44.9	-178.6	-74.2	165.3	0	0	0	113.5	L361 F385 T391 L392 H393	L361-L389 HydrophobicContact CD2-CD2 3.9Å; F385-L389 HydrophobicContact CB-CD1 4.1Å; F385-L389 WeakPolarHBondContact O-CB 3.4Å; F385-L389 WeakPolarHBondContact O-CG 3.46Å; F385-L389 PolarHBondContact O-N 3.4Å; L389-T391 VanDerWaalsContact C-N 3.35Å; L389-T391 PolarHBondContact O-N 2.6Å; L389-L392 PolarHBondContact O-N 2.9Å; L389-H393 WeakPolarHBondContact O-CB 3.46Å; L389-H393 PolarHBondContact O-N 2.93Å
390	P	71.5	Confident	70.1	Confident	63 Å²	63	81 Å²	81	41%	0.409	41%	0.407	S	S	.	.	H	α-helix	trans	-68.9	-28.1	-173.7	-22.9	35.7	0	0	0	114.5	N386 K394	N386-P390 WeakPolarHBondContact O-CD 3.47Å; N386-P390 WeakPolarHBondContact O-CG 3.06Å; P390-K394 WeakPolarHBondContact O-CB 3.42Å; P390-K394 WeakPolarHBondContact O-CD 3.47Å; P390-K394 WeakPolarHBondContact O-CG 3.32Å; P390-K394 PolarHBondContact O-N 3.18Å; P390-K394 VanDerWaalsContact O-N 3.11Å
391	T	75.8	Confident	70.8	Confident	86 Å²	86	80.5 Å²	80.5	53%	0.528	41%	0.405	S	S	.	.	H	α-helix	trans	-71.1	-52.1	175.4	46.8	0	0	0	0	110.5	K388 L389 H393 K394 E395	K388-T391 PolarHBondContact O-OG1 3.34Å; K388-T391 VanDerWaalsContact O-OG1 3.08Å; L389-T391 VanDerWaalsContact C-N 3.35Å; L389-T391 PolarHBondContact O-N 2.6Å; T391-H393 VanDerWaalsContact C-N 3.33Å; T391-H393 PolarHBondContact O-N 3.11Å; T391-K394 PolarHBondContact O-N 3.41Å; T391-K394 VanDerWaalsContact O-N 3.13Å; T391-E395 WeakPolarHBondContact O-CB 3.42Å; T391-E395 PolarHBondContact O-N 2.96Å
392	L	75.3	Confident	71.6	Confident	26 Å²	26	82.9 Å²	82.9	14%	0.136	42%	0.417	C	S	.	.	H	α-helix	trans	-60.8	-38.5	177.6	-67.5	171.7	0	0	0	112.5	I357 L361 L364 L389 E395 L396	I357-L392 HydrophobicContact CG2-CB 4.37Å; I357-L392 HydrophobicContact CG2-CD2 4.24Å; L361-L392 HydrophobicContact CD1-CB 4.37Å; L361-L392 HydrophobicContact CD2-CB 3.62Å; L361-L392 HydrophobicContact CD2-CD1 4.03Å; L361-L392 HydrophobicContact CD2-CG 4.49Å; L361-L392 HydrophobicContact CG-CB 4.04Å; L364-L392 HydrophobicContact CD1-CD1 3.46Å; L364-L392 VanDerWaalsContact CD1-CD1 3.46Å; L389-L392 PolarHBondContact O-N 2.9Å; L392-E395 PolarHBondContact O-N 3.26Å; L392-L396 VanDerWaalsContact O-CB 3.27Å; L392-L396 WeakPolarHBondContact O-CB 2.9Å; L392-L396 PolarHBondContact O-N 2.68Å
393	H	74.4	Confident	72.3	Confident	107 Å²	107	79.3 Å²	79.3	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-65.8	-41	173.1	-79.2	10.9	0	0	0	113	L361 L389 T391 A397	L361-H393 WeakPolarHBondContact CD2-ND1 3.36Å; L389-H393 WeakPolarHBondContact O-CB 3.46Å; L389-H393 PolarHBondContact O-N 2.93Å; T391-H393 VanDerWaalsContact C-N 3.33Å; T391-H393 PolarHBondContact O-N 3.11Å; H393-A397 VanDerWaalsContact O-CB 3.24Å; H393-A397 WeakPolarHBondContact O-CB 3.45Å; H393-A397 PolarHBondContact O-N 2.89Å
394	K	76.6	Confident	72.5	Confident	159 Å²	159	75.2 Å²	75.2	69%	0.691	39%	0.391	S	S	*	.	H	α-helix	trans	-64	-41.3	174.6	-78.9	171.9	179.6	179.7	0	111.7	P390 T391 S398	P390-K394 WeakPolarHBondContact O-CB 3.42Å; P390-K394 WeakPolarHBondContact O-CD 3.47Å; P390-K394 WeakPolarHBondContact O-CG 3.32Å; P390-K394 PolarHBondContact O-N 3.18Å; P390-K394 VanDerWaalsContact O-N 3.11Å; T391-K394 PolarHBondContact O-N 3.41Å; T391-K394 VanDerWaalsContact O-N 3.13Å; K394-S398 WeakPolarHBondContact O-CB 3.47Å; K394-S398 PolarHBondContact O-N 3.09Å
395	E	79	Confident	72.6	Confident	99 Å²	99	71.7 Å²	71.7	46%	0.463	38%	0.38	S	S	.	.	H	α-helix	trans	-67.6	-49.5	179.8	-161	-179.2	174.1	0	0	111	I357 T391 L392 A397 S398 L399	I357-E395 HydrophobicContact CD1-CB 3.9Å; I357-E395 HydrophobicContact CD1-CG 3.44Å; I357-E395 VanDerWaalsContact CD1-CG 3.44Å; T391-E395 WeakPolarHBondContact O-CB 3.42Å; T391-E395 PolarHBondContact O-N 2.96Å; L392-E395 PolarHBondContact O-N 3.26Å; E395-A397 PolarHBondContact O-N 3.49Å; E395-S398 WeakPolarHBondContact O-CA 3.44Å; E395-S398 WeakPolarHBondContact O-CB 3.42Å; E395-S398 PolarHBondContact O-N 2.72Å; E395-S398 PolarHBondContact O-OG 3.32Å; E395-L399 PolarHBondContact O-N 3.31Å
396	L	76.9	Confident	72.9	Confident	30 Å²	30	71.9 Å²	71.9	16%	0.157	38%	0.382	C	S	.	.	H	α-helix	trans	-54	-50.5	172.8	-174.5	75.3	0	0	0	111.6	R354 I357 Q358 L361 L392 S398 L399 S400	R354-L396 HydrophobicContact CG-CD1 3.9Å; I357-L396 HydrophobicContact CB-CD1 4.37Å; I357-L396 HydrophobicContact CG2-CB 3.93Å; I357-L396 HydrophobicContact CG2-CD1 4.17Å; Q358-L396 HydrophobicContact CB-CD1 4.49Å; L361-L396 HydrophobicContact CD1-CB 4.41Å; L361-L396 HydrophobicContact CD1-CD2 3.86Å; L392-L396 VanDerWaalsContact O-CB 3.27Å; L392-L396 WeakPolarHBondContact O-CB 2.9Å; L392-L396 PolarHBondContact O-N 2.68Å; L396-S398 PolarHBondContact O-N 2.74Å; L396-L399 PolarHBondContact O-N 2.92Å; L396-S400 PolarHBondContact O-N 2.82Å; L396-S400 PolarHBondContact O-OG 3.08Å
397	A	71.6	Confident	73.1	Confident	48 Å²	48	68.3 Å²	68.3	40%	0.397	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-26.9	178.4	0	0	0	0	0	113	H393 E395 R401	H393-A397 VanDerWaalsContact O-CB 3.24Å; H393-A397 WeakPolarHBondContact O-CB 3.45Å; H393-A397 PolarHBondContact O-N 2.89Å; E395-A397 PolarHBondContact O-N 3.49Å; A397-R401 WeakPolarHBondContact O-CD 3.49Å; A397-R401 WeakPolarHBondContact O-CG 3.21Å; A397-R401 PolarHBondContact O-N 2.89Å
398	S	77.2	Confident	72.9	Confident	52 Å²	52	67.7 Å²	67.7	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-75.7	-42.2	173.5	80.6	0	0	0	0	112.3	K394 E395 L396 R401 L402	K394-S398 WeakPolarHBondContact O-CB 3.47Å; K394-S398 PolarHBondContact O-N 3.09Å; E395-S398 WeakPolarHBondContact O-CA 3.44Å; E395-S398 WeakPolarHBondContact O-CB 3.42Å; E395-S398 PolarHBondContact O-N 2.72Å; E395-S398 PolarHBondContact O-OG 3.32Å; L396-S398 PolarHBondContact O-N 2.74Å; S398-R401 PolarHBondContact O-N 3.38Å; S398-L402 WeakPolarHBondContact O-CG 3.37Å; S398-L402 PolarHBondContact O-N 3.04Å
399	L	76.1	Confident	72.7	Confident	19 Å²	19	65.4 Å²	65.4	10%	0.099	35%	0.346	C	S	.	.	H	α-helix	trans	-67.1	-45.6	177.5	-67.5	-178.1	0	0	0	111.5	I350 K353 R354 I357 E395 L396 R401 L402 E403	I350-L399 HydrophobicContact CG2-CB 4.48Å; I350-L399 HydrophobicContact CG2-CD2 4.41Å; K353-L399 HydrophobicContact CB-CD1 3.78Å; R354-L399 HydrophobicContact CB-CB 4.26Å; R354-L399 HydrophobicContact CB-CD1 4.36Å; I357-L399 HydrophobicContact CD1-CD1 3.66Å; E395-L399 PolarHBondContact O-N 3.31Å; L396-L399 PolarHBondContact O-N 2.92Å; L399-R401 VanDerWaalsContact C-N 3.25Å; L399-R401 PolarHBondContact O-N 3.37Å; L399-L402 HydrophobicContact CD2-CD1 4.45Å; L399-L402 PolarHBondContact O-N 3.42Å; L399-L402 VanDerWaalsContact O-N 3.09Å; L399-E403 WeakPolarHBondContact O-CB 3.34Å; L399-E403 PolarHBondContact O-N 3.32Å
400	S	73.6	Confident	72.5	Confident	48 Å²	48	63.2 Å²	63.2	34%	0.336	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-33	176.9	-58.1	0	0	0	0	112.7	L396 A404	L396-S400 PolarHBondContact O-N 2.82Å; L396-S400 PolarHBondContact O-OG 3.08Å; S400-A404 VanDerWaalsContact O-CB 3.25Å; S400-A404 WeakPolarHBondContact O-CB 3.19Å; S400-A404 PolarHBondContact O-N 3.42Å
401	R	73.3	Confident	72.1	Confident	204 Å²	204	62.3 Å²	62.3	77%	0.77	33%	0.325	S	S	*	.	H	α-helix	trans	-70.8	-40.1	173	-75.6	173.9	-177.3	-164.1	0.4	112.5	A397 S398 L399 G405	A397-R401 WeakPolarHBondContact O-CD 3.49Å; A397-R401 WeakPolarHBondContact O-CG 3.21Å; A397-R401 PolarHBondContact O-N 2.89Å; S398-R401 PolarHBondContact O-N 3.38Å; L399-R401 VanDerWaalsContact C-N 3.25Å; L399-R401 PolarHBondContact O-N 3.37Å; R401-G405 PolarHBondContact O-N 3.01Å; R401-G405 VanDerWaalsContact O-N 3.07Å
402	L	73.9	Confident	71.7	Confident	99 Å²	99	63 Å²	63	52%	0.518	32%	0.321	S	S	.	.	H	α-helix	trans	-66	-45.4	175.7	-73	167.4	0	0	0	111.2	I350 S398 L399 G405 L406	I350-L402 HydrophobicContact CD1-CB 4.25Å; I350-L402 HydrophobicContact CG2-CB 4.41Å; S398-L402 WeakPolarHBondContact O-CG 3.37Å; S398-L402 PolarHBondContact O-N 3.04Å; L399-L402 HydrophobicContact CD2-CD1 4.45Å; L399-L402 PolarHBondContact O-N 3.42Å; L399-L402 VanDerWaalsContact O-N 3.09Å; L402-G405 PolarHBondContact O-N 2.91Å; L402-L406 WeakPolarHBondContact O-CB 3.07Å; L402-L406 PolarHBondContact O-N 3.48Å
403	E	73.1	Confident	71.2	Confident	10 Å²	10	61.9 Å²	61.9	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-59.3	-54.1	176.4	-170.8	-161.8	173.8	0	0	111.4	L347 I350 R354 L399 G405 L406 R407	L347-E403 HydrophobicContact CD1-CG 3.8Å; I350-E403 HydrophobicContact CG2-CB 3.83Å; R354-E403 WeakPolarHBondContact CD-OE2 3.39Å; R354-E403 IonicContact CZ-OE1 3.55Å; R354-E403 VanDerWaalsContact CZ-OE1 3.32Å; R354-E403 IonicContact CZ-OE2 3.55Å; R354-E403 IonicContact NE-OE2 2.68Å; R354-E403 PolarHBondContact NE-OE2 3.12Å; R354-E403 IonicContact NH1-OE1 2.65Å; R354-E403 PolarHBondContact NH1-OE1 3.04Å; R354-E403 IonicContact NH1-OE2 2.7Å; R354-E403 PolarHBondContact NH1-OE2 2.86Å; R354-E403 IonicContact NH2-OE1 2.62Å; L399-E403 WeakPolarHBondContact O-CB 3.34Å; L399-E403 PolarHBondContact O-N 3.32Å; E403-G405 VanDerWaalsContact C-N 3.29Å; E403-G405 PolarHBondContact O-N 3.18Å; E403-L406 PolarHBondContact O-N 2.93Å; E403-R407 HydrophobicContact CG-CG 4.46Å; E403-R407 WeakPolarHBondContact O-CG 3.48Å; E403-R407 PolarHBondContact O-N 3.31Å; E403-R407 IonicContact OE1-CZ 2.67Å; E403-R407 VanDerWaalsContact OE1-CZ 3.26Å; E403-R407 IonicContact OE1-NE 3.98Å; E403-R407 PolarHBondContact OE1-NE 2.88Å; E403-R407 IonicContact OE1-NH2 2.77Å; E403-R407 PolarHBondContact OE1-NH2 3.08Å
404	A	67.3	Low	70.8	Confident	54 Å²	54	57.9 Å²	57.9	45%	0.446	30%	0.298	S	S	.	.	H	α-helix	trans	-59.2	-41.3	178.9	0	0	0	0	0	111.7	S400 L406 M408	S400-A404 VanDerWaalsContact O-CB 3.25Å; S400-A404 WeakPolarHBondContact O-CB 3.19Å; S400-A404 PolarHBondContact O-N 3.42Å; A404-L406 PolarHBondContact O-N 3.48Å; A404-M408 WeakPolarHBondContact O-CB 3.24Å; A404-M408 VanDerWaalsContact O-CG 3.28Å; A404-M408 WeakPolarHBondContact O-CG 3.41Å; A404-M408 PolarHBondContact O-N 2.85Å
405	G	68.2	Low	70.3	Confident	21 Å²	21	55 Å²	55	22%	0.216	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-42.6	173.1	0	0	0	0	0	112.8	R401 L402 E403 M408 K409	R401-G405 PolarHBondContact O-N 3.01Å; R401-G405 VanDerWaalsContact O-N 3.07Å; L402-G405 PolarHBondContact O-N 2.91Å; E403-G405 VanDerWaalsContact C-N 3.29Å; E403-G405 PolarHBondContact O-N 3.18Å; G405-M408 PolarHBondContact O-N 3.12Å; G405-K409 WeakPolarHBondContact O-CG 3.25Å; G405-K409 PolarHBondContact O-N 2.91Å
406	L	70.9	Confident	69.6	Low	20 Å²	20	51.7 Å²	51.7	11%	0.105	27%	0.272	C	S	.	.	H	α-helix	trans	-78.9	-35.2	-175.9	-148.4	146	0	0	0	112.7	L343 K346 L347 I350 L402 E403 A404 K409 L410	L343-L406 HydrophobicContact CB-CD2 4.24Å; L343-L406 HydrophobicContact CD2-CD2 4.45Å; K346-L406 HydrophobicContact CB-CD1 4.34Å; L347-L406 HydrophobicContact CB-CD2 3.83Å; I350-L406 HydrophobicContact CD1-CD1 4.12Å; L402-L406 WeakPolarHBondContact O-CB 3.07Å; L402-L406 PolarHBondContact O-N 3.48Å; E403-L406 PolarHBondContact O-N 2.93Å; A404-L406 PolarHBondContact O-N 3.48Å; L406-K409 PolarHBondContact O-N 3.3Å; L406-L410 HydrophobicContact CD2-CD1 3.94Å; L406-L410 HydrophobicContact CD2-CG 4.49Å; L406-L410 PolarHBondContact O-N 2.9Å
407	R	68.7	Low	69.1	Low	27 Å²	27	50.5 Å²	50.5	10%	0.102	27%	0.265	C	S	.	.	H	α-helix	trans	-56.5	-48.6	165.1	-70.1	-168.3	-170.3	-117.3	-3.6	110.2	L347 E403 K409 L410 I411 I463 E466	L347-R407 HydrophobicContact CD1-CG 3.69Å; L347-R407 HydrophobicContact CD2-CG 3.98Å; E403-R407 HydrophobicContact CG-CG 4.46Å; E403-R407 WeakPolarHBondContact O-CG 3.48Å; E403-R407 PolarHBondContact O-N 3.31Å; E403-R407 IonicContact OE1-CZ 2.67Å; E403-R407 VanDerWaalsContact OE1-CZ 3.26Å; E403-R407 IonicContact OE1-NE 3.98Å; E403-R407 PolarHBondContact OE1-NE 2.88Å; E403-R407 IonicContact OE1-NH2 2.77Å; E403-R407 PolarHBondContact OE1-NH2 3.08Å; R407-K409 VanDerWaalsContact C-N 3.32Å; R407-K409 PolarHBondContact O-N 3.12Å; R407-L410 PolarHBondContact O-N 3.23Å; R407-L410 VanDerWaalsContact O-N 3.14Å; R407-I411 WeakPolarHBondContact O-CG1 3.41Å; R407-I411 PolarHBondContact O-N 2.68Å; R407-I463 HydrophobicContact CG-CG2 4.46Å; R407-I463 PolarHBondContact NH1-O 2.97Å; R407-E466 IonicContact CZ-OE2 3.55Å; R407-E466 IonicContact NH1-OE2 2.68Å; R407-E466 PolarHBondContact NH1-OE2 2.99Å; R407-E466 IonicContact NH2-OE1 3.45Å; R407-E466 PolarHBondContact NH2-OE1 3.35Å; R407-E466 IonicContact NH2-OE2 2.66Å; R407-E466 PolarHBondContact NH2-OE2 3.39Å
408	M	65.9	Low	68.7	Low	100 Å²	100	50.2 Å²	50.2	49%	0.493	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-29.5	177.6	-74.7	-59.3	-58.5	0	0	114.4	A404 G405 I411 K412	A404-M408 WeakPolarHBondContact O-CB 3.24Å; A404-M408 VanDerWaalsContact O-CG 3.28Å; A404-M408 WeakPolarHBondContact O-CG 3.41Å; A404-M408 PolarHBondContact O-N 2.85Å; G405-M408 PolarHBondContact O-N 3.12Å; M408-I411 HydrophobicContact SD-CD1 4.12Å; M408-K412 WeakPolarHBondContact O-CG 3.45Å; M408-K412 PolarHBondContact O-N 3.49Å
409	K	66.2	Low	68.1	Low	53 Å²	53	51.2 Å²	51.2	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-47.2	170.2	-68.2	-177.6	-152.8	-163.1	0	111.5	Q299 G405 L406 R407 K412 L413	Q299-K409 HydrophobicContact CB-CD 4.14Å; Q299-K409 VanDerWaalsContact CB-CE 3.48Å; Q299-K409 HydrophobicContact CB-CG 4.33Å; Q299-K409 PolarHBondContact O-NZ 3.01Å; G405-K409 WeakPolarHBondContact O-CG 3.25Å; G405-K409 PolarHBondContact O-N 2.91Å; L406-K409 PolarHBondContact O-N 3.3Å; R407-K409 VanDerWaalsContact C-N 3.32Å; R407-K409 PolarHBondContact O-N 3.12Å; K409-K412 PolarHBondContact O-N 3.08Å; K409-L413 WeakPolarHBondContact O-CG 3.34Å; K409-L413 PolarHBondContact O-N 3.49Å
410	L	66.7	Low	67.3	Low	2 Å²	2	50.5 Å²	50.5	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-46.4	-179.4	-76.8	163.6	0	0	0	111	I340 L343 M344 L347 L406 R407 K412 L413 V414 M460	I340-L410 HydrophobicContact CB-CD2 4.4Å; I340-L410 HydrophobicContact CG1-CD2 4.31Å; I340-L410 HydrophobicContact CG2-CD2 4.09Å; L343-L410 HydrophobicContact CB-CD2 3.84Å; L343-L410 HydrophobicContact CB-CG 4.32Å; M344-L410 HydrophobicContact CG-CD2 4.23Å; L347-L410 HydrophobicContact CB-CD1 4.18Å; L347-L410 HydrophobicContact CD2-CD1 3.76Å; L406-L410 HydrophobicContact CD2-CD1 3.94Å; L406-L410 HydrophobicContact CD2-CG 4.49Å; L406-L410 PolarHBondContact O-N 2.9Å; R407-L410 PolarHBondContact O-N 3.23Å; R407-L410 VanDerWaalsContact O-N 3.14Å; L410-K412 VanDerWaalsContact C-N 3.34Å; L410-K412 PolarHBondContact O-N 3.12Å; L410-L413 PolarHBondContact O-N 3.36Å; L410-V414 WeakPolarHBondContact O-CB 3.47Å; L410-V414 VanDerWaalsContact O-CG2 3.23Å; L410-V414 WeakPolarHBondContact O-CG2 3.4Å; L410-V414 PolarHBondContact O-N 3.34Å; L410-M460 HydrophobicContact CB-SD 4.29Å
411	I	63.9	Low	66.7	Low	45 Å²	45	50.9 Å²	50.9	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-52.8	-49.7	173.8	-67.3	165.1	0	0	0	110.9	R407 M408 L413 V414 Q415 M460	R407-I411 WeakPolarHBondContact O-CG1 3.41Å; R407-I411 PolarHBondContact O-N 2.68Å; M408-I411 HydrophobicContact SD-CD1 4.12Å; I411-L413 PolarHBondContact O-N 2.99Å; I411-V414 PolarHBondContact O-N 3.49Å; I411-Q415 HydrophobicContact CG2-CG 4.43Å; I411-Q415 WeakPolarHBondContact O-CB 3.41Å; I411-Q415 VanDerWaalsContact O-CG 3.31Å; I411-Q415 WeakPolarHBondContact O-CG 3.45Å; I411-Q415 PolarHBondContact O-N 3.05Å; I411-M460 HydrophobicContact CG1-CE 3.7Å
412	K	66.7	Low	66.1	Low	101 Å²	101	47.1 Å²	47.1	44%	0.439	25%	0.246	S	C	.	.	H	α-helix	trans	-66.4	-37	179.6	-72.8	-170.1	175.6	-161.4	0	114	M408 K409 L410 V414 H416	M408-K412 WeakPolarHBondContact O-CG 3.45Å; M408-K412 PolarHBondContact O-N 3.49Å; K409-K412 PolarHBondContact O-N 3.08Å; L410-K412 VanDerWaalsContact C-N 3.34Å; L410-K412 PolarHBondContact O-N 3.12Å; K412-V414 VanDerWaalsContact C-N 3.32Å; K412-H416 WeakPolarHBondContact O-CB 3.33Å; K412-H416 PolarHBondContact O-CD2 3.38Å; K412-H416 PolarHBondContact O-N 3.02Å
413	L	65.4	Low	65.3	Low	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-33.4	175.8	-70	166	0	0	0	111.8	I297 L336 I339 I340 L343 K409 L410 I411 H416 L417	I297-L413 HydrophobicContact CD1-CD2 4.34Å; L336-L413 HydrophobicContact CD2-CD2 3.63Å; I339-L413 HydrophobicContact CG2-CD1 3.7Å; I339-L413 HydrophobicContact CG2-CD2 4.47Å; I340-L413 HydrophobicContact CD1-CB 4.12Å; I340-L413 HydrophobicContact CG1-CB 3.95Å; I340-L413 HydrophobicContact CG1-CD1 4.46Å; L343-L413 HydrophobicContact CD1-CD1 3.61Å; K409-L413 WeakPolarHBondContact O-CG 3.34Å; K409-L413 PolarHBondContact O-N 3.49Å; L410-L413 PolarHBondContact O-N 3.36Å; I411-L413 PolarHBondContact O-N 2.99Å; L413-H416 PolarHBondContact O-N 3.36Å; L413-L417 WeakPolarHBondContact O-CB 3.48Å; L413-L417 PolarHBondContact O-N 2.98Å
414	V	64.9	Low	64.5	Low	22 Å²	22	46.3 Å²	46.3	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-77.4	-39.6	177.8	172.2	0	0	0	0	111.6	I340 L410 I411 K412 H416 L417 A418 V456 M460	I340-V414 HydrophobicContact CD1-CG2 3.77Å; I340-V414 HydrophobicContact CG1-CG2 4.45Å; L410-V414 WeakPolarHBondContact O-CB 3.47Å; L410-V414 VanDerWaalsContact O-CG2 3.23Å; L410-V414 WeakPolarHBondContact O-CG2 3.4Å; L410-V414 PolarHBondContact O-N 3.34Å; I411-V414 PolarHBondContact O-N 3.49Å; K412-V414 VanDerWaalsContact C-N 3.32Å; V414-H416 VanDerWaalsContact C-N 3.29Å; V414-H416 PolarHBondContact O-N 3.5Å; V414-L417 WeakPolarHBondContact O-CB 3.47Å; V414-L417 PolarHBondContact O-N 3.44Å; V414-L417 VanDerWaalsContact O-N 3.1Å; V414-A418 WeakPolarHBondContact O-CB 3.38Å; V414-A418 PolarHBondContact O-N 2.99Å; V414-V456 HydrophobicContact CG2-CG1 3.77Å; V414-M460 HydrophobicContact CB-CG 4.43Å; V414-M460 HydrophobicContact CG1-CG 4.16Å; V414-M460 HydrophobicContact CG2-CG 3.82Å; V414-M460 HydrophobicContact CG2-SD 4.13Å
415	Q	67.5	Low	64	Low	100 Å²	100	52.2 Å²	52.2	47%	0.467	25%	0.25	S	C	.	.	H	α-helix	trans	-55	-47.8	166.2	-74.8	171.1	-28	0	0	110.3	I411 L417 A418 E419	I411-Q415 HydrophobicContact CG2-CG 4.43Å; I411-Q415 WeakPolarHBondContact O-CB 3.41Å; I411-Q415 VanDerWaalsContact O-CG 3.31Å; I411-Q415 WeakPolarHBondContact O-CG 3.45Å; I411-Q415 PolarHBondContact O-N 3.05Å; Q415-L417 VanDerWaalsContact C-N 3.28Å; Q415-L417 PolarHBondContact O-N 2.91Å; Q415-A418 PolarHBondContact O-N 2.87Å; Q415-E419 WeakPolarHBondContact O-CB 3.23Å; Q415-E419 WeakPolarHBondContact O-CG 3.48Å; Q415-E419 PolarHBondContact O-N 3.48Å
416	H	64.7	Low	63.3	Low	29 Å²	29	55.7 Å²	55.7	13%	0.134	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-30.3	176.2	-74.2	-38.7	0	0	0	113.8	R290 I294 L336 K412 L413 V414 E419 S420	R290-H416 VanDerWaalsContact NH2-CA 3.3Å; R290-H416 PolarHBondContact NH2-O 2.88Å; I294-H416 HydrophobicContact CD1-CB 4.48Å; L336-H416 HydrophobicContact CD1-CB 4.13Å; L336-H416 HydrophobicContact CD2-CB 4.36Å; K412-H416 WeakPolarHBondContact O-CB 3.33Å; K412-H416 PolarHBondContact O-CD2 3.38Å; K412-H416 PolarHBondContact O-N 3.02Å; L413-H416 PolarHBondContact O-N 3.36Å; V414-H416 VanDerWaalsContact C-N 3.29Å; V414-H416 PolarHBondContact O-N 3.5Å; H416-E419 IonicContact ND1-OE2 2.65Å; H416-S420 WeakPolarHBondContact O-CB 3.47Å; H416-S420 PolarHBondContact O-N 3.01Å; H416-S420 PolarHBondContact O-OG 2.86Å
417	L	65.8	Low	62.3	Low	4 Å²	4	56.7 Å²	56.7	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-71.6	-49.6	175.4	-175.9	61.3	0	0	0	111.5	A333 L336 V337 I340 L413 V414 Q415 S420 E421 I453 V456	A333-L417 HydrophobicContact CB-CD1 3.93Å; L336-L417 HydrophobicContact CB-CD1 4.2Å; L336-L417 HydrophobicContact CD1-CB 4.26Å; L336-L417 HydrophobicContact CD1-CD1 4.39Å; V337-L417 HydrophobicContact CG2-CD1 4.06Å; V337-L417 HydrophobicContact CG2-CD2 3.84Å; I340-L417 HydrophobicContact CD1-CD2 4.11Å; L413-L417 WeakPolarHBondContact O-CB 3.48Å; L413-L417 PolarHBondContact O-N 2.98Å; V414-L417 WeakPolarHBondContact O-CB 3.47Å; V414-L417 PolarHBondContact O-N 3.44Å; V414-L417 VanDerWaalsContact O-N 3.1Å; Q415-L417 VanDerWaalsContact C-N 3.28Å; Q415-L417 PolarHBondContact O-N 2.91Å; L417-S420 WeakPolarHBondContact O-CA 3.28Å; L417-S420 WeakPolarHBondContact O-CB 3.48Å; L417-S420 PolarHBondContact O-N 3.42Å; L417-E421 PolarHBondContact O-N 3.06Å; L417-I453 HydrophobicContact CD1-CG1 4.37Å; L417-I453 HydrophobicContact CD2-CG1 4.22Å; L417-I453 HydrophobicContact CG-CG1 4.39Å; L417-V456 HydrophobicContact CD2-CG1 4.41Å
418	A	63	Low	61.3	Low	42 Å²	42	58.7 Å²	58.7	35%	0.347	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-45.5	-178.8	0	0	0	0	0	112.6	V414 Q415 S420 E421 E422	V414-A418 WeakPolarHBondContact O-CB 3.38Å; V414-A418 PolarHBondContact O-N 2.99Å; Q415-A418 PolarHBondContact O-N 2.87Å; A418-S420 PolarHBondContact O-N 3.36Å; A418-E421 WeakPolarHBondContact O-CB 3.26Å; A418-E421 PolarHBondContact O-N 2.99Å; A418-E422 PolarHBondContact O-N 3.15Å
419	E	63.4	Low	60.5	Low	74 Å²	74	58.3 Å²	58.3	35%	0.346	30%	0.296	S	S	.	.	H	α-helix	trans	-61.7	-25.7	172.1	-73.1	167.5	-148.1	0	0	112.7	R290 Q415 H416 Q423	R290-E419 IonicContact CZ-OE2 3.3Å; R290-E419 IonicContact NH1-OE2 3.53Å; R290-E419 PolarHBondContact NH1-OE2 3.29Å; R290-E419 IonicContact NH2-OE2 2.83Å; R290-E419 PolarHBondContact NH2-OE2 3.46Å; Q415-E419 WeakPolarHBondContact O-CB 3.23Å; Q415-E419 WeakPolarHBondContact O-CG 3.48Å; Q415-E419 PolarHBondContact O-N 3.48Å; H416-E419 IonicContact ND1-OE2 2.65Å; E419-Q423 VanDerWaalsContact O-CG 3.28Å; E419-Q423 WeakPolarHBondContact O-CG 3.45Å; E419-Q423 PolarHBondContact O-N 2.86Å
420	S	60.6	Low	59.5	Low	3 Å²	3	61.7 Å²	61.7	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-80.2	-34	175.7	-55.1	0	0	0	0	111.9	R290 M332 H416 L417 A418 F424	R290-S420 PolarHBondContact NE-OG 3.42Å; M332-S420 WeakPolarHBondContact CE-OG 3.26Å; H416-S420 WeakPolarHBondContact O-CB 3.47Å; H416-S420 PolarHBondContact O-N 3.01Å; H416-S420 PolarHBondContact O-OG 2.86Å; L417-S420 WeakPolarHBondContact O-CA 3.28Å; L417-S420 WeakPolarHBondContact O-CB 3.48Å; L417-S420 PolarHBondContact O-N 3.42Å; A418-S420 PolarHBondContact O-N 3.36Å; S420-F424 WeakPolarHBondContact O-CB 3.38Å; S420-F424 PolarHBondContact O-N 2.98Å
421	E	60.5	Low	58.5	Low	56 Å²	56	69.4 Å²	69.4	26%	0.262	35%	0.352	S	S	.	.	H	α-helix	trans	-66.5	-40.2	171.6	-176.8	-170.8	179.2	0	0	111.2	L417 A418 F424 R425 I453 K457	L417-E421 PolarHBondContact O-N 3.06Å; A418-E421 WeakPolarHBondContact O-CB 3.26Å; A418-E421 PolarHBondContact O-N 2.99Å; E421-F424 WeakPolarHBondContact O-CB 3.49Å; E421-F424 PolarHBondContact O-N 2.87Å; E421-R425 PolarHBondContact O-N 3.49Å; E421-I453 WeakPolarHBondContact OE2-CG2 3.5Å; E421-K457 IonicContact OE1-NZ 3.61Å; E421-K457 PolarHBondContact OE1-NZ 2.9Å; E421-K457 WeakPolarHBondContact OE2-CE 3.16Å; E421-K457 IonicContact OE2-NZ 2.79Å; E421-K457 PolarHBondContact OE2-NZ 3.48Å
422	E	60.4	Low	57.4	Low	126 Å²	126	72.1 Å²	72.1	59%	0.589	38%	0.381	S	S	*	.	H	α-helix	trans	-62.6	-45.8	173	-175.4	170.8	-146.8	0	0	111.7	A418 F424 R425 L426	A418-E422 PolarHBondContact O-N 3.15Å; E422-F424 VanDerWaalsContact C-N 3.3Å; E422-F424 PolarHBondContact O-N 3.07Å; E422-R425 PolarHBondContact O-N 2.98Å; E422-L426 HydrophobicContact CG-CD1 4.31Å; E422-L426 WeakPolarHBondContact O-CG 3.43Å; E422-L426 PolarHBondContact O-N 3.36Å
423	Q	58.5	Low	56.2	Low	47 Å²	47	75.8 Å²	75.8	22%	0.22	40%	0.4	C	S	.	.	H	α-helix	trans	-60.8	-37.1	172.4	-75.2	178.2	-16.5	0	0	112.5	L329 E419 A427	L329-Q423 HydrophobicContact CD1-CB 4.44Å; L329-Q423 HydrophobicContact CD2-CB 4.07Å; E419-Q423 VanDerWaalsContact O-CG 3.28Å; E419-Q423 WeakPolarHBondContact O-CG 3.45Å; E419-Q423 PolarHBondContact O-N 2.86Å; Q423-A427 VanDerWaalsContact O-CB 3.3Å; Q423-A427 WeakPolarHBondContact O-CB 3.31Å; Q423-A427 PolarHBondContact O-N 3.39Å
424	F	56.2	Low	54.8	Low	44 Å²	44	85.2 Å²	85.2	19%	0.193	44%	0.444	C	S	.	.	H	α-helix	trans	-66.7	-38.6	174.5	-166.9	-82.5	0	0	0	112	K326 L329 S420 E421 E422 S428 L446	K326-F424 HydrophobicContact CB-CE2 4.36Å; K326-F424 HydrophobicContact CD-CZ 4.3Å; K326-F424 HydrophobicContact CG-CD2 4.37Å; K326-F424 HydrophobicContact CG-CE2 3.45Å; K326-F424 VanDerWaalsContact CG-CE2 3.45Å; K326-F424 HydrophobicContact CG-CZ 3.56Å; L329-F424 HydrophobicContact CB-CD2 3.86Å; L329-F424 HydrophobicContact CD1-CB 4.11Å; L329-F424 HydrophobicContact CD1-CD2 4.18Å; S420-F424 WeakPolarHBondContact O-CB 3.38Å; S420-F424 PolarHBondContact O-N 2.98Å; E421-F424 WeakPolarHBondContact O-CB 3.49Å; E421-F424 PolarHBondContact O-N 2.87Å; E422-F424 VanDerWaalsContact C-N 3.3Å; E422-F424 PolarHBondContact O-N 3.07Å; F424-S428 WeakPolarHBondContact O-CB 3.32Å; F424-S428 PolarHBondContact O-N 3.3Å; F424-S428 PolarHBondContact O-OG 3.48Å; F424-L446 HydrophobicContact CE1-CD2 3.97Å; F424-L446 HydrophobicContact CZ-CD2 3.96Å
425	R	56.8	Low	53.8	Low	179 Å²	179	90.4 Å²	90.4	68%	0.675	48%	0.475	S	S	*	.	H	α-helix	trans	-67.3	-45.8	177.5	-156.6	-174.2	80.3	147.4	5.7	111.5	E421 E422 S428 T429	E421-R425 PolarHBondContact O-N 3.49Å; E422-R425 PolarHBondContact O-N 2.98Å; R425-S428 PolarHBondContact O-N 3.07Å; R425-S428 VanDerWaalsContact O-N 3.09Å; R425-S428 PolarHBondContact O-OG 2.88Å; R425-T429 PolarHBondContact O-N 2.91Å
426	L	53.8	Low	52.4	Low	93 Å²	93	92.7 Å²	92.7	49%	0.487	49%	0.49	S	S	.	.	H	α-helix	trans	-61.7	-46.5	176.2	-67.9	166.9	0	0	0	111.5	E422 S428 T429	E422-L426 HydrophobicContact CG-CD1 4.31Å; E422-L426 WeakPolarHBondContact O-CG 3.43Å; E422-L426 PolarHBondContact O-N 3.36Å; L426-S428 PolarHBondContact O-N 3.01Å; L426-T429 PolarHBondContact O-N 3.43Å; L426-T429 PolarHBondContact O-OG1 3.02Å
427	A	48.7	Very low	50.9	Low	41 Å²	41	98.5 Å²	98.5	34%	0.339	52%	0.523	S	S	.	.	H	α-helix	trans	-65.3	-9	175.1	0	0	0	0	0	114.2	L283 Q423	L283-A427 HydrophobicContact CD2-CB 4.38Å; Q423-A427 VanDerWaalsContact O-CB 3.3Å; Q423-A427 WeakPolarHBondContact O-CB 3.31Å; Q423-A427 PolarHBondContact O-N 3.39Å
428	S	47.5	Very low	49.4	Very low	70 Å²	70	102.3 Å²	102.3	49%	0.49	55%	0.55	S	S	.	.	H	α-helix	trans	-99.6	-10.4	176.9	73.8	0	0	0	0	114.6	F424 R425 L426	F424-S428 WeakPolarHBondContact O-CB 3.32Å; F424-S428 PolarHBondContact O-N 3.3Å; F424-S428 PolarHBondContact O-OG 3.48Å; R425-S428 PolarHBondContact O-N 3.07Å; R425-S428 VanDerWaalsContact O-N 3.09Å; R425-S428 PolarHBondContact O-OG 2.88Å; L426-S428 PolarHBondContact O-N 3.01Å
429	T	49.7	Very low	48.3	Very low	92 Å²	92	111.8 Å²	111.8	56%	0.564	58%	0.577	S	S	*	*	H	α-helix	trans	-94.2	-24.5	179.5	48.7	0	0	0	0	114.2	R425 L426	R425-T429 PolarHBondContact O-N 2.91Å; L426-T429 PolarHBondContact O-N 3.43Å; L426-T429 PolarHBondContact O-OG1 3.02Å
430	D	45.2	Very low	47.3	Very low	123 Å²	123	112.7 Å²	112.7	66%	0.658	59%	0.589	S	S	*	*	S	Bend	trans	-99.3	-3.8	-165.8	-61.3	2.2	0	0	0	113.4
431	H	45.6	Very low	46.4	Very low	164 Å²	164	114.6 Å²	114.6	76%	0.759	60%	0.598	S	S	*	*			trans	-131	84.9	-178.5	-64.9	-15.3	0	0	0	110.7
432	A	40.4	Very low	45.9	Very low	102 Å²	102	115 Å²	115	84%	0.843	61%	0.605	S	S	*	*			trans	-96.9	0.1	178	0	0	0	0	0	113.9
433	E	41.9	Very low	45.5	Very low	178 Å²	178	117.5 Å²	117.5	83%	0.832	62%	0.617	S	S	*	*	S	Bend	trans	-109.5	119.6	-172.6	-66	-178.9	158.8	0	0	112.1
434	E	36.4	Very low	45.3	Very low	200 Å²	200	122.3 Å²	122.3	94%	0.935	64%	0.639	S	S	*	*			trans	24.3	90.7	148.8	-56.7	-175.4	165.1	0	0	119
435	V	44.1	Very low	45	Very low	132 Å²	132	124.5 Å²	124.5	80%	0.8	65%	0.65	S	S	*	*			trans	-137	134.6	151.8	-175.6	0	0	0	0	109.9
436	D	36.5	Very low	44.7	Very low	147 Å²	147	118 Å²	118	79%	0.786	63%	0.628	S	S	*	*			trans	-90.9	165.1	-162.7	-153.9	2.6	0	0	0	115.3	S438	D436-S438 PolarHBondContact O-N 3.4Å
437	D	34.2	Very low	44.7	Very low	152 Å²	152	116.1 Å²	116.1	81%	0.813	63%	0.626	S	S	*	*			trans	13.8	86.4	165.9	-113.1	-9.8	0	0	0	120
438	S	34.4	Very low	44.9	Very low	84 Å²	84	119.2 Å²	119.2	59%	0.587	64%	0.636	S	S	*	*	S	Bend	trans	-151.3	122.3	137.7	54.9	0	0	0	0	110.3	D436 P440	D436-S438 PolarHBondContact O-N 3.4Å; S438-P440 VanDerWaalsContact O-CD 3.29Å; S438-P440 WeakPolarHBondContact O-CD 3.42Å
439	R	40.4	Very low	45	Very low	241 Å²	241	118.7 Å²	118.7	91%	0.909	63%	0.626	S	S	*	*			trans	-30.8	102.4	-168.6	-87.9	-169.7	175.4	-168.7	-1.4	113.2
440	P	40.7	Very low	45.3	Very low	92 Å²	92	119.5 Å²	119.5	60%	0.597	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-61.6	157	161.8	28.4	-34.1	0	0	0	108.5	S438 T442	S438-P440 VanDerWaalsContact O-CD 3.29Å; S438-P440 WeakPolarHBondContact O-CD 3.42Å; P440-T442 PolarHBondContact O-N 2.89Å
441	L	42.5	Very low	46.2	Very low	44 Å²	44	118.1 Å²	118.1	23%	0.23	61%	0.613	C	S	.	*	P	Polyproline II helix	trans	-51.8	133.7	165.7	-69.4	120.9	0	0	0	108.4	T330 E445 L446	T330-L441 HydrophobicContact CG2-CD1 3.69Å; T330-L441 HydrophobicContact CG2-CD2 3.84Å; T330-L441 HydrophobicContact CG2-CG 4.42Å; T330-L441 WeakPolarHBondContact OG1-CD1 3.43Å; L441-E445 VanDerWaalsContact CA-OE2 3.27Å; L441-E445 WeakPolarHBondContact CA-OE2 3.43Å; L441-E445 HydrophobicContact CB-CB 4.07Å; L441-E445 HydrophobicContact CD2-CB 4.08Å; L441-L446 HydrophobicContact CB-CG 4.43Å
442	T	50.7	Low	46.6	Very low	64 Å²	64	111.1 Å²	111.1	39%	0.393	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-59.7	156.3	-178.1	73.4	0	0	0	0	109.5	P440 E444 E445 L446	P440-T442 PolarHBondContact O-N 2.89Å; T442-E444 PolarHBondContact O-N 3.32Å; T442-E444 VanDerWaalsContact O-N 3.11Å; T442-E444 PolarHBondContact OG1-N 2.93Å; T442-E445 PolarHBondContact N-OE2 2.98Å; T442-E445 PolarHBondContact O-N 3.13Å; T442-E445 WeakPolarHBondContact OG1-CG 3.35Å; T442-E445 PolarHBondContact OG1-N 3.23Å; T442-L446 PolarHBondContact O-N 2.92Å
443	Q	51.5	Low	47.1	Very low	179 Å²	179	107 Å²	107	84%	0.836	55%	0.547	S	S	*	.	H	α-helix	trans	-59.4	-26.3	177.3	-163	167.7	-1.7	0	0	111.4	A447	Q443-A447 VanDerWaalsContact O-CB 3.24Å; Q443-A447 WeakPolarHBondContact O-CB 3.23Å; Q443-A447 PolarHBondContact O-N 2.84Å
444	E	54.8	Low	48	Very low	147 Å²	147	103.1 Å²	103.1	69%	0.687	53%	0.529	S	S	*	.	H	α-helix	trans	-70.2	-46.3	169.4	-55.2	178.5	127.4	0	0	112.9	T442 L446 A447 L448	T442-E444 PolarHBondContact O-N 3.32Å; T442-E444 VanDerWaalsContact O-N 3.11Å; T442-E444 PolarHBondContact OG1-N 2.93Å; E444-L446 VanDerWaalsContact C-N 3.32Å; E444-L446 PolarHBondContact O-N 3.41Å; E444-A447 PolarHBondContact O-N 3.46Å; E444-L448 VanDerWaalsContact O-CB 3.3Å; E444-L448 WeakPolarHBondContact O-CB 3.21Å; E444-L448 VanDerWaalsContact O-CG 3.22Å; E444-L448 WeakPolarHBondContact O-CG 3.38Å; E444-L448 PolarHBondContact O-N 3.35Å
445	E	49	Very low	49.3	Very low	90 Å²	90	99 Å²	99	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-39.7	176.2	-73.2	174.1	145	0	0	111.6	L441 T442 L448 H449	L441-E445 VanDerWaalsContact CA-OE2 3.27Å; L441-E445 WeakPolarHBondContact CA-OE2 3.43Å; L441-E445 HydrophobicContact CB-CB 4.07Å; L441-E445 HydrophobicContact CD2-CB 4.08Å; T442-E445 PolarHBondContact N-OE2 2.98Å; T442-E445 PolarHBondContact O-N 3.13Å; T442-E445 WeakPolarHBondContact OG1-CG 3.35Å; T442-E445 PolarHBondContact OG1-N 3.23Å; E445-L448 PolarHBondContact O-N 2.98Å; E445-H449 WeakPolarHBondContact O-CB 3.42Å; E445-H449 PolarHBondContact O-CD2 3.25Å; E445-H449 VanDerWaalsContact O-CD2 3.25Å; E445-H449 VanDerWaalsContact O-CG 3.32Å; E445-H449 PolarHBondContact O-N 3.17Å
446	L	50.6	Low	49.8	Very low	44 Å²	44	93 Å²	93	23%	0.23	47%	0.471	C	S	.	.	H	α-helix	trans	-63.8	-46.4	173	-105.2	161.9	0	0	0	111.7	F424 L441 T442 E444 H449 Q450	F424-L446 HydrophobicContact CE1-CD2 3.97Å; F424-L446 HydrophobicContact CZ-CD2 3.96Å; L441-L446 HydrophobicContact CB-CG 4.43Å; T442-L446 PolarHBondContact O-N 2.92Å; E444-L446 VanDerWaalsContact C-N 3.32Å; E444-L446 PolarHBondContact O-N 3.41Å; L446-H449 PolarHBondContact O-N 3.16Å; L446-Q450 WeakPolarHBondContact O-CG 3.24Å; L446-Q450 PolarHBondContact O-N 2.94Å
447	A	54.9	Low	50.8	Low	52 Å²	52	89.1 Å²	89.1	43%	0.43	45%	0.447	S	S	.	.	H	α-helix	trans	-63.2	-41.8	175.7	0	0	0	0	0	112.3	Q443 E444 H449 Q450 E451	Q443-A447 VanDerWaalsContact O-CB 3.24Å; Q443-A447 WeakPolarHBondContact O-CB 3.23Å; Q443-A447 PolarHBondContact O-N 2.84Å; E444-A447 PolarHBondContact O-N 3.46Å; A447-H449 VanDerWaalsContact C-N 3.32Å; A447-H449 PolarHBondContact O-N 3.41Å; A447-Q450 PolarHBondContact O-N 3.45Å; A447-E451 VanDerWaalsContact O-CB 3.29Å; A447-E451 WeakPolarHBondContact O-CB 3.48Å; A447-E451 PolarHBondContact O-N 2.88Å
448	L	52.4	Low	52.1	Low	106 Å²	106	86.5 Å²	86.5	56%	0.555	43%	0.433	S	S	*	.	H	α-helix	trans	-65.5	-32.9	175.3	-74.6	166.9	0	0	0	112.2	E444 E445 A452	E444-L448 VanDerWaalsContact O-CB 3.3Å; E444-L448 WeakPolarHBondContact O-CB 3.21Å; E444-L448 VanDerWaalsContact O-CG 3.22Å; E444-L448 WeakPolarHBondContact O-CG 3.38Å; E444-L448 PolarHBondContact O-N 3.35Å; E445-L448 PolarHBondContact O-N 2.98Å; L448-A452 WeakPolarHBondContact O-CB 3.46Å; L448-A452 PolarHBondContact O-N 3.02Å
449	H	49.8	Very low	53.4	Low	60 Å²	60	88.8 Å²	88.8	28%	0.278	43%	0.429	S	S	.	.	H	α-helix	trans	-71.3	-43.3	171.9	-76.2	-32	0	0	0	112.4	T334 E445 L446 A447 A452 I453	T334-H449 WeakPolarHBondContact CG2-CE1 3.14Å; E445-H449 WeakPolarHBondContact O-CB 3.42Å; E445-H449 PolarHBondContact O-CD2 3.25Å; E445-H449 VanDerWaalsContact O-CD2 3.25Å; E445-H449 VanDerWaalsContact O-CG 3.32Å; E445-H449 PolarHBondContact O-N 3.17Å; L446-H449 PolarHBondContact O-N 3.16Å; A447-H449 VanDerWaalsContact C-N 3.32Å; A447-H449 PolarHBondContact O-N 3.41Å; H449-A452 PolarHBondContact O-N 2.96Å; H449-I453 WeakPolarHBondContact O-CB 3.4Å; H449-I453 WeakPolarHBondContact O-CD1 3.15Å; H449-I453 VanDerWaalsContact O-CG1 3.22Å; H449-I453 WeakPolarHBondContact O-CG1 3.25Å; H449-I453 PolarHBondContact O-N 3.5Å
450	Q	56.1	Low	54	Low	108 Å²	108	77.8 Å²	77.8	51%	0.505	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-44.4	173.6	-71.4	177	-58.5	0	0	111.2	L446 A447 A452 I453 E454	L446-Q450 WeakPolarHBondContact O-CG 3.24Å; L446-Q450 PolarHBondContact O-N 2.94Å; A447-Q450 PolarHBondContact O-N 3.45Å; Q450-A452 VanDerWaalsContact C-N 3.32Å; Q450-A452 PolarHBondContact O-N 2.65Å; Q450-I453 PolarHBondContact O-N 3.05Å; Q450-I453 VanDerWaalsContact O-N 3.11Å; Q450-E454 WeakPolarHBondContact O-CG 3.18Å; Q450-E454 PolarHBondContact O-N 3.04Å
451	E	64.1	Low	54.9	Low	95 Å²	95	74.9 Å²	74.9	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-38.8	175.4	-161.3	-140.5	-157.3	0	0	112	A447 K455	A447-E451 VanDerWaalsContact O-CB 3.29Å; A447-E451 WeakPolarHBondContact O-CB 3.48Å; A447-E451 PolarHBondContact O-N 2.88Å; E451-K455 HydrophobicContact CG-CD 4.36Å; E451-K455 VanDerWaalsContact O-CB 3.28Å; E451-K455 WeakPolarHBondContact O-CB 3.45Å; E451-K455 WeakPolarHBondContact O-CG 2.97Å; E451-K455 PolarHBondContact O-N 3.39Å; E451-K455 VanDerWaalsContact OE1-CE 3.26Å; E451-K455 WeakPolarHBondContact OE1-CE 3.44Å; E451-K455 IonicContact OE1-NZ 3.58Å; E451-K455 PolarHBondContact OE1-NZ 2.79Å; E451-K455 WeakPolarHBondContact OE2-CE 3.43Å; E451-K455 IonicContact OE2-NZ 2.96Å; E451-K455 PolarHBondContact OE2-NZ 2.97Å
452	A	52.5	Low	55.8	Low	16 Å²	16	77.5 Å²	77.5	13%	0.132	38%	0.377	C	S	.	.	H	α-helix	trans	-69.2	-33.7	174.1	0	0	0	0	0	113.2	L448 H449 Q450 V456	L448-A452 WeakPolarHBondContact O-CB 3.46Å; L448-A452 PolarHBondContact O-N 3.02Å; H449-A452 PolarHBondContact O-N 2.96Å; Q450-A452 VanDerWaalsContact C-N 3.32Å; Q450-A452 PolarHBondContact O-N 2.65Å; A452-V456 WeakPolarHBondContact O-CG2 3.43Å; A452-V456 PolarHBondContact O-N 3.13Å
453	I	52	Low	56.2	Low	16 Å²	16	75.4 Å²	75.4	8%	0.082	36%	0.363	C	S	.	.	H	α-helix	trans	-70	-47.5	174.9	-73.2	163.9	0	0	0	110.2	L417 E421 H449 Q450 K455 V456 K457	L417-I453 HydrophobicContact CD1-CG1 4.37Å; L417-I453 HydrophobicContact CD2-CG1 4.22Å; L417-I453 HydrophobicContact CG-CG1 4.39Å; E421-I453 WeakPolarHBondContact OE2-CG2 3.5Å; H449-I453 WeakPolarHBondContact O-CB 3.4Å; H449-I453 WeakPolarHBondContact O-CD1 3.15Å; H449-I453 VanDerWaalsContact O-CG1 3.22Å; H449-I453 WeakPolarHBondContact O-CG1 3.25Å; H449-I453 PolarHBondContact O-N 3.5Å; Q450-I453 PolarHBondContact O-N 3.05Å; Q450-I453 VanDerWaalsContact O-N 3.11Å; I453-K455 PolarHBondContact O-N 2.96Å; I453-V456 CarbonylContact O-C 3.56Å; I453-V456 WeakPolarHBondContact O-CA 3.3Å; I453-V456 WeakPolarHBondContact O-CB 3.12Å; I453-V456 PolarHBondContact O-N 3.29Å; I453-K457 HydrophobicContact CG2-CD 4.03Å; I453-K457 VanDerWaalsContact CG2-CE 3.44Å; I453-K457 HydrophobicContact CG2-CG 4.44Å; I453-K457 PolarHBondContact O-N 2.8Å
454	E	60.1	Low	56.5	Low	97 Å²	97	71.1 Å²	71.1	45%	0.453	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-41.4	176.4	-67.1	-47.9	134.8	0	0	111.9	Q450 V456 K457 L458	Q450-E454 WeakPolarHBondContact O-CG 3.18Å; Q450-E454 PolarHBondContact O-N 3.04Å; E454-V456 PolarHBondContact O-N 3.49Å; E454-K457 PolarHBondContact O-N 3.14Å; E454-K457 VanDerWaalsContact O-N 3.15Å; E454-K457 WeakPolarHBondContact OE1-CD 3.42Å; E454-K457 IonicContact OE1-NZ 3.53Å; E454-K457 PolarHBondContact OE1-NZ 3.26Å; E454-K457 VanDerWaalsContact OE2-CD 3.29Å; E454-K457 WeakPolarHBondContact OE2-CD 3.43Å; E454-L458 VanDerWaalsContact O-CB 3.29Å; E454-L458 WeakPolarHBondContact O-CB 3.36Å; E454-L458 PolarHBondContact O-N 3.46Å
455	K	63.7	Low	56.7	Low	113 Å²	113	64.3 Å²	64.3	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-26.2	171.5	-76.5	170.7	-179.2	172.9	0	113.1	E451 I453 R459	E451-K455 HydrophobicContact CG-CD 4.36Å; E451-K455 VanDerWaalsContact O-CB 3.28Å; E451-K455 WeakPolarHBondContact O-CB 3.45Å; E451-K455 WeakPolarHBondContact O-CG 2.97Å; E451-K455 PolarHBondContact O-N 3.39Å; E451-K455 VanDerWaalsContact OE1-CE 3.26Å; E451-K455 WeakPolarHBondContact OE1-CE 3.44Å; E451-K455 IonicContact OE1-NZ 3.58Å; E451-K455 PolarHBondContact OE1-NZ 2.79Å; E451-K455 WeakPolarHBondContact OE2-CE 3.43Å; E451-K455 IonicContact OE2-NZ 2.96Å; E451-K455 PolarHBondContact OE2-NZ 2.97Å; I453-K455 PolarHBondContact O-N 2.96Å; K455-R459 VanDerWaalsContact O-CB 3.24Å; K455-R459 WeakPolarHBondContact O-CB 3.42Å; K455-R459 PolarHBondContact O-N 2.87Å
456	V	54.2	Low	57.4	Low	5 Å²	5	62.5 Å²	62.5	3%	0.03	30%	0.304	C	S	.	.	H	α-helix	trans	-81.3	-44.5	172.1	167	0	0	0	0	111.3	I340 V414 L417 A452 I453 E454 R459 M460	I340-V456 HydrophobicContact CD1-CG1 4.32Å; I340-V456 HydrophobicContact CG2-CG1 4.12Å; I340-V456 HydrophobicContact CG2-CG2 4.02Å; V414-V456 HydrophobicContact CG2-CG1 3.77Å; L417-V456 HydrophobicContact CD2-CG1 4.41Å; A452-V456 WeakPolarHBondContact O-CG2 3.43Å; A452-V456 PolarHBondContact O-N 3.13Å; I453-V456 CarbonylContact O-C 3.56Å; I453-V456 WeakPolarHBondContact O-CA 3.3Å; I453-V456 WeakPolarHBondContact O-CB 3.12Å; I453-V456 PolarHBondContact O-N 3.29Å; E454-V456 PolarHBondContact O-N 3.49Å; V456-R459 PolarHBondContact O-N 3.47Å; V456-M460 HydrophobicContact CG1-CG 4.43Å; V456-M460 WeakPolarHBondContact O-CB 3.47Å; V456-M460 VanDerWaalsContact O-CG 3.32Å; V456-M460 WeakPolarHBondContact O-CG 3.46Å; V456-M460 PolarHBondContact O-N 3.19Å
457	K	57.5	Low	57.9	Low	66 Å²	66	62.1 Å²	62.1	29%	0.287	31%	0.306	S	S	.	.	H	α-helix	trans	-57.6	-51.6	175.8	-71.5	167.1	179.2	169.3	0	111.5	E421 I453 E454 R459 M460 S461	E421-K457 IonicContact OE1-NZ 3.61Å; E421-K457 PolarHBondContact OE1-NZ 2.9Å; E421-K457 WeakPolarHBondContact OE2-CE 3.16Å; E421-K457 IonicContact OE2-NZ 2.79Å; E421-K457 PolarHBondContact OE2-NZ 3.48Å; I453-K457 HydrophobicContact CG2-CD 4.03Å; I453-K457 VanDerWaalsContact CG2-CE 3.44Å; I453-K457 HydrophobicContact CG2-CG 4.44Å; I453-K457 PolarHBondContact O-N 2.8Å; E454-K457 PolarHBondContact O-N 3.14Å; E454-K457 VanDerWaalsContact O-N 3.15Å; E454-K457 WeakPolarHBondContact OE1-CD 3.42Å; E454-K457 IonicContact OE1-NZ 3.53Å; E454-K457 PolarHBondContact OE1-NZ 3.26Å; E454-K457 VanDerWaalsContact OE2-CD 3.29Å; E454-K457 WeakPolarHBondContact OE2-CD 3.43Å; K457-R459 VanDerWaalsContact C-N 3.34Å; K457-R459 PolarHBondContact O-N 3.37Å; K457-M460 PolarHBondContact O-N 2.87Å; K457-M460 VanDerWaalsContact O-N 3.15Å; K457-S461 PolarHBondContact O-N 3.22Å
458	L	62.4	Low	58.3	Low	98 Å²	98	62.6 Å²	62.6	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-56.5	-45.6	176.7	-172.9	78.2	0	0	0	111.8	E454 M460 S461 Y462 E544	E454-L458 VanDerWaalsContact O-CB 3.29Å; E454-L458 WeakPolarHBondContact O-CB 3.36Å; E454-L458 PolarHBondContact O-N 3.46Å; L458-M460 VanDerWaalsContact C-N 3.31Å; L458-M460 PolarHBondContact O-N 3.22Å; L458-S461 WeakPolarHBondContact O-CB 3.45Å; L458-S461 PolarHBondContact O-N 3.44Å; L458-Y462 PolarHBondContact O-N 2.86Å; L458-E544 VanDerWaalsContact CD1-OE2 3.3Å; L458-E544 WeakPolarHBondContact CD1-OE2 3.3Å
459	R	61	Low	58.8	Low	131 Å²	131	58.1 Å²	58.1	49%	0.494	28%	0.278	S	S	.	.	H	α-helix	trans	-74.9	-20.6	-179	-160.3	164.7	-174.4	162.3	0.6	113.1	M344 K455 V456 K457 I463	M344-R459 HydrophobicContact SD-CG 4.32Å; K455-R459 VanDerWaalsContact O-CB 3.24Å; K455-R459 WeakPolarHBondContact O-CB 3.42Å; K455-R459 PolarHBondContact O-N 2.87Å; V456-R459 PolarHBondContact O-N 3.47Å; K457-R459 VanDerWaalsContact C-N 3.34Å; K457-R459 PolarHBondContact O-N 3.37Å; R459-I463 WeakPolarHBondContact O-CD1 3.48Å; R459-I463 VanDerWaalsContact O-CG1 3.28Å; R459-I463 WeakPolarHBondContact O-CG1 3.27Å; R459-I463 PolarHBondContact O-N 3.13Å
460	M	54.3	Low	59.6	Low	10 Å²	10	58.1 Å²	58.1	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-77.9	-41.5	167.8	-75.7	-64.4	-55.4	0	0	112.2	L410 I411 V414 V456 K457 L458 Y462 I463 E464	L410-M460 HydrophobicContact CB-SD 4.29Å; I411-M460 HydrophobicContact CG1-CE 3.7Å; V414-M460 HydrophobicContact CB-CG 4.43Å; V414-M460 HydrophobicContact CG1-CG 4.16Å; V414-M460 HydrophobicContact CG2-CG 3.82Å; V414-M460 HydrophobicContact CG2-SD 4.13Å; V456-M460 HydrophobicContact CG1-CG 4.43Å; V456-M460 WeakPolarHBondContact O-CB 3.47Å; V456-M460 VanDerWaalsContact O-CG 3.32Å; V456-M460 WeakPolarHBondContact O-CG 3.46Å; V456-M460 PolarHBondContact O-N 3.19Å; K457-M460 PolarHBondContact O-N 2.87Å; K457-M460 VanDerWaalsContact O-N 3.15Å; L458-M460 VanDerWaalsContact C-N 3.31Å; L458-M460 PolarHBondContact O-N 3.22Å; M460-Y462 PolarHBondContact O-N 2.89Å; M460-I463 PolarHBondContact O-N 2.92Å; M460-I463 HydrophobicContact SD-CD1 4.12Å; M460-E464 WeakPolarHBondContact O-CG 3.46Å; M460-E464 PolarHBondContact O-N 3.22Å
461	S	59.7	Low	60.1	Low	32 Å²	32	58.8 Å²	58.8	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-53.5	-41	169.5	-176.8	0	0	0	0	111.1	K457 L458 E464 T465	K457-S461 PolarHBondContact O-N 3.22Å; L458-S461 WeakPolarHBondContact O-CB 3.45Å; L458-S461 PolarHBondContact O-N 3.44Å; S461-E464 PolarHBondContact O-N 2.77Å; S461-T465 WeakPolarHBondContact O-CB 3.45Å; S461-T465 WeakPolarHBondContact O-CG2 3.31Å; S461-T465 PolarHBondContact O-N 2.97Å; S461-T465 PolarHBondContact O-OG1 3.32Å
462	Y	61	Low	60.2	Low	99 Å²	99	54.5 Å²	54.5	39%	0.388	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-47.3	172.1	-172	-95.1	0	0	0	113.4	L458 M460 E464 T465 E466 P546 N549	L458-Y462 PolarHBondContact O-N 2.86Å; M460-Y462 PolarHBondContact O-N 2.89Å; Y462-E464 VanDerWaalsContact C-N 3.31Å; Y462-E464 PolarHBondContact O-N 3.14Å; Y462-T465 PolarHBondContact O-OG1 2.99Å; Y462-E466 VanDerWaalsContact O-CB 3.24Å; Y462-E466 WeakPolarHBondContact O-CB 3.46Å; Y462-E466 PolarHBondContact O-N 3.14Å; Y462-P546 HydrophobicContact CD2-CG 3.82Å; Y462-P546 HydrophobicContact CE2-CG 4.07Å; Y462-N549 WeakPolarHBondContact CE2-ND2 3.47Å
463	I	58.7	Low	61	Low	20 Å²	20	58 Å²	58	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-32.7	179.4	-72	165.4	0	0	0	111.9	L347 R407 R459 M460 A467	L347-I463 HydrophobicContact CD2-CD1 3.95Å; L347-I463 HydrophobicContact CD2-CG1 4.47Å; L347-I463 HydrophobicContact CD2-CG2 4.37Å; R407-I463 HydrophobicContact CG-CG2 4.46Å; R407-I463 PolarHBondContact NH1-O 2.97Å; R459-I463 WeakPolarHBondContact O-CD1 3.48Å; R459-I463 VanDerWaalsContact O-CG1 3.28Å; R459-I463 WeakPolarHBondContact O-CG1 3.27Å; R459-I463 PolarHBondContact O-N 3.13Å; M460-I463 PolarHBondContact O-N 2.92Å; M460-I463 HydrophobicContact SD-CD1 4.12Å; I463-A467 WeakPolarHBondContact O-CB 3.37Å; I463-A467 PolarHBondContact O-N 2.85Å; I463-A467 VanDerWaalsContact O-N 3.17Å
464	E	56.9	Low	61.8	Low	88 Å²	88	60 Å²	60	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-78.8	-41.8	177.8	-70.9	-177.2	-172.9	0	0	112.2	M460 S461 Y462 A467 Q468	M460-E464 WeakPolarHBondContact O-CG 3.46Å; M460-E464 PolarHBondContact O-N 3.22Å; S461-E464 PolarHBondContact O-N 2.77Å; Y462-E464 VanDerWaalsContact C-N 3.31Å; Y462-E464 PolarHBondContact O-N 3.14Å; E464-A467 PolarHBondContact O-N 3.3Å; E464-Q468 WeakPolarHBondContact O-CB 3.47Å; E464-Q468 VanDerWaalsContact O-CG 3.25Å; E464-Q468 WeakPolarHBondContact O-CG 3.44Å; E464-Q468 PolarHBondContact O-N 3.06Å
465	T	60.8	Low	62.1	Low	5 Å²	5	57.5 Å²	57.5	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-36.9	173.6	51	0	0	0	0	112.1	S461 Y462 Q468 A469 M545 Y553	S461-T465 WeakPolarHBondContact O-CB 3.45Å; S461-T465 WeakPolarHBondContact O-CG2 3.31Å; S461-T465 PolarHBondContact O-N 2.97Å; S461-T465 PolarHBondContact O-OG1 3.32Å; Y462-T465 PolarHBondContact O-OG1 2.99Å; T465-Q468 PolarHBondContact O-N 3.05Å; T465-A469 VanDerWaalsContact O-CB 3.26Å; T465-A469 WeakPolarHBondContact O-CB 3.38Å; T465-A469 PolarHBondContact O-N 3.43Å; T465-M545 HydrophobicContact CG2-CG 4.22Å; T465-Y553 PolarHBondContact O-OH 2.96Å
466	E	62.3	Low	62.3	Low	52 Å²	52	52.2 Å²	52.2	24%	0.243	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-41.8	170.8	-173.6	-132.2	168.6	0	0	111.8	R354 R407 Y462 K470	R354-E466 IonicContact NH2-OE1 3.75Å; R407-E466 IonicContact CZ-OE2 3.55Å; R407-E466 IonicContact NH1-OE2 2.68Å; R407-E466 PolarHBondContact NH1-OE2 2.99Å; R407-E466 IonicContact NH2-OE1 3.45Å; R407-E466 PolarHBondContact NH2-OE1 3.35Å; R407-E466 IonicContact NH2-OE2 2.66Å; R407-E466 PolarHBondContact NH2-OE2 3.39Å; Y462-E466 VanDerWaalsContact O-CB 3.24Å; Y462-E466 WeakPolarHBondContact O-CB 3.46Å; Y462-E466 PolarHBondContact O-N 3.14Å; E466-K470 WeakPolarHBondContact O-CB 3.5Å; E466-K470 PolarHBondContact O-N 3.34Å
467	A	61.2	Low	62.9	Low	35 Å²	35	55.5 Å²	55.5	29%	0.289	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-44.6	176.3	0	0	0	0	0	112	I463 E464 K470 D471	I463-A467 WeakPolarHBondContact O-CB 3.37Å; I463-A467 PolarHBondContact O-N 2.85Å; I463-A467 VanDerWaalsContact O-N 3.17Å; E464-A467 PolarHBondContact O-N 3.3Å; A467-K470 PolarHBondContact O-N 3.41Å; A467-D471 PolarHBondContact O-N 3.46Å
468	Q	63.9	Low	63.3	Low	63 Å²	63	59.9 Å²	59.9	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-66	-39.4	177.6	-69.5	171.9	41	0	0	112.3	E464 T465 K470 D471 L472	E464-Q468 WeakPolarHBondContact O-CB 3.47Å; E464-Q468 VanDerWaalsContact O-CG 3.25Å; E464-Q468 WeakPolarHBondContact O-CG 3.44Å; E464-Q468 PolarHBondContact O-N 3.06Å; T465-Q468 PolarHBondContact O-N 3.05Å; Q468-K470 VanDerWaalsContact C-N 3.32Å; Q468-K470 PolarHBondContact O-N 3.3Å; Q468-D471 PolarHBondContact O-N 2.61Å; Q468-L472 WeakPolarHBondContact O-CB 3.48Å; Q468-L472 PolarHBondContact O-N 2.92Å
469	A	62.7	Low	63.5	Low	11 Å²	11	55.8 Å²	55.8	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-43.9	174	0	0	0	0	0	111.1	T465 L472 E473 Y553	T465-A469 VanDerWaalsContact O-CB 3.26Å; T465-A469 WeakPolarHBondContact O-CB 3.38Å; T465-A469 PolarHBondContact O-N 3.43Å; A469-L472 WeakPolarHBondContact O-CB 3.49Å; A469-L472 PolarHBondContact O-N 3.04Å; A469-E473 PolarHBondContact O-N 2.87Å; A469-Y553 WeakPolarHBondContact CA-OH 3.32Å; A469-Y553 HydrophobicContact CB-CE2 3.59Å; A469-Y553 PolarHBondContact N-OH 3.15Å; A469-Y553 VanDerWaalsContact N-OH 3.12Å
470	K	67.3	Low	63.8	Low	61 Å²	61	53 Å²	53	27%	0.265	26%	0.255	S	S	.	.	H	α-helix	trans	-70.3	-40.2	178.4	-173.4	167.1	-176.2	173.7	0	113	E466 A467 Q468 L472 E473 D474	E466-K470 WeakPolarHBondContact O-CB 3.5Å; E466-K470 PolarHBondContact O-N 3.34Å; A467-K470 PolarHBondContact O-N 3.41Å; Q468-K470 VanDerWaalsContact C-N 3.32Å; Q468-K470 PolarHBondContact O-N 3.3Å; K470-L472 PolarHBondContact O-N 3.19Å; K470-E473 WeakPolarHBondContact O-CB 3.42Å; K470-E473 PolarHBondContact O-N 3.37Å; K470-D474 WeakPolarHBondContact O-CB 3.34Å; K470-D474 PolarHBondContact O-N 3.42Å
471	D	65.5	Low	64.1	Low	122 Å²	122	56.1 Å²	56.1	65%	0.652	28%	0.277	S	S	*	.	H	α-helix	trans	-61.9	-34.7	174.4	-84.2	-11.4	0	0	0	111.5	A467 Q468 L475	A467-D471 PolarHBondContact O-N 3.46Å; Q468-D471 PolarHBondContact O-N 2.61Å; D471-L475 VanDerWaalsContact O-CB 3.25Å; D471-L475 WeakPolarHBondContact O-CB 3.38Å; D471-L475 PolarHBondContact O-N 2.68Å
472	L	67	Low	64.4	Low	4 Å²	4	59.8 Å²	59.8	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-45.5	171.8	177.7	60.5	0	0	0	111.9	Q468 A469 K470 D474 L475 I476 V532 A535 I536 Y553 L556	Q468-L472 WeakPolarHBondContact O-CB 3.48Å; Q468-L472 PolarHBondContact O-N 2.92Å; A469-L472 WeakPolarHBondContact O-CB 3.49Å; A469-L472 PolarHBondContact O-N 3.04Å; K470-L472 PolarHBondContact O-N 3.19Å; L472-D474 PolarHBondContact O-N 3.46Å; L472-L475 WeakPolarHBondContact O-CB 3.42Å; L472-L475 PolarHBondContact O-N 3.47Å; L472-I476 HydrophobicContact CD1-CD1 3.89Å; L472-I476 HydrophobicContact CD1-CG1 4.26Å; L472-I476 HydrophobicContact CG-CD1 3.83Å; L472-I476 WeakPolarHBondContact O-CB 3.5Å; L472-I476 WeakPolarHBondContact O-CD1 3.45Å; L472-I476 VanDerWaalsContact O-CG1 3.27Å; L472-I476 WeakPolarHBondContact O-CG1 3.19Å; L472-I476 PolarHBondContact O-N 2.9Å; L472-V532 HydrophobicContact CD1-CG1 4.42Å; L472-A535 HydrophobicContact CD1-CB 3.97Å; L472-I536 HydrophobicContact CD2-CG1 4.36Å; L472-Y553 HydrophobicContact CD2-CD1 4.43Å; L472-Y553 HydrophobicContact CD2-CE1 3.99Å; L472-L556 HydrophobicContact CD2-CB 4.46Å; L472-L556 HydrophobicContact CD2-CD1 4.4Å
473	E	69.4	Low	64.6	Low	90 Å²	90	55.1 Å²	55.1	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-57.6	-45.8	174.5	-165.5	-155.1	162.1	0	0	111.6	A469 K470 L475 I476 N477 L556	A469-E473 PolarHBondContact O-N 2.87Å; K470-E473 WeakPolarHBondContact O-CB 3.42Å; K470-E473 PolarHBondContact O-N 3.37Å; E473-L475 VanDerWaalsContact C-N 3.35Å; E473-L475 PolarHBondContact O-N 3.41Å; E473-I476 PolarHBondContact O-N 2.83Å; E473-N477 WeakPolarHBondContact O-CB 3.47Å; E473-N477 PolarHBondContact O-N 3.06Å; E473-N477 PolarHBondContact O-ND2 3.37Å; E473-L556 HydrophobicContact CB-CD2 4.34Å; E473-L556 HydrophobicContact CG-CD2 4.31Å
474	D	68.2	Low	65	Low	59 Å²	59	61.4 Å²	61.4	32%	0.316	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-37.3	179	-130.9	70.2	0	0	0	111.3	K470 L472 R478	K470-D474 WeakPolarHBondContact O-CB 3.34Å; K470-D474 PolarHBondContact O-N 3.42Å; L472-D474 PolarHBondContact O-N 3.46Å; D474-R478 WeakPolarHBondContact O-CB 3.31Å; D474-R478 VanDerWaalsContact O-CD 3.3Å; D474-R478 WeakPolarHBondContact O-CD 3.19Å; D474-R478 WeakPolarHBondContact O-CG 3.15Å; D474-R478 PolarHBondContact O-N 3.45Å; D474-R478 IonicContact OD2-CZ 2.99Å; D474-R478 VanDerWaalsContact OD2-CZ 3.27Å; D474-R478 IonicContact OD2-NE 2.69Å; D474-R478 PolarHBondContact OD2-NE 3.1Å; D474-R478 VanDerWaalsContact OD2-NE 3.13Å; D474-R478 IonicContact OD2-NH2 3.16Å; D474-R478 PolarHBondContact OD2-NH2 3.18Å
475	L	67.2	Low	65.4	Low	44 Å²	44	62.4 Å²	62.4	23%	0.23	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-45.9	174.5	-177.5	65.7	0	0	0	111.8	D471 L472 E473 K479 F528 V532 A535	D471-L475 VanDerWaalsContact O-CB 3.25Å; D471-L475 WeakPolarHBondContact O-CB 3.38Å; D471-L475 PolarHBondContact O-N 2.68Å; L472-L475 WeakPolarHBondContact O-CB 3.42Å; L472-L475 PolarHBondContact O-N 3.47Å; E473-L475 VanDerWaalsContact C-N 3.35Å; E473-L475 PolarHBondContact O-N 3.41Å; L475-K479 PolarHBondContact O-N 3.23Å; L475-K479 VanDerWaalsContact O-N 3.14Å; L475-F528 HydrophobicContact CD1-CD2 4.26Å; L475-F528 HydrophobicContact CD1-CE2 3.59Å; L475-F528 HydrophobicContact CD1-CZ 4.47Å; L475-F528 HydrophobicContact CD2-CE2 4.46Å; L475-F528 HydrophobicContact CG-CE2 3.62Å; L475-F528 HydrophobicContact CG-CZ 4.02Å; L475-F528 WeakPolarHBondContact O-CE2 3.49Å; L475-V532 HydrophobicContact CD2-CG2 4.12Å; L475-A535 HydrophobicContact CD2-CB 4.4Å
476	I	66.9	Low	65.8	Low	2 Å²	2	62.9 Å²	62.9	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-48.6	175.6	-72.3	162.7	0	0	0	110.7	L472 E473 R478 K479 R480 L556 C560 I563	L472-I476 HydrophobicContact CD1-CD1 3.89Å; L472-I476 HydrophobicContact CD1-CG1 4.26Å; L472-I476 HydrophobicContact CG-CD1 3.83Å; L472-I476 WeakPolarHBondContact O-CB 3.5Å; L472-I476 WeakPolarHBondContact O-CD1 3.45Å; L472-I476 VanDerWaalsContact O-CG1 3.27Å; L472-I476 WeakPolarHBondContact O-CG1 3.19Å; L472-I476 PolarHBondContact O-N 2.9Å; E473-I476 PolarHBondContact O-N 2.83Å; I476-R478 PolarHBondContact O-N 3.46Å; I476-K479 CarbonylContact O-C 3.56Å; I476-K479 PolarHBondContact O-N 3.04Å; I476-R480 PolarHBondContact O-N 3.05Å; I476-L556 HydrophobicContact CD1-CB 4.33Å; I476-L556 HydrophobicContact CD1-CD2 3.9Å; I476-C560 VanDerWaalsContact CD1-SG 3.52Å; I476-I563 HydrophobicContact CG2-CD1 3.75Å
477	N	68.1	Low	65.9	Low	74 Å²	74	62.9 Å²	62.9	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-39.9	-178.9	-81.9	-40.8	0	0	0	112.5	E473 K479 R480 C481	E473-N477 WeakPolarHBondContact O-CB 3.47Å; E473-N477 PolarHBondContact O-N 3.06Å; E473-N477 PolarHBondContact O-ND2 3.37Å; N477-K479 VanDerWaalsContact C-N 3.3Å; N477-K479 PolarHBondContact O-N 2.65Å; N477-R480 PolarHBondContact O-N 3.41Å; N477-C481 PolarHBondContact O-N 3.1Å
478	R	65.1	Low	66	Low	157 Å²	157	63.6 Å²	63.6	59%	0.592	32%	0.315	S	S	*	.	H	α-helix	trans	-60.3	-39.8	171.5	-70.1	164.8	-162.6	-164.4	8.8	111.2	D474 I476 C481 H482	D474-R478 WeakPolarHBondContact O-CB 3.31Å; D474-R478 VanDerWaalsContact O-CD 3.3Å; D474-R478 WeakPolarHBondContact O-CD 3.19Å; D474-R478 WeakPolarHBondContact O-CG 3.15Å; D474-R478 PolarHBondContact O-N 3.45Å; D474-R478 IonicContact OD2-CZ 2.99Å; D474-R478 VanDerWaalsContact OD2-CZ 3.27Å; D474-R478 IonicContact OD2-NE 2.69Å; D474-R478 PolarHBondContact OD2-NE 3.1Å; D474-R478 VanDerWaalsContact OD2-NE 3.13Å; D474-R478 IonicContact OD2-NH2 3.16Å; D474-R478 PolarHBondContact OD2-NH2 3.18Å; I476-R478 PolarHBondContact O-N 3.46Å; R478-C481 WeakPolarHBondContact O-CB 3.43Å; R478-C481 PolarHBondContact O-N 3.28Å; R478-H482 PolarHBondContact O-CD2 3.04Å; R478-H482 PolarHBondContact O-N 3.08Å
479	K	66.9	Low	66	Low	12 Å²	12	62.6 Å²	62.6	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-71.4	-40.7	176.9	-164.9	66.2	170.2	-179.2	0	113.3	L475 I476 N477 C481 H482 L483 D524 N525 F528	L475-K479 PolarHBondContact O-N 3.23Å; L475-K479 VanDerWaalsContact O-N 3.14Å; I476-K479 CarbonylContact O-C 3.56Å; I476-K479 PolarHBondContact O-N 3.04Å; N477-K479 VanDerWaalsContact C-N 3.3Å; N477-K479 PolarHBondContact O-N 2.65Å; K479-C481 PolarHBondContact O-N 3.46Å; K479-H482 HydrophobicContact CD-CB 4.5Å; K479-H482 CarbonylContact O-C 3.55Å; K479-H482 PolarHBondContact O-N 2.95Å; K479-L483 HydrophobicContact CG-CD1 3.85Å; K479-L483 HydrophobicContact CG-CG 4.14Å; K479-L483 WeakPolarHBondContact O-CB 3.44Å; K479-L483 WeakPolarHBondContact O-CG 3.09Å; K479-L483 PolarHBondContact O-N 3.14Å; K479-D524 PolarHBondContact NZ-O 3.13Å; K479-N525 VanDerWaalsContact CE-OD1 3.27Å; K479-N525 WeakPolarHBondContact CE-OD1 3.33Å; K479-N525 PolarHBondContact NZ-OD1 3.07Å; K479-F528 HydrophobicContact CB-CD1 4.18Å; K479-F528 HydrophobicContact CB-CD2 4.09Å; K479-F528 HydrophobicContact CB-CE1 3.64Å; K479-F528 HydrophobicContact CB-CE2 3.53Å; K479-F528 HydrophobicContact CB-CG 4.38Å; K479-F528 HydrophobicContact CB-CZ 3.3Å; K479-F528 HydrophobicContact CD-CB 4.04Å; K479-F528 HydrophobicContact CD-CD1 3.7Å; K479-F528 HydrophobicContact CD-CD2 3.7Å; K479-F528 HydrophobicContact CD-CE1 4.08Å; K479-F528 HydrophobicContact CD-CE2 4.07Å; K479-F528 HydrophobicContact CD-CG 3.5Å; K479-F528 VanDerWaalsContact CD-CG 3.5Å; K479-F528 HydrophobicContact CD-CZ 4.27Å; K479-F528 HydrophobicContact CG-CD1 3.58Å; K479-F528 HydrophobicContact CG-CD2 4.07Å; K479-F528 HydrophobicContact CG-CE1 3.47Å; K479-F528 VanDerWaalsContact CG-CE1 3.47Å; K479-F528 HydrophobicContact CG-CE2 3.97Å; K479-F528 HydrophobicContact CG-CG 3.88Å; K479-F528 HydrophobicContact CG-CZ 3.69Å
480	R	66.4	Low	65.9	Low	73 Å²	73	64.5 Å²	64.5	28%	0.275	32%	0.319	S	S	.	.	H	α-helix	trans	-55.3	-37.1	171.4	-77.9	179.8	154.7	156.4	-2.9	111.7	I476 N477 K484 D559 I563	I476-R480 PolarHBondContact O-N 3.05Å; N477-R480 PolarHBondContact O-N 3.41Å; R480-K484 WeakPolarHBondContact O-CB 3.27Å; R480-K484 VanDerWaalsContact O-CG 3.31Å; R480-K484 WeakPolarHBondContact O-CG 3.2Å; R480-K484 PolarHBondContact O-N 3.37Å; R480-K484 VanDerWaalsContact O-N 3.12Å; R480-D559 IonicContact CZ-OD1 3.77Å; R480-D559 IonicContact CZ-OD2 2.8Å; R480-D559 VanDerWaalsContact NH1-CG 3.29Å; R480-D559 IonicContact NH1-OD1 2.65Å; R480-D559 IonicContact NH1-OD2 2.74Å; R480-D559 PolarHBondContact NH1-OD2 3.44Å; R480-D559 IonicContact NH2-OD1 3.79Å; R480-D559 PolarHBondContact NH2-OD1 2.93Å; R480-D559 IonicContact NH2-OD2 2.75Å; R480-D559 PolarHBondContact NH2-OD2 3.45Å; R480-I563 HydrophobicContact CG-CD1 3.69Å; R480-I563 HydrophobicContact CG-CG1 4.26Å
481	C	61.8	Low	65.7	Low	75 Å²	75	66.9 Å²	66.9	51%	0.507	33%	0.331	S	S	.	.	H	α-helix	trans	-65.7	-49.3	171.8	-171.2	0	0	0	0	112.4	N477 R478 K479 L483 K484 L485	N477-C481 PolarHBondContact O-N 3.1Å; R478-C481 WeakPolarHBondContact O-CB 3.43Å; R478-C481 PolarHBondContact O-N 3.28Å; K479-C481 PolarHBondContact O-N 3.46Å; C481-L483 PolarHBondContact O-N 3.35Å; C481-K484 PolarHBondContact O-N 3.11Å; C481-L485 WeakPolarHBondContact O-CG 3.48Å; C481-L485 PolarHBondContact O-N 3.36Å; C481-L485 VanDerWaalsContact O-N 3.09Å
482	H	65.4	Low	65.6	Low	109 Å²	109	66.8 Å²	66.8	51%	0.505	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-37.9	177.9	-74	-60.1	0	0	0	113.7	R478 K479 L485 Q486	R478-H482 PolarHBondContact O-CD2 3.04Å; R478-H482 PolarHBondContact O-N 3.08Å; K479-H482 HydrophobicContact CD-CB 4.5Å; K479-H482 CarbonylContact O-C 3.55Å; K479-H482 PolarHBondContact O-N 2.95Å; H482-L485 WeakPolarHBondContact O-CB 3.4Å; H482-L485 PolarHBondContact O-N 3.28Å; H482-Q486 WeakPolarHBondContact O-CG 3.47Å; H482-Q486 PolarHBondContact O-N 3.14Å
483	L	65.1	Low	65.2	Low	1 Å²	1	68.4 Å²	68.4	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-41.5	176.2	-73.9	166.6	0	0	0	111.2	K479 C481 L485 Q486 L487 I563 I567 L570	K479-L483 HydrophobicContact CG-CD1 3.85Å; K479-L483 HydrophobicContact CG-CG 4.14Å; K479-L483 WeakPolarHBondContact O-CB 3.44Å; K479-L483 WeakPolarHBondContact O-CG 3.09Å; K479-L483 PolarHBondContact O-N 3.14Å; C481-L483 PolarHBondContact O-N 3.35Å; L483-L485 VanDerWaalsContact C-N 3.25Å; L483-L485 PolarHBondContact O-N 2.77Å; L483-Q486 PolarHBondContact O-N 2.86Å; L483-Q486 VanDerWaalsContact O-N 3.16Å; L483-L487 VanDerWaalsContact O-CB 3.32Å; L483-L487 WeakPolarHBondContact O-CB 3.31Å; L483-L487 WeakPolarHBondContact O-CG 3.42Å; L483-L487 PolarHBondContact O-N 2.67Å; L483-I563 HydrophobicContact CD1-CG2 3.7Å; L483-I567 HydrophobicContact CD1-CD1 4.32Å; L483-I567 HydrophobicContact CD1-CG1 4.28Å; L483-I567 HydrophobicContact CD2-CD1 4.4Å; L483-I567 HydrophobicContact CD2-CG1 3.79Å; L483-L570 HydrophobicContact CD2-CD1 4.1Å
484	K	68.2	Low	64.3	Low	152 Å²	152	67.8 Å²	67.8	66%	0.661	34%	0.342	S	S	*	.	H	α-helix	trans	-60.8	-33.6	171.8	-74.8	175.3	179.9	-179.7	0	112.5	R480 C481 A488	R480-K484 WeakPolarHBondContact O-CB 3.27Å; R480-K484 VanDerWaalsContact O-CG 3.31Å; R480-K484 WeakPolarHBondContact O-CG 3.2Å; R480-K484 PolarHBondContact O-N 3.37Å; R480-K484 VanDerWaalsContact O-N 3.12Å; C481-K484 PolarHBondContact O-N 3.11Å; K484-A488 WeakPolarHBondContact O-CB 3.42Å; K484-A488 PolarHBondContact O-N 2.92Å
485	L	64.8	Low	63.3	Low	110 Å²	110	71.3 Å²	71.3	58%	0.576	36%	0.357	S	S	*	.	H	α-helix	trans	-72.4	-38.4	172.8	-69.8	167.5	0	0	0	113	C481 H482 L483 H489	C481-L485 WeakPolarHBondContact O-CG 3.48Å; C481-L485 PolarHBondContact O-N 3.36Å; C481-L485 VanDerWaalsContact O-N 3.09Å; H482-L485 WeakPolarHBondContact O-CB 3.4Å; H482-L485 PolarHBondContact O-N 3.28Å; L483-L485 VanDerWaalsContact C-N 3.25Å; L483-L485 PolarHBondContact O-N 2.77Å; L485-H489 WeakPolarHBondContact O-CB 3.44Å; L485-H489 PolarHBondContact O-N 3.5Å
486	Q	68.2	Low	62.6	Low	15 Å²	15	71.5 Å²	71.5	7%	0.07	36%	0.355	C	S	.	.	H	α-helix	trans	-66.1	-43.9	173.5	-71.7	177.3	-3.9	0	0	111.5	H482 L483 H489 L490 Y521 N525	H482-Q486 WeakPolarHBondContact O-CG 3.47Å; H482-Q486 PolarHBondContact O-N 3.14Å; L483-Q486 PolarHBondContact O-N 2.86Å; L483-Q486 VanDerWaalsContact O-N 3.16Å; Q486-H489 WeakPolarHBondContact O-CB 3.28Å; Q486-H489 PolarHBondContact O-N 3.37Å; Q486-L490 PolarHBondContact O-N 3.23Å; Q486-Y521 HydrophobicContact CB-CD2 4.23Å; Q486-Y521 HydrophobicContact CB-CE2 4.29Å; Q486-Y521 HydrophobicContact CG-CD1 3.96Å; Q486-Y521 HydrophobicContact CG-CD2 3.85Å; Q486-Y521 HydrophobicContact CG-CE1 4.11Å; Q486-Y521 HydrophobicContact CG-CE2 4.02Å; Q486-Y521 HydrophobicContact CG-CG 3.82Å; Q486-N525 PolarHBondContact NE2-OD1 3.07Å; Q486-N525 VanDerWaalsContact NE2-OD1 3.11Å; Q486-N525 PolarHBondContact OE1-ND2 3.41Å; Q486-N525 PolarHBondContact OE1-OD1 3.03Å
487	L	65.5	Low	61.6	Low	51 Å²	51	75.3 Å²	75.3	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-62.2	-49.1	175.3	-77.2	163.1	0	0	0	111.5	L483 H489 L490 Q491 L570	L483-L487 VanDerWaalsContact O-CB 3.32Å; L483-L487 WeakPolarHBondContact O-CB 3.31Å; L483-L487 WeakPolarHBondContact O-CG 3.42Å; L483-L487 PolarHBondContact O-N 2.67Å; L487-H489 VanDerWaalsContact C-N 3.27Å; L487-H489 PolarHBondContact O-N 3.44Å; L487-L490 PolarHBondContact O-N 2.92Å; L487-L490 VanDerWaalsContact O-N 3.11Å; L487-Q491 WeakPolarHBondContact O-CB 3.5Å; L487-Q491 WeakPolarHBondContact O-CG 3.48Å; L487-Q491 PolarHBondContact O-N 3.32Å; L487-L570 HydrophobicContact CD2-CD1 4.35Å; L487-L570 HydrophobicContact CD2-CD2 3.9Å; L487-L570 HydrophobicContact CD2-CG 4.49Å; L487-L570 HydrophobicContact CG-CD1 4.45Å
488	A	62.6	Low	60.4	Low	50 Å²	50	75.6 Å²	75.6	41%	0.413	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-31.7	177.2	0	0	0	0	0	112.7	K484 K492	K484-A488 WeakPolarHBondContact O-CB 3.42Å; K484-A488 PolarHBondContact O-N 2.92Å; A488-K492 VanDerWaalsContact O-CB 3.29Å; A488-K492 WeakPolarHBondContact O-CB 3.33Å; A488-K492 PolarHBondContact O-N 2.94Å
489	H	63.7	Low	59.4	Low	43 Å²	43	74.6 Å²	74.6	20%	0.199	38%	0.384	C	S	.	.	H	α-helix	trans	-66.5	-44.9	171.5	-176.2	-88.6	0	0	0	111.4	L485 Q486 L487 K492 Q493 R517	L485-H489 WeakPolarHBondContact O-CB 3.44Å; L485-H489 PolarHBondContact O-N 3.5Å; Q486-H489 WeakPolarHBondContact O-CB 3.28Å; Q486-H489 PolarHBondContact O-N 3.37Å; L487-H489 VanDerWaalsContact C-N 3.27Å; L487-H489 PolarHBondContact O-N 3.44Å; H489-K492 PolarHBondContact O-N 2.89Å; H489-Q493 PolarHBondContact CE1-NE2 3.43Å; H489-Q493 PolarHBondContact CE1-OE1 3.24Å; H489-Q493 PolarHBondContact ND1-OE1 3.49Å; H489-Q493 VanDerWaalsContact O-CG 3.29Å; H489-Q493 WeakPolarHBondContact O-CG 3.42Å; H489-Q493 PolarHBondContact O-N 2.95Å; H489-Q493 PolarHBondContact O-OE1 3.27Å; H489-R517 PolarHBondContact NE2-NH1 3.34Å
490	L	60.8	Low	58.6	Low	50 Å²	50	78 Å²	78	26%	0.262	40%	0.4	S	S	.	.	H	α-helix	trans	-67.3	-40.4	177.6	-81.3	163.8	0	0	0	113.6	Q486 L487 Q493 A494 L518 L570	Q486-L490 PolarHBondContact O-N 3.23Å; L487-L490 PolarHBondContact O-N 2.92Å; L487-L490 VanDerWaalsContact O-N 3.11Å; L490-Q493 WeakPolarHBondContact O-CB 3.48Å; L490-Q493 PolarHBondContact O-N 2.92Å; L490-A494 PolarHBondContact O-N 3.24Å; L490-L518 HydrophobicContact CD1-CD2 4.43Å; L490-L518 HydrophobicContact CD2-CD2 4.03Å; L490-L570 HydrophobicContact CD1-CD2 3.53Å
491	Q	63	Low	57.8	Low	111 Å²	111	75.5 Å²	75.5	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-61	-48.8	172.9	-73.1	171.1	-49.6	0	0	109.9	L487 Q493 A494 E495	L487-Q491 WeakPolarHBondContact O-CB 3.5Å; L487-Q491 WeakPolarHBondContact O-CG 3.48Å; L487-Q491 PolarHBondContact O-N 3.32Å; Q491-Q493 PolarHBondContact O-N 2.88Å; Q491-A494 CarbonylContact O-C 3.59Å; Q491-A494 WeakPolarHBondContact O-CA 3.46Å; Q491-A494 WeakPolarHBondContact O-CB 3.45Å; Q491-A494 PolarHBondContact O-N 3.07Å; Q491-E495 WeakPolarHBondContact O-CB 3.5Å; Q491-E495 VanDerWaalsContact O-CG 3.27Å; Q491-E495 WeakPolarHBondContact O-CG 3.48Å; Q491-E495 PolarHBondContact O-N 3.14Å
492	K	63.2	Low	57	Low	120 Å²	120	76.7 Å²	76.7	52%	0.522	39%	0.39	S	S	.	.	H	α-helix	trans	-61.7	-26.6	175	-175.6	161.2	-176.2	166	0	113.9	A488 H489	A488-K492 VanDerWaalsContact O-CB 3.29Å; A488-K492 WeakPolarHBondContact O-CB 3.33Å; A488-K492 PolarHBondContact O-N 2.94Å; H489-K492 PolarHBondContact O-N 2.89Å
493	Q	57.9	Low	56.1	Low	38 Å²	38	74.6 Å²	74.6	18%	0.178	40%	0.398	C	S	.	.	H	α-helix	trans	-74.9	-29.6	172.2	-72.9	170.9	-68.7	0	0	113.1	H489 L490 Q491 Y496 D514	H489-Q493 PolarHBondContact CE1-NE2 3.43Å; H489-Q493 PolarHBondContact CE1-OE1 3.24Å; H489-Q493 PolarHBondContact ND1-OE1 3.49Å; H489-Q493 VanDerWaalsContact O-CG 3.29Å; H489-Q493 WeakPolarHBondContact O-CG 3.42Å; H489-Q493 PolarHBondContact O-N 2.95Å; H489-Q493 PolarHBondContact O-OE1 3.27Å; L490-Q493 WeakPolarHBondContact O-CB 3.48Å; L490-Q493 PolarHBondContact O-N 2.92Å; Q491-Q493 PolarHBondContact O-N 2.88Å; Q493-Y496 HydrophobicContact CB-CE2 4.27Å; Q493-Y496 HydrophobicContact CG-CE2 4.04Å; Q493-Y496 WeakPolarHBondContact O-CD2 3.47Å; Q493-D514 PolarHBondContact NE2-OD2 2.82Å
494	A	52.2	Low	55.4	Low	77 Å²	77	78.1 Å²	78.1	64%	0.636	41%	0.411	S	S	*	.	H	α-helix	trans	-80.3	-27.3	172.4	0	0	0	0	0	112.7	L490 Q491 Y496	L490-A494 PolarHBondContact O-N 3.24Å; Q491-A494 CarbonylContact O-C 3.59Å; Q491-A494 WeakPolarHBondContact O-CA 3.46Å; Q491-A494 WeakPolarHBondContact O-CB 3.45Å; Q491-A494 PolarHBondContact O-N 3.07Å; A494-Y496 VanDerWaalsContact C-N 3.31Å; A494-Y496 PolarHBondContact O-N 3.31Å
495	E	47.1	Very low	54.4	Low	134 Å²	134	75.3 Å²	75.3	63%	0.626	41%	0.407	S	S	*	.	S	Bend	trans	-81.8	3	178.4	-69.7	165.5	-174.1	0	0	114.2	Q491 T497	Q491-E495 WeakPolarHBondContact O-CB 3.5Å; Q491-E495 VanDerWaalsContact O-CG 3.27Å; Q491-E495 WeakPolarHBondContact O-CG 3.48Å; Q491-E495 PolarHBondContact O-N 3.14Å; E495-T497 PolarHBondContact O-N 3.13Å
496	Y	51.7	Low	53.8	Low	48 Å²	48	73.6 Å²	73.6	19%	0.188	40%	0.398	C	S	.	.			trans	-65.6	104.1	178.2	-76.4	-43.3	0	0	0	111	Q493 A494 E500 Q501 M510	Q493-Y496 HydrophobicContact CB-CE2 4.27Å; Q493-Y496 HydrophobicContact CG-CE2 4.04Å; Q493-Y496 WeakPolarHBondContact O-CD2 3.47Å; A494-Y496 VanDerWaalsContact C-N 3.31Å; A494-Y496 PolarHBondContact O-N 3.31Å; Y496-E500 VanDerWaalsContact CD1-OE2 3.27Å; Y496-E500 WeakPolarHBondContact CD1-OE2 3.45Å; Y496-Q501 PolarHBondContact O-NE2 3.28Å; Y496-M510 HydrophobicContact CD2-CE 4.41Å; Y496-M510 HydrophobicContact CE2-CE 4.22Å
497	T	45.9	Very low	53.2	Low	82 Å²	82	75.1 Å²	75.1	50%	0.503	41%	0.409	S	S	.	.			trans	-60.1	156	175.2	53.8	0	0	0	0	112.1	E495 D499 E500 Q501	E495-T497 PolarHBondContact O-N 3.13Å; T497-D499 VanDerWaalsContact C-N 3.32Å; T497-D499 PolarHBondContact O-N 3.44Å; T497-E500 WeakPolarHBondContact O-CA 3.25Å; T497-E500 WeakPolarHBondContact O-CB 3.44Å; T497-E500 PolarHBondContact O-N 3.05Å; T497-Q501 PolarHBondContact O-N 3.43Å; T497-Q501 VanDerWaalsContact O-N 3.15Å
498	Q	42.3	Very low	52.4	Low	79 Å²	79	78 Å²	78	37%	0.369	42%	0.424	S	S	.	.	H	α-helix	trans	-53.2	-46.6	-175.9	-158	166.3	15.8	0	0	112.2	E500 Q501 E502 N656 N657	Q498-E500 VanDerWaalsContact C-N 3.32Å; Q498-E500 PolarHBondContact O-N 3.39Å; Q498-Q501 WeakPolarHBondContact O-CA 3.1Å; Q498-Q501 PolarHBondContact O-N 3.48Å; Q498-E502 WeakPolarHBondContact O-CG 3.27Å; Q498-E502 PolarHBondContact O-N 2.97Å; Q498-N656 HydrophobicContact CG-CB 4.49Å; Q498-N656 PolarHBondContact NE2-O 3.06Å; Q498-N657 PolarHBondContact NE2-ND2 3.06Å; Q498-N657 PolarHBondContact NE2-OD1 3.38Å
499	D	44.3	Very low	52	Low	137 Å²	137	79.2 Å²	79.2	73%	0.733	42%	0.421	S	S	*	.	H	α-helix	trans	-57.7	-38.6	174.9	-61.3	-49.4	0	0	0	113.5	T497 Q501 G503	T497-D499 VanDerWaalsContact C-N 3.32Å; T497-D499 PolarHBondContact O-N 3.44Å; D499-Q501 VanDerWaalsContact C-N 3.27Å; D499-Q501 PolarHBondContact O-N 2.89Å; D499-G503 PolarHBondContact O-N 3Å; D499-G503 VanDerWaalsContact O-N 3.16Å
500	E	50.3	Low	51.7	Low	84 Å²	84	79 Å²	79	39%	0.393	42%	0.42	S	S	.	.	H	α-helix	trans	-71.3	-21.3	176.3	-84.8	-155.4	-172.4	0	0	112.8	Y496 T497 Q498 R504	Y496-E500 VanDerWaalsContact CD1-OE2 3.27Å; Y496-E500 WeakPolarHBondContact CD1-OE2 3.45Å; T497-E500 WeakPolarHBondContact O-CA 3.25Å; T497-E500 WeakPolarHBondContact O-CB 3.44Å; T497-E500 PolarHBondContact O-N 3.05Å; Q498-E500 VanDerWaalsContact C-N 3.32Å; Q498-E500 PolarHBondContact O-N 3.39Å; E500-R504 WeakPolarHBondContact O-CD 3.26Å; E500-R504 VanDerWaalsContact O-CG 3.27Å; E500-R504 WeakPolarHBondContact O-CG 3.41Å; E500-R504 PolarHBondContact O-NE 3.19Å; E500-R504 IonicContact OE2-CZ 2.57Å; E500-R504 IonicContact OE2-NH2 2.64Å; E500-R504 PolarHBondContact OE2-NH2 3.32Å
501	Q	49.2	Very low	51.4	Low	19 Å²	19	82 Å²	82	9%	0.089	43%	0.429	C	S	.	.	H	α-helix	trans	-87.1	-44.3	174.6	-59.5	-166.9	33.9	0	0	111.9	Y496 T497 Q498 D499 G503 R504 I659	Y496-Q501 PolarHBondContact O-NE2 3.28Å; T497-Q501 PolarHBondContact O-N 3.43Å; T497-Q501 VanDerWaalsContact O-N 3.15Å; Q498-Q501 WeakPolarHBondContact O-CA 3.1Å; Q498-Q501 PolarHBondContact O-N 3.48Å; D499-Q501 VanDerWaalsContact C-N 3.27Å; D499-Q501 PolarHBondContact O-N 2.89Å; Q501-G503 VanDerWaalsContact C-N 3.3Å; Q501-G503 PolarHBondContact O-N 3.38Å; Q501-R504 CarbonylContact O-C 3.59Å; Q501-R504 WeakPolarHBondContact O-CA 3.43Å; Q501-R504 WeakPolarHBondContact O-CB 3.33Å; Q501-R504 PolarHBondContact O-N 3.03Å; Q501-I659 VanDerWaalsContact NE2-CD1 3.3Å
502	E	44.7	Very low	51.2	Low	100 Å²	100	82.7 Å²	82.7	47%	0.467	43%	0.43	S	S	.	.	H	α-helix	trans	-65.9	-32.7	179.7	-60	-149.6	148.3	0	0	112.3	Q498 R504 N656	Q498-E502 WeakPolarHBondContact O-CG 3.27Å; Q498-E502 PolarHBondContact O-N 2.97Å; E502-R504 PolarHBondContact O-N 2.87Å; E502-R504 VanDerWaalsContact O-N 3.17Å; E502-N656 WeakPolarHBondContact CG-ND2 3.46Å; E502-N656 PolarHBondContact OE1-ND2 2.65Å
503	G	47.4	Very low	51.3	Low	66 Å²	66	82.5 Å²	82.5	68%	0.68	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.1	169.3	0	0	0	0	0	114.7	D499 Q501	D499-G503 PolarHBondContact O-N 3Å; D499-G503 VanDerWaalsContact O-N 3.16Å; Q501-G503 VanDerWaalsContact C-N 3.3Å; Q501-G503 PolarHBondContact O-N 3.38Å
504	R	50.7	Low	51.5	Low	74 Å²	74	81.5 Å²	81.5	28%	0.279	43%	0.425	S	S	.	.			trans	-112.8	73.7	-175.9	-63.9	178.1	-162.5	158.9	15	111.3	E500 Q501 E502 N506 T507	E500-R504 WeakPolarHBondContact O-CD 3.26Å; E500-R504 VanDerWaalsContact O-CG 3.27Å; E500-R504 WeakPolarHBondContact O-CG 3.41Å; E500-R504 PolarHBondContact O-NE 3.19Å; E500-R504 IonicContact OE2-CZ 2.57Å; E500-R504 IonicContact OE2-NH2 2.64Å; E500-R504 PolarHBondContact OE2-NH2 3.32Å; Q501-R504 CarbonylContact O-C 3.59Å; Q501-R504 WeakPolarHBondContact O-CA 3.43Å; Q501-R504 WeakPolarHBondContact O-CB 3.33Å; Q501-R504 PolarHBondContact O-N 3.03Å; E502-R504 PolarHBondContact O-N 2.87Å; E502-R504 VanDerWaalsContact O-N 3.17Å; R504-N506 PolarHBondContact O-N 3.34Å; R504-T507 PolarHBondContact O-N 3.38Å
505	T	46.3	Very low	51.9	Low	93 Å²	93	79.9 Å²	79.9	57%	0.571	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	32.4	178.3	76.6	0	0	0	0	115.1	R82	R82-T505 PolarHBondContact NH1-OG1 2.85Å; R82-T505 PolarHBondContact NH2-OG1 2.65Å
506	N	52.8	Low	53	Low	75 Å²	75	79.1 Å²	79.1	40%	0.401	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.6	36.6	179.9	-163.2	8.1	0	0	0	110.3	R504 L508 E509 M510	R504-N506 PolarHBondContact O-N 3.34Å; N506-L508 VanDerWaalsContact C-N 3.26Å; N506-L508 PolarHBondContact O-N 3.03Å; N506-E509 PolarHBondContact ND2-OE2 3.31Å; N506-E509 PolarHBondContact O-N 2.89Å; N506-E509 VanDerWaalsContact O-N 3.15Å; N506-E509 WeakPolarHBondContact OD1-CB 3.42Å; N506-E509 VanDerWaalsContact OD1-CG 3.29Å; N506-E509 WeakPolarHBondContact OD1-CG 3.46Å; N506-M510 PolarHBondContact O-N 3.48Å; N506-M510 VanDerWaalsContact O-N 3.14Å
507	T	55	Low	53.7	Low	47 Å²	47	82.2 Å²	82.2	29%	0.288	42%	0.416	S	S	.	.	H	α-helix	trans	-50.9	-42.2	-179.4	41.1	0	0	0	0	112.5	R504 E509 M510 Y511	R504-T507 PolarHBondContact O-N 3.38Å; T507-E509 PolarHBondContact O-N 3.15Å; T507-M510 WeakPolarHBondContact O-CA 3.47Å; T507-M510 WeakPolarHBondContact O-CB 3.29Å; T507-M510 PolarHBondContact O-N 3.32Å; T507-Y511 WeakPolarHBondContact O-CD2 3.48Å; T507-Y511 PolarHBondContact O-N 2.77Å
508	L	49.2	Very low	54.8	Low	111 Å²	111	80.2 Å²	80.2	58%	0.581	40%	0.402	S	S	*	.	H	α-helix	trans	-62.5	-37.9	-180	-170.6	68.2	0	0	0	113.2	N506 K512	N506-L508 VanDerWaalsContact C-N 3.26Å; N506-L508 PolarHBondContact O-N 3.03Å; L508-K512 VanDerWaalsContact O-CG 3.32Å; L508-K512 WeakPolarHBondContact O-CG 3.39Å; L508-K512 PolarHBondContact O-N 2.89Å
509	E	54.1	Low	56.1	Low	76 Å²	76	82.6 Å²	82.6	36%	0.355	41%	0.412	S	S	.	.	H	α-helix	trans	-71.2	-35.2	171.5	-80.2	-163.1	171.2	0	0	112.4	N506 T507 K512 K513	N506-E509 PolarHBondContact ND2-OE2 3.31Å; N506-E509 PolarHBondContact O-N 2.89Å; N506-E509 VanDerWaalsContact O-N 3.15Å; N506-E509 WeakPolarHBondContact OD1-CB 3.42Å; N506-E509 VanDerWaalsContact OD1-CG 3.29Å; N506-E509 WeakPolarHBondContact OD1-CG 3.46Å; T507-E509 PolarHBondContact O-N 3.15Å; E509-K512 PolarHBondContact O-N 3.11Å; E509-K513 WeakPolarHBondContact O-CB 3.48Å; E509-K513 WeakPolarHBondContact O-CD 3.49Å; E509-K513 VanDerWaalsContact O-CG 3.29Å; E509-K513 WeakPolarHBondContact O-CG 3.35Å; E509-K513 PolarHBondContact O-N 2.68Å; E509-K513 IonicContact OE2-NZ 2.7Å; E509-K513 PolarHBondContact OE2-NZ 2.69Å
510	M	57.1	Low	57.5	Low	38 Å²	38	82.2 Å²	82.2	19%	0.187	40%	0.403	C	S	.	.	H	α-helix	trans	-61.8	-49.5	176.1	-164.3	175.5	75.8	0	0	110	Y496 N506 T507 K512 K513 D514	Y496-M510 HydrophobicContact CD2-CE 4.41Å; Y496-M510 HydrophobicContact CE2-CE 4.22Å; N506-M510 PolarHBondContact O-N 3.48Å; N506-M510 VanDerWaalsContact O-N 3.14Å; T507-M510 WeakPolarHBondContact O-CA 3.47Å; T507-M510 WeakPolarHBondContact O-CB 3.29Å; T507-M510 PolarHBondContact O-N 3.32Å; M510-K512 VanDerWaalsContact C-N 3.32Å; M510-K512 PolarHBondContact O-N 2.85Å; M510-K513 PolarHBondContact O-N 3.07Å; M510-K513 VanDerWaalsContact O-N 3.17Å; M510-D514 WeakPolarHBondContact O-CB 3.15Å; M510-D514 PolarHBondContact O-N 3.3Å
511	Y	55.3	Low	58.6	Low	112 Å²	112	80.4 Å²	80.4	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-58.7	-37.9	172.8	-74.5	-61.6	0	0	0	112.8	T507 N515	T507-Y511 WeakPolarHBondContact O-CD2 3.48Å; T507-Y511 PolarHBondContact O-N 2.77Å; Y511-N515 WeakPolarHBondContact O-CB 3.47Å; Y511-N515 PolarHBondContact O-N 3.05Å
512	K	59.6	Low	59.5	Low	127 Å²	127	81.3 Å²	81.3	55%	0.552	40%	0.4	S	S	*	.	H	α-helix	trans	-65.4	-45.1	173.5	-76.5	173.9	179.2	-179	0	112.5	L508 E509 M510 D514 N515 I516	L508-K512 VanDerWaalsContact O-CG 3.32Å; L508-K512 WeakPolarHBondContact O-CG 3.39Å; L508-K512 PolarHBondContact O-N 2.89Å; E509-K512 PolarHBondContact O-N 3.11Å; M510-K512 VanDerWaalsContact C-N 3.32Å; M510-K512 PolarHBondContact O-N 2.85Å; K512-D514 VanDerWaalsContact C-N 3.32Å; K512-D514 PolarHBondContact O-N 2.8Å; K512-N515 PolarHBondContact O-N 3.33Å; K512-I516 WeakPolarHBondContact O-CD1 3.06Å; K512-I516 VanDerWaalsContact O-CG1 3.28Å; K512-I516 WeakPolarHBondContact O-CG1 3.23Å; K512-I516 PolarHBondContact O-N 3.17Å
513	K	64.1	Low	60.8	Low	115 Å²	115	79.8 Å²	79.8	50%	0.5	40%	0.4	S	S	.	.	H	α-helix	trans	-63.4	-38.6	177.1	-74	158.9	179.8	159.3	0	111.3	E509 M510 R517	E509-K513 WeakPolarHBondContact O-CB 3.48Å; E509-K513 WeakPolarHBondContact O-CD 3.49Å; E509-K513 VanDerWaalsContact O-CG 3.29Å; E509-K513 WeakPolarHBondContact O-CG 3.35Å; E509-K513 PolarHBondContact O-N 2.68Å; E509-K513 IonicContact OE2-NZ 2.7Å; E509-K513 PolarHBondContact OE2-NZ 2.69Å; M510-K513 PolarHBondContact O-N 3.07Å; M510-K513 VanDerWaalsContact O-N 3.17Å; K513-R517 WeakPolarHBondContact O-CB 3.22Å; K513-R517 PolarHBondContact O-N 2.88Å
514	D	62.7	Low	62	Low	18 Å²	18	80 Å²	80	10%	0.096	39%	0.386	C	S	.	.	H	α-helix	trans	-76.3	-32.8	177.9	-72.3	-13.3	0	0	0	112.5	Q493 M510 K512 R517 L518	Q493-D514 PolarHBondContact NE2-OD2 2.82Å; M510-D514 WeakPolarHBondContact O-CB 3.15Å; M510-D514 PolarHBondContact O-N 3.3Å; K512-D514 VanDerWaalsContact C-N 3.32Å; K512-D514 PolarHBondContact O-N 2.8Å; D514-R517 PolarHBondContact O-N 3.35Å; D514-L518 WeakPolarHBondContact O-CB 3.31Å; D514-L518 WeakPolarHBondContact O-CG 3.43Å; D514-L518 PolarHBondContact O-N 3.09Å
515	N	61.2	Low	62.9	Low	43 Å²	43	76.7 Å²	76.7	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-63.2	-43.4	169.9	-169.6	-68.8	0	0	0	111.4	Y511 K512 R517 L518 K519 Y578	Y511-N515 WeakPolarHBondContact O-CB 3.47Å; Y511-N515 PolarHBondContact O-N 3.05Å; K512-N515 PolarHBondContact O-N 3.33Å; N515-R517 VanDerWaalsContact C-N 3.34Å; N515-L518 PolarHBondContact O-N 3.49Å; N515-K519 WeakPolarHBondContact O-CB 3.45Å; N515-K519 WeakPolarHBondContact O-CG 3.08Å; N515-K519 PolarHBondContact O-N 3.48Å; N515-K519 WeakPolarHBondContact OD1-CD 3.23Å; N515-K519 WeakPolarHBondContact OD1-CE 3.04Å; N515-K519 PolarHBondContact OD1-NZ 3.41Å; N515-Y578 PolarHBondContact ND2-OH 3.32Å
516	I	68.9	Low	64.1	Low	117 Å²	117	76.4 Å²	76.4	60%	0.6	37%	0.366	S	S	*	.	H	α-helix	trans	-61.8	-42.9	172.9	-68.6	163.1	0	0	0	110.5	K512 K519 K520	K512-I516 WeakPolarHBondContact O-CD1 3.06Å; K512-I516 VanDerWaalsContact O-CG1 3.28Å; K512-I516 WeakPolarHBondContact O-CG1 3.23Å; K512-I516 PolarHBondContact O-N 3.17Å; I516-K519 PolarHBondContact O-N 3.49Å; I516-K520 PolarHBondContact O-N 2.94Å
517	R	67.6	Low	65	Low	113 Å²	113	75.2 Å²	75.2	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-40.5	176.8	-172	174.3	-67.3	170.1	6.2	112.4	H489 K513 D514 N515 K520 Y521	H489-R517 PolarHBondContact NE2-NH1 3.34Å; K513-R517 WeakPolarHBondContact O-CB 3.22Å; K513-R517 PolarHBondContact O-N 2.88Å; D514-R517 PolarHBondContact O-N 3.35Å; N515-R517 VanDerWaalsContact C-N 3.34Å; R517-K520 WeakPolarHBondContact O-CB 3.42Å; R517-K520 PolarHBondContact O-N 3.06Å; R517-Y521 HydrophobicContact CG-CE1 3.89Å; R517-Y521 HydrophobicContact CG-CE2 4.05Å; R517-Y521 WeakPolarHBondContact O-CD1 3.41Å; R517-Y521 PolarHBondContact O-N 3.02Å
518	L	67.2	Low	65.8	Low	41 Å²	41	74 Å²	74	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-48	174.2	-87.9	166.5	0	0	0	112.2	L490 D514 N515 K520 Y521 V522	L490-L518 HydrophobicContact CD1-CD2 4.43Å; L490-L518 HydrophobicContact CD2-CD2 4.03Å; D514-L518 WeakPolarHBondContact O-CB 3.31Å; D514-L518 WeakPolarHBondContact O-CG 3.43Å; D514-L518 PolarHBondContact O-N 3.09Å; N515-L518 PolarHBondContact O-N 3.49Å; L518-K520 PolarHBondContact O-N 3.13Å; L518-Y521 HydrophobicContact CD2-CD2 4.48Å; L518-Y521 WeakPolarHBondContact O-CA 3.46Å; L518-Y521 WeakPolarHBondContact O-CB 3.47Å; L518-Y521 PolarHBondContact O-N 3.36Å; L518-V522 WeakPolarHBondContact O-CG2 3.41Å; L518-V522 PolarHBondContact O-N 2.99Å
519	K	70.5	Confident	66.6	Low	129 Å²	129	70.5 Å²	70.5	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-58.4	-38.3	173.9	-76.3	172	175.8	159.7	0	111.8	N515 I516 V522 S523	N515-K519 WeakPolarHBondContact O-CB 3.45Å; N515-K519 WeakPolarHBondContact O-CG 3.08Å; N515-K519 PolarHBondContact O-N 3.48Å; N515-K519 WeakPolarHBondContact OD1-CD 3.23Å; N515-K519 WeakPolarHBondContact OD1-CE 3.04Å; N515-K519 PolarHBondContact OD1-NZ 3.41Å; I516-K519 PolarHBondContact O-N 3.49Å; K519-V522 PolarHBondContact O-N 2.93Å; K519-S523 PolarHBondContact O-N 2.93Å
520	K	74.3	Confident	67.5	Low	128 Å²	128	73.8 Å²	73.8	56%	0.557	35%	0.348	S	S	*	.	H	α-helix	trans	-64	-46.1	171	-176.8	173.2	178.6	177.3	0	112	I516 R517 L518 V522 S523 D524	I516-K520 PolarHBondContact O-N 2.94Å; R517-K520 WeakPolarHBondContact O-CB 3.42Å; R517-K520 PolarHBondContact O-N 3.06Å; L518-K520 PolarHBondContact O-N 3.13Å; K520-V522 VanDerWaalsContact C-N 3.31Å; K520-V522 PolarHBondContact O-N 2.76Å; K520-S523 PolarHBondContact O-N 2.96Å; K520-D524 WeakPolarHBondContact CE-OD2 3.29Å; K520-D524 WeakPolarHBondContact CG-OD2 3.5Å; K520-D524 WeakPolarHBondContact O-CB 3.29Å; K520-D524 PolarHBondContact O-N 3.33Å
521	Y	72.7	Confident	68.3	Low	46 Å²	46	77.5 Å²	77.5	18%	0.18	36%	0.363	C	S	.	.	H	α-helix	trans	-58.3	-41.5	176.3	-67.1	-15.5	0	0	0	112.3	Q486 R517 L518 D524 N525	Q486-Y521 HydrophobicContact CB-CD2 4.23Å; Q486-Y521 HydrophobicContact CB-CE2 4.29Å; Q486-Y521 HydrophobicContact CG-CD1 3.96Å; Q486-Y521 HydrophobicContact CG-CD2 3.85Å; Q486-Y521 HydrophobicContact CG-CE1 4.11Å; Q486-Y521 HydrophobicContact CG-CE2 4.02Å; Q486-Y521 HydrophobicContact CG-CG 3.82Å; R517-Y521 HydrophobicContact CG-CE1 3.89Å; R517-Y521 HydrophobicContact CG-CE2 4.05Å; R517-Y521 WeakPolarHBondContact O-CD1 3.41Å; R517-Y521 PolarHBondContact O-N 3.02Å; L518-Y521 HydrophobicContact CD2-CD2 4.48Å; L518-Y521 WeakPolarHBondContact O-CA 3.46Å; L518-Y521 WeakPolarHBondContact O-CB 3.47Å; L518-Y521 PolarHBondContact O-N 3.36Å; Y521-D524 PolarHBondContact O-N 3.42Å; Y521-N525 VanDerWaalsContact O-CB 3.25Å; Y521-N525 WeakPolarHBondContact O-CB 3.28Å; Y521-N525 PolarHBondContact O-N 3.34Å; Y521-N525 PolarHBondContact O-ND2 3.16Å; Y521-N525 PolarHBondContact O-OD1 3.43Å
522	V	68	Low	68.8	Low	38 Å²	38	72.6 Å²	72.6	23%	0.23	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-49.2	174.1	175.7	0	0	0	0	110.8	L518 K519 K520 D524 N525 E526 I571	L518-V522 WeakPolarHBondContact O-CG2 3.41Å; L518-V522 PolarHBondContact O-N 2.99Å; K519-V522 PolarHBondContact O-N 2.93Å; K520-V522 VanDerWaalsContact C-N 3.31Å; K520-V522 PolarHBondContact O-N 2.76Å; V522-D524 PolarHBondContact O-N 3.24Å; V522-N525 CarbonylContact O-C 3.59Å; V522-N525 WeakPolarHBondContact O-CA 3.45Å; V522-N525 WeakPolarHBondContact O-CB 3.5Å; V522-N525 PolarHBondContact O-N 3.18Å; V522-E526 PolarHBondContact O-N 2.8Å; V522-I571 HydrophobicContact CG1-CD1 4.34Å; V522-I571 HydrophobicContact CG1-CG1 4.16Å; V522-I571 HydrophobicContact CG2-CG1 4.11Å
523	S	71.6	Confident	69.1	Low	68 Å²	68	71.2 Å²	71.2	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-42.3	178.2	-168.3	0	0	0	0	113.1	K519 K520 N525 E526 A527	K519-S523 PolarHBondContact O-N 2.93Å; K520-S523 PolarHBondContact O-N 2.96Å; S523-N525 PolarHBondContact O-N 3.21Å; S523-E526 PolarHBondContact O-N 2.85Å; S523-A527 VanDerWaalsContact O-CB 3.24Å; S523-A527 WeakPolarHBondContact O-CB 3.36Å; S523-A527 PolarHBondContact O-N 2.89Å
524	D	72.2	Confident	69.4	Low	72 Å²	72	71 Å²	71	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-66.7	-18.9	174	-71.2	-20	0	0	0	112.3	K479 K520 Y521 V522 F528	K479-D524 PolarHBondContact NZ-O 3.13Å; K520-D524 WeakPolarHBondContact CE-OD2 3.29Å; K520-D524 WeakPolarHBondContact CG-OD2 3.5Å; K520-D524 WeakPolarHBondContact O-CB 3.29Å; K520-D524 PolarHBondContact O-N 3.33Å; Y521-D524 PolarHBondContact O-N 3.42Å; V522-D524 PolarHBondContact O-N 3.24Å; D524-F528 WeakPolarHBondContact O-CB 3.39Å
525	N	70.3	Confident	69.6	Low	3 Å²	3	70.6 Å²	70.6	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-88.3	-45.6	175.2	-67.8	-5.1	0	0	0	111.3	K479 Q486 Y521 V522 S523 F528 L529 I567	K479-N525 VanDerWaalsContact CE-OD1 3.27Å; K479-N525 WeakPolarHBondContact CE-OD1 3.33Å; K479-N525 PolarHBondContact NZ-OD1 3.07Å; Q486-N525 PolarHBondContact NE2-OD1 3.07Å; Q486-N525 VanDerWaalsContact NE2-OD1 3.11Å; Q486-N525 PolarHBondContact OE1-ND2 3.41Å; Q486-N525 PolarHBondContact OE1-OD1 3.03Å; Y521-N525 VanDerWaalsContact O-CB 3.25Å; Y521-N525 WeakPolarHBondContact O-CB 3.28Å; Y521-N525 PolarHBondContact O-N 3.34Å; Y521-N525 PolarHBondContact O-ND2 3.16Å; Y521-N525 PolarHBondContact O-OD1 3.43Å; V522-N525 CarbonylContact O-C 3.59Å; V522-N525 WeakPolarHBondContact O-CA 3.45Å; V522-N525 WeakPolarHBondContact O-CB 3.5Å; V522-N525 PolarHBondContact O-N 3.18Å; S523-N525 PolarHBondContact O-N 3.21Å; N525-F528 WeakPolarHBondContact O-CB 3.47Å; N525-F528 PolarHBondContact O-N 3.34Å; N525-F528 VanDerWaalsContact O-N 3.14Å; N525-L529 PolarHBondContact O-N 2.89Å; N525-I567 HydrophobicContact CB-CD1 4.28Å; N525-I567 HydrophobicContact CB-CG1 4.35Å; N525-I567 HydrophobicContact CB-CG2 3.99Å
526	E	70.9	Confident	69.6	Low	88 Å²	88	70.1 Å²	70.1	41%	0.411	34%	0.34	S	S	.	.	H	α-helix	trans	-59.3	-47.2	171.7	-71.3	-180	-161.2	0	0	112.4	V522 S523 F528 L529 R530	V522-E526 PolarHBondContact O-N 2.8Å; S523-E526 PolarHBondContact O-N 2.85Å; E526-F528 PolarHBondContact O-N 3.35Å; E526-L529 PolarHBondContact O-N 3.39Å; E526-R530 PolarHBondContact O-N 3.46Å; E526-R530 IonicContact OE2-NH2 2.92Å
527	A	72.6	Confident	69.6	Low	49 Å²	49	66.9 Å²	66.9	41%	0.405	33%	0.331	S	S	.	.	H	α-helix	trans	-68.8	-13.1	178.2	0	0	0	0	0	113.2	S523	S523-A527 VanDerWaalsContact O-CB 3.24Å; S523-A527 WeakPolarHBondContact O-CB 3.36Å; S523-A527 PolarHBondContact O-N 2.89Å
528	F	72.1	Confident	69.5	Low	22 Å²	22	68 Å²	68	10%	0.096	34%	0.335	C	S	.	.	H	α-helix	trans	-85.8	-45.5	168.9	174.2	-91.5	0	0	0	111.9	L475 K479 D524 N525 E526 R530 K531 V532	L475-F528 HydrophobicContact CD1-CD2 4.26Å; L475-F528 HydrophobicContact CD1-CE2 3.59Å; L475-F528 HydrophobicContact CD1-CZ 4.47Å; L475-F528 HydrophobicContact CD2-CE2 4.46Å; L475-F528 HydrophobicContact CG-CE2 3.62Å; L475-F528 HydrophobicContact CG-CZ 4.02Å; L475-F528 WeakPolarHBondContact O-CE2 3.49Å; K479-F528 HydrophobicContact CB-CD1 4.18Å; K479-F528 HydrophobicContact CB-CD2 4.09Å; K479-F528 HydrophobicContact CB-CE1 3.64Å; K479-F528 HydrophobicContact CB-CE2 3.53Å; K479-F528 HydrophobicContact CB-CG 4.38Å; K479-F528 HydrophobicContact CB-CZ 3.3Å; K479-F528 HydrophobicContact CD-CB 4.04Å; K479-F528 HydrophobicContact CD-CD1 3.7Å; K479-F528 HydrophobicContact CD-CD2 3.7Å; K479-F528 HydrophobicContact CD-CE1 4.08Å; K479-F528 HydrophobicContact CD-CE2 4.07Å; K479-F528 HydrophobicContact CD-CG 3.5Å; K479-F528 VanDerWaalsContact CD-CG 3.5Å; K479-F528 HydrophobicContact CD-CZ 4.27Å; K479-F528 HydrophobicContact CG-CD1 3.58Å; K479-F528 HydrophobicContact CG-CD2 4.07Å; K479-F528 HydrophobicContact CG-CE1 3.47Å; K479-F528 VanDerWaalsContact CG-CE1 3.47Å; K479-F528 HydrophobicContact CG-CE2 3.97Å; K479-F528 HydrophobicContact CG-CG 3.88Å; K479-F528 HydrophobicContact CG-CZ 3.69Å; D524-F528 WeakPolarHBondContact O-CB 3.39Å; N525-F528 WeakPolarHBondContact O-CB 3.47Å; N525-F528 PolarHBondContact O-N 3.34Å; N525-F528 VanDerWaalsContact O-N 3.14Å; E526-F528 PolarHBondContact O-N 3.35Å; F528-R530 VanDerWaalsContact C-N 3.28Å; F528-R530 PolarHBondContact O-N 3.15Å; F528-K531 WeakPolarHBondContact O-CA 3.14Å; F528-K531 WeakPolarHBondContact O-CB 3.33Å; F528-K531 PolarHBondContact O-N 2.68Å; F528-V532 HydrophobicContact CD1-CG2 4.04Å; F528-V532 HydrophobicContact CE1-CG2 3.29Å; F528-V532 HydrophobicContact CE2-CG2 4.18Å; F528-V532 HydrophobicContact CZ-CG2 3.36Å; F528-V532 PolarHBondContact O-N 2.95Å; F528-V532 VanDerWaalsContact O-N 3.12Å
529	L	65.9	Low	69.2	Low	38 Å²	38	66.1 Å²	66.1	20%	0.199	33%	0.326	C	S	.	.	H	α-helix	trans	-55.2	-44.6	179.4	-71.9	170.5	0	0	0	111.1	N525 E526 K531 V532 D533 Q564 I567	N525-L529 PolarHBondContact O-N 2.89Å; E526-L529 PolarHBondContact O-N 3.39Å; L529-K531 PolarHBondContact O-N 2.86Å; L529-V532 WeakPolarHBondContact O-CA 3.42Å; L529-V532 WeakPolarHBondContact O-CB 3.32Å; L529-V532 PolarHBondContact O-N 2.94Å; L529-D533 PolarHBondContact O-N 3.35Å; L529-Q564 HydrophobicContact CD2-CB 4.27Å; L529-Q564 HydrophobicContact CD2-CG 4.32Å; L529-I567 HydrophobicContact CD1-CG2 4.28Å; L529-I567 HydrophobicContact CD2-CD1 4.21Å; L529-I567 HydrophobicContact CG-CD1 4.34Å
530	R	73.8	Confident	68.8	Low	144 Å²	144	65.5 Å²	65.5	54%	0.543	33%	0.328	S	S	.	.	H	α-helix	trans	-56.5	-34.9	174.4	-62.2	179.7	-159.5	-179.5	7.5	113.6	E526 F528 D533 E534	E526-R530 PolarHBondContact O-N 3.46Å; E526-R530 IonicContact OE2-NH2 2.92Å; F528-R530 VanDerWaalsContact C-N 3.28Å; F528-R530 PolarHBondContact O-N 3.15Å; R530-D533 PolarHBondContact O-N 3.03Å; R530-E534 WeakPolarHBondContact O-CB 3.1Å; R530-E534 WeakPolarHBondContact O-CG 3.34Å; R530-E534 PolarHBondContact O-N 2.95Å
531	K	72.3	Confident	68.1	Low	117 Å²	117	68.5 Å²	68.5	51%	0.509	34%	0.336	S	S	.	.	H	α-helix	trans	-75.4	-26.6	177.6	-69	177.6	-179.6	179.5	0	112.9	F528 L529 A535	F528-K531 WeakPolarHBondContact O-CA 3.14Å; F528-K531 WeakPolarHBondContact O-CB 3.33Å; F528-K531 PolarHBondContact O-N 2.68Å; L529-K531 PolarHBondContact O-N 2.86Å; K531-A535 WeakPolarHBondContact O-CB 3.47Å; K531-A535 PolarHBondContact O-N 2.82Å; K531-A535 VanDerWaalsContact O-N 3.08Å
532	V	65.5	Low	67.3	Low	8 Å²	8	67.8 Å²	67.8	5%	0.048	34%	0.343	C	S	.	.	H	α-helix	trans	-73.3	-45.7	169.9	172.8	0	0	0	0	109.9	L472 L475 F528 L529 E534 A535 I536 C560	L472-V532 HydrophobicContact CD1-CG1 4.42Å; L475-V532 HydrophobicContact CD2-CG2 4.12Å; F528-V532 HydrophobicContact CD1-CG2 4.04Å; F528-V532 HydrophobicContact CE1-CG2 3.29Å; F528-V532 HydrophobicContact CE2-CG2 4.18Å; F528-V532 HydrophobicContact CZ-CG2 3.36Å; F528-V532 PolarHBondContact O-N 2.95Å; F528-V532 VanDerWaalsContact O-N 3.12Å; L529-V532 WeakPolarHBondContact O-CA 3.42Å; L529-V532 WeakPolarHBondContact O-CB 3.32Å; L529-V532 PolarHBondContact O-N 2.94Å; V532-E534 VanDerWaalsContact C-N 3.32Å; V532-E534 PolarHBondContact O-N 2.84Å; V532-A535 WeakPolarHBondContact O-CA 3.35Å; V532-A535 WeakPolarHBondContact O-CB 3.32Å; V532-A535 PolarHBondContact O-N 3.48Å; V532-I536 HydrophobicContact CG1-CD1 3.7Å; V532-I536 HydrophobicContact CG1-CG1 4.29Å; V532-I536 WeakPolarHBondContact O-CG1 3.31Å; V532-I536 PolarHBondContact O-N 3.4Å; V532-C560 HydrophobicContact CG1-CB 4.28Å
533	D	66.1	Low	66.5	Low	98 Å²	98	76.1 Å²	76.1	52%	0.524	38%	0.376	S	S	.	.	H	α-helix	trans	-54.8	-48	172.4	-63.6	-42.3	0	0	0	111.1	L529 R530 A535 I536 A537	L529-D533 PolarHBondContact O-N 3.35Å; R530-D533 PolarHBondContact O-N 3.03Å; D533-A535 VanDerWaalsContact C-N 3.28Å; D533-A535 PolarHBondContact O-N 2.99Å; D533-I536 PolarHBondContact O-N 3.24Å; D533-A537 WeakPolarHBondContact O-CB 3.48Å; D533-A537 PolarHBondContact O-N 3.33Å
534	E	71.8	Confident	65.4	Low	111 Å²	111	78.8 Å²	78.8	52%	0.519	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-28.1	174.9	-76.5	167.3	-163.9	0	0	113.6	R530 V532 R538	R530-E534 WeakPolarHBondContact O-CB 3.1Å; R530-E534 WeakPolarHBondContact O-CG 3.34Å; R530-E534 PolarHBondContact O-N 2.95Å; V532-E534 VanDerWaalsContact C-N 3.32Å; V532-E534 PolarHBondContact O-N 2.84Å; E534-R538 WeakPolarHBondContact O-CG 3.37Å; E534-R538 PolarHBondContact O-N 3.17Å; E534-R538 PolarHBondContact O-NE 3.27Å; E534-R538 PolarHBondContact O-NH2 3.47Å
535	A	65.4	Low	64.3	Low	9 Å²	9	77.5 Å²	77.5	7%	0.074	37%	0.373	C	S	.	.	H	α-helix	trans	-77.9	-52	176.1	0	0	0	0	0	110.8	L472 L475 K531 V532 D533 A537 R538 C539	L472-A535 HydrophobicContact CD1-CB 3.97Å; L475-A535 HydrophobicContact CD2-CB 4.4Å; K531-A535 WeakPolarHBondContact O-CB 3.47Å; K531-A535 PolarHBondContact O-N 2.82Å; K531-A535 VanDerWaalsContact O-N 3.08Å; V532-A535 WeakPolarHBondContact O-CA 3.35Å; V532-A535 WeakPolarHBondContact O-CB 3.32Å; V532-A535 PolarHBondContact O-N 3.48Å; D533-A535 VanDerWaalsContact C-N 3.28Å; D533-A535 PolarHBondContact O-N 2.99Å; A535-A537 VanDerWaalsContact C-N 3.26Å; A535-A537 PolarHBondContact O-N 3.16Å; A535-R538 WeakPolarHBondContact O-CA 3.49Å; A535-R538 WeakPolarHBondContact O-CB 3.32Å; A535-R538 PolarHBondContact O-N 2.89Å; A535-C539 PolarHBondContact O-N 3.27Å; A535-C539 PolarHBondContact O-SG 3.03Å
536	I	62.8	Low	63.3	Low	34 Å²	34	80 Å²	80	17%	0.174	39%	0.389	C	S	.	.	H	α-helix	trans	-55.5	-43	174.9	-64.1	169.7	0	0	0	110.3	L472 V532 D533 R538 C539 N540	L472-I536 HydrophobicContact CD2-CG1 4.36Å; V532-I536 HydrophobicContact CG1-CD1 3.7Å; V532-I536 HydrophobicContact CG1-CG1 4.29Å; V532-I536 WeakPolarHBondContact O-CG1 3.31Å; V532-I536 PolarHBondContact O-N 3.4Å; D533-I536 PolarHBondContact O-N 3.24Å; I536-R538 PolarHBondContact O-N 3.36Å; I536-C539 PolarHBondContact O-N 3.37Å; I536-N540 WeakPolarHBondContact O-CB 3.37Å; I536-N540 VanDerWaalsContact O-CG 3.29Å; I536-N540 PolarHBondContact O-N 3.04Å; I536-N540 PolarHBondContact O-OD1 3.09Å
537	A	68.1	Low	62.4	Low	49 Å²	49	83.1 Å²	83.1	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-72.8	-1.8	176.5	0	0	0	0	0	115.3	D533 A535 R541	D533-A537 WeakPolarHBondContact O-CB 3.48Å; D533-A537 PolarHBondContact O-N 3.33Å; A535-A537 VanDerWaalsContact C-N 3.26Å; A535-A537 PolarHBondContact O-N 3.16Å; A537-R541 WeakPolarHBondContact O-CG 3.47Å; A537-R541 PolarHBondContact O-NE 2.78Å
538	R	66.2	Low	61.2	Low	135 Å²	135	84.2 Å²	84.2	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-94.1	-48.1	163.9	-83	172.7	-78.3	166	-3.1	110.6	E534 A535 I536 N540 R541	E534-R538 WeakPolarHBondContact O-CG 3.37Å; E534-R538 PolarHBondContact O-N 3.17Å; E534-R538 PolarHBondContact O-NE 3.27Å; E534-R538 PolarHBondContact O-NH2 3.47Å; A535-R538 WeakPolarHBondContact O-CA 3.49Å; A535-R538 WeakPolarHBondContact O-CB 3.32Å; A535-R538 PolarHBondContact O-N 2.89Å; I536-R538 PolarHBondContact O-N 3.36Å; R538-N540 VanDerWaalsContact C-N 3.31Å; R538-N540 PolarHBondContact O-N 2.8Å; R538-R541 WeakPolarHBondContact O-CB 3.23Å; R538-R541 WeakPolarHBondContact O-CG 3.29Å; R538-R541 PolarHBondContact O-N 2.79Å
539	C	60.2	Low	60.2	Low	3 Å²	3	83.5 Å²	83.5	2%	0.02	41%	0.406	C	S	.	.	H	α-helix	trans	-53.9	-47	177.4	-55.3	0	0	0	0	111.8	A535 I536 R541 G542 Y553	A535-C539 PolarHBondContact O-N 3.27Å; A535-C539 PolarHBondContact O-SG 3.03Å; I536-C539 PolarHBondContact O-N 3.37Å; C539-R541 PolarHBondContact O-N 2.96Å; C539-G542 PolarHBondContact O-N 3.08Å; C539-Y553 HydrophobicContact CB-CD1 4.34Å; C539-Y553 HydrophobicContact CB-CE1 3.35Å; C539-Y553 WeakPolarHBondContact CB-OH 3.34Å; C539-Y553 VanDerWaalsContact SG-CE1 3.52Å; C539-Y553 PolarHBondContact SG-OH 3.26Å
540	N	61.6	Low	59.6	Low	115 Å²	115	86.2 Å²	86.2	62%	0.615	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	9.1	-179.2	-64.1	2.1	0	0	0	114.3	I536 R538	I536-N540 WeakPolarHBondContact O-CB 3.37Å; I536-N540 VanDerWaalsContact O-CG 3.29Å; I536-N540 PolarHBondContact O-N 3.04Å; I536-N540 PolarHBondContact O-OD1 3.09Å; R538-N540 VanDerWaalsContact C-N 3.31Å; R538-N540 PolarHBondContact O-N 2.8Å
541	R	60.6	Low	59	Low	192 Å²	192	85.7 Å²	85.7	73%	0.725	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-16.5	171.8	-57.8	-176.4	-171.3	-152.4	-1.2	113	A537 R538 C539 K543	A537-R541 WeakPolarHBondContact O-CG 3.47Å; A537-R541 PolarHBondContact O-NE 2.78Å; R538-R541 WeakPolarHBondContact O-CB 3.23Å; R538-R541 WeakPolarHBondContact O-CG 3.29Å; R538-R541 PolarHBondContact O-N 2.79Å; C539-R541 PolarHBondContact O-N 2.96Å; R541-K543 PolarHBondContact O-N 3.12Å
542	G	54.5	Low	58.2	Low	31 Å²	31	85.6 Å²	85.6	32%	0.32	42%	0.421	S	S	.	.			trans	-71	111.7	170.4	0	0	0	0	0	109.9	C539 E544	C539-G542 PolarHBondContact O-N 3.08Å; G542-E544 PolarHBondContact O-N 2.84Å
543	K	51.7	Low	57.7	Low	213 Å²	213	86.2 Å²	86.2	93%	0.926	42%	0.422	S	S	*	.	S	Bend	trans	-69.4	-16.4	-178.8	-76.2	-172	174.2	-176.5	0	114.3	R541	R541-K543 PolarHBondContact O-N 3.12Å
544	E	49.4	Very low	57.4	Low	124 Å²	124	86.5 Å²	86.5	58%	0.579	42%	0.421	S	S	*	.			trans	-131.5	102.1	-176.7	-66.2	180	166.1	0	0	109.5	L458 G542	L458-E544 VanDerWaalsContact CD1-OE2 3.3Å; L458-E544 WeakPolarHBondContact CD1-OE2 3.3Å; G542-E544 PolarHBondContact O-N 2.84Å
545	M	48	Very low	57.1	Low	45 Å²	45	85.3 Å²	85.3	22%	0.222	42%	0.421	C	S	.	.			trans	-112.2	134	170.4	-90.4	-159.5	70.5	0	0	109.5	T465 N549 Y553	T465-M545 HydrophobicContact CG2-CG 4.22Å; M545-N549 HydrophobicContact CE-CB 3.49Å; M545-N549 VanDerWaalsContact CE-CB 3.49Å; M545-Y553 HydrophobicContact CE-CD2 3.26Å; M545-Y553 HydrophobicContact CE-CE2 3.52Å; M545-Y553 HydrophobicContact CE-CG 4.16Å; M545-Y553 HydrophobicContact SD-CD2 3.99Å; M545-Y553 HydrophobicContact SD-CE2 4.06Å; M545-Y553 HydrophobicContact SD-CG 4.49Å
546	P	50.6	Low	56.6	Low	54 Å²	54	85.9 Å²	85.9	35%	0.351	42%	0.422	S	S	.	.			trans	-71.1	145.3	171.6	-15.6	29.9	0	0	0	111.4	Y462 S548 N549 Q550	Y462-P546 HydrophobicContact CD2-CG 3.82Å; Y462-P546 HydrophobicContact CE2-CG 4.07Å; P546-S548 PolarHBondContact O-N 2.91Å; P546-N549 PolarHBondContact O-N 3.27Å; P546-Q550 PolarHBondContact O-N 2.94Å
547	E	51.3	Low	56.5	Low	154 Å²	154	87.8 Å²	87.8	72%	0.72	43%	0.431	S	S	*	.	H	α-helix	trans	-51.9	-33.3	178.9	-59.4	-175.6	160.3	0	0	113.7	N549 Q550 K551	E547-N549 VanDerWaalsContact C-N 3.29Å; E547-N549 PolarHBondContact O-N 3.26Å; E547-Q550 PolarHBondContact O-N 3.46Å; E547-K551 PolarHBondContact O-N 3.33Å; E547-K551 VanDerWaalsContact O-N 3.15Å
548	S	47	Very low	56.6	Low	72 Å²	72	91.5 Å²	91.5	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-59.3	-40.3	176.5	58.7	0	0	0	0	112.6	P546	P546-S548 PolarHBondContact O-N 2.91Å
549	N	51.1	Low	56.3	Low	8 Å²	8	86.6 Å²	86.6	4%	0.043	42%	0.422	C	S	.	.	H	α-helix	trans	-86.4	-30.7	-178.8	-62.4	22.9	0	0	0	109.6	Y462 M545 P546 E547 K551 Q552 Y553	Y462-N549 WeakPolarHBondContact CE2-ND2 3.47Å; M545-N549 HydrophobicContact CE-CB 3.49Å; M545-N549 VanDerWaalsContact CE-CB 3.49Å; P546-N549 PolarHBondContact O-N 3.27Å; E547-N549 VanDerWaalsContact C-N 3.29Å; E547-N549 PolarHBondContact O-N 3.26Å; N549-K551 VanDerWaalsContact C-N 3.33Å; N549-K551 PolarHBondContact O-N 2.7Å; N549-Q552 WeakPolarHBondContact O-CA 3.42Å; N549-Q552 WeakPolarHBondContact O-CB 3.35Å; N549-Q552 PolarHBondContact O-N 3.25Å; N549-Y553 WeakPolarHBondContact O-CD2 3.48Å; N549-Y553 PolarHBondContact O-N 3.31Å
550	Q	54.1	Low	56	Low	94 Å²	94	87.2 Å²	87.2	44%	0.439	43%	0.426	S	S	.	.	H	α-helix	trans	-60	-42.1	175.7	-169.2	169.6	-34.1	0	0	111.8	P546 E547 Q552 Y553 E554	P546-Q550 PolarHBondContact O-N 2.94Å; E547-Q550 PolarHBondContact O-N 3.46Å; Q550-Q552 VanDerWaalsContact C-N 3.27Å; Q550-Q552 PolarHBondContact O-N 3.43Å; Q550-Y553 WeakPolarHBondContact O-CA 3.26Å; Q550-Y553 WeakPolarHBondContact O-CB 3.36Å; Q550-Y553 PolarHBondContact O-N 2.87Å; Q550-E554 WeakPolarHBondContact O-CG 3.24Å; Q550-E554 PolarHBondContact O-N 2.88Å
551	K	61.6	Low	56	Low	134 Å²	134	86.7 Å²	86.7	58%	0.583	42%	0.416	S	S	*	.	H	α-helix	trans	-61.7	-31.7	172.4	-69.8	178	-177.1	174	0	113.7	E547 N549 T555	E547-K551 PolarHBondContact O-N 3.33Å; E547-K551 VanDerWaalsContact O-N 3.15Å; N549-K551 VanDerWaalsContact C-N 3.33Å; N549-K551 PolarHBondContact O-N 2.7Å; K551-T555 WeakPolarHBondContact O-CB 3.47Å; K551-T555 PolarHBondContact O-N 2.65Å; K551-T555 VanDerWaalsContact O-N 3.13Å; K551-T555 PolarHBondContact O-OG1 3.28Å
552	Q	55.6	Low	56.2	Low	114 Å²	114	81.8 Å²	81.8	53%	0.533	40%	0.401	S	S	.	.	H	α-helix	trans	-69.8	-40.1	172.6	-67.2	-177.8	-28.5	0	0	111.1	N549 Q550 T555 L556	N549-Q552 WeakPolarHBondContact O-CA 3.42Å; N549-Q552 WeakPolarHBondContact O-CB 3.35Å; N549-Q552 PolarHBondContact O-N 3.25Å; Q550-Q552 VanDerWaalsContact C-N 3.27Å; Q550-Q552 PolarHBondContact O-N 3.43Å; Q552-T555 WeakPolarHBondContact O-CB 3.32Å; Q552-T555 PolarHBondContact O-N 3.18Å; Q552-L556 VanDerWaalsContact O-CG 3.31Å; Q552-L556 WeakPolarHBondContact O-CG 3.48Å; Q552-L556 PolarHBondContact O-N 2.88Å
553	Y	54.9	Low	56.3	Low	22 Å²	22	80.6 Å²	80.6	9%	0.086	39%	0.387	C	S	.	.	H	α-helix	trans	-65.8	-43.3	174.3	-90.9	-89.5	0	0	0	113.1	T465 A469 L472 C539 M545 N549 Q550 T555 L556 E557	T465-Y553 PolarHBondContact O-OH 2.96Å; A469-Y553 WeakPolarHBondContact CA-OH 3.32Å; A469-Y553 HydrophobicContact CB-CE2 3.59Å; A469-Y553 PolarHBondContact N-OH 3.15Å; A469-Y553 VanDerWaalsContact N-OH 3.12Å; L472-Y553 HydrophobicContact CD2-CD1 4.43Å; L472-Y553 HydrophobicContact CD2-CE1 3.99Å; C539-Y553 HydrophobicContact CB-CD1 4.34Å; C539-Y553 HydrophobicContact CB-CE1 3.35Å; C539-Y553 WeakPolarHBondContact CB-OH 3.34Å; C539-Y553 VanDerWaalsContact SG-CE1 3.52Å; C539-Y553 PolarHBondContact SG-OH 3.26Å; M545-Y553 HydrophobicContact CE-CD2 3.26Å; M545-Y553 HydrophobicContact CE-CE2 3.52Å; M545-Y553 HydrophobicContact CE-CG 4.16Å; M545-Y553 HydrophobicContact SD-CD2 3.99Å; M545-Y553 HydrophobicContact SD-CE2 4.06Å; M545-Y553 HydrophobicContact SD-CG 4.49Å; N549-Y553 WeakPolarHBondContact O-CD2 3.48Å; N549-Y553 PolarHBondContact O-N 3.31Å; Q550-Y553 WeakPolarHBondContact O-CA 3.26Å; Q550-Y553 WeakPolarHBondContact O-CB 3.36Å; Q550-Y553 PolarHBondContact O-N 2.87Å; Y553-T555 PolarHBondContact O-N 3.47Å; Y553-L556 CarbonylContact O-C 3.58Å; Y553-L556 PolarHBondContact O-N 3.22Å; Y553-L556 VanDerWaalsContact O-N 3.14Å; Y553-E557 WeakPolarHBondContact O-CB 3.49Å; Y553-E557 PolarHBondContact O-N 3.04Å
554	E	59.8	Low	56.6	Low	104 Å²	104	73.3 Å²	73.3	49%	0.486	36%	0.357	S	S	.	.	H	α-helix	trans	-57	-38.2	173	-70.4	162.7	-175.6	0	0	111.4	Q550 K558	Q550-E554 WeakPolarHBondContact O-CG 3.24Å; Q550-E554 PolarHBondContact O-N 2.88Å; E554-K558 WeakPolarHBondContact O-CB 3.32Å; E554-K558 PolarHBondContact O-N 2.62Å
555	T	63.9	Low	57.3	Low	86 Å²	86	69.5 Å²	69.5	53%	0.528	35%	0.346	S	S	.	.	H	α-helix	trans	-69.2	-44.3	174.9	-54.9	0	0	0	0	111.9	K551 Q552 Y553 K558 D559	K551-T555 WeakPolarHBondContact O-CB 3.47Å; K551-T555 PolarHBondContact O-N 2.65Å; K551-T555 VanDerWaalsContact O-N 3.13Å; K551-T555 PolarHBondContact O-OG1 3.28Å; Q552-T555 WeakPolarHBondContact O-CB 3.32Å; Q552-T555 PolarHBondContact O-N 3.18Å; Y553-T555 PolarHBondContact O-N 3.47Å; T555-K558 PolarHBondContact O-N 3.3Å; T555-D559 WeakPolarHBondContact O-CB 3.4Å; T555-D559 PolarHBondContact O-N 3.42Å
556	L	55.1	Low	57.8	Low	20 Å²	20	71.5 Å²	71.5	11%	0.105	36%	0.355	C	S	.	.	H	α-helix	trans	-67.7	-33.8	177.4	-70.5	169.2	0	0	0	112.4	L472 E473 I476 Q552 Y553 D559 C560	L472-L556 HydrophobicContact CD2-CB 4.46Å; L472-L556 HydrophobicContact CD2-CD1 4.4Å; E473-L556 HydrophobicContact CB-CD2 4.34Å; E473-L556 HydrophobicContact CG-CD2 4.31Å; I476-L556 HydrophobicContact CD1-CB 4.33Å; I476-L556 HydrophobicContact CD1-CD2 3.9Å; Q552-L556 VanDerWaalsContact O-CG 3.31Å; Q552-L556 WeakPolarHBondContact O-CG 3.48Å; Q552-L556 PolarHBondContact O-N 2.88Å; Y553-L556 CarbonylContact O-C 3.58Å; Y553-L556 PolarHBondContact O-N 3.22Å; Y553-L556 VanDerWaalsContact O-N 3.14Å; L556-D559 WeakPolarHBondContact O-CB 3.49Å; L556-D559 PolarHBondContact O-N 2.92Å; L556-C560 PolarHBondContact O-N 3.03Å; L556-C560 PolarHBondContact O-SG 3.3Å
557	E	61.9	Low	57.9	Low	75 Å²	75	69 Å²	69	35%	0.35	34%	0.339	S	S	.	.	H	α-helix	trans	-69.2	-43.4	175.1	-156.6	-169	151.3	0	0	110.4	Y553 D559 C560 Y561	Y553-E557 WeakPolarHBondContact O-CB 3.49Å; Y553-E557 PolarHBondContact O-N 3.04Å; E557-D559 PolarHBondContact O-N 3.41Å; E557-C560 WeakPolarHBondContact O-CA 3.17Å; E557-C560 WeakPolarHBondContact O-CB 3.29Å; E557-C560 PolarHBondContact O-N 3.14Å; E557-C560 VanDerWaalsContact O-N 3.09Å; E557-Y561 HydrophobicContact CB-CE2 4.48Å; E557-Y561 HydrophobicContact CG-CD2 4.27Å; E557-Y561 HydrophobicContact CG-CE2 3.59Å; E557-Y561 WeakPolarHBondContact O-CD2 3.3Å; E557-Y561 PolarHBondContact O-N 2.87Å; E557-Y561 WeakPolarHBondContact OE1-CE2 3.29Å; E557-Y561 VanDerWaalsContact OE1-CZ 3.28Å; E557-Y561 PolarHBondContact OE1-OH 3.37Å
558	K	69.9	Low	58.1	Low	126 Å²	126	64.8 Å²	64.8	55%	0.548	32%	0.319	S	S	.	.	H	α-helix	trans	-58.9	-45.4	171.4	-172.6	177.6	-179.5	-85.8	0	112.1	E554 T555 C560 Y561 E562	E554-K558 WeakPolarHBondContact O-CB 3.32Å; E554-K558 PolarHBondContact O-N 2.62Å; T555-K558 PolarHBondContact O-N 3.3Å; K558-C560 PolarHBondContact O-N 2.96Å; K558-Y561 PolarHBondContact O-N 3.39Å; K558-Y561 VanDerWaalsContact O-N 3.17Å; K558-E562 IonicContact NZ-OE1 2.63Å; K558-E562 PolarHBondContact NZ-OE1 2.83Å; K558-E562 WeakPolarHBondContact O-CG 3.48Å; K558-E562 PolarHBondContact O-N 3.15Å
559	D	59.7	Low	58.7	Low	33 Å²	33	68.4 Å²	68.4	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-56.6	-38.3	173	-93.7	-4.9	0	0	0	112	R480 T555 L556 E557 I563	R480-D559 IonicContact CZ-OD1 3.77Å; R480-D559 IonicContact CZ-OD2 2.8Å; R480-D559 VanDerWaalsContact NH1-CG 3.29Å; R480-D559 IonicContact NH1-OD1 2.65Å; R480-D559 IonicContact NH1-OD2 2.74Å; R480-D559 PolarHBondContact NH1-OD2 3.44Å; R480-D559 IonicContact NH2-OD1 3.79Å; R480-D559 PolarHBondContact NH2-OD1 2.93Å; R480-D559 IonicContact NH2-OD2 2.75Å; R480-D559 PolarHBondContact NH2-OD2 3.45Å; T555-D559 WeakPolarHBondContact O-CB 3.4Å; T555-D559 PolarHBondContact O-N 3.42Å; L556-D559 WeakPolarHBondContact O-CB 3.49Å; L556-D559 PolarHBondContact O-N 2.92Å; E557-D559 PolarHBondContact O-N 3.41Å; D559-I563 WeakPolarHBondContact O-CB 3.49Å; D559-I563 WeakPolarHBondContact O-CD1 3.21Å; D559-I563 VanDerWaalsContact O-CG1 3.26Å; D559-I563 WeakPolarHBondContact O-CG1 3.29Å; D559-I563 PolarHBondContact O-N 3.44Å
560	C	54.3	Low	58.7	Low	15 Å²	15	69.4 Å²	69.4	10%	0.101	33%	0.331	C	S	.	.	H	α-helix	trans	-68	-42.9	175	-68.6	0	0	0	0	112.4	I476 V532 L556 E557 K558 I563 Q564	I476-C560 VanDerWaalsContact CD1-SG 3.52Å; V532-C560 HydrophobicContact CG1-CB 4.28Å; L556-C560 PolarHBondContact O-N 3.03Å; L556-C560 PolarHBondContact O-SG 3.3Å; E557-C560 WeakPolarHBondContact O-CA 3.17Å; E557-C560 WeakPolarHBondContact O-CB 3.29Å; E557-C560 PolarHBondContact O-N 3.14Å; E557-C560 VanDerWaalsContact O-N 3.09Å; K558-C560 PolarHBondContact O-N 2.96Å; C560-I563 PolarHBondContact O-N 2.87Å; C560-Q564 WeakPolarHBondContact O-CB 3.45Å; C560-Q564 PolarHBondContact O-N 2.83Å
561	Y	61.5	Low	58.6	Low	105 Å²	105	67.5 Å²	67.5	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-38.7	175.8	-69	-58.5	0	0	0	112.5	E557 K558 Q564 A565	E557-Y561 HydrophobicContact CB-CE2 4.48Å; E557-Y561 HydrophobicContact CG-CD2 4.27Å; E557-Y561 HydrophobicContact CG-CE2 3.59Å; E557-Y561 WeakPolarHBondContact O-CD2 3.3Å; E557-Y561 PolarHBondContact O-N 2.87Å; E557-Y561 WeakPolarHBondContact OE1-CE2 3.29Å; E557-Y561 VanDerWaalsContact OE1-CZ 3.28Å; E557-Y561 PolarHBondContact OE1-OH 3.37Å; K558-Y561 PolarHBondContact O-N 3.39Å; K558-Y561 VanDerWaalsContact O-N 3.17Å; Y561-Q564 PolarHBondContact O-N 3.41Å; Y561-A565 WeakPolarHBondContact O-CB 3.47Å; Y561-A565 PolarHBondContact O-N 3.07Å
562	E	65	Low	58.2	Low	88 Å²	88	66.5 Å²	66.5	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-44.4	174.4	-72.3	179.4	-163.6	0	0	111.4	K558 Q564 A565 E566	K558-E562 IonicContact NZ-OE1 2.63Å; K558-E562 PolarHBondContact NZ-OE1 2.83Å; K558-E562 WeakPolarHBondContact O-CG 3.48Å; K558-E562 PolarHBondContact O-N 3.15Å; E562-Q564 PolarHBondContact O-N 2.91Å; E562-A565 PolarHBondContact O-N 2.8Å; E562-E566 PolarHBondContact O-N 2.75Å
563	I	55.5	Low	57.8	Low	6 Å²	6	63.6 Å²	63.6	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-40.7	173.5	-75.2	166.9	0	0	0	111.9	I476 R480 L483 D559 C560 A565 E566 I567	I476-I563 HydrophobicContact CG2-CD1 3.75Å; R480-I563 HydrophobicContact CG-CD1 3.69Å; R480-I563 HydrophobicContact CG-CG1 4.26Å; L483-I563 HydrophobicContact CD1-CG2 3.7Å; D559-I563 WeakPolarHBondContact O-CB 3.49Å; D559-I563 WeakPolarHBondContact O-CD1 3.21Å; D559-I563 VanDerWaalsContact O-CG1 3.26Å; D559-I563 WeakPolarHBondContact O-CG1 3.29Å; D559-I563 PolarHBondContact O-N 3.44Å; C560-I563 PolarHBondContact O-N 2.87Å; I563-A565 VanDerWaalsContact C-N 3.35Å; I563-E566 PolarHBondContact O-N 2.86Å; I563-I567 HydrophobicContact CG2-CD1 3.84Å; I563-I567 WeakPolarHBondContact O-CG1 3.46Å; I563-I567 PolarHBondContact O-N 3.46Å
564	Q	59.4	Low	57.4	Low	60 Å²	60	63.8 Å²	63.8	28%	0.28	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-39.3	176.1	-175.7	177.3	-24.1	0	0	111.2	L529 C560 Y561 E562 I567 E568	L529-Q564 HydrophobicContact CD2-CB 4.27Å; L529-Q564 HydrophobicContact CD2-CG 4.32Å; C560-Q564 WeakPolarHBondContact O-CB 3.45Å; C560-Q564 PolarHBondContact O-N 2.83Å; Y561-Q564 PolarHBondContact O-N 3.41Å; E562-Q564 PolarHBondContact O-N 2.91Å; Q564-I567 PolarHBondContact O-N 3.06Å; Q564-E568 PolarHBondContact O-N 3.06Å
565	A	63.7	Low	56.6	Low	44 Å²	44	63 Å²	63	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-66.8	-34.7	174.8	0	0	0	0	0	112.8	Y561 E562 I563 K569	Y561-A565 WeakPolarHBondContact O-CB 3.47Å; Y561-A565 PolarHBondContact O-N 3.07Å; E562-A565 PolarHBondContact O-N 2.8Å; I563-A565 VanDerWaalsContact C-N 3.35Å; A565-K569 WeakPolarHBondContact O-CD 3.44Å; A565-K569 VanDerWaalsContact O-CG 3.24Å; A565-K569 WeakPolarHBondContact O-CG 3.33Å; A565-K569 PolarHBondContact O-N 2.99Å
566	E	58.6	Low	55.9	Low	87 Å²	87	65 Å²	65	41%	0.407	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-44.7	168.8	-72	-166.4	152.5	0	0	112	E562 I563 E568 K569 L570	E562-E566 PolarHBondContact O-N 2.75Å; I563-E566 PolarHBondContact O-N 2.86Å; E566-E568 VanDerWaalsContact C-N 3.34Å; E566-E568 PolarHBondContact O-N 3.15Å; E566-K569 PolarHBondContact O-N 2.9Å; E566-L570 WeakPolarHBondContact O-CB 3.42Å; E566-L570 WeakPolarHBondContact O-CG 3.23Å; E566-L570 PolarHBondContact O-N 3.36Å
567	I	52.1	Low	55.4	Low	1 Å²	1	69 Å²	69	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-60.9	-42.1	175.8	-72.5	166.1	0	0	0	110.9	L483 N525 L529 I563 Q564 L570 I571	L483-I567 HydrophobicContact CD1-CD1 4.32Å; L483-I567 HydrophobicContact CD1-CG1 4.28Å; L483-I567 HydrophobicContact CD2-CD1 4.4Å; L483-I567 HydrophobicContact CD2-CG1 3.79Å; N525-I567 HydrophobicContact CB-CD1 4.28Å; N525-I567 HydrophobicContact CB-CG1 4.35Å; N525-I567 HydrophobicContact CB-CG2 3.99Å; L529-I567 HydrophobicContact CD1-CG2 4.28Å; L529-I567 HydrophobicContact CD2-CD1 4.21Å; L529-I567 HydrophobicContact CG-CD1 4.34Å; I563-I567 HydrophobicContact CG2-CD1 3.84Å; I563-I567 WeakPolarHBondContact O-CG1 3.46Å; I563-I567 PolarHBondContact O-N 3.46Å; Q564-I567 PolarHBondContact O-N 3.06Å; I567-L570 CarbonylContact O-C 3.25Å; I567-L570 WeakPolarHBondContact O-CB 3.29Å; I567-L570 PolarHBondContact O-N 3.15Å; I567-I571 HydrophobicContact CG2-CD1 3.69Å; I567-I571 HydrophobicContact CG2-CG1 4.41Å; I567-I571 VanDerWaalsContact O-CG1 3.29Å; I567-I571 WeakPolarHBondContact O-CG1 3.46Å; I567-I571 PolarHBondContact O-N 3.27Å
568	E	56.3	Low	54.6	Low	67 Å²	67	68 Å²	68	31%	0.313	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-38.7	175.7	-80.6	-165.3	-148.2	0	0	112.9	Q564 E566 L570 I571 K572	Q564-E568 PolarHBondContact O-N 3.06Å; E566-E568 VanDerWaalsContact C-N 3.34Å; E566-E568 PolarHBondContact O-N 3.15Å; E568-L570 VanDerWaalsContact C-N 3.29Å; E568-L570 PolarHBondContact O-N 3.4Å; E568-I571 PolarHBondContact O-N 3.14Å; E568-K572 VanDerWaalsContact O-CB 3.3Å; E568-K572 WeakPolarHBondContact O-CB 3.33Å; E568-K572 WeakPolarHBondContact O-CD 3.4Å; E568-K572 VanDerWaalsContact O-CG 3.29Å; E568-K572 WeakPolarHBondContact O-CG 3.44Å; E568-K572 PolarHBondContact O-N 2.83Å; E568-K572 IonicContact OE2-NZ 3.11Å; E568-K572 PolarHBondContact OE2-NZ 3.34Å
569	K	59.8	Low	53.7	Low	148 Å²	148	65.5 Å²	65.5	64%	0.643	34%	0.336	S	S	*	.	H	α-helix	trans	-60.7	-40.7	171.6	-72.6	164.4	-173.4	171.8	0	111	A565 E566 A573	A565-K569 WeakPolarHBondContact O-CD 3.44Å; A565-K569 VanDerWaalsContact O-CG 3.24Å; A565-K569 WeakPolarHBondContact O-CG 3.33Å; A565-K569 PolarHBondContact O-N 2.99Å; E566-K569 PolarHBondContact O-N 2.9Å; K569-A573 WeakPolarHBondContact O-CB 3.42Å; K569-A573 PolarHBondContact O-N 3.07Å
570	L	49.9	Very low	53.2	Low	28 Å²	28	69.6 Å²	69.6	15%	0.147	35%	0.354	C	S	.	.	H	α-helix	trans	-69.7	-30.9	177.1	-73.2	165.5	0	0	0	113.5	L483 L487 L490 E566 I567 E568 P574	L483-L570 HydrophobicContact CD2-CD1 4.1Å; L487-L570 HydrophobicContact CD2-CD1 4.35Å; L487-L570 HydrophobicContact CD2-CD2 3.9Å; L487-L570 HydrophobicContact CD2-CG 4.49Å; L487-L570 HydrophobicContact CG-CD1 4.45Å; L490-L570 HydrophobicContact CD1-CD2 3.53Å; E566-L570 WeakPolarHBondContact O-CB 3.42Å; E566-L570 WeakPolarHBondContact O-CG 3.23Å; E566-L570 PolarHBondContact O-N 3.36Å; I567-L570 CarbonylContact O-C 3.25Å; I567-L570 WeakPolarHBondContact O-CB 3.29Å; I567-L570 PolarHBondContact O-N 3.15Å; E568-L570 VanDerWaalsContact C-N 3.29Å; E568-L570 PolarHBondContact O-N 3.4Å; L570-P574 WeakPolarHBondContact O-CD 3.47Å
571	I	51.5	Low	53	Low	55 Å²	55	72.8 Å²	72.8	28%	0.282	37%	0.369	S	S	.	.	H	α-helix	trans	-75.8	-41.1	174	-70.1	165.9	0	0	0	111	V522 I567 E568 P574	V522-I571 HydrophobicContact CG1-CD1 4.34Å; V522-I571 HydrophobicContact CG1-CG1 4.16Å; V522-I571 HydrophobicContact CG2-CG1 4.11Å; I567-I571 HydrophobicContact CG2-CD1 3.69Å; I567-I571 HydrophobicContact CG2-CG1 4.41Å; I567-I571 VanDerWaalsContact O-CG1 3.29Å; I567-I571 WeakPolarHBondContact O-CG1 3.46Å; I567-I571 PolarHBondContact O-N 3.27Å; E568-I571 PolarHBondContact O-N 3.14Å; I571-P574 WeakPolarHBondContact O-CD 3.3Å
572	K	53.3	Low	52.6	Low	112 Å²	112	75 Å²	75	49%	0.487	38%	0.377	S	S	.	.	H	α-helix	trans	-78	-21.8	-178.3	-70.4	163.9	177.4	165.2	0	113.8	E568 D575 N576	E568-K572 VanDerWaalsContact O-CB 3.3Å; E568-K572 WeakPolarHBondContact O-CB 3.33Å; E568-K572 WeakPolarHBondContact O-CD 3.4Å; E568-K572 VanDerWaalsContact O-CG 3.29Å; E568-K572 WeakPolarHBondContact O-CG 3.44Å; E568-K572 PolarHBondContact O-N 2.83Å; E568-K572 IonicContact OE2-NZ 3.11Å; E568-K572 PolarHBondContact OE2-NZ 3.34Å; K572-D575 PolarHBondContact O-N 2.8Å; K572-N576 PolarHBondContact O-N 3.19Å
573	A	47.9	Very low	52.3	Low	53 Å²	53	76.3 Å²	76.3	44%	0.438	38%	0.383	S	S	.	.	H	α-helix	trans	-61.5	-45.9	177.7	0	0	0	0	0	113.4	K569 D575 N576	K569-A573 WeakPolarHBondContact O-CB 3.42Å; K569-A573 PolarHBondContact O-N 3.07Å; A573-D575 VanDerWaalsContact C-N 3.33Å; A573-D575 PolarHBondContact O-N 3.48Å; A573-N576 PolarHBondContact O-N 2.87Å
574	P	45.8	Very low	52.1	Low	27 Å²	27	80 Å²	80	18%	0.175	40%	0.402	C	S	.	.	H	α-helix	trans	-56.7	-37.7	167.8	-28	33.6	0	0	0	114.9	L570 I571 N576 L577 Y578	L570-P574 WeakPolarHBondContact O-CD 3.47Å; I571-P574 WeakPolarHBondContact O-CD 3.3Å; P574-N576 PolarHBondContact O-N 2.99Å; P574-L577 PolarHBondContact O-N 3.39Å; P574-Y578 HydrophobicContact CB-CD2 3.85Å; P574-Y578 HydrophobicContact CB-CE2 3.6Å; P574-Y578 VanDerWaalsContact O-CD2 3.23Å; P574-Y578 WeakPolarHBondContact O-CD2 3.32Å; P574-Y578 PolarHBondContact O-N 3.34Å
575	D	44.5	Very low	51.9	Low	88 Å²	88	82.4 Å²	82.4	47%	0.471	41%	0.414	S	S	.	.	H	α-helix	trans	-68.1	-16.9	-175.6	-74.3	-26.3	0	0	0	113.9	K572 A573 P579	K572-D575 PolarHBondContact O-N 2.8Å; A573-D575 VanDerWaalsContact C-N 3.33Å; A573-D575 PolarHBondContact O-N 3.48Å; D575-P579 WeakPolarHBondContact O-CD 3.4Å; D575-P579 WeakPolarHBondContact O-CG 3.23Å
576	N	48.4	Very low	51.9	Low	128 Å²	128	87.4 Å²	87.4	68%	0.684	43%	0.429	S	S	*	.	H	α-helix	trans	-81.5	-22.3	169.4	-69.8	-37.4	0	0	0	113.2	K572 A573 P574	K572-N576 PolarHBondContact O-N 3.19Å; A573-N576 PolarHBondContact O-N 2.87Å; P574-N576 PolarHBondContact O-N 2.99Å
577	L	45.2	Very low	52.1	Low	102 Å²	102	87.2 Å²	87.2	53%	0.534	43%	0.428	S	S	.	.	H	α-helix	trans	-93.5	-36.3	179.3	-74.2	160.2	0	0	0	112.2	P574 P579 Q580 I581	P574-L577 PolarHBondContact O-N 3.39Å; L577-P579 VanDerWaalsContact C-CD 3.45Å; L577-Q580 PolarHBondContact O-N 3.43Å; L577-I581 HydrophobicContact CB-CD1 4.22Å; L577-I581 WeakPolarHBondContact O-CG1 3.35Å; L577-I581 PolarHBondContact O-N 3.02Å
578	Y	45.2	Very low	52.4	Low	55 Å²	55	90.5 Å²	90.5	22%	0.216	45%	0.445	C	S	.	.	H	α-helix	trans	-58.2	-33.8	-177.7	-86.5	-57.6	0	0	0	116.5	N515 P574 R582	N515-Y578 PolarHBondContact ND2-OH 3.32Å; P574-Y578 HydrophobicContact CB-CD2 3.85Å; P574-Y578 HydrophobicContact CB-CE2 3.6Å; P574-Y578 VanDerWaalsContact O-CD2 3.23Å; P574-Y578 WeakPolarHBondContact O-CD2 3.32Å; P574-Y578 PolarHBondContact O-N 3.34Å; Y578-R582 WeakPolarHBondContact O-CB 3.45Å; Y578-R582 PolarHBondContact O-N 2.74Å
579	P	49.5	Very low	52.7	Low	74 Å²	74	91.2 Å²	91.2	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-66.8	-47.3	176.1	-22.6	34.4	0	0	0	111.5	D575 L577 R582 Q583	D575-P579 WeakPolarHBondContact O-CD 3.4Å; D575-P579 WeakPolarHBondContact O-CG 3.23Å; L577-P579 VanDerWaalsContact C-CD 3.45Å; P579-R582 PolarHBondContact O-N 3.11Å; P579-Q583 WeakPolarHBondContact O-CB 3.49Å; P579-Q583 PolarHBondContact O-N 2.97Å
580	Q	49.5	Very low	52.9	Low	119 Å²	119	86.3 Å²	86.3	56%	0.556	44%	0.435	S	S	*	.	H	α-helix	trans	-65.5	-43.2	179.7	-66.2	-178.6	-13.6	0	0	111.5	L577 Q583 L584	L577-Q580 PolarHBondContact O-N 3.43Å; Q580-Q583 PolarHBondContact O-N 3.35Å; Q580-L584 WeakPolarHBondContact O-CB 3.38Å; Q580-L584 WeakPolarHBondContact O-CG 3.43Å; Q580-L584 PolarHBondContact O-N 2.78Å
581	I	50.3	Low	53.3	Low	81 Å²	81	89.5 Å²	89.5	42%	0.415	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-46.6	175.6	-67.2	168.8	0	0	0	110.8	L577 Q583 L584 E585	L577-I581 HydrophobicContact CB-CD1 4.22Å; L577-I581 WeakPolarHBondContact O-CG1 3.35Å; L577-I581 PolarHBondContact O-N 3.02Å; I581-Q583 PolarHBondContact O-N 2.94Å; I581-L584 PolarHBondContact O-N 2.91Å; I581-E585 HydrophobicContact CG2-CG 4.49Å; I581-E585 WeakPolarHBondContact O-CG 3.31Å; I581-E585 PolarHBondContact O-N 3.38Å
582	R	53.2	Low	53.8	Low	151 Å²	151	91.7 Å²	91.7	57%	0.57	46%	0.459	S	S	*	.	H	α-helix	trans	-68.5	-33	178.6	-83.2	-172.2	-81.8	-171	-8.1	113.3	Y578 P579 E585 H586	Y578-R582 WeakPolarHBondContact O-CB 3.45Å; Y578-R582 PolarHBondContact O-N 2.74Å; P579-R582 PolarHBondContact O-N 3.11Å; R582-E585 PolarHBondContact O-N 3.04Å; R582-H586 VanDerWaalsContact O-CB 3.31Å; R582-H586 WeakPolarHBondContact O-CB 3.45Å; R582-H586 PolarHBondContact O-N 3.28Å
583	Q	59.2	Low	54.4	Low	116 Å²	116	90.4 Å²	90.4	54%	0.542	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-44.8	173.2	-174.3	170.2	-14	0	0	110.7	P579 Q580 I581 H586 E587	P579-Q583 WeakPolarHBondContact O-CB 3.49Å; P579-Q583 PolarHBondContact O-N 2.97Å; Q580-Q583 PolarHBondContact O-N 3.35Å; I581-Q583 PolarHBondContact O-N 2.94Å; Q583-H586 PolarHBondContact O-N 3.19Å; Q583-E587 PolarHBondContact NE2-OE1 3.26Å; Q583-E587 WeakPolarHBondContact O-CB 3.4Å; Q583-E587 WeakPolarHBondContact O-CG 3.31Å; Q583-E587 PolarHBondContact O-N 3.32Å
584	L	51.8	Low	55.1	Low	83 Å²	83	93.8 Å²	93.8	44%	0.435	46%	0.459	S	S	.	.	H	α-helix	trans	-62.9	-41.9	173.7	-71.3	169.1	0	0	0	112.5	Q580 I581 H586 E587 I588	Q580-L584 WeakPolarHBondContact O-CB 3.38Å; Q580-L584 WeakPolarHBondContact O-CG 3.43Å; Q580-L584 PolarHBondContact O-N 2.78Å; I581-L584 PolarHBondContact O-N 2.91Å; L584-H586 VanDerWaalsContact C-N 3.33Å; L584-H586 PolarHBondContact O-N 2.94Å; L584-E587 PolarHBondContact O-N 3.42Å; L584-I588 VanDerWaalsContact O-CB 3.23Å; L584-I588 WeakPolarHBondContact O-CB 3.47Å; L584-I588 WeakPolarHBondContact O-CD1 3.27Å; L584-I588 WeakPolarHBondContact O-CG1 3.33Å; L584-I588 PolarHBondContact O-N 3.05Å
585	E	53.8	Low	55.5	Low	112 Å²	112	96.1 Å²	96.1	52%	0.523	48%	0.475	S	S	.	.	H	α-helix	trans	-58.7	-44.2	173.1	-74.5	179.1	138.1	0	0	111.5	I581 R582 I588 D589	I581-E585 HydrophobicContact CG2-CG 4.49Å; I581-E585 WeakPolarHBondContact O-CG 3.31Å; I581-E585 PolarHBondContact O-N 3.38Å; R582-E585 PolarHBondContact O-N 3.04Å; E585-I588 PolarHBondContact O-N 3.3Å; E585-D589 PolarHBondContact O-N 2.65Å
586	H	64.8	Low	56.3	Low	148 Å²	148	99.4 Å²	99.4	69%	0.685	48%	0.481	S	S	*	.	H	α-helix	trans	-72.5	-32.7	-178.7	-155	-41.3	0	0	0	113	R582 Q583 L584 S590	R582-H586 VanDerWaalsContact O-CB 3.31Å; R582-H586 WeakPolarHBondContact O-CB 3.45Å; R582-H586 PolarHBondContact O-N 3.28Å; Q583-H586 PolarHBondContact O-N 3.19Å; L584-H586 VanDerWaalsContact C-N 3.33Å; L584-H586 PolarHBondContact O-N 2.94Å; H586-S590 VanDerWaalsContact O-CB 3.27Å; H586-S590 WeakPolarHBondContact O-CB 3.39Å; H586-S590 PolarHBondContact O-N 3.01Å
587	E	62	Low	57.1	Low	84 Å²	84	98.7 Å²	98.7	39%	0.393	47%	0.473	S	S	.	.	H	α-helix	trans	-71.2	-43	171.5	-74.5	-179.4	-161.5	0	0	111.3	Q583 L584 D589 S590 I591	Q583-E587 PolarHBondContact NE2-OE1 3.26Å; Q583-E587 WeakPolarHBondContact O-CB 3.4Å; Q583-E587 WeakPolarHBondContact O-CG 3.31Å; Q583-E587 PolarHBondContact O-N 3.32Å; L584-E587 PolarHBondContact O-N 3.42Å; E587-D589 PolarHBondContact O-N 3.23Å; E587-S590 WeakPolarHBondContact O-CB 3.34Å; E587-S590 PolarHBondContact O-N 2.91Å; E587-I591 VanDerWaalsContact O-CG1 3.29Å; E587-I591 WeakPolarHBondContact O-CG1 3.44Å; E587-I591 PolarHBondContact O-N 2.88Å
588	I	58.8	Low	57.9	Low	70 Å²	70	100.5 Å²	100.5	36%	0.359	48%	0.477	S	S	.	.	H	α-helix	trans	-60.5	-44	174.8	-75.4	167.6	0	0	0	111.1	L584 E585 I591 K592	L584-I588 VanDerWaalsContact O-CB 3.23Å; L584-I588 WeakPolarHBondContact O-CB 3.47Å; L584-I588 WeakPolarHBondContact O-CD1 3.27Å; L584-I588 WeakPolarHBondContact O-CG1 3.33Å; L584-I588 PolarHBondContact O-N 3.05Å; E585-I588 PolarHBondContact O-N 3.3Å; I588-I591 PolarHBondContact O-N 3.39Å; I588-K592 HydrophobicContact CG2-CD 4.21Å; I588-K592 WeakPolarHBondContact O-CG 3.35Å; I588-K592 PolarHBondContact O-N 3.08Å
589	D	61.8	Low	58.7	Low	81 Å²	81	105.9 Å²	105.9	43%	0.433	50%	0.497	S	S	.	.	H	α-helix	trans	-73.5	-30.4	177.8	-83.2	12.1	0	0	0	112.5	E585 E587 K592 N593	E585-D589 PolarHBondContact O-N 2.65Å; E587-D589 PolarHBondContact O-N 3.23Å; D589-K592 VanDerWaalsContact OD1-CD 3.3Å; D589-K592 WeakPolarHBondContact OD1-CD 3.04Å; D589-K592 WeakPolarHBondContact OD1-CE 3.37Å; D589-K592 IonicContact OD1-NZ 2.69Å; D589-K592 PolarHBondContact OD1-NZ 3.28Å; D589-N593 VanDerWaalsContact O-CB 3.31Å; D589-N593 WeakPolarHBondContact O-CB 3.25Å; D589-N593 VanDerWaalsContact O-CG 3.25Å; D589-N593 PolarHBondContact O-N 2.9Å; D589-N593 PolarHBondContact O-ND2 3.21Å
590	S	65.1	Low	59.3	Low	45 Å²	45	111.3 Å²	111.3	32%	0.315	51%	0.507	S	S	.	.	H	α-helix	trans	-61.1	-43.2	167.1	179.4	0	0	0	0	112.1	H586 E587 N593 R594	H586-S590 VanDerWaalsContact O-CB 3.27Å; H586-S590 WeakPolarHBondContact O-CB 3.39Å; H586-S590 PolarHBondContact O-N 3.01Å; E587-S590 WeakPolarHBondContact O-CB 3.34Å; E587-S590 PolarHBondContact O-N 2.91Å; S590-N593 PolarHBondContact O-N 2.87Å; S590-R594 PolarHBondContact O-N 2.86Å; S590-R594 PolarHBondContact O-NE 2.89Å; S590-R594 PolarHBondContact OG-NE 3.29Å; S590-R594 PolarHBondContact OG-NH2 2.98Å
591	I	58.5	Low	60	Low	95 Å²	95	109 Å²	109	49%	0.487	50%	0.499	S	S	.	.	H	α-helix	trans	-66.8	-48.8	176.3	-69.2	163.2	0	0	0	110.4	E587 I588 N593 R594 C595	E587-I591 VanDerWaalsContact O-CG1 3.29Å; E587-I591 WeakPolarHBondContact O-CG1 3.44Å; E587-I591 PolarHBondContact O-N 2.88Å; I588-I591 PolarHBondContact O-N 3.39Å; I591-N593 VanDerWaalsContact C-N 3.27Å; I591-N593 PolarHBondContact O-N 3.37Å; I591-R594 PolarHBondContact O-N 3.42Å; I591-C595 WeakPolarHBondContact O-CB 3.45Å; I591-C595 PolarHBondContact O-N 3.01Å; I591-C595 PolarHBondContact O-SG 3.5Å; I591-C595 VanDerWaalsContact O-SG 3.34Å
592	K	60.5	Low	60.3	Low	101 Å²	101	108.4 Å²	108.4	44%	0.439	50%	0.496	S	S	.	.	H	α-helix	trans	-55.9	-41.5	175.8	-73.1	169.3	-167.3	155.4	0	112	I588 D589 C595 R596	I588-K592 HydrophobicContact CG2-CD 4.21Å; I588-K592 WeakPolarHBondContact O-CG 3.35Å; I588-K592 PolarHBondContact O-N 3.08Å; D589-K592 VanDerWaalsContact OD1-CD 3.3Å; D589-K592 WeakPolarHBondContact OD1-CD 3.04Å; D589-K592 WeakPolarHBondContact OD1-CE 3.37Å; D589-K592 IonicContact OD1-NZ 2.69Å; D589-K592 PolarHBondContact OD1-NZ 3.28Å; K592-C595 PolarHBondContact O-N 2.88Å; K592-R596 WeakPolarHBondContact O-CB 3.48Å; K592-R596 VanDerWaalsContact O-CG 3.23Å; K592-R596 WeakPolarHBondContact O-CG 3.37Å; K592-R596 PolarHBondContact O-N 3.29Å
593	N	67	Low	60.7	Low	85 Å²	85	106.6 Å²	106.6	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-70.6	-42.5	179.7	-73	-24.8	0	0	0	111.9	D589 S590 I591 C595 R596 E597	D589-N593 VanDerWaalsContact O-CB 3.31Å; D589-N593 WeakPolarHBondContact O-CB 3.25Å; D589-N593 VanDerWaalsContact O-CG 3.25Å; D589-N593 PolarHBondContact O-N 2.9Å; D589-N593 PolarHBondContact O-ND2 3.21Å; S590-N593 PolarHBondContact O-N 2.87Å; I591-N593 VanDerWaalsContact C-N 3.27Å; I591-N593 PolarHBondContact O-N 3.37Å; N593-C595 VanDerWaalsContact C-N 3.33Å; N593-C595 PolarHBondContact O-N 3.48Å; N593-R596 WeakPolarHBondContact O-CB 3.49Å; N593-R596 PolarHBondContact O-N 2.93Å; N593-R596 PolarHBondContact OD1-NH1 2.85Å; N593-R596 VanDerWaalsContact OD1-NH1 3.08Å; N593-E597 WeakPolarHBondContact O-CB 3.34Å; N593-E597 PolarHBondContact O-N 3.49Å
594	R	61.3	Low	61.1	Low	125 Å²	125	107.6 Å²	107.6	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-38.2	170.9	-78.3	-177.4	-83.9	177.4	-6.8	112.7	S590 I591 E597 K598	S590-R594 PolarHBondContact O-N 2.86Å; S590-R594 PolarHBondContact O-NE 2.89Å; S590-R594 PolarHBondContact OG-NE 3.29Å; S590-R594 PolarHBondContact OG-NH2 2.98Å; I591-R594 PolarHBondContact O-N 3.42Å; R594-E597 PolarHBondContact O-N 3.32Å; R594-K598 PolarHBondContact O-N 3.26Å
595	C	55.4	Low	61.5	Low	75 Å²	75	109.5 Å²	109.5	51%	0.507	51%	0.505	S	S	.	.	H	α-helix	trans	-66.8	-40.8	173.3	-71.9	0	0	0	0	112.7	I591 K592 N593 E597 R599	I591-C595 WeakPolarHBondContact O-CB 3.45Å; I591-C595 PolarHBondContact O-N 3.01Å; I591-C595 PolarHBondContact O-SG 3.5Å; I591-C595 VanDerWaalsContact O-SG 3.34Å; K592-C595 PolarHBondContact O-N 2.88Å; N593-C595 VanDerWaalsContact C-N 3.33Å; N593-C595 PolarHBondContact O-N 3.48Å; C595-E597 VanDerWaalsContact C-N 3.32Å; C595-R599 VanDerWaalsContact O-CB 3.29Å; C595-R599 WeakPolarHBondContact O-CB 3.32Å; C595-R599 PolarHBondContact O-N 3.25Å
596	R	61.7	Low	61.9	Low	158 Å²	158	108.7 Å²	108.7	60%	0.596	50%	0.501	S	S	*	.	H	α-helix	trans	-62.3	-39.4	172.8	-76.8	164	168.2	176.4	-6	111.5	K592 N593 R599 R600	K592-R596 WeakPolarHBondContact O-CB 3.48Å; K592-R596 VanDerWaalsContact O-CG 3.23Å; K592-R596 WeakPolarHBondContact O-CG 3.37Å; K592-R596 PolarHBondContact O-N 3.29Å; N593-R596 WeakPolarHBondContact O-CB 3.49Å; N593-R596 PolarHBondContact O-N 2.93Å; N593-R596 PolarHBondContact OD1-NH1 2.85Å; N593-R596 VanDerWaalsContact OD1-NH1 3.08Å; R596-R599 PolarHBondContact O-N 3.45Å; R596-R600 WeakPolarHBondContact O-CB 3.01Å; R596-R600 WeakPolarHBondContact O-CG 3.45Å; R596-R600 PolarHBondContact O-N 3Å
597	E	64.8	Low	61.7	Low	113 Å²	113	104.4 Å²	104.4	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-69.1	-49.9	178.3	-177.3	161.4	-136.8	0	0	112.3	N593 R594 C595 R599 R600 N601	N593-E597 WeakPolarHBondContact O-CB 3.34Å; N593-E597 PolarHBondContact O-N 3.49Å; R594-E597 PolarHBondContact O-N 3.32Å; C595-E597 VanDerWaalsContact C-N 3.32Å; E597-R599 VanDerWaalsContact C-N 3.25Å; E597-R599 PolarHBondContact O-N 2.86Å; E597-R600 WeakPolarHBondContact O-CB 3.2Å; E597-R600 PolarHBondContact O-N 3.47Å; E597-R600 VanDerWaalsContact O-N 3.08Å; E597-N601 PolarHBondContact O-N 2.93Å
598	K	61.6	Low	61.7	Low	139 Å²	139	104.2 Å²	104.2	60%	0.604	50%	0.496	S	S	*	.	H	α-helix	trans	-56.9	-38.8	172.1	-72.2	-165.6	177.1	-170.5	0	111.7	R594 N601 L602	R594-K598 PolarHBondContact O-N 3.26Å; K598-N601 PolarHBondContact O-N 3.45Å; K598-L602 WeakPolarHBondContact O-CB 3.12Å; K598-L602 PolarHBondContact O-N 2.84Å
599	R	61.2	Low	61.6	Low	169 Å²	169	104 Å²	104	64%	0.638	50%	0.498	S	S	*	.	H	α-helix	trans	-68.9	-35.6	174.8	-167.4	175.5	-68.3	179.8	-2	113.4	C595 R596 E597 H603	C595-R599 VanDerWaalsContact O-CB 3.29Å; C595-R599 WeakPolarHBondContact O-CB 3.32Å; C595-R599 PolarHBondContact O-N 3.25Å; R596-R599 PolarHBondContact O-N 3.45Å; E597-R599 VanDerWaalsContact C-N 3.25Å; E597-R599 PolarHBondContact O-N 2.86Å; R599-H603 PolarHBondContact O-CD2 2.95Å; R599-H603 VanDerWaalsContact O-CD2 3.3Å; R599-H603 PolarHBondContact O-N 2.85Å
600	R	62.1	Low	61.4	Low	187 Å²	187	103.3 Å²	103.3	71%	0.706	50%	0.499	S	S	*	.	H	α-helix	trans	-64.6	-43.2	171.3	-79.2	171.3	172.9	-179.2	-2.7	111.5	R596 E597 H603 K604	R596-R600 WeakPolarHBondContact O-CB 3.01Å; R596-R600 WeakPolarHBondContact O-CG 3.45Å; R596-R600 PolarHBondContact O-N 3Å; E597-R600 WeakPolarHBondContact O-CB 3.2Å; E597-R600 PolarHBondContact O-N 3.47Å; E597-R600 VanDerWaalsContact O-N 3.08Å; R600-H603 PolarHBondContact O-N 3.45Å; R600-K604 PolarHBondContact O-N 2.85Å
601	N	65.9	Low	61	Low	70 Å²	70	109.7 Å²	109.7	37%	0.374	52%	0.517	S	S	.	.	H	α-helix	trans	-69.7	-34.9	178.2	-69.2	-14.7	0	0	0	111.6	E597 K598 K604 M605	E597-N601 PolarHBondContact O-N 2.93Å; K598-N601 PolarHBondContact O-N 3.45Å; N601-K604 PolarHBondContact O-N 3.31Å; N601-K604 PolarHBondContact OD1-NZ 2.93Å; N601-M605 WeakPolarHBondContact O-CB 3.45Å; N601-M605 WeakPolarHBondContact O-CG 3.47Å; N601-M605 PolarHBondContact O-N 3.36Å
602	L	55.1	Low	60.8	Low	69 Å²	69	109 Å²	109	36%	0.361	51%	0.511	S	S	.	.	H	α-helix	trans	-59.2	-44.7	168.2	-178	65.8	0	0	0	112.1	K598 M605 Q606	K598-L602 WeakPolarHBondContact O-CB 3.12Å; K598-L602 PolarHBondContact O-N 2.84Å; L602-M605 WeakPolarHBondContact O-CB 3.4Å; L602-M605 PolarHBondContact O-N 3.42Å; L602-Q606 WeakPolarHBondContact O-CB 3.19Å; L602-Q606 WeakPolarHBondContact O-CG 3.31Å; L602-Q606 PolarHBondContact O-N 3.05Å
603	H	62.8	Low	60.6	Low	114 Å²	114	110.8 Å²	110.8	53%	0.528	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-36.3	175.9	-78.8	-54.7	0	0	0	113.1	R599 R600 Q606 A607	R599-H603 PolarHBondContact O-CD2 2.95Å; R599-H603 VanDerWaalsContact O-CD2 3.3Å; R599-H603 PolarHBondContact O-N 2.85Å; R600-H603 PolarHBondContact O-N 3.45Å; H603-Q606 PolarHBondContact ND1-OE1 3.47Å; H603-Q606 PolarHBondContact O-N 3.25Å; H603-A607 WeakPolarHBondContact O-CB 3.5Å; H603-A607 PolarHBondContact O-N 3.01Å
604	K	67	Low	60.1	Low	137 Å²	137	112.8 Å²	112.8	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-60.3	-48.6	170.2	-69.8	174.4	-176.4	167.4	0	111	R600 N601 Q606 A607 T608	R600-K604 PolarHBondContact O-N 2.85Å; N601-K604 PolarHBondContact O-N 3.31Å; N601-K604 PolarHBondContact OD1-NZ 2.93Å; K604-Q606 VanDerWaalsContact C-N 3.33Å; K604-Q606 PolarHBondContact O-N 3.48Å; K604-A607 PolarHBondContact O-N 3.3Å; K604-T608 PolarHBondContact O-N 2.9Å; K604-T608 PolarHBondContact O-OG1 2.95Å
605	M	61	Low	59.7	Low	122 Å²	122	112.6 Å²	112.6	60%	0.601	53%	0.532	S	S	*	.	H	α-helix	trans	-60.3	-39.5	176.9	-76.4	-74.8	-79.5	0	0	112.4	N601 L602 T608 T609	N601-M605 WeakPolarHBondContact O-CB 3.45Å; N601-M605 WeakPolarHBondContact O-CG 3.47Å; N601-M605 PolarHBondContact O-N 3.36Å; L602-M605 WeakPolarHBondContact O-CB 3.4Å; L602-M605 PolarHBondContact O-N 3.42Å; M605-T608 WeakPolarHBondContact CA-OG1 3.24Å; M605-T608 PolarHBondContact O-OG1 3.22Å; M605-T609 VanDerWaalsContact O-CB 3.23Å; M605-T609 WeakPolarHBondContact O-CB 3.38Å; M605-T609 PolarHBondContact O-N 3.46Å; M605-T609 PolarHBondContact O-OG1 2.97Å
606	Q	60.7	Low	59.5	Low	96 Å²	96	116.1 Å²	116.1	45%	0.449	53%	0.534	S	S	.	.	H	α-helix	trans	-67.1	-40.9	174.6	-74.7	174.6	-14.8	0	0	111.6	L602 H603 K604 T609 S610	L602-Q606 WeakPolarHBondContact O-CB 3.19Å; L602-Q606 WeakPolarHBondContact O-CG 3.31Å; L602-Q606 PolarHBondContact O-N 3.05Å; H603-Q606 PolarHBondContact ND1-OE1 3.47Å; H603-Q606 PolarHBondContact O-N 3.25Å; K604-Q606 VanDerWaalsContact C-N 3.33Å; K604-Q606 PolarHBondContact O-N 3.48Å; Q606-T609 PolarHBondContact O-N 3.36Å; Q606-S610 WeakPolarHBondContact O-CB 3.42Å; Q606-S610 PolarHBondContact O-N 2.91Å; Q606-S610 PolarHBondContact O-OG 3.34Å; Q606-S610 VanDerWaalsContact O-OG 3.1Å
607	A	60.7	Low	59	Low	58 Å²	58	115.7 Å²	115.7	48%	0.479	54%	0.539	S	S	.	.	H	α-helix	trans	-65.8	-40.9	176.6	0	0	0	0	0	112.6	H603 K604 R611	H603-A607 WeakPolarHBondContact O-CB 3.5Å; H603-A607 PolarHBondContact O-N 3.01Å; K604-A607 PolarHBondContact O-N 3.3Å; A607-R611 PolarHBondContact O-N 3.47Å
608	T	62.6	Low	58.3	Low	80 Å²	80	113.5 Å²	113.5	49%	0.491	55%	0.546	S	S	.	.	H	α-helix	trans	-68.4	-40.8	173.1	53.9	0	0	0	0	111.8	K604 M605 S610 R611 E612	K604-T608 PolarHBondContact O-N 2.9Å; K604-T608 PolarHBondContact O-OG1 2.95Å; M605-T608 WeakPolarHBondContact CA-OG1 3.24Å; M605-T608 PolarHBondContact O-OG1 3.22Å; T608-S610 VanDerWaalsContact C-N 3.32Å; T608-S610 PolarHBondContact O-N 3.45Å; T608-R611 PolarHBondContact O-N 2.92Å; T608-E612 WeakPolarHBondContact O-CG 3.27Å; T608-E612 PolarHBondContact O-N 3.3Å
609	T	56.9	Low	57.5	Low	66 Å²	66	113.2 Å²	113.2	41%	0.405	55%	0.551	S	S	.	*	H	α-helix	trans	-64.6	-34.7	175.6	-55	0	0	0	0	112.2	M605 Q606 E612 K613	M605-T609 VanDerWaalsContact O-CB 3.23Å; M605-T609 WeakPolarHBondContact O-CB 3.38Å; M605-T609 PolarHBondContact O-N 3.46Å; M605-T609 PolarHBondContact O-OG1 2.97Å; Q606-T609 PolarHBondContact O-N 3.36Å; T609-E612 PolarHBondContact O-N 3.48Å; T609-K613 PolarHBondContact O-N 3.46Å
610	S	57.7	Low	56.3	Low	65 Å²	65	108.7 Å²	108.7	46%	0.455	55%	0.55	S	S	.	.	H	α-helix	trans	-68.6	-44.5	173.5	-69	0	0	0	0	111.6	Q606 T608 E612 K613 E614	Q606-S610 WeakPolarHBondContact O-CB 3.42Å; Q606-S610 PolarHBondContact O-N 2.91Å; Q606-S610 PolarHBondContact O-OG 3.34Å; Q606-S610 VanDerWaalsContact O-OG 3.1Å; T608-S610 VanDerWaalsContact C-N 3.32Å; T608-S610 PolarHBondContact O-N 3.45Å; S610-E612 VanDerWaalsContact C-N 3.32Å; S610-E612 PolarHBondContact O-N 2.86Å; S610-K613 CarbonylContact O-C 3.58Å; S610-K613 WeakPolarHBondContact O-CA 3.48Å; S610-K613 WeakPolarHBondContact O-CB 3.45Å; S610-K613 PolarHBondContact O-N 3.29Å; S610-E614 WeakPolarHBondContact O-CG 3.47Å; S610-E614 PolarHBondContact O-N 2.89Å
611	R	56.3	Low	55.3	Low	180 Å²	180	111 Å²	111	68%	0.679	56%	0.56	S	S	*	*	H	α-helix	trans	-61	-38.3	171	-86	-177	166.1	179.1	-4.1	112.7	A607 T608 K613 E614 M615	A607-R611 PolarHBondContact O-N 3.47Å; T608-R611 PolarHBondContact O-N 2.92Å; R611-K613 VanDerWaalsContact C-N 3.32Å; R611-E614 PolarHBondContact O-N 2.91Å; R611-M615 WeakPolarHBondContact O-CB 3.36Å; R611-M615 WeakPolarHBondContact O-CG 3.36Å; R611-M615 PolarHBondContact O-N 3.15Å
612	E	54.9	Low	54	Low	80 Å²	80	113.2 Å²	113.2	37%	0.374	58%	0.581	S	S	.	*	H	α-helix	trans	-63.1	-38.1	171.2	-78.6	-139.1	113.9	0	0	111.8	T608 T609 S610 M615 R616	T608-E612 WeakPolarHBondContact O-CG 3.27Å; T608-E612 PolarHBondContact O-N 3.3Å; T609-E612 PolarHBondContact O-N 3.48Å; S610-E612 VanDerWaalsContact C-N 3.32Å; S610-E612 PolarHBondContact O-N 2.86Å; E612-M615 HydrophobicContact CG-CE 4.46Å; E612-R616 WeakPolarHBondContact O-CB 3.46Å; E612-R616 WeakPolarHBondContact O-CG 3.21Å; E612-R616 PolarHBondContact O-N 2.7Å; E612-R616 IonicContact OE1-CZ 2.59Å; E612-R616 IonicContact OE1-NE 2.74Å; E612-R616 IonicContact OE1-NH2 3.69Å; E612-R616 PolarHBondContact OE1-NH2 2.79Å; E612-R616 IonicContact OE2-CZ 3.88Å; E612-R616 VanDerWaalsContact OE2-CZ 3.32Å; E612-R616 IonicContact OE2-NH1 2.61Å; E612-R616 IonicContact OE2-NH2 2.63Å; E612-R616 PolarHBondContact OE2-NH2 3.2Å
613	K	56.2	Low	52.9	Low	139 Å²	139	120.4 Å²	120.4	60%	0.604	60%	0.604	S	S	*	*	H	α-helix	trans	-66.5	-41.2	174.3	-82.9	-176.7	174.8	-178.6	0	112.3	T609 S610 R611 R616 Q617	T609-K613 PolarHBondContact O-N 3.46Å; S610-K613 CarbonylContact O-C 3.58Å; S610-K613 WeakPolarHBondContact O-CA 3.48Å; S610-K613 WeakPolarHBondContact O-CB 3.45Å; S610-K613 PolarHBondContact O-N 3.29Å; R611-K613 VanDerWaalsContact C-N 3.32Å; K613-R616 PolarHBondContact O-N 3.47Å; K613-Q617 WeakPolarHBondContact O-CB 3.43Å; K613-Q617 VanDerWaalsContact O-CG 3.28Å; K613-Q617 WeakPolarHBondContact O-CG 3.37Å; K613-Q617 PolarHBondContact O-N 2.93Å
614	E	56.8	Low	51.8	Low	127 Å²	127	123 Å²	123	59%	0.593	62%	0.616	S	S	*	*	H	α-helix	trans	-61.7	-49.3	174.3	-69.3	168.1	159.3	0	0	110.6	S610 R611 R616 Q617 G618	S610-E614 WeakPolarHBondContact O-CG 3.47Å; S610-E614 PolarHBondContact O-N 2.89Å; R611-E614 PolarHBondContact O-N 2.91Å; E614-R616 PolarHBondContact O-N 3.2Å; E614-Q617 PolarHBondContact O-N 3.47Å; E614-G618 PolarHBondContact O-N 3.35Å; E614-G618 VanDerWaalsContact O-N 3.12Å
615	M	52.7	Low	50.6	Low	121 Å²	121	121.8 Å²	121.8	60%	0.596	63%	0.625	S	S	*	*	H	α-helix	trans	-63.3	-37.5	176	-69.3	-173	-62.2	0	0	112.9	R611 E612 G618 L619	R611-M615 WeakPolarHBondContact O-CB 3.36Å; R611-M615 WeakPolarHBondContact O-CG 3.36Å; R611-M615 PolarHBondContact O-N 3.15Å; E612-M615 HydrophobicContact CG-CE 4.46Å; M615-G618 WeakPolarHBondContact O-CA 3.28Å; M615-G618 PolarHBondContact O-N 2.92Å; M615-L619 PolarHBondContact O-N 3.16Å
616	R	50.2	Low	49.7	Very low	149 Å²	149	127.6 Å²	127.6	56%	0.562	64%	0.64	S	S	*	*	H	α-helix	trans	-78.6	-21.9	177.3	-70	177.2	-169.8	167.8	10.2	113.5	E612 K613 E614 G618 L619 A620	E612-R616 WeakPolarHBondContact O-CB 3.46Å; E612-R616 WeakPolarHBondContact O-CG 3.21Å; E612-R616 PolarHBondContact O-N 2.7Å; E612-R616 IonicContact OE1-CZ 2.59Å; E612-R616 IonicContact OE1-NE 2.74Å; E612-R616 IonicContact OE1-NH2 3.69Å; E612-R616 PolarHBondContact OE1-NH2 2.79Å; E612-R616 IonicContact OE2-CZ 3.88Å; E612-R616 VanDerWaalsContact OE2-CZ 3.32Å; E612-R616 IonicContact OE2-NH1 2.61Å; E612-R616 IonicContact OE2-NH2 2.63Å; E612-R616 PolarHBondContact OE2-NH2 3.2Å; K613-R616 PolarHBondContact O-N 3.47Å; E614-R616 PolarHBondContact O-N 3.2Å; R616-G618 VanDerWaalsContact C-N 3.31Å; R616-L619 CarbonylContact O-C 3.5Å; R616-L619 VanDerWaalsContact O-C 3.25Å; R616-L619 PolarHBondContact O-N 2.84Å; R616-L619 VanDerWaalsContact O-N 3.11Å; R616-A620 PolarHBondContact O-N 3.08Å
617	Q	51.7	Low	48.6	Very low	149 Å²	149	126.6 Å²	126.6	70%	0.696	66%	0.655	S	S	*	*	H	α-helix	trans	-69.5	-31.7	165.1	-79.3	174.6	-23.2	0	0	111.1	K613 E614 L619 A620	K613-Q617 WeakPolarHBondContact O-CB 3.43Å; K613-Q617 VanDerWaalsContact O-CG 3.28Å; K613-Q617 WeakPolarHBondContact O-CG 3.37Å; K613-Q617 PolarHBondContact O-N 2.93Å; E614-Q617 PolarHBondContact O-N 3.47Å; Q617-L619 PolarHBondContact O-N 3.39Å; Q617-A620 WeakPolarHBondContact O-CB 3.37Å
618	G	50.1	Low	48.1	Very low	66 Å²	66	131.2 Å²	131.2	68%	0.68	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-15.1	165	0	0	0	0	0	115	E614 M615 R616	E614-G618 PolarHBondContact O-N 3.35Å; E614-G618 VanDerWaalsContact O-N 3.12Å; M615-G618 WeakPolarHBondContact O-CA 3.28Å; M615-G618 PolarHBondContact O-N 2.92Å; R616-G618 VanDerWaalsContact C-N 3.31Å
619	L	45.3	Very low	47.2	Very low	133 Å²	133	134.8 Å²	134.8	70%	0.696	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	33.5	-179.9	-70.4	165.6	0	0	0	112.3	M615 R616 Q617 Y621	M615-L619 PolarHBondContact O-N 3.16Å; R616-L619 CarbonylContact O-C 3.5Å; R616-L619 VanDerWaalsContact O-C 3.25Å; R616-L619 PolarHBondContact O-N 2.84Å; R616-L619 VanDerWaalsContact O-N 3.11Å; Q617-L619 PolarHBondContact O-N 3.39Å; L619-Y621 PolarHBondContact O-N 3.49Å
620	A	36.6	Very low	46.9	Very low	75 Å²	75	136.5 Å²	136.5	62%	0.62	69%	0.688	S	S	*	*			trans	-73.8	43.6	-173.2	0	0	0	0	0	115.4	R616 Q617	R616-A620 PolarHBondContact O-N 3.08Å; Q617-A620 WeakPolarHBondContact O-CB 3.37Å
621	Y	40	Very low	46.4	Very low	235 Å²	235	135.4 Å²	135.4	92%	0.922	69%	0.688	S	S	*	*			trans	-136.3	40.9	179.9	-100.7	-76.3	0	0	0	115	L619	L619-Y621 PolarHBondContact O-N 3.49Å
622	S	38.9	Very low	46.2	Very low	117 Å²	117	131 Å²	131	82%	0.818	68%	0.677	S	S	*	*			trans	-149.8	139.8	152.6	52.5	0	0	0	0	111.1
623	R	33	Very low	46.1	Very low	220 Å²	220	131.4 Å²	131.4	83%	0.83	68%	0.681	S	S	*	*			trans	-106.8	164.8	-170.4	-80	-177.3	167.5	-179.8	-2.8	112.4
624	Q	38.7	Very low	46	Very low	167 Å²	167	130 Å²	130	78%	0.78	68%	0.676	S	S	*	*			trans	64.3	87.7	152.6	-70.6	149.4	-58.8	0	0	117.7
625	S	41.1	Very low	46.3	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	68%	0.678	S	S	*	*				-176.9	167	110	52.9	0	0	0	0	112.9
626	R	42.1	Very low	46.7	Very low	243 Å²	243	129.3 Å²	129.3	92%	0.917	67%	0.672	S	S	*	*			trans	58.8	60.4	166.7	-61.7	-172.6	175.3	-162.8	-2.9	117.9
627	G	37.4	Very low	46.9	Very low	75 Å²	75	126.4 Å²	126.4	77%	0.773	67%	0.668	S	S	*	*			trans	-81.2	115.5	149.9	0	0	0	0	0	110.6
628	Q	50.6	Low	47.6	Very low	155 Å²	155	124.7 Å²	124.7	72%	0.724	66%	0.658	S	S	*	*			trans	-165.9	-36.9	167	-115.7	169.6	9.8	0	0	113	G631 L632	Q628-G631 PolarHBondContact O-N 3.15Å; Q628-G631 VanDerWaalsContact O-N 3.09Å; Q628-L632 PolarHBondContact O-N 3.38Å
629	F	44.5	Very low	48.4	Very low	156 Å²	156	124.7 Å²	124.7	68%	0.684	65%	0.645	S	S	*	*	H	α-helix	trans	-52	-45.7	-173.1	-109.4	-96.1	0	0	0	116.3	G631 L632 I633	F629-G631 VanDerWaalsContact C-N 3.28Å; F629-G631 PolarHBondContact O-N 3.42Å; F629-L632 PolarHBondContact O-N 3.06Å; F629-I633 HydrophobicContact CD1-CD1 4.27Å; F629-I633 PolarHBondContact O-N 3.34Å; F629-I633 VanDerWaalsContact O-N 3.13Å
630	P	49.6	Very low	49.1	Very low	101 Å²	101	122.1 Å²	122.1	66%	0.656	63%	0.634	S	S	*	*	H	α-helix	trans	-61.8	-34.9	179.3	-24.8	35.2	0	0	0	113.3	E634	P630-E634 WeakPolarHBondContact O-CB 3.49Å; P630-E634 PolarHBondContact O-N 3.03Å
631	G	47.1	Very low	50.4	Low	43 Å²	43	122.3 Å²	122.3	44%	0.443	63%	0.625	S	S	.	*	H	α-helix	trans	-77.8	-22.7	-179.8	0	0	0	0	0	114	Q628 F629 K635	Q628-G631 PolarHBondContact O-N 3.15Å; Q628-G631 VanDerWaalsContact O-N 3.09Å; F629-G631 VanDerWaalsContact C-N 3.28Å; F629-G631 PolarHBondContact O-N 3.42Å; G631-K635 WeakPolarHBondContact O-CB 3.33Å; G631-K635 PolarHBondContact O-N 2.8Å; G631-K635 VanDerWaalsContact O-N 3.14Å
632	L	53.4	Low	51.8	Low	86 Å²	86	117.4 Å²	117.4	45%	0.45	61%	0.61	S	S	.	*	H	α-helix	trans	-69.7	-54.6	167	-83.4	158.4	0	0	0	109.8	Q628 F629 E634 K635 D636	Q628-L632 PolarHBondContact O-N 3.38Å; F629-L632 PolarHBondContact O-N 3.06Å; L632-E634 VanDerWaalsContact C-N 3.28Å; L632-E634 PolarHBondContact O-N 2.92Å; L632-K635 CarbonylContact O-C 3.56Å; L632-K635 WeakPolarHBondContact O-CA 3.49Å; L632-K635 VanDerWaalsContact O-CB 3.29Å; L632-K635 WeakPolarHBondContact O-CB 3.46Å; L632-K635 PolarHBondContact O-N 3.13Å; L632-D636 VanDerWaalsContact O-CG 3.25Å; L632-D636 PolarHBondContact O-N 3.01Å
633	I	51.8	Low	52.9	Low	90 Å²	90	117.1 Å²	117.1	46%	0.462	60%	0.596	S	S	.	*	H	α-helix	trans	-60.8	-35.8	179.7	-61.6	168.9	0	0	0	111.8	F629 D636 L637	F629-I633 HydrophobicContact CD1-CD1 4.27Å; F629-I633 PolarHBondContact O-N 3.34Å; F629-I633 VanDerWaalsContact O-N 3.13Å; I633-D636 PolarHBondContact O-N 3.44Å; I633-L637 HydrophobicContact CG2-CD1 4.07Å; I633-L637 VanDerWaalsContact O-CB 3.29Å; I633-L637 WeakPolarHBondContact O-CB 3.46Å; I633-L637 VanDerWaalsContact O-CG 3.32Å; I633-L637 WeakPolarHBondContact O-CG 3.18Å; I633-L637 PolarHBondContact O-N 2.71Å
634	E	53.6	Low	54.2	Low	108 Å²	108	110.4 Å²	110.4	51%	0.505	58%	0.579	S	S	.	*	H	α-helix	trans	-72.2	-30.2	174.2	-160.3	-166.6	148.9	0	0	112.9	P630 L632 K638	P630-E634 WeakPolarHBondContact O-CB 3.49Å; P630-E634 PolarHBondContact O-N 3.03Å; L632-E634 VanDerWaalsContact C-N 3.28Å; L632-E634 PolarHBondContact O-N 2.92Å; E634-K638 WeakPolarHBondContact O-CG 3.34Å; E634-K638 PolarHBondContact O-N 2.91Å; E634-K638 WeakPolarHBondContact OE1-CE 3.45Å; E634-K638 IonicContact OE1-NZ 3.2Å; E634-K638 PolarHBondContact OE1-NZ 2.9Å
635	K	64.4	Low	55.6	Low	146 Å²	146	107.7 Å²	107.7	64%	0.635	57%	0.565	S	S	*	*	H	α-helix	trans	-65.9	-52.1	168	-103	-171.3	170.2	-169.8	0	110.4	G631 L632 L637 K638 T639	G631-K635 WeakPolarHBondContact O-CB 3.33Å; G631-K635 PolarHBondContact O-N 2.8Å; G631-K635 VanDerWaalsContact O-N 3.14Å; L632-K635 CarbonylContact O-C 3.56Å; L632-K635 WeakPolarHBondContact O-CA 3.49Å; L632-K635 VanDerWaalsContact O-CB 3.29Å; L632-K635 WeakPolarHBondContact O-CB 3.46Å; L632-K635 PolarHBondContact O-N 3.13Å; K635-L637 VanDerWaalsContact C-N 3.29Å; K635-L637 PolarHBondContact O-N 3.38Å; K635-K638 CarbonylContact O-C 3.49Å; K635-K638 WeakPolarHBondContact O-CA 3.23Å; K635-K638 WeakPolarHBondContact O-CB 3.48Å; K635-K638 PolarHBondContact O-N 3.17Å; K635-T639 PolarHBondContact O-N 3.19Å; K635-T639 PolarHBondContact O-OG1 3.04Å; K635-T639 VanDerWaalsContact O-OG1 3.05Å
636	D	61.1	Low	56.8	Low	88 Å²	88	104.6 Å²	104.6	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-64.5	-35.2	-175.8	-58.2	-29.6	0	0	0	111.4	L632 I633 T639 V640	L632-D636 VanDerWaalsContact O-CG 3.25Å; L632-D636 PolarHBondContact O-N 3.01Å; I633-D636 PolarHBondContact O-N 3.44Å; D636-T639 PolarHBondContact O-N 3.36Å; D636-V640 WeakPolarHBondContact O-CB 3.17Å; D636-V640 VanDerWaalsContact O-CG2 3.29Å; D636-V640 WeakPolarHBondContact O-CG2 3.41Å; D636-V640 PolarHBondContact O-N 3Å
637	L	54.5	Low	57.3	Low	89 Å²	89	97.4 Å²	97.4	47%	0.466	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-34.6	169.5	-80.6	168.5	0	0	0	113.2	I633 K635 D641	I633-L637 HydrophobicContact CG2-CD1 4.07Å; I633-L637 VanDerWaalsContact O-CB 3.29Å; I633-L637 WeakPolarHBondContact O-CB 3.46Å; I633-L637 VanDerWaalsContact O-CG 3.32Å; I633-L637 WeakPolarHBondContact O-CG 3.18Å; I633-L637 PolarHBondContact O-N 2.71Å; K635-L637 VanDerWaalsContact C-N 3.29Å; K635-L637 PolarHBondContact O-N 3.38Å; L637-D641 VanDerWaalsContact O-CB 3.23Å; L637-D641 WeakPolarHBondContact O-CB 3.41Å; L637-D641 PolarHBondContact O-N 2.63Å
638	K	66.7	Low	58.4	Low	113 Å²	113	98.7 Å²	98.7	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-71.8	-42.6	172.7	-74.6	168.6	-170.9	163.8	0	111.2	E634 K635 V640 D641 E642	E634-K638 WeakPolarHBondContact O-CG 3.34Å; E634-K638 PolarHBondContact O-N 2.91Å; E634-K638 WeakPolarHBondContact OE1-CE 3.45Å; E634-K638 IonicContact OE1-NZ 3.2Å; E634-K638 PolarHBondContact OE1-NZ 2.9Å; K635-K638 CarbonylContact O-C 3.49Å; K635-K638 WeakPolarHBondContact O-CA 3.23Å; K635-K638 WeakPolarHBondContact O-CB 3.48Å; K635-K638 PolarHBondContact O-N 3.17Å; K638-V640 VanDerWaalsContact C-N 3.33Å; K638-V640 PolarHBondContact O-N 2.65Å; K638-D641 PolarHBondContact O-N 3.03Å; K638-E642 VanDerWaalsContact O-CB 3.28Å; K638-E642 WeakPolarHBondContact O-CB 3.44Å; K638-E642 WeakPolarHBondContact O-CG 3.5Å; K638-E642 PolarHBondContact O-N 2.95Å
639	T	66.6	Low	59	Low	66 Å²	66	95.9 Å²	95.9	41%	0.405	50%	0.5	S	S	.	.	H	α-helix	trans	-56.4	-47.3	172.4	-46.8	0	0	0	0	110.6	K635 D636 E642 E643	K635-T639 PolarHBondContact O-N 3.19Å; K635-T639 PolarHBondContact O-OG1 3.04Å; K635-T639 VanDerWaalsContact O-OG1 3.05Å; D636-T639 PolarHBondContact O-N 3.36Å; T639-E642 PolarHBondContact O-N 3.04Å; T639-E643 VanDerWaalsContact O-CB 3.29Å; T639-E643 WeakPolarHBondContact O-CB 3.5Å; T639-E643 VanDerWaalsContact O-CG 3.3Å; T639-E643 WeakPolarHBondContact O-CG 3.44Å; T639-E643 PolarHBondContact O-N 3.19Å
640	V	60	Low	59.5	Low	78 Å²	78	96.4 Å²	96.4	47%	0.473	50%	0.498	S	S	.	.	H	α-helix	trans	-67.9	-38	177.9	169.5	0	0	0	0	112.4	D636 K638 E643 V644	D636-V640 WeakPolarHBondContact O-CB 3.17Å; D636-V640 VanDerWaalsContact O-CG2 3.29Å; D636-V640 WeakPolarHBondContact O-CG2 3.41Å; D636-V640 PolarHBondContact O-N 3Å; K638-V640 VanDerWaalsContact C-N 3.33Å; K638-V640 PolarHBondContact O-N 2.65Å; V640-E643 PolarHBondContact O-N 3.39Å; V640-V644 HydrophobicContact CG1-CG2 4.37Å; V640-V644 VanDerWaalsContact O-CB 3.27Å; V640-V644 WeakPolarHBondContact O-CB 3.3Å; V640-V644 WeakPolarHBondContact O-CG2 3.16Å; V640-V644 PolarHBondContact O-N 3.28Å
641	D	62.4	Low	59.5	Low	79 Å²	79	96.2 Å²	96.2	42%	0.422	49%	0.487	S	S	.	.	H	α-helix	trans	-74.5	-28.4	178.1	-163.5	69	0	0	0	112	L637 K638 K645	L637-D641 VanDerWaalsContact O-CB 3.23Å; L637-D641 WeakPolarHBondContact O-CB 3.41Å; L637-D641 PolarHBondContact O-N 2.63Å; K638-D641 PolarHBondContact O-N 3.03Å; D641-K645 WeakPolarHBondContact O-CB 3.39Å; D641-K645 VanDerWaalsContact O-CD 3.29Å; D641-K645 WeakPolarHBondContact O-CD 3.26Å; D641-K645 WeakPolarHBondContact O-CG 3.43Å; D641-K645 PolarHBondContact O-N 3.12Å; D641-K645 WeakPolarHBondContact OD2-CE 3.32Å; D641-K645 IonicContact OD2-NZ 2.76Å; D641-K645 PolarHBondContact OD2-NZ 2.79Å
642	E	70.1	Confident	59.9	Low	132 Å²	132	97.8 Å²	97.8	62%	0.617	49%	0.485	S	S	*	.	H	α-helix	trans	-74.5	-40.1	168.5	-74	176.5	-166.1	0	0	112.1	K638 T639 K645 A646	K638-E642 VanDerWaalsContact O-CB 3.28Å; K638-E642 WeakPolarHBondContact O-CB 3.44Å; K638-E642 WeakPolarHBondContact O-CG 3.5Å; K638-E642 PolarHBondContact O-N 2.95Å; T639-E642 PolarHBondContact O-N 3.04Å; E642-K645 PolarHBondContact O-N 3.28Å; E642-A646 VanDerWaalsContact O-CB 3.28Å; E642-A646 WeakPolarHBondContact O-CB 3.16Å; E642-A646 PolarHBondContact O-N 2.9Å
643	E	62.3	Low	59.9	Low	112 Å²	112	98.5 Å²	98.5	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-64.8	-39.7	171.8	-80.6	-178.7	178.7	0	0	111.6	T639 V640 A646 L647	T639-E643 VanDerWaalsContact O-CB 3.29Å; T639-E643 WeakPolarHBondContact O-CB 3.5Å; T639-E643 VanDerWaalsContact O-CG 3.3Å; T639-E643 WeakPolarHBondContact O-CG 3.44Å; T639-E643 PolarHBondContact O-N 3.19Å; V640-E643 PolarHBondContact O-N 3.39Å; E643-A646 CarbonylContact O-C 3.5Å; E643-A646 PolarHBondContact O-N 3.29Å; E643-L647 VanDerWaalsContact O-CB 3.22Å; E643-L647 WeakPolarHBondContact O-CB 3.29Å; E643-L647 WeakPolarHBondContact O-CG 3.38Å; E643-L647 PolarHBondContact O-N 3.11Å
644	V	60.1	Low	59.6	Low	78 Å²	78	97 Å²	97	47%	0.473	48%	0.481	S	S	.	.	H	α-helix	trans	-67.3	-37.4	173.8	165.9	0	0	0	0	111	V640 Q648	V640-V644 HydrophobicContact CG1-CG2 4.37Å; V640-V644 VanDerWaalsContact O-CB 3.27Å; V640-V644 WeakPolarHBondContact O-CB 3.3Å; V640-V644 WeakPolarHBondContact O-CG2 3.16Å; V640-V644 PolarHBondContact O-N 3.28Å; V644-Q648 VanDerWaalsContact O-CB 3.3Å; V644-Q648 WeakPolarHBondContact O-CB 3.26Å; V644-Q648 PolarHBondContact O-N 3.26Å
645	K	68.6	Low	59	Low	111 Å²	111	96 Å²	96	48%	0.483	48%	0.475	S	S	.	.	H	α-helix	trans	-68	-39.9	171.3	-76.1	161.8	-175.3	150.3	0	112.3	D641 E642 L647 Q648 I649	D641-K645 WeakPolarHBondContact O-CB 3.39Å; D641-K645 VanDerWaalsContact O-CD 3.29Å; D641-K645 WeakPolarHBondContact O-CD 3.26Å; D641-K645 WeakPolarHBondContact O-CG 3.43Å; D641-K645 PolarHBondContact O-N 3.12Å; D641-K645 WeakPolarHBondContact OD2-CE 3.32Å; D641-K645 IonicContact OD2-NZ 2.76Å; D641-K645 PolarHBondContact OD2-NZ 2.79Å; E642-K645 PolarHBondContact O-N 3.28Å; K645-L647 VanDerWaalsContact C-N 3.35Å; K645-Q648 PolarHBondContact O-N 3.39Å; K645-I649 WeakPolarHBondContact O-CB 3.05Å; K645-I649 VanDerWaalsContact O-CG1 3.25Å; K645-I649 WeakPolarHBondContact O-CG1 3.32Å; K645-I649 PolarHBondContact O-N 3.04Å
646	A	65	Low	58.3	Low	47 Å²	47	90.8 Å²	90.8	39%	0.388	45%	0.454	S	S	.	.	H	α-helix	trans	-68.1	-35.6	175.8	0	0	0	0	0	111.6	E642 E643 R650	E642-A646 VanDerWaalsContact O-CB 3.28Å; E642-A646 WeakPolarHBondContact O-CB 3.16Å; E642-A646 PolarHBondContact O-N 2.9Å; E643-A646 CarbonylContact O-C 3.5Å; E643-A646 PolarHBondContact O-N 3.29Å; A646-R650 WeakPolarHBondContact O-CB 3.15Å; A646-R650 WeakPolarHBondContact O-CG 3.11Å; A646-R650 PolarHBondContact O-N 3.43Å
647	L	52.6	Low	57.5	Low	93 Å²	93	90.9 Å²	90.9	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-71	-35.7	171	-84.6	164	0	0	0	111.9	E643 K645 F651	E643-L647 VanDerWaalsContact O-CB 3.22Å; E643-L647 WeakPolarHBondContact O-CB 3.29Å; E643-L647 WeakPolarHBondContact O-CG 3.38Å; E643-L647 PolarHBondContact O-N 3.11Å; K645-L647 VanDerWaalsContact C-N 3.35Å; L647-F651 WeakPolarHBondContact O-CA 3.28Å; L647-F651 WeakPolarHBondContact O-CB 3.16Å; L647-F651 PolarHBondContact O-N 3.1Å
648	Q	60.6	Low	56.8	Low	102 Å²	102	90.7 Å²	90.7	48%	0.477	45%	0.454	S	S	.	.	H	α-helix	trans	-67.8	-48	173.5	-171.4	67.9	63.9	0	0	110.4	V644 K645 R650 F651 D652	V644-Q648 VanDerWaalsContact O-CB 3.3Å; V644-Q648 WeakPolarHBondContact O-CB 3.26Å; V644-Q648 PolarHBondContact O-N 3.26Å; K645-Q648 PolarHBondContact O-N 3.39Å; Q648-R650 PolarHBondContact O-N 2.8Å; Q648-F651 PolarHBondContact O-N 2.88Å; Q648-F651 VanDerWaalsContact O-N 3.15Å; Q648-D652 PolarHBondContact NE2-OD1 3.44Å; Q648-D652 WeakPolarHBondContact O-CB 3.02Å; Q648-D652 PolarHBondContact O-N 3.46Å
649	I	64.1	Low	55.9	Low	96 Å²	96	90 Å²	90	49%	0.492	46%	0.455	S	S	.	.	H	α-helix	trans	-62.2	-42.7	176.1	-68.5	163.9	0	0	0	110.8	K645 Q653	K645-I649 WeakPolarHBondContact O-CB 3.05Å; K645-I649 VanDerWaalsContact O-CG1 3.25Å; K645-I649 WeakPolarHBondContact O-CG1 3.32Å; K645-I649 PolarHBondContact O-N 3.04Å; I649-Q653 VanDerWaalsContact O-CB 3.27Å; I649-Q653 WeakPolarHBondContact O-CB 3.49Å; I649-Q653 WeakPolarHBondContact O-CG 3.49Å; I649-Q653 PolarHBondContact O-N 2.89Å
650	R	55.8	Low	54.7	Low	167 Å²	167	95.2 Å²	95.2	63%	0.63	47%	0.474	S	S	*	.	H	α-helix	trans	-69.2	-32.4	173.8	-76.6	178.9	179.5	-174.3	2.2	112.7	A646 Q648 V654	A646-R650 WeakPolarHBondContact O-CB 3.15Å; A646-R650 WeakPolarHBondContact O-CG 3.11Å; A646-R650 PolarHBondContact O-N 3.43Å; Q648-R650 PolarHBondContact O-N 2.8Å; R650-V654 WeakPolarHBondContact O-CB 3.49Å; R650-V654 WeakPolarHBondContact O-CG2 3.37Å; R650-V654 PolarHBondContact O-N 2.97Å
651	F	49.3	Very low	53.7	Low	97 Å²	97	96 Å²	96	43%	0.425	48%	0.479	S	S	.	.	H	α-helix	trans	-68.2	-47.5	174.7	-179.9	-88.1	0	0	0	109.5	L647 Q648 Q653 V654 F655	L647-F651 WeakPolarHBondContact O-CA 3.28Å; L647-F651 WeakPolarHBondContact O-CB 3.16Å; L647-F651 PolarHBondContact O-N 3.1Å; Q648-F651 PolarHBondContact O-N 2.88Å; Q648-F651 VanDerWaalsContact O-N 3.15Å; F651-Q653 PolarHBondContact O-N 3.43Å; F651-V654 PolarHBondContact O-N 3.43Å; F651-F655 HydrophobicContact CE1-CB 4.43Å; F651-F655 AromaticContact CE1-CD2 3.91Å; F651-F655 HydrophobicContact CE1-CD2 3.91Å; F651-F655 HydrophobicContact CE1-CG 4.43Å; F651-F655 AromaticContact CZ-CD2 3.9Å; F651-F655 HydrophobicContact CZ-CD2 3.9Å; F651-F655 HydrophobicContact CZ-CE2 4.47Å; F651-F655 WeakPolarHBondContact O-CA 3.15Å; F651-F655 WeakPolarHBondContact O-CB 3.36Å; F651-F655 PolarHBondContact O-N 2.84Å
652	D	54.3	Low	52.7	Low	75 Å²	75	102 Å²	102	40%	0.401	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-45.1	177	-59.3	-15.1	0	0	0	110.1	Q648 F655 N656	Q648-D652 PolarHBondContact NE2-OD1 3.44Å; Q648-D652 WeakPolarHBondContact O-CB 3.02Å; Q648-D652 PolarHBondContact O-N 3.46Å; D652-F655 PolarHBondContact O-N 3.39Å; D652-N656 WeakPolarHBondContact O-CB 3.44Å; D652-N656 PolarHBondContact O-N 2.79Å; D652-N656 PolarHBondContact O-ND2 2.87Å; D652-N656 PolarHBondContact O-OD1 3.34Å
653	Q	54.6	Low	51.4	Low	101 Å²	101	98.3 Å²	98.3	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-47.4	172.9	-75.6	173.8	-23.4	0	0	112.8	I649 F651 N656 N657	I649-Q653 VanDerWaalsContact O-CB 3.27Å; I649-Q653 WeakPolarHBondContact O-CB 3.49Å; I649-Q653 WeakPolarHBondContact O-CG 3.49Å; I649-Q653 PolarHBondContact O-N 2.89Å; F651-Q653 PolarHBondContact O-N 3.43Å; Q653-N656 PolarHBondContact O-N 2.86Å; Q653-N657 WeakPolarHBondContact O-CB 3.12Å; Q653-N657 PolarHBondContact O-N 2.82Å; Q653-N657 PolarHBondContact O-ND2 3.28Å
654	V	44	Very low	50.2	Low	60 Å²	60	94.5 Å²	94.5	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-70.2	-33.5	-179.5	167.6	0	0	0	0	110.9	R650 F651 N657 N658	R650-V654 WeakPolarHBondContact O-CB 3.49Å; R650-V654 WeakPolarHBondContact O-CG2 3.37Å; R650-V654 PolarHBondContact O-N 2.97Å; F651-V654 PolarHBondContact O-N 3.43Å; V654-N657 CarbonylContact O-C 3.55Å; V654-N657 PolarHBondContact O-N 2.84Å; V654-N658 WeakPolarHBondContact O-CA 3.47Å; V654-N658 WeakPolarHBondContact O-CB 3.32Å; V654-N658 PolarHBondContact O-N 3.12Å
655	F	43	Very low	49.2	Very low	87 Å²	87	95.7 Å²	95.7	38%	0.382	49%	0.489	S	S	.	.	H	α-helix	trans	-65.8	-42.7	173.7	-164.1	-84.7	0	0	0	110.6	F651 D652 N657 N658	F651-F655 HydrophobicContact CE1-CB 4.43Å; F651-F655 AromaticContact CE1-CD2 3.91Å; F651-F655 HydrophobicContact CE1-CD2 3.91Å; F651-F655 HydrophobicContact CE1-CG 4.43Å; F651-F655 AromaticContact CZ-CD2 3.9Å; F651-F655 HydrophobicContact CZ-CD2 3.9Å; F651-F655 HydrophobicContact CZ-CE2 4.47Å; F651-F655 WeakPolarHBondContact O-CA 3.15Å; F651-F655 WeakPolarHBondContact O-CB 3.36Å; F651-F655 PolarHBondContact O-N 2.84Å; D652-F655 PolarHBondContact O-N 3.39Å; F655-N657 VanDerWaalsContact C-N 3.27Å; F655-N657 PolarHBondContact O-N 2.67Å; F655-N658 PolarHBondContact O-N 2.76Å
656	N	48.2	Very low	48.2	Very low	35 Å²	35	96.6 Å²	96.6	19%	0.187	50%	0.498	C	S	.	.	H	α-helix	trans	-66.8	-24	172.8	-63.8	-10	0	0	0	113.1	Q498 E502 D652 Q653	Q498-N656 HydrophobicContact CG-CB 4.49Å; Q498-N656 PolarHBondContact NE2-O 3.06Å; E502-N656 WeakPolarHBondContact CG-ND2 3.46Å; E502-N656 PolarHBondContact OE1-ND2 2.65Å; D652-N656 WeakPolarHBondContact O-CB 3.44Å; D652-N656 PolarHBondContact O-N 2.79Å; D652-N656 PolarHBondContact O-ND2 2.87Å; D652-N656 PolarHBondContact O-OD1 3.34Å; Q653-N656 PolarHBondContact O-N 2.86Å
657	N	44.7	Very low	47.4	Very low	91 Å²	91	101.3 Å²	101.3	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-94.2	-17.9	175.4	-78.2	-80.8	0	0	0	114	Q498 Q653 V654 F655 I659	Q498-N657 PolarHBondContact NE2-ND2 3.06Å; Q498-N657 PolarHBondContact NE2-OD1 3.38Å; Q653-N657 WeakPolarHBondContact O-CB 3.12Å; Q653-N657 PolarHBondContact O-N 2.82Å; Q653-N657 PolarHBondContact O-ND2 3.28Å; V654-N657 CarbonylContact O-C 3.55Å; V654-N657 PolarHBondContact O-N 2.84Å; F655-N657 VanDerWaalsContact C-N 3.27Å; F655-N657 PolarHBondContact O-N 2.67Å; N657-I659 PolarHBondContact O-N 3.49Å; N657-I659 VanDerWaalsContact O-N 3.12Å
658	N	39.6	Very low	47.1	Very low	84 Å²	84	100.1 Å²	100.1	45%	0.449	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	0.2	-166.9	-101.6	-5.7	0	0	0	114.9	V654 F655 Q668	V654-N658 WeakPolarHBondContact O-CA 3.47Å; V654-N658 WeakPolarHBondContact O-CB 3.32Å; V654-N658 PolarHBondContact O-N 3.12Å; F655-N658 PolarHBondContact O-N 2.76Å; N658-Q668 PolarHBondContact OD1-NE2 3.46Å
659	I	48.2	Very low	46.5	Very low	100 Å²	100	101.4 Å²	101.4	51%	0.513	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-25.6	-178.8	-69.5	174.2	0	0	0	112.1	Q501 N657	Q501-I659 VanDerWaalsContact NE2-CD1 3.3Å; N657-I659 PolarHBondContact O-N 3.49Å; N657-I659 VanDerWaalsContact O-N 3.12Å
660	E	42.1	Very low	46.3	Very low	174 Å²	174	100.1 Å²	100.1	81%	0.813	51%	0.509	S	S	*	.	S	Bend	trans	-90.8	-37.7	-169.5	-66.2	-161.2	132.5	0	0	116.2
661	V	38.4	Very low	46.3	Very low	96 Å²	96	95 Å²	95	58%	0.582	50%	0.497	S	S	*	.			trans	-120.7	91.8	-160.3	-170.1	0	0	0	0	114.6	G663 A664	V661-G663 PolarHBondContact O-N 3.19Å; V661-A664 PolarHBondContact O-N 2.65Å
662	K	41.2	Very low	46.6	Very low	205 Å²	205	94.3 Å²	94.3	89%	0.891	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-14.1	171.9	-76.5	-177.9	175.4	176.7	0	115.5
663	G	41.8	Very low	47.2	Very low	53 Å²	53	94 Å²	94	55%	0.546	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-26.9	178.1	0	0	0	0	0	114.7	V661 L665	V661-G663 PolarHBondContact O-N 3.19Å; G663-L665 VanDerWaalsContact C-N 3.3Å; G663-L665 PolarHBondContact O-N 3.29Å
664	A	37.8	Very low	47.8	Very low	32 Å²	32	98 Å²	98	26%	0.264	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-14.1	-171.9	0	0	0	0	0	114.3	V661 I666 E667 Q668	V661-A664 PolarHBondContact O-N 2.65Å; A664-I666 VanDerWaalsContact C-N 3.28Å; A664-I666 PolarHBondContact O-N 2.85Å; A664-E667 PolarHBondContact O-N 3.38Å; A664-Q668 PolarHBondContact O-N 2.75Å
665	L	39.4	Very low	48.5	Very low	103 Å²	103	101.2 Å²	101.2	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-56.8	-39.9	-177.6	-113.3	87.5	0	0	0	112.7	G663 Q668 E669	G663-L665 VanDerWaalsContact C-N 3.3Å; G663-L665 PolarHBondContact O-N 3.29Å; L665-Q668 PolarHBondContact O-N 2.82Å; L665-E669 PolarHBondContact O-N 2.76Å
666	I	48.3	Very low	49.6	Very low	130 Å²	130	103.9 Å²	103.9	67%	0.667	52%	0.52	S	S	*	.	H	α-helix	trans	-67.9	-38.9	-175.8	-62.8	169	0	0	0	111.1	A664 S670	A664-I666 VanDerWaalsContact C-N 3.28Å; A664-I666 PolarHBondContact O-N 2.85Å; I666-S670 PolarHBondContact O-N 3.44Å
667	E	48	Very low	50.5	Low	146 Å²	146	109.7 Å²	109.7	68%	0.682	54%	0.539	S	S	*	.	H	α-helix	trans	-71.6	-35.8	174	-66	-164.7	139.8	0	0	111.7	A664 S670 T671	A664-E667 PolarHBondContact O-N 3.38Å; E667-S670 PolarHBondContact O-N 3.2Å; E667-S670 PolarHBondContact O-OG 3.31Å; E667-T671 WeakPolarHBondContact O-CB 3.5Å; E667-T671 PolarHBondContact O-N 3.48Å; E667-T671 PolarHBondContact O-OG1 2.82Å
668	Q	45.7	Very low	51.6	Low	69 Å²	69	108 Å²	108	32%	0.322	54%	0.535	S	S	.	.	H	α-helix	trans	-67.5	-40.2	175.4	-70.9	-172.6	16.6	0	0	112.3	N658 A664 L665 S670 T671 I672	N658-Q668 PolarHBondContact OD1-NE2 3.46Å; A664-Q668 PolarHBondContact O-N 2.75Å; L665-Q668 PolarHBondContact O-N 2.82Å; Q668-S670 PolarHBondContact O-N 3.13Å; Q668-T671 PolarHBondContact O-N 3.49Å; Q668-T671 VanDerWaalsContact O-N 3.13Å; Q668-I672 WeakPolarHBondContact O-CG1 3.48Å; Q668-I672 PolarHBondContact O-N 3.21Å
669	E	49.3	Very low	52.8	Low	128 Å²	128	108 Å²	108	60%	0.598	53%	0.534	S	S	*	.	H	α-helix	trans	-57.4	-47.4	170.3	-77.1	-171.2	135.6	0	0	111.3	L665 T671 I672 D673	L665-E669 PolarHBondContact O-N 2.76Å; E669-T671 PolarHBondContact O-N 2.72Å; E669-I672 PolarHBondContact O-N 2.77Å; E669-D673 PolarHBondContact O-N 2.83Å
670	S	59.1	Low	53.7	Low	69 Å²	69	105.5 Å²	105.5	48%	0.483	53%	0.528	S	S	.	.	H	α-helix	trans	-59.7	-31.6	177.3	86.9	0	0	0	0	113	I666 E667 Q668 R674	I666-S670 PolarHBondContact O-N 3.44Å; E667-S670 PolarHBondContact O-N 3.2Å; E667-S670 PolarHBondContact O-OG 3.31Å; Q668-S670 PolarHBondContact O-N 3.13Å; S670-R674 PolarHBondContact O-N 2.75Å; S670-R674 VanDerWaalsContact O-N 3.13Å
671	T	55.4	Low	54.9	Low	59 Å²	59	105.7 Å²	105.7	36%	0.362	52%	0.521	S	S	.	.	H	α-helix	trans	-80.3	-40	179.9	-57.6	0	0	0	0	111.5	E667 Q668 E669 D673 R674 Y675	E667-T671 WeakPolarHBondContact O-CB 3.5Å; E667-T671 PolarHBondContact O-N 3.48Å; E667-T671 PolarHBondContact O-OG1 2.82Å; Q668-T671 PolarHBondContact O-N 3.49Å; Q668-T671 VanDerWaalsContact O-N 3.13Å; E669-T671 PolarHBondContact O-N 2.72Å; T671-D673 VanDerWaalsContact C-N 3.34Å; T671-R674 WeakPolarHBondContact O-CA 3.2Å; T671-R674 WeakPolarHBondContact O-CB 3.24Å; T671-R674 PolarHBondContact O-N 3.41Å; T671-Y675 HydrophobicContact CG2-CD2 4.08Å; T671-Y675 HydrophobicContact CG2-CE2 3.64Å; T671-Y675 VanDerWaalsContact O-CD2 3.27Å; T671-Y675 WeakPolarHBondContact O-CD2 3.31Å; T671-Y675 PolarHBondContact O-N 2.76Å
672	I	56.3	Low	56	Low	83 Å²	83	106.1 Å²	106.1	43%	0.426	52%	0.52	S	S	.	.	H	α-helix	trans	-61.2	-43.7	171.8	-71.3	165.5	0	0	0	110.1	Q668 E669 R674 Y675 R676	Q668-I672 WeakPolarHBondContact O-CG1 3.48Å; Q668-I672 PolarHBondContact O-N 3.21Å; E669-I672 PolarHBondContact O-N 2.77Å; I672-R674 PolarHBondContact O-N 2.77Å; I672-Y675 PolarHBondContact O-N 3.41Å; I672-Y675 VanDerWaalsContact O-N 3.15Å; I672-R676 HydrophobicContact CG2-CG 4.4Å; I672-R676 WeakPolarHBondContact O-CG 3.27Å; I672-R676 PolarHBondContact O-N 3.21Å
673	D	66.7	Low	57.3	Low	70 Å²	70	101 Å²	101	37%	0.374	50%	0.499	S	S	.	.	H	α-helix	trans	-68.2	-20.9	173.9	-92.9	11.2	0	0	0	113.4	E669 T671 R676 R677	E669-D673 PolarHBondContact O-N 2.83Å; T671-D673 VanDerWaalsContact C-N 3.34Å; D673-R676 VanDerWaalsContact OD1-CD 3.24Å; D673-R676 WeakPolarHBondContact OD1-CD 3.37Å; D673-R676 IonicContact OD1-CZ 2.98Å; D673-R676 IonicContact OD1-NE 3.34Å; D673-R676 IonicContact OD1-NH1 2.6Å; D673-R676 PolarHBondContact OD1-NH1 2.75Å; D673-R677 WeakPolarHBondContact O-CG 3.48Å; D673-R677 PolarHBondContact O-N 3.25Å; D673-R677 PolarHBondContact O-NE 3.32Å
674	R	67.3	Low	58.5	Low	184 Å²	184	102.4 Å²	102.4	69%	0.694	50%	0.497	S	S	*	.	H	α-helix	trans	-71.9	-46.3	168.6	-147.9	177.4	-164.4	167.1	4.7	110.4	S670 T671 I672 R677 S678	S670-R674 PolarHBondContact O-N 2.75Å; S670-R674 VanDerWaalsContact O-N 3.13Å; T671-R674 WeakPolarHBondContact O-CA 3.2Å; T671-R674 WeakPolarHBondContact O-CB 3.24Å; T671-R674 PolarHBondContact O-N 3.41Å; I672-R674 PolarHBondContact O-N 2.77Å; R674-R677 PolarHBondContact O-N 2.76Å; R674-S678 PolarHBondContact O-N 3.28Å; R674-S678 PolarHBondContact O-OG 3.15Å
675	Y	57.7	Low	59.8	Low	127 Å²	127	104.6 Å²	104.6	50%	0.498	50%	0.504	S	S	.	.	H	α-helix	trans	-67.2	-39.8	176.5	-70.2	-57.5	0	0	0	113.2	T671 I672 R677 S678 I679	T671-Y675 HydrophobicContact CG2-CD2 4.08Å; T671-Y675 HydrophobicContact CG2-CE2 3.64Å; T671-Y675 VanDerWaalsContact O-CD2 3.27Å; T671-Y675 WeakPolarHBondContact O-CD2 3.31Å; T671-Y675 PolarHBondContact O-N 2.76Å; I672-Y675 PolarHBondContact O-N 3.41Å; I672-Y675 VanDerWaalsContact O-N 3.15Å; Y675-R677 VanDerWaalsContact C-N 3.3Å; Y675-R677 PolarHBondContact O-N 2.83Å; Y675-S678 PolarHBondContact O-N 2.81Å; Y675-S678 VanDerWaalsContact O-N 3.11Å; Y675-I679 WeakPolarHBondContact O-CG1 3.48Å; Y675-I679 PolarHBondContact O-N 3.32Å
676	R	67	Low	60.9	Low	143 Å²	143	103.4 Å²	103.4	54%	0.54	50%	0.498	S	S	.	.	H	α-helix	trans	-55.5	-44.6	171.7	-74.5	167.7	173.5	165.7	-2.1	111.3	I672 D673 I679 A680	I672-R676 HydrophobicContact CG2-CG 4.4Å; I672-R676 WeakPolarHBondContact O-CG 3.27Å; I672-R676 PolarHBondContact O-N 3.21Å; D673-R676 VanDerWaalsContact OD1-CD 3.24Å; D673-R676 WeakPolarHBondContact OD1-CD 3.37Å; D673-R676 IonicContact OD1-CZ 2.98Å; D673-R676 IonicContact OD1-NE 3.34Å; D673-R676 IonicContact OD1-NH1 2.6Å; D673-R676 PolarHBondContact OD1-NH1 2.75Å; R676-I679 PolarHBondContact O-N 3.38Å; R676-A680 WeakPolarHBondContact O-CB 3.42Å; R676-A680 PolarHBondContact O-N 2.91Å
677	R	67.7	Low	61.6	Low	157 Å²	157	99.6 Å²	99.6	59%	0.592	49%	0.485	S	S	*	.	H	α-helix	trans	-67	-34.5	175.2	-78.6	177.2	-77.1	-171.6	-6.6	113.3	D673 R674 Y675 R681	D673-R677 WeakPolarHBondContact O-CG 3.48Å; D673-R677 PolarHBondContact O-N 3.25Å; D673-R677 PolarHBondContact O-NE 3.32Å; R674-R677 PolarHBondContact O-N 2.76Å; Y675-R677 VanDerWaalsContact C-N 3.3Å; Y675-R677 PolarHBondContact O-N 2.83Å; R677-R681 WeakPolarHBondContact O-CG 3.48Å; R677-R681 PolarHBondContact O-N 3.12Å
678	S	66.5	Low	62.5	Low	56 Å²	56	97.3 Å²	97.3	39%	0.392	48%	0.476	S	S	.	.	H	α-helix	trans	-70.4	-39.6	173.4	-62.1	0	0	0	0	112.8	R674 Y675 R681 L682	R674-S678 PolarHBondContact O-N 3.28Å; R674-S678 PolarHBondContact O-OG 3.15Å; Y675-S678 PolarHBondContact O-N 2.81Å; Y675-S678 VanDerWaalsContact O-N 3.11Å; S678-R681 PolarHBondContact O-N 3.27Å; S678-L682 WeakPolarHBondContact O-CG 3.3Å; S678-L682 PolarHBondContact O-N 2.63Å
679	I	64.5	Low	63.1	Low	83 Å²	83	97.4 Å²	97.4	43%	0.426	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-47.4	176	-69.5	166.2	0	0	0	110.2	Y675 R676 R681 L682 E683	Y675-I679 WeakPolarHBondContact O-CG1 3.48Å; Y675-I679 PolarHBondContact O-N 3.32Å; R676-I679 PolarHBondContact O-N 3.38Å; I679-R681 VanDerWaalsContact C-N 3.25Å; I679-R681 PolarHBondContact O-N 3.42Å; I679-L682 PolarHBondContact O-N 2.99Å; I679-L682 VanDerWaalsContact O-N 3.11Å; I679-E683 HydrophobicContact CG2-CG 4.23Å; I679-E683 WeakPolarHBondContact O-CB 3.42Å; I679-E683 WeakPolarHBondContact O-CG 3.49Å; I679-E683 PolarHBondContact O-N 3.38Å
680	A	67.2	Low	63.6	Low	48 Å²	48	95.8 Å²	95.8	40%	0.397	48%	0.477	S	S	.	.	H	α-helix	trans	-60.4	-33.5	176.9	0	0	0	0	0	112.9	R676 T684	R676-A680 WeakPolarHBondContact O-CB 3.42Å; R676-A680 PolarHBondContact O-N 2.91Å; A680-T684 WeakPolarHBondContact O-CB 3.46Å; A680-T684 PolarHBondContact O-N 2.88Å; A680-T684 PolarHBondContact O-OG1 3.31Å
681	R	66.9	Low	63.6	Low	179 Å²	179	98.1 Å²	98.1	68%	0.675	48%	0.482	S	S	*	.	H	α-helix	trans	-65.1	-53.3	170.2	-76.1	174	-179.9	-163.7	-2.2	111.3	R677 S678 I679 E683 T684 D685	R677-R681 WeakPolarHBondContact O-CG 3.48Å; R677-R681 PolarHBondContact O-N 3.12Å; S678-R681 PolarHBondContact O-N 3.27Å; I679-R681 VanDerWaalsContact C-N 3.25Å; I679-R681 PolarHBondContact O-N 3.42Å; R681-E683 VanDerWaalsContact C-N 3.27Å; R681-E683 PolarHBondContact O-N 3.16Å; R681-T684 CarbonylContact O-C 3.48Å; R681-T684 WeakPolarHBondContact O-CA 3.27Å; R681-T684 VanDerWaalsContact O-CB 3.27Å; R681-T684 WeakPolarHBondContact O-CB 3.23Å; R681-T684 PolarHBondContact O-N 3.44Å; R681-D685 PolarHBondContact O-N 2.98Å
682	L	62.8	Low	63.8	Low	104 Å²	104	101.1 Å²	101.1	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-59.8	-34.4	178.5	-70.8	169.5	0	0	0	113.2	S678 I679 I686	S678-L682 WeakPolarHBondContact O-CG 3.3Å; S678-L682 PolarHBondContact O-N 2.63Å; I679-L682 PolarHBondContact O-N 2.99Å; I679-L682 VanDerWaalsContact O-N 3.11Å; L682-I686 WeakPolarHBondContact O-CB 3.38Å; L682-I686 WeakPolarHBondContact O-CD1 3.04Å; L682-I686 WeakPolarHBondContact O-CG1 3.27Å; L682-I686 PolarHBondContact O-N 2.95Å
683	E	67.7	Low	63.7	Low	99 Å²	99	101.3 Å²	101.3	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-68.9	-35.1	173.2	-72.3	172.3	161.1	0	0	111.5	I679 R681 A687	I679-E683 HydrophobicContact CG2-CG 4.23Å; I679-E683 WeakPolarHBondContact O-CB 3.42Å; I679-E683 WeakPolarHBondContact O-CG 3.49Å; I679-E683 PolarHBondContact O-N 3.38Å; R681-E683 VanDerWaalsContact C-N 3.27Å; R681-E683 PolarHBondContact O-N 3.16Å; E683-A687 WeakPolarHBondContact O-CB 3.09Å; E683-A687 PolarHBondContact O-N 3.28Å
684	T	66.7	Low	63	Low	81 Å²	81	103.4 Å²	103.4	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-68.5	-45.3	171.3	-52.5	0	0	0	0	111.6	A680 R681 A687 M688	A680-T684 WeakPolarHBondContact O-CB 3.46Å; A680-T684 PolarHBondContact O-N 2.88Å; A680-T684 PolarHBondContact O-OG1 3.31Å; R681-T684 CarbonylContact O-C 3.48Å; R681-T684 WeakPolarHBondContact O-CA 3.27Å; R681-T684 VanDerWaalsContact O-CB 3.27Å; R681-T684 WeakPolarHBondContact O-CB 3.23Å; R681-T684 PolarHBondContact O-N 3.44Å; T684-A687 PolarHBondContact O-N 2.78Å; T684-M688 WeakPolarHBondContact O-CG 3.39Å; T684-M688 PolarHBondContact O-N 3.36Å
685	D	65.4	Low	62.2	Low	78 Å²	78	99.5 Å²	99.5	42%	0.417	49%	0.493	S	S	.	.	H	α-helix	trans	-65	-40.2	-179.9	-61.6	-35.4	0	0	0	110.9	R681 M688 T689	R681-D685 PolarHBondContact O-N 2.98Å; D685-M688 PolarHBondContact O-N 3.15Å; D685-T689 WeakPolarHBondContact O-CB 3.15Å; D685-T689 PolarHBondContact O-N 2.83Å; D685-T689 PolarHBondContact O-OG1 3.47Å
686	I	61.6	Low	61.9	Low	79 Å²	79	98.7 Å²	98.7	41%	0.405	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-46.5	171.2	-71.3	164.9	0	0	0	110.3	L682 M688 T689 D690	L682-I686 WeakPolarHBondContact O-CB 3.38Å; L682-I686 WeakPolarHBondContact O-CD1 3.04Å; L682-I686 WeakPolarHBondContact O-CG1 3.27Å; L682-I686 PolarHBondContact O-N 2.95Å; I686-M688 VanDerWaalsContact C-N 3.31Å; I686-M688 PolarHBondContact O-N 3.32Å; I686-T689 CarbonylContact O-C 3.53Å; I686-T689 WeakPolarHBondContact O-CA 3.32Å; I686-T689 WeakPolarHBondContact O-CB 3.2Å; I686-T689 PolarHBondContact O-N 2.59Å; I686-D690 PolarHBondContact O-N 2.85Å
687	A	64.4	Low	61	Low	49 Å²	49	93.9 Å²	93.9	41%	0.405	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-35.8	177.5	0	0	0	0	0	112.8	E683 T684 M691	E683-A687 WeakPolarHBondContact O-CB 3.09Å; E683-A687 PolarHBondContact O-N 3.28Å; T684-A687 PolarHBondContact O-N 2.78Å; A687-M691 WeakPolarHBondContact O-CB 3.43Å; A687-M691 WeakPolarHBondContact O-CG 3.28Å; A687-M691 PolarHBondContact O-N 2.78Å
688	M	65.4	Low	59.9	Low	98 Å²	98	90.5 Å²	90.5	48%	0.483	48%	0.482	S	S	.	.	H	α-helix	trans	-68.7	-38	170.7	-66	-148.6	-52.7	0	0	112	T684 D685 I686 M691 E692	T684-M688 WeakPolarHBondContact O-CG 3.39Å; T684-M688 PolarHBondContact O-N 3.36Å; D685-M688 PolarHBondContact O-N 3.15Å; I686-M688 VanDerWaalsContact C-N 3.31Å; I686-M688 PolarHBondContact O-N 3.32Å; M688-M691 HydrophobicContact CG-CE 4.11Å; M688-M691 CarbonylContact O-C 3.59Å; M688-M691 PolarHBondContact O-N 2.86Å; M688-E692 WeakPolarHBondContact O-CB 3.25Å; M688-E692 WeakPolarHBondContact O-CG 3.44Å; M688-E692 PolarHBondContact O-N 2.78Å
689	T	59.8	Low	59	Low	72 Å²	72	93 Å²	93	44%	0.442	49%	0.486	S	S	.	.	H	α-helix	trans	-66.3	-40.8	176.5	-51	0	0	0	0	111.4	D685 I686 E692 I693	D685-T689 WeakPolarHBondContact O-CB 3.15Å; D685-T689 PolarHBondContact O-N 2.83Å; D685-T689 PolarHBondContact O-OG1 3.47Å; I686-T689 CarbonylContact O-C 3.53Å; I686-T689 WeakPolarHBondContact O-CA 3.32Å; I686-T689 WeakPolarHBondContact O-CB 3.2Å; I686-T689 PolarHBondContact O-N 2.59Å; T689-E692 PolarHBondContact O-N 2.96Å; T689-I693 HydrophobicContact CG2-CD1 4.07Å; T689-I693 WeakPolarHBondContact O-CB 3.46Å; T689-I693 VanDerWaalsContact O-CG1 3.25Å; T689-I693 WeakPolarHBondContact O-CG1 3.47Å; T689-I693 PolarHBondContact O-N 3.46Å
690	D	59.4	Low	58.3	Low	93 Å²	93	91.5 Å²	91.5	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-65.5	-41.2	173.8	-75	-24.6	0	0	0	110.6	I686 I693 D694	I686-D690 PolarHBondContact O-N 2.85Å; D690-I693 PolarHBondContact O-N 3.15Å; D690-D694 WeakPolarHBondContact O-CB 3.34Å; D690-D694 PolarHBondContact O-N 3.48Å
691	M	59.2	Low	57.3	Low	119 Å²	119	95.1 Å²	95.1	59%	0.586	49%	0.49	S	S	*	.	H	α-helix	trans	-63	-37.6	170.7	-77.6	-165.9	-57.2	0	0	113.1	A687 M688 E695	A687-M691 WeakPolarHBondContact O-CB 3.43Å; A687-M691 WeakPolarHBondContact O-CG 3.28Å; A687-M691 PolarHBondContact O-N 2.78Å; M688-M691 HydrophobicContact CG-CE 4.11Å; M688-M691 CarbonylContact O-C 3.59Å; M688-M691 PolarHBondContact O-N 2.86Å; M691-E695 VanDerWaalsContact O-CB 3.27Å; M691-E695 WeakPolarHBondContact O-CB 3.5Å; M691-E695 WeakPolarHBondContact O-CG 3.2Å; M691-E695 PolarHBondContact O-N 3.46Å
692	E	59.3	Low	56.6	Low	121 Å²	121	89.6 Å²	89.6	57%	0.565	48%	0.479	S	S	*	.	H	α-helix	trans	-68.6	-38.3	174.6	-79.5	-171.6	-176.7	0	0	111.4	M688 T689 E695 I696	M688-E692 WeakPolarHBondContact O-CB 3.25Å; M688-E692 WeakPolarHBondContact O-CG 3.44Å; M688-E692 PolarHBondContact O-N 2.78Å; T689-E692 PolarHBondContact O-N 2.96Å; E692-E695 PolarHBondContact O-N 2.71Å; E692-I696 VanDerWaalsContact O-CB 3.28Å; E692-I696 WeakPolarHBondContact O-CB 3.39Å; E692-I696 WeakPolarHBondContact O-CD1 3.47Å; E692-I696 WeakPolarHBondContact O-CG1 3.34Å; E692-I696 PolarHBondContact O-N 3.28Å
693	I	54.5	Low	56.3	Low	88 Å²	88	92 Å²	92	45%	0.451	49%	0.485	S	S	.	.	H	α-helix	trans	-66.6	-42.2	174.7	-71.8	165.7	0	0	0	110.6	T689 D690 I696 T697	T689-I693 HydrophobicContact CG2-CD1 4.07Å; T689-I693 WeakPolarHBondContact O-CB 3.46Å; T689-I693 VanDerWaalsContact O-CG1 3.25Å; T689-I693 WeakPolarHBondContact O-CG1 3.47Å; T689-I693 PolarHBondContact O-N 3.46Å; D690-I693 PolarHBondContact O-N 3.15Å; I693-I696 PolarHBondContact O-N 2.94Å; I693-T697 WeakPolarHBondContact O-CB 3.24Å; I693-T697 PolarHBondContact O-N 3.37Å; I693-T697 PolarHBondContact O-OG1 2.81Å
694	D	51.1	Low	55.8	Low	113 Å²	113	93.2 Å²	93.2	60%	0.604	49%	0.49	S	S	*	.	H	α-helix	trans	-70.5	-36.1	174.5	-94.7	-17.9	0	0	0	112	D690 T697 C698	D690-D694 WeakPolarHBondContact O-CB 3.34Å; D690-D694 PolarHBondContact O-N 3.48Å; D694-T697 PolarHBondContact O-N 3.47Å; D694-C698 WeakPolarHBondContact O-CA 3.42Å; D694-C698 WeakPolarHBondContact O-CB 3.48Å; D694-C698 PolarHBondContact O-N 3.02Å
695	E	50.9	Low	55.2	Low	103 Å²	103	97.8 Å²	97.8	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-46.5	169.6	-91	-132.3	120.1	0	0	111.2	M691 E692 T697 C698 K699	M691-E695 VanDerWaalsContact O-CB 3.27Å; M691-E695 WeakPolarHBondContact O-CB 3.5Å; M691-E695 WeakPolarHBondContact O-CG 3.2Å; M691-E695 PolarHBondContact O-N 3.46Å; E692-E695 PolarHBondContact O-N 2.71Å; E695-T697 VanDerWaalsContact C-N 3.31Å; E695-T697 PolarHBondContact O-N 3.39Å; E695-C698 PolarHBondContact O-N 3.09Å; E695-K699 VanDerWaalsContact CD-CE 3.5Å; E695-K699 WeakPolarHBondContact O-CA 3.03Å; E695-K699 WeakPolarHBondContact O-CB 3.44Å; E695-K699 WeakPolarHBondContact O-CG 3.32Å; E695-K699 PolarHBondContact O-N 2.71Å; E695-K699 WeakPolarHBondContact OE1-CE 3.12Å; E695-K699 IonicContact OE1-NZ 2.72Å; E695-K699 PolarHBondContact OE1-NZ 2.81Å; E695-K699 IonicContact OE2-NZ 2.68Å; E695-K699 PolarHBondContact OE2-NZ 3.43Å
696	I	51	Low	55.1	Low	109 Å²	109	97.1 Å²	97.1	56%	0.559	50%	0.5	S	S	*	.	H	α-helix	trans	-63.9	-40.4	177.5	-73	163.9	0	0	0	110	E692 I693 S700	E692-I696 VanDerWaalsContact O-CB 3.28Å; E692-I696 WeakPolarHBondContact O-CB 3.39Å; E692-I696 WeakPolarHBondContact O-CD1 3.47Å; E692-I696 WeakPolarHBondContact O-CG1 3.34Å; E692-I696 PolarHBondContact O-N 3.28Å; I693-I696 PolarHBondContact O-N 2.94Å; I696-S700 WeakPolarHBondContact O-CB 3.15Å; I696-S700 PolarHBondContact O-N 3.31Å; I696-S700 PolarHBondContact O-OG 2.84Å
697	T	48.9	Very low	55.4	Low	42 Å²	42	99.7 Å²	99.7	26%	0.258	51%	0.51	S	S	.	.	H	α-helix	trans	-72.4	-32	178.9	-60.5	0	0	0	0	112.2	I693 D694 E695 S700 K701	I693-T697 WeakPolarHBondContact O-CB 3.24Å; I693-T697 PolarHBondContact O-N 3.37Å; I693-T697 PolarHBondContact O-OG1 2.81Å; D694-T697 PolarHBondContact O-N 3.47Å; E695-T697 VanDerWaalsContact C-N 3.31Å; E695-T697 PolarHBondContact O-N 3.39Å; T697-S700 WeakPolarHBondContact CA-OG 3.27Å; T697-S700 PolarHBondContact O-OG 2.83Å; T697-S700 VanDerWaalsContact O-OG 3.09Å; T697-K701 HydrophobicContact CG2-CD 4.12Å; T697-K701 VanDerWaalsContact CG2-NZ 3.34Å; T697-K701 VanDerWaalsContact O-CB 3.26Å; T697-K701 WeakPolarHBondContact O-CB 3.47Å; T697-K701 VanDerWaalsContact O-CD 3.32Å; T697-K701 WeakPolarHBondContact O-CD 3.1Å; T697-K701 WeakPolarHBondContact O-CG 3.45Å; T697-K701 PolarHBondContact O-N 3.38Å; T697-K701 VanDerWaalsContact O-N 3.13Å
698	C	45.1	Very low	55.5	Low	86 Å²	86	103.3 Å²	103.3	58%	0.581	52%	0.52	S	S	*	.	H	α-helix	trans	-79.2	-38.7	175.1	-168	0	0	0	0	111.1	D694 E695 S702	D694-C698 WeakPolarHBondContact O-CA 3.42Å; D694-C698 WeakPolarHBondContact O-CB 3.48Å; D694-C698 PolarHBondContact O-N 3.02Å; E695-C698 PolarHBondContact O-N 3.09Å; C698-S702 WeakPolarHBondContact O-CA 3.49Å; C698-S702 WeakPolarHBondContact O-CB 3.5Å; C698-S702 PolarHBondContact O-N 2.79Å
699	K	47.1	Very low	55.7	Low	109 Å²	109	103.9 Å²	103.9	47%	0.474	53%	0.525	S	S	.	.	H	α-helix	trans	-72.7	-32	175.5	-71.2	168.9	-178.2	174.2	0	112.3	E695 K703	E695-K699 VanDerWaalsContact CD-CE 3.5Å; E695-K699 WeakPolarHBondContact O-CA 3.03Å; E695-K699 WeakPolarHBondContact O-CB 3.44Å; E695-K699 WeakPolarHBondContact O-CG 3.32Å; E695-K699 PolarHBondContact O-N 2.71Å; E695-K699 WeakPolarHBondContact OE1-CE 3.12Å; E695-K699 IonicContact OE1-NZ 2.72Å; E695-K699 PolarHBondContact OE1-NZ 2.81Å; E695-K699 IonicContact OE2-NZ 2.68Å; E695-K699 PolarHBondContact OE2-NZ 3.43Å; K699-K703 WeakPolarHBondContact O-CB 3.11Å; K699-K703 PolarHBondContact O-N 3.2Å
700	S	49.2	Very low	56.4	Low	51 Å²	51	104.8 Å²	104.8	36%	0.357	53%	0.527	S	S	.	.	H	α-helix	trans	-69.9	-53	170.6	66.2	0	0	0	0	110.8	I696 T697 S702 K703 E704	I696-S700 WeakPolarHBondContact O-CB 3.15Å; I696-S700 PolarHBondContact O-N 3.31Å; I696-S700 PolarHBondContact O-OG 2.84Å; T697-S700 WeakPolarHBondContact CA-OG 3.27Å; T697-S700 PolarHBondContact O-OG 2.83Å; T697-S700 VanDerWaalsContact O-OG 3.09Å; S700-S702 PolarHBondContact O-N 3.28Å; S700-K703 PolarHBondContact O-N 3.02Å; S700-E704 PolarHBondContact O-N 2.93Å
701	K	47.5	Very low	57.1	Low	124 Å²	124	106.7 Å²	106.7	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-58.2	-31.7	173.1	-72.1	170	-173.4	167.1	0	112.3	T697 R705	T697-K701 HydrophobicContact CG2-CD 4.12Å; T697-K701 VanDerWaalsContact CG2-NZ 3.34Å; T697-K701 VanDerWaalsContact O-CB 3.26Å; T697-K701 WeakPolarHBondContact O-CB 3.47Å; T697-K701 VanDerWaalsContact O-CD 3.32Å; T697-K701 WeakPolarHBondContact O-CD 3.1Å; T697-K701 WeakPolarHBondContact O-CG 3.45Å; T697-K701 PolarHBondContact O-N 3.38Å; T697-K701 VanDerWaalsContact O-N 3.13Å; K701-R705 WeakPolarHBondContact O-CB 3.35Å; K701-R705 VanDerWaalsContact O-CG 3.26Å; K701-R705 WeakPolarHBondContact O-CG 3.48Å; K701-R705 PolarHBondContact O-N 2.81Å
702	S	51.9	Low	57.8	Low	63 Å²	63	107.5 Å²	107.5	44%	0.441	53%	0.533	S	S	.	.	H	α-helix	trans	-69.6	-45.9	173.1	178.3	0	0	0	0	111.8	C698 S700 S706	C698-S702 WeakPolarHBondContact O-CA 3.49Å; C698-S702 WeakPolarHBondContact O-CB 3.5Å; C698-S702 PolarHBondContact O-N 2.79Å; S700-S702 PolarHBondContact O-N 3.28Å; S702-S706 WeakPolarHBondContact O-CA 3.29Å; S702-S706 WeakPolarHBondContact O-CB 3.25Å; S702-S706 PolarHBondContact O-N 3.28Å; S702-S706 PolarHBondContact O-OG 3.11Å
703	K	56.1	Low	58.3	Low	155 Å²	155	107.5 Å²	107.5	67%	0.674	53%	0.533	S	S	*	.	H	α-helix	trans	-66	-43.1	174.8	-80.1	-174.8	175.4	-179.3	0	112.5	K699 S700 S706 Q707	K699-K703 WeakPolarHBondContact O-CB 3.11Å; K699-K703 PolarHBondContact O-N 3.2Å; S700-K703 PolarHBondContact O-N 3.02Å; K703-S706 PolarHBondContact O-N 3.37Å; K703-Q707 WeakPolarHBondContact O-CB 3.37Å; K703-Q707 PolarHBondContact O-N 3.05Å
704	E	56.3	Low	59.2	Low	125 Å²	125	110 Å²	110	58%	0.584	54%	0.541	S	S	*	.	H	α-helix	trans	-66.8	-44.1	175.9	-70.9	-175.7	143.7	0	0	112.1	S700 S706 Q707 M708	S700-E704 PolarHBondContact O-N 2.93Å; E704-S706 VanDerWaalsContact C-N 3.3Å; E704-S706 PolarHBondContact O-N 3.06Å; E704-Q707 PolarHBondContact O-N 3.26Å; E704-M708 WeakPolarHBondContact O-CB 3.33Å; E704-M708 PolarHBondContact O-N 2.74Å
705	R	55.8	Low	60.1	Low	177 Å²	177	110.1 Å²	110.1	67%	0.668	54%	0.541	S	S	*	.	H	α-helix	trans	-64.1	-34.7	171.4	-79.2	-177.1	164.3	-170.7	-3.7	111.9	K701 L709	K701-R705 WeakPolarHBondContact O-CB 3.35Å; K701-R705 VanDerWaalsContact O-CG 3.26Å; K701-R705 WeakPolarHBondContact O-CG 3.48Å; K701-R705 PolarHBondContact O-N 2.81Å; R705-L709 WeakPolarHBondContact O-CA 3.34Å; R705-L709 WeakPolarHBondContact O-CB 3.41Å; R705-L709 WeakPolarHBondContact O-CD1 3.21Å; R705-L709 WeakPolarHBondContact O-CG 3.28Å; R705-L709 PolarHBondContact O-N 2.81Å
706	S	61.8	Low	60.8	Low	64 Å²	64	113.8 Å²	113.8	45%	0.448	55%	0.55	S	S	.	*	H	α-helix	trans	-71.9	-36.9	177.3	-62.9	0	0	0	0	111.8	S702 K703 E704 N710	S702-S706 WeakPolarHBondContact O-CA 3.29Å; S702-S706 WeakPolarHBondContact O-CB 3.25Å; S702-S706 PolarHBondContact O-N 3.28Å; S702-S706 PolarHBondContact O-OG 3.11Å; K703-S706 PolarHBondContact O-N 3.37Å; E704-S706 VanDerWaalsContact C-N 3.3Å; E704-S706 PolarHBondContact O-N 3.06Å; S706-N710 WeakPolarHBondContact O-CB 3.44Å; S706-N710 PolarHBondContact O-N 2.78Å
707	Q	68.7	Low	61.3	Low	132 Å²	132	113.4 Å²	113.4	62%	0.617	55%	0.547	S	S	*	.	H	α-helix	trans	-67.3	-49.8	171.2	-77.5	-179	-56.7	0	0	110.7	K703 E704 L709 N710 E711	K703-Q707 WeakPolarHBondContact O-CB 3.37Å; K703-Q707 PolarHBondContact O-N 3.05Å; E704-Q707 PolarHBondContact O-N 3.26Å; Q707-L709 VanDerWaalsContact C-N 3.3Å; Q707-L709 PolarHBondContact O-N 3.26Å; Q707-N710 PolarHBondContact O-N 3.05Å; Q707-E711 WeakPolarHBondContact O-CB 3.39Å; Q707-E711 WeakPolarHBondContact O-CG 3.2Å; Q707-E711 PolarHBondContact O-N 2.8Å
708	M	66.9	Low	62	Low	125 Å²	125	115.4 Å²	115.4	62%	0.616	56%	0.563	S	S	*	*	H	α-helix	trans	-58.8	-38.2	173.3	-88.6	-155	-63.9	0	0	112.9	E704 K712	E704-M708 WeakPolarHBondContact O-CB 3.33Å; E704-M708 PolarHBondContact O-N 2.74Å; M708-K712 WeakPolarHBondContact O-CB 3.16Å; M708-K712 PolarHBondContact O-N 3.36Å
709	L	68.7	Low	62.5	Low	111 Å²	111	116.1 Å²	116.1	58%	0.581	56%	0.56	S	S	*	*	H	α-helix	trans	-70.2	-42.6	176.5	-79.8	166.8	0	0	0	111.1	R705 Q707 K712 Q713	R705-L709 WeakPolarHBondContact O-CA 3.34Å; R705-L709 WeakPolarHBondContact O-CB 3.41Å; R705-L709 WeakPolarHBondContact O-CD1 3.21Å; R705-L709 WeakPolarHBondContact O-CG 3.28Å; R705-L709 PolarHBondContact O-N 2.81Å; Q707-L709 VanDerWaalsContact C-N 3.3Å; Q707-L709 PolarHBondContact O-N 3.26Å; L709-K712 CarbonylContact O-C 3.58Å; L709-K712 PolarHBondContact O-N 2.73Å; L709-Q713 WeakPolarHBondContact O-CA 3.4Å; L709-Q713 WeakPolarHBondContact O-CB 3.33Å; L709-Q713 PolarHBondContact O-N 3.38Å
710	N	74.7	Confident	62.8	Low	91 Å²	91	119.9 Å²	119.9	49%	0.487	57%	0.571	S	S	.	*	H	α-helix	trans	-69.3	-35.9	178.3	-164.3	-20.2	0	0	0	111.4	S706 Q707 Q713 K714	S706-N710 WeakPolarHBondContact O-CB 3.44Å; S706-N710 PolarHBondContact O-N 2.78Å; Q707-N710 PolarHBondContact O-N 3.05Å; N710-Q713 PolarHBondContact O-N 2.79Å; N710-K714 WeakPolarHBondContact O-CB 3.5Å; N710-K714 VanDerWaalsContact O-CG 3.28Å; N710-K714 WeakPolarHBondContact O-CG 3.28Å; N710-K714 PolarHBondContact O-N 2.91Å
711	E	73.4	Confident	62.9	Low	132 Å²	132	124 Å²	124	62%	0.617	59%	0.589	S	S	*	*	H	α-helix	trans	-68.6	-46.4	169.9	-72.7	-168.7	156.8	0	0	112.2	Q707 Q713 K714 L715	Q707-E711 WeakPolarHBondContact O-CB 3.39Å; Q707-E711 WeakPolarHBondContact O-CG 3.2Å; Q707-E711 PolarHBondContact O-N 2.8Å; E711-Q713 PolarHBondContact O-N 3.44Å; E711-K714 CarbonylContact O-C 3.57Å; E711-K714 WeakPolarHBondContact O-CB 3.29Å; E711-K714 PolarHBondContact O-N 2.73Å; E711-L715 WeakPolarHBondContact O-CB 3.29Å; E711-L715 PolarHBondContact O-N 2.76Å
712	K	74.7	Confident	63.1	Low	136 Å²	136	128.2 Å²	128.2	59%	0.591	60%	0.601	S	S	*	*	H	α-helix	trans	-65.9	-25.4	175.4	-168	169.7	-171.7	170.3	0	112.3	M708 L709 R716	M708-K712 WeakPolarHBondContact O-CB 3.16Å; M708-K712 PolarHBondContact O-N 3.36Å; L709-K712 CarbonylContact O-C 3.58Å; L709-K712 PolarHBondContact O-N 2.73Å; K712-R716 VanDerWaalsContact O-CB 3.32Å; K712-R716 WeakPolarHBondContact O-CB 3.2Å; K712-R716 WeakPolarHBondContact O-CG 3.27Å; K712-R716 PolarHBondContact O-N 3.48Å
713	Q	70.9	Confident	62.7	Low	121 Å²	121	132 Å²	132	57%	0.565	61%	0.612	S	S	*	*	H	α-helix	trans	-80	-40.2	172.4	-172.7	168.6	0.5	0	0	111.3	L709 N710 E711 L715 R716 M717	L709-Q713 WeakPolarHBondContact O-CA 3.4Å; L709-Q713 WeakPolarHBondContact O-CB 3.33Å; L709-Q713 PolarHBondContact O-N 3.38Å; N710-Q713 PolarHBondContact O-N 2.79Å; E711-Q713 PolarHBondContact O-N 3.44Å; Q713-L715 VanDerWaalsContact C-N 3.32Å; Q713-L715 PolarHBondContact O-N 2.78Å; Q713-R716 CarbonylContact O-C 3.59Å; Q713-R716 PolarHBondContact O-N 2.66Å; Q713-M717 HydrophobicContact CG-CG 4.46Å; Q713-M717 WeakPolarHBondContact O-CB 3.41Å; Q713-M717 WeakPolarHBondContact O-CG 3.41Å; Q713-M717 PolarHBondContact O-N 3.29Å
714	K	73.5	Confident	61.8	Low	142 Å²	142	132.3 Å²	132.3	62%	0.617	62%	0.615	S	S	*	*	H	α-helix	trans	-59.2	-42.5	167	-78.8	172.7	178.7	-178	0	111.3	N710 E711 M717 S718	N710-K714 WeakPolarHBondContact O-CB 3.5Å; N710-K714 VanDerWaalsContact O-CG 3.28Å; N710-K714 WeakPolarHBondContact O-CG 3.28Å; N710-K714 PolarHBondContact O-N 2.91Å; E711-K714 CarbonylContact O-C 3.57Å; E711-K714 WeakPolarHBondContact O-CB 3.29Å; E711-K714 PolarHBondContact O-N 2.73Å; K714-M717 PolarHBondContact O-N 2.97Å; K714-S718 WeakPolarHBondContact O-CB 3.14Å; K714-S718 PolarHBondContact O-N 2.63Å
715	L	69.6	Low	60.9	Low	114 Å²	114	133 Å²	133	60%	0.597	62%	0.623	S	S	*	*	H	α-helix	trans	-62.9	-47.1	174.7	-146.6	81	0	0	0	110.7	E711 Q713 M717 S718 I719	E711-L715 WeakPolarHBondContact O-CB 3.29Å; E711-L715 PolarHBondContact O-N 2.76Å; Q713-L715 VanDerWaalsContact C-N 3.32Å; Q713-L715 PolarHBondContact O-N 2.78Å; L715-M717 PolarHBondContact O-N 2.96Å; L715-S718 WeakPolarHBondContact O-CB 3.4Å; L715-S718 PolarHBondContact O-N 3.32Å; L715-I719 WeakPolarHBondContact O-CB 3.3Å; L715-I719 WeakPolarHBondContact O-CD1 3.08Å; L715-I719 VanDerWaalsContact O-CG1 3.25Å; L715-I719 WeakPolarHBondContact O-CG1 3.12Å; L715-I719 PolarHBondContact O-N 2.83Å
716	R	64.3	Low	60	Low	181 Å²	181	131 Å²	131	68%	0.683	63%	0.63	S	S	*	*	H	α-helix	trans	-62.6	-37	173.9	-84.3	179.8	163.8	-172.2	-5.8	113.1	K712 Q713 I719 R720	K712-R716 VanDerWaalsContact O-CB 3.32Å; K712-R716 WeakPolarHBondContact O-CB 3.2Å; K712-R716 WeakPolarHBondContact O-CG 3.27Å; K712-R716 PolarHBondContact O-N 3.48Å; Q713-R716 CarbonylContact O-C 3.59Å; Q713-R716 PolarHBondContact O-N 2.66Å; R716-I719 PolarHBondContact O-N 3.2Å; R716-R720 WeakPolarHBondContact O-CB 3.29Å; R716-R720 PolarHBondContact O-N 2.8Å
717	M	62	Low	58.8	Low	101 Å²	101	133.1 Å²	133.1	50%	0.498	65%	0.645	S	S	.	*	H	α-helix	trans	-73	-35.9	176.9	-67.7	-70.9	-85.8	0	0	111.4	Q713 K714 L715 R720 N721	Q713-M717 HydrophobicContact CG-CG 4.46Å; Q713-M717 WeakPolarHBondContact O-CB 3.41Å; Q713-M717 WeakPolarHBondContact O-CG 3.41Å; Q713-M717 PolarHBondContact O-N 3.29Å; K714-M717 PolarHBondContact O-N 2.97Å; L715-M717 PolarHBondContact O-N 2.96Å; M717-R720 PolarHBondContact O-N 3.42Å; M717-N721 VanDerWaalsContact O-CB 3.32Å; M717-N721 WeakPolarHBondContact O-CB 3.22Å; M717-N721 VanDerWaalsContact O-CG 3.24Å; M717-N721 PolarHBondContact O-N 3.21Å; M717-N721 PolarHBondContact O-OD1 3.33Å
718	S	63.4	Low	57.2	Low	83 Å²	83	131.2 Å²	131.2	58%	0.58	65%	0.646	S	S	*	*	H	α-helix	trans	-61	-43.9	169.9	-178.4	0	0	0	0	111.6	K714 L715	K714-S718 WeakPolarHBondContact O-CB 3.14Å; K714-S718 PolarHBondContact O-N 2.63Å; L715-S718 WeakPolarHBondContact O-CB 3.4Å; L715-S718 PolarHBondContact O-N 3.32Å
719	I	56.7	Low	56	Low	102 Å²	102	132.9 Å²	132.9	52%	0.523	65%	0.652	S	S	.	*	H	α-helix	trans	-67.7	-39.3	174.2	-66.8	162.8	0	0	0	111.3	L715 R716 R722	L715-I719 WeakPolarHBondContact O-CB 3.3Å; L715-I719 WeakPolarHBondContact O-CD1 3.08Å; L715-I719 VanDerWaalsContact O-CG1 3.25Å; L715-I719 WeakPolarHBondContact O-CG1 3.12Å; L715-I719 PolarHBondContact O-N 2.83Å; R716-I719 PolarHBondContact O-N 3.2Å; I719-R722 PolarHBondContact O-N 2.93Å
720	R	52.5	Low	54.5	Low	187 Å²	187	133.6 Å²	133.6	71%	0.706	66%	0.657	S	S	*	*	H	α-helix	trans	-74.2	-29.4	-178.7	-157.4	173.1	-158.8	171.5	5.1	112.8	R716 M717 R722 H723	R716-R720 WeakPolarHBondContact O-CB 3.29Å; R716-R720 PolarHBondContact O-N 2.8Å; M717-R720 PolarHBondContact O-N 3.42Å; R720-R722 PolarHBondContact O-N 3.26Å; R720-R722 VanDerWaalsContact O-N 3.15Å; R720-H723 PolarHBondContact O-N 3.43Å
721	N	52.4	Low	52.8	Low	139 Å²	139	135.3 Å²	135.3	74%	0.743	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-2.9	170.6	-74.9	3.7	0	0	0	113.3	M717	M717-N721 VanDerWaalsContact O-CB 3.32Å; M717-N721 WeakPolarHBondContact O-CB 3.22Å; M717-N721 VanDerWaalsContact O-CG 3.24Å; M717-N721 PolarHBondContact O-N 3.21Å; M717-N721 PolarHBondContact O-OD1 3.33Å
722	R	50	Low	51.2	Low	211 Å²	211	134.4 Å²	134.4	80%	0.796	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	1.2	163.8	-78.8	-175.8	164.7	-176	-4.8	114.3	I719 R720	I719-R722 PolarHBondContact O-N 2.93Å; R720-R722 PolarHBondContact O-N 3.26Å; R720-R722 VanDerWaalsContact O-N 3.15Å
723	H	44.3	Very low	49.3	Very low	144 Å²	144	134.3 Å²	134.3	67%	0.667	69%	0.686	S	S	*	*	S	Bend	trans	-131.2	78	-179.1	-70.2	-67.7	0	0	0	113.4	R720	R720-H723 PolarHBondContact O-N 3.43Å
724	H	38.2	Very low	47.8	Very low	160 Å²	160	138.4 Å²	138.4	74%	0.741	70%	0.702	S	S	*	*			trans	34.7	118.3	146.6	-67.1	-90.7	0	0	0	122.6
725	L	36.9	Very low	45.9	Very low	140 Å²	140	140.3 Å²	140.3	73%	0.733	71%	0.713	S	S	*	*			trans	56.3	140	135.8	-75	94	0	0	0	123.4
726	T	37.4	Very low	44.3	Very low	134 Å²	134	143.7 Å²	143.7	82%	0.822	73%	0.726	S	S	*	*			trans	67.2	146.3	151.3	47.2	0	0	0	0	119.7
727	S	34.7	Very low	42.8	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	72%	0.723	S	S	*	*			cis	-162.6	169.3	-11.6	-168.7	0	0	0	0	112.1
728	S	36.5	Very low	41.2	Very low	92 Å²	92	144.1 Å²	144.1	64%	0.643	74%	0.742	S	S	*	*			trans	-16.3	161.7	161.8	-85.9	0	0	0	0	121.3
729	Q	40.3	Very low	39.5	Very low	160 Å²	160	148.6 Å²	148.6	75%	0.748	75%	0.754	S	S	*	*			cis	178.7	177.8	-10.5	-114.6	-172.4	84.2	0	0	108.5
730	N	39	Very low	38.1	Very low	127 Å²	127	148.7 Å²	148.7	68%	0.679	77%	0.769	S	S	*	*			cis	-167.7	-168.8	-16.7	-159.7	-13.9	0	0	0	109.4
731	V	38	Very low	37	Very low	126 Å²	126	145.2 Å²	145.2	76%	0.764	77%	0.774	S	S	*	*			trans	86.6	128.8	160.3	-164.1	0	0	0	0	120
732	P	39.8	Very low	36.2	Very low	113 Å²	113	144 Å²	144	73%	0.734	77%	0.774	S	S	*	*			trans	-131.5	-162.8	173.4	39.9	-21.8	0	0	0	116.1
733	V	35.5	Very low	35.3	Very low	134 Å²	134	140.8 Å²	140.8	81%	0.812	77%	0.768	S	S	*	*			trans	103	110.5	161.5	-173	0	0	0	0	119.5
734	K	38.7	Very low	34.8	Very low	208 Å²	208	142 Å²	142	90%	0.904	77%	0.771	S	S	*	*				-170.2	154.3	123.7	-114.7	-176.4	179.1	-177.4	0	112.7
735	E	34.1	Very low	34.4	Very low	181 Å²	181	142.1 Å²	142.1	85%	0.846	77%	0.772	S	S	*	*			trans	-110.1	150.4	178.5	-59.7	171.8	103.2	0	0	112
736	Q	36.4	Very low	34.3	Very low	186 Å²	186	145 Å²	145	87%	0.869	77%	0.773	S	S	*	*			trans	-173.8	103.9	130.3	-104.9	171	0.3	0	0	114.1
737	S	32.9	Very low	33.9	Very low	88 Å²	88	145 Å²	145	62%	0.615	77%	0.768	S	S	*	*			trans	40	126.2	134	63	0	0	0	0	123.9
738	F	27.6	Very low	33.8	Very low	203 Å²	203	146.9 Å²	146.9	89%	0.89	77%	0.769	S	S	*	*			trans	60.8	138.5	153.2	-61.7	-64.2	0	0	0	118
739	Q	27	Very low	33.4	Very low	177 Å²	177	152.6 Å²	152.6	83%	0.827	78%	0.778	S	S	*	*			cis	-158.8	152.3	15.4	-160.9	172.3	2.9	0	0	111
740	A	27.6	Very low	33	Very low	103 Å²	103	153.6 Å²	153.6	85%	0.851	78%	0.782	S	S	*	*			trans	65.2	134.3	171.7	0	0	0	0	0	118.2
741	S	29.7	Very low	32.7	Very low	114 Å²	114	156 Å²	156	80%	0.797	79%	0.79	S	S	*	*			trans	-170.1	153.4	-171.9	176.2	0	0	0	0	110.3
742	P	36.1	Very low	32.4	Very low	115 Å²	115	158.8 Å²	158.8	75%	0.747	79%	0.794	S	S	*	*			cis	-127.7	174.6	-17.1	32.1	-14	0	0	0	115.2
743	E	31.5	Very low	32.1	Very low	143 Å²	143	158.9 Å²	158.9	67%	0.668	80%	0.795	S	S	*	*			trans	-49.7	142.4	158.5	-64.5	-172	102.1	0	0	114.8
744	K	32.3	Very low	31.9	Very low	168 Å²	168	156.1 Å²	156.1	73%	0.73	79%	0.786	S	S	*	*				68.1	151.5	98.6	-54	173.1	-172.6	159	0	117.5
745	Q	30.5	Very low	31.6	Very low	163 Å²	163	151.4 Å²	151.4	76%	0.762	78%	0.779	S	S	*	*			trans	84	136.9	172.6	-51.3	-170.4	31.9	0	0	115.7
746	R	34.9	Very low	31.2	Very low	200 Å²	200	149.5 Å²	149.5	76%	0.755	78%	0.78	S	S	*	*			cis	-162.6	145.2	-16.6	-119.1	173.1	173.8	152.8	-6.3	108
747	D	29.1	Very low	30.9	Very low	134 Å²	134	146.5 Å²	146.5	72%	0.717	78%	0.778	S	S	*	*			trans	10.4	133.3	153.6	-41	-45.8	0	0	0	120.4
748	L	31.3	Very low	30.6	Very low	150 Å²	150	151.5 Å²	151.5	79%	0.785	79%	0.791	S	S	*	*				176.9	112	116.9	-89.4	162.7	0	0	0	111.7
749	Y	30	Very low	30.8	Very low	212 Å²	212	151.2 Å²	151.2	83%	0.831	79%	0.793	S	S	*	*			trans	39.8	118.7	161.5	-58.7	-80.1	0	0	0	121.6
750	Q	31.8	Very low	31	Very low	181 Å²	181	151 Å²	151	85%	0.846	79%	0.792	S	S	*	*				-160.7	179.3	87.8	-137.9	164.8	0.6	0	0	111.4
751	E	32.2	Very low	31	Very low	178 Å²	178	153.3 Å²	153.3	83%	0.832	80%	0.795	S	S	*	*			trans	-89	155.9	-151.6	-67.9	154	111.1	0	0	117.5
752	Q	30.5	Very low	30.8	Very low	183 Å²	183	153.9 Å²	153.9	86%	0.855	79%	0.789	S	S	*	*			trans	-109.4	179.9	170.1	-110.6	-167.1	27	0	0	109.4
753	P	35.4	Very low	30.6	Very low	116 Å²	116	156.5 Å²	156.5	75%	0.753	80%	0.795	S	S	*	*			cis	-126.9	-156.1	20.5	36.6	-12.6	0	0	0	111.7
754	A	31	Very low	30.3	Very low	75 Å²	75	160.7 Å²	160.7	62%	0.62	81%	0.805	S	S	*	*			cis	-156.6	166.1	10.7	0	0	0	0	0	114.4
755	S	30.7	Very low	30.1	Very low	110 Å²	110	163.6 Å²	163.6	77%	0.769	81%	0.811	S	S	*	*			trans	33.2	100.2	151.9	62.7	0	0	0	0	119.9
756	V	27.1	Very low	29.9	Very low	141 Å²	141	161.9 Å²	161.9	86%	0.855	81%	0.812	S	S	*	*			trans	-111.9	128.6	146	173.7	0	0	0	0	107.2
757	C	30	Very low	29.4	Very low	123 Å²	123	161.5 Å²	161.5	83%	0.831	82%	0.816	S	S	*	*			trans	-91.5	133.5	172	-68.4	0	0	0	0	110.2
758	Q	26.7	Very low	29.3	Very low	192 Å²	192	161.1 Å²	161.1	90%	0.897	82%	0.819	S	S	*	*			trans	-86.6	145.1	167.1	-63.4	170.7	-59.2	0	0	109
759	E	31.5	Very low	29	Very low	197 Å²	197	160.5 Å²	160.5	92%	0.921	82%	0.815	S	S	*	*			trans	-140.3	142.5	160.7	-159.1	164.1	-136.2	0	0	108.2
760	E	30.4	Very low	28.9	Very low	172 Å²	172	158.7 Å²	158.7	80%	0.804	81%	0.814	S	S	*	*			trans	-93.2	136.3	-152.9	-59.8	-178.9	110.4	0	0	114.6
761	V	27.7	Very low	28.7	Very low	152 Å²	152	155.9 Å²	155.9	92%	0.921	81%	0.811	S	S	*	*			trans	-91.8	100.6	169	179.9	0	0	0	0	109.3
762	N	27	Very low	28.7	Very low	126 Å²	126	153 Å²	153	67%	0.674	81%	0.811	S	S	*	*			trans	-146.8	64.8	-173.8	-150.7	-5.9	0	0	0	115.2
763	I	30.9	Very low	28.7	Very low	171 Å²	171	156.4 Å²	156.4	88%	0.877	82%	0.816	S	S	*	*			trans	-126.1	100.7	166.3	-56.1	-178.5	0	0	0	110.7
764	R	24.9	Very low	28.5	Very low	230 Å²	230	154.7 Å²	154.7	87%	0.868	82%	0.819	S	S	*	*			trans	-87.6	129	159.1	-71.1	176.1	167.9	-170.3	-2.6	109.3
765	R	28.3	Very low	28.4	Very low	229 Å²	229	158.9 Å²	158.9	86%	0.864	83%	0.83	S	S	*	*			trans	-176.2	117.6	135.7	-104	156.5	-172.7	-174.9	1.9	114.6
766	T	26.8	Very low	28.5	Very low	127 Å²	127	159.2 Å²	159.2	78%	0.779	83%	0.83	S	S	*	*			trans	43.4	107	140.8	52.9	0	0	0	0	120
767	F	24.2	Very low	28.7	Very low	192 Å²	192	158 Å²	158	84%	0.842	82%	0.823	S	S	*	*			trans	-80	150.9	152.6	-72.8	-99.2	0	0	0	111.1
768	T	26.2	Very low	28.7	Very low	126 Å²	126	156.2 Å²	156.2	77%	0.773	81%	0.812	S	S	*	*			trans	-127	126.4	157	-53.3	0	0	0	0	107.9
769	I	25.8	Very low	28.7	Very low	137 Å²	137	157.9 Å²	157.9	70%	0.703	81%	0.811	S	S	*	*			trans	-119.6	131.1	-177.1	-58.9	173.7	0	0	0	108.5
770	H	27.8	Very low	28.6	Very low	174 Å²	174	153.3 Å²	153.3	81%	0.806	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-101.1	129.8	166.3	-76	-70.6	0	0	0	110.1
771	P	28.4	Very low	28.5	Very low	122 Å²	122	155.6 Å²	155.6	79%	0.792	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-89.8	163.6	-168.7	35.3	-37.2	0	0	0	114.8
772	S	31.1	Very low	28.6	Very low	117 Å²	117	153.5 Å²	153.5	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-87.6	149.9	-171.9	53.7	0	0	0	0	116.1
773	R	31.4	Very low	28.8	Very low	256 Å²	256	156 Å²	156	97%	0.966	79%	0.791	S	S	*	*			trans	-142.6	142.2	156.6	-67	-177.9	175.3	-174.4	-1.5	108
774	G	29.8	Very low	28.6	Very low	80 Å²	80	154.3 Å²	154.3	83%	0.825	79%	0.788	S	S	*	*			cis	-167.3	169.8	-3.1	0	0	0	0	0	113.1
775	L	29.8	Very low	29.1	Very low	162 Å²	162	149.4 Å²	149.4	85%	0.848	79%	0.786	S	S	*	*			trans	-80.4	177.3	178.2	-81.9	165.6	0	0	0	111.6
776	P	33.4	Very low	29.2	Very low	117 Å²	117	142.1 Å²	142.1	76%	0.76	78%	0.783	S	S	*	*			cis	-149.4	-166.5	31	44.6	-21.7	0	0	0	119.5
777	T	30.6	Very low	29.1	Very low	117 Å²	117	147.8 Å²	147.8	72%	0.718	79%	0.792	S	S	*	*			trans	-79	-170.1	-175.6	48	0	0	0	0	113.4
778	S	29.8	Very low	29.4	Very low	84 Å²	84	142.4 Å²	142.4	59%	0.587	79%	0.79	S	S	*	*			cis	-177.9	158.5	42.8	-31.6	0	0	0	0	116.4
779	Y	26.4	Very low	29.5	Very low	227 Å²	227	143.4 Å²	143.4	89%	0.89	79%	0.789	S	S	*	*			trans	63.2	160.6	158.7	-65.6	-67	0	0	0	117.6
780	S	30.9	Very low	29.7	Very low	101 Å²	101	145.2 Å²	145.2	71%	0.706	80%	0.795	S	S	*	*			cis	-151.6	178.7	21.1	-159.5	0	0	0	0	115.1
781	R	28.2	Very low	29.7	Very low	221 Å²	221	141.8 Å²	141.8	83%	0.834	80%	0.796	S	S	*	*			trans	-28.3	162.4	167.7	-72	177.1	175.9	151.8	-2.5	118
782	D	29.4	Very low	29.7	Very low	108 Å²	108	139.4 Å²	139.4	58%	0.578	79%	0.794	S	S	*	*			cis	-163.8	163.8	26.4	-136.5	8.1	0	0	0	114.6
783	K	30.6	Very low	29.7	Very low	179 Å²	179	146.2 Å²	146.2	78%	0.778	80%	0.802	S	S	*	*			trans	65.2	116.4	151.8	-69.8	160	-178.1	131.6	0	123.4
784	T	26.5	Very low	29.6	Very low	134 Å²	134	140.4 Å²	140.4	82%	0.822	80%	0.795	S	S	*	*			trans	-89.9	-172.2	150.7	48.6	0	0	0	0	111.4
785	P	36.4	Very low	29.7	Very low	127 Å²	127	143.3 Å²	143.3	83%	0.825	80%	0.797	S	S	*	*			cis	-125	178.3	-48.9	35.2	-19.1	0	0	0	112.4
786	G	29.6	Very low	29.8	Very low	77 Å²	77	146.8 Å²	146.8	79%	0.794	80%	0.798	S	S	*	*			trans	-170	146.3	171.2	0	0	0	0	0	116.8
787	Y	24.9	Very low	29.4	Very low	245 Å²	245	146.8 Å²	146.8	96%	0.961	80%	0.801	S	S	*	*			trans	-83.5	151.3	170	-86.7	-120.6	0	0	0	110.9
788	G	29.8	Very low	29.6	Very low	79 Å²	79	147 Å²	147	81%	0.814	81%	0.805	S	S	*	*			trans	-172.6	108.6	171.3	0	0	0	0	0	114.2
789	I	28.4	Very low	29.7	Very low	147 Å²	147	149 Å²	149	75%	0.754	82%	0.816	S	S	*	*			trans	-92.5	136.6	174.3	-55.7	168.1	0	0	0	108.7
790	H	29.8	Very low	29.9	Very low	175 Å²	175	147.3 Å²	147.3	81%	0.81	82%	0.816	S	S	*	*				160.7	144	128.3	-87.5	-66	0	0	0	114.5
791	A	28.6	Very low	30	Very low	102 Å²	102	148.9 Å²	148.9	84%	0.843	82%	0.816	S	S	*	*			trans	44.1	137.9	151.7	0	0	0	0	0	121.5
792	G	28.6	Very low	30.1	Very low	73 Å²	73	146.7 Å²	146.7	75%	0.753	81%	0.813	S	S	*	*			cis	130.6	149.7	-5.1	0	0	0	0	0	113.8
793	R	31.1	Very low	30.2	Very low	259 Å²	259	149.8 Å²	149.8	98%	0.977	82%	0.824	S	S	*	*			trans	-159.5	133.1	156.6	-113.8	173.2	-169.5	-156.3	1.1	111.8
794	T	29.5	Very low	30.4	Very low	134 Å²	134	150.4 Å²	150.4	82%	0.822	83%	0.827	S	S	*	*			trans	-97.7	147.1	-175.1	43.5	0	0	0	0	112.5
795	V	31.5	Very low	30.8	Very low	141 Å²	141	151.6 Å²	151.6	86%	0.855	83%	0.828	S	S	*	*			trans	-141.4	103.2	142.2	-175.4	0	0	0	0	110.7
796	R	31.3	Very low	31	Very low	235 Å²	235	150.8 Å²	150.8	89%	0.887	82%	0.817	S	S	*	*			trans	30.3	127.4	149.6	-62.9	-179.2	172.5	-176.3	-3.8	121.5
797	S	26.1	Very low	31.3	Very low	117 Å²	117	152.8 Å²	152.8	82%	0.818	81%	0.805	S	S	*	*			trans	-112.9	147.3	148.4	-47.5	0	0	0	0	109.9
798	P	35	Very low	31.7	Very low	122 Å²	122	147.8 Å²	147.8	79%	0.792	79%	0.794	S	S	*	*			trans	-83.6	162.8	158.2	-11.3	29.8	0	0	0	111.9
799	P	31.7	Very low	32	Very low	127 Å²	127	151.6 Å²	151.6	83%	0.825	79%	0.789	S	S	*	*			trans	-95.9	-176.6	-160.9	38.9	-38.5	0	0	0	115.9
800	E	30	Very low	32.5	Very low	190 Å²	190	150.1 Å²	150.1	89%	0.888	78%	0.779	S	S	*	*			trans	-62.5	145.6	-179.6	-50.3	167.9	126.7	0	0	114.2
801	D	32.8	Very low	32.7	Very low	134 Å²	134	148.6 Å²	148.6	72%	0.717	78%	0.776	S	S	*	*			trans	-151	162.3	138.2	-138.2	-29.3	0	0	0	112.6
802	K	29.8	Very low	32.9	Very low	175 Å²	175	151 Å²	151	76%	0.761	77%	0.773	S	S	*	*			trans	-87.3	134.5	-161.8	-37.1	104.5	-162.8	140.4	0	113.4
803	Q	33.1	Very low	33.3	Very low	173 Å²	173	152.6 Å²	152.6	81%	0.808	77%	0.769	S	S	*	*			trans	-171	-4.5	151.9	-116.3	169.6	22.2	0	0	119.7	D805	Q803-D805 PolarHBondContact O-N 3.31Å; Q803-D805 VanDerWaalsContact O-N 3.15Å
804	K	33.1	Very low	33.3	Very low	193 Å²	193	144.6 Å²	144.6	84%	0.839	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-1.7	-158.9	-86.2	-177.2	176	175.1	0	119.6	N806	K804-N806 PolarHBondContact O-N 3.04Å
805	D	36.5	Very low	33.2	Very low	158 Å²	158	144.9 Å²	144.9	85%	0.845	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-12.6	-180	-84.6	-29	0	0	0	115.4	Q803	Q803-D805 PolarHBondContact O-N 3.31Å; Q803-D805 VanDerWaalsContact O-N 3.15Å
806	N	39.4	Very low	33.1	Very low	110 Å²	110	147 Å²	147	59%	0.588	75%	0.752	S	S	*	*	S	Bend	trans	-86.8	-32.7	-174.9	-80	-24.8	0	0	0	115.2	K804 L808 K809	K804-N806 PolarHBondContact O-N 3.04Å; N806-L808 VanDerWaalsContact C-N 3.25Å; N806-L808 PolarHBondContact O-N 2.76Å; N806-L808 VanDerWaalsContact O-N 3.16Å; N806-K809 PolarHBondContact O-N 2.82Å
807	H	37.3	Very low	33.1	Very low	120 Å²	120	143.7 Å²	143.7	56%	0.556	75%	0.75	S	S	*	*	H	α-helix	trans	-66.3	-22.4	-172.2	-76.4	-41.4	0	0	0	114.6	K809 E810 L811	H807-K809 PolarHBondContact O-N 3.31Å; H807-E810 IonicContact CE1-OE2 2.65Å; H807-E810 IonicContact ND1-OE2 3.63Å; H807-E810 PolarHBondContact ND1-OE2 2.76Å; H807-L811 PolarHBondContact O-N 2.99Å
808	L	32.1	Very low	33.3	Very low	139 Å²	139	143.7 Å²	143.7	73%	0.728	75%	0.747	S	S	*	*	H	α-helix	trans	-72.4	-15.3	175.6	-142.4	78.4	0	0	0	113.1	N806 L812	N806-L808 VanDerWaalsContact C-N 3.25Å; N806-L808 PolarHBondContact O-N 2.76Å; N806-L808 VanDerWaalsContact O-N 3.16Å; L808-L812 WeakPolarHBondContact O-CD1 3.42Å
809	K	36.7	Very low	33	Very low	160 Å²	160	145.8 Å²	145.8	70%	0.696	75%	0.752	S	S	*	*	H	α-helix	trans	-86.1	-44.3	172.3	-83.2	176.1	174.1	170.2	0	112.4	N806 H807 L811 L812 T813	N806-K809 PolarHBondContact O-N 2.82Å; H807-K809 PolarHBondContact O-N 3.31Å; K809-L811 VanDerWaalsContact C-N 3.34Å; K809-L811 PolarHBondContact O-N 2.83Å; K809-L812 PolarHBondContact O-N 3.34Å; K809-L812 VanDerWaalsContact O-N 3.1Å; K809-T813 PolarHBondContact O-OG1 2.87Å
810	E	38.8	Very low	33.2	Very low	116 Å²	116	149.3 Å²	149.3	54%	0.542	75%	0.754	S	S	.	*	H	α-helix	trans	-62.3	-39.7	-179.6	-68.2	-178.6	117.3	0	0	112.8	H807 L812 T813 S814	H807-E810 IonicContact CE1-OE2 2.65Å; H807-E810 IonicContact ND1-OE2 3.63Å; H807-E810 PolarHBondContact ND1-OE2 2.76Å; E810-L812 PolarHBondContact O-N 2.77Å; E810-L812 VanDerWaalsContact O-N 3.14Å; E810-T813 PolarHBondContact O-N 3.2Å; E810-T813 PolarHBondContact O-OG1 3.09Å; E810-T813 VanDerWaalsContact O-OG1 3.1Å; E810-S814 PolarHBondContact O-N 3.25Å
811	L	34.4	Very low	33.2	Very low	143 Å²	143	151.7 Å²	151.7	75%	0.749	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-14.8	176.5	-81.6	165.7	0	0	0	113.8	H807 K809	H807-L811 PolarHBondContact O-N 2.99Å; K809-L811 VanDerWaalsContact C-N 3.34Å; K809-L811 PolarHBondContact O-N 2.83Å
812	L	32.5	Very low	33.2	Very low	151 Å²	151	153.6 Å²	153.6	79%	0.791	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-0.7	175.6	-66.1	174.9	0	0	0	113.4	L808 K809 E810	L808-L812 WeakPolarHBondContact O-CD1 3.42Å; K809-L812 PolarHBondContact O-N 3.34Å; K809-L812 VanDerWaalsContact O-N 3.1Å; E810-L812 PolarHBondContact O-N 2.77Å; E810-L812 VanDerWaalsContact O-N 3.14Å
813	T	37.5	Very low	33.2	Very low	107 Å²	107	149.1 Å²	149.1	66%	0.656	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	-13.3	-177.5	51.5	0	0	0	0	115.2	K809 E810 T815	K809-T813 PolarHBondContact O-OG1 2.87Å; E810-T813 PolarHBondContact O-N 3.2Å; E810-T813 PolarHBondContact O-OG1 3.09Å; E810-T813 VanDerWaalsContact O-OG1 3.1Å; T813-T815 PolarHBondContact O-N 3.31Å
814	S	30.2	Very low	33	Very low	92 Å²	92	149 Å²	149	64%	0.643	76%	0.755	S	S	*	*			trans	-86.9	83	-177	-166.1	0	0	0	0	113.7	E810 K816	E810-S814 PolarHBondContact O-N 3.25Å; S814-K816 VanDerWaalsContact C-N 3.27Å; S814-K816 PolarHBondContact O-N 3.13Å
815	T	27.3	Very low	33	Very low	139 Å²	139	146.3 Å²	146.3	85%	0.853	75%	0.75	S	S	*	*			trans	-82.1	64.7	172.7	58	0	0	0	0	112.2	T813	T813-T815 PolarHBondContact O-N 3.31Å
816	K	30.4	Very low	32.8	Very low	185 Å²	185	147.4 Å²	147.4	80%	0.804	75%	0.749	S	S	*	*			trans	-161.6	117.4	169.7	-105.8	161.8	-172.8	177.2	0	111	S814	S814-K816 VanDerWaalsContact C-N 3.27Å; S814-K816 PolarHBondContact O-N 3.13Å
817	I	29.7	Very low	32.3	Very low	167 Å²	167	150.1 Å²	150.1	86%	0.856	76%	0.758	S	S	*	*			trans	-118.4	127.2	160.7	-61.8	179.7	0	0	0	106.6
818	P	31.6	Very low	32	Very low	117 Å²	117	151.7 Å²	151.7	76%	0.76	77%	0.771	S	S	*	*			trans	-81.8	141.4	-175.7	-10.4	27.6	0	0	0	113.2	K820	P818-K820 PolarHBondContact O-N 2.95Å
819	D	28.2	Very low	31.9	Very low	165 Å²	165	151.2 Å²	151.2	88%	0.882	77%	0.767	S	S	*	*			trans	-66.8	123.7	161.1	-95.5	-48.9	0	0	0	110.8
820	K	35.5	Very low	31.5	Very low	202 Å²	202	153.9 Å²	153.9	88%	0.878	77%	0.773	S	S	*	*			trans	-139.4	121.6	149.7	-87.7	-164.7	173.2	-179.1	0	111	P818	P818-K820 PolarHBondContact O-N 2.95Å
821	R	30.8	Very low	31.1	Very low	239 Å²	239	154.5 Å²	154.5	90%	0.902	78%	0.78	S	S	*	*			trans	-67.1	153.2	165.7	-53.8	173.7	-177.5	-179.7	-0.6	109.7
822	L	32.6	Very low	30.8	Very low	174 Å²	174	153.4 Å²	153.4	91%	0.911	78%	0.784	S	S	*	*			trans	-163	160	130.8	-105.1	162.9	0	0	0	109.5
823	S	30.8	Very low	30.8	Very low	82 Å²	82	151.4 Å²	151.4	57%	0.573	78%	0.781	S	S	*	*			trans	-135.4	161.8	-166	50.9	0	0	0	0	111.7
824	Q	28.6	Very low	30.2	Very low	170 Å²	170	154.3 Å²	154.3	79%	0.794	79%	0.787	S	S	*	*			trans	68.1	143.5	178.1	-59.4	145.6	-93.7	0	0	112.1
825	D	33.4	Very low	30	Very low	137 Å²	137	158 Å²	158	73%	0.733	79%	0.794	S	S	*	*				-155.5	154.8	62.7	-85.5	-37.3	0	0	0	115.3
826	H	32	Very low	30	Very low	181 Å²	181	156.1 Å²	156.1	84%	0.838	79%	0.792	S	S	*	*			trans	57.1	145.6	149.8	-80	-86.9	0	0	0	124.7
827	E	27.6	Very low	29.8	Very low	166 Å²	166	157.3 Å²	157.3	78%	0.776	79%	0.792	S	S	*	*			trans	-104.6	153.3	172	-54.9	179.3	121.8	0	0	110.8
828	D	32.1	Very low	29.5	Very low	153 Å²	153	153.6 Å²	153.6	82%	0.818	78%	0.777	S	S	*	*			trans	-159.9	108.6	152.9	-92.1	-42.9	0	0	0	104.6
829	I	29.5	Very low	29.2	Very low	129 Å²	129	152.6 Å²	152.6	66%	0.662	77%	0.773	S	S	*	*				57	99.4	67.1	-42.2	172.8	0	0	0	112.7
830	R	28.9	Very low	29.1	Very low	217 Å²	217	154.8 Å²	154.8	82%	0.819	77%	0.77	S	S	*	*				173.7	137.6	117.3	-92.1	-174.3	-171.7	-157.8	-0.2	115.1
831	D	29	Very low	28.7	Very low	128 Å²	128	150.5 Å²	150.5	68%	0.684	76%	0.761	S	S	*	*			trans	54.6	101.1	136.3	-45.3	-19.7	0	0	0	122.2
832	S	28.9	Very low	28.5	Very low	120 Å²	120	144.4 Å²	144.4	84%	0.839	75%	0.746	S	S	*	*				-165.8	143	113.9	-84	0	0	0	0	111.5
833	P	32.3	Very low	28.4	Very low	110 Å²	110	140.4 Å²	140.4	71%	0.714	75%	0.747	S	S	*	*			trans	-96.6	-171.1	-175.3	40.9	-38.1	0	0	0	113.4
834	E	25.7	Very low	28.3	Very low	167 Å²	167	143.8 Å²	143.8	78%	0.78	75%	0.752	S	S	*	*			trans	61.9	100.5	162.4	-65.7	176.2	-161.2	0	0	118.3
835	H	25.9	Very low	28.2	Very low	171 Å²	171	143.1 Å²	143.1	79%	0.792	75%	0.753	S	S	*	*				-171.4	116	120.1	-102.8	56.4	0	0	0	109.3	W837	H835-W837 AromaticContact CD2-CD1 3.87Å; H835-W837 AromaticContact CD2-NE1 3.95Å
836	A	26.7	Very low	27.9	Very low	99 Å²	99	143.7 Å²	143.7	82%	0.818	76%	0.755	S	S	*	*			trans	-106.2	84.7	-173.9	0	0	0	0	0	111.8
837	W	26	Very low	27.6	Very low	209 Å²	209	141 Å²	141	79%	0.792	75%	0.753	S	S	*	*			trans	-125	107.9	-172.5	-76.6	82.2	0	0	0	115.1	H835	H835-W837 AromaticContact CD2-CD1 3.87Å; H835-W837 AromaticContact CD2-NE1 3.95Å
838	V	24.4	Very low	27.5	Very low	90 Å²	90	139.8 Å²	139.8	55%	0.545	76%	0.757	S	S	.	*			trans	61.9	108.8	143.6	-172.2	0	0	0	0	118.7	Y840	V838-Y840 HydrophobicContact CB-CE2 4.29Å; V838-Y840 HydrophobicContact CG1-CD2 3.8Å; V838-Y840 HydrophobicContact CG1-CE2 3.7Å; V838-Y840 HydrophobicContact CG1-CG 4.42Å; V838-Y840 PolarHBondContact O-N 3.14Å
839	S	23.7	Very low	27.2	Very low	96 Å²	96	138.3 Å²	138.3	67%	0.671	75%	0.754	S	S	*	*			trans	-71.7	115.8	154.2	51.8	0	0	0	0	110.6	T841	S839-T841 PolarHBondContact O-N 2.91Å
840	Y	26.3	Very low	27.1	Very low	210 Å²	210	139.2 Å²	139.2	82%	0.824	76%	0.759	S	S	*	*			trans	-77.1	72.8	172.1	-86.7	-90.7	0	0	0	111.8	V838	V838-Y840 HydrophobicContact CB-CE2 4.29Å; V838-Y840 HydrophobicContact CG1-CD2 3.8Å; V838-Y840 HydrophobicContact CG1-CE2 3.7Å; V838-Y840 HydrophobicContact CG1-CG 4.42Å; V838-Y840 PolarHBondContact O-N 3.14Å
841	T	27.5	Very low	26.9	Very low	112 Å²	112	140.3 Å²	140.3	69%	0.687	76%	0.763	S	S	*	*			trans	-96.5	79.5	165.2	50.2	0	0	0	0	109.8	S839	S839-T841 PolarHBondContact O-N 2.91Å
842	D	26.5	Very low	27	Very low	111 Å²	111	138.6 Å²	138.6	59%	0.594	76%	0.758	S	S	*	*			trans	-177.8	125	150.3	-106.3	-5.9	0	0	0	111.2	K844	D842-K844 HydrophobicContact CB-CD 4.2Å; D842-K844 HydrophobicContact CB-CG 4.43Å; D842-K844 PolarHBondContact O-N 3.25Å; D842-K844 VanDerWaalsContact O-N 3.12Å; D842-K844 VanDerWaalsContact OD2-CE 3.3Å; D842-K844 WeakPolarHBondContact OD2-CE 3.43Å; D842-K844 IonicContact OD2-NZ 3.22Å; D842-K844 PolarHBondContact OD2-NZ 2.89Å
843	G	31.3	Very low	27	Very low	91 Å²	91	140.9 Å²	140.9	94%	0.938	76%	0.76	S	S	*	*			trans	-84.8	72.6	178	0	0	0	0	0	112.6
844	K	27.5	Very low	27.1	Very low	153 Å²	153	140.9 Å²	140.9	67%	0.665	75%	0.753	S	S	*	*			trans	-111.8	-17.2	-174.2	-77.4	172.9	177.6	158.9	0	116.3	D842 I846	D842-K844 HydrophobicContact CB-CD 4.2Å; D842-K844 HydrophobicContact CB-CG 4.43Å; D842-K844 PolarHBondContact O-N 3.25Å; D842-K844 VanDerWaalsContact O-N 3.12Å; D842-K844 VanDerWaalsContact OD2-CE 3.3Å; D842-K844 WeakPolarHBondContact OD2-CE 3.43Å; D842-K844 IonicContact OD2-NZ 3.22Å; D842-K844 PolarHBondContact OD2-NZ 2.89Å; K844-I846 PolarHBondContact O-N 3.35Å
845	D	26.6	Very low	27.3	Very low	155 Å²	155	135.5 Å²	135.5	83%	0.829	74%	0.743	S	S	*	*			trans	-102.6	65.4	-173.5	-64.2	-43.6	0	0	0	114.1
846	I	26.9	Very low	27.8	Very low	150 Å²	150	133.8 Å²	133.8	77%	0.769	74%	0.739	S	S	*	*	S	Bend	trans	-134.2	131.3	160.5	-59.6	-177.2	0	0	0	108.5	K844 T848	K844-I846 PolarHBondContact O-N 3.35Å; I846-T848 PolarHBondContact O-N 2.83Å
847	P	26.4	Very low	28.5	Very low	123 Å²	123	137.6 Å²	137.6	80%	0.799	74%	0.74	S	S	*	*			trans	-61.2	133.6	-168.8	-27.6	36.2	0	0	0	116.4	V849	P847-V849 PolarHBondContact O-N 3.39Å
848	T	25.6	Very low	29.3	Very low	141 Å²	141	130.2 Å²	130.2	87%	0.865	72%	0.72	S	S	*	*			trans	-69.8	107.8	-176.6	-48.5	0	0	0	0	113.6	I846	I846-T848 PolarHBondContact O-N 2.83Å
849	V	25.3	Very low	30.1	Very low	122 Å²	122	128 Å²	128	74%	0.739	70%	0.704	S	S	*	*			trans	-140.1	130.6	165.4	178.5	0	0	0	0	110	P847	P847-V849 PolarHBondContact O-N 3.39Å
850	L	27.5	Very low	31.3	Very low	149 Å²	149	130.9 Å²	130.9	78%	0.78	70%	0.704	S	S	*	*			trans	65	86.8	176.1	-66	163.8	0	0	0	117.2
851	R	24.9	Very low	32.2	Very low	239 Å²	239	124.8 Å²	124.8	90%	0.902	69%	0.69	S	S	*	*			trans	-81.8	129.7	141.7	-78.1	-177.5	174.8	173.4	-2.9	108.8
852	T	32.4	Very low	33	Very low	93 Å²	93	124 Å²	124	57%	0.571	68%	0.682	S	S	*	*			trans	-154.2	119.2	159.9	36	0	0	0	0	108.5	I854	T852-I854 PolarHBondContact O-N 3.49Å
853	D	27.7	Very low	34.1	Very low	167 Å²	167	126.6 Å²	126.6	89%	0.893	68%	0.683	S	S	*	*			trans	-77.1	109	-179.1	-56.2	-70.9	0	0	0	110.6
854	I	33.8	Very low	35.5	Very low	110 Å²	110	128.4 Å²	128.4	56%	0.564	67%	0.667	S	S	*	*			trans	-119.8	75.2	-169.7	-68.6	178.1	0	0	0	108.4	T852 S858	T852-I854 PolarHBondContact O-N 3.49Å; I854-S858 WeakPolarHBondContact CG2-OG 3.27Å
855	G	31.2	Very low	37	Very low	54 Å²	54	124.8 Å²	124.8	56%	0.557	66%	0.661	S	S	*	*			trans	-68.7	154.8	-177.9	0	0	0	0	0	113.6	Q857 S858	G855-Q857 PolarHBondContact O-N 2.81Å; G855-S858 WeakPolarHBondContact O-CB 3.32Å; G855-S858 PolarHBondContact O-N 2.79Å; G855-S858 PolarHBondContact O-OG 2.82Å
856	L	36.2	Very low	38.2	Very low	136 Å²	136	122.4 Å²	122.4	71%	0.712	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-42.3	-29.9	-167.3	-83	159.8	0	0	0	118	S858 M859	L856-S858 VanDerWaalsContact C-N 3.31Å; L856-S858 PolarHBondContact O-N 2.92Å; L856-M859 PolarHBondContact O-N 2.75Å
857	Q	41.2	Very low	39.9	Very low	179 Å²	179	121.4 Å²	121.4	84%	0.836	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-65.6	-32.9	176.8	-64	-168.8	2.9	0	0	113.1	G855 M859 K860	G855-Q857 PolarHBondContact O-N 2.81Å; Q857-M859 PolarHBondContact O-N 2.73Å; Q857-K860 PolarHBondContact O-N 3.47Å
858	S	42.5	Very low	41.9	Very low	53 Å²	53	122.3 Å²	122.3	37%	0.371	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-70	-10.2	-178.6	63.8	0	0	0	0	114.3	I854 G855 L856 K860 P861	I854-S858 WeakPolarHBondContact CG2-OG 3.27Å; G855-S858 WeakPolarHBondContact O-CB 3.32Å; G855-S858 PolarHBondContact O-N 2.79Å; G855-S858 PolarHBondContact O-OG 2.82Å; L856-S858 VanDerWaalsContact C-N 3.31Å; L856-S858 PolarHBondContact O-N 2.92Å; S858-K860 VanDerWaalsContact C-N 3.32Å; S858-K860 PolarHBondContact O-N 2.7Å; S858-P861 WeakPolarHBondContact O-CD 3.38Å
859	M	42	Very low	43.6	Very low	44 Å²	44	119.5 Å²	119.5	22%	0.217	62%	0.621	C	S	.	*	G	3₁₀ helix	trans	-77.3	-11.2	176.8	-75.6	-78.2	-96.5	0	0	114.1	L856 Q857 L862 R863	L856-M859 PolarHBondContact O-N 2.75Å; Q857-M859 PolarHBondContact O-N 2.73Å; M859-L862 PolarHBondContact O-N 2.76Å; M859-L862 HydrophobicContact SD-CD1 4.04Å; M859-R863 WeakPolarHBondContact O-CG 3.21Å; M859-R863 PolarHBondContact O-N 3.12Å
860	K	47.6	Very low	44.9	Very low	156 Å²	156	120.2 Å²	120.2	68%	0.678	61%	0.612	S	S	*	*	H	α-helix	trans	-57.5	-50.2	-179.5	-91	-177.4	175.7	178.4	0	113.7	Q857 S858 L862 R863 Q864	Q857-K860 PolarHBondContact O-N 3.47Å; S858-K860 VanDerWaalsContact C-N 3.32Å; S858-K860 PolarHBondContact O-N 2.7Å; K860-L862 VanDerWaalsContact C-N 3.33Å; K860-L862 PolarHBondContact O-N 3.45Å; K860-R863 PolarHBondContact O-N 3.01Å; K860-Q864 WeakPolarHBondContact O-CG 3.4Å; K860-Q864 PolarHBondContact O-N 3.24Å
861	P	46.5	Very low	46.7	Very low	82 Å²	82	117.3 Å²	117.3	53%	0.532	60%	0.596	S	S	.	*	H	α-helix	trans	-63.8	-35.6	178.9	-23.2	35.4	0	0	0	113.3	S858 Q864 S865	S858-P861 WeakPolarHBondContact O-CD 3.38Å; P861-Q864 PolarHBondContact O-N 3.38Å; P861-S865 WeakPolarHBondContact O-CB 3.15Å; P861-S865 PolarHBondContact O-N 3.11Å
862	L	44.6	Very low	48.5	Very low	96 Å²	96	108.2 Å²	108.2	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-65.7	-45.2	176.9	-80.4	160.6	0	0	0	111.6	M859 K860 Q864 S865 V866	M859-L862 PolarHBondContact O-N 2.76Å; M859-L862 HydrophobicContact SD-CD1 4.04Å; K860-L862 VanDerWaalsContact C-N 3.33Å; K860-L862 PolarHBondContact O-N 3.45Å; L862-Q864 VanDerWaalsContact C-N 3.32Å; L862-Q864 PolarHBondContact O-N 2.82Å; L862-S865 WeakPolarHBondContact O-CB 3.44Å; L862-S865 PolarHBondContact O-N 3.15Å; L862-V866 PolarHBondContact O-N 2.96Å
863	R	49.3	Very low	49.4	Very low	166 Å²	166	106.1 Å²	106.1	63%	0.626	56%	0.558	S	S	*	*	H	α-helix	trans	-60.8	-41.3	174.5	-68.7	178.6	-174.9	-158.4	0.4	111.7	M859 K860 Q867	M859-R863 WeakPolarHBondContact O-CG 3.21Å; M859-R863 PolarHBondContact O-N 3.12Å; K860-R863 PolarHBondContact O-N 3.01Å; R863-Q867 VanDerWaalsContact O-CB 3.32Å; R863-Q867 WeakPolarHBondContact O-CB 3.27Å; R863-Q867 PolarHBondContact O-N 3.24Å
864	Q	60.6	Low	50.8	Low	129 Å²	129	101.2 Å²	101.2	60%	0.603	53%	0.529	S	S	*	.	H	α-helix	trans	-65	-38.3	174.5	-72.6	174.6	-23.3	0	0	112.7	K860 P861 L862 Q867 K868	K860-Q864 WeakPolarHBondContact O-CG 3.4Å; K860-Q864 PolarHBondContact O-N 3.24Å; P861-Q864 PolarHBondContact O-N 3.38Å; L862-Q864 VanDerWaalsContact C-N 3.32Å; L862-Q864 PolarHBondContact O-N 2.82Å; Q864-Q867 PolarHBondContact O-N 2.82Å; Q864-K868 VanDerWaalsContact O-CB 3.31Å; Q864-K868 WeakPolarHBondContact O-CB 3.44Å; Q864-K868 PolarHBondContact O-N 2.83Å
865	S	58.8	Low	52.2	Low	76 Å²	76	102.5 Å²	102.5	53%	0.531	53%	0.533	S	S	.	.	H	α-helix	trans	-62.8	-48.9	176.4	-174.1	0	0	0	0	112	P861 L862 Q867 K868 S869	P861-S865 WeakPolarHBondContact O-CB 3.15Å; P861-S865 PolarHBondContact O-N 3.11Å; L862-S865 WeakPolarHBondContact O-CB 3.44Å; L862-S865 PolarHBondContact O-N 3.15Å; S865-Q867 PolarHBondContact O-N 3.07Å; S865-K868 PolarHBondContact O-N 3.47Å; S865-S869 WeakPolarHBondContact O-CB 3.47Å; S865-S869 PolarHBondContact O-N 3.13Å
866	V	52.3	Low	53.2	Low	106 Å²	106	108.1 Å²	108.1	64%	0.642	54%	0.537	S	S	*	.	H	α-helix	trans	-62.4	-44.3	176.7	175.8	0	0	0	0	111	L862 K868 S869 Y870	L862-V866 PolarHBondContact O-N 2.96Å; V866-K868 PolarHBondContact O-N 3.33Å; V866-S869 PolarHBondContact O-N 2.8Å; V866-Y870 PolarHBondContact O-N 3.27Å
867	Q	61.8	Low	54	Low	128 Å²	128	107.9 Å²	107.9	60%	0.598	53%	0.533	S	S	*	.	H	α-helix	trans	-64	-38.3	177.9	-169.9	174	10.9	0	0	112.3	R863 Q864 S865 L871	R863-Q867 VanDerWaalsContact O-CB 3.32Å; R863-Q867 WeakPolarHBondContact O-CB 3.27Å; R863-Q867 PolarHBondContact O-N 3.24Å; Q864-Q867 PolarHBondContact O-N 2.82Å; S865-Q867 PolarHBondContact O-N 3.07Å; Q867-L871 HydrophobicContact CG-CD1 4.47Å; Q867-L871 WeakPolarHBondContact O-CG 3.34Å; Q867-L871 PolarHBondContact O-N 3.33Å; Q867-L871 VanDerWaalsContact O-N 3.07Å
868	K	68.8	Low	54.6	Low	143 Å²	143	107.5 Å²	107.5	62%	0.622	52%	0.524	S	S	*	.	H	α-helix	trans	-65.7	-45.6	173.8	-172.5	178	-179.9	-177	0	111.5	Q864 S865 V866 Y870 L871 D872	Q864-K868 VanDerWaalsContact O-CB 3.31Å; Q864-K868 WeakPolarHBondContact O-CB 3.44Å; Q864-K868 PolarHBondContact O-N 2.83Å; S865-K868 PolarHBondContact O-N 3.47Å; V866-K868 PolarHBondContact O-N 3.33Å; K868-Y870 VanDerWaalsContact C-N 3.29Å; K868-Y870 PolarHBondContact O-N 3.24Å; K868-L871 PolarHBondContact O-N 2.7Å; K868-L871 VanDerWaalsContact O-N 3.15Å; K868-D872 WeakPolarHBondContact O-CB 3.35Å; K868-D872 PolarHBondContact O-N 2.86Å
869	S	60.7	Low	55	Low	81 Å²	81	107.9 Å²	107.9	57%	0.566	53%	0.53	S	S	*	.	H	α-helix	trans	-60.7	-37.9	177.8	-161.8	0	0	0	0	112.2	S865 V866 A873	S865-S869 WeakPolarHBondContact O-CB 3.47Å; S865-S869 PolarHBondContact O-N 3.13Å; V866-S869 PolarHBondContact O-N 2.8Å; S869-A873 WeakPolarHBondContact O-CB 3.4Å; S869-A873 PolarHBondContact O-N 2.9Å
870	Y	53.1	Low	54.9	Low	137 Å²	137	107.6 Å²	107.6	54%	0.537	54%	0.538	S	S	.	.	H	α-helix	trans	-65.8	-41.4	173.5	-175.6	-96.9	0	0	0	112.9	V866 K868 A873 Q874	V866-Y870 PolarHBondContact O-N 3.27Å; K868-Y870 VanDerWaalsContact C-N 3.29Å; K868-Y870 PolarHBondContact O-N 3.24Å; Y870-A873 PolarHBondContact O-N 3.42Å; Y870-Q874 HydrophobicContact CE1-CG 4.16Å; Y870-Q874 VanDerWaalsContact CE1-NE2 3.34Å; Y870-Q874 PolarHBondContact O-N 2.7Å; Y870-Q874 PolarHBondContact OH-NE2 3.18Å; Y870-Q874 VanDerWaalsContact OH-NE2 3.08Å
871	L	64.5	Low	54.7	Low	88 Å²	88	107.1 Å²	107.1	46%	0.461	54%	0.538	S	S	.	.	H	α-helix	trans	-66.3	-43	175.1	-75.7	165.3	0	0	0	112.1	Q867 K868 A873 Q874 Q875	Q867-L871 HydrophobicContact CG-CD1 4.47Å; Q867-L871 WeakPolarHBondContact O-CG 3.34Å; Q867-L871 PolarHBondContact O-N 3.33Å; Q867-L871 VanDerWaalsContact O-N 3.07Å; K868-L871 PolarHBondContact O-N 2.7Å; K868-L871 VanDerWaalsContact O-N 3.15Å; L871-A873 VanDerWaalsContact C-N 3.3Å; L871-A873 PolarHBondContact O-N 2.77Å; L871-Q874 PolarHBondContact O-N 3.37Å; L871-Q875 WeakPolarHBondContact O-CB 3.04Å; L871-Q875 WeakPolarHBondContact O-CG 3.41Å; L871-Q875 PolarHBondContact O-N 2.95Å
872	D	62.9	Low	54.3	Low	49 Å²	49	108.7 Å²	108.7	26%	0.262	55%	0.547	S	S	.	.	H	α-helix	trans	-57	-42.7	172.3	-101.2	67.3	0	0	0	111.3	K868 Q875 R876	K868-D872 WeakPolarHBondContact O-CB 3.35Å; K868-D872 PolarHBondContact O-N 2.86Å; D872-Q875 PolarHBondContact O-N 3.42Å; D872-R876 WeakPolarHBondContact O-CB 3.42Å; D872-R876 WeakPolarHBondContact O-CD 3.49Å; D872-R876 WeakPolarHBondContact O-CG 3.46Å; D872-R876 PolarHBondContact O-N 3.01Å; D872-R876 IonicContact OD2-CZ 2.81Å; D872-R876 IonicContact OD2-NE 2.95Å; D872-R876 IonicContact OD2-NH2 2.63Å; D872-R876 PolarHBondContact OD2-NH2 3.33Å
873	A	52.5	Low	53.9	Low	48 Å²	48	108.8 Å²	108.8	40%	0.397	56%	0.555	S	S	.	*	H	α-helix	trans	-64.8	-45.1	176.7	0	0	0	0	0	112.4	S869 Y870 L871 R876 Q877	S869-A873 WeakPolarHBondContact O-CB 3.4Å; S869-A873 PolarHBondContact O-N 2.9Å; Y870-A873 PolarHBondContact O-N 3.42Å; L871-A873 VanDerWaalsContact C-N 3.3Å; L871-A873 PolarHBondContact O-N 2.77Å; A873-R876 PolarHBondContact O-N 3Å; A873-Q877 WeakPolarHBondContact O-CG 3.29Å; A873-Q877 PolarHBondContact O-N 3.32Å
874	Q	55.5	Low	53.1	Low	64 Å²	64	105.1 Å²	105.1	30%	0.299	56%	0.555	S	S	.	*	H	α-helix	trans	-64.6	-39.9	175.2	-77.1	-163.2	-9.7	0	0	112.7	Y870 L871 Q877 R878	Y870-Q874 HydrophobicContact CE1-CG 4.16Å; Y870-Q874 VanDerWaalsContact CE1-NE2 3.34Å; Y870-Q874 PolarHBondContact O-N 2.7Å; Y870-Q874 PolarHBondContact OH-NE2 3.18Å; Y870-Q874 VanDerWaalsContact OH-NE2 3.08Å; L871-Q874 PolarHBondContact O-N 3.37Å; Q874-Q877 PolarHBondContact O-N 2.82Å; Q874-R878 WeakPolarHBondContact O-CG 3.39Å; Q874-R878 PolarHBondContact O-N 2.61Å
875	Q	63.2	Low	51.6	Low	137 Å²	137	106.5 Å²	106.5	64%	0.64	57%	0.566	S	S	*	*	H	α-helix	trans	-64.1	-41.1	176.1	-76.9	-172	-7.6	0	0	111.6	L871 D872 Q877 R878 A879	L871-Q875 WeakPolarHBondContact O-CB 3.04Å; L871-Q875 WeakPolarHBondContact O-CG 3.41Å; L871-Q875 PolarHBondContact O-N 2.95Å; D872-Q875 PolarHBondContact O-N 3.42Å; Q875-Q877 PolarHBondContact O-N 3.13Å; Q875-R878 PolarHBondContact O-N 2.69Å; Q875-A879 VanDerWaalsContact O-CB 3.28Å; Q875-A879 WeakPolarHBondContact O-CB 3.41Å; Q875-A879 PolarHBondContact O-N 3.27Å
876	R	53.7	Low	50.2	Low	173 Å²	173	110.3 Å²	110.3	65%	0.653	58%	0.575	S	S	*	*	H	α-helix	trans	-66.9	-33.9	176.4	-68.1	166.2	-159.2	-162	6.4	112.7	D872 A873 G880	D872-R876 WeakPolarHBondContact O-CB 3.42Å; D872-R876 WeakPolarHBondContact O-CD 3.49Å; D872-R876 WeakPolarHBondContact O-CG 3.46Å; D872-R876 PolarHBondContact O-N 3.01Å; D872-R876 IonicContact OD2-CZ 2.81Å; D872-R876 IonicContact OD2-NE 2.95Å; D872-R876 IonicContact OD2-NH2 2.63Å; D872-R876 PolarHBondContact OD2-NH2 3.33Å; A873-R876 PolarHBondContact O-N 3Å; R876-G880 PolarHBondContact O-N 3.05Å; R876-G880 VanDerWaalsContact O-N 3.12Å
877	Q	51.1	Low	49.2	Very low	130 Å²	130	113.3 Å²	113.3	61%	0.607	58%	0.58	S	S	*	*	H	α-helix	trans	-64.6	-52.1	170.8	-75.4	177.8	-35.4	0	0	111.3	A873 Q874 Q875 A879 G880 E881	A873-Q877 WeakPolarHBondContact O-CG 3.29Å; A873-Q877 PolarHBondContact O-N 3.32Å; Q874-Q877 PolarHBondContact O-N 2.82Å; Q875-Q877 PolarHBondContact O-N 3.13Å; Q877-A879 VanDerWaalsContact C-N 3.32Å; Q877-A879 PolarHBondContact O-N 2.9Å; Q877-G880 PolarHBondContact O-N 3.25Å; Q877-E881 PolarHBondContact O-N 2.82Å
878	R	54.6	Low	48	Very low	172 Å²	172	113.4 Å²	113.4	65%	0.649	59%	0.589	S	S	*	*	H	α-helix	trans	-61.9	-36	179.4	-70.9	-178.9	178.6	-167.8	-0.1	113.3	Q874 Q875 E881 T882	Q874-R878 WeakPolarHBondContact O-CG 3.39Å; Q874-R878 PolarHBondContact O-N 2.61Å; Q875-R878 PolarHBondContact O-N 2.69Å; R878-E881 PolarHBondContact O-N 3.2Å; R878-T882 WeakPolarHBondContact O-CG2 3.46Å; R878-T882 PolarHBondContact O-N 3.02Å; R878-T882 VanDerWaalsContact O-N 3.1Å; R878-T882 PolarHBondContact O-OG1 3.04Å
879	A	50.4	Low	46.4	Very low	61 Å²	61	115 Å²	115	50%	0.504	60%	0.596	S	S	.	*	H	α-helix	trans	-71.9	-27	175.1	0	0	0	0	0	113.2	Q875 Q877	Q875-A879 VanDerWaalsContact O-CB 3.28Å; Q875-A879 WeakPolarHBondContact O-CB 3.41Å; Q875-A879 PolarHBondContact O-N 3.27Å; Q877-A879 VanDerWaalsContact C-N 3.32Å; Q877-A879 PolarHBondContact O-N 2.9Å
880	G	41.1	Very low	45.1	Very low	38 Å²	38	119.4 Å²	119.4	39%	0.392	61%	0.607	S	S	.	*	H	α-helix	trans	-70.4	-48.2	169.7	0	0	0	0	0	111.6	R876 Q877 T882 S883	R876-G880 PolarHBondContact O-N 3.05Å; R876-G880 VanDerWaalsContact O-N 3.12Å; Q877-G880 PolarHBondContact O-N 3.25Å; G880-T882 PolarHBondContact O-N 2.74Å; G880-S883 PolarHBondContact O-N 3.35Å; G880-S883 PolarHBondContact O-OG 3.28Å
881	E	41.9	Very low	44.2	Very low	145 Å²	145	119.1 Å²	119.1	68%	0.678	62%	0.619	S	S	*	*	H	α-helix	trans	-65.6	-35.3	-176.8	-70	171.8	160.5	0	0	112.9	Q877 R878 S883	Q877-E881 PolarHBondContact O-N 2.82Å; R878-E881 PolarHBondContact O-N 3.2Å; E881-S883 VanDerWaalsContact C-N 3.25Å; E881-S883 PolarHBondContact O-N 3.19Å
882	T	39.4	Very low	42.7	Very low	116 Å²	116	119.4 Å²	119.4	71%	0.712	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-0.6	176.1	54.9	0	0	0	0	114.9	R878 G880	R878-T882 WeakPolarHBondContact O-CG2 3.46Å; R878-T882 PolarHBondContact O-N 3.02Å; R878-T882 VanDerWaalsContact O-N 3.1Å; R878-T882 PolarHBondContact O-OG1 3.04Å; G880-T882 PolarHBondContact O-N 2.74Å
883	S	36.3	Very low	41.1	Very low	97 Å²	97	122.1 Å²	122.1	68%	0.678	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	6.4	-177.7	72.9	0	0	0	0	115.3	G880 E881	G880-S883 PolarHBondContact O-N 3.35Å; G880-S883 PolarHBondContact O-OG 3.28Å; E881-S883 VanDerWaalsContact C-N 3.25Å; E881-S883 PolarHBondContact O-N 3.19Å
884	S	31.6	Very low	40.3	Very low	90 Å²	90	128.7 Å²	128.7	63%	0.629	68%	0.68	S	S	*	*	S	Bend	trans	-135.1	24.4	-166.1	63.3	0	0	0	0	116.7
885	L	28.8	Very low	39.3	Very low	158 Å²	158	132.9 Å²	132.9	83%	0.827	70%	0.704	S	S	*	*			trans	-143.1	156	165.5	-96.3	126.2	0	0	0	110.4
886	E	29.9	Very low	38.1	Very low	156 Å²	156	130.9 Å²	130.9	73%	0.729	71%	0.711	S	S	*	*			trans	66.8	147	-163.9	-54.2	-163.3	131	0	0	114.6
887	K	32.5	Very low	37.2	Very low	168 Å²	168	129.4 Å²	129.4	73%	0.73	71%	0.712	S	S	*	*			cis	-139.4	132.8	4.5	-128.4	140.7	-169.2	151	0	110.5
888	V	36.6	Very low	36.5	Very low	130 Å²	130	130.6 Å²	130.6	79%	0.788	72%	0.715	S	S	*	*			trans	-110.7	125	170.7	169.9	0	0	0	0	108.4
889	K	34.7	Very low	35.6	Very low	178 Å²	178	130.7 Å²	130.7	77%	0.774	72%	0.723	S	S	*	*			trans	65.4	103.2	169.3	-66.3	176.3	176.3	-178.9	0	119.1
890	H	32.9	Very low	35	Very low	173 Å²	173	135.7 Å²	135.7	80%	0.801	74%	0.736	S	S	*	*				71.3	149.6	124.5	-75.3	-76.8	0	0	0	124.4
891	T	34.2	Very low	34.7	Very low	130 Å²	130	140.5 Å²	140.5	80%	0.798	75%	0.748	S	S	*	*			trans	78.3	108.3	149.8	35.3	0	0	0	0	121.7
892	A	32.1	Very low	34.4	Very low	94 Å²	94	139.6 Å²	139.6	78%	0.777	74%	0.744	S	S	*	*			trans	70.7	89.2	130.3	0	0	0	0	0	121.1
893	S	31	Very low	34.2	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	74%	0.744	S	S	*	*				13	125.8	127.5	-168.5	0	0	0	0	120
894	Q	35.7	Very low	34	Very low	186 Å²	186	142.9 Å²	142.9	87%	0.869	75%	0.746	S	S	*	*				-167.5	139.7	114.6	-103.7	174.1	14.1	0	0	114.9
895	N	34.4	Very low	34.2	Very low	152 Å²	152	143.6 Å²	143.6	81%	0.813	75%	0.751	S	S	*	*			trans	-20.8	167.6	171	-60.3	-18.8	0	0	0	124.3
896	A	36.2	Very low	34.2	Very low	95 Å²	95	146 Å²	146	79%	0.785	76%	0.755	S	S	*	*			trans	84.7	145.1	156.5	0	0	0	0	0	117.3
897	E	35.8	Very low	34.4	Very low	143 Å²	143	143.5 Å²	143.5	67%	0.668	76%	0.76	S	S	*	*			cis	-161	160.9	1.3	-135.1	-171.7	160.9	0	0	113.2
898	K	37.2	Very low	34.2	Very low	155 Å²	155	144.2 Å²	144.2	67%	0.674	77%	0.767	S	S	*	*			trans	61.3	132.7	162.9	-67.3	144.5	-178.3	155.9	0	117.9
899	Q	35.3	Very low	34.2	Very low	173 Å²	173	145.7 Å²	145.7	81%	0.808	77%	0.77	S	S	*	*			cis	68.4	136.3	45.8	-62.1	-172.5	-23.2	0	0	112.8
900	E	36.9	Very low	34.1	Very low	166 Å²	166	145.4 Å²	145.4	78%	0.776	77%	0.771	S	S	*	*			cis	-137.2	153.4	27	-73.3	-176.5	114.2	0	0	112.6
901	Q	35.6	Very low	34	Very low	139 Å²	139	144.5 Å²	144.5	65%	0.65	77%	0.77	S	S	*	*				54.6	143.9	83.1	-50.8	-165.6	47.9	0	0	116.1
902	Q	35	Very low	34.1	Very low	126 Å²	126	143.9 Å²	143.9	59%	0.589	77%	0.769	S	S	*	*			cis	-161.2	161.8	-1.5	-121.9	-172.1	88.2	0	0	111.3
903	K	35	Very low	34	Very low	165 Å²	165	147.1 Å²	147.1	72%	0.717	77%	0.773	S	S	*	*			trans	24.1	158	144.1	-63.3	-177.8	-163.7	146.6	0	123.4
904	T	32.9	Very low	34.2	Very low	118 Å²	118	149.8 Å²	149.8	72%	0.724	78%	0.779	S	S	*	*			cis	-170.5	158.6	-13	28.6	0	0	0	0	112.2
905	S	35	Very low	34.1	Very low	104 Å²	104	151.2 Å²	151.2	73%	0.727	78%	0.776	S	S	*	*			trans	67.2	122.2	142.4	62.6	0	0	0	0	125.4
906	K	29.6	Very low	34	Very low	209 Å²	209	149.7 Å²	149.7	91%	0.909	77%	0.773	S	S	*	*			trans	57.5	122.7	136.5	-72.9	-171.8	172	-170.6	0	122.9
907	A	34.3	Very low	34	Very low	103 Å²	103	155 Å²	155	85%	0.851	78%	0.778	S	S	*	*			trans	-161.2	163.1	131.9	0	0	0	0	0	110.9
908	E	28.6	Very low	33.9	Very low	184 Å²	184	158.5 Å²	158.5	86%	0.86	79%	0.785	S	S	*	*			trans	-113	154.5	173.2	-64.8	166.3	111.8	0	0	110
909	N	35.8	Very low	34	Very low	161 Å²	161	157.2 Å²	157.2	86%	0.861	79%	0.793	S	S	*	*			trans	178.9	-179.2	146	-95.8	-35.8	0	0	0	114.5
910	H	32.9	Very low	34	Very low	171 Å²	171	155.6 Å²	155.6	79%	0.792	79%	0.79	S	S	*	*			trans	-92	148.7	-159	-64.2	-36.4	0	0	0	118.4
911	I	30.3	Very low	34.1	Very low	154 Å²	154	153.1 Å²	153.1	79%	0.79	79%	0.788	S	S	*	*				14.8	142.2	116.5	-67.1	167.9	0	0	0	116.8
912	P	35.3	Very low	34.1	Very low	118 Å²	118	156.9 Å²	156.9	77%	0.766	80%	0.802	S	S	*	*			cis	-139.3	-167.5	32.7	26.6	0	0	0	0	117.9
913	D	30.4	Very low	34.2	Very low	161 Å²	161	154.6 Å²	154.6	86%	0.861	81%	0.813	S	S	*	*			trans	-47.9	159	167.6	-71.7	-59.7	0	0	0	116.5
914	D	35.5	Very low	34.1	Very low	162 Å²	162	154.4 Å²	154.4	87%	0.866	82%	0.819	S	S	*	*			trans	-142.2	166.1	152.3	-156.9	0.3	0	0	0	112.3
915	R	34	Very low	34.3	Very low	216 Å²	216	160.7 Å²	160.7	82%	0.815	83%	0.83	S	S	*	*			trans	-115.8	158.6	-159.3	-81.9	178.1	166.1	-176.5	-3.6	115.3
916	T	32.4	Very low	34.2	Very low	121 Å²	121	160.9 Å²	160.9	74%	0.742	83%	0.831	S	S	*	*			trans	61.7	120.4	150.6	50.9	0	0	0	0	120.5
917	K	35.2	Very low	34.6	Very low	205 Å²	205	158 Å²	158	89%	0.891	82%	0.823	S	S	*	*				-177.3	145.5	103.2	-95.1	159.1	-173.4	173.8	0	112.5
918	R	34.5	Very low	34.6	Very low	218 Å²	218	161 Å²	161	82%	0.823	82%	0.817	S	S	*	*			trans	-99.9	164.2	156.3	-76.9	-171.9	178	-176.1	1	109.1
919	P	38.3	Very low	34.9	Very low	128 Å²	128	158.1 Å²	158.1	83%	0.831	81%	0.812	S	S	*	*				-137.7	-178.3	112	34.5	-20	0	0	0	114.3
920	D	35.6	Very low	35	Very low	139 Å²	139	155.6 Å²	155.6	74%	0.743	80%	0.804	S	S	*	*			trans	-91.2	166.9	-162.8	-82.7	-54.7	0	0	0	117
921	P	39.7	Very low	34.9	Very low	113 Å²	113	153.6 Å²	153.6	73%	0.734	80%	0.804	S	S	*	*			trans	-95.1	158.2	-177.2	37.7	-36.3	0	0	0	115
922	K	36.6	Very low	35.1	Very low	218 Å²	218	154.1 Å²	154.1	95%	0.948	81%	0.808	S	S	*	*			trans	-170.4	140.3	155	-109	162.7	-174.1	175.2	0	110.1
923	G	35.2	Very low	35.1	Very low	79 Å²	79	154.4 Å²	154.4	81%	0.814	81%	0.808	S	S	*	*			trans	160.7	82.6	174.6	0	0	0	0	0	115.8
924	D	33.7	Very low	35.4	Very low	160 Å²	160	156.1 Å²	156.1	86%	0.856	81%	0.811	S	S	*	*			trans	-67	144.4	166.8	-77.5	-68.3	0	0	0	112.8
925	R	38.1	Very low	35.3	Very low	250 Å²	250	154.4 Å²	154.4	94%	0.943	81%	0.807	S	S	*	*				-175.9	148.7	115.7	-98.9	161.9	-175.5	-166.5	0.6	112.9
926	S	33.1	Very low	35.6	Very low	108 Å²	108	152.5 Å²	152.5	76%	0.755	81%	0.809	S	S	*	*			trans	-93.8	162.9	176.9	57.3	0	0	0	0	112.5
927	M	36.8	Very low	35.7	Very low	149 Å²	149	159.7 Å²	159.7	73%	0.734	83%	0.834	S	S	*	*				166.6	124.1	130	-85.9	-87	-131.1	0	0	113.6
928	K	35.7	Very low	35.8	Very low	166 Å²	166	157.4 Å²	157.4	72%	0.722	83%	0.831	S	S	*	*			trans	55.3	103.9	138.4	-65.2	178.2	-179.3	174	0	121.9
929	T	34.7	Very low	35.8	Very low	124 Å²	124	154.2 Å²	154.2	76%	0.761	83%	0.832	S	S	*	*				34.5	155.2	110.3	60.4	0	0	0	0	122
930	P	36.4	Very low	35.7	Very low	108 Å²	108	155.7 Å²	155.7	70%	0.701	83%	0.832	S	S	*	*			cis	-142.2	-177.6	-32.7	40.5	-21.9	0	0	0	114.5
931	T	31.5	Very low	35.7	Very low	128 Å²	128	156.6 Å²	156.6	79%	0.785	84%	0.837	S	S	*	*			trans	21.6	126	152.7	53.9	0	0	0	0	121.3
932	N	34.8	Very low	35.5	Very low	165 Å²	165	159.4 Å²	159.4	88%	0.882	84%	0.843	S	S	*	*				-150.4	156.6	123.4	-131.3	-5.8	0	0	0	112.8
933	T	34.3	Very low	35.4	Very low	125 Å²	125	155.5 Å²	155.5	77%	0.767	84%	0.837	S	S	*	*			trans	-97.4	147.4	178.6	49.1	0	0	0	0	111.9
934	E	36.8	Very low	35.4	Very low	196 Å²	196	160.9 Å²	160.9	92%	0.916	84%	0.838	S	S	*	*			trans	-150.2	150.4	147	-131.6	160	-143.3	0	0	112.2
935	T	34.2	Very low	35.5	Very low	126 Å²	126	161 Å²	161	77%	0.773	84%	0.837	S	S	*	*			trans	-108.4	160.4	-176.6	49.5	0	0	0	0	110.7
936	M	39.5	Very low	35.3	Very low	177 Å²	177	153.6 Å²	153.6	87%	0.872	83%	0.828	S	S	*	*			trans	168.7	90.4	130.4	-86.3	-139.8	75.3	0	0	112.1
937	Q	36.1	Very low	35.5	Very low	271 Å²	271	157.7 Å²	157.7	100%	1.266	83%	0.834	S	S	*	*			trans	-169.8	0	130.2	-105.5	177.7	18.2	0	0	110.3

Retrieved 937 of 937 residues in 433.7 ms (Link to these results)

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