A0A3Q0KSK6_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 852 aa.

						>A0A3Q0KSK6_SCHMA|A0A3Q0KSK6
MKLKSPSTSYISTDPVVLETLKKAQELQLEMNSKKYTSHSNKLTFSTNKHSSSIPPPTRKYSLSIPSKLSDTTGQNISKNLDTSQNYQQKMKEKKKFSFRKLIGKFEESSKSHINEMLNKSHSDIQIDLKNQQMESELEFAHKLMNSPEEMGLSLEGRDNEVECYVQTICEPCTLSKSAINFDRLLRRIDTTNARVTTLINLCTTAILASDKTAINFLVNSLKRMRRKQNLLINEADDTMLTFLKDPLILLRSKKKKAGKNESGVKFSISYPEDDDDDDDEDDDGDDVENDVVSNGDVREGNIEDKCENNKKIDEAQIRWEMSSNQLSTDYSTSDSDNDGPTPEFVLNLSKQIRKTEGTRLKQNLRLINRKKSSTTGNKKTSYNVPPPLNPLGHNRNDLLRSHATVASGLCQQSHKISSSSMLSTNGLHNTDSNNTKYTPTLPFNLLSLTGQLSWLISEYIERGSSTYKWATELINSIGKMSVTRSTWLNVHQQLRETTELLYSHRDQQLKLYHSTSETPQGEIAWTKLQAIHQNILNGDLNACTITPDSLKVLCQSPKQSNNSNNNERKLVQLSTLLEKKLHLAYLCDLLLWKAHKIILTQLNYTDDDIVKCQSMDFQIRLFELQLDQLNGQNWSSNLMDYMMCWISDICEWKVEFNLNTSDIDYFMWNEFYVFKNSVQNLLDLVKSLNACKLIRSALDEQNKNQIDINNSTYNCNLSSSVSNINLEDNQSRISSSDISSSSSSAAAAKTHSHRSLHNYHPHQSHHSQGDFRALDADRCSRSYSALIRQIQEHAMNNRPLAYFAERALYDIAVELGCTVNWDERFDSLSNELKNAWQEWELIIREKIDRDF
					

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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	25.2	Very low	25.5	Very low	242 Å²	242	155.5 Å²	155.5	100%	1.192	82%	0.822	S	S	*	*				0	144.8	0	-75.6	175.3	92.7	0	0	109.4
2	K	27.4	Very low	25.8	Very low	205 Å²	205	146.5 Å²	146.5	89%	0.891	78%	0.781	S	S	*	*			trans	83.6	67	-159.4	-61.3	-172.7	176.9	-178.4	0	113.4	K4	K2-K4 PolarHBondContact O-N 3.4Å
3	L	25.7	Very low	26.4	Very low	167 Å²	167	144.7 Å²	144.7	87%	0.874	78%	0.779	S	S	*	*			trans	-62.3	110.8	155	-71	164.2	0	0	0	106.5	S5	L3-S5 PolarHBondContact O-N 3.23Å; L3-S5 VanDerWaalsContact O-N 3.15Å
4	K	23.7	Very low	27.2	Very low	202 Å²	202	138.3 Å²	138.3	88%	0.878	75%	0.745	S	S	*	*			trans	-71.5	100.2	167.1	-78.5	179.6	173.9	-179.9	0	106.5	K2	K2-K4 PolarHBondContact O-N 3.4Å
5	S	26.8	Very low	28	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	73%	0.734	S	S	*	*			trans	-65	132.1	166	-54.3	0	0	0	0	108.6	L3	L3-S5 PolarHBondContact O-N 3.23Å; L3-S5 VanDerWaalsContact O-N 3.15Å
6	P	23	Very low	29.1	Very low	125 Å²	125	130.3 Å²	130.3	81%	0.812	71%	0.71	S	S	*	*			trans	-72.7	147.9	-179.6	-8.7	24.5	0	0	0	112.1
7	S	23.8	Very low	29.9	Very low	106 Å²	106	124 Å²	124	74%	0.741	68%	0.677	S	S	*	*			trans	-38.3	149.2	161.5	-49.7	0	0	0	0	113.1
8	T	23.9	Very low	30.8	Very low	107 Å²	107	123 Å²	123	66%	0.656	67%	0.67	S	S	*	*				-173.7	112.6	89	23.9	0	0	0	0	110.8
9	S	24.8	Very low	31.6	Very low	104 Å²	104	122.5 Å²	122.5	73%	0.727	66%	0.663	S	S	*	*			trans	-89.8	109.4	158.7	54.6	0	0	0	0	107.9	I11	S9-I11 VanDerWaalsContact C-N 3.27Å; S9-I11 PolarHBondContact O-N 3.03Å
10	Y	26.1	Very low	32.2	Very low	207 Å²	207	117.5 Å²	117.5	81%	0.812	64%	0.636	S	S	*	*			trans	-73.4	82.8	172.3	-76.4	-86.4	0	0	0	109.9	S12	Y10-S12 PolarHBondContact O-N 3.46Å
11	I	29.7	Very low	32.8	Very low	138 Å²	138	113.5 Å²	113.5	71%	0.708	62%	0.615	S	S	*	*			trans	-83.2	98.9	153.1	-61.7	169.5	0	0	0	104.3	S9 T13	S9-I11 VanDerWaalsContact C-N 3.27Å; S9-I11 PolarHBondContact O-N 3.03Å; I11-T13 HydrophobicContact CG2-CG2 4.48Å; I11-T13 PolarHBondContact O-N 3.37Å
12	S	29.9	Very low	33.9	Very low	48 Å²	48	108 Å²	108	34%	0.336	58%	0.584	S	S	.	*			trans	-72.5	112.6	172.8	-174	0	0	0	0	108.4	Y10 D14	Y10-S12 PolarHBondContact O-N 3.46Å; S12-D14 WeakPolarHBondContact OG-CB 3.37Å; S12-D14 PolarHBondContact OG-N 3.46Å
13	T	33	Very low	34.7	Very low	123 Å²	123	103.7 Å²	103.7	76%	0.755	57%	0.565	S	S	*	*			trans	-84.7	10.2	168.9	54.1	0	0	0	0	111.7	I11 P15	I11-T13 HydrophobicContact CG2-CG2 4.48Å; I11-T13 PolarHBondContact O-N 3.37Å; T13-P15 VanDerWaalsContact O-CD 3.29Å; T13-P15 WeakPolarHBondContact O-CD 3.31Å
14	D	37.1	Very low	35.5	Very low	55 Å²	55	97.7 Å²	97.7	29%	0.294	54%	0.539	S	S	.	.			trans	-69.8	114.4	178.6	-177.1	-6.3	0	0	0	109.3	S12 V16 V17 L18 K212	S12-D14 WeakPolarHBondContact OG-CB 3.37Å; S12-D14 PolarHBondContact OG-N 3.46Å; D14-V16 PolarHBondContact O-N 3.05Å; D14-V16 WeakPolarHBondContact OD1-CG2 3.48Å; D14-V16 PolarHBondContact OD1-N 3.42Å; D14-V17 HydrophobicContact CB-CB 4.36Å; D14-V17 HydrophobicContact CB-CG2 3.97Å; D14-V17 PolarHBondContact O-N 3.15Å; D14-L18 PolarHBondContact O-N 3.06Å; D14-K212 IonicContact OD1-NZ 2.66Å; D14-K212 IonicContact OD2-NZ 3.46Å; D14-K212 PolarHBondContact OD2-NZ 3.09Å
15	P	40.3	Very low	36.4	Very low	91 Å²	91	90.6 Å²	90.6	59%	0.591	51%	0.509	S	S	*	.	H	α-helix	trans	-55.6	-27	-178.6	21.3	-32.8	0	0	0	112.9	T13 L18 E19	T13-P15 VanDerWaalsContact O-CD 3.29Å; T13-P15 WeakPolarHBondContact O-CD 3.31Å; P15-L18 PolarHBondContact O-N 3.07Å; P15-E19 WeakPolarHBondContact O-CB 3.47Å; P15-E19 PolarHBondContact O-N 3.06Å
16	V	45	Very low	37.1	Very low	57 Å²	57	90.1 Å²	90.1	35%	0.345	50%	0.496	S	S	.	.	H	α-helix	trans	-78.2	-29.1	-179.7	-170.4	0	0	0	0	112	D14 L18 E19 T20 K212	D14-V16 PolarHBondContact O-N 3.05Å; D14-V16 WeakPolarHBondContact OD1-CG2 3.48Å; D14-V16 PolarHBondContact OD1-N 3.42Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-E19 PolarHBondContact O-N 2.88Å; V16-T20 WeakPolarHBondContact O-CB 3.03Å; V16-T20 PolarHBondContact O-N 2.96Å; V16-T20 PolarHBondContact O-OG1 3.46Å; V16-K212 HydrophobicContact CB-CD 4.12Å; V16-K212 HydrophobicContact CG1-CD 3.38Å; V16-K212 HydrophobicContact CG1-CG 4.2Å
17	V	42.4	Very low	38.2	Very low	24 Å²	24	86.2 Å²	86.2	15%	0.145	47%	0.467	C	S	.	.	H	α-helix	trans	-67.3	-39.7	172.2	173.5	0	0	0	0	109.8	D14 T20 L21	D14-V17 HydrophobicContact CB-CB 4.36Å; D14-V17 HydrophobicContact CB-CG2 3.97Å; D14-V17 PolarHBondContact O-N 3.15Å; V17-T20 PolarHBondContact O-N 3.41Å; V17-L21 HydrophobicContact CG1-CD1 4.22Å; V17-L21 WeakPolarHBondContact O-CB 3.4Å; V17-L21 WeakPolarHBondContact O-CG 3.25Å; V17-L21 PolarHBondContact O-N 3.33Å
18	L	47.2	Very low	38.9	Very low	106 Å²	106	87 Å²	87	56%	0.555	46%	0.459	S	S	*	.	H	α-helix	trans	-64.6	-43.8	174	-70.7	165.9	0	0	0	111.8	D14 P15 V16 L21 K22	D14-L18 PolarHBondContact O-N 3.06Å; P15-L18 PolarHBondContact O-N 3.07Å; V16-L18 VanDerWaalsContact C-N 3.33Å; L18-L21 PolarHBondContact O-N 3.28Å; L18-K22 WeakPolarHBondContact O-CB 3.14Å; L18-K22 PolarHBondContact O-N 3.22Å
19	E	45.7	Very low	39.4	Very low	113 Å²	113	87.5 Å²	87.5	53%	0.528	46%	0.458	S	S	.	.	H	α-helix	trans	-67.3	-37	177.7	-165.7	178.1	173	0	0	112.6	P15 V16 K22 K23	P15-E19 WeakPolarHBondContact O-CB 3.47Å; P15-E19 PolarHBondContact O-N 3.06Å; V16-E19 PolarHBondContact O-N 2.88Å; E19-K22 WeakPolarHBondContact O-CB 3.44Å; E19-K22 PolarHBondContact O-N 3Å; E19-K23 PolarHBondContact O-N 2.89Å
20	T	42.6	Very low	39.8	Very low	22 Å²	22	86.8 Å²	86.8	14%	0.135	44%	0.443	C	S	.	.	H	α-helix	trans	-67.5	-39.5	175.8	-51.4	0	0	0	0	111.4	V16 V17 K23 A24 I215	V16-T20 WeakPolarHBondContact O-CB 3.03Å; V16-T20 PolarHBondContact O-N 2.96Å; V16-T20 PolarHBondContact O-OG1 3.46Å; V17-T20 PolarHBondContact O-N 3.41Å; T20-K23 PolarHBondContact O-N 3.07Å; T20-A24 PolarHBondContact O-N 2.79Å; T20-I215 HydrophobicContact CG2-CB 4.36Å; T20-I215 HydrophobicContact CG2-CD1 4.33Å; T20-I215 HydrophobicContact CG2-CG2 3.62Å
21	L	45.3	Very low	40.6	Very low	35 Å²	35	81.3 Å²	81.3	18%	0.183	43%	0.426	C	S	.	.	H	α-helix	trans	-63.7	-42.8	172.9	-81	167.5	0	0	0	111.8	V17 L18 K23 A24 Q25 I207	V17-L21 HydrophobicContact CG1-CD1 4.22Å; V17-L21 WeakPolarHBondContact O-CB 3.4Å; V17-L21 WeakPolarHBondContact O-CG 3.25Å; V17-L21 PolarHBondContact O-N 3.33Å; L18-L21 PolarHBondContact O-N 3.28Å; L21-K23 PolarHBondContact O-N 2.91Å; L21-A24 PolarHBondContact O-N 3.33Å; L21-Q25 PolarHBondContact O-N 3.35Å; L21-I207 HydrophobicContact CD2-CG2 4.47Å
22	K	47.9	Very low	41	Very low	125 Å²	125	79.6 Å²	79.6	54%	0.543	42%	0.418	S	S	.	.	H	α-helix	trans	-58.6	-46.6	174.6	-173.1	-178	176	-172.1	0	111.3	L18 E19 A24 Q25 E26	L18-K22 WeakPolarHBondContact O-CB 3.14Å; L18-K22 PolarHBondContact O-N 3.22Å; E19-K22 WeakPolarHBondContact O-CB 3.44Å; E19-K22 PolarHBondContact O-N 3Å; K22-A24 PolarHBondContact O-N 3.44Å; K22-Q25 PolarHBondContact O-N 2.92Å; K22-E26 WeakPolarHBondContact CE-OE1 3.46Å; K22-E26 WeakPolarHBondContact O-CG 3.46Å; K22-E26 PolarHBondContact O-N 3.34Å
23	K	45.2	Very low	41.2	Very low	116 Å²	116	80.1 Å²	80.1	50%	0.504	42%	0.421	S	S	.	.	H	α-helix	trans	-61	-42.3	174.6	-87.8	-178.6	177.3	169.7	0	112.6	E19 T20 L21 Q25 L27	E19-K23 PolarHBondContact O-N 2.89Å; T20-K23 PolarHBondContact O-N 3.07Å; L21-K23 PolarHBondContact O-N 2.91Å; K23-Q25 VanDerWaalsContact C-N 3.3Å; K23-Q25 PolarHBondContact O-N 3.31Å; K23-L27 WeakPolarHBondContact O-CD1 3.09Å; K23-L27 WeakPolarHBondContact O-CG 3.21Å; K23-L27 PolarHBondContact O-N 3.41Å; K23-L27 VanDerWaalsContact O-N 3.15Å
24	A	42.4	Very low	41.2	Very low	40 Å²	40	80 Å²	80	33%	0.331	41%	0.41	S	S	.	.	H	α-helix	trans	-62.8	-36.6	178.5	0	0	0	0	0	112.5	T20 L21 K22 Q28	T20-A24 PolarHBondContact O-N 2.79Å; L21-A24 PolarHBondContact O-N 3.33Å; K22-A24 PolarHBondContact O-N 3.44Å; A24-Q28 PolarHBondContact O-N 3.47Å
25	Q	42.6	Very low	41.2	Very low	53 Å²	53	85.2 Å²	85.2	25%	0.248	43%	0.43	C	S	.	.	H	α-helix	trans	-75.3	-42.9	176.4	-79.6	178.8	-19.1	0	0	113.9	L21 K22 K23 L27 Q28 L29 D778	L21-Q25 PolarHBondContact O-N 3.35Å; K22-Q25 PolarHBondContact O-N 2.92Å; K23-Q25 VanDerWaalsContact C-N 3.3Å; K23-Q25 PolarHBondContact O-N 3.31Å; Q25-L27 PolarHBondContact O-N 3.47Å; Q25-Q28 WeakPolarHBondContact O-CB 3.22Å; Q25-Q28 PolarHBondContact O-N 3.14Å; Q25-L29 PolarHBondContact O-N 2.95Å; Q25-L29 VanDerWaalsContact O-N 3.08Å; Q25-D778 VanDerWaalsContact CD-OD1 3.26Å; Q25-D778 PolarHBondContact NE2-OD1 2.66Å; Q25-D778 PolarHBondContact NE2-OD2 3.02Å; Q25-D778 PolarHBondContact OE1-OD1 2.86Å; Q25-D778 VanDerWaalsContact OE1-OD1 3.09Å; Q25-D778 PolarHBondContact OE1-OD2 2.75Å
26	E	41.9	Very low	40.7	Very low	98 Å²	98	90 Å²	90	46%	0.458	44%	0.438	S	S	.	.	H	α-helix	trans	-53.9	-39.5	173.3	-80	176	-178.7	0	0	110.2	K22 Q28 L29 E30	K22-E26 WeakPolarHBondContact CE-OE1 3.46Å; K22-E26 WeakPolarHBondContact O-CG 3.46Å; K22-E26 PolarHBondContact O-N 3.34Å; E26-Q28 VanDerWaalsContact C-N 3.33Å; E26-Q28 PolarHBondContact O-N 3.11Å; E26-L29 PolarHBondContact O-N 3.04Å; E26-E30 VanDerWaalsContact O-CB 3.31Å; E26-E30 WeakPolarHBondContact O-CB 3.5Å; E26-E30 PolarHBondContact O-N 3.36Å
27	L	45.7	Very low	39.9	Very low	42 Å²	42	92.3 Å²	92.3	22%	0.22	45%	0.452	C	S	.	.	H	α-helix	trans	-67.7	-28.1	176.8	-67.1	168.7	0	0	0	114.4	K23 Q25 V219	K23-L27 WeakPolarHBondContact O-CD1 3.09Å; K23-L27 WeakPolarHBondContact O-CG 3.21Å; K23-L27 PolarHBondContact O-N 3.41Å; K23-L27 VanDerWaalsContact O-N 3.15Å; Q25-L27 PolarHBondContact O-N 3.47Å; L27-V219 HydrophobicContact CD1-CG1 3.73Å
28	Q	38.5	Very low	39.3	Very low	123 Å²	123	95.4 Å²	95.4	58%	0.575	48%	0.475	S	S	*	.	H	α-helix	trans	-73.2	-37.8	174.3	-135.1	-178.9	2.8	0	0	110.9	A24 Q25 E26	A24-Q28 PolarHBondContact O-N 3.47Å; Q25-Q28 WeakPolarHBondContact O-CB 3.22Å; Q25-Q28 PolarHBondContact O-N 3.14Å; E26-Q28 VanDerWaalsContact C-N 3.33Å; E26-Q28 PolarHBondContact O-N 3.11Å
29	L	35	Very low	38.4	Very low	118 Å²	118	99 Å²	99	62%	0.618	49%	0.489	S	S	*	.	H	α-helix	trans	-77.7	-35.7	178.2	-68.4	168.2	0	0	0	113	Q25 E26 M31 N32 S33	Q25-L29 PolarHBondContact O-N 2.95Å; Q25-L29 VanDerWaalsContact O-N 3.08Å; E26-L29 PolarHBondContact O-N 3.04Å; L29-M31 PolarHBondContact O-N 3.32Å; L29-N32 PolarHBondContact O-N 2.98Å; L29-S33 PolarHBondContact O-N 3.05Å; L29-S33 PolarHBondContact O-OG 3.37Å; L29-S33 VanDerWaalsContact O-OG 3.08Å
30	E	32.4	Very low	37.4	Very low	88 Å²	88	97.5 Å²	97.5	41%	0.411	49%	0.491	S	S	.	.	H	α-helix	trans	-65.7	-28.4	178.7	-148.6	-166.2	154.8	0	0	111.9	E26 S33 K34	E26-E30 VanDerWaalsContact O-CB 3.31Å; E26-E30 WeakPolarHBondContact O-CB 3.5Å; E26-E30 PolarHBondContact O-N 3.36Å; E30-S33 WeakPolarHBondContact CA-OG 3.46Å; E30-S33 PolarHBondContact O-OG 3.05Å; E30-S33 VanDerWaalsContact O-OG 3.12Å; E30-K34 WeakPolarHBondContact O-CG 3.5Å; E30-K34 PolarHBondContact O-N 3.27Å; E30-K34 WeakPolarHBondContact OE1-CE 3.29Å; E30-K34 IonicContact OE1-NZ 3.77Å; E30-K34 PolarHBondContact OE1-NZ 2.84Å
31	M	43.5	Very low	36.6	Very low	93 Å²	93	104.5 Å²	104.5	46%	0.458	53%	0.528	S	S	.	.	H	α-helix	trans	-77.2	-32.9	173.3	-71.3	-151.1	73.6	0	0	113.2	L29	L29-M31 PolarHBondContact O-N 3.32Å
32	N	37.4	Very low	35.6	Very low	102 Å²	102	112.6 Å²	112.6	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-71.1	-36.2	175.1	-72.1	-12.9	0	0	0	111.3	L29 Y36	L29-N32 PolarHBondContact O-N 2.98Å; N32-Y36 WeakPolarHBondContact O-CD2 3.47Å
33	S	33.5	Very low	34.3	Very low	58 Å²	58	114.4 Å²	114.4	41%	0.406	58%	0.576	S	S	.	*	H	α-helix	trans	-74.3	-33.4	179.2	52.2	0	0	0	0	114.3	L29 E30 K35 Y36 T37	L29-S33 PolarHBondContact O-N 3.05Å; L29-S33 PolarHBondContact O-OG 3.37Å; L29-S33 VanDerWaalsContact O-OG 3.08Å; E30-S33 WeakPolarHBondContact CA-OG 3.46Å; E30-S33 PolarHBondContact O-OG 3.05Å; E30-S33 VanDerWaalsContact O-OG 3.12Å; S33-K35 PolarHBondContact O-N 3.34Å; S33-Y36 PolarHBondContact O-N 3.36Å; S33-T37 PolarHBondContact O-N 2.93Å; S33-T37 PolarHBondContact O-OG1 2.86Å
34	K	33.5	Very low	33.3	Very low	120 Å²	120	115.8 Å²	115.8	52%	0.522	59%	0.594	S	S	.	*	H	α-helix	trans	-64.9	-21.1	176.1	-78	173.5	-175.5	163.2	0	114	E30 S38	E30-K34 WeakPolarHBondContact O-CG 3.5Å; E30-K34 PolarHBondContact O-N 3.27Å; E30-K34 WeakPolarHBondContact OE1-CE 3.29Å; E30-K34 IonicContact OE1-NZ 3.77Å; E30-K34 PolarHBondContact OE1-NZ 2.84Å; K34-S38 PolarHBondContact O-OG 2.77Å; K34-S38 VanDerWaalsContact O-OG 3.09Å
35	K	36.9	Very low	32.4	Very low	165 Å²	165	123.5 Å²	123.5	72%	0.717	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-23.7	168.6	-80.3	-170.8	175.6	-174.6	0	113.2	S33	S33-K35 PolarHBondContact O-N 3.34Å
36	Y	29.9	Very low	31.3	Very low	193 Å²	193	126.3 Å²	126.3	76%	0.757	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-25.9	-178.6	-76.1	-76.6	0	0	0	114.4	N32 S33	N32-Y36 WeakPolarHBondContact O-CD2 3.47Å; S33-Y36 PolarHBondContact O-N 3.36Å
37	T	29.2	Very low	30.3	Very low	104 Å²	104	127.8 Å²	127.8	64%	0.638	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-4	-177.5	42.6	0	0	0	0	115.4	S33	S33-T37 PolarHBondContact O-N 2.93Å; S33-T37 PolarHBondContact O-OG1 2.86Å
38	S	29.6	Very low	29.2	Very low	90 Å²	90	133.7 Å²	133.7	63%	0.629	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-3.3	-176.6	-53.5	0	0	0	0	114.9	K34	K34-S38 PolarHBondContact O-OG 2.77Å; K34-S38 VanDerWaalsContact O-OG 3.09Å
39	H	27.3	Very low	28.4	Very low	181 Å²	181	136.5 Å²	136.5	84%	0.838	70%	0.704	S	S	*	*	S	Bend	trans	-118.7	7.5	-178.8	-73.2	-59.1	0	0	0	115.8
40	S	26.2	Very low	27.8	Very low	82 Å²	82	139 Å²	139	57%	0.573	71%	0.713	S	S	*	*	S	Bend	trans	-123.7	65	174.9	69.4	0	0	0	0	111.6
41	N	24.1	Very low	27.4	Very low	169 Å²	169	139.3 Å²	139.3	90%	0.904	72%	0.724	S	S	*	*			trans	-166.6	70.1	159.4	-92.5	-20.7	0	0	0	110.1
42	K	24.1	Very low	26.5	Very low	204 Å²	204	140.8 Å²	140.8	89%	0.887	74%	0.744	S	S	*	*			trans	-146.7	79.2	163.9	-110.8	-175	-178.6	178.1	0	107.8
43	L	22.2	Very low	26.1	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	76%	0.756	S	S	*	*			trans	-174.4	76.9	164.5	-103	153.2	0	0	0	109.6
44	T	24.4	Very low	25.7	Very low	146 Å²	146	146.3 Å²	146.3	90%	0.896	78%	0.776	S	S	*	*			trans	-150.6	127.3	151.1	33.5	0	0	0	0	109.7
45	F	22.7	Very low	25.4	Very low	202 Å²	202	146 Å²	146	89%	0.886	79%	0.786	S	S	*	*			trans	-59.6	141.4	-174.5	-101.9	-102.8	0	0	0	113.7
46	S	20	Very low	25	Very low	112 Å²	112	143.5 Å²	143.5	78%	0.783	79%	0.787	S	S	*	*			trans	-69.4	118.2	172	-28.7	0	0	0	0	111.4
47	T	21.3	Very low	24.8	Very low	129 Å²	129	140.5 Å²	140.5	79%	0.791	79%	0.791	S	S	*	*			trans	-153.3	99.2	152.1	49.5	0	0	0	0	109.8
48	N	22.4	Very low	24.7	Very low	166 Å²	166	142.2 Å²	142.2	89%	0.888	80%	0.801	S	S	*	*				-176.9	144.5	117.8	-104.1	-20.9	0	0	0	113.1
49	K	20.3	Very low	24.5	Very low	182 Å²	182	148.4 Å²	148.4	79%	0.791	81%	0.811	S	S	*	*			trans	-77.2	159	177.4	-69.1	172.4	170	177.7	0	111.5
50	H	22.7	Very low	24.3	Very low	171 Å²	171	149.1 Å²	149.1	79%	0.792	81%	0.812	S	S	*	*			trans	94.1	109.8	157.3	-74	-69.1	0	0	0	120.2
51	S	24	Very low	24.3	Very low	94 Å²	94	155.3 Å²	155.3	66%	0.657	82%	0.824	S	S	*	*			trans	64.6	108.8	131.8	63	0	0	0	0	120.2
52	S	25.2	Very low	24.3	Very low	123 Å²	123	152.4 Å²	152.4	86%	0.86	82%	0.817	S	S	*	*			trans	36.1	92.3	131	63.1	0	0	0	0	117.6
53	S	28.6	Very low	24.3	Very low	114 Å²	114	151.1 Å²	151.1	80%	0.797	82%	0.819	S	S	*	*			trans	-140.1	118.4	149.7	67.3	0	0	0	0	109.6
54	I	24.4	Very low	24.4	Very low	163 Å²	163	148.6 Å²	148.6	84%	0.836	82%	0.815	S	S	*	*			trans	-44.7	131.6	177.5	-65.5	151	0	0	0	112.7
55	P	28.4	Very low	24.5	Very low	113 Å²	113	148.5 Å²	148.5	73%	0.734	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.9	150.1	159.2	9.8	6.4	0	0	0	111
56	P	27.6	Very low	24.6	Very low	112 Å²	112	144.5 Å²	144.5	73%	0.727	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-79.6	160.2	-169.4	7.8	8.6	0	0	0	113.5	T58	P56-T58 PolarHBondContact O-N 2.81Å
57	P	26.1	Very low	25	Very low	131 Å²	131	144.8 Å²	144.8	85%	0.851	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.3	119.7	-175.1	28.7	-33.3	0	0	0	111.7	R59	P57-R59 PolarHBondContact O-N 3.26Å
58	T	27.6	Very low	25.2	Very low	139 Å²	139	147.4 Å²	147.4	85%	0.853	80%	0.804	S	S	*	*			trans	-73.5	110	169.4	28.7	0	0	0	0	110.3	P56 K60	P56-T58 PolarHBondContact O-N 2.81Å; T58-K60 PolarHBondContact O-N 2.84Å
59	R	24	Very low	25.4	Very low	220 Å²	220	148 Å²	148	83%	0.83	81%	0.807	S	S	*	*			trans	-40.9	121.3	170.5	-104.9	174.2	-168.9	160.6	4.5	112.3	P57 Y61	P57-R59 PolarHBondContact O-N 3.26Å; R59-Y61 PolarHBondContact O-N 3.41Å
60	K	23.6	Very low	25.7	Very low	196 Å²	196	144.2 Å²	144.2	85%	0.852	80%	0.803	S	S	*	*			trans	-60.5	119.5	165.1	-61.9	-174.7	177.2	-170.6	0	109	T58	T58-K60 PolarHBondContact O-N 2.84Å
61	Y	26.6	Very low	25.9	Very low	212 Å²	212	144 Å²	144	83%	0.831	81%	0.807	S	S	*	*			trans	-93.4	98.9	161.7	-75.8	-84.2	0	0	0	107.3	R59	R59-Y61 PolarHBondContact O-N 3.41Å
62	S	24.9	Very low	26	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	81%	0.813	S	S	*	*			trans	-70.7	125.4	168.8	37	0	0	0	0	109.5	S64	S62-S64 PolarHBondContact O-N 2.78Å
63	L	23.9	Very low	26.1	Very low	176 Å²	176	146.4 Å²	146.4	92%	0.921	81%	0.813	S	S	*	*			trans	-73.5	89	174.1	-80.8	154.7	0	0	0	109.3	I65	L63-I65 PolarHBondContact O-N 3.33Å
64	S	24.8	Very low	25.9	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	81%	0.811	S	S	*	*			trans	-70.9	116.2	167	52.3	0	0	0	0	109.9	S62	S62-S64 PolarHBondContact O-N 2.78Å
65	I	26.4	Very low	25.8	Very low	144 Å²	144	145.5 Å²	145.5	74%	0.738	81%	0.812	S	S	*	*			trans	-57.2	134.3	171.6	-61.1	168.5	0	0	0	108.8	L63 S67	L63-I65 PolarHBondContact O-N 3.33Å; I65-S67 PolarHBondContact O-N 2.67Å
66	P	24.4	Very low	25.7	Very low	119 Å²	119	146.3 Å²	146.3	77%	0.773	81%	0.811	S	S	*	*			trans	-66.2	103.8	-178.3	-15.2	28.4	0	0	0	111.2	K68	P66-K68 PolarHBondContact O-N 3.49Å
67	S	27.7	Very low	25.4	Very low	118 Å²	118	147.5 Å²	147.5	83%	0.825	81%	0.809	S	S	*	*			trans	-73.2	67.8	170.7	-43	0	0	0	0	110.7	I65	I65-S67 PolarHBondContact O-N 2.67Å
68	K	25	Very low	25.2	Very low	183 Å²	183	145.3 Å²	145.3	80%	0.796	80%	0.797	S	S	*	*			trans	-147.4	69.2	168.2	-74.8	-163.1	178.2	-177.1	0	110.9	P66	P66-K68 PolarHBondContact O-N 3.49Å
69	L	26.8	Very low	25	Very low	180 Å²	180	147.6 Å²	147.6	94%	0.942	80%	0.795	S	S	*	*	S	Bend	trans	-154.8	32.3	161.8	-109.8	157.8	0	0	0	112.7
70	S	26.7	Very low	25.1	Very low	101 Å²	101	144.2 Å²	144.2	71%	0.706	79%	0.794	S	S	*	*			trans	-142.7	56	172.3	64.2	0	0	0	0	111.3
71	D	27.3	Very low	25	Very low	166 Å²	166	142.2 Å²	142.2	89%	0.888	79%	0.791	S	S	*	*			trans	-120	58.5	163.9	-75.8	-31.2	0	0	0	108.9
72	T	25.9	Very low	24.9	Very low	128 Å²	128	138.2 Å²	138.2	79%	0.785	78%	0.784	S	S	*	*			trans	-100	113	155.3	42.6	0	0	0	0	108.4
73	T	28.6	Very low	25.1	Very low	141 Å²	141	139.5 Å²	139.5	87%	0.865	79%	0.788	S	S	*	*	S	Bend	trans	90.4	105.2	160.3	-23.4	0	0	0	0	117.1
74	G	23.9	Very low	25.2	Very low	72 Å²	72	136 Å²	136	74%	0.742	78%	0.778	S	S	*	*				79.1	109.9	127	0	0	0	0	0	118	N76	G74-N76 PolarHBondContact O-N 3.33Å
75	Q	22.6	Very low	25.3	Very low	185 Å²	185	139.1 Å²	139.1	86%	0.864	78%	0.781	S	S	*	*			trans	-37.8	119.8	156.8	-68.7	168.8	-27	0	0	112.5
76	N	24.8	Very low	25.5	Very low	131 Å²	131	137.3 Å²	137.3	70%	0.701	77%	0.772	S	S	*	*				163.1	119.8	117.5	-85.7	-39.2	0	0	0	112	G74	G74-N76 PolarHBondContact O-N 3.33Å
77	I	22.5	Very low	25.6	Very low	136 Å²	136	142.4 Å²	142.4	70%	0.697	78%	0.778	S	S	*	*				64.5	89.2	126.9	-54.9	170.9	0	0	0	116.2
78	S	21.4	Very low	25.7	Very low	85 Å²	85	145.9 Å²	145.9	59%	0.594	78%	0.781	S	S	*	*				58.9	136.2	111	88.2	0	0	0	0	121.9
79	K	23	Very low	25.9	Very low	188 Å²	188	144.1 Å²	144.1	82%	0.817	78%	0.776	S	S	*	*			trans	104.7	139	140.2	-69.5	172.9	-178.9	-176.2	0	119.4
80	N	26.5	Very low	26	Very low	149 Å²	149	144.6 Å²	144.6	80%	0.797	77%	0.77	S	S	*	*			trans	76.6	105.4	175	-66.6	-10.7	0	0	0	115
81	L	20.8	Very low	26	Very low	153 Å²	153	147.9 Å²	147.9	80%	0.801	78%	0.776	S	S	*	*				61.2	131.8	50.7	-138.1	92.2	0	0	0	112.1
82	D	25.4	Very low	26.2	Very low	128 Å²	128	149.5 Å²	149.5	68%	0.684	78%	0.775	S	S	*	*			trans	86.3	87.6	177.8	-58.5	-21.3	0	0	0	118.6
83	T	28.3	Very low	26.2	Very low	136 Å²	136	150 Å²	150	83%	0.834	77%	0.769	S	S	*	*			trans	-150	62.5	135.9	-17.3	0	0	0	0	111.2
84	S	26.5	Very low	26.5	Very low	102 Å²	102	152.6 Å²	152.6	71%	0.713	77%	0.768	S	S	*	*			trans	-64.4	135.4	148.5	44.2	0	0	0	0	108.6
85	Q	26.6	Very low	26.8	Very low	177 Å²	177	156.5 Å²	156.5	83%	0.827	77%	0.765	S	S	*	*			trans	88.1	63.7	179.9	-51.5	-158.3	-7.5	0	0	118
86	N	30.3	Very low	27.3	Very low	106 Å²	106	157.3 Å²	157.3	57%	0.567	77%	0.765	S	S	*	*			trans	-139.5	34.6	138.7	-134.9	-28.4	0	0	0	112.9	Q88	N86-Q88 PolarHBondContact O-N 3.48Å
87	Y	26.6	Very low	27.6	Very low	225 Å²	225	158.4 Å²	158.4	88%	0.882	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-2.8	-178.7	-111.1	-87.9	0	0	0	114.2
88	Q	31.2	Very low	28.2	Very low	191 Å²	191	155.2 Å²	155.2	89%	0.893	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	5.7	178.4	-73.7	-166.2	-8.6	0	0	115.5	N86	N86-Q88 PolarHBondContact O-N 3.48Å
89	Q	28.2	Very low	28.7	Very low	147 Å²	147	159.6 Å²	159.6	69%	0.687	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	-7.4	174	-127.9	170.4	11.7	0	0	115.1	M91	Q89-M91 PolarHBondContact O-N 3.07Å
90	K	28.7	Very low	29.2	Very low	189 Å²	189	160.6 Å²	160.6	82%	0.822	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-79.7	-7.8	176.1	-96.6	-179	176.2	177.2	0	115.5	K92	K90-K92 PolarHBondContact O-N 3.43Å
91	M	27.5	Very low	29.8	Very low	170 Å²	170	160.3 Å²	160.3	84%	0.837	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-74.6	-0.3	172.1	-81.8	-67	-175	0	0	114.4	Q89	Q89-M91 PolarHBondContact O-N 3.07Å
92	K	31	Very low	30.6	Very low	200 Å²	200	158.1 Å²	158.1	87%	0.87	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-120.6	9.7	179.1	-76.3	-173.2	176.3	178.3	0	116.3	K90	K90-K92 PolarHBondContact O-N 3.43Å
93	E	26.6	Very low	31.2	Very low	138 Å²	138	157.1 Å²	157.1	65%	0.645	74%	0.735	S	S	*	*			trans	-127.3	58.7	166.6	-72.8	-164.6	-179.7	0	0	111.7	K95	E93-K95 PolarHBondContact O-N 2.7Å; E93-K95 WeakPolarHBondContact OE2-CE 3.49Å; E93-K95 IonicContact OE2-NZ 3.9Å
94	K	33.6	Very low	31.3	Very low	196 Å²	196	151.9 Å²	151.9	85%	0.852	71%	0.708	S	S	*	*			trans	-66.9	81.1	144.3	-71.7	-171.7	-177.8	-177.5	0	105.7	K96	K94-K96 VanDerWaalsContact C-N 3.32Å; K94-K96 PolarHBondContact O-N 3.03Å
95	K	30.1	Very low	31.8	Very low	155 Å²	155	154.8 Å²	154.8	67%	0.674	71%	0.708	S	S	*	*			trans	-48.3	107.1	167.6	-84.2	176.2	178.8	162.3	0	105	E93 F97	E93-K95 PolarHBondContact O-N 2.7Å; E93-K95 WeakPolarHBondContact OE2-CE 3.49Å; E93-K95 IonicContact OE2-NZ 3.9Å; K95-F97 VanDerWaalsContact C-N 3.27Å; K95-F97 PolarHBondContact O-N 2.86Å
96	K	33	Very low	32.4	Very low	201 Å²	201	153.2 Å²	153.2	87%	0.874	70%	0.699	S	S	*	*			trans	-46	104.6	165.5	-77.5	179.8	174.6	-179.6	0	104.6	K94 S98	K94-K96 VanDerWaalsContact C-N 3.32Å; K94-K96 PolarHBondContact O-N 3.03Å; K96-S98 PolarHBondContact O-N 2.96Å
97	F	32.1	Very low	32.6	Very low	155 Å²	155	155 Å²	155	68%	0.68	70%	0.704	S	S	*	*			trans	-73.3	84.7	178	-163.9	-88.9	0	0	0	104.6	K95 L102	K95-F97 VanDerWaalsContact C-N 3.27Å; K95-F97 PolarHBondContact O-N 2.86Å; F97-L102 HydrophobicContact CE1-CD1 4.08Å
98	S	34.3	Very low	32.9	Very low	69 Å²	69	152 Å²	152	48%	0.483	70%	0.697	S	S	.	*			trans	-72.1	130.6	180	178.5	0	0	0	0	107.4	K96 R100 K101	K96-S98 PolarHBondContact O-N 2.96Å; S98-R100 PolarHBondContact O-N 3.01Å; S98-R100 PolarHBondContact OG-N 3.19Å; S98-K101 PolarHBondContact O-N 3.32Å
99	F	32.9	Very low	33.3	Very low	176 Å²	176	145.5 Å²	145.5	77%	0.772	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.9	-26.7	171.2	-99	-94.5	0	0	0	113.2	K101 L102 I103	F99-K101 PolarHBondContact O-N 3.03Å; F99-L102 PolarHBondContact O-N 3.25Å; F99-L102 VanDerWaalsContact O-N 3.15Å; F99-I103 PolarHBondContact O-N 2.91Å
100	R	34	Very low	33.9	Very low	210 Å²	210	141 Å²	141	79%	0.792	66%	0.658	S	S	*	*	H	α-helix	trans	-54.7	-29.5	172.4	-95	-169.9	-172.5	-166.9	2.5	114.5	S98 I103 G104	S98-R100 PolarHBondContact O-N 3.01Å; S98-R100 PolarHBondContact OG-N 3.19Å; R100-I103 PolarHBondContact O-N 3.49Å; R100-G104 PolarHBondContact O-N 2.96Å
101	K	37.7	Very low	34.2	Very low	143 Å²	143	140.6 Å²	140.6	62%	0.622	66%	0.657	S	S	*	*	H	α-helix	trans	-76.1	-26.5	-179	-146.8	176.9	-174.5	-178.2	0	112.6	S98 F99 K105	S98-K101 PolarHBondContact O-N 3.32Å; F99-K101 PolarHBondContact O-N 3.03Å; K101-K105 PolarHBondContact O-N 2.68Å
102	L	37.6	Very low	34.8	Very low	107 Å²	107	137 Å²	137	56%	0.56	65%	0.648	S	S	*	*	H	α-helix	trans	-75.1	-36.8	173	-132.4	128.4	0	0	0	110.6	F97 F99 F106	F97-L102 HydrophobicContact CE1-CD1 4.08Å; F99-L102 PolarHBondContact O-N 3.25Å; F99-L102 VanDerWaalsContact O-N 3.15Å; L102-F106 PolarHBondContact O-N 3.2Å
103	I	39	Very low	35.2	Very low	106 Å²	106	131.4 Å²	131.4	54%	0.544	63%	0.625	S	S	.	*	H	α-helix	trans	-74.1	-32.7	172.8	-60.2	171.7	0	0	0	112	F99 R100 K105 F106 E107	F99-I103 PolarHBondContact O-N 2.91Å; R100-I103 PolarHBondContact O-N 3.49Å; I103-K105 VanDerWaalsContact C-N 3.35Å; I103-K105 PolarHBondContact O-N 3.09Å; I103-F106 WeakPolarHBondContact O-CA 3.17Å; I103-F106 WeakPolarHBondContact O-CB 3.44Å; I103-F106 PolarHBondContact O-N 3.46Å; I103-E107 PolarHBondContact O-N 3.09Å
104	G	29.9	Very low	35.9	Very low	27 Å²	27	129.6 Å²	129.6	28%	0.278	62%	0.619	S	S	.	*	H	α-helix	trans	-67.1	-35	176.9	0	0	0	0	0	112.7	R100 F106 E107 E108	R100-G104 PolarHBondContact O-N 2.96Å; G104-F106 PolarHBondContact O-N 2.88Å; G104-E107 PolarHBondContact O-N 2.61Å; G104-E107 VanDerWaalsContact O-N 3.16Å; G104-E108 PolarHBondContact O-N 3.12Å
105	K	37.3	Very low	36.2	Very low	162 Å²	162	126.6 Å²	126.6	70%	0.704	61%	0.612	S	S	*	*	H	α-helix	trans	-63.3	-32.1	168.4	-79	-167.7	173.8	-170.3	0	112.2	K101 I103 S109	K101-K105 PolarHBondContact O-N 2.68Å; I103-K105 VanDerWaalsContact C-N 3.35Å; I103-K105 PolarHBondContact O-N 3.09Å; K105-S109 WeakPolarHBondContact O-CB 3.44Å; K105-S109 PolarHBondContact O-N 2.91Å; K105-S109 PolarHBondContact O-OG 3.48Å
106	F	38.9	Very low	36.8	Very low	144 Å²	144	123.9 Å²	123.9	63%	0.632	60%	0.602	S	S	*	*	H	α-helix	trans	-60.9	-48.8	169.9	-111.8	-90.5	0	0	0	110.5	L102 I103 G104 S109 S110	L102-F106 PolarHBondContact O-N 3.2Å; I103-F106 WeakPolarHBondContact O-CA 3.17Å; I103-F106 WeakPolarHBondContact O-CB 3.44Å; I103-F106 PolarHBondContact O-N 3.46Å; G104-F106 PolarHBondContact O-N 2.88Å; F106-S109 PolarHBondContact O-OG 3.27Å; F106-S110 PolarHBondContact O-N 3.25Å; F106-S110 PolarHBondContact O-OG 3Å
107	E	33.6	Very low	37	Very low	144 Å²	144	117.8 Å²	117.8	67%	0.673	58%	0.577	S	S	*	*	H	α-helix	trans	-69.5	-37.3	-179.3	-87	-168.9	146.8	0	0	115.2	I103 G104 S110	I103-E107 PolarHBondContact O-N 3.09Å; G104-E107 PolarHBondContact O-N 2.61Å; G104-E107 VanDerWaalsContact O-N 3.16Å; E107-S110 WeakPolarHBondContact O-CB 3.19Å; E107-S110 PolarHBondContact O-N 3.12Å
108	E	34.4	Very low	37.5	Very low	161 Å²	161	117 Å²	117	75%	0.752	58%	0.579	S	S	*	*	H	α-helix	trans	-72.3	-32.4	179.4	-115	164	-171.8	0	0	112	G104 S110	G104-E108 PolarHBondContact O-N 3.12Å; E108-S110 VanDerWaalsContact C-N 3.3Å; E108-S110 PolarHBondContact O-N 3.08Å
109	S	38.1	Very low	37.9	Very low	56 Å²	56	120.9 Å²	120.9	39%	0.392	60%	0.595	S	S	.	*	H	α-helix	trans	-63.9	-37.2	170	75.1	0	0	0	0	111.4	K105 F106 K111 S112 H113	K105-S109 WeakPolarHBondContact O-CB 3.44Å; K105-S109 PolarHBondContact O-N 2.91Å; K105-S109 PolarHBondContact O-OG 3.48Å; F106-S109 PolarHBondContact O-OG 3.27Å; S109-K111 VanDerWaalsContact C-N 3.3Å; S109-K111 PolarHBondContact O-N 3.49Å; S109-S112 PolarHBondContact O-N 3.21Å; S109-S112 PolarHBondContact O-OG 3.09Å; S109-H113 WeakPolarHBondContact O-CB 3.28Å; S109-H113 PolarHBondContact O-N 3.33Å
110	S	41.2	Very low	38.5	Very low	53 Å²	53	116.9 Å²	116.9	37%	0.371	58%	0.577	S	S	.	*	H	α-helix	trans	-58.3	-35.4	-178.5	-54.5	0	0	0	0	113.9	F106 E107 E108 I114	F106-S110 PolarHBondContact O-N 3.25Å; F106-S110 PolarHBondContact O-OG 3Å; E107-S110 WeakPolarHBondContact O-CB 3.19Å; E107-S110 PolarHBondContact O-N 3.12Å; E108-S110 VanDerWaalsContact C-N 3.3Å; E108-S110 PolarHBondContact O-N 3.08Å; S110-I114 VanDerWaalsContact O-CD1 3.25Å; S110-I114 WeakPolarHBondContact O-CD1 3.23Å; S110-I114 WeakPolarHBondContact O-CG1 2.93Å; S110-I114 PolarHBondContact O-N 2.8Å; S110-I114 VanDerWaalsContact O-N 3.15Å
111	K	35.5	Very low	39.1	Very low	180 Å²	180	109.7 Å²	109.7	78%	0.783	56%	0.558	S	S	*	*	H	α-helix	trans	-77	-34.3	-175.3	-76.3	-177.9	-179.8	172.7	0	114.1	S109	S109-K111 VanDerWaalsContact C-N 3.3Å; S109-K111 PolarHBondContact O-N 3.49Å
112	S	39.9	Very low	39.8	Very low	93 Å²	93	110.5 Å²	110.5	65%	0.65	56%	0.564	S	S	*	*	H	α-helix	trans	-79.9	-27.7	173	63.3	0	0	0	0	111.8	S109	S109-S112 PolarHBondContact O-N 3.21Å; S109-S112 PolarHBondContact O-OG 3.09Å
113	H	39	Very low	40.6	Very low	83 Å²	83	108.7 Å²	108.7	38%	0.384	56%	0.56	S	S	.	*	H	α-helix	trans	-85.3	-23.8	-171.8	-154.1	39.3	0	0	0	114.3	S109 N115 E116 M117	S109-H113 WeakPolarHBondContact O-CB 3.28Å; S109-H113 PolarHBondContact O-N 3.33Å; H113-N115 PolarHBondContact O-N 3.18Å; H113-E116 IonicContact ND1-OE2 3.79Å; H113-E116 PolarHBondContact O-N 3.34Å; H113-M117 WeakPolarHBondContact O-CB 3.43Å; H113-M117 VanDerWaalsContact O-CG 3.28Å; H113-M117 WeakPolarHBondContact O-CG 3.3Å; H113-M117 PolarHBondContact O-N 3.08Å
114	I	43	Very low	41.4	Very low	101 Å²	101	107 Å²	107	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-58.6	-34.6	174.7	-71.8	158.2	0	0	0	111.9	S110 E116	S110-I114 VanDerWaalsContact O-CD1 3.25Å; S110-I114 WeakPolarHBondContact O-CD1 3.23Å; S110-I114 WeakPolarHBondContact O-CG1 2.93Å; S110-I114 PolarHBondContact O-N 2.8Å; S110-I114 VanDerWaalsContact O-N 3.15Å; I114-E116 VanDerWaalsContact C-N 3.34Å
115	N	38.9	Very low	42.6	Very low	132 Å²	132	107.5 Å²	107.5	71%	0.706	55%	0.548	S	S	*	.	H	α-helix	trans	-72.6	-26.4	177.6	-87.5	-7.4	0	0	0	113.2	H113	H113-N115 PolarHBondContact O-N 3.18Å
116	E	41.8	Very low	43.7	Very low	99 Å²	99	106.6 Å²	106.6	46%	0.463	55%	0.547	S	S	.	.	H	α-helix	trans	-88	-29.7	178	-147.3	-169.9	147.9	0	0	112.1	H113 I114 L118 N119 K120	H113-E116 IonicContact ND1-OE2 3.79Å; H113-E116 PolarHBondContact O-N 3.34Å; I114-E116 VanDerWaalsContact C-N 3.34Å; E116-L118 VanDerWaalsContact C-N 3.3Å; E116-L118 PolarHBondContact O-N 3.24Å; E116-N119 PolarHBondContact O-N 3.15Å; E116-K120 IonicContact OE1-NZ 2.8Å; E116-K120 PolarHBondContact OE1-NZ 3.4Å
117	M	37.2	Very low	45.1	Very low	73 Å²	73	104.2 Å²	104.2	36%	0.36	54%	0.539	S	S	.	.	H	α-helix	trans	-70.7	-20.5	179.1	-72.9	-174.7	80.1	0	0	113.9	H113 N119 I125	H113-M117 WeakPolarHBondContact O-CB 3.43Å; H113-M117 VanDerWaalsContact O-CG 3.28Å; H113-M117 WeakPolarHBondContact O-CG 3.3Å; H113-M117 PolarHBondContact O-N 3.08Å; M117-N119 PolarHBondContact O-N 3.23Å; M117-I125 HydrophobicContact CE-CD1 3.9Å; M117-I125 HydrophobicContact CE-CG1 4.24Å; M117-I125 HydrophobicContact CE-CG2 3.67Å
118	L	42.8	Very low	46.7	Very low	137 Å²	137	101.6 Å²	101.6	72%	0.717	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.1	175.4	-81.6	166.5	0	0	0	113.5	E116	E116-L118 VanDerWaalsContact C-N 3.3Å; E116-L118 PolarHBondContact O-N 3.24Å
119	N	44.2	Very low	48.4	Very low	152 Å²	152	99.3 Å²	99.3	81%	0.813	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	3.5	-176.6	-75.9	-16.2	0	0	0	114.7	E116 M117	E116-N119 PolarHBondContact O-N 3.15Å; M117-N119 PolarHBondContact O-N 3.23Å
120	K	44.7	Very low	49.9	Very low	92 Å²	92	103.4 Å²	103.4	40%	0.4	53%	0.533	S	S	.	.	S	Bend	trans	-108.8	140.7	177.3	-81.9	170	176	164.9	0	111.4	E116	E116-K120 IonicContact OE1-NZ 2.8Å; E116-K120 PolarHBondContact OE1-NZ 3.4Å
121	S	47.4	Very low	51.3	Low	58 Å²	58	104.4 Å²	104.4	41%	0.406	54%	0.535	S	S	.	.			trans	-66.4	147.4	-176.9	76.2	0	0	0	0	110.7	S123 D124 I125	S121-S123 PolarHBondContact O-N 2.96Å; S121-S123 PolarHBondContact OG-OG 3.04Å; S121-D124 PolarHBondContact O-N 3.47Å; S121-D124 VanDerWaalsContact OG-CG 3.23Å; S121-D124 PolarHBondContact OG-OD2 2.97Å; S121-I125 PolarHBondContact O-N 2.91Å
122	H	50.6	Low	52.9	Low	160 Å²	160	101.9 Å²	101.9	74%	0.741	53%	0.525	S	S	*	.	H	α-helix	trans	-57.8	-25.8	-173.3	-156.8	6.2	0	0	0	113.2	Q126	H122-Q126 PolarHBondContact O-N 3.21Å
123	S	54.9	Low	54.3	Low	69 Å²	69	102.8 Å²	102.8	48%	0.483	52%	0.52	S	S	.	.	H	α-helix	trans	-70.3	-38.6	174.6	44.4	0	0	0	0	113.5	S121 Q126 I127	S121-S123 PolarHBondContact O-N 2.96Å; S121-S123 PolarHBondContact OG-OG 3.04Å; S123-Q126 PolarHBondContact O-N 3.29Å; S123-I127 WeakPolarHBondContact O-CG1 3.42Å; S123-I127 PolarHBondContact O-N 3.41Å; S123-I127 VanDerWaalsContact O-N 3.16Å
124	D	56.2	Low	55.5	Low	72 Å²	72	103.4 Å²	103.4	39%	0.385	52%	0.524	S	S	.	.	H	α-helix	trans	-69.3	-38.9	-177.3	-58.8	-33.9	0	0	0	110.5	S121 Q126 I127 D128	S121-D124 PolarHBondContact O-N 3.47Å; S121-D124 VanDerWaalsContact OG-CG 3.23Å; S121-D124 PolarHBondContact OG-OD2 2.97Å; D124-Q126 VanDerWaalsContact C-N 3.29Å; D124-Q126 PolarHBondContact O-N 3.48Å; D124-I127 PolarHBondContact O-N 3.39Å; D124-D128 PolarHBondContact O-N 3.39Å
125	I	54.1	Low	56.6	Low	36 Å²	36	105.2 Å²	105.2	19%	0.185	53%	0.53	C	S	.	.	H	α-helix	trans	-60.6	-39.5	175.1	-61.7	168.3	0	0	0	111.1	M117 S121 L129	M117-I125 HydrophobicContact CE-CD1 3.9Å; M117-I125 HydrophobicContact CE-CG1 4.24Å; M117-I125 HydrophobicContact CE-CG2 3.67Å; S121-I125 PolarHBondContact O-N 2.91Å; I125-L129 HydrophobicContact CG2-CD1 4Å; I125-L129 PolarHBondContact O-N 3Å; I125-L129 VanDerWaalsContact O-N 3.08Å
126	Q	61.2	Low	57.9	Low	144 Å²	144	102 Å²	102	67%	0.673	52%	0.517	S	S	*	.	H	α-helix	trans	-71.2	-35.1	-179	-129.2	-177	27.7	0	0	112.3	H122 S123 D124 K130	H122-Q126 PolarHBondContact O-N 3.21Å; S123-Q126 PolarHBondContact O-N 3.29Å; D124-Q126 VanDerWaalsContact C-N 3.29Å; D124-Q126 PolarHBondContact O-N 3.48Å; Q126-K130 WeakPolarHBondContact O-CB 3.5Å; Q126-K130 PolarHBondContact O-N 3.46Å; Q126-K130 VanDerWaalsContact O-N 3.13Å
127	I	69	Low	59	Low	93 Å²	93	102.5 Å²	102.5	48%	0.477	52%	0.52	S	S	.	.	H	α-helix	trans	-69.1	-45.7	176.7	-66.4	165.6	0	0	0	110	S123 D124 L129 K130 N131	S123-I127 WeakPolarHBondContact O-CG1 3.42Å; S123-I127 PolarHBondContact O-N 3.41Å; S123-I127 VanDerWaalsContact O-N 3.16Å; D124-I127 PolarHBondContact O-N 3.39Å; I127-L129 PolarHBondContact O-N 2.95Å; I127-K130 PolarHBondContact O-N 3.36Å; I127-N131 VanDerWaalsContact O-CG 3.31Å; I127-N131 PolarHBondContact O-N 2.95Å
128	D	66.7	Low	60.3	Low	90 Å²	90	104.6 Å²	104.6	48%	0.481	53%	0.532	S	S	.	.	H	α-helix	trans	-63	-41.6	178.6	-78.8	-12.5	0	0	0	112	D124 K130 N131 Q132	D124-D128 PolarHBondContact O-N 3.39Å; D128-K130 VanDerWaalsContact C-N 3.34Å; D128-K130 PolarHBondContact O-N 3.49Å; D128-N131 PolarHBondContact O-N 2.92Å; D128-Q132 PolarHBondContact O-N 2.94Å
129	L	69.5	Low	61.5	Low	112 Å²	112	104.6 Å²	104.6	59%	0.586	53%	0.528	S	S	*	.	H	α-helix	trans	-61.3	-41.8	174.1	-109.9	112.9	0	0	0	112.3	I125 I127 Q133	I125-L129 HydrophobicContact CG2-CD1 4Å; I125-L129 PolarHBondContact O-N 3Å; I125-L129 VanDerWaalsContact O-N 3.08Å; I127-L129 PolarHBondContact O-N 2.95Å; L129-Q133 WeakPolarHBondContact O-CB 3.19Å; L129-Q133 PolarHBondContact O-N 3.11Å
130	K	70.7	Confident	62.7	Low	142 Å²	142	103.2 Å²	103.2	62%	0.617	52%	0.515	S	S	*	.	H	α-helix	trans	-68.9	-37.6	-179.8	-171.2	175.5	180	177.6	0	111.8	Q126 I127 D128 Q133 M134	Q126-K130 WeakPolarHBondContact O-CB 3.5Å; Q126-K130 PolarHBondContact O-N 3.46Å; Q126-K130 VanDerWaalsContact O-N 3.13Å; I127-K130 PolarHBondContact O-N 3.36Å; D128-K130 VanDerWaalsContact C-N 3.34Å; D128-K130 PolarHBondContact O-N 3.49Å; K130-Q133 PolarHBondContact O-N 2.76Å; K130-M134 WeakPolarHBondContact O-CB 3.44Å; K130-M134 PolarHBondContact O-N 2.68Å
131	N	69.6	Low	63.4	Low	75 Å²	75	101 Å²	101	40%	0.401	51%	0.514	S	S	.	.	H	α-helix	trans	-66.7	-43.9	176	-71.6	-16.6	0	0	0	111.3	I127 D128 Q133 M134 E135	I127-N131 VanDerWaalsContact O-CG 3.31Å; I127-N131 PolarHBondContact O-N 2.95Å; D128-N131 PolarHBondContact O-N 2.92Å; N131-Q133 VanDerWaalsContact C-N 3.33Å; N131-Q133 PolarHBondContact O-N 2.8Å; N131-M134 PolarHBondContact O-N 3.13Å; N131-E135 PolarHBondContact O-N 3.33Å
132	Q	70	Confident	63.8	Low	126 Å²	126	103.2 Å²	103.2	59%	0.589	52%	0.518	S	S	*	.	H	α-helix	trans	-61.1	-41.1	173.9	-82	-176.4	-1.5	0	0	112.5	D128 E135 S136	D128-Q132 PolarHBondContact O-N 2.94Å; Q132-E135 PolarHBondContact O-N 2.76Å; Q132-S136 WeakPolarHBondContact O-CB 3.37Å; Q132-S136 PolarHBondContact O-N 2.88Å; Q132-S136 PolarHBondContact O-OG 2.89Å
133	Q	69.4	Low	64.4	Low	113 Å²	113	99.4 Å²	99.4	53%	0.528	50%	0.499	S	S	.	.	H	α-helix	trans	-62.4	-44.9	176.2	-170.7	178	-11	0	0	111	L129 K130 N131 S136 E137	L129-Q133 WeakPolarHBondContact O-CB 3.19Å; L129-Q133 PolarHBondContact O-N 3.11Å; K130-Q133 PolarHBondContact O-N 2.76Å; N131-Q133 VanDerWaalsContact C-N 3.33Å; N131-Q133 PolarHBondContact O-N 2.8Å; Q133-S136 PolarHBondContact O-N 2.94Å; Q133-S136 PolarHBondContact O-OG 3.4Å; Q133-E137 PolarHBondContact NE2-OE1 3.38Å; Q133-E137 WeakPolarHBondContact O-CG 3.37Å; Q133-E137 PolarHBondContact O-N 2.93Å
134	M	64.2	Low	64.5	Low	95 Å²	95	99.6 Å²	99.6	47%	0.468	50%	0.495	S	S	.	.	H	α-helix	trans	-63.4	-42.7	179.1	-164.5	-174.6	-46.2	0	0	112.7	K130 N131 S136 E137 L138	K130-M134 WeakPolarHBondContact O-CB 3.44Å; K130-M134 PolarHBondContact O-N 2.68Å; N131-M134 PolarHBondContact O-N 3.13Å; M134-S136 VanDerWaalsContact C-N 3.35Å; M134-E137 PolarHBondContact O-N 2.89Å; M134-L138 WeakPolarHBondContact O-CB 3.36Å; M134-L138 PolarHBondContact O-N 2.99Å
135	E	65.6	Low	64.4	Low	140 Å²	140	100.3 Å²	100.3	65%	0.654	50%	0.497	S	S	*	.	H	α-helix	trans	-61.6	-42.5	174.4	-79.1	-176.2	160.6	0	0	111.6	N131 Q132 E137 L138 E139	N131-E135 PolarHBondContact O-N 3.33Å; Q132-E135 PolarHBondContact O-N 2.76Å; E135-E137 PolarHBondContact O-N 3.32Å; E135-L138 PolarHBondContact O-N 3.22Å; E135-E139 WeakPolarHBondContact O-CB 3.34Å; E135-E139 PolarHBondContact O-N 3.42Å
136	S	66.4	Low	64.5	Low	63 Å²	63	102.9 Å²	102.9	44%	0.441	51%	0.511	S	S	.	.	H	α-helix	trans	-66.5	-36.2	178.5	73.5	0	0	0	0	113.4	Q132 Q133 M134 F140	Q132-S136 WeakPolarHBondContact O-CB 3.37Å; Q132-S136 PolarHBondContact O-N 2.88Å; Q132-S136 PolarHBondContact O-OG 2.89Å; Q133-S136 PolarHBondContact O-N 2.94Å; Q133-S136 PolarHBondContact O-OG 3.4Å; M134-S136 VanDerWaalsContact C-N 3.35Å; S136-F140 WeakPolarHBondContact O-CB 3.21Å; S136-F140 PolarHBondContact O-N 2.58Å
137	E	64.2	Low	64.6	Low	111 Å²	111	97 Å²	97	52%	0.519	49%	0.486	S	S	.	.	H	α-helix	trans	-68.6	-38.8	174.9	-74	175.3	-168.3	0	0	111.3	Q133 M134 E135 F140 A141	Q133-E137 PolarHBondContact NE2-OE1 3.38Å; Q133-E137 WeakPolarHBondContact O-CG 3.37Å; Q133-E137 PolarHBondContact O-N 2.93Å; M134-E137 PolarHBondContact O-N 2.89Å; E135-E137 PolarHBondContact O-N 3.32Å; E137-F140 PolarHBondContact O-N 3.06Å; E137-A141 WeakPolarHBondContact O-CB 3.31Å; E137-A141 PolarHBondContact O-N 3.37Å
138	L	63.9	Low	63.9	Low	116 Å²	116	93.4 Å²	93.4	61%	0.607	47%	0.468	S	S	*	.	H	α-helix	trans	-66.5	-42.4	174.6	-109.2	145.2	0	0	0	112.2	M134 E135 A141 H142	M134-L138 WeakPolarHBondContact O-CB 3.36Å; M134-L138 PolarHBondContact O-N 2.99Å; E135-L138 PolarHBondContact O-N 3.22Å; L138-A141 PolarHBondContact O-N 3.06Å; L138-H142 WeakPolarHBondContact O-CB 3.4Å; L138-H142 PolarHBondContact O-N 2.74Å
139	E	68.9	Low	63.4	Low	138 Å²	138	94.7 Å²	94.7	65%	0.645	47%	0.471	S	S	*	.	H	α-helix	trans	-64.5	-41.4	175.7	-168.2	-179.5	179.8	0	0	111.1	E135 H142 K143	E135-E139 WeakPolarHBondContact O-CB 3.34Å; E135-E139 PolarHBondContact O-N 3.42Å; E139-H142 PolarHBondContact O-N 3.31Å; E139-K143 WeakPolarHBondContact O-CB 3.45Å; E139-K143 PolarHBondContact O-N 2.9Å
140	F	69.6	Low	62.9	Low	122 Å²	122	95.7 Å²	95.7	54%	0.535	47%	0.473	S	S	.	.	H	α-helix	trans	-60.6	-47.6	173.5	177.1	-99.6	0	0	0	112	S136 E137 H142 K143 L144 M151	S136-F140 WeakPolarHBondContact O-CB 3.21Å; S136-F140 PolarHBondContact O-N 2.58Å; E137-F140 PolarHBondContact O-N 3.06Å; F140-H142 VanDerWaalsContact C-N 3.33Å; F140-H142 PolarHBondContact O-N 2.91Å; F140-K143 PolarHBondContact O-N 3.21Å; F140-L144 HydrophobicContact CE1-CD2 4.27Å; F140-L144 WeakPolarHBondContact O-CB 3.41Å; F140-L144 PolarHBondContact O-N 3.45Å; F140-M151 HydrophobicContact CD2-SD 4.01Å; F140-M151 HydrophobicContact CE2-CE 4.39Å; F140-M151 HydrophobicContact CE2-SD 3.8Å
141	A	59.6	Low	62.4	Low	45 Å²	45	91.6 Å²	91.6	37%	0.372	46%	0.457	S	S	.	.	H	α-helix	trans	-61.4	-42	176.2	0	0	0	0	0	111.5	E137 L138 K143 L144 M145	E137-A141 WeakPolarHBondContact O-CB 3.31Å; E137-A141 PolarHBondContact O-N 3.37Å; L138-A141 PolarHBondContact O-N 3.06Å; A141-K143 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 3.09Å; A141-L144 PolarHBondContact O-N 3.44Å; A141-M145 VanDerWaalsContact O-CB 3.28Å; A141-M145 WeakPolarHBondContact O-CB 3.4Å; A141-M145 WeakPolarHBondContact O-CG 3.41Å; A141-M145 PolarHBondContact O-N 3.28Å
142	H	55.7	Low	61.4	Low	106 Å²	106	91.1 Å²	91.1	49%	0.491	47%	0.469	S	S	.	.	H	α-helix	trans	-60.7	-43.3	176.9	-172.4	-92.2	0	0	0	111.9	L138 E139 F140 M145 N146	L138-H142 WeakPolarHBondContact O-CB 3.4Å; L138-H142 PolarHBondContact O-N 2.74Å; E139-H142 PolarHBondContact O-N 3.31Å; F140-H142 VanDerWaalsContact C-N 3.33Å; F140-H142 PolarHBondContact O-N 2.91Å; H142-M145 PolarHBondContact O-N 2.8Å; H142-N146 PolarHBondContact CE1-ND2 2.91Å; H142-N146 PolarHBondContact NE2-ND2 3.42Å; H142-N146 VanDerWaalsContact NE2-ND2 3.14Å; H142-N146 PolarHBondContact O-N 3.23Å
143	K	62.3	Low	60	Low	79 Å²	79	89.1 Å²	89.1	34%	0.343	46%	0.462	S	S	.	.	H	α-helix	trans	-70.4	-39.7	179.2	-150.4	168.3	-168.3	170.1	0	112.6	E139 F140 A141 M145 S147 E150 M151	E139-K143 WeakPolarHBondContact O-CB 3.45Å; E139-K143 PolarHBondContact O-N 2.9Å; F140-K143 PolarHBondContact O-N 3.21Å; A141-K143 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 3.09Å; K143-M145 VanDerWaalsContact C-N 3.28Å; K143-M145 PolarHBondContact O-N 2.59Å; K143-S147 CarbonylContact O-C 3.52Å; K143-S147 WeakPolarHBondContact O-CA 3.45Å; K143-S147 PolarHBondContact O-N 3.21Å; K143-E150 WeakPolarHBondContact CE-OE2 3.11Å; K143-E150 IonicContact NZ-OE2 3.21Å; K143-M151 HydrophobicContact CB-CG 4.46Å; K143-M151 HydrophobicContact CB-SD 4.1Å; K143-M151 HydrophobicContact CD-CG 4.05Å; K143-M151 HydrophobicContact CD-SD 4.47Å; K143-M151 HydrophobicContact CG-CG 3.98Å; K143-M151 HydrophobicContact CG-SD 4.27Å
144	L	57.7	Low	58.5	Low	74 Å²	74	87.4 Å²	87.4	39%	0.387	46%	0.463	S	S	.	.	H	α-helix	trans	-60.6	-37.1	172.2	-172.8	63.8	0	0	0	112.7	F140 A141 M151 L153	F140-L144 HydrophobicContact CE1-CD2 4.27Å; F140-L144 WeakPolarHBondContact O-CB 3.41Å; F140-L144 PolarHBondContact O-N 3.45Å; A141-L144 PolarHBondContact O-N 3.44Å; L144-M151 HydrophobicContact CB-CE 3.64Å; L144-M151 HydrophobicContact CD1-CE 3.46Å; L144-M151 VanDerWaalsContact CD1-CE 3.46Å; L144-M151 HydrophobicContact CG-CE 4.15Å; L144-L153 HydrophobicContact CD1-CD1 3.71Å
145	M	55	Low	57.6	Low	87 Å²	87	88.7 Å²	88.7	43%	0.429	47%	0.471	S	S	.	.	H	α-helix	trans	-82.5	-34.8	-173.8	-70.1	-69.9	-70.5	0	0	113.6	A141 H142 K143 L199	A141-M145 VanDerWaalsContact O-CB 3.28Å; A141-M145 WeakPolarHBondContact O-CB 3.4Å; A141-M145 WeakPolarHBondContact O-CG 3.41Å; A141-M145 PolarHBondContact O-N 3.28Å; H142-M145 PolarHBondContact O-N 2.8Å; K143-M145 VanDerWaalsContact C-N 3.28Å; K143-M145 PolarHBondContact O-N 2.59Å; M145-L199 HydrophobicContact CE-CD2 4.36Å
146	N	56.3	Low	56.4	Low	90 Å²	90	89.6 Å²	89.6	48%	0.481	48%	0.475	S	S	.	.	H	α-helix	trans	-110.1	-28.5	-172.1	-67.5	-32.6	0	0	0	114.5	H142	H142-N146 PolarHBondContact CE1-ND2 2.91Å; H142-N146 PolarHBondContact NE2-ND2 3.42Å; H142-N146 VanDerWaalsContact NE2-ND2 3.14Å; H142-N146 PolarHBondContact O-N 3.23Å
147	S	62.2	Low	55	Low	21 Å²	21	89.5 Å²	89.5	15%	0.147	48%	0.484	C	S	.	.			trans	-143.8	59.9	-175	57.6	0	0	0	0	112.1	K143 E149 E150	K143-S147 CarbonylContact O-C 3.52Å; K143-S147 WeakPolarHBondContact O-CA 3.45Å; K143-S147 PolarHBondContact O-N 3.21Å; S147-E149 PolarHBondContact O-N 3.23Å; S147-E149 VanDerWaalsContact O-N 3.11Å; S147-E150 WeakPolarHBondContact O-CB 3.15Å; S147-E150 PolarHBondContact O-N 3.32Å; S147-E150 PolarHBondContact OG-OE2 3.34Å
148	P	54.6	Low	53.4	Low	16 Å²	16	94.8 Å²	94.8	10%	0.104	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-57.5	-28.2	178.2	26.2	-34.3	0	0	0	112	E150 M151 G152 L153 L155	P148-E150 VanDerWaalsContact C-N 3.3Å; P148-E150 PolarHBondContact O-N 3Å; P148-M151 PolarHBondContact O-N 3.44Å; P148-G152 PolarHBondContact O-N 3.37Å; P148-L153 CarbonylContact C-O 3.59Å; P148-L153 VanDerWaalsContact C-O 3.28Å; P148-L153 HydrophobicContact CB-CB 4.01Å; P148-L153 WeakPolarHBondContact O-CA 3.38Å; P148-L153 WeakPolarHBondContact O-CB 3.36Å; P148-L153 PolarHBondContact O-N 2.99Å; P148-L155 HydrophobicContact CB-CD1 4.19Å; P148-L155 HydrophobicContact CG-CD1 4.08Å
149	E	56.2	Low	51.9	Low	118 Å²	118	97 Å²	97	55%	0.551	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-61.6	-34.3	174.9	-54.5	95.9	-150.2	0	0	113	S147 M151 G152	S147-E149 PolarHBondContact O-N 3.23Å; S147-E149 VanDerWaalsContact O-N 3.11Å; E149-M151 PolarHBondContact O-N 3.07Å; E149-G152 PolarHBondContact O-N 3.32Å
150	E	59.1	Low	50.1	Low	132 Å²	132	96.5 Å²	96.5	62%	0.617	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-68.1	-18.4	177.2	-68.8	-178	160.7	0	0	112.8	K143 S147 P148	K143-E150 WeakPolarHBondContact CE-OE2 3.11Å; K143-E150 IonicContact NZ-OE2 3.21Å; S147-E150 WeakPolarHBondContact O-CB 3.15Å; S147-E150 PolarHBondContact O-N 3.32Å; S147-E150 PolarHBondContact OG-OE2 3.34Å; P148-E150 VanDerWaalsContact C-N 3.3Å; P148-E150 PolarHBondContact O-N 3Å
151	M	60	Low	48.3	Very low	57 Å²	57	100.2 Å²	100.2	28%	0.281	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-94.8	4.9	172.2	-60.9	-162.9	-59.1	0	0	112.9	F140 K143 L144 P148 E149 L153	F140-M151 HydrophobicContact CD2-SD 4.01Å; F140-M151 HydrophobicContact CE2-CE 4.39Å; F140-M151 HydrophobicContact CE2-SD 3.8Å; K143-M151 HydrophobicContact CB-CG 4.46Å; K143-M151 HydrophobicContact CB-SD 4.1Å; K143-M151 HydrophobicContact CD-CG 4.05Å; K143-M151 HydrophobicContact CD-SD 4.47Å; K143-M151 HydrophobicContact CG-CG 3.98Å; K143-M151 HydrophobicContact CG-SD 4.27Å; L144-M151 HydrophobicContact CB-CE 3.64Å; L144-M151 HydrophobicContact CD1-CE 3.46Å; L144-M151 VanDerWaalsContact CD1-CE 3.46Å; L144-M151 HydrophobicContact CG-CE 4.15Å; P148-M151 PolarHBondContact O-N 3.44Å; E149-M151 PolarHBondContact O-N 3.07Å; M151-L153 HydrophobicContact CB-CG 4.46Å; M151-L153 HydrophobicContact CE-CD1 3.95Å; M151-L153 PolarHBondContact O-N 3.5Å
152	G	48.5	Very low	47.1	Very low	65 Å²	65	103.4 Å²	103.4	67%	0.67	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	10	-174.5	0	0	0	0	0	113.9	P148 E149 S154	P148-G152 PolarHBondContact O-N 3.37Å; E149-G152 PolarHBondContact O-N 3.32Å; G152-S154 PolarHBondContact O-N 3.41Å
153	L	41.5	Very low	45.8	Very low	83 Å²	83	105.8 Å²	105.8	44%	0.435	56%	0.559	S	S	.	*			trans	-88.4	79.7	172	-59.5	175.7	0	0	0	108.4	L144 P148 M151 L155	L144-L153 HydrophobicContact CD1-CD1 3.71Å; P148-L153 CarbonylContact C-O 3.59Å; P148-L153 VanDerWaalsContact C-O 3.28Å; P148-L153 HydrophobicContact CB-CB 4.01Å; P148-L153 WeakPolarHBondContact O-CA 3.38Å; P148-L153 WeakPolarHBondContact O-CB 3.36Å; P148-L153 PolarHBondContact O-N 2.99Å; M151-L153 HydrophobicContact CB-CG 4.46Å; M151-L153 HydrophobicContact CE-CD1 3.95Å; M151-L153 PolarHBondContact O-N 3.5Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.12Å
154	S	36.3	Very low	44.4	Very low	77 Å²	77	104.4 Å²	104.4	54%	0.538	56%	0.559	S	S	.	*			trans	-70.3	93.3	166.3	-162.6	0	0	0	0	107.9	G152 E156	G152-S154 PolarHBondContact O-N 3.41Å; S154-E156 PolarHBondContact O-N 2.85Å; S154-E156 PolarHBondContact OG-O 3.35Å
155	L	45.7	Very low	43.5	Very low	122 Å²	122	110 Å²	110	64%	0.639	58%	0.576	S	S	*	*	S	Bend	trans	-70.7	-16.9	172.7	-68.8	173	0	0	0	111.6	P148 L153 G157	P148-L155 HydrophobicContact CB-CD1 4.19Å; P148-L155 HydrophobicContact CG-CD1 4.08Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.12Å; L155-G157 VanDerWaalsContact C-N 3.32Å; L155-G157 PolarHBondContact O-N 3.49Å
156	E	40.9	Very low	42.8	Very low	159 Å²	159	106.5 Å²	106.5	74%	0.743	56%	0.56	S	S	*	*	S	Bend	trans	-86	80.1	163.2	-63.6	-177.3	177.1	0	0	107.6	S154 R158	S154-E156 PolarHBondContact O-N 2.85Å; S154-E156 PolarHBondContact OG-O 3.35Å; E156-R158 PolarHBondContact O-N 3.09Å
157	G	36.4	Very low	42.3	Very low	62 Å²	62	108.3 Å²	108.3	64%	0.639	57%	0.565	S	S	*	*			trans	-60.5	122	168.3	0	0	0	0	0	108.6	L155	L155-G157 VanDerWaalsContact C-N 3.32Å; L155-G157 PolarHBondContact O-N 3.49Å
158	R	31.4	Very low	41.4	Very low	222 Å²	222	108.4 Å²	108.4	84%	0.838	57%	0.565	S	S	*	*			trans	-42.3	148.5	166.9	-68.1	179.9	-178.1	179.4	-1.1	110.1	E156 N160	E156-R158 PolarHBondContact O-N 3.09Å; R158-N160 PolarHBondContact O-N 2.93Å
159	D	32.9	Very low	40.8	Very low	161 Å²	161	110.9 Å²	110.9	86%	0.861	58%	0.577	S	S	*	*	S	Bend	trans	-57.7	47.3	174.7	-65.3	-48.3	0	0	0	114.7
160	N	31.1	Very low	40.1	Very low	128 Å²	128	106.1 Å²	106.1	68%	0.684	56%	0.556	S	S	*	*			trans	-83	118.2	162.2	-69.7	-5.2	0	0	0	105.3	R158 V162	R158-N160 PolarHBondContact O-N 2.93Å; N160-V162 PolarHBondContact O-N 3.21Å
161	E	30.3	Very low	39.2	Very low	200 Å²	200	108.1 Å²	108.1	94%	0.935	57%	0.565	S	S	*	*			trans	-57.4	67	173.6	-62.4	177.4	150	0	0	111.1	E163	E161-E163 PolarHBondContact O-N 2.9Å
162	V	35	Very low	38.3	Very low	112 Å²	112	109.1 Å²	109.1	68%	0.679	58%	0.576	S	S	*	*			trans	-70.4	114	163.5	-178.9	0	0	0	0	104.5	N160 C164	N160-V162 PolarHBondContact O-N 3.21Å; V162-C164 VanDerWaalsContact C-N 3.31Å; V162-C164 PolarHBondContact O-N 2.85Å; V162-C164 PolarHBondContact O-SG 3.41Å
163	E	28.6	Very low	38.2	Very low	156 Å²	156	108.6 Å²	108.6	73%	0.729	56%	0.562	S	S	*	*			trans	-41.2	96.4	170.8	-73.8	175	152.2	0	0	109.3	E161 Y165	E161-E163 PolarHBondContact O-N 2.9Å; E163-Y165 PolarHBondContact O-N 3.05Å; E163-Y165 VanDerWaalsContact O-N 3.16Å
164	C	32.6	Very low	38.8	Very low	51 Å²	51	109 Å²	109	35%	0.345	57%	0.567	S	S	.	*			trans	-80.7	101.2	-178.4	-76.9	0	0	0	0	106.3	V162 V166	V162-C164 VanDerWaalsContact C-N 3.31Å; V162-C164 PolarHBondContact O-N 2.85Å; V162-C164 PolarHBondContact O-SG 3.41Å; C164-V166 PolarHBondContact O-N 3.08Å
165	Y	40	Very low	39.9	Very low	190 Å²	190	106.5 Å²	106.5	75%	0.745	55%	0.548	S	S	*	.			trans	-58.9	107.8	165.3	-60.9	-82.8	0	0	0	107.6	E163 Q167	E163-Y165 PolarHBondContact O-N 3.05Å; E163-Y165 VanDerWaalsContact O-N 3.16Å; Y165-Q167 PolarHBondContact O-N 2.69Å
166	V	38.4	Very low	41.1	Very low	15 Å²	15	101.2 Å²	101.2	9%	0.091	52%	0.521	C	S	.	.			trans	-68.8	126.2	166.6	-178.3	0	0	0	0	105.7	C164 T168 L175 I180 D183 F618	C164-V166 PolarHBondContact O-N 3.08Å; V166-T168 VanDerWaalsContact C-N 3.27Å; V166-T168 HydrophobicContact CG1-CG2 3.83Å; V166-T168 PolarHBondContact O-N 2.8Å; V166-L175 HydrophobicContact CB-CD1 3.42Å; V166-L175 VanDerWaalsContact CB-CD1 3.42Å; V166-L175 HydrophobicContact CG1-CD1 3.66Å; V166-L175 HydrophobicContact CG2-CD1 3.41Å; V166-L175 VanDerWaalsContact CG2-CD1 3.41Å; V166-I180 HydrophobicContact CG2-CG1 4.02Å; V166-D183 HydrophobicContact CG1-CB 3.82Å; V166-F618 HydrophobicContact CG1-CZ 4.26Å
167	Q	46	Very low	42.5	Very low	127 Å²	127	102.1 Å²	102.1	59%	0.593	52%	0.523	S	S	*	.			trans	-76.7	87.4	173.2	-83.7	176.3	-26.3	0	0	107.4	Y165 R621	Y165-Q167 PolarHBondContact O-N 2.69Å; Q167-R621 VanDerWaalsContact CB-NH1 3.33Å; Q167-R621 PolarHBondContact O-NH1 3.38Å; Q167-R621 VanDerWaalsContact O-NH1 3.14Å
168	T	43.5	Very low	44.3	Very low	24 Å²	24	101.2 Å²	101.2	15%	0.147	51%	0.507	C	S	.	.			trans	-116.4	146.1	164.9	48.5	0	0	0	0	109.8	V166 C170 D617 F618	V166-T168 VanDerWaalsContact C-N 3.27Å; V166-T168 HydrophobicContact CG1-CG2 3.83Å; V166-T168 PolarHBondContact O-N 2.8Å; T168-C170 VanDerWaalsContact C-N 3.25Å; T168-C170 WeakPolarHBondContact CB-O 3.47Å; T168-C170 PolarHBondContact OG1-O 2.82Å; T168-D617 WeakPolarHBondContact CA-OD2 3.47Å; T168-D617 WeakPolarHBondContact CB-OD2 3.42Å; T168-F618 HydrophobicContact CG2-CE1 4.46Å; T168-F618 HydrophobicContact CG2-CZ 4.15Å
169	I	42.6	Very low	46.1	Very low	68 Å²	68	90.7 Å²	90.7	35%	0.349	47%	0.467	S	S	.	.	S	Bend	trans	-66.8	-33.3	173.5	-64.4	175.1	0	0	0	110.4	H596 I599 L600 D617	I169-H596 HydrophobicContact CD1-CB 4.36Å; I169-H596 WeakPolarHBondContact CD1-CD2 3.38Å; I169-H596 WeakPolarHBondContact CD1-NE2 3.29Å; I169-I599 HydrophobicContact CB-CG2 4.38Å; I169-I599 HydrophobicContact CG2-CG2 4.16Å; I169-L600 HydrophobicContact CG2-CD1 4.27Å; I169-L600 HydrophobicContact CG2-CD2 3.39Å; I169-L600 HydrophobicContact CG2-CG 3.77Å; I169-D617 WeakPolarHBondContact CD1-OD1 3.19Å; I169-D617 PolarHBondContact N-OD2 2.94Å
170	C	41	Very low	47.9	Very low	18 Å²	18	85.2 Å²	85.2	12%	0.122	44%	0.437	C	S	.	.	S	Bend	trans	-80.2	134.3	171.1	-60.1	0	0	0	0	110.4	T168 I599 Q614	T168-C170 VanDerWaalsContact C-N 3.25Å; T168-C170 WeakPolarHBondContact CB-O 3.47Å; T168-C170 PolarHBondContact OG1-O 2.82Å; C170-I599 VanDerWaalsContact SG-CG2 3.57Å; C170-Q614 HydrophobicContact CB-CG 4.09Å
171	E	41.4	Very low	49.9	Very low	174 Å²	174	83.7 Å²	83.7	81%	0.813	43%	0.429	S	S	*	.			trans	-56.6	134.7	172.4	-158.7	174.4	-167.3	0	0	109.8	C173	E171-C173 PolarHBondContact O-N 3.25Å
172	P	40.4	Very low	52.2	Low	78 Å²	78	74.3 Å²	74.3	51%	0.506	39%	0.385	S	S	.	.			trans	-72.4	98.7	-168	26.1	-34	0	0	0	112.3	T174 L175	P172-T174 PolarHBondContact O-N 3.46Å; P172-L175 HydrophobicContact CB-CD1 3.91Å; P172-L175 HydrophobicContact CB-CG 4.23Å
173	C	45.4	Very low	53.9	Low	54 Å²	54	69 Å²	69	37%	0.365	35%	0.353	S	S	.	.	S	Bend	trans	-73.1	90.7	160.6	-65.9	0	0	0	0	109.4	E171 L175 L251 I610	E171-C173 PolarHBondContact O-N 3.25Å; C173-L175 PolarHBondContact O-N 3.5Å; C173-L251 VanDerWaalsContact O-CD2 3.25Å; C173-L251 WeakPolarHBondContact O-CD2 3.45Å; C173-I610 HydrophobicContact CB-CG2 4.31Å
174	T	54.6	Low	56.1	Low	90 Å²	90	66.5 Å²	66.5	55%	0.552	34%	0.337	S	S	*	.			trans	42	68.2	169	57.2	0	0	0	0	115.7	P172 R252	P172-T174 PolarHBondContact O-N 3.46Å; T174-R252 PolarHBondContact O-N 2.83Å
175	L	60.6	Low	58.3	Low	25 Å²	25	64.3 Å²	64.3	13%	0.131	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-59	139.7	176.2	-68.3	165.3	0	0	0	111.6	V166 P172 C173 A179 I180	V166-L175 HydrophobicContact CB-CD1 3.42Å; V166-L175 VanDerWaalsContact CB-CD1 3.42Å; V166-L175 HydrophobicContact CG1-CD1 3.66Å; V166-L175 HydrophobicContact CG2-CD1 3.41Å; V166-L175 VanDerWaalsContact CG2-CD1 3.41Å; P172-L175 HydrophobicContact CB-CD1 3.91Å; P172-L175 HydrophobicContact CB-CG 4.23Å; C173-L175 PolarHBondContact O-N 3.5Å; L175-A179 HydrophobicContact CB-CB 4.21Å; L175-A179 HydrophobicContact CD2-CB 3.88Å; L175-I180 HydrophobicContact CB-CG1 4.34Å
176	S	69.6	Low	59.8	Low	11 Å²	11	55.2 Å²	55.2	8%	0.077	29%	0.286	C	S	.	.			trans	-70.2	163.9	172.7	69	0	0	0	0	111.5	S178 A179 I180 I249 L250	S176-S178 PolarHBondContact O-N 3.14Å; S176-S178 PolarHBondContact OG-OG 3.06Å; S176-A179 PolarHBondContact O-N 2.8Å; S176-A179 PolarHBondContact OG-N 2.9Å; S176-A179 VanDerWaalsContact OG-N 3.16Å; S176-I180 PolarHBondContact O-N 3.35Å; S176-I249 WeakPolarHBondContact CB-O 3.21Å; S176-I249 PolarHBondContact OG-O 3.37Å; S176-L250 WeakPolarHBondContact CB-O 3.19Å; S176-L250 PolarHBondContact N-O 3.28Å; S176-L250 PolarHBondContact OG-O 2.88Å
177	K	71.2	Confident	61.4	Low	178 Å²	178	58.6 Å²	58.6	77%	0.774	30%	0.297	S	S	*	.	H	α-helix	trans	-60.3	-31.9	173	-69.9	-174.1	177.8	-173.1	0	112	N181	K177-N181 WeakPolarHBondContact O-CB 3.32Å; K177-N181 VanDerWaalsContact O-CG 3.24Å; K177-N181 PolarHBondContact O-N 2.77Å; K177-N181 PolarHBondContact O-ND2 2.85Å
178	S	74	Confident	62.7	Low	44 Å²	44	59.4 Å²	59.4	31%	0.308	30%	0.295	S	S	.	.	H	α-helix	trans	-68.5	-41.4	176.6	39.8	0	0	0	0	111.8	S176 N181 F182 I249	S176-S178 PolarHBondContact O-N 3.14Å; S176-S178 PolarHBondContact OG-OG 3.06Å; S178-N181 PolarHBondContact O-N 3.02Å; S178-F182 WeakPolarHBondContact O-CB 3.25Å; S178-F182 PolarHBondContact O-N 3.42Å; S178-I249 PolarHBondContact OG-O 3.04Å
179	A	69.2	Low	64.1	Low	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-41.3	176.4	0	0	0	0	0	112.4	L175 S176 N181 F182 D183 L250 F618	L175-A179 HydrophobicContact CB-CB 4.21Å; L175-A179 HydrophobicContact CD2-CB 3.88Å; S176-A179 PolarHBondContact O-N 2.8Å; S176-A179 PolarHBondContact OG-N 2.9Å; S176-A179 VanDerWaalsContact OG-N 3.16Å; A179-N181 PolarHBondContact O-N 2.99Å; A179-F182 PolarHBondContact O-N 3.49Å; A179-D183 PolarHBondContact O-N 3.15Å; A179-L250 HydrophobicContact CB-CD2 3.96Å; A179-F618 HydrophobicContact CB-CE2 4.33Å; A179-F618 HydrophobicContact CB-CZ 4.47Å
180	I	71.4	Confident	65.4	Low	47 Å²	47	58.7 Å²	58.7	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-41.9	175.1	-63.3	168.7	0	0	0	111.1	V166 L175 S176 F182 D183 R184	V166-I180 HydrophobicContact CG2-CG1 4.02Å; L175-I180 HydrophobicContact CB-CG1 4.34Å; S176-I180 PolarHBondContact O-N 3.35Å; I180-F182 VanDerWaalsContact C-N 3.3Å; I180-F182 PolarHBondContact O-N 2.78Å; I180-D183 PolarHBondContact O-N 3.22Å; I180-R184 WeakPolarHBondContact O-CG 3.44Å; I180-R184 PolarHBondContact O-N 3.14Å
181	N	73.1	Confident	66.8	Low	96 Å²	96	61 Å²	61	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-64.7	-36.8	176.5	-75.4	-14.7	0	0	0	111.9	K177 S178 A179 R184 L185	K177-N181 WeakPolarHBondContact O-CB 3.32Å; K177-N181 VanDerWaalsContact O-CG 3.24Å; K177-N181 PolarHBondContact O-N 2.77Å; K177-N181 PolarHBondContact O-ND2 2.85Å; S178-N181 PolarHBondContact O-N 3.02Å; A179-N181 PolarHBondContact O-N 2.99Å; N181-R184 WeakPolarHBondContact O-CB 3.18Å; N181-R184 PolarHBondContact O-N 3.48Å; N181-L185 PolarHBondContact O-N 3.49Å
182	F	77.6	Confident	68.2	Low	2 Å²	2	53 Å²	53	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-67.4	-44.6	175.7	-172.9	-108.5	0	0	0	112.4	S178 A179 I180 R184 L185 L186 A236 T239 M240 F243 F618 L622	S178-F182 WeakPolarHBondContact O-CB 3.25Å; S178-F182 PolarHBondContact O-N 3.42Å; A179-F182 PolarHBondContact O-N 3.49Å; I180-F182 VanDerWaalsContact C-N 3.3Å; I180-F182 PolarHBondContact O-N 2.78Å; F182-R184 VanDerWaalsContact C-N 3.28Å; F182-R184 PolarHBondContact O-N 2.85Å; F182-L185 HydrophobicContact CD2-CD2 4.36Å; F182-L185 CarbonylContact O-C 3.58Å; F182-L185 WeakPolarHBondContact O-CA 3.45Å; F182-L185 VanDerWaalsContact O-CB 3.29Å; F182-L185 WeakPolarHBondContact O-CB 3.13Å; F182-L185 PolarHBondContact O-N 2.97Å; F182-L186 HydrophobicContact CD1-CD1 4.08Å; F182-L186 HydrophobicContact CD1-CG 4.22Å; F182-L186 HydrophobicContact CE1-CD1 3.64Å; F182-L186 HydrophobicContact CE1-CD2 3.97Å; F182-L186 HydrophobicContact CE1-CG 3.84Å; F182-L186 HydrophobicContact CE2-CD2 4.38Å; F182-L186 HydrophobicContact CZ-CD1 4.3Å; F182-L186 HydrophobicContact CZ-CD2 3.76Å; F182-L186 HydrophobicContact CZ-CG 4.1Å; F182-L186 WeakPolarHBondContact O-CG 3.06Å; F182-L186 PolarHBondContact O-N 3.12Å; F182-A236 HydrophobicContact CE2-CB 3.92Å; F182-A236 WeakPolarHBondContact CE2-O 3.49Å; F182-A236 HydrophobicContact CZ-CB 4.46Å; F182-T239 HydrophobicContact CB-CG2 4.34Å; F182-T239 HydrophobicContact CD2-CG2 3.51Å; F182-T239 HydrophobicContact CE2-CG2 4.18Å; F182-T239 HydrophobicContact CG-CG2 4.22Å; F182-M240 HydrophobicContact CE1-CE 3.65Å; F182-M240 HydrophobicContact CZ-CB 4.46Å; F182-M240 HydrophobicContact CZ-CE 3.55Å; F182-F243 HydrophobicContact CB-CE2 3.7Å; F182-F243 HydrophobicContact CB-CZ 4.05Å; F182-F243 AromaticContact CD1-CE2 3.94Å; F182-F243 HydrophobicContact CD1-CE2 3.94Å; F182-F243 HydrophobicContact CD2-CE2 4.08Å; F182-F243 AromaticContact CG-CE2 3.63Å; F182-F243 HydrophobicContact CG-CE2 3.63Å; F182-F243 HydrophobicContact CG-CZ 4.45Å; F182-F618 HydrophobicContact CD1-CB 4.26Å; F182-F618 AromaticContact CD1-CD1 3.57Å; F182-F618 HydrophobicContact CD1-CD1 3.57Å; F182-F618 HydrophobicContact CD1-CD2 4.42Å; F182-F618 AromaticContact CD1-CE1 3.95Å; F182-F618 HydrophobicContact CD1-CE1 3.95Å; F182-F618 AromaticContact CD1-CG 3.84Å; F182-F618 HydrophobicContact CD1-CG 3.84Å; F182-F618 HydrophobicContact CE1-CB 3.8Å; F182-F618 AromaticContact CE1-CD1 3.75Å; F182-F618 HydrophobicContact CE1-CD1 3.75Å; F182-F618 AromaticContact CE1-CG 3.89Å; F182-F618 HydrophobicContact CE1-CG 3.89Å; F182-L622 HydrophobicContact CZ-CD2 4.45Å
183	D	70.6	Confident	69.5	Low	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-37	173.9	177.2	68.9	0	0	0	112.2	V166 A179 I180 L185 L186 R187 F618 R621	V166-D183 HydrophobicContact CG1-CB 3.82Å; A179-D183 PolarHBondContact O-N 3.15Å; I180-D183 PolarHBondContact O-N 3.22Å; D183-L185 VanDerWaalsContact C-N 3.32Å; D183-L185 PolarHBondContact O-N 2.96Å; D183-L186 PolarHBondContact O-N 3.15Å; D183-R187 WeakPolarHBondContact O-CG 3.24Å; D183-R187 PolarHBondContact O-N 3.18Å; D183-R187 IonicContact OD2-CZ 3.79Å; D183-R187 IonicContact OD2-NE 3.73Å; D183-R187 PolarHBondContact OD2-NE 3.12Å; D183-R187 IonicContact OD2-NH2 3.89Å; D183-R187 PolarHBondContact OD2-NH2 2.91Å; D183-F618 HydrophobicContact CB-CE1 4.04Å; D183-F618 HydrophobicContact CB-CZ 4.5Å; D183-R621 IonicContact OD1-CZ 3.87Å; D183-R621 IonicContact OD1-NH1 3.87Å; D183-R621 PolarHBondContact OD1-NH1 2.88Å
184	R	75.1	Confident	70.5	Confident	104 Å²	104	49.5 Å²	49.5	39%	0.392	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-39.1	170.7	-73.1	174	178	-176	-3	111.9	I180 N181 F182 R187 R188	I180-R184 WeakPolarHBondContact O-CG 3.44Å; I180-R184 PolarHBondContact O-N 3.14Å; N181-R184 WeakPolarHBondContact O-CB 3.18Å; N181-R184 PolarHBondContact O-N 3.48Å; F182-R184 VanDerWaalsContact C-N 3.28Å; F182-R184 PolarHBondContact O-N 2.85Å; R184-R187 PolarHBondContact O-N 2.84Å; R184-R188 VanDerWaalsContact O-CG 3.3Å; R184-R188 WeakPolarHBondContact O-CG 3.47Å; R184-R188 PolarHBondContact O-N 3.49Å
185	L	78.3	Confident	71.3	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-45.6	175.7	-178.3	62	0	0	0	111.2	N181 F182 D183 R187 R188 I189 L232 E235 A236	N181-L185 PolarHBondContact O-N 3.49Å; F182-L185 HydrophobicContact CD2-CD2 4.36Å; F182-L185 CarbonylContact O-C 3.58Å; F182-L185 WeakPolarHBondContact O-CA 3.45Å; F182-L185 VanDerWaalsContact O-CB 3.29Å; F182-L185 WeakPolarHBondContact O-CB 3.13Å; F182-L185 PolarHBondContact O-N 2.97Å; D183-L185 VanDerWaalsContact C-N 3.32Å; D183-L185 PolarHBondContact O-N 2.96Å; L185-R187 PolarHBondContact O-N 3.42Å; L185-R188 WeakPolarHBondContact O-CB 3.38Å; L185-R188 PolarHBondContact O-N 3.2Å; L185-R188 VanDerWaalsContact O-N 3.09Å; L185-I189 HydrophobicContact CG-CD1 4.46Å; L185-I189 WeakPolarHBondContact O-CG1 3.2Å; L185-I189 PolarHBondContact O-N 3.39Å; L185-L232 HydrophobicContact CD1-CB 4.43Å; L185-L232 HydrophobicContact CD1-CD2 3.68Å; L185-E235 HydrophobicContact CD2-CB 4.24Å; L185-E235 HydrophobicContact CD2-CG 3.88Å; L185-A236 HydrophobicContact CD2-CB 3.81Å; L185-A236 HydrophobicContact CG-CB 4.3Å
186	L	72.1	Confident	71.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-44.4	174.7	-64.3	-176.4	0	0	0	111.9	F182 D183 R188 I189 D190 F618 R621 L622 L625	F182-L186 HydrophobicContact CD1-CD1 4.08Å; F182-L186 HydrophobicContact CD1-CG 4.22Å; F182-L186 HydrophobicContact CE1-CD1 3.64Å; F182-L186 HydrophobicContact CE1-CD2 3.97Å; F182-L186 HydrophobicContact CE1-CG 3.84Å; F182-L186 HydrophobicContact CE2-CD2 4.38Å; F182-L186 HydrophobicContact CZ-CD1 4.3Å; F182-L186 HydrophobicContact CZ-CD2 3.76Å; F182-L186 HydrophobicContact CZ-CG 4.1Å; F182-L186 WeakPolarHBondContact O-CG 3.06Å; F182-L186 PolarHBondContact O-N 3.12Å; D183-L186 PolarHBondContact O-N 3.15Å; L186-R188 VanDerWaalsContact C-N 3.3Å; L186-R188 PolarHBondContact O-N 3.45Å; L186-I189 HydrophobicContact CD2-CD1 4.4Å; L186-I189 WeakPolarHBondContact O-CB 3.41Å; L186-I189 PolarHBondContact O-N 3.43Å; L186-I189 VanDerWaalsContact O-N 3.12Å; L186-D190 PolarHBondContact O-N 2.92Å; L186-F618 HydrophobicContact CD1-CD1 3.84Å; L186-F618 HydrophobicContact CD1-CE1 4.42Å; L186-R621 HydrophobicContact CD1-CB 4.18Å; L186-R621 HydrophobicContact CD1-CG 4.08Å; L186-L622 HydrophobicContact CD2-CB 4.2Å; L186-L622 HydrophobicContact CD2-CD1 3.98Å; L186-L625 HydrophobicContact CB-CD1 4Å; L186-L625 HydrophobicContact CD2-CD1 4Å; L186-L625 WeakPolarHBondContact O-CD1 3.38Å
187	R	72.4	Confident	71.6	Confident	85 Å²	85	51.2 Å²	51.2	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-35.1	174.3	-75	-170.8	-94.8	-176.4	-8.8	113.2	D183 R184 L185 T191	D183-R187 WeakPolarHBondContact O-CG 3.24Å; D183-R187 PolarHBondContact O-N 3.18Å; D183-R187 IonicContact OD2-CZ 3.79Å; D183-R187 IonicContact OD2-NE 3.73Å; D183-R187 PolarHBondContact OD2-NE 3.12Å; D183-R187 IonicContact OD2-NH2 3.89Å; D183-R187 PolarHBondContact OD2-NH2 2.91Å; R184-R187 PolarHBondContact O-N 2.84Å; L185-R187 PolarHBondContact O-N 3.42Å; R187-T191 WeakPolarHBondContact O-CB 2.99Å; R187-T191 PolarHBondContact O-N 3.34Å; R187-T191 PolarHBondContact O-OG1 3.08Å
188	R	73.5	Confident	71.5	Confident	144 Å²	144	46 Å²	46	54%	0.543	23%	0.232	S	C	.	.	H	α-helix	trans	-68.1	-37.8	173.6	-71.8	170.5	-173.1	175.2	1.3	111.6	R184 L185 L186 T192 L232	R184-R188 VanDerWaalsContact O-CG 3.3Å; R184-R188 WeakPolarHBondContact O-CG 3.47Å; R184-R188 PolarHBondContact O-N 3.49Å; L185-R188 WeakPolarHBondContact O-CB 3.38Å; L185-R188 PolarHBondContact O-N 3.2Å; L185-R188 VanDerWaalsContact O-N 3.09Å; L186-R188 VanDerWaalsContact C-N 3.3Å; L186-R188 PolarHBondContact O-N 3.45Å; R188-T192 VanDerWaalsContact O-CB 3.3Å; R188-T192 WeakPolarHBondContact O-CB 3.1Å; R188-T192 PolarHBondContact O-N 3.23Å; R188-T192 PolarHBondContact O-OG1 2.96Å; R188-L232 HydrophobicContact CB-CD1 4.4Å
189	I	71.4	Confident	71.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-49.5	175.1	-66.9	166	0	0	0	109.8	L185 L186 T191 T192 N193 L232 I233 A236 L625	L185-I189 HydrophobicContact CG-CD1 4.46Å; L185-I189 WeakPolarHBondContact O-CG1 3.2Å; L185-I189 PolarHBondContact O-N 3.39Å; L186-I189 HydrophobicContact CD2-CD1 4.4Å; L186-I189 WeakPolarHBondContact O-CB 3.41Å; L186-I189 PolarHBondContact O-N 3.43Å; L186-I189 VanDerWaalsContact O-N 3.12Å; I189-T191 PolarHBondContact O-N 3.37Å; I189-T192 CarbonylContact O-C 3.57Å; I189-T192 WeakPolarHBondContact O-CA 3.29Å; I189-T192 WeakPolarHBondContact O-CB 3.31Å; I189-T192 PolarHBondContact O-N 2.81Å; I189-N193 PolarHBondContact O-N 3.48Å; I189-N193 PolarHBondContact O-OD1 2.78Å; I189-L232 HydrophobicContact CD1-CB 4.37Å; I189-L232 HydrophobicContact CG1-CB 3.65Å; I189-I233 HydrophobicContact CD1-CG1 4.09Å; I189-I233 HydrophobicContact CG1-CG1 4.34Å; I189-I233 HydrophobicContact CG2-CD1 4.26Å; I189-I233 HydrophobicContact CG2-CG1 3.95Å; I189-A236 HydrophobicContact CD1-CB 3.68Å; I189-L625 HydrophobicContact CB-CD1 4.15Å; I189-L625 HydrophobicContact CG2-CB 3.91Å; I189-L625 HydrophobicContact CG2-CD1 4.08Å; I189-L625 HydrophobicContact CG2-CD2 4.41Å; I189-L625 HydrophobicContact CG2-CG 4.37Å
190	D	69.8	Low	71.1	Confident	77 Å²	77	46.4 Å²	46.4	41%	0.412	23%	0.23	S	C	.	.	H	α-helix	trans	-55	-51.6	177.2	-175.6	16.4	0	0	0	111.9	L186 T192 N193 A194 L625	L186-D190 PolarHBondContact O-N 2.92Å; D190-T192 PolarHBondContact O-N 3.5Å; D190-N193 WeakPolarHBondContact O-CB 3.45Å; D190-N193 PolarHBondContact O-N 3.49Å; D190-N193 VanDerWaalsContact O-N 3.08Å; D190-A194 PolarHBondContact O-N 3.44Å; D190-L625 HydrophobicContact CB-CD2 3.67Å
191	T	71.7	Confident	70.8	Confident	68 Å²	68	48.7 Å²	48.7	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-57.6	-37.2	175.5	-55.4	0	0	0	0	111.8	R187 I189 R195	R187-T191 WeakPolarHBondContact O-CB 2.99Å; R187-T191 PolarHBondContact O-N 3.34Å; R187-T191 PolarHBondContact O-OG1 3.08Å; I189-T191 PolarHBondContact O-N 3.37Å; T191-R195 WeakPolarHBondContact O-CB 3.47Å; T191-R195 WeakPolarHBondContact O-CG 3.16Å; T191-R195 PolarHBondContact O-N 2.89Å
192	T	70.9	Confident	70.5	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-70.7	-41	178	-59.3	0	0	0	0	111.3	R188 I189 D190 R195 V196 M225 Q229 L232	R188-T192 VanDerWaalsContact O-CB 3.3Å; R188-T192 WeakPolarHBondContact O-CB 3.1Å; R188-T192 PolarHBondContact O-N 3.23Å; R188-T192 PolarHBondContact O-OG1 2.96Å; I189-T192 CarbonylContact O-C 3.57Å; I189-T192 WeakPolarHBondContact O-CA 3.29Å; I189-T192 WeakPolarHBondContact O-CB 3.31Å; I189-T192 PolarHBondContact O-N 2.81Å; D190-T192 PolarHBondContact O-N 3.5Å; T192-R195 PolarHBondContact O-N 3Å; T192-V196 WeakPolarHBondContact O-CG2 3.41Å; T192-V196 PolarHBondContact O-N 3.3Å; T192-M225 HydrophobicContact CG2-CE 3.81Å; T192-Q229 HydrophobicContact CG2-CB 3.76Å; T192-Q229 HydrophobicContact CG2-CG 4.22Å; T192-L232 HydrophobicContact CG2-CD1 4.43Å; T192-L232 WeakPolarHBondContact OG1-CD1 3.18Å
193	N	67.8	Low	69.9	Low	8 Å²	8	48.2 Å²	48.2	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-50.4	174	-72.7	-2.1	0	0	0	110.6	I189 D190 R195 V196 T197 Q229 L625	I189-N193 PolarHBondContact O-N 3.48Å; I189-N193 PolarHBondContact O-OD1 2.78Å; D190-N193 WeakPolarHBondContact O-CB 3.45Å; D190-N193 PolarHBondContact O-N 3.49Å; D190-N193 VanDerWaalsContact O-N 3.08Å; N193-R195 VanDerWaalsContact C-N 3.31Å; N193-R195 PolarHBondContact O-N 3.32Å; N193-V196 PolarHBondContact O-N 2.91Å; N193-V196 VanDerWaalsContact O-N 3.11Å; N193-T197 PolarHBondContact O-N 3.36Å; N193-T197 PolarHBondContact O-OG1 3.23Å; N193-Q229 WeakPolarHBondContact OD1-CG 3.48Å; N193-Q229 PolarHBondContact OD1-NE2 2.91Å; N193-L625 PolarHBondContact ND2-O 2.79Å
194	A	66.6	Low	69.5	Low	50 Å²	50	51.7 Å²	51.7	41%	0.413	26%	0.262	S	S	.	.	H	α-helix	trans	-58.1	-41.9	176.4	0	0	0	0	0	112.2	D190 T197 T198	D190-A194 PolarHBondContact O-N 3.44Å; A194-T197 PolarHBondContact O-N 3.1Å; A194-T198 WeakPolarHBondContact O-CB 3.41Å; A194-T198 PolarHBondContact O-N 3.14Å; A194-T198 PolarHBondContact O-OG1 2.93Å
195	R	70.8	Confident	68.9	Low	94 Å²	94	50.9 Å²	50.9	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-64.9	-40.6	174.6	-74.8	173.4	-175.2	-164.1	3.5	112.5	T191 T192 N193 T198 L199 M225	T191-R195 WeakPolarHBondContact O-CB 3.47Å; T191-R195 WeakPolarHBondContact O-CG 3.16Å; T191-R195 PolarHBondContact O-N 2.89Å; T192-R195 PolarHBondContact O-N 3Å; N193-R195 VanDerWaalsContact C-N 3.31Å; N193-R195 PolarHBondContact O-N 3.32Å; R195-T198 PolarHBondContact O-N 3.13Å; R195-L199 WeakPolarHBondContact O-CB 3.26Å; R195-L199 WeakPolarHBondContact O-CG 3.43Å; R195-L199 PolarHBondContact O-N 3.48Å; R195-M225 HydrophobicContact CB-CE 3.63Å; R195-M225 HydrophobicContact CG-CE 4.26Å
196	V	68.2	Low	68.1	Low	5 Å²	5	51.1 Å²	51.1	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-46.7	175.6	167	0	0	0	0	110.4	T192 N193 T198 L199 I200 L222 M225 R226	T192-V196 WeakPolarHBondContact O-CG2 3.41Å; T192-V196 PolarHBondContact O-N 3.3Å; N193-V196 PolarHBondContact O-N 2.91Å; N193-V196 VanDerWaalsContact O-N 3.11Å; V196-T198 VanDerWaalsContact C-N 3.32Å; V196-T198 PolarHBondContact O-N 3.3Å; V196-L199 PolarHBondContact O-N 3.23Å; V196-I200 HydrophobicContact CG1-CD1 3.87Å; V196-I200 VanDerWaalsContact O-CG1 3.28Å; V196-I200 WeakPolarHBondContact O-CG1 3.49Å; V196-I200 PolarHBondContact O-N 3.15Å; V196-L222 HydrophobicContact CG1-CD1 3.98Å; V196-M225 HydrophobicContact CG2-CB 4.02Å; V196-R226 HydrophobicContact CG1-CG 4.41Å; V196-R226 HydrophobicContact CG2-CG 4.47Å
197	T	67.6	Low	67.5	Low	63 Å²	63	54 Å²	54	39%	0.387	29%	0.286	S	S	.	.	H	α-helix	trans	-59.3	-43.3	175.5	-60.3	0	0	0	0	111.5	N193 A194 I200 N201	N193-T197 PolarHBondContact O-N 3.36Å; N193-T197 PolarHBondContact O-OG1 3.23Å; A194-T197 PolarHBondContact O-N 3.1Å; T197-I200 PolarHBondContact O-N 3.46Å; T197-N201 PolarHBondContact O-N 2.75Å; T197-N201 PolarHBondContact O-ND2 2.83Å
198	T	70.2	Confident	66.9	Low	68 Å²	68	56.7 Å²	56.7	42%	0.417	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-45	176.5	-56.8	0	0	0	0	111.5	A194 R195 V196 I200 N201 L202	A194-T198 WeakPolarHBondContact O-CB 3.41Å; A194-T198 PolarHBondContact O-N 3.14Å; A194-T198 PolarHBondContact O-OG1 2.93Å; R195-T198 PolarHBondContact O-N 3.13Å; V196-T198 VanDerWaalsContact C-N 3.32Å; V196-T198 PolarHBondContact O-N 3.3Å; T198-I200 VanDerWaalsContact C-N 3.33Å; T198-I200 PolarHBondContact O-N 3.15Å; T198-N201 PolarHBondContact O-N 3.3Å; T198-L202 HydrophobicContact CG2-CD1 4.13Å; T198-L202 HydrophobicContact CG2-CG 4.44Å; T198-L202 WeakPolarHBondContact O-CB 3.4Å; T198-L202 WeakPolarHBondContact O-CG 3.4Å; T198-L202 PolarHBondContact O-N 3.24Å
199	L	66.9	Low	66.9	Low	6 Å²	6	53.2 Å²	53.2	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-36.5	176.5	-76	172.1	0	0	0	112.2	M145 R195 V196 L202 C203 L218 L222 M225	M145-L199 HydrophobicContact CE-CD2 4.36Å; R195-L199 WeakPolarHBondContact O-CB 3.26Å; R195-L199 WeakPolarHBondContact O-CG 3.43Å; R195-L199 PolarHBondContact O-N 3.48Å; V196-L199 PolarHBondContact O-N 3.23Å; L199-L202 PolarHBondContact O-N 3.47Å; L199-C203 WeakPolarHBondContact O-CB 3.5Å; L199-C203 PolarHBondContact O-N 2.95Å; L199-C203 PolarHBondContact O-SG 3.38Å; L199-L218 HydrophobicContact CD2-CD2 3.88Å; L199-L222 HydrophobicContact CB-CB 4.44Å; L199-L222 HydrophobicContact CB-CD1 3.9Å; L199-M225 HydrophobicContact CD1-CB 3.98Å; L199-M225 HydrophobicContact CD1-CG 3.62Å
200	I	67.9	Low	66.9	Low	47 Å²	47	55.9 Å²	55.9	24%	0.241	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-44.9	173.7	-69.8	165.6	0	0	0	110.4	V196 T197 T198 C203 T204 L222	V196-I200 HydrophobicContact CG1-CD1 3.87Å; V196-I200 VanDerWaalsContact O-CG1 3.28Å; V196-I200 WeakPolarHBondContact O-CG1 3.49Å; V196-I200 PolarHBondContact O-N 3.15Å; T197-I200 PolarHBondContact O-N 3.46Å; T198-I200 VanDerWaalsContact C-N 3.33Å; T198-I200 PolarHBondContact O-N 3.15Å; I200-C203 PolarHBondContact O-N 3.23Å; I200-T204 PolarHBondContact O-N 3.12Å; I200-T204 PolarHBondContact O-OG1 3.27Å; I200-L222 HydrophobicContact CG1-CD1 3.89Å; I200-L222 HydrophobicContact CG1-CD2 4.1Å
201	N	64.4	Low	67.1	Low	95 Å²	95	55.7 Å²	55.7	51%	0.508	33%	0.326	S	S	.	.	H	α-helix	trans	-63.3	-44.3	177	-69.7	-21.5	0	0	0	111.4	T197 T198 T204 T205	T197-N201 PolarHBondContact O-N 2.75Å; T197-N201 PolarHBondContact O-ND2 2.83Å; T198-N201 PolarHBondContact O-N 3.3Å; N201-T204 WeakPolarHBondContact O-CB 3.36Å; N201-T204 PolarHBondContact O-N 2.76Å; N201-T205 PolarHBondContact O-N 2.95Å; N201-T205 PolarHBondContact O-OG1 3.31Å; N201-T205 VanDerWaalsContact O-OG1 3.11Å
202	L	67.7	Low	67.2	Low	77 Å²	77	55.4 Å²	55.4	40%	0.403	32%	0.319	S	S	.	.	H	α-helix	trans	-65.1	-40.8	175.6	-70.9	174.6	0	0	0	112.5	T198 L199 T204 T205 A206 L218	T198-L202 HydrophobicContact CG2-CD1 4.13Å; T198-L202 HydrophobicContact CG2-CG 4.44Å; T198-L202 WeakPolarHBondContact O-CB 3.4Å; T198-L202 WeakPolarHBondContact O-CG 3.4Å; T198-L202 PolarHBondContact O-N 3.24Å; L199-L202 PolarHBondContact O-N 3.47Å; L202-T204 VanDerWaalsContact C-N 3.25Å; L202-T204 PolarHBondContact O-N 3.4Å; L202-T205 PolarHBondContact O-N 3.32Å; L202-A206 WeakPolarHBondContact O-CB 2.86Å; L202-A206 PolarHBondContact O-N 3.12Å; L202-L218 HydrophobicContact CB-CD1 4.09Å; L202-L218 HydrophobicContact CB-CD2 4.1Å; L202-L218 HydrophobicContact CD1-CD2 4.39Å
203	C	64.8	Low	67.6	Low	11 Å²	11	60.3 Å²	60.3	7%	0.074	35%	0.349	C	S	.	.	H	α-helix	trans	-57.4	-43.7	172.4	-73.7	0	0	0	0	110.3	L199 I200 A206 I207 L218	L199-C203 WeakPolarHBondContact O-CB 3.5Å; L199-C203 PolarHBondContact O-N 2.95Å; L199-C203 PolarHBondContact O-SG 3.38Å; I200-C203 PolarHBondContact O-N 3.23Å; C203-A206 PolarHBondContact O-N 2.9Å; C203-I207 WeakPolarHBondContact O-CB 3.05Å; C203-I207 WeakPolarHBondContact O-CD1 3.39Å; C203-I207 WeakPolarHBondContact O-CG1 3.26Å; C203-I207 PolarHBondContact O-N 3.27Å; C203-L218 VanDerWaalsContact SG-CB 3.55Å
204	T	61.5	Low	67.9	Low	72 Å²	72	61.3 Å²	61.3	44%	0.442	36%	0.358	S	S	.	.	H	α-helix	trans	-62.4	-44.3	178.3	-53.4	0	0	0	0	111.1	I200 N201 L202 I207 L208	I200-T204 PolarHBondContact O-N 3.12Å; I200-T204 PolarHBondContact O-OG1 3.27Å; N201-T204 WeakPolarHBondContact O-CB 3.36Å; N201-T204 PolarHBondContact O-N 2.76Å; L202-T204 VanDerWaalsContact C-N 3.25Å; L202-T204 PolarHBondContact O-N 3.4Å; T204-I207 PolarHBondContact O-N 2.98Å; T204-L208 WeakPolarHBondContact O-CG 3.26Å; T204-L208 PolarHBondContact O-N 2.8Å; T204-L208 VanDerWaalsContact O-N 3.12Å
205	T	63	Low	68.1	Low	87 Å²	87	59.5 Å²	59.5	53%	0.534	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-42	175.9	-53.8	0	0	0	0	112.5	N201 L202 I207 L208 A209	N201-T205 PolarHBondContact O-N 2.95Å; N201-T205 PolarHBondContact O-OG1 3.31Å; N201-T205 VanDerWaalsContact O-OG1 3.11Å; L202-T205 PolarHBondContact O-N 3.32Å; T205-I207 VanDerWaalsContact C-N 3.35Å; T205-I207 PolarHBondContact O-N 2.89Å; T205-L208 WeakPolarHBondContact O-CB 3.5Å; T205-L208 PolarHBondContact O-N 3.45Å; T205-L208 VanDerWaalsContact O-N 3.15Å; T205-A209 PolarHBondContact O-N 2.69Å
206	A	60.1	Low	68.4	Low	10 Å²	10	58.9 Å²	58.9	8%	0.083	35%	0.345	C	S	.	.	H	α-helix	trans	-66.2	-36.4	177.9	0	0	0	0	0	112.2	L202 C203 L208 A209 S210 D211 A214 I215 L218	L202-A206 WeakPolarHBondContact O-CB 2.86Å; L202-A206 PolarHBondContact O-N 3.12Å; C203-A206 PolarHBondContact O-N 2.9Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-A209 CarbonylContact O-C 3.58Å; A206-A209 PolarHBondContact O-N 2.8Å; A206-S210 PolarHBondContact O-N 2.77Å; A206-D211 PolarHBondContact O-N 2.77Å; A206-A214 HydrophobicContact CB-CB 4.27Å; A206-I215 HydrophobicContact CB-CG1 3.86Å; A206-L218 HydrophobicContact CB-CD1 3.66Å
207	I	61.4	Low	68.9	Low	61 Å²	61	63.1 Å²	63.1	31%	0.313	36%	0.363	S	S	.	.	H	α-helix	trans	-60.5	-43.1	170.8	-70.2	163.1	0	0	0	110.5	L21 C203 T204 T205 A209 S210 I215	L21-I207 HydrophobicContact CD2-CG2 4.47Å; C203-I207 WeakPolarHBondContact O-CB 3.05Å; C203-I207 WeakPolarHBondContact O-CD1 3.39Å; C203-I207 WeakPolarHBondContact O-CG1 3.26Å; C203-I207 PolarHBondContact O-N 3.27Å; T204-I207 PolarHBondContact O-N 2.98Å; T205-I207 VanDerWaalsContact C-N 3.35Å; T205-I207 PolarHBondContact O-N 2.89Å; I207-A209 VanDerWaalsContact C-N 3.33Å; I207-S210 PolarHBondContact O-N 3.07Å; I207-I215 HydrophobicContact CG1-CD1 4.06Å; I207-I215 HydrophobicContact CG1-CG1 4.13Å
208	L	59.2	Low	69.3	Low	141 Å²	141	61.1 Å²	61.1	74%	0.738	35%	0.35	S	S	*	.	H	α-helix	trans	-65.4	-36.1	175.8	-67.7	170.4	0	0	0	112.2	T204 T205 A206 S210	T204-L208 WeakPolarHBondContact O-CG 3.26Å; T204-L208 PolarHBondContact O-N 2.8Å; T204-L208 VanDerWaalsContact O-N 3.12Å; T205-L208 WeakPolarHBondContact O-CB 3.5Å; T205-L208 PolarHBondContact O-N 3.45Å; T205-L208 VanDerWaalsContact O-N 3.15Å; A206-L208 VanDerWaalsContact C-N 3.32Å; L208-S210 VanDerWaalsContact C-N 3.26Å; L208-S210 PolarHBondContact O-N 2.93Å
209	A	72.2	Confident	69.6	Low	71 Å²	71	59.2 Å²	59.2	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-76.5	-8.2	175.9	0	0	0	0	0	113.9	T205 A206 I207 D211	T205-A209 PolarHBondContact O-N 2.69Å; A206-A209 CarbonylContact O-C 3.58Å; A206-A209 PolarHBondContact O-N 2.8Å; I207-A209 VanDerWaalsContact C-N 3.33Å; A209-D211 PolarHBondContact O-N 3.49Å
210	S	72.1	Confident	70.2	Confident	57 Å²	57	63.6 Å²	63.6	40%	0.399	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	23.6	-177.2	-49.3	0	0	0	0	114.7	A206 I207 L208 K212	A206-S210 PolarHBondContact O-N 2.77Å; I207-S210 PolarHBondContact O-N 3.07Å; L208-S210 VanDerWaalsContact C-N 3.26Å; L208-S210 PolarHBondContact O-N 2.93Å; S210-K212 PolarHBondContact O-N 3.36Å
211	D	73.8	Confident	70.8	Confident	73 Å²	73	62.6 Å²	62.6	39%	0.39	36%	0.359	S	S	.	.			trans	-85	103.1	179.9	-175.1	-11.3	0	0	0	111.1	A206 A209 T213 A214 I215	A206-D211 PolarHBondContact O-N 2.77Å; A209-D211 PolarHBondContact O-N 3.49Å; D211-T213 PolarHBondContact O-N 2.89Å; D211-T213 PolarHBondContact OD1-N 3.34Å; D211-T213 VanDerWaalsContact OD1-N 3.09Å; D211-T213 PolarHBondContact OD1-OG1 2.87Å; D211-A214 HydrophobicContact CB-CB 3.89Å; D211-A214 VanDerWaalsContact CG-CB 3.46Å; D211-A214 PolarHBondContact OD1-N 2.77Å; D211-A214 WeakPolarHBondContact OD2-CB 3.13Å; D211-I215 WeakPolarHBondContact O-CB 3.39Å; D211-I215 VanDerWaalsContact O-CD1 3.29Å; D211-I215 WeakPolarHBondContact O-CD1 3.44Å; D211-I215 WeakPolarHBondContact O-CG1 3.15Å; D211-I215 PolarHBondContact O-N 3.4Å
212	K	75.2	Confident	71.3	Confident	61 Å²	61	59.2 Å²	59.2	27%	0.265	34%	0.341	S	S	.	.	H	α-helix	trans	-68.3	-33.5	-175.7	-67	158.5	-172.4	170.3	0	113.3	D14 V16 S210 N216	D14-K212 IonicContact OD1-NZ 2.66Å; D14-K212 IonicContact OD2-NZ 3.46Å; D14-K212 PolarHBondContact OD2-NZ 3.09Å; V16-K212 HydrophobicContact CB-CD 4.12Å; V16-K212 HydrophobicContact CG1-CD 3.38Å; V16-K212 HydrophobicContact CG1-CG 4.2Å; S210-K212 PolarHBondContact O-N 3.36Å; K212-N216 WeakPolarHBondContact O-CB 3.37Å; K212-N216 PolarHBondContact O-N 2.99Å; K212-N216 VanDerWaalsContact O-N 3.12Å; K212-N216 PolarHBondContact O-ND2 2.79Å; K212-N216 VanDerWaalsContact O-ND2 3.13Å
213	T	78.2	Confident	71.7	Confident	110 Å²	110	58.8 Å²	58.8	68%	0.675	34%	0.335	S	S	*	.	H	α-helix	trans	-74.4	-43.4	-180	56.8	0	0	0	0	109.4	D211 N216 F217	D211-T213 PolarHBondContact O-N 2.89Å; D211-T213 PolarHBondContact OD1-N 3.34Å; D211-T213 VanDerWaalsContact OD1-N 3.09Å; D211-T213 PolarHBondContact OD1-OG1 2.87Å; T213-N216 PolarHBondContact O-N 3.01Å; T213-F217 WeakPolarHBondContact O-CB 3.49Å; T213-F217 PolarHBondContact O-N 2.81Å
214	A	74.9	Confident	72.4	Confident	28 Å²	28	67.8 Å²	67.8	23%	0.231	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-44.6	173.8	0	0	0	0	0	112.1	A206 D211 N216 F217 L218	A206-A214 HydrophobicContact CB-CB 4.27Å; D211-A214 HydrophobicContact CB-CB 3.89Å; D211-A214 VanDerWaalsContact CG-CB 3.46Å; D211-A214 PolarHBondContact OD1-N 2.77Å; D211-A214 WeakPolarHBondContact OD2-CB 3.13Å; A214-N216 PolarHBondContact O-N 2.85Å; A214-F217 PolarHBondContact O-N 3.22Å; A214-L218 VanDerWaalsContact O-CB 3.28Å; A214-L218 WeakPolarHBondContact O-CB 3.41Å; A214-L218 WeakPolarHBondContact O-CG 3.4Å; A214-L218 PolarHBondContact O-N 2.95Å
215	I	70.8	Confident	73.3	Confident	12 Å²	12	65.7 Å²	65.7	6%	0.062	35%	0.354	C	S	.	.	H	α-helix	trans	-60.4	-48.6	177.4	-67.4	160.4	0	0	0	111	T20 A206 I207 D211 F217 L218 V219	T20-I215 HydrophobicContact CG2-CB 4.36Å; T20-I215 HydrophobicContact CG2-CD1 4.33Å; T20-I215 HydrophobicContact CG2-CG2 3.62Å; A206-I215 HydrophobicContact CB-CG1 3.86Å; I207-I215 HydrophobicContact CG1-CD1 4.06Å; I207-I215 HydrophobicContact CG1-CG1 4.13Å; D211-I215 WeakPolarHBondContact O-CB 3.39Å; D211-I215 VanDerWaalsContact O-CD1 3.29Å; D211-I215 WeakPolarHBondContact O-CD1 3.44Å; D211-I215 WeakPolarHBondContact O-CG1 3.15Å; D211-I215 PolarHBondContact O-N 3.4Å; I215-F217 VanDerWaalsContact C-N 3.34Å; I215-F217 PolarHBondContact O-N 2.99Å; I215-L218 PolarHBondContact O-N 3.26Å; I215-V219 HydrophobicContact CG2-CG2 4.07Å; I215-V219 VanDerWaalsContact O-CB 3.31Å; I215-V219 WeakPolarHBondContact O-CB 3.37Å; I215-V219 WeakPolarHBondContact O-CG2 3.21Å; I215-V219 PolarHBondContact O-N 3.11Å
216	N	75.6	Confident	74	Confident	81 Å²	81	65.2 Å²	65.2	43%	0.433	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-42.8	179.7	-80.5	-39.1	0	0	0	111.9	K212 T213 A214 N220	K212-N216 WeakPolarHBondContact O-CB 3.37Å; K212-N216 PolarHBondContact O-N 2.99Å; K212-N216 VanDerWaalsContact O-N 3.12Å; K212-N216 PolarHBondContact O-ND2 2.79Å; K212-N216 VanDerWaalsContact O-ND2 3.13Å; T213-N216 PolarHBondContact O-N 3.01Å; A214-N216 PolarHBondContact O-N 2.85Å; N216-N220 WeakPolarHBondContact O-CB 3.33Å; N216-N220 VanDerWaalsContact O-CG 3.27Å; N216-N220 PolarHBondContact O-N 2.59Å; N216-N220 VanDerWaalsContact O-N 3.07Å; N216-N220 PolarHBondContact O-ND2 3.25Å
217	F	78.5	Confident	74.9	Confident	94 Å²	94	73.1 Å²	73.1	41%	0.412	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-50.1	175.4	175.9	-98.4	0	0	0	111.7	T213 A214 I215 V219 N220 S221	T213-F217 WeakPolarHBondContact O-CB 3.49Å; T213-F217 PolarHBondContact O-N 2.81Å; A214-F217 PolarHBondContact O-N 3.22Å; I215-F217 VanDerWaalsContact C-N 3.34Å; I215-F217 PolarHBondContact O-N 2.99Å; F217-V219 PolarHBondContact O-N 3.38Å; F217-N220 PolarHBondContact O-N 3.24Å; F217-S221 WeakPolarHBondContact O-CB 3.36Å; F217-S221 PolarHBondContact O-N 3.44Å; F217-S221 PolarHBondContact O-OG 3.11Å; F217-S221 VanDerWaalsContact O-OG 3.1Å
218	L	77.6	Confident	75.8	Confident	22 Å²	22	75.2 Å²	75.2	12%	0.115	38%	0.376	C	S	.	.	H	α-helix	trans	-65.4	-38.2	-178.3	-70.5	169.7	0	0	0	112.3	L199 L202 C203 A206 A214 I215 S221 L222	L199-L218 HydrophobicContact CD2-CD2 3.88Å; L202-L218 HydrophobicContact CB-CD1 4.09Å; L202-L218 HydrophobicContact CB-CD2 4.1Å; L202-L218 HydrophobicContact CD1-CD2 4.39Å; C203-L218 VanDerWaalsContact SG-CB 3.55Å; A206-L218 HydrophobicContact CB-CD1 3.66Å; A214-L218 VanDerWaalsContact O-CB 3.28Å; A214-L218 WeakPolarHBondContact O-CB 3.41Å; A214-L218 WeakPolarHBondContact O-CG 3.4Å; A214-L218 PolarHBondContact O-N 2.95Å; I215-L218 PolarHBondContact O-N 3.26Å; L218-S221 PolarHBondContact O-N 3.46Å; L218-L222 WeakPolarHBondContact O-CB 3.41Å; L218-L222 PolarHBondContact O-N 3.48Å
219	V	76.4	Confident	76.6	Confident	27 Å²	27	69.1 Å²	69.1	16%	0.164	34%	0.344	C	S	.	.	H	α-helix	trans	-66	-42.4	175.7	168.7	0	0	0	0	111.1	L27 I215 F217 L222 K223	L27-V219 HydrophobicContact CD1-CG1 3.73Å; I215-V219 HydrophobicContact CG2-CG2 4.07Å; I215-V219 VanDerWaalsContact O-CB 3.31Å; I215-V219 WeakPolarHBondContact O-CB 3.37Å; I215-V219 WeakPolarHBondContact O-CG2 3.21Å; I215-V219 PolarHBondContact O-N 3.11Å; F217-V219 PolarHBondContact O-N 3.38Å; V219-L222 PolarHBondContact O-N 3.04Å; V219-K223 WeakPolarHBondContact O-CG 3.18Å; V219-K223 PolarHBondContact O-N 3.34Å
220	N	79.4	Confident	76.8	Confident	98 Å²	98	68.7 Å²	68.7	52%	0.524	33%	0.332	S	S	.	.	H	α-helix	trans	-65.5	-42.7	176.1	-74.3	-19.9	0	0	0	111.5	N216 F217 K223 R224	N216-N220 WeakPolarHBondContact O-CB 3.33Å; N216-N220 VanDerWaalsContact O-CG 3.27Å; N216-N220 PolarHBondContact O-N 2.59Å; N216-N220 VanDerWaalsContact O-N 3.07Å; N216-N220 PolarHBondContact O-ND2 3.25Å; F217-N220 PolarHBondContact O-N 3.24Å; N220-K223 PolarHBondContact O-N 3.44Å; N220-R224 PolarHBondContact O-N 3.44Å
221	S	79	Confident	77.3	Confident	27 Å²	27	71.7 Å²	71.7	19%	0.189	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-43.1	173	-67.7	0	0	0	0	111.8	F217 L218 K223 R224 M225	F217-S221 WeakPolarHBondContact O-CB 3.36Å; F217-S221 PolarHBondContact O-N 3.44Å; F217-S221 PolarHBondContact O-OG 3.11Å; F217-S221 VanDerWaalsContact O-OG 3.1Å; L218-S221 PolarHBondContact O-N 3.46Å; S221-K223 PolarHBondContact O-N 3.37Å; S221-R224 PolarHBondContact O-N 3.25Å; S221-M225 WeakPolarHBondContact O-CB 3.28Å; S221-M225 VanDerWaalsContact O-CG 3.3Å; S221-M225 WeakPolarHBondContact O-CG 3.38Å; S221-M225 PolarHBondContact O-N 2.85Å
222	L	75.4	Confident	77.6	Confident	23 Å²	23	69 Å²	69	12%	0.12	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-42.6	176	-178.7	64.6	0	0	0	111.7	V196 L199 I200 L218 V219 M225 R226	V196-L222 HydrophobicContact CG1-CD1 3.98Å; L199-L222 HydrophobicContact CB-CB 4.44Å; L199-L222 HydrophobicContact CB-CD1 3.9Å; I200-L222 HydrophobicContact CG1-CD1 3.89Å; I200-L222 HydrophobicContact CG1-CD2 4.1Å; L218-L222 WeakPolarHBondContact O-CB 3.41Å; L218-L222 PolarHBondContact O-N 3.48Å; V219-L222 PolarHBondContact O-N 3.04Å; L222-M225 PolarHBondContact O-N 3.07Å; L222-R226 HydrophobicContact CD1-CG 4.4Å; L222-R226 WeakPolarHBondContact O-CB 3.12Å; L222-R226 WeakPolarHBondContact O-CG 3.4Å; L222-R226 PolarHBondContact O-N 3.49Å
223	K	77.5	Confident	77.7	Confident	68 Å²	68	66.3 Å²	66.3	30%	0.296	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-47.3	174	-75.5	177.3	-173.7	174.7	0	111.9	V219 N220 S221 M225 R226 R227	V219-K223 WeakPolarHBondContact O-CG 3.18Å; V219-K223 PolarHBondContact O-N 3.34Å; N220-K223 PolarHBondContact O-N 3.44Å; S221-K223 PolarHBondContact O-N 3.37Å; K223-M225 VanDerWaalsContact C-N 3.32Å; K223-M225 PolarHBondContact O-N 2.9Å; K223-R226 PolarHBondContact O-N 3.43Å; K223-R227 WeakPolarHBondContact O-CG 3.18Å; K223-R227 PolarHBondContact O-N 3.47Å
224	R	78.9	Confident	77.7	Confident	201 Å²	201	65.5 Å²	65.5	76%	0.758	31%	0.308	S	S	*	.	H	α-helix	trans	-59.6	-45.6	177.9	-173.3	-179.3	-178.8	-170.8	1.3	110.5	N220 S221 R227 K228	N220-R224 PolarHBondContact O-N 3.44Å; S221-R224 PolarHBondContact O-N 3.25Å; R224-R227 PolarHBondContact O-N 2.85Å; R224-K228 PolarHBondContact O-N 3.02Å
225	M	80.6	Confident	78.1	Confident	28 Å²	28	68.8 Å²	68.8	14%	0.138	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-39.9	178.3	-74.3	-58.4	-67.1	0	0	112.9	T192 R195 V196 L199 S221 L222 K223 R227 K228 Q229	T192-M225 HydrophobicContact CG2-CE 3.81Å; R195-M225 HydrophobicContact CB-CE 3.63Å; R195-M225 HydrophobicContact CG-CE 4.26Å; V196-M225 HydrophobicContact CG2-CB 4.02Å; L199-M225 HydrophobicContact CD1-CB 3.98Å; L199-M225 HydrophobicContact CD1-CG 3.62Å; S221-M225 WeakPolarHBondContact O-CB 3.28Å; S221-M225 VanDerWaalsContact O-CG 3.3Å; S221-M225 WeakPolarHBondContact O-CG 3.38Å; S221-M225 PolarHBondContact O-N 2.85Å; L222-M225 PolarHBondContact O-N 3.07Å; K223-M225 VanDerWaalsContact C-N 3.32Å; K223-M225 PolarHBondContact O-N 2.9Å; M225-R227 PolarHBondContact O-N 3.28Å; M225-K228 WeakPolarHBondContact O-CB 3.48Å; M225-K228 PolarHBondContact O-N 3.48Å; M225-Q229 WeakPolarHBondContact O-CB 3.32Å; M225-Q229 PolarHBondContact O-N 2.98Å
226	R	78.2	Confident	78.5	Confident	76 Å²	76	68.2 Å²	68.2	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-64.8	-37	174	-78.1	-174.4	179.6	-169	0.9	113	V196 L222 K223 Q229 N230	V196-R226 HydrophobicContact CG1-CG 4.41Å; V196-R226 HydrophobicContact CG2-CG 4.47Å; L222-R226 HydrophobicContact CD1-CG 4.4Å; L222-R226 WeakPolarHBondContact O-CB 3.12Å; L222-R226 WeakPolarHBondContact O-CG 3.4Å; L222-R226 PolarHBondContact O-N 3.49Å; K223-R226 PolarHBondContact O-N 3.43Å; R226-Q229 WeakPolarHBondContact O-CB 3.2Å; R226-Q229 PolarHBondContact O-N 2.81Å; R226-N230 PolarHBondContact O-N 3.2Å; R226-N230 PolarHBondContact O-ND2 3.16Å
227	R	78.3	Confident	78.6	Confident	177 Å²	177	66.7 Å²	66.7	67%	0.668	31%	0.308	S	S	*	.	H	α-helix	trans	-63	-46	172.3	-71	177.5	-171.2	169.9	1.3	110.8	K223 R224 M225 Q229 N230 L231	K223-R227 WeakPolarHBondContact O-CG 3.18Å; K223-R227 PolarHBondContact O-N 3.47Å; R224-R227 PolarHBondContact O-N 2.85Å; M225-R227 PolarHBondContact O-N 3.28Å; R227-Q229 VanDerWaalsContact C-N 3.35Å; R227-Q229 PolarHBondContact O-N 3.26Å; R227-N230 PolarHBondContact O-N 3.47Å; R227-L231 WeakPolarHBondContact O-CG 3.32Å; R227-L231 PolarHBondContact O-N 3.28Å
228	K	79.3	Confident	78.5	Confident	104 Å²	104	67.3 Å²	67.3	45%	0.452	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-43.5	175.3	-173.1	173.6	-178.9	172.4	0	111.9	R224 M225 N230 L231 L232	R224-K228 PolarHBondContact O-N 3.02Å; M225-K228 WeakPolarHBondContact O-CB 3.48Å; M225-K228 PolarHBondContact O-N 3.48Å; K228-N230 PolarHBondContact O-N 2.68Å; K228-L231 PolarHBondContact O-N 2.94Å; K228-L232 HydrophobicContact CG-CD1 4.08Å; K228-L232 HydrophobicContact CG-CG 4.38Å; K228-L232 VanDerWaalsContact O-CG 3.31Å; K228-L232 WeakPolarHBondContact O-CG 3.23Å; K228-L232 PolarHBondContact O-N 2.81Å
229	Q	76.7	Confident	78.5	Confident	13 Å²	13	68.2 Å²	68.2	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-56.8	-49.3	176.2	-169.3	-171.3	37.2	0	0	111.8	T192 N193 M225 R226 R227 L231 L232 I233 Q629	T192-Q229 HydrophobicContact CG2-CB 3.76Å; T192-Q229 HydrophobicContact CG2-CG 4.22Å; N193-Q229 WeakPolarHBondContact OD1-CG 3.48Å; N193-Q229 PolarHBondContact OD1-NE2 2.91Å; M225-Q229 WeakPolarHBondContact O-CB 3.32Å; M225-Q229 PolarHBondContact O-N 2.98Å; R226-Q229 WeakPolarHBondContact O-CB 3.2Å; R226-Q229 PolarHBondContact O-N 2.81Å; R227-Q229 VanDerWaalsContact C-N 3.35Å; R227-Q229 PolarHBondContact O-N 3.26Å; Q229-L231 PolarHBondContact O-N 3.03Å; Q229-L232 PolarHBondContact O-N 2.85Å; Q229-I233 HydrophobicContact CG-CD1 4.24Å; Q229-I233 WeakPolarHBondContact O-CG1 3.42Å; Q229-I233 PolarHBondContact O-N 3.24Å; Q229-I233 VanDerWaalsContact O-N 3.11Å; Q229-Q629 HydrophobicContact CG-CG 4.33Å
230	N	77.4	Confident	78.5	Confident	62 Å²	62	67.3 Å²	67.3	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-39.7	177.6	-70.7	-37.8	0	0	0	112.7	R226 R227 K228 I233 N234 Q629	R226-N230 PolarHBondContact O-N 3.2Å; R226-N230 PolarHBondContact O-ND2 3.16Å; R227-N230 PolarHBondContact O-N 3.47Å; K228-N230 PolarHBondContact O-N 2.68Å; N230-I233 PolarHBondContact O-N 2.94Å; N230-N234 PolarHBondContact O-N 3.03Å; N230-N234 PolarHBondContact O-ND2 3.14Å; N230-N234 PolarHBondContact O-OD1 3.42Å; N230-Q629 PolarHBondContact OD1-NE2 3.18Å
231	L	81.4	Confident	78.3	Confident	120 Å²	120	66.9 Å²	66.9	63%	0.628	31%	0.313	S	S	*	.	H	α-helix	trans	-63.3	-45.6	177.7	-73.5	169.8	0	0	0	111.7	R227 K228 Q229 I233 N234 E235	R227-L231 WeakPolarHBondContact O-CG 3.32Å; R227-L231 PolarHBondContact O-N 3.28Å; K228-L231 PolarHBondContact O-N 2.94Å; Q229-L231 PolarHBondContact O-N 3.03Å; L231-I233 VanDerWaalsContact C-N 3.34Å; L231-I233 PolarHBondContact O-N 3.44Å; L231-N234 PolarHBondContact O-N 3.02Å; L231-E235 WeakPolarHBondContact O-CB 3.4Å; L231-E235 PolarHBondContact O-N 2.82Å
232	L	80	Confident	78.1	Confident	16 Å²	16	68.8 Å²	68.8	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-64.9	-37.1	179.4	-67.7	171.3	0	0	0	112.3	L185 R188 I189 T192 K228 Q229 A236	L185-L232 HydrophobicContact CD1-CB 4.43Å; L185-L232 HydrophobicContact CD1-CD2 3.68Å; R188-L232 HydrophobicContact CB-CD1 4.4Å; I189-L232 HydrophobicContact CD1-CB 4.37Å; I189-L232 HydrophobicContact CG1-CB 3.65Å; T192-L232 HydrophobicContact CG2-CD1 4.43Å; T192-L232 WeakPolarHBondContact OG1-CD1 3.18Å; K228-L232 HydrophobicContact CG-CD1 4.08Å; K228-L232 HydrophobicContact CG-CG 4.38Å; K228-L232 VanDerWaalsContact O-CG 3.31Å; K228-L232 WeakPolarHBondContact O-CG 3.23Å; K228-L232 PolarHBondContact O-N 2.81Å; Q229-L232 PolarHBondContact O-N 2.85Å; L232-A236 WeakPolarHBondContact O-CB 3.39Å; L232-A236 PolarHBondContact O-N 3.4Å
233	I	78.7	Confident	77.9	Confident	6 Å²	6	67.9 Å²	67.9	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-69.5	-43.1	177.7	-72.3	169.3	0	0	0	110.9	I189 Q229 N230 L231 E235 A236 D237 Q626 Q629	I189-I233 HydrophobicContact CD1-CG1 4.09Å; I189-I233 HydrophobicContact CG1-CG1 4.34Å; I189-I233 HydrophobicContact CG2-CD1 4.26Å; I189-I233 HydrophobicContact CG2-CG1 3.95Å; Q229-I233 HydrophobicContact CG-CD1 4.24Å; Q229-I233 WeakPolarHBondContact O-CG1 3.42Å; Q229-I233 PolarHBondContact O-N 3.24Å; Q229-I233 VanDerWaalsContact O-N 3.11Å; N230-I233 PolarHBondContact O-N 2.94Å; L231-I233 VanDerWaalsContact C-N 3.34Å; L231-I233 PolarHBondContact O-N 3.44Å; I233-E235 VanDerWaalsContact C-N 3.33Å; I233-E235 PolarHBondContact O-N 3.33Å; I233-A236 CarbonylContact O-C 3.11Å; I233-A236 WeakPolarHBondContact O-CB 3.48Å; I233-A236 PolarHBondContact O-N 2.89Å; I233-A236 VanDerWaalsContact O-N 3.11Å; I233-D237 PolarHBondContact O-N 3.26Å; I233-Q626 HydrophobicContact CG2-CG 3.98Å; I233-Q629 HydrophobicContact CD1-CB 3.98Å; I233-Q629 HydrophobicContact CD1-CG 4.11Å
234	N	78.3	Confident	77.4	Confident	92 Å²	92	67.9 Å²	67.9	49%	0.492	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-42.2	174.7	-67.1	-11.4	0	0	0	111.7	N230 L231 A236 D237 D238	N230-N234 PolarHBondContact O-N 3.03Å; N230-N234 PolarHBondContact O-ND2 3.14Å; N230-N234 PolarHBondContact O-OD1 3.42Å; L231-N234 PolarHBondContact O-N 3.02Å; N234-A236 VanDerWaalsContact C-N 3.27Å; N234-A236 PolarHBondContact O-N 3.47Å; N234-D237 PolarHBondContact O-N 3.29Å; N234-D238 PolarHBondContact O-N 3.24Å
235	E	82.1	Confident	77	Confident	97 Å²	97	66.7 Å²	66.7	45%	0.453	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-37.6	174.2	-173.9	-174.3	164.8	0	0	111.6	L185 L231 I233 T239	L185-E235 HydrophobicContact CD2-CB 4.24Å; L185-E235 HydrophobicContact CD2-CG 3.88Å; L231-E235 WeakPolarHBondContact O-CB 3.4Å; L231-E235 PolarHBondContact O-N 2.82Å; I233-E235 VanDerWaalsContact C-N 3.33Å; I233-E235 PolarHBondContact O-N 3.33Å; E235-T239 WeakPolarHBondContact O-CB 3.38Å; E235-T239 PolarHBondContact O-N 3.25Å; E235-T239 PolarHBondContact O-OG1 3.34Å
236	A	79.2	Confident	76.4	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-71.2	-40.7	176.6	0	0	0	0	0	112.4	F182 L185 I189 L232 I233 N234 T239 M240 L622	F182-A236 HydrophobicContact CE2-CB 3.92Å; F182-A236 WeakPolarHBondContact CE2-O 3.49Å; F182-A236 HydrophobicContact CZ-CB 4.46Å; L185-A236 HydrophobicContact CD2-CB 3.81Å; L185-A236 HydrophobicContact CG-CB 4.3Å; I189-A236 HydrophobicContact CD1-CB 3.68Å; L232-A236 WeakPolarHBondContact O-CB 3.39Å; L232-A236 PolarHBondContact O-N 3.4Å; I233-A236 CarbonylContact O-C 3.11Å; I233-A236 WeakPolarHBondContact O-CB 3.48Å; I233-A236 PolarHBondContact O-N 2.89Å; I233-A236 VanDerWaalsContact O-N 3.11Å; N234-A236 VanDerWaalsContact C-N 3.27Å; N234-A236 PolarHBondContact O-N 3.47Å; A236-T239 PolarHBondContact O-N 3Å; A236-M240 VanDerWaalsContact O-CB 3.25Å; A236-M240 WeakPolarHBondContact O-CB 3.4Å; A236-M240 PolarHBondContact O-N 3.4Å; A236-L622 HydrophobicContact CB-CD1 3.73Å
237	D	77	Confident	75.8	Confident	50 Å²	50	67 Å²	67	27%	0.267	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-43.8	174.4	-72.7	-32.7	0	0	0	111.1	I233 N234 T239 M240 L241 Q626	I233-D237 PolarHBondContact O-N 3.26Å; N234-D237 PolarHBondContact O-N 3.29Å; D237-T239 PolarHBondContact O-N 3.31Å; D237-M240 PolarHBondContact O-N 3.41Å; D237-L241 WeakPolarHBondContact O-CB 3.38Å; D237-L241 WeakPolarHBondContact O-CG 3.31Å; D237-L241 PolarHBondContact O-N 3.03Å; D237-Q626 PolarHBondContact OD1-NE2 3.08Å; D237-Q626 PolarHBondContact OD2-NE2 2.9Å
238	D	76.6	Confident	75.2	Confident	106 Å²	106	63.1 Å²	63.1	57%	0.567	33%	0.325	S	S	*	.	H	α-helix	trans	-63.9	-40.7	176.7	-73.5	-25.4	0	0	0	112.1	N234 T242	N234-D238 PolarHBondContact O-N 3.24Å; D238-T242 PolarHBondContact O-N 2.98Å; D238-T242 PolarHBondContact O-OG1 3.47Å; D238-T242 VanDerWaalsContact O-OG1 3.04Å
239	T	77.6	Confident	74.7	Confident	41 Å²	41	61 Å²	61	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-68.5	-40.9	176.6	-53.1	0	0	0	0	111.1	F182 E235 A236 D237 T242 F243	F182-T239 HydrophobicContact CB-CG2 4.34Å; F182-T239 HydrophobicContact CD2-CG2 3.51Å; F182-T239 HydrophobicContact CE2-CG2 4.18Å; F182-T239 HydrophobicContact CG-CG2 4.22Å; E235-T239 WeakPolarHBondContact O-CB 3.38Å; E235-T239 PolarHBondContact O-N 3.25Å; E235-T239 PolarHBondContact O-OG1 3.34Å; A236-T239 PolarHBondContact O-N 3Å; D237-T239 PolarHBondContact O-N 3.31Å; T239-T242 VanDerWaalsContact O-CB 3.29Å; T239-T242 WeakPolarHBondContact O-CB 3.49Å; T239-T242 PolarHBondContact O-N 3.34Å; T239-T242 VanDerWaalsContact O-N 3.08Å; T239-F243 HydrophobicContact CG2-CD2 4.39Å; T239-F243 HydrophobicContact CG2-CE2 3.73Å; T239-F243 HydrophobicContact CG2-CZ 3.99Å; T239-F243 PolarHBondContact O-N 2.79Å
240	M	76.4	Confident	74	Confident	9 Å²	9	60.4 Å²	60.4	4%	0.044	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-42.9	176.2	-178.5	59	69.6	0	0	111.8	F182 A236 D237 T242 F243 L244 F618 Q619 L622	F182-M240 HydrophobicContact CE1-CE 3.65Å; F182-M240 HydrophobicContact CZ-CB 4.46Å; F182-M240 HydrophobicContact CZ-CE 3.55Å; A236-M240 VanDerWaalsContact O-CB 3.25Å; A236-M240 WeakPolarHBondContact O-CB 3.4Å; A236-M240 PolarHBondContact O-N 3.4Å; D237-M240 PolarHBondContact O-N 3.41Å; M240-T242 PolarHBondContact O-N 2.86Å; M240-F243 PolarHBondContact O-N 3.39Å; M240-F243 VanDerWaalsContact O-N 3.13Å; M240-L244 HydrophobicContact CG-CD1 4.16Å; M240-L244 HydrophobicContact CG-CG 4.49Å; M240-L244 WeakPolarHBondContact O-CG 3.49Å; M240-L244 PolarHBondContact O-N 3.4Å; M240-F618 VanDerWaalsContact CE-C 3.44Å; M240-F618 HydrophobicContact CE-CB 3.74Å; M240-F618 WeakPolarHBondContact CE-O 3.43Å; M240-Q619 HydrophobicContact CE-CB 4.4Å; M240-Q619 HydrophobicContact CE-CG 3.86Å; M240-Q619 HydrophobicContact CG-CG 4.21Å; M240-Q619 HydrophobicContact SD-CG 3.43Å; M240-Q619 WeakPolarHBondContact SD-CG 3.47Å; M240-L622 HydrophobicContact CB-CD2 3.97Å; M240-L622 HydrophobicContact CE-CB 4.41Å; M240-L622 HydrophobicContact CE-CD2 4.09Å; M240-L622 HydrophobicContact CG-CD2 4.18Å
241	L	75	Confident	73.2	Confident	88 Å²	88	58.9 Å²	58.9	46%	0.461	31%	0.306	S	S	.	.	H	α-helix	trans	-59.2	-28.4	173.8	-77.4	167.9	0	0	0	112.6	D237 K245	D237-L241 WeakPolarHBondContact O-CB 3.38Å; D237-L241 WeakPolarHBondContact O-CG 3.31Å; D237-L241 PolarHBondContact O-N 3.03Å; L241-K245 VanDerWaalsContact O-CG 3.25Å; L241-K245 WeakPolarHBondContact O-CG 3.29Å; L241-K245 PolarHBondContact O-N 2.79Å
242	T	75	Confident	72	Confident	68 Å²	68	62 Å²	62	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-73.8	-43.1	175.8	-53.6	0	0	0	0	111.2	D238 T239 M240 K245 D246 I249	D238-T242 PolarHBondContact O-N 2.98Å; D238-T242 PolarHBondContact O-OG1 3.47Å; D238-T242 VanDerWaalsContact O-OG1 3.04Å; T239-T242 VanDerWaalsContact O-CB 3.29Å; T239-T242 WeakPolarHBondContact O-CB 3.49Å; T239-T242 PolarHBondContact O-N 3.34Å; T239-T242 VanDerWaalsContact O-N 3.08Å; M240-T242 PolarHBondContact O-N 2.86Å; T242-K245 PolarHBondContact O-N 2.99Å; T242-D246 PolarHBondContact O-N 3.43Å; T242-D246 VanDerWaalsContact O-N 3.15Å; T242-I249 HydrophobicContact CG2-CD1 4.12Å
243	F	72.3	Confident	70.5	Confident	4 Å²	4	66 Å²	66	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-66.6	-36	174.1	-62.2	-43	0	0	0	112.7	F182 T239 M240 K245 D246 P247 I249 L250	F182-F243 HydrophobicContact CB-CE2 3.7Å; F182-F243 HydrophobicContact CB-CZ 4.05Å; F182-F243 AromaticContact CD1-CE2 3.94Å; F182-F243 HydrophobicContact CD1-CE2 3.94Å; F182-F243 HydrophobicContact CD2-CE2 4.08Å; F182-F243 AromaticContact CG-CE2 3.63Å; F182-F243 HydrophobicContact CG-CE2 3.63Å; F182-F243 HydrophobicContact CG-CZ 4.45Å; T239-F243 HydrophobicContact CG2-CD2 4.39Å; T239-F243 HydrophobicContact CG2-CE2 3.73Å; T239-F243 HydrophobicContact CG2-CZ 3.99Å; T239-F243 PolarHBondContact O-N 2.79Å; M240-F243 PolarHBondContact O-N 3.39Å; M240-F243 VanDerWaalsContact O-N 3.13Å; F243-K245 VanDerWaalsContact C-N 3.3Å; F243-K245 PolarHBondContact O-N 3.13Å; F243-D246 CarbonylContact O-C 3.58Å; F243-D246 PolarHBondContact O-N 3.42Å; F243-P247 WeakPolarHBondContact O-CA 3.39Å; F243-P247 WeakPolarHBondContact O-CD 3.44Å; F243-I249 HydrophobicContact CD1-CB 4.35Å; F243-I249 HydrophobicContact CD1-CG2 4.25Å; F243-I249 HydrophobicContact CE1-CG2 4.02Å; F243-L250 HydrophobicContact CB-CD2 4.38Å; F243-L250 HydrophobicContact CB-CG 4.39Å; F243-L250 HydrophobicContact CD1-CD2 3.52Å; F243-L250 HydrophobicContact CD1-CG 3.83Å; F243-L250 HydrophobicContact CD2-CD2 3.85Å; F243-L250 HydrophobicContact CE1-CD2 3.6Å; F243-L250 HydrophobicContact CE1-CG 4.26Å; F243-L250 HydrophobicContact CE2-CD2 3.89Å; F243-L250 HydrophobicContact CG-CD2 3.67Å; F243-L250 HydrophobicContact CG-CG 4.09Å; F243-L250 HydrophobicContact CZ-CD2 3.78Å
244	L	66.4	Low	68.6	Low	68 Å²	68	74.4 Å²	74.4	36%	0.356	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-34.3	175.4	-78.3	170.4	0	0	0	113	M240 W653	M240-L244 HydrophobicContact CG-CD1 4.16Å; M240-L244 HydrophobicContact CG-CG 4.49Å; M240-L244 WeakPolarHBondContact O-CG 3.49Å; M240-L244 PolarHBondContact O-N 3.4Å; L244-W653 HydrophobicContact CD2-CZ2 3.98Å
245	K	71.5	Confident	66.5	Low	176 Å²	176	79.6 Å²	79.6	77%	0.765	39%	0.393	S	S	*	.	H	α-helix	trans	-74.4	-37.2	177.4	-75.7	172.1	-174.6	175	0	112.8	L241 T242 F243	L241-K245 VanDerWaalsContact O-CG 3.25Å; L241-K245 WeakPolarHBondContact O-CG 3.29Å; L241-K245 PolarHBondContact O-N 2.79Å; T242-K245 PolarHBondContact O-N 2.99Å; F243-K245 VanDerWaalsContact C-N 3.3Å; F243-K245 PolarHBondContact O-N 3.13Å
246	D	67.4	Low	63.8	Low	70 Å²	70	84.3 Å²	84.3	37%	0.374	41%	0.412	S	S	.	.			trans	-142.1	91.4	175.7	-176.1	6.9	0	0	0	110.2	T242 F243 L248 I249	T242-D246 PolarHBondContact O-N 3.43Å; T242-D246 VanDerWaalsContact O-N 3.15Å; F243-D246 CarbonylContact O-C 3.58Å; F243-D246 PolarHBondContact O-N 3.42Å; D246-L248 PolarHBondContact O-N 2.85Å; D246-L248 WeakPolarHBondContact OD1-CB 3.36Å; D246-L248 PolarHBondContact OD1-N 2.93Å; D246-I249 HydrophobicContact CB-CD1 3.71Å; D246-I249 HydrophobicContact CB-CG1 3.93Å; D246-I249 WeakPolarHBondContact O-CB 3.48Å; D246-I249 WeakPolarHBondContact O-CG1 3.17Å; D246-I249 PolarHBondContact O-N 3.33Å; D246-I249 WeakPolarHBondContact OD2-CG1 3.33Å
247	P	65.2	Low	61.4	Low	40 Å²	40	93.1 Å²	93.1	26%	0.26	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-60.2	-27.7	-179.3	-25.3	34.5	0	0	0	112.5	F243 I249 L250 V611	F243-P247 WeakPolarHBondContact O-CA 3.39Å; F243-P247 WeakPolarHBondContact O-CD 3.44Å; P247-I249 PolarHBondContact O-N 3.49Å; P247-I249 VanDerWaalsContact O-N 3.08Å; P247-L250 VanDerWaalsContact O-CB 3.26Å; P247-L250 WeakPolarHBondContact O-CB 3.3Å; P247-L250 WeakPolarHBondContact O-CG 3.17Å; P247-L250 PolarHBondContact O-N 2.9Å; P247-V611 HydrophobicContact CB-CG1 3.37Å; P247-V611 WeakPolarHBondContact O-CG1 3.01Å
248	L	66.6	Low	58.9	Low	96 Å²	96	95.9 Å²	95.9	50%	0.503	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.4	-178.3	-64.9	170.8	0	0	0	113.1	D246 L250 L251	D246-L248 PolarHBondContact O-N 2.85Å; D246-L248 WeakPolarHBondContact OD1-CB 3.36Å; D246-L248 PolarHBondContact OD1-N 2.93Å; L248-L250 PolarHBondContact O-N 2.9Å; L248-L251 PolarHBondContact O-N 3.42Å; L248-L251 VanDerWaalsContact O-N 3.08Å
249	I	68.7	Low	56.5	Low	60 Å²	60	94.2 Å²	94.2	31%	0.308	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-61.9	-22.8	172.8	-61.4	174.9	0	0	0	111.4	S176 S178 T242 F243 D246 P247 L251	S176-I249 WeakPolarHBondContact CB-O 3.21Å; S176-I249 PolarHBondContact OG-O 3.37Å; S178-I249 PolarHBondContact OG-O 3.04Å; T242-I249 HydrophobicContact CG2-CD1 4.12Å; F243-I249 HydrophobicContact CD1-CB 4.35Å; F243-I249 HydrophobicContact CD1-CG2 4.25Å; F243-I249 HydrophobicContact CE1-CG2 4.02Å; D246-I249 HydrophobicContact CB-CD1 3.71Å; D246-I249 HydrophobicContact CB-CG1 3.93Å; D246-I249 WeakPolarHBondContact O-CB 3.48Å; D246-I249 WeakPolarHBondContact O-CG1 3.17Å; D246-I249 PolarHBondContact O-N 3.33Å; D246-I249 WeakPolarHBondContact OD2-CG1 3.33Å; P247-I249 PolarHBondContact O-N 3.49Å; P247-I249 VanDerWaalsContact O-N 3.08Å; I249-L251 VanDerWaalsContact C-N 3.27Å; I249-L251 PolarHBondContact O-N 3.09Å
250	L	60.4	Low	54.1	Low	0 Å²	0	101.9 Å²	101.9	0%	0	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-67.3	-27.2	175	-67.8	170.3	0	0	0	112.6	S176 A179 F243 P247 L248 V611 F618	S176-L250 WeakPolarHBondContact CB-O 3.19Å; S176-L250 PolarHBondContact N-O 3.28Å; S176-L250 PolarHBondContact OG-O 2.88Å; A179-L250 HydrophobicContact CB-CD2 3.96Å; F243-L250 HydrophobicContact CB-CD2 4.38Å; F243-L250 HydrophobicContact CB-CG 4.39Å; F243-L250 HydrophobicContact CD1-CD2 3.52Å; F243-L250 HydrophobicContact CD1-CG 3.83Å; F243-L250 HydrophobicContact CD2-CD2 3.85Å; F243-L250 HydrophobicContact CE1-CD2 3.6Å; F243-L250 HydrophobicContact CE1-CG 4.26Å; F243-L250 HydrophobicContact CE2-CD2 3.89Å; F243-L250 HydrophobicContact CG-CD2 3.67Å; F243-L250 HydrophobicContact CG-CG 4.09Å; F243-L250 HydrophobicContact CZ-CD2 3.78Å; P247-L250 VanDerWaalsContact O-CB 3.26Å; P247-L250 WeakPolarHBondContact O-CB 3.3Å; P247-L250 WeakPolarHBondContact O-CG 3.17Å; P247-L250 PolarHBondContact O-N 2.9Å; L248-L250 PolarHBondContact O-N 2.9Å; L250-V611 HydrophobicContact CB-CG1 4.49Å; L250-V611 HydrophobicContact CD1-CG1 4.29Å; L250-F618 HydrophobicContact CD2-CD2 3.99Å; L250-F618 HydrophobicContact CD2-CE2 3.89Å
251	L	62.1	Low	51.7	Low	30 Å²	30	108.8 Å²	108.8	16%	0.157	56%	0.555	C	S	.	*	B	Isolated β-bridge	trans	-92	152	176.8	-60.9	-177.4	0	0	0	111.9	C173 L248 I249 S253 V611	C173-L251 VanDerWaalsContact O-CD2 3.25Å; C173-L251 WeakPolarHBondContact O-CD2 3.45Å; L248-L251 PolarHBondContact O-N 3.42Å; L248-L251 VanDerWaalsContact O-N 3.08Å; I249-L251 VanDerWaalsContact C-N 3.27Å; I249-L251 PolarHBondContact O-N 3.09Å; L251-S253 PolarHBondContact O-N 3.33Å; L251-V611 HydrophobicContact CD1-CG2 3.21Å; L251-V611 HydrophobicContact CD2-CG2 3.67Å; L251-V611 HydrophobicContact CG-CG2 3.23Å
252	R	55.7	Low	49.4	Very low	186 Å²	186	113.5 Å²	113.5	70%	0.702	58%	0.575	S	S	*	*			trans	-58.2	114.5	165.7	-164.4	177.7	-167.1	173.3	5.1	108.8	T174 K254	T174-R252 PolarHBondContact O-N 2.83Å; R252-K254 PolarHBondContact O-N 3.22Å
253	S	49.1	Very low	47.2	Very low	98 Å²	98	115.5 Å²	115.5	69%	0.685	59%	0.591	S	S	*	*			trans	-49.7	118.4	170.3	62.4	0	0	0	0	108.5	L251 K255	L251-S253 PolarHBondContact O-N 3.33Å; S253-K255 PolarHBondContact O-N 3.09Å
254	K	38	Very low	45.1	Very low	183 Å²	183	119.1 Å²	119.1	80%	0.796	63%	0.63	S	S	*	*			trans	-54.9	103.7	173.3	-77.7	-179.8	-178.8	164.6	0	106.8	R252 K256 D607	R252-K254 PolarHBondContact O-N 3.22Å; K254-K256 PolarHBondContact O-N 2.71Å; K254-D607 IonicContact NZ-OD2 3.89Å
255	K	33.3	Very low	43.5	Very low	202 Å²	202	121.2 Å²	121.2	88%	0.878	65%	0.645	S	S	*	*			trans	-71	78.4	-178.6	-155.3	-179.7	-174.6	-175.2	0	108.1	S253 K257	S253-K255 PolarHBondContact O-N 3.09Å; K255-K257 PolarHBondContact O-N 2.9Å; K255-K257 VanDerWaalsContact O-N 3.16Å
256	K	26.9	Very low	41.3	Very low	195 Å²	195	122.4 Å²	122.4	85%	0.848	65%	0.65	S	S	*	*			trans	-66.7	102.3	152.3	-95.7	-174.4	176	177.2	0	105.9	K254	K254-K256 PolarHBondContact O-N 2.71Å
257	K	27.5	Very low	39.5	Very low	185 Å²	185	128.1 Å²	128.1	80%	0.804	67%	0.672	S	S	*	*				177.6	116	123	-96.3	171.7	-179.1	-176.5	0	110	K255 G259	K255-K257 PolarHBondContact O-N 2.9Å; K255-K257 VanDerWaalsContact O-N 3.16Å; K257-G259 PolarHBondContact O-N 2.94Å
258	A	26.2	Very low	37.4	Very low	109 Å²	109	131.4 Å²	131.4	90%	0.901	70%	0.696	S	S	*	*			trans	-50.9	125.9	141.4	0	0	0	0	0	108.3
259	G	26	Very low	35.6	Very low	70 Å²	70	133.6 Å²	133.6	72%	0.722	71%	0.707	S	S	*	*			trans	173.2	112.4	179.8	0	0	0	0	0	109	K257	K257-G259 PolarHBondContact O-N 2.94Å
260	K	26.6	Very low	33.4	Very low	203 Å²	203	136 Å²	136	88%	0.883	73%	0.729	S	S	*	*			trans	-51.1	150.4	-175.2	-72.4	166.7	168.8	175.5	0	113.7
261	N	25.3	Very low	31.8	Very low	153 Å²	153	144.9 Å²	144.9	82%	0.818	76%	0.764	S	S	*	*			trans	6.3	121.9	153.2	-57.4	-8.5	0	0	0	117.5
262	E	26.5	Very low	30.2	Very low	188 Å²	188	149.5 Å²	149.5	88%	0.879	80%	0.796	S	S	*	*				-173.3	142	123.8	-101.8	167.8	-158	0	0	111.4
263	S	29.3	Very low	28.9	Very low	109 Å²	109	148.9 Å²	148.9	76%	0.762	80%	0.801	S	S	*	*			trans	43.3	116.2	169	61.2	0	0	0	0	120.8	V265	S263-V265 PolarHBondContact O-N 2.87Å
264	G	27.7	Very low	28.2	Very low	80 Å²	80	151.6 Å²	151.6	83%	0.825	81%	0.808	S	S	*	*			trans	-64.2	115	169.3	0	0	0	0	0	111.9	K266	G264-K266 PolarHBondContact O-N 3.38Å; G264-K266 VanDerWaalsContact O-N 3.07Å
265	V	33.2	Very low	27.6	Very low	112 Å²	112	150.6 Å²	150.6	68%	0.679	81%	0.811	S	S	*	*			trans	-74	96.4	167.7	-177.8	0	0	0	0	108	S263 F267	S263-V265 PolarHBondContact O-N 2.87Å; V265-F267 HydrophobicContact CB-CE2 4.37Å; V265-F267 HydrophobicContact CG1-CD2 3.91Å; V265-F267 HydrophobicContact CG1-CE2 3.63Å; V265-F267 HydrophobicContact CG1-CZ 4.18Å; V265-F267 PolarHBondContact O-N 3.34Å
266	K	24.9	Very low	27.7	Very low	201 Å²	201	147.7 Å²	147.7	87%	0.874	81%	0.805	S	S	*	*			trans	-62.6	117.3	160.8	-98.9	-178.2	173.9	179.5	0	107.6	G264	G264-K266 PolarHBondContact O-N 3.38Å; G264-K266 VanDerWaalsContact O-N 3.07Å
267	F	29.8	Very low	27.9	Very low	190 Å²	190	144.8 Å²	144.8	83%	0.833	80%	0.799	S	S	*	*			trans	-88.4	106.1	166.1	-84.8	-90.2	0	0	0	108.5	V265	V265-F267 HydrophobicContact CB-CE2 4.37Å; V265-F267 HydrophobicContact CG1-CD2 3.91Å; V265-F267 HydrophobicContact CG1-CE2 3.63Å; V265-F267 HydrophobicContact CG1-CZ 4.18Å; V265-F267 PolarHBondContact O-N 3.34Å
268	S	22.2	Very low	28.1	Very low	110 Å²	110	142.6 Å²	142.6	77%	0.769	80%	0.796	S	S	*	*			trans	-88.1	117.8	163.6	36.8	0	0	0	0	108.6
269	I	28.5	Very low	28.6	Very low	142 Å²	142	145.5 Å²	145.5	73%	0.728	80%	0.796	S	S	*	*			trans	-90.9	105.9	160.4	-70.4	170	0	0	0	105.1	Y271	I269-Y271 HydrophobicContact CG2-CE2 4.2Å; I269-Y271 PolarHBondContact O-N 3.34Å
270	S	21.2	Very low	28.8	Very low	111 Å²	111	148.7 Å²	148.7	78%	0.776	80%	0.797	S	S	*	*			trans	-76.5	115.2	173.7	50.4	0	0	0	0	109.2
271	Y	28.2	Very low	29.2	Very low	186 Å²	186	147.6 Å²	147.6	73%	0.729	80%	0.795	S	S	*	*			trans	-76.5	149.5	161.7	-72.3	-90.5	0	0	0	108.4	I269 E273	I269-Y271 HydrophobicContact CG2-CE2 4.2Å; I269-Y271 PolarHBondContact O-N 3.34Å; Y271-E273 VanDerWaalsContact C-N 3.29Å; Y271-E273 PolarHBondContact O-N 3.43Å
272	P	28.2	Very low	29.4	Very low	126 Å²	126	147.3 Å²	147.3	82%	0.818	79%	0.793	S	S	*	*			trans	-66.6	98.7	166.7	-1.1	16.7	0	0	0	106.4
273	E	29	Very low	29.7	Very low	173 Å²	173	144.9 Å²	144.9	81%	0.808	79%	0.787	S	S	*	*			trans	-71.3	131.6	163.6	-68.1	-175.9	167.8	0	0	106.4	Y271 D275	Y271-E273 VanDerWaalsContact C-N 3.29Å; Y271-E273 PolarHBondContact O-N 3.43Å; E273-D275 PolarHBondContact O-N 2.74Å
274	D	32.9	Very low	29.6	Very low	155 Å²	155	147 Å²	147	83%	0.829	79%	0.789	S	S	*	*			trans	-57.8	121.4	177.1	-71.2	-52.8	0	0	0	108.3	D276	D274-D276 VanDerWaalsContact C-N 3.32Å; D274-D276 PolarHBondContact O-N 3.39Å
275	D	26.7	Very low	29.6	Very low	162 Å²	162	146.5 Å²	146.5	87%	0.866	78%	0.784	S	S	*	*			trans	-60.5	88.4	175.8	-65	-46	0	0	0	109.9	E273	E273-D275 PolarHBondContact O-N 2.74Å
276	D	34.4	Very low	29.5	Very low	142 Å²	142	147.8 Å²	147.8	76%	0.759	79%	0.787	S	S	*	*			trans	-113.2	99.3	163.2	-79.8	-26.7	0	0	0	108.6	D274	D274-D276 VanDerWaalsContact C-N 3.32Å; D274-D276 PolarHBondContact O-N 3.39Å
277	D	32.4	Very low	29.5	Very low	134 Å²	134	145.1 Å²	145.1	72%	0.717	78%	0.782	S	S	*	*			trans	55.9	98.3	145.3	-58.2	-29	0	0	0	118.7
278	D	31.4	Very low	29.8	Very low	139 Å²	139	142.1 Å²	142.1	74%	0.743	78%	0.779	S	S	*	*				9.7	109.1	125.6	-56.3	-33.9	0	0	0	115.5
279	D	35.9	Very low	29.9	Very low	169 Å²	169	144.9 Å²	144.9	90%	0.904	78%	0.78	S	S	*	*			trans	-142.7	95.1	135.7	-89	-34.2	0	0	0	106.9
280	D	29.6	Very low	30	Very low	137 Å²	137	145.1 Å²	145.1	73%	0.733	78%	0.783	S	S	*	*			trans	-46.9	133.3	157.2	-64	-57.9	0	0	0	110.2
281	E	35.3	Very low	30.1	Very low	180 Å²	180	146.6 Å²	146.6	84%	0.841	78%	0.782	S	S	*	*			trans	-168.9	90.5	137.2	-105	175.2	-152.8	0	0	108
282	D	30.5	Very low	30.2	Very low	147 Å²	147	143.7 Å²	143.7	79%	0.786	78%	0.784	S	S	*	*				54.6	131.8	119.5	-59.9	-26.4	0	0	0	120.8
283	D	32.6	Very low	30	Very low	138 Å²	138	143.7 Å²	143.7	74%	0.738	78%	0.781	S	S	*	*				114.7	88.6	127.5	-129.2	17.2	0	0	0	115.9
284	D	27.6	Very low	29.8	Very low	152 Å²	152	140 Å²	140	81%	0.813	78%	0.775	S	S	*	*				54	128.8	115.9	-62.9	-6.8	0	0	0	120.1
285	G	27.7	Very low	29.3	Very low	70 Å²	70	140.5 Å²	140.5	72%	0.722	78%	0.777	S	S	*	*			trans	168.4	60.7	165.8	0	0	0	0	0	115.5
286	D	30.6	Very low	29.2	Very low	139 Å²	139	136.5 Å²	136.5	74%	0.743	77%	0.774	S	S	*	*			trans	50.4	122.4	132.2	-57	-18.4	0	0	0	121.5
287	D	25.6	Very low	28.6	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	78%	0.78	S	S	*	*				47	133.9	121.9	-57.3	-25.6	0	0	0	117.9
288	V	35.2	Very low	28.3	Very low	127 Å²	127	137.5 Å²	137.5	77%	0.77	78%	0.784	S	S	*	*				-169.8	135.1	78.8	156	0	0	0	0	109.7
289	E	24.3	Very low	27.9	Very low	168 Å²	168	142 Å²	142	79%	0.785	79%	0.79	S	S	*	*			trans	-44.6	154.3	162.4	-60	166.9	135.4	0	0	114.2
290	N	30.4	Very low	27.2	Very low	147 Å²	147	142.9 Å²	142.9	79%	0.786	79%	0.789	S	S	*	*				-173.2	134.9	115	-97.7	-55	0	0	0	113.2
291	D	23.9	Very low	27	Very low	142 Å²	142	139.7 Å²	139.7	76%	0.759	79%	0.789	S	S	*	*			trans	-53.6	160.1	165.9	-71.7	-51.9	0	0	0	114.8
292	V	29.2	Very low	26.4	Very low	125 Å²	125	138 Å²	138	76%	0.758	79%	0.786	S	S	*	*				154.7	107.9	109.9	172.6	0	0	0	0	111.3
293	V	25	Very low	26.4	Very low	126 Å²	126	139.2 Å²	139.2	76%	0.764	79%	0.79	S	S	*	*				21.3	133.2	130	-145.9	0	0	0	0	121.2
294	S	23.8	Very low	26	Very low	97 Å²	97	140.4 Å²	140.4	68%	0.678	79%	0.791	S	S	*	*				115.1	109.7	126	-137.2	0	0	0	0	119.3
295	N	22.7	Very low	25.8	Very low	164 Å²	164	140.3 Å²	140.3	88%	0.877	79%	0.791	S	S	*	*			trans	37.6	122.6	134.3	-68.4	-14.1	0	0	0	121.6
296	G	25.9	Very low	25.8	Very low	78 Å²	78	146.7 Å²	146.7	80%	0.804	80%	0.798	S	S	*	*			trans	-176.8	81.6	159.7	0	0	0	0	0	111.9
297	D	20.7	Very low	25.4	Very low	166 Å²	166	145.7 Å²	145.7	89%	0.888	80%	0.801	S	S	*	*			trans	-67.2	135.7	160.3	-88.3	-44.3	0	0	0	109.5
298	V	26.6	Very low	25.2	Very low	131 Å²	131	147.4 Å²	147.4	79%	0.794	80%	0.804	S	S	*	*			trans	176.8	123.7	137.9	154.9	0	0	0	0	110.9
299	R	23.6	Very low	24.7	Very low	234 Å²	234	148.4 Å²	148.4	88%	0.883	81%	0.805	S	S	*	*			trans	74.4	104.9	150.6	-85.3	174.3	159.8	-170.7	-7.1	122.2
300	E	21.1	Very low	25.1	Very low	187 Å²	187	148.8 Å²	148.8	87%	0.874	81%	0.813	S	S	*	*			trans	-9.1	123	131.3	-81.8	172.3	149.1	0	0	117.5
301	G	23.9	Very low	24.9	Very low	70 Å²	70	150.7 Å²	150.7	72%	0.722	81%	0.814	S	S	*	*			trans	-142.5	105.2	153.3	0	0	0	0	0	108.5	I303	G301-I303 PolarHBondContact O-N 2.79Å
302	N	24.1	Very low	25	Very low	146 Å²	146	153.6 Å²	153.6	78%	0.781	82%	0.82	S	S	*	*			trans	-65.3	122.9	172.2	-77.6	-18.8	0	0	0	110.1
303	I	29.3	Very low	25.1	Very low	172 Å²	172	155.3 Å²	155.3	88%	0.882	82%	0.823	S	S	*	*			trans	-125	97.1	158.4	-61.4	177.5	0	0	0	105.9	G301	G301-I303 PolarHBondContact O-N 2.79Å
304	E	24.7	Very low	25.2	Very low	163 Å²	163	155.8 Å²	155.8	76%	0.762	82%	0.822	S	S	*	*			trans	-76.6	143.9	166.7	-76.3	174.9	155.3	0	0	110.7
305	D	24.5	Very low	25.4	Very low	149 Å²	149	160.4 Å²	160.4	80%	0.797	83%	0.833	S	S	*	*			trans	59.4	102.8	148.7	-70.1	-17.5	0	0	0	121.4
306	K	25.9	Very low	25.6	Very low	204 Å²	204	156.1 Å²	156.1	89%	0.887	82%	0.82	S	S	*	*			trans	-137.8	105.3	136.9	-88.9	-172.4	179	174	0	112.3
307	C	22.8	Very low	25.6	Very low	118 Å²	118	159.6 Å²	159.6	80%	0.797	82%	0.815	S	S	*	*			trans	68.9	104.3	139.4	-59.5	0	0	0	0	120.1
308	E	21.5	Very low	25.9	Very low	181 Å²	181	159 Å²	159	85%	0.846	81%	0.811	S	S	*	*				-24.6	122.1	128.5	-63.6	174.7	136.5	0	0	114.7
309	N	25.7	Very low	25.8	Very low	148 Å²	148	160.5 Å²	160.5	79%	0.791	80%	0.802	S	S	*	*				171.4	97.8	128.1	-92.2	-33.5	0	0	0	109.3
310	N	32.3	Very low	25.7	Very low	176 Å²	176	160.9 Å²	160.9	94%	0.941	80%	0.803	S	S	*	*			trans	-166.2	59.1	149.1	-91.1	-22.2	0	0	0	110
311	K	25.3	Very low	25.8	Very low	188 Å²	188	157.8 Å²	157.8	82%	0.817	79%	0.789	S	S	*	*			trans	-110.6	94.6	155.4	-102.8	-178.3	177.1	172.6	0	106.5
312	K	26.3	Very low	25.8	Very low	203 Å²	203	162.6 Å²	162.6	88%	0.883	80%	0.795	S	S	*	*			trans	168	74	158.2	-96.6	171.2	-174.8	-178.3	0	110
313	I	30.5	Very low	25.8	Very low	161 Å²	161	161.7 Å²	161.7	83%	0.826	80%	0.8	S	S	*	*	S	Bend	trans	-134.5	91.2	146.9	-61.5	-177.9	0	0	0	105.6
314	D	28.5	Very low	25.4	Very low	136 Å²	136	157 Å²	157	73%	0.727	78%	0.782	S	S	*	*			trans	44.8	96.2	144.4	-59.4	-27.4	0	0	0	117.9	A316	D314-A316 HydrophobicContact CB-CB 4.25Å; D314-A316 PolarHBondContact O-N 2.76Å
315	E	27.6	Very low	25.4	Very low	194 Å²	194	156.3 Å²	156.3	91%	0.907	78%	0.784	S	S	*	*			trans	-50.2	60.5	130.2	-65.2	175.5	153.2	0	0	111.2	Q317	E315-Q317 PolarHBondContact O-N 3.21Å
316	A	27.1	Very low	25.4	Very low	74 Å²	74	156.4 Å²	156.4	61%	0.612	78%	0.78	S	S	*	*			trans	-68.5	75.2	159.3	0	0	0	0	0	107.2	D314 I318	D314-A316 HydrophobicContact CB-CB 4.25Å; D314-A316 PolarHBondContact O-N 2.76Å; A316-I318 PolarHBondContact O-N 3.2Å
317	Q	26.3	Very low	25.3	Very low	150 Å²	150	154.4 Å²	154.4	70%	0.701	78%	0.778	S	S	*	*				37.4	65.9	120.7	-161.3	164.3	14	0	0	113.1	E315 R319	E315-Q317 PolarHBondContact O-N 3.21Å; Q317-R319 HydrophobicContact CG-CB 4.1Å; Q317-R319 HydrophobicContact CG-CG 4.28Å; Q317-R319 PolarHBondContact O-N 3.2Å
318	I	26.8	Very low	25.3	Very low	155 Å²	155	152.8 Å²	152.8	80%	0.795	77%	0.768	S	S	*	*			trans	-73.1	73.7	150.5	-57	-179.7	0	0	0	105.7	A316 W320	A316-I318 PolarHBondContact O-N 3.2Å; I318-W320 PolarHBondContact O-N 2.83Å
319	R	23.5	Very low	25.5	Very low	162 Å²	162	150.3 Å²	150.3	61%	0.611	77%	0.765	S	S	*	*			trans	-44.7	102.9	157.6	-144.1	174.1	-172.1	-137.2	5.9	104.8	Q317 E321	Q317-R319 HydrophobicContact CG-CB 4.1Å; Q317-R319 HydrophobicContact CG-CG 4.28Å; Q317-R319 PolarHBondContact O-N 3.2Å; R319-E321 HydrophobicContact CB-CG 3.94Å; R319-E321 WeakPolarHBondContact CD-OE1 3.25Å; R319-E321 HydrophobicContact CG-CG 3.67Å; R319-E321 IonicContact CZ-OE1 3.65Å; R319-E321 IonicContact NE-OE1 3.47Å; R319-E321 IonicContact NH1-OE1 2.66Å; R319-E321 PolarHBondContact NH1-OE1 2.98Å; R319-E321 PolarHBondContact O-N 3.38Å
320	W	23.1	Very low	25.4	Very low	241 Å²	241	149.4 Å²	149.4	91%	0.913	76%	0.76	S	S	*	*			trans	-64.8	75.2	148.8	-79.1	91.1	0	0	0	105.4	I318 M322	I318-W320 PolarHBondContact O-N 2.83Å; W320-M322 VanDerWaalsContact C-N 3.26Å; W320-M322 PolarHBondContact O-N 2.91Å
321	E	22.8	Very low	25.1	Very low	122 Å²	122	151.1 Å²	151.1	57%	0.57	76%	0.755	S	S	*	*			trans	-52.5	108.1	158	-72.7	-175.2	169.7	0	0	104	R319 S323	R319-E321 HydrophobicContact CB-CG 3.94Å; R319-E321 WeakPolarHBondContact CD-OE1 3.25Å; R319-E321 HydrophobicContact CG-CG 3.67Å; R319-E321 IonicContact CZ-OE1 3.65Å; R319-E321 IonicContact NE-OE1 3.47Å; R319-E321 IonicContact NH1-OE1 2.66Å; R319-E321 PolarHBondContact NH1-OE1 2.98Å; R319-E321 PolarHBondContact O-N 3.38Å; E321-S323 PolarHBondContact O-N 2.85Å
322	M	24.4	Very low	25	Very low	171 Å²	171	147.9 Å²	147.9	84%	0.842	76%	0.756	S	S	*	*			trans	-30.8	120.5	157.6	-64.6	-143.3	-86.8	0	0	106.9	W320 S324	W320-M322 VanDerWaalsContact C-N 3.26Å; W320-M322 PolarHBondContact O-N 2.91Å; M322-S324 PolarHBondContact O-N 3.26Å
323	S	22.4	Very low	25	Very low	128 Å²	128	143.1 Å²	143.1	90%	0.895	74%	0.744	S	S	*	*			trans	-60.2	73.7	146	-64.3	0	0	0	0	106.3	E321 N325	E321-S323 PolarHBondContact O-N 2.85Å; S323-N325 PolarHBondContact O-N 2.57Å
324	S	22.5	Very low	25.1	Very low	72 Å²	72	140.8 Å²	140.8	50%	0.503	74%	0.742	S	S	.	*			trans	-51.9	119.7	146.7	-177.7	0	0	0	0	105.1	M322	M322-S324 PolarHBondContact O-N 3.26Å
325	N	24.7	Very low	25.2	Very low	150 Å²	150	140.7 Å²	140.7	80%	0.802	74%	0.741	S	S	*	*			trans	-143.1	84.1	131.3	-85	-35.4	0	0	0	106.7	S323	S323-N325 PolarHBondContact O-N 2.57Å
326	Q	24.4	Very low	25.4	Very low	151 Å²	151	136.4 Å²	136.4	71%	0.706	73%	0.733	S	S	*	*				43.7	87.7	126.8	-58.2	-172.4	-6.7	0	0	114.6	S328	Q326-S328 VanDerWaalsContact C-N 3.28Å; Q326-S328 PolarHBondContact O-N 2.92Å; Q326-S328 VanDerWaalsContact O-N 3.17Å
327	L	23.7	Very low	25.7	Very low	162 Å²	162	140.9 Å²	140.9	85%	0.848	75%	0.746	S	S	*	*			trans	-62.3	106.3	132.7	-91.6	99.2	0	0	0	105.8	T329	L327-T329 PolarHBondContact O-N 3.46Å
328	S	22.6	Very low	26	Very low	84 Å²	84	140 Å²	140	59%	0.587	75%	0.747	S	S	*	*			trans	-50	113	166	-103.6	0	0	0	0	108.5	Q326 D330	Q326-S328 VanDerWaalsContact C-N 3.28Å; Q326-S328 PolarHBondContact O-N 2.92Å; Q326-S328 VanDerWaalsContact O-N 3.17Å; S328-D330 PolarHBondContact OG-OD2 2.92Å
329	T	25.7	Very low	26.3	Very low	128 Å²	128	140.2 Å²	140.2	79%	0.785	75%	0.749	S	S	*	*			trans	-108.7	62	157.2	51.1	0	0	0	0	107.2	L327 Y331	L327-T329 PolarHBondContact O-N 3.46Å; T329-Y331 PolarHBondContact O-N 3.5Å
330	D	22.5	Very low	27	Very low	129 Å²	129	135.1 Å²	135.1	69%	0.69	75%	0.747	S	S	*	*			trans	-79.8	68.9	168.6	-64.1	-49.2	0	0	0	108.9	S328	S328-D330 PolarHBondContact OG-OD2 2.92Å
331	Y	26.1	Very low	27.7	Very low	213 Å²	213	128.2 Å²	128.2	84%	0.835	73%	0.733	S	S	*	*			trans	-125.5	78.7	151.1	-91.3	-81.2	0	0	0	107.1	T329 T333	T329-Y331 PolarHBondContact O-N 3.5Å; Y331-T333 VanDerWaalsContact C-N 3.27Å; Y331-T333 PolarHBondContact O-N 3.24Å
332	S	24.3	Very low	28.8	Very low	119 Å²	119	126.1 Å²	126.1	83%	0.832	73%	0.729	S	S	*	*			trans	-67.6	87.9	164.2	-163.6	0	0	0	0	107.9
333	T	26.3	Very low	30.2	Very low	104 Å²	104	122.8 Å²	122.8	64%	0.638	72%	0.72	S	S	*	*			trans	-104.1	99.5	158	50.2	0	0	0	0	106.8	Y331 D335	Y331-T333 VanDerWaalsContact C-N 3.27Å; Y331-T333 PolarHBondContact O-N 3.24Å; T333-D335 PolarHBondContact O-N 3.2Å
334	S	31.8	Very low	31.9	Very low	111 Å²	111	123.9 Å²	123.9	78%	0.776	71%	0.711	S	S	*	*			trans	-63.2	79.3	169.1	52	0	0	0	0	110.1
335	D	30.6	Very low	33.6	Very low	135 Å²	135	126.5 Å²	126.5	72%	0.722	71%	0.713	S	S	*	*			trans	-128.1	90.1	172.3	-77.6	-37.5	0	0	0	109.3	T333	T333-D335 PolarHBondContact O-N 3.2Å
336	S	30.9	Very low	35.2	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	70%	0.7	S	S	*	*			trans	9.9	109.4	150.5	172.6	0	0	0	0	116.4	N338	S336-N338 PolarHBondContact O-N 2.87Å
337	D	34.2	Very low	36.6	Very low	167 Å²	167	120.8 Å²	120.8	89%	0.893	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	18.5	-179.8	-73.5	-45.7	0	0	0	117.4
338	N	32.2	Very low	38	Very low	133 Å²	133	118.2 Å²	118.2	71%	0.711	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	1.4	-160.5	-102.5	-5.9	0	0	0	119.1	S336	S336-N338 PolarHBondContact O-N 2.87Å
339	D	32.7	Very low	39.6	Very low	159 Å²	159	118.3 Å²	118.3	85%	0.85	67%	0.671	S	S	*	*			trans	-135.1	71.9	174.6	-76.9	-50.4	0	0	0	112.3
340	G	39.4	Very low	40.9	Very low	54 Å²	54	114 Å²	114	56%	0.557	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-61.2	152.9	159.6	0	0	0	0	0	110.9	T342	G340-T342 PolarHBondContact O-N 3.22Å; G340-T342 VanDerWaalsContact O-N 3.16Å
341	P	36.6	Very low	42.7	Very low	97 Å²	97	114 Å²	114	63%	0.63	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-58.3	124.9	-175.6	23.2	-32.5	0	0	0	110.2	F345	P341-F345 HydrophobicContact CB-CD1 4.08Å
342	T	47.2	Very low	44.1	Very low	77 Å²	77	110.2 Å²	110.2	47%	0.472	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-58.8	149.9	-176.5	51.1	0	0	0	0	111.1	G340 E344 F345 V346	G340-T342 PolarHBondContact O-N 3.22Å; G340-T342 VanDerWaalsContact O-N 3.16Å; T342-E344 PolarHBondContact O-N 3.09Å; T342-F345 WeakPolarHBondContact O-CB 3.34Å; T342-F345 PolarHBondContact O-N 3.1Å; T342-V346 PolarHBondContact O-N 3.36Å
343	P	53.7	Low	45.5	Very low	102 Å²	102	108.8 Å²	108.8	66%	0.662	61%	0.612	S	S	*	*	H	α-helix	trans	-52.9	-28.4	180	-26.8	33.8	0	0	0	113.9	V346 L347	P343-V346 PolarHBondContact O-N 2.81Å; P343-L347 WeakPolarHBondContact O-CB 3.28Å; P343-L347 PolarHBondContact O-N 2.97Å
344	E	57.4	Low	46.8	Very low	150 Å²	150	111.5 Å²	111.5	70%	0.701	61%	0.611	S	S	*	*	H	α-helix	trans	-65.3	-39.1	176.1	-67.5	172.5	163.6	0	0	112.3	T342 L347 N348	T342-E344 PolarHBondContact O-N 3.09Å; E344-L347 PolarHBondContact O-N 3.04Å; E344-N348 WeakPolarHBondContact O-CB 3.37Å; E344-N348 PolarHBondContact O-N 3.21Å
345	F	58.7	Low	47.8	Very low	127 Å²	127	114 Å²	114	56%	0.557	61%	0.608	S	S	*	*	H	α-helix	trans	-64.7	-43.7	175.3	-173.1	-97.5	0	0	0	111.1	P341 T342 L347 N348 L349	P341-F345 HydrophobicContact CB-CD1 4.08Å; T342-F345 WeakPolarHBondContact O-CB 3.34Å; T342-F345 PolarHBondContact O-N 3.1Å; F345-L347 PolarHBondContact O-N 2.98Å; F345-N348 PolarHBondContact O-N 3.3Å; F345-L349 WeakPolarHBondContact O-CB 3.5Å; F345-L349 PolarHBondContact O-N 3.43Å
346	V	58	Low	48.4	Very low	86 Å²	86	112 Å²	112	52%	0.521	60%	0.6	S	S	.	*	H	α-helix	trans	-62.8	-42.4	176.8	-178.4	0	0	0	0	111.2	T342 P343 L349 S350	T342-V346 PolarHBondContact O-N 3.36Å; P343-V346 PolarHBondContact O-N 2.81Å; V346-L349 PolarHBondContact O-N 3.31Å; V346-S350 PolarHBondContact O-N 2.9Å
347	L	54.1	Low	49.4	Very low	96 Å²	96	113 Å²	113	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-65.1	-41.9	175.3	-99.2	159.5	0	0	0	112.4	P343 E344 F345 S350 K351	P343-L347 WeakPolarHBondContact O-CB 3.28Å; P343-L347 PolarHBondContact O-N 2.97Å; E344-L347 PolarHBondContact O-N 3.04Å; F345-L347 PolarHBondContact O-N 2.98Å; L347-S350 PolarHBondContact O-N 3.33Å; L347-S350 PolarHBondContact O-OG 3.49Å; L347-K351 PolarHBondContact O-N 3.31Å
348	N	53.9	Low	49.6	Very low	108 Å²	108	107 Å²	107	58%	0.578	57%	0.571	S	S	*	*	H	α-helix	trans	-65	-40.5	177.6	-119	-6.7	0	0	0	111.8	E344 F345 K351 Q352	E344-N348 WeakPolarHBondContact O-CB 3.37Å; E344-N348 PolarHBondContact O-N 3.21Å; F345-N348 PolarHBondContact O-N 3.3Å; N348-K351 PolarHBondContact O-N 2.82Å; N348-Q352 PolarHBondContact O-N 3.4Å
349	L	56.1	Low	50	Low	85 Å²	85	105 Å²	105	45%	0.445	56%	0.564	S	S	.	*	H	α-helix	trans	-62	-45.7	175	-161.8	73.7	0	0	0	110.9	F345 V346 K351 Q352 I353	F345-L349 WeakPolarHBondContact O-CB 3.5Å; F345-L349 PolarHBondContact O-N 3.43Å; V346-L349 PolarHBondContact O-N 3.31Å; L349-K351 VanDerWaalsContact C-N 3.28Å; L349-K351 PolarHBondContact O-N 3.04Å; L349-Q352 PolarHBondContact O-N 2.96Å; L349-I353 HydrophobicContact CG-CD1 4.43Å; L349-I353 WeakPolarHBondContact O-CG1 3.4Å; L349-I353 PolarHBondContact O-N 3.11Å
350	S	52.5	Low	50.4	Low	38 Å²	38	106 Å²	106	27%	0.266	56%	0.556	S	S	.	*	H	α-helix	trans	-62.8	-32	176.4	83.3	0	0	0	0	113.5	V346 L347 R354	V346-S350 PolarHBondContact O-N 2.9Å; L347-S350 PolarHBondContact O-N 3.33Å; L347-S350 PolarHBondContact O-OG 3.49Å; S350-R354 PolarHBondContact O-N 2.97Å; S350-R354 PolarHBondContact O-NE 3.11Å; S350-R354 PolarHBondContact OG-NH2 3.46Å
351	K	60.4	Low	50.3	Low	129 Å²	129	109.2 Å²	109.2	56%	0.561	56%	0.559	S	S	*	*	H	α-helix	trans	-73.7	-38.3	175.3	-80.8	-179.2	-179.8	174.4	0	111.7	L347 N348 L349 K355	L347-K351 PolarHBondContact O-N 3.31Å; N348-K351 PolarHBondContact O-N 2.82Å; L349-K351 VanDerWaalsContact C-N 3.28Å; L349-K351 PolarHBondContact O-N 3.04Å; K351-K355 PolarHBondContact O-N 3.44Å
352	Q	55.5	Low	50.6	Low	133 Å²	133	112.2 Å²	112.2	62%	0.621	56%	0.562	S	S	*	*	H	α-helix	trans	-63.7	-44	174.5	-91.6	-174	-1.5	0	0	111.7	N348 L349 R354 K355 T356	N348-Q352 PolarHBondContact O-N 3.4Å; L349-Q352 PolarHBondContact O-N 2.96Å; Q352-R354 PolarHBondContact O-N 3.4Å; Q352-K355 PolarHBondContact O-N 3.5Å; Q352-T356 PolarHBondContact O-N 3.47Å; Q352-T356 PolarHBondContact O-OG1 3.11Å
353	I	52.9	Low	50.2	Low	89 Å²	89	115.2 Å²	115.2	46%	0.456	57%	0.571	S	S	.	*	H	α-helix	trans	-60.4	-46	177.1	-64.8	165.6	0	0	0	110.9	L349 K355 T356 E357	L349-I353 HydrophobicContact CG-CD1 4.43Å; L349-I353 WeakPolarHBondContact O-CG1 3.4Å; L349-I353 PolarHBondContact O-N 3.11Å; I353-K355 VanDerWaalsContact C-N 3.32Å; I353-K355 PolarHBondContact O-N 2.72Å; I353-T356 PolarHBondContact O-N 2.97Å; I353-T356 PolarHBondContact O-OG1 3.44Å; I353-E357 PolarHBondContact O-N 3.34Å
354	R	53.6	Low	49.7	Very low	162 Å²	162	114.7 Å²	114.7	61%	0.611	56%	0.563	S	S	*	*	H	α-helix	trans	-64.1	-33.9	175.9	-88	-178	-79.8	-176.7	-8.9	113.5	S350 Q352 G358	S350-R354 PolarHBondContact O-N 2.97Å; S350-R354 PolarHBondContact O-NE 3.11Å; S350-R354 PolarHBondContact OG-NH2 3.46Å; Q352-R354 PolarHBondContact O-N 3.4Å; R354-G358 PolarHBondContact O-N 2.88Å
355	K	53.8	Low	48.8	Very low	164 Å²	164	112 Å²	112	71%	0.713	55%	0.553	S	S	*	*	H	α-helix	trans	-67.3	-41.6	175.7	-101.5	-176.8	175.3	179.5	0	112	K351 Q352 I353 T359	K351-K355 PolarHBondContact O-N 3.44Å; Q352-K355 PolarHBondContact O-N 3.5Å; I353-K355 VanDerWaalsContact C-N 3.32Å; I353-K355 PolarHBondContact O-N 2.72Å; K355-T359 PolarHBondContact O-N 3.32Å; K355-T359 PolarHBondContact O-OG1 3.35Å
356	T	43.2	Very low	47.7	Very low	91 Å²	91	115.7 Å²	115.7	56%	0.558	56%	0.563	S	S	*	*	H	α-helix	trans	-73.5	-31.8	-180	51.2	0	0	0	0	112.5	Q352 I353 T359	Q352-T356 PolarHBondContact O-N 3.47Å; Q352-T356 PolarHBondContact O-OG1 3.11Å; I353-T356 PolarHBondContact O-N 2.97Å; I353-T356 PolarHBondContact O-OG1 3.44Å; T356-T359 PolarHBondContact O-OG1 2.93Å
357	E	50.5	Low	47	Very low	125 Å²	125	117.5 Å²	117.5	58%	0.584	57%	0.569	S	S	*	*	H	α-helix	trans	-70.9	-41	172	-73	-174.4	152.9	0	0	112.6	I353 T359 R360 L361	I353-E357 PolarHBondContact O-N 3.34Å; E357-T359 PolarHBondContact O-N 3.08Å; E357-R360 WeakPolarHBondContact O-CB 3.35Å; E357-R360 PolarHBondContact O-N 2.78Å; E357-L361 PolarHBondContact O-N 3.02Å
358	G	38.6	Very low	46.7	Very low	41 Å²	41	118.1 Å²	118.1	42%	0.423	57%	0.571	S	S	.	*	H	α-helix	trans	-65.3	-33.5	179.8	0	0	0	0	0	114.3	R354	R354-G358 PolarHBondContact O-N 2.88Å
359	T	41.9	Very low	45.8	Very low	92 Å²	92	118.8 Å²	118.8	56%	0.564	58%	0.575	S	S	*	*	H	α-helix	trans	-70.6	-34.8	174	47	0	0	0	0	112.1	K355 T356 E357 K362 Q363	K355-T359 PolarHBondContact O-N 3.32Å; K355-T359 PolarHBondContact O-OG1 3.35Å; T356-T359 PolarHBondContact O-OG1 2.93Å; E357-T359 PolarHBondContact O-N 3.08Å; T359-K362 PolarHBondContact O-N 2.78Å; T359-Q363 PolarHBondContact O-N 2.99Å
360	R	39.9	Very low	44.8	Very low	181 Å²	181	125.2 Å²	125.2	68%	0.683	59%	0.593	S	S	*	*	H	α-helix	trans	-64.8	-39.6	177.7	-143	172.7	80.6	162.9	3.9	112.1	E357 Q363 N364	E357-R360 WeakPolarHBondContact O-CB 3.35Å; E357-R360 PolarHBondContact O-N 2.78Å; R360-Q363 PolarHBondContact O-N 2.91Å; R360-N364 PolarHBondContact O-N 3.45Å
361	L	38.8	Very low	44.2	Very low	120 Å²	120	130.4 Å²	130.4	63%	0.628	61%	0.611	S	S	*	*	H	α-helix	trans	-67.3	-39.5	179.7	-142.4	112.9	0	0	0	112.5	E357 Q363 N364 L365	E357-L361 PolarHBondContact O-N 3.02Å; L361-Q363 PolarHBondContact O-N 2.76Å; L361-N364 PolarHBondContact O-N 2.69Å; L361-L365 HydrophobicContact CD2-CD1 4.09Å; L361-L365 PolarHBondContact O-N 3.45Å
362	K	41.8	Very low	43	Very low	160 Å²	160	133.5 Å²	133.5	70%	0.696	63%	0.625	S	S	*	*	H	α-helix	trans	-66.5	-34.5	177.4	-91.7	-177.4	176.1	176.5	0	113.3	T359 R366	T359-K362 PolarHBondContact O-N 2.78Å; K362-R366 PolarHBondContact O-N 3.36Å
363	Q	39.8	Very low	41.8	Very low	140 Å²	140	131.7 Å²	131.7	65%	0.654	63%	0.627	S	S	*	*	H	α-helix	trans	-68.8	-42.6	175.9	-93.8	-178.5	-21.1	0	0	112	T359 R360 L361 L365 R366 L367	T359-Q363 PolarHBondContact O-N 2.99Å; R360-Q363 PolarHBondContact O-N 2.91Å; L361-Q363 PolarHBondContact O-N 2.76Å; Q363-L365 PolarHBondContact O-N 3.13Å; Q363-R366 PolarHBondContact O-N 3.48Å; Q363-L367 PolarHBondContact O-N 3.03Å
364	N	42.9	Very low	40.7	Very low	92 Å²	92	132.7 Å²	132.7	49%	0.492	64%	0.642	S	S	.	*	H	α-helix	trans	-64.5	-39.9	179.1	-80	-31.4	0	0	0	112.8	R360 L361 R366 L367 I368	R360-N364 PolarHBondContact O-N 3.45Å; L361-N364 PolarHBondContact O-N 2.69Å; N364-R366 PolarHBondContact O-N 3.44Å; N364-L367 PolarHBondContact O-N 3.38Å; N364-I368 WeakPolarHBondContact O-CG1 3.41Å; N364-I368 PolarHBondContact O-N 3.46Å
365	L	38.3	Very low	39.2	Very low	94 Å²	94	131 Å²	131	49%	0.492	65%	0.65	S	S	.	*	H	α-helix	trans	-65	-35.4	176.9	-89.7	151.9	0	0	0	113.4	L361 Q363 L367 I368 N369	L361-L365 HydrophobicContact CD2-CD1 4.09Å; L361-L365 PolarHBondContact O-N 3.45Å; Q363-L365 PolarHBondContact O-N 3.13Å; L365-L367 VanDerWaalsContact C-N 3.32Å; L365-L367 PolarHBondContact O-N 3.27Å; L365-I368 PolarHBondContact O-N 2.99Å; L365-N369 PolarHBondContact O-N 3.38Å
366	R	35.8	Very low	37.8	Very low	204 Å²	204	129.9 Å²	129.9	77%	0.77	66%	0.657	S	S	*	*	H	α-helix	trans	-67.4	-32	175.3	-78.2	-177.3	176.6	171.9	-1	112.8	K362 Q363 N364	K362-R366 PolarHBondContact O-N 3.36Å; Q363-R366 PolarHBondContact O-N 3.48Å; N364-R366 PolarHBondContact O-N 3.44Å
367	L	43.7	Very low	36.8	Very low	124 Å²	124	129 Å²	129	65%	0.649	67%	0.666	S	S	*	*	H	α-helix	trans	-72.6	-35.4	177.5	-77.5	159.4	0	0	0	112.1	Q363 N364 L365	Q363-L367 PolarHBondContact O-N 3.03Å; N364-L367 PolarHBondContact O-N 3.38Å; L365-L367 VanDerWaalsContact C-N 3.32Å; L365-L367 PolarHBondContact O-N 3.27Å
368	I	46.5	Very low	35.5	Very low	108 Å²	108	131.1 Å²	131.1	55%	0.554	68%	0.681	S	S	*	*	H	α-helix	trans	-70.3	-42	179.1	-64.2	165.2	0	0	0	111.1	N364 L365 R370 K371	N364-I368 WeakPolarHBondContact O-CG1 3.41Å; N364-I368 PolarHBondContact O-N 3.46Å; L365-I368 PolarHBondContact O-N 2.99Å; I368-R370 VanDerWaalsContact C-N 3.3Å; I368-R370 PolarHBondContact O-N 3.4Å; I368-K371 PolarHBondContact O-N 3.42Å
369	N	35.4	Very low	34.9	Very low	123 Å²	123	139 Å²	139	66%	0.658	70%	0.704	S	S	*	*	H	α-helix	trans	-70.9	-18.4	-175.4	-79	-11.9	0	0	0	114.9	L365	L365-N369 PolarHBondContact O-N 3.38Å
370	R	34.6	Very low	33.9	Very low	219 Å²	219	143.9 Å²	143.9	83%	0.826	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-19.7	175.7	-96.4	-175.9	172.3	175.7	-2.5	114.1	I368	I368-R370 VanDerWaalsContact C-N 3.3Å; I368-R370 PolarHBondContact O-N 3.4Å
371	K	40.2	Very low	33.2	Very low	147 Å²	147	141.1 Å²	141.1	64%	0.639	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	1.1	-172.9	-90	-170.7	176.6	-172.7	0	116.1	I368 S373 Y383	I368-K371 PolarHBondContact O-N 3.42Å; K371-S373 PolarHBondContact O-N 3.45Å; K371-Y383 PolarHBondContact NZ-OH 2.86Å
372	K	34.2	Very low	32.7	Very low	195 Å²	195	139.6 Å²	139.6	85%	0.848	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	7.8	170.8	-81.5	-170.3	175.2	-176.7	0	114.7
373	S	31.8	Very low	32.2	Very low	95 Å²	95	141.1 Å²	141.1	66%	0.664	72%	0.723	S	S	*	*	S	Bend	trans	-135.4	74.1	177.7	58	0	0	0	0	111.8	K371	K371-S373 PolarHBondContact O-N 3.45Å
374	S	28.9	Very low	31.6	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	73%	0.731	S	S	*	*			trans	-177.5	107.9	148.5	25.2	0	0	0	0	110.4
375	T	22.8	Very low	30.9	Very low	127 Å²	127	143.5 Å²	143.5	78%	0.779	74%	0.744	S	S	*	*			trans	-58.8	157.4	160.7	-37.5	0	0	0	0	110.7
376	T	23.8	Very low	30.4	Very low	140 Å²	140	144.1 Å²	144.1	86%	0.859	75%	0.754	S	S	*	*			trans	81.4	121.9	167.8	62.6	0	0	0	0	119.1
377	G	22.9	Very low	30.2	Very low	73 Å²	73	140 Å²	140	75%	0.753	75%	0.753	S	S	*	*			trans	101.5	113.6	137.6	0	0	0	0	0	118.2
378	N	23.4	Very low	29.5	Very low	168 Å²	168	139.6 Å²	139.6	90%	0.898	76%	0.758	S	S	*	*			trans	77.4	109.6	153.1	-68.1	-4.3	0	0	0	120.7	K380	N378-K380 PolarHBondContact O-N 3.46Å
379	K	24.9	Very low	28.6	Very low	207 Å²	207	142.5 Å²	142.5	90%	0.9	77%	0.774	S	S	*	*			trans	-54.9	115	158.8	-67.1	172.9	174.9	177.5	0	110.8
380	K	22.6	Very low	28.4	Very low	195 Å²	195	140.4 Å²	140.4	85%	0.848	76%	0.763	S	S	*	*			trans	-169.1	132.2	146.7	-104.9	171.7	-171.3	-175	0	111.2	N378	N378-K380 PolarHBondContact O-N 3.46Å
381	T	24.3	Very low	28.4	Very low	122 Å²	122	134 Å²	134	75%	0.748	75%	0.749	S	S	*	*			trans	71.9	118.5	149.6	59.5	0	0	0	0	122.4
382	S	28	Very low	28.2	Very low	89 Å²	89	131 Å²	131	62%	0.622	74%	0.74	S	S	*	*			trans	63.1	127.1	135.4	69.5	0	0	0	0	121.5
383	Y	31.4	Very low	27.9	Very low	192 Å²	192	124.4 Å²	124.4	75%	0.753	73%	0.728	S	S	*	*			trans	-124.8	91.3	144.4	-68.7	-76.5	0	0	0	109	K371 V385	K371-Y383 PolarHBondContact NZ-OH 2.86Å; Y383-V385 PolarHBondContact O-N 3.32Å
384	N	27.4	Very low	27.9	Very low	155 Å²	155	125.3 Å²	125.3	83%	0.829	72%	0.721	S	S	*	*			trans	-69.4	103.5	164.9	-91.3	-27.4	0	0	0	108.4
385	V	28.5	Very low	28.1	Very low	126 Å²	126	125.2 Å²	125.2	76%	0.764	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-94.8	120.3	161.4	-179	0	0	0	0	106.7	Y383	Y383-V385 PolarHBondContact O-N 3.32Å
386	P	28.3	Very low	28.6	Very low	107 Å²	107	128.9 Å²	128.9	70%	0.695	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-64.2	145.3	176.4	25	-31.3	0	0	0	110.6
387	P	30.6	Very low	28.9	Very low	118 Å²	118	127 Å²	127	77%	0.766	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-67.5	139.9	-171.3	25.8	-33.3	0	0	0	111.9
388	P	28.5	Very low	29.2	Very low	116 Å²	116	127 Å²	127	75%	0.753	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-67	145.7	165.7	28	-31.1	0	0	0	110.5	N390	P388-N390 PolarHBondContact O-N 3.37Å
389	L	27.8	Very low	29.9	Very low	169 Å²	169	122.8 Å²	122.8	89%	0.885	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-58.5	134.1	178.1	-83.7	141.3	0	0	0	111.1
390	N	32.1	Very low	30.3	Very low	78 Å²	78	117.7 Å²	117.7	42%	0.417	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-50.6	123.8	171.4	-176.1	2.4	0	0	0	109.6	P388 L392 G393	P388-N390 PolarHBondContact O-N 3.37Å; N390-L392 PolarHBondContact O-N 2.94Å; N390-L392 VanDerWaalsContact O-N 3.14Å; N390-L392 PolarHBondContact OD1-N 2.87Å; N390-G393 WeakPolarHBondContact O-CA 3.37Å; N390-G393 PolarHBondContact O-N 3.47Å
391	P	34	Very low	30.5	Very low	84 Å²	84	117 Å²	117	55%	0.545	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.4	-8.6	174.2	25.1	-31.3	0	0	0	113.1
392	L	36.1	Very low	30.8	Very low	84 Å²	84	114.9 Å²	114.9	44%	0.44	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100	20.7	165.9	-79.2	140.4	0	0	0	113	N390 H394	N390-L392 PolarHBondContact O-N 2.94Å; N390-L392 VanDerWaalsContact O-N 3.14Å; N390-L392 PolarHBondContact OD1-N 2.87Å; L392-H394 PolarHBondContact O-N 3.29Å
393	G	27.8	Very low	31	Very low	58 Å²	58	116.9 Å²	116.9	60%	0.598	62%	0.62	S	S	*	*			trans	-63.5	20.3	171.2	0	0	0	0	0	114.8	N390 N395	N390-G393 WeakPolarHBondContact O-CA 3.37Å; N390-G393 PolarHBondContact O-N 3.47Å; G393-N395 PolarHBondContact O-N 2.98Å
394	H	32.5	Very low	30.9	Very low	113 Å²	113	111.5 Å²	111.5	52%	0.523	62%	0.615	S	S	.	*			trans	-74.2	108.5	166.4	-74.3	-47.3	0	0	0	107.9	L392 D398	L392-H394 PolarHBondContact O-N 3.29Å; H394-D398 HydrophobicContact CB-CB 3.47Å; H394-D398 VanDerWaalsContact CB-CB 3.47Å; H394-D398 IonicContact CE1-OD2 2.88Å; H394-D398 IonicContact CG-OD2 3.44Å; H394-D398 WeakPolarHBondContact ND1-CB 3.5Å; H394-D398 IonicContact ND1-OD2 3.91Å; H394-D398 PolarHBondContact ND1-OD2 3.4Å
395	N	31.9	Very low	30.9	Very low	108 Å²	108	109.2 Å²	109.2	58%	0.578	61%	0.607	S	S	*	*			trans	-45.6	147.2	162.5	-179.1	-0.1	0	0	0	108.2	G393 N397 D398	G393-N395 PolarHBondContact O-N 2.98Å; N395-N397 CarbonylContact O-C 3.59Å; N395-N397 PolarHBondContact O-N 2.88Å; N395-D398 WeakPolarHBondContact O-CB 3.38Å; N395-D398 PolarHBondContact O-N 3.01Å
396	R	33.2	Very low	30.9	Very low	205 Å²	205	110 Å²	110	77%	0.774	61%	0.611	S	S	*	*	H	α-helix	trans	-41.8	-28.9	179.9	-177	175.9	161.5	163.4	-3.7	114	L400	R396-L400 WeakPolarHBondContact O-CG 3.45Å; R396-L400 PolarHBondContact O-N 3Å
397	N	30.9	Very low	30.8	Very low	100 Å²	100	109.3 Å²	109.3	54%	0.535	62%	0.615	S	S	.	*	H	α-helix	trans	-69.2	-34.8	175.4	-64.4	-12.7	0	0	0	115	N395 L400 R401	N395-N397 CarbonylContact O-C 3.59Å; N395-N397 PolarHBondContact O-N 2.88Å; N397-L400 PolarHBondContact O-N 3.41Å; N397-R401 PolarHBondContact O-N 3.31Å; N397-R401 VanDerWaalsContact O-N 3.14Å
398	D	29.9	Very low	30.7	Very low	72 Å²	72	110 Å²	110	39%	0.385	62%	0.622	S	S	.	*	H	α-helix	trans	-71.9	-33.8	175.7	-78.6	-8.1	0	0	0	111	H394 N395 L400 R401 S402	H394-D398 HydrophobicContact CB-CB 3.47Å; H394-D398 VanDerWaalsContact CB-CB 3.47Å; H394-D398 IonicContact CE1-OD2 2.88Å; H394-D398 IonicContact CG-OD2 3.44Å; H394-D398 WeakPolarHBondContact ND1-CB 3.5Å; H394-D398 IonicContact ND1-OD2 3.91Å; H394-D398 PolarHBondContact ND1-OD2 3.4Å; N395-D398 WeakPolarHBondContact O-CB 3.38Å; N395-D398 PolarHBondContact O-N 3.01Å; D398-L400 VanDerWaalsContact C-N 3.34Å; D398-R401 WeakPolarHBondContact O-CB 3.31Å; D398-R401 PolarHBondContact O-N 3.49Å; D398-S402 PolarHBondContact O-N 3Å
399	L	37.2	Very low	30.5	Very low	80 Å²	80	107.6 Å²	107.6	42%	0.419	62%	0.619	S	S	.	*	H	α-helix	trans	-61.3	-44.8	171.9	-158.8	83.6	0	0	0	110.3	R401 S402 H403	L399-R401 VanDerWaalsContact C-N 3.27Å; L399-R401 PolarHBondContact O-N 2.98Å; L399-S402 PolarHBondContact O-N 3.26Å; L399-S402 VanDerWaalsContact O-N 3.11Å; L399-S402 PolarHBondContact O-OG 3.03Å; L399-H403 PolarHBondContact O-CD2 2.73Å; L399-H403 PolarHBondContact O-N 3.49Å; L399-H403 VanDerWaalsContact O-N 3.11Å
400	L	33.1	Very low	30.4	Very low	101 Å²	101	107.9 Å²	107.9	53%	0.529	62%	0.621	S	S	.	*	H	α-helix	trans	-62	-32.6	175	-69.3	169.3	0	0	0	112.7	R396 N397 D398 H403 A404	R396-L400 WeakPolarHBondContact O-CG 3.45Å; R396-L400 PolarHBondContact O-N 3Å; N397-L400 PolarHBondContact O-N 3.41Å; D398-L400 VanDerWaalsContact C-N 3.34Å; L400-H403 PolarHBondContact O-N 3.07Å; L400-A404 PolarHBondContact O-N 2.94Å
401	R	26.7	Very low	30.1	Very low	180 Å²	180	109 Å²	109	68%	0.679	63%	0.633	S	S	*	*	H	α-helix	trans	-68	-42.5	170.9	-88	-177.1	-178.4	-95.9	-1.1	112.5	N397 D398 L399 H403 A404 T405	N397-R401 PolarHBondContact O-N 3.31Å; N397-R401 VanDerWaalsContact O-N 3.14Å; D398-R401 WeakPolarHBondContact O-CB 3.31Å; D398-R401 PolarHBondContact O-N 3.49Å; L399-R401 VanDerWaalsContact C-N 3.27Å; L399-R401 PolarHBondContact O-N 2.98Å; R401-H403 PolarHBondContact O-N 2.79Å; R401-A404 PolarHBondContact O-N 2.91Å; R401-T405 PolarHBondContact O-N 3Å; R401-T405 PolarHBondContact O-OG1 3.08Å
402	S	30.3	Very low	29.6	Very low	78 Å²	78	113.5 Å²	113.5	55%	0.545	65%	0.647	S	S	.	*	H	α-helix	trans	-63.6	-25.1	177.3	72.1	0	0	0	0	113.4	D398 L399 A404	D398-S402 PolarHBondContact O-N 3Å; L399-S402 PolarHBondContact O-N 3.26Å; L399-S402 VanDerWaalsContact O-N 3.11Å; L399-S402 PolarHBondContact O-OG 3.03Å; S402-A404 VanDerWaalsContact C-N 3.35Å
403	H	32.6	Very low	28.9	Very low	130 Å²	130	118.2 Å²	118.2	60%	0.602	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-14.9	172.5	-68.2	-58.5	0	0	0	114	L399 L400 R401	L399-H403 PolarHBondContact O-CD2 2.73Å; L399-H403 PolarHBondContact O-N 3.49Å; L399-H403 VanDerWaalsContact O-N 3.11Å; L400-H403 PolarHBondContact O-N 3.07Å; R401-H403 PolarHBondContact O-N 2.79Å
404	A	30.1	Very low	28.6	Very low	80 Å²	80	119.4 Å²	119.4	66%	0.661	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	-9.3	-168.6	0	0	0	0	0	115.6	L400 R401 S402	L400-A404 PolarHBondContact O-N 2.94Å; R401-A404 PolarHBondContact O-N 2.91Å; S402-A404 VanDerWaalsContact C-N 3.35Å
405	T	26.1	Very low	28.2	Very low	107 Å²	107	121.7 Å²	121.7	66%	0.656	68%	0.677	S	S	*	*			trans	-128	87.7	-177	44.1	0	0	0	0	113.8	R401	R401-T405 PolarHBondContact O-N 3Å; R401-T405 PolarHBondContact O-OG1 3.08Å
406	V	29.7	Very low	27.8	Very low	141 Å²	141	125.8 Å²	125.8	86%	0.855	69%	0.689	S	S	*	*			trans	-126.5	107.8	150.2	-170.1	0	0	0	0	107.3
407	A	25.6	Very low	27.4	Very low	93 Å²	93	124.2 Å²	124.2	77%	0.769	69%	0.694	S	S	*	*			trans	-71.9	126.2	-176.9	0	0	0	0	0	111.2	G409	A407-G409 PolarHBondContact O-N 3.18Å
408	S	27.8	Very low	27.1	Very low	132 Å²	132	124.5 Å²	124.5	92%	0.923	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	101.4	168.4	-83.2	0	0	0	0	110.2
409	G	26	Very low	26.8	Very low	67 Å²	67	126.7 Å²	126.7	69%	0.691	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.8	-19.4	175.2	0	0	0	0	0	116.8	A407 C411	A407-G409 PolarHBondContact O-N 3.18Å; G409-C411 VanDerWaalsContact C-N 3.31Å; G409-C411 PolarHBondContact O-N 3.37Å
410	L	24.2	Very low	26.1	Very low	175 Å²	175	128.2 Å²	128.2	92%	0.916	74%	0.743	S	S	*	*			trans	-91.9	38.5	-176	-91.4	152.8	0	0	0	114.1
411	C	26.3	Very low	25.8	Very low	100 Å²	100	129 Å²	129	68%	0.676	76%	0.757	S	S	*	*			trans	-126.7	53.9	175.1	-72.1	0	0	0	0	111.7	G409	G409-C411 VanDerWaalsContact C-N 3.31Å; G409-C411 PolarHBondContact O-N 3.37Å
412	Q	22.7	Very low	25.7	Very low	180 Å²	180	128.8 Å²	128.8	84%	0.841	77%	0.765	S	S	*	*			trans	-141.4	92.1	161.3	-77.3	-169.5	-8.2	0	0	109
413	Q	22.2	Very low	25.6	Very low	183 Å²	183	133.7 Å²	133.7	86%	0.855	79%	0.785	S	S	*	*			trans	173.6	89.7	151.2	-97.7	162.9	24.2	0	0	107.4
414	S	21.6	Very low	25.1	Very low	82 Å²	82	131.7 Å²	131.7	57%	0.573	79%	0.785	S	S	*	*				81.5	130.3	72.6	72.3	0	0	0	0	114.8
415	H	23.9	Very low	24.8	Very low	162 Å²	162	133.9 Å²	133.9	75%	0.75	79%	0.791	S	S	*	*			trans	84.9	115.2	156.5	-46	-67.8	0	0	0	118.7
416	K	24	Very low	24.8	Very low	193 Å²	193	136.9 Å²	136.9	84%	0.839	80%	0.802	S	S	*	*				165	109.1	96.7	-85.5	171.4	-173.5	174.4	0	109.8
417	I	24.1	Very low	24.4	Very low	172 Å²	172	133.3 Å²	133.3	88%	0.882	79%	0.794	S	S	*	*			trans	-102.3	114.8	150.8	-61.3	172.5	0	0	0	105.7
418	S	24.7	Very low	24.3	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	80%	0.796	S	S	*	*			trans	-88.3	130.5	164.7	-80.6	0	0	0	0	108.8
419	S	24.9	Very low	24.1	Very low	118 Å²	118	137.6 Å²	137.6	83%	0.825	79%	0.788	S	S	*	*			trans	-177.8	140.3	136.1	29.3	0	0	0	0	111.2
420	S	21.8	Very low	24	Very low	113 Å²	113	140 Å²	140	79%	0.79	78%	0.784	S	S	*	*			trans	-128.7	154.8	174.1	51.9	0	0	0	0	107.9
421	S	26.7	Very low	24	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	78%	0.777	S	S	*	*			trans	88.8	104.1	-175.8	74.5	0	0	0	0	114.9
422	M	24.1	Very low	24.1	Very low	175 Å²	175	139.7 Å²	139.7	86%	0.862	78%	0.782	S	S	*	*				76	84.3	61.2	-70.4	-83	152.1	0	0	113.9
423	L	28.2	Very low	24.4	Very low	182 Å²	182	135.6 Å²	135.6	95%	0.953	77%	0.773	S	S	*	*			trans	-156.7	139.9	140	-102.4	151.8	0	0	0	108.2
424	S	22.8	Very low	24.8	Very low	87 Å²	87	133.5 Å²	133.5	61%	0.608	77%	0.768	S	S	*	*			trans	-113.5	167.3	-150.6	-48	0	0	0	0	112.9
425	T	23.6	Very low	25.1	Very low	127 Å²	127	137.3 Å²	137.3	78%	0.779	78%	0.782	S	S	*	*			trans	79.9	126.6	149.2	49.2	0	0	0	0	120.8
426	N	25.7	Very low	25.4	Very low	169 Å²	169	134.8 Å²	134.8	90%	0.904	78%	0.778	S	S	*	*			trans	82.3	109.9	171.6	-57.3	1	0	0	0	114.3
427	G	22.5	Very low	25.6	Very low	66 Å²	66	135.2 Å²	135.2	68%	0.68	78%	0.78	S	S	*	*			cis	146.8	129.7	10.5	0	0	0	0	0	108.6
428	L	22.8	Very low	25.9	Very low	156 Å²	156	137.3 Å²	137.3	82%	0.817	78%	0.778	S	S	*	*			trans	86.2	96.6	157.9	-76.9	73.1	0	0	0	119.5
429	H	23	Very low	26.1	Very low	159 Å²	159	137.9 Å²	137.9	74%	0.736	78%	0.777	S	S	*	*				111.5	126.1	104.8	-96	-63	0	0	0	119.5
430	N	24.9	Very low	26.5	Very low	117 Å²	117	137.3 Å²	137.3	63%	0.626	77%	0.771	S	S	*	*			trans	83.3	74.8	153.2	-69.3	4.1	0	0	0	117.5	D432	N430-D432 PolarHBondContact O-N 3.38Å
431	T	24.8	Very low	27.4	Very low	123 Å²	123	138.1 Å²	138.1	76%	0.755	77%	0.771	S	S	*	*				-21.6	119.4	113	47.1	0	0	0	0	113
432	D	28.2	Very low	28.1	Very low	147 Å²	147	138 Å²	138	79%	0.786	76%	0.761	S	S	*	*			trans	-140.5	102.2	136.2	-94.9	-34.1	0	0	0	110.3	N430 N434	N430-D432 PolarHBondContact O-N 3.38Å; D432-N434 PolarHBondContact O-N 3.01Å
433	S	28.4	Very low	29.5	Very low	94 Å²	94	133.1 Å²	133.1	66%	0.657	74%	0.742	S	S	*	*			trans	-33.7	121.1	153.8	45	0	0	0	0	113.5
434	N	31.4	Very low	31.1	Very low	139 Å²	139	128.1 Å²	128.1	74%	0.743	71%	0.713	S	S	*	*			trans	-141.3	81.6	132	-100.4	-14.4	0	0	0	108.4	D432 T436	D432-N434 PolarHBondContact O-N 3.01Å; N434-T436 PolarHBondContact O-N 3.15Å; N434-T436 PolarHBondContact O-OG1 3.04Å
435	N	25.9	Very low	33.2	Very low	162 Å²	162	127.8 Å²	127.8	87%	0.866	70%	0.704	S	S	*	*			trans	-55.7	77.8	161.1	-111.2	-11.7	0	0	0	108.4	K437	N435-K437 PolarHBondContact O-N 3.23Å; N435-K437 VanDerWaalsContact O-N 3.1Å
436	T	31.1	Very low	35.3	Very low	108 Å²	108	121.8 Å²	121.8	66%	0.663	67%	0.667	S	S	*	*			trans	-65.7	111.8	163.2	9.6	0	0	0	0	105.5	N434 Y438	N434-T436 PolarHBondContact O-N 3.15Å; N434-T436 PolarHBondContact O-OG1 3.04Å; T436-Y438 VanDerWaalsContact C-N 3.33Å; T436-Y438 WeakPolarHBondContact O-CD2 3.5Å; T436-Y438 PolarHBondContact O-N 3.34Å
437	K	28.8	Very low	37.3	Very low	202 Å²	202	118.7 Å²	118.7	88%	0.878	65%	0.65	S	S	*	*			trans	-49.5	93.1	-178.9	-67.2	167	178.3	172	0	109.5	N435 T439	N435-K437 PolarHBondContact O-N 3.23Å; N435-K437 VanDerWaalsContact O-N 3.1Å; K437-T439 PolarHBondContact O-N 3.34Å
438	Y	29.2	Very low	39.4	Very low	216 Å²	216	119.1 Å²	119.1	85%	0.847	64%	0.643	S	S	*	*			trans	-58.9	106.2	162.4	-84.5	-91	0	0	0	106.2	T436 P440	T436-Y438 VanDerWaalsContact C-N 3.33Å; T436-Y438 WeakPolarHBondContact O-CD2 3.5Å; T436-Y438 PolarHBondContact O-N 3.34Å; Y438-P440 WeakPolarHBondContact O-CD 3.3Å; Y438-P440 VanDerWaalsContact O-N 3.1Å
439	T	29.4	Very low	41.6	Very low	118 Å²	118	111.7 Å²	111.7	72%	0.724	60%	0.604	S	S	*	*			trans	-57.7	112.8	157.5	46.5	0	0	0	0	105	K437 T441	K437-T439 PolarHBondContact O-N 3.34Å; T439-T441 PolarHBondContact O-N 3.32Å
440	P	33	Very low	44	Very low	107 Å²	107	105.6 Å²	105.6	70%	0.695	58%	0.578	S	S	*	*			trans	-64.3	108.4	-178.4	25.9	-30	0	0	0	106.1	Y438 L442	Y438-P440 WeakPolarHBondContact O-CD 3.3Å; Y438-P440 VanDerWaalsContact O-N 3.1Å; P440-L442 PolarHBondContact O-N 3.47Å
441	T	40.4	Very low	46.3	Very low	129 Å²	129	102.3 Å²	102.3	79%	0.791	57%	0.571	S	S	*	*			trans	-57.8	95.7	160.7	30	0	0	0	0	105.1	T439 P443	T439-T441 PolarHBondContact O-N 3.32Å; T441-P443 WeakPolarHBondContact O-CD 3.35Å
442	L	43	Very low	48.4	Very low	115 Å²	115	98.6 Å²	98.6	60%	0.602	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-52.3	119.7	179	-94.1	119.9	0	0	0	107.1	P440 F444	P440-L442 PolarHBondContact O-N 3.47Å; L442-F444 PolarHBondContact O-N 2.66Å
443	P	53.5	Low	50.6	Low	73 Å²	73	91.6 Å²	91.6	47%	0.474	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-72.9	133.8	-170.6	34.2	-38.9	0	0	0	108.1	T441 N445 S482	T441-P443 WeakPolarHBondContact O-CD 3.35Å; P443-N445 PolarHBondContact O-N 3.46Å; P443-S482 VanDerWaalsContact CB-CB 3.41Å; P443-S482 VanDerWaalsContact CB-OG 3.28Å; P443-S482 WeakPolarHBondContact CB-OG 3.36Å; P443-S482 WeakPolarHBondContact CG-OG 3.33Å
444	F	60.7	Low	52.9	Low	76 Å²	76	89.9 Å²	89.9	33%	0.333	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.7	-175.4	-73.9	-99	0	0	0	108.4	L442 S482 V483 R485 W488	L442-F444 PolarHBondContact O-N 2.66Å; F444-S482 WeakPolarHBondContact O-CA 3.45Å; F444-V483 PolarHBondContact N-O 3.47Å; F444-V483 PolarHBondContact O-N 2.89Å; F444-R485 HydrophobicContact CD2-CB 3.99Å; F444-R485 HydrophobicContact CD2-CG 4.47Å; F444-R485 HydrophobicContact CE2-CB 3.53Å; F444-R485 HydrophobicContact CE2-CG 3.8Å; F444-R485 HydrophobicContact CZ-CB 4.16Å; F444-R485 HydrophobicContact CZ-CG 3.88Å; F444-W488 HydrophobicContact CB-CB 4.02Å; F444-W488 HydrophobicContact CB-CG 3.81Å; F444-W488 HydrophobicContact CD1-CD2 4.27Å; F444-W488 HydrophobicContact CD1-CG 4.33Å; F444-W488 HydrophobicContact CG-CB 4.39Å; F444-W488 HydrophobicContact CG-CG 4.22Å
445	N	66.4	Low	54.9	Low	81 Å²	81	86 Å²	86	43%	0.433	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.7	175.3	-169.4	-21.4	0	0	0	109.5	P443 L447	P443-N445 PolarHBondContact O-N 3.46Å; N445-L447 PolarHBondContact O-N 3.4Å; N445-L447 WeakPolarHBondContact OD1-CB 3.36Å; N445-L447 PolarHBondContact OD1-N 3.16Å
446	L	69.4	Low	57.2	Low	0 Å²	0	78.3 Å²	78.3	0%	0	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	10.1	178.5	-61.4	165.7	0	0	0	112.4	S448 L449 T450 I478 V483 W488 L816	L446-S448 PolarHBondContact O-N 2.92Å; L446-S448 VanDerWaalsContact O-N 3.14Å; L446-L449 HydrophobicContact CB-CD1 4.22Å; L446-L449 HydrophobicContact CD2-CD1 3.41Å; L446-L449 VanDerWaalsContact CD2-CD1 3.41Å; L446-L449 HydrophobicContact CD2-CG 4.44Å; L446-L449 HydrophobicContact CG-CD1 4.36Å; L446-L449 WeakPolarHBondContact O-CA 3.46Å; L446-L449 VanDerWaalsContact O-CB 3.3Å; L446-L449 WeakPolarHBondContact O-CB 3.45Å; L446-L449 PolarHBondContact O-N 3.35Å; L446-T450 PolarHBondContact O-N 2.75Å; L446-I478 HydrophobicContact CB-CG2 3.47Å; L446-I478 VanDerWaalsContact CB-CG2 3.47Å; L446-I478 HydrophobicContact CD1-CG2 3.86Å; L446-I478 HydrophobicContact CG-CG2 4.29Å; L446-V483 HydrophobicContact CD1-CG1 3.85Å; L446-V483 HydrophobicContact CD1-CG2 3.89Å; L446-V483 HydrophobicContact CD2-CG2 3.71Å; L446-V483 HydrophobicContact CG-CG2 3.86Å; L446-W488 VanDerWaalsContact CD2-CD1 3.5Å; L446-W488 HydrophobicContact CD2-CG 4.35Å; L446-L816 HydrophobicContact CD1-CD1 4.05Å; L446-L816 HydrophobicContact CD1-CD2 3.55Å
447	L	66.4	Low	59.1	Low	105 Å²	105	73.2 Å²	73.2	55%	0.55	40%	0.399	S	S	.	.	H	α-helix	trans	-54.1	-34.8	179.6	-166.3	68.4	0	0	0	112.7	N445 L449 T450	N445-L447 PolarHBondContact O-N 3.4Å; N445-L447 WeakPolarHBondContact OD1-CB 3.36Å; N445-L447 PolarHBondContact OD1-N 3.16Å; L447-L449 VanDerWaalsContact C-N 3.25Å; L447-L449 PolarHBondContact O-N 3.44Å; L447-T450 HydrophobicContact CD1-CG2 4.35Å; L447-T450 PolarHBondContact O-N 3.27Å; L447-T450 PolarHBondContact O-OG1 2.87Å
448	S	67.4	Low	61.2	Low	74 Å²	74	65.6 Å²	65.6	52%	0.517	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-31.5	174.6	54	0	0	0	0	113.3	L446	L446-S448 PolarHBondContact O-N 2.92Å; L446-S448 VanDerWaalsContact O-N 3.14Å
449	L	69.4	Low	63.1	Low	0 Å²	0	59.9 Å²	59.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-79.2	-24.4	179.7	-64.8	178.6	0	0	0	113.1	L446 L447 G451 Q452 L453 V491 H492 L495	L446-L449 HydrophobicContact CB-CD1 4.22Å; L446-L449 HydrophobicContact CD2-CD1 3.41Å; L446-L449 VanDerWaalsContact CD2-CD1 3.41Å; L446-L449 HydrophobicContact CD2-CG 4.44Å; L446-L449 HydrophobicContact CG-CD1 4.36Å; L446-L449 WeakPolarHBondContact O-CA 3.46Å; L446-L449 VanDerWaalsContact O-CB 3.3Å; L446-L449 WeakPolarHBondContact O-CB 3.45Å; L446-L449 PolarHBondContact O-N 3.35Å; L447-L449 VanDerWaalsContact C-N 3.25Å; L447-L449 PolarHBondContact O-N 3.44Å; L449-G451 PolarHBondContact O-N 3.23Å; L449-G451 VanDerWaalsContact O-N 3.15Å; L449-Q452 PolarHBondContact O-N 2.91Å; L449-L453 HydrophobicContact CB-CD1 4.47Å; L449-L453 PolarHBondContact O-N 3.47Å; L449-V491 HydrophobicContact CD1-CB 4.45Å; L449-V491 HydrophobicContact CD1-CG1 3.59Å; L449-H492 WeakPolarHBondContact CD2-CE1 3.44Å; L449-H492 VanDerWaalsContact CD2-NE2 3.26Å; L449-H492 WeakPolarHBondContact CD2-NE2 3.39Å; L449-L495 HydrophobicContact CB-CD1 4.3Å; L449-L495 HydrophobicContact CD1-CD1 4.15Å; L449-L495 HydrophobicContact CD2-CD1 3.57Å; L449-L495 HydrophobicContact CG-CD1 4.25Å
450	T	72.9	Confident	64.9	Low	31 Å²	31	55.5 Å²	55.5	19%	0.19	32%	0.322	C	S	.	.	H	α-helix	trans	-57.5	-33.3	-177.7	64.2	0	0	0	0	112.2	L446 L447 S454 I475	L446-T450 PolarHBondContact O-N 2.75Å; L447-T450 HydrophobicContact CD1-CG2 4.35Å; L447-T450 PolarHBondContact O-N 3.27Å; L447-T450 PolarHBondContact O-OG1 2.87Å; T450-S454 WeakPolarHBondContact O-CB 3.47Å; T450-S454 PolarHBondContact O-N 3.41Å; T450-I475 HydrophobicContact CG2-CG2 3.99Å
451	G	72.7	Confident	66.5	Low	48 Å²	48	50.8 Å²	50.8	50%	0.495	29%	0.291	S	S	.	.	H	α-helix	trans	-66.7	-41	173.8	0	0	0	0	0	113.6	L449 W455	L449-G451 PolarHBondContact O-N 3.23Å; L449-G451 VanDerWaalsContact O-N 3.15Å; G451-W455 PolarHBondContact O-N 3.41Å
452	Q	69.8	Low	67.6	Low	45 Å²	45	52.1 Å²	52.1	21%	0.21	29%	0.288	C	S	.	.	H	α-helix	trans	-71.2	-44	179.2	-66.1	-179.6	-3.4	0	0	111.6	L449 W455 L456	L449-Q452 PolarHBondContact O-N 2.91Å; Q452-W455 PolarHBondContact O-N 3.39Å; Q452-L456 WeakPolarHBondContact O-CB 3.4Å; Q452-L456 PolarHBondContact O-N 2.83Å
453	L	74.1	Confident	68.7	Low	1 Å²	1	55.2 Å²	55.2	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-44.2	173.9	-70.4	169.4	0	0	0	111	L449 W455 L456 I457 I475 I478 L495 L809 I812	L449-L453 HydrophobicContact CB-CD1 4.47Å; L449-L453 PolarHBondContact O-N 3.47Å; L453-W455 VanDerWaalsContact C-N 3.3Å; L453-W455 PolarHBondContact O-N 3.04Å; L453-L456 PolarHBondContact O-N 3.19Å; L453-I457 WeakPolarHBondContact O-CB 3.23Å; L453-I457 WeakPolarHBondContact O-CD1 3.45Å; L453-I457 WeakPolarHBondContact O-CG1 3.44Å; L453-I457 PolarHBondContact O-N 3.32Å; L453-I475 HydrophobicContact CB-CD1 4.15Å; L453-I475 HydrophobicContact CB-CG1 3.74Å; L453-I475 HydrophobicContact CD1-CG1 4.45Å; L453-I478 HydrophobicContact CD1-CD1 3.69Å; L453-I478 HydrophobicContact CD1-CG2 4.31Å; L453-L495 HydrophobicContact CD2-CD1 4.31Å; L453-L495 HydrophobicContact CD2-CD2 3.79Å; L453-L495 HydrophobicContact CG-CD1 4.34Å; L453-L495 HydrophobicContact CG-CD2 4.47Å; L453-L809 HydrophobicContact CD2-CD2 3.68Å; L453-I812 HydrophobicContact CD2-CD1 4Å
454	S	75.3	Confident	69.3	Low	57 Å²	57	54.3 Å²	54.3	40%	0.399	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-38.7	177.4	-178.1	0	0	0	0	112.1	T450 S458	T450-S454 WeakPolarHBondContact O-CB 3.47Å; T450-S454 PolarHBondContact O-N 3.41Å; S454-S458 WeakPolarHBondContact O-CB 3.44Å; S454-S458 PolarHBondContact O-N 2.95Å; S454-S458 PolarHBondContact O-OG 2.95Å
455	W	75.3	Confident	69.6	Low	57 Å²	57	52.3 Å²	52.3	22%	0.216	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-49.9	171.5	172.3	79.1	0	0	0	112.2	G451 Q452 L453 I457 S458 E459 Y460 T499 Y503	G451-W455 PolarHBondContact O-N 3.41Å; Q452-W455 PolarHBondContact O-N 3.39Å; L453-W455 VanDerWaalsContact C-N 3.3Å; L453-W455 PolarHBondContact O-N 3.04Å; W455-I457 VanDerWaalsContact C-N 3.31Å; W455-I457 PolarHBondContact O-N 3.41Å; W455-S458 PolarHBondContact O-N 2.96Å; W455-S458 VanDerWaalsContact O-N 3.16Å; W455-E459 WeakPolarHBondContact O-CB 3.32Å; W455-E459 PolarHBondContact O-N 3.3Å; W455-Y460 AromaticContact CH2-CE2 3.79Å; W455-Y460 HydrophobicContact CH2-CE2 3.79Å; W455-Y460 HydrophobicContact CZ2-CE2 4.15Å; W455-Y460 HydrophobicContact CZ3-CE2 4.17Å; W455-T499 HydrophobicContact CH2-CG2 4.37Å; W455-T499 HydrophobicContact CZ3-CG2 4.08Å; W455-Y503 AromaticContact CH2-CE2 3.89Å; W455-Y503 HydrophobicContact CH2-CE2 3.89Å; W455-Y503 AromaticContact CH2-CZ 3.99Å; W455-Y503 HydrophobicContact CZ2-CE2 4.28Å; W455-Y503 AromaticContact CZ2-CZ 3.9Å
456	L	73.3	Confident	69.4	Low	1 Å²	1	51.4 Å²	51.4	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-43.5	-178.6	-176.4	139.6	0	0	0	111.5	Q452 L453 Y460 T498 L502 A805 L809	Q452-L456 WeakPolarHBondContact O-CB 3.4Å; Q452-L456 PolarHBondContact O-N 2.83Å; L453-L456 PolarHBondContact O-N 3.19Å; L456-Y460 WeakPolarHBondContact O-CB 3.19Å; L456-Y460 WeakPolarHBondContact O-CD2 3.34Å; L456-Y460 PolarHBondContact O-N 2.92Å; L456-Y460 VanDerWaalsContact O-N 3.15Å; L456-T498 HydrophobicContact CD1-CG2 4.12Å; L456-L502 HydrophobicContact CD1-CD1 3.97Å; L456-A805 HydrophobicContact CD2-CB 3.75Å; L456-A805 HydrophobicContact CG-CB 4.06Å; L456-L809 HydrophobicContact CD2-CD1 3.89Å; L456-L809 HydrophobicContact CD2-CD2 4.07Å; L456-L809 HydrophobicContact CD2-CG 3.79Å
457	I	72	Confident	69.2	Low	2 Å²	2	52 Å²	52	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-70.1	-41.5	176.5	-68.6	154.6	0	0	0	111.5	L453 W455 E459 I461 Y468 A471 I475 L809	L453-I457 WeakPolarHBondContact O-CB 3.23Å; L453-I457 WeakPolarHBondContact O-CD1 3.45Å; L453-I457 WeakPolarHBondContact O-CG1 3.44Å; L453-I457 PolarHBondContact O-N 3.32Å; W455-I457 VanDerWaalsContact C-N 3.31Å; W455-I457 PolarHBondContact O-N 3.41Å; I457-E459 PolarHBondContact O-N 3.42Å; I457-I461 HydrophobicContact CB-CD1 4.39Å; I457-I461 HydrophobicContact CG1-CD1 3.94Å; I457-I461 HydrophobicContact CG2-CB 4.44Å; I457-I461 HydrophobicContact CG2-CD1 4.45Å; I457-I461 WeakPolarHBondContact O-CB 3.38Å; I457-I461 PolarHBondContact O-N 3.3Å; I457-Y468 HydrophobicContact CG2-CD2 3.46Å; I457-Y468 VanDerWaalsContact CG2-CD2 3.46Å; I457-Y468 HydrophobicContact CG2-CE2 3.56Å; I457-Y468 HydrophobicContact CG2-CG 4.25Å; I457-A471 HydrophobicContact CD1-CB 3.39Å; I457-A471 HydrophobicContact CG1-CB 3.7Å; I457-A471 HydrophobicContact CG2-CB 4.29Å; I457-I475 HydrophobicContact CD1-CD1 3.27Å; I457-I475 HydrophobicContact CD1-CG1 3.81Å; I457-L809 HydrophobicContact CD1-CD1 4.28Å; I457-L809 HydrophobicContact CD1-CD2 3.92Å; I457-L809 HydrophobicContact CG1-CD1 3.74Å; I457-L809 HydrophobicContact CG1-CD2 4.11Å
458	S	70.9	Confident	69.3	Low	41 Å²	41	49.5 Å²	49.5	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-68.7	-30.9	-177.8	-68.3	0	0	0	0	114.2	S454 W455	S454-S458 WeakPolarHBondContact O-CB 3.44Å; S454-S458 PolarHBondContact O-N 2.95Å; S454-S458 PolarHBondContact O-OG 2.95Å; W455-S458 PolarHBondContact O-N 2.96Å; W455-S458 VanDerWaalsContact O-N 3.16Å
459	E	69.7	Low	69.5	Low	96 Å²	96	52.2 Å²	52.2	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-93.3	-37.5	-175.1	-167	76.4	178.3	0	0	112.4	W455 I457 R506	W455-E459 WeakPolarHBondContact O-CB 3.32Å; W455-E459 PolarHBondContact O-N 3.3Å; I457-E459 PolarHBondContact O-N 3.42Å; E459-R506 IonicContact OE1-CZ 3.77Å; E459-R506 IonicContact OE1-NH1 3.95Å; E459-R506 PolarHBondContact OE1-NH1 3.27Å; E459-R506 IonicContact OE1-NH2 3.77Å
460	Y	67.7	Low	69.8	Low	26 Å²	26	53.7 Å²	53.7	10%	0.102	29%	0.287	C	S	.	.	H	α-helix	trans	-110.4	-16.2	-170.8	-62.6	-75	0	0	0	115.3	W455 L456 L502 L801 A802 A805	W455-Y460 AromaticContact CH2-CE2 3.79Å; W455-Y460 HydrophobicContact CH2-CE2 3.79Å; W455-Y460 HydrophobicContact CZ2-CE2 4.15Å; W455-Y460 HydrophobicContact CZ3-CE2 4.17Å; L456-Y460 WeakPolarHBondContact O-CB 3.19Å; L456-Y460 WeakPolarHBondContact O-CD2 3.34Å; L456-Y460 PolarHBondContact O-N 2.92Å; L456-Y460 VanDerWaalsContact O-N 3.15Å; Y460-L502 HydrophobicContact CD1-CD2 4.39Å; Y460-L502 HydrophobicContact CD2-CD1 3.96Å; Y460-L502 HydrophobicContact CE1-CD2 4.15Å; Y460-L502 HydrophobicContact CE2-CB 4.33Å; Y460-L502 HydrophobicContact CE2-CD1 3.7Å; Y460-L502 HydrophobicContact CE2-CD2 4.44Å; Y460-L502 HydrophobicContact CE2-CG 4.38Å; Y460-L801 HydrophobicContact CD1-CB 3.66Å; Y460-L801 HydrophobicContact CD1-CD1 4.44Å; Y460-L801 HydrophobicContact CE1-CB 3.9Å; Y460-L801 HydrophobicContact CE1-CD1 3.89Å; Y460-L801 HydrophobicContact CE1-CG 4.4Å; Y460-A802 WeakPolarHBondContact O-CB 3.5Å; Y460-A805 HydrophobicContact CG-CB 4.3Å
461	I	65.8	Low	69.9	Low	9 Å²	9	52.2 Å²	52.2	5%	0.046	28%	0.278	C	S	.	.	S	Bend	trans	-107.9	134.7	-179.7	-62.5	170.9	0	0	0	109.9	I457 R463 Y468 E806 L809	I457-I461 HydrophobicContact CB-CD1 4.39Å; I457-I461 HydrophobicContact CG1-CD1 3.94Å; I457-I461 HydrophobicContact CG2-CB 4.44Å; I457-I461 HydrophobicContact CG2-CD1 4.45Å; I457-I461 WeakPolarHBondContact O-CB 3.38Å; I457-I461 PolarHBondContact O-N 3.3Å; I461-R463 PolarHBondContact O-N 3.17Å; I461-Y468 HydrophobicContact CG2-CD2 4.25Å; I461-E806 HydrophobicContact CD1-CG 4.32Å; I461-E806 HydrophobicContact CG1-CG 4.4Å; I461-L809 HydrophobicContact CD1-CD1 3.25Å
462	E	64.7	Low	70.1	Confident	157 Å²	157	52.2 Å²	52.2	73%	0.734	27%	0.269	S	S	*	.			trans	-62.7	126	-179.2	-172.4	176.3	-175.2	0	0	111.9	G464 S465 Y468	E462-G464 PolarHBondContact O-N 3.44Å; E462-S465 PolarHBondContact O-N 3.31Å; E462-S465 PolarHBondContact O-OG 2.81Å; E462-S465 VanDerWaalsContact O-OG 3.08Å; E462-Y468 WeakPolarHBondContact O-CB 3.18Å
463	R	66.5	Low	70.4	Confident	179 Å²	179	56.3 Å²	56.3	68%	0.675	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	120.7	-179.9	-67.7	-175.4	179.7	-148.4	-3.8	110.9	I461 Y468	I461-R463 PolarHBondContact O-N 3.17Å; R463-Y468 HydrophobicContact CG-CD2 4.42Å; R463-Y468 HydrophobicContact CG-CE2 3.93Å
464	G	65.8	Low	70.5	Confident	55 Å²	55	56.6 Å²	56.6	57%	0.567	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	-8.4	178.6	0	0	0	0	0	114.3	E462	E462-G464 PolarHBondContact O-N 3.44Å
465	S	66.8	Low	70.6	Confident	33 Å²	33	54.8 Å²	54.8	23%	0.231	28%	0.275	C	S	.	.	S	Bend	trans	-61.5	156.1	169.4	73.1	0	0	0	0	110.9	E462 T467 Y468 K469	E462-S465 PolarHBondContact O-N 3.31Å; E462-S465 PolarHBondContact O-OG 2.81Å; E462-S465 VanDerWaalsContact O-OG 3.08Å; S465-T467 VanDerWaalsContact C-N 3.26Å; S465-T467 PolarHBondContact O-N 2.76Å; S465-Y468 WeakPolarHBondContact O-CB 3.38Å; S465-Y468 PolarHBondContact O-N 2.87Å; S465-Y468 WeakPolarHBondContact OG-CB 3.41Å; S465-Y468 PolarHBondContact OG-N 3.49Å; S465-K469 PolarHBondContact O-N 3.42Å; S465-K469 VanDerWaalsContact O-N 3.13Å
466	S	62.5	Low	70.6	Confident	63 Å²	63	56.6 Å²	56.6	44%	0.441	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-38.1	174.5	54.9	0	0	0	0	111	Y468 K469 W470 E824	S466-Y468 PolarHBondContact O-N 3.15Å; S466-K469 WeakPolarHBondContact O-CB 3.41Å; S466-K469 PolarHBondContact O-N 2.95Å; S466-W470 PolarHBondContact O-N 3.38Å; S466-E824 WeakPolarHBondContact CB-OE1 3.35Å; S466-E824 PolarHBondContact OG-OE1 2.69Å
467	T	63.6	Low	70.7	Confident	13 Å²	13	59.3 Å²	59.3	8%	0.08	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-40.8	170.9	-44.1	0	0	0	0	112.9	S465 W470 A471 E806	S465-T467 VanDerWaalsContact C-N 3.26Å; S465-T467 PolarHBondContact O-N 2.76Å; T467-W470 HydrophobicContact CG2-CE3 4.48Å; T467-A471 WeakPolarHBondContact O-CB 3.43Å; T467-A471 PolarHBondContact O-N 3.06Å; T467-E806 HydrophobicContact CG2-CG 4.1Å
468	Y	69.2	Low	70.8	Confident	52 Å²	52	59.2 Å²	59.2	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-41.1	175.3	-176.7	-85.5	0	0	0	111.9	I457 I461 E462 R463 S465 S466 T472	I457-Y468 HydrophobicContact CG2-CD2 3.46Å; I457-Y468 VanDerWaalsContact CG2-CD2 3.46Å; I457-Y468 HydrophobicContact CG2-CE2 3.56Å; I457-Y468 HydrophobicContact CG2-CG 4.25Å; I461-Y468 HydrophobicContact CG2-CD2 4.25Å; E462-Y468 WeakPolarHBondContact O-CB 3.18Å; R463-Y468 HydrophobicContact CG-CD2 4.42Å; R463-Y468 HydrophobicContact CG-CE2 3.93Å; S465-Y468 WeakPolarHBondContact O-CB 3.38Å; S465-Y468 PolarHBondContact O-N 2.87Å; S465-Y468 WeakPolarHBondContact OG-CB 3.41Å; S465-Y468 PolarHBondContact OG-N 3.49Å; S466-Y468 PolarHBondContact O-N 3.15Å; Y468-T472 WeakPolarHBondContact O-CB 3.25Å; Y468-T472 PolarHBondContact O-N 3.31Å; Y468-T472 PolarHBondContact O-OG1 3.12Å
469	K	71.1	Confident	70.8	Confident	131 Å²	131	58.1 Å²	58.1	57%	0.57	30%	0.302	S	S	*	.	H	α-helix	trans	-64.5	-51	176.7	-69.2	178.6	-177.2	175.1	0	111	S465 S466 A471 T472 E473	S465-K469 PolarHBondContact O-N 3.42Å; S465-K469 VanDerWaalsContact O-N 3.13Å; S466-K469 WeakPolarHBondContact O-CB 3.41Å; S466-K469 PolarHBondContact O-N 2.95Å; K469-A471 VanDerWaalsContact C-N 3.33Å; K469-A471 PolarHBondContact O-N 2.86Å; K469-T472 WeakPolarHBondContact O-CB 3.05Å; K469-T472 PolarHBondContact O-N 2.68Å; K469-E473 WeakPolarHBondContact O-CG 3.47Å; K469-E473 PolarHBondContact O-N 3.29Å
470	W	75.6	Confident	71	Confident	30 Å²	30	62.3 Å²	62.3	11%	0.114	32%	0.319	C	S	.	.	H	α-helix	trans	-56.3	-47	175.8	169.4	76.7	0	0	0	111.5	S466 T467 T472 E473 L474 L809 Y810 A813 V820	S466-W470 PolarHBondContact O-N 3.38Å; T467-W470 HydrophobicContact CG2-CE3 4.48Å; W470-T472 VanDerWaalsContact C-N 3.3Å; W470-T472 PolarHBondContact O-N 2.95Å; W470-E473 CarbonylContact O-C 3.54Å; W470-E473 WeakPolarHBondContact O-CB 3.3Å; W470-E473 PolarHBondContact O-N 3.33Å; W470-E473 VanDerWaalsContact O-N 3.16Å; W470-L474 HydrophobicContact CH2-CD2 3.83Å; W470-L474 HydrophobicContact CZ2-CD2 4.01Å; W470-L474 HydrophobicContact CZ3-CD2 4.33Å; W470-L474 WeakPolarHBondContact O-CB 3.27Å; W470-L474 PolarHBondContact O-N 2.93Å; W470-L809 HydrophobicContact CH2-CB 4.31Å; W470-L809 HydrophobicContact CZ3-CB 4.03Å; W470-Y810 AromaticContact CH2-CD1 3.69Å; W470-Y810 HydrophobicContact CH2-CD1 3.69Å; W470-Y810 AromaticContact CH2-CE1 3.71Å; W470-Y810 HydrophobicContact CH2-CE1 3.71Å; W470-Y810 HydrophobicContact CH2-CG 4.24Å; W470-Y810 HydrophobicContact CZ2-CD1 4.16Å; W470-Y810 HydrophobicContact CZ2-CE1 4.06Å; W470-Y810 HydrophobicContact CZ3-CD1 4.29Å; W470-Y810 AromaticContact CZ3-CE1 3.98Å; W470-Y810 HydrophobicContact CZ3-CE1 3.98Å; W470-Y810 HydrophobicContact CZ3-CE2 4.44Å; W470-A813 HydrophobicContact CH2-CB 4.08Å; W470-A813 HydrophobicContact CZ2-CB 3.87Å; W470-V820 HydrophobicContact CZ2-CG2 4.31Å
471	A	75.4	Confident	71.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-32.3	-178.9	0	0	0	0	0	112.3	I457 T467 K469 L474 I475 L809	I457-A471 HydrophobicContact CD1-CB 3.39Å; I457-A471 HydrophobicContact CG1-CB 3.7Å; I457-A471 HydrophobicContact CG2-CB 4.29Å; T467-A471 WeakPolarHBondContact O-CB 3.43Å; T467-A471 PolarHBondContact O-N 3.06Å; K469-A471 VanDerWaalsContact C-N 3.33Å; K469-A471 PolarHBondContact O-N 2.86Å; A471-L474 WeakPolarHBondContact O-CB 3.36Å; A471-L474 PolarHBondContact O-N 2.81Å; A471-I475 WeakPolarHBondContact O-CG1 3.38Å; A471-I475 PolarHBondContact O-N 3.35Å; A471-L809 HydrophobicContact CB-CD1 4.02Å
472	T	76.5	Confident	71.6	Confident	49 Å²	49	66.3 Å²	66.3	30%	0.301	35%	0.347	S	S	.	.	H	α-helix	trans	-68.6	-39.7	172.5	-54.5	0	0	0	0	111.6	Y468 K469 W470 I475 N476	Y468-T472 WeakPolarHBondContact O-CB 3.25Å; Y468-T472 PolarHBondContact O-N 3.31Å; Y468-T472 PolarHBondContact O-OG1 3.12Å; K469-T472 WeakPolarHBondContact O-CB 3.05Å; K469-T472 PolarHBondContact O-N 2.68Å; W470-T472 VanDerWaalsContact C-N 3.3Å; W470-T472 PolarHBondContact O-N 2.95Å; T472-I475 PolarHBondContact O-N 2.77Å; T472-N476 PolarHBondContact O-N 3.11Å; T472-N476 VanDerWaalsContact O-N 3.1Å; T472-N476 PolarHBondContact O-ND2 3.42Å
473	E	76.7	Confident	72	Confident	130 Å²	130	59.7 Å²	59.7	61%	0.607	32%	0.317	S	S	*	.	H	α-helix	trans	-65.4	-40.8	172.6	-71.4	174.3	-173.2	0	0	111.7	K469 W470 N476 S477	K469-E473 WeakPolarHBondContact O-CG 3.47Å; K469-E473 PolarHBondContact O-N 3.29Å; W470-E473 CarbonylContact O-C 3.54Å; W470-E473 WeakPolarHBondContact O-CB 3.3Å; W470-E473 PolarHBondContact O-N 3.33Å; W470-E473 VanDerWaalsContact O-N 3.16Å; E473-N476 CarbonylContact O-C 3.59Å; E473-N476 WeakPolarHBondContact O-CB 2.95Å; E473-N476 PolarHBondContact O-N 3.4Å; E473-N476 VanDerWaalsContact O-N 3.15Å; E473-S477 PolarHBondContact O-N 3.14Å
474	L	76.3	Confident	72.3	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.042	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-49	173.1	-178.6	68.5	0	0	0	110.6	W470 A471 N476 S477 I478 A813 C818	W470-L474 HydrophobicContact CH2-CD2 3.83Å; W470-L474 HydrophobicContact CZ2-CD2 4.01Å; W470-L474 HydrophobicContact CZ3-CD2 4.33Å; W470-L474 WeakPolarHBondContact O-CB 3.27Å; W470-L474 PolarHBondContact O-N 2.93Å; A471-L474 WeakPolarHBondContact O-CB 3.36Å; A471-L474 PolarHBondContact O-N 2.81Å; L474-N476 VanDerWaalsContact C-N 3.28Å; L474-N476 PolarHBondContact O-N 2.82Å; L474-S477 WeakPolarHBondContact O-CB 3.44Å; L474-S477 PolarHBondContact O-N 2.72Å; L474-S477 VanDerWaalsContact O-N 3.1Å; L474-I478 HydrophobicContact CD1-CD1 4.03Å; L474-I478 HydrophobicContact CD1-CG1 4.24Å; L474-I478 HydrophobicContact CD2-CD1 4.27Å; L474-I478 HydrophobicContact CG-CD1 3.71Å; L474-I478 HydrophobicContact CG-CG1 4.27Å; L474-I478 WeakPolarHBondContact O-CB 3.31Å; L474-I478 WeakPolarHBondContact O-CG1 3.25Å; L474-I478 PolarHBondContact O-N 3.4Å; L474-A813 HydrophobicContact CD1-CB 4.07Å; L474-A813 HydrophobicContact CD2-CB 4.08Å; L474-C818 HydrophobicContact CD1-CB 3.64Å
475	I	77.3	Confident	72.6	Confident	19 Å²	19	60.3 Å²	60.3	10%	0.097	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-43.7	174.8	-68.2	162.6	0	0	0	111.4	T450 L453 I457 A471 T472 S477 I478 G479	T450-I475 HydrophobicContact CG2-CG2 3.99Å; L453-I475 HydrophobicContact CB-CD1 4.15Å; L453-I475 HydrophobicContact CB-CG1 3.74Å; L453-I475 HydrophobicContact CD1-CG1 4.45Å; I457-I475 HydrophobicContact CD1-CD1 3.27Å; I457-I475 HydrophobicContact CD1-CG1 3.81Å; A471-I475 WeakPolarHBondContact O-CG1 3.38Å; A471-I475 PolarHBondContact O-N 3.35Å; T472-I475 PolarHBondContact O-N 2.77Å; I475-S477 VanDerWaalsContact C-N 3.3Å; I475-S477 PolarHBondContact O-N 3.3Å; I475-I478 PolarHBondContact O-N 3.48Å; I475-G479 PolarHBondContact O-N 3.26Å
476	N	75.4	Confident	72.7	Confident	95 Å²	95	62 Å²	62	51%	0.508	32%	0.323	S	S	.	.	H	α-helix	trans	-66.2	-32.8	179.2	-73	-31.1	0	0	0	112.5	T472 E473 L474 K480	T472-N476 PolarHBondContact O-N 3.11Å; T472-N476 VanDerWaalsContact O-N 3.1Å; T472-N476 PolarHBondContact O-ND2 3.42Å; E473-N476 CarbonylContact O-C 3.59Å; E473-N476 WeakPolarHBondContact O-CB 2.95Å; E473-N476 PolarHBondContact O-N 3.4Å; E473-N476 VanDerWaalsContact O-N 3.15Å; L474-N476 VanDerWaalsContact C-N 3.28Å; L474-N476 PolarHBondContact O-N 2.82Å; N476-K480 WeakPolarHBondContact O-CG 3.2Å
477	S	75.1	Confident	73.1	Confident	57 Å²	57	60.4 Å²	60.4	40%	0.399	31%	0.311	S	S	.	.	H	α-helix	trans	-69.1	-52.3	172.7	-169.1	0	0	0	0	110.4	E473 L474 I475 G479 K480 M481	E473-S477 PolarHBondContact O-N 3.14Å; L474-S477 WeakPolarHBondContact O-CB 3.44Å; L474-S477 PolarHBondContact O-N 2.72Å; L474-S477 VanDerWaalsContact O-N 3.1Å; I475-S477 VanDerWaalsContact C-N 3.3Å; I475-S477 PolarHBondContact O-N 3.3Å; S477-G479 VanDerWaalsContact C-N 3.3Å; S477-G479 PolarHBondContact O-N 2.81Å; S477-K480 WeakPolarHBondContact O-CA 3.47Å; S477-K480 WeakPolarHBondContact O-CB 3.29Å; S477-K480 PolarHBondContact O-N 3.48Å; S477-M481 WeakPolarHBondContact O-CG 3.43Å; S477-M481 PolarHBondContact O-N 2.99Å; S477-M481 VanDerWaalsContact O-N 3.14Å
478	I	74.4	Confident	73.5	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-55.8	-42.6	179	-69.6	177.3	0	0	0	111.5	L446 L453 L474 I475 K480 M481 I812 L816	L446-I478 HydrophobicContact CB-CG2 3.47Å; L446-I478 VanDerWaalsContact CB-CG2 3.47Å; L446-I478 HydrophobicContact CD1-CG2 3.86Å; L446-I478 HydrophobicContact CG-CG2 4.29Å; L453-I478 HydrophobicContact CD1-CD1 3.69Å; L453-I478 HydrophobicContact CD1-CG2 4.31Å; L474-I478 HydrophobicContact CD1-CD1 4.03Å; L474-I478 HydrophobicContact CD1-CG1 4.24Å; L474-I478 HydrophobicContact CD2-CD1 4.27Å; L474-I478 HydrophobicContact CG-CD1 3.71Å; L474-I478 HydrophobicContact CG-CG1 4.27Å; L474-I478 WeakPolarHBondContact O-CB 3.31Å; L474-I478 WeakPolarHBondContact O-CG1 3.25Å; L474-I478 PolarHBondContact O-N 3.4Å; I475-I478 PolarHBondContact O-N 3.48Å; I478-K480 PolarHBondContact O-N 2.86Å; I478-K480 VanDerWaalsContact O-N 3.13Å; I478-M481 PolarHBondContact O-N 3.39Å; I478-I812 HydrophobicContact CD1-CG2 4.26Å; I478-L816 HydrophobicContact CD1-CD1 3.54Å; I478-L816 HydrophobicContact CG1-CD1 3.64Å
479	G	71.9	Confident	73.7	Confident	17 Å²	17	63.8 Å²	63.8	18%	0.175	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.1	177.8	0	0	0	0	0	114.7	I475 S477	I475-G479 PolarHBondContact O-N 3.26Å; S477-G479 VanDerWaalsContact C-N 3.3Å; S477-G479 PolarHBondContact O-N 2.81Å
480	K	73.1	Confident	73.6	Confident	184 Å²	184	61.3 Å²	61.3	80%	0.8	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-9.4	174.9	-62.4	173.5	-173.8	174.6	0	112.7	N476 S477 I478	N476-K480 WeakPolarHBondContact O-CG 3.2Å; S477-K480 WeakPolarHBondContact O-CA 3.47Å; S477-K480 WeakPolarHBondContact O-CB 3.29Å; S477-K480 PolarHBondContact O-N 3.48Å; I478-K480 PolarHBondContact O-N 2.86Å; I478-K480 VanDerWaalsContact O-N 3.13Å
481	M	73.7	Confident	73.4	Confident	50 Å²	50	59.9 Å²	59.9	25%	0.246	32%	0.315	C	S	.	.			trans	-86.9	152.2	-178.6	-72	172.3	75.5	0	0	111.4	S477 I478 L816	S477-M481 WeakPolarHBondContact O-CG 3.43Å; S477-M481 PolarHBondContact O-N 2.99Å; S477-M481 VanDerWaalsContact O-N 3.14Å; I478-M481 PolarHBondContact O-N 3.39Å; M481-L816 HydrophobicContact CE-CB 4.28Å; M481-L816 WeakPolarHBondContact CE-O 3.4Å
482	S	72.8	Confident	73.3	Confident	69 Å²	69	62 Å²	62	48%	0.483	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	123.7	175.3	71.2	0	0	0	0	107.7	P443 F444	P443-S482 VanDerWaalsContact CB-CB 3.41Å; P443-S482 VanDerWaalsContact CB-OG 3.28Å; P443-S482 WeakPolarHBondContact CB-OG 3.36Å; P443-S482 WeakPolarHBondContact CG-OG 3.33Å; F444-S482 WeakPolarHBondContact O-CA 3.45Å
483	V	73.2	Confident	73.1	Confident	18 Å²	18	63.9 Å²	63.9	11%	0.109	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	169.2	-170.3	-65.9	0	0	0	0	112.3	F444 L446 T487 W488 L816	F444-V483 PolarHBondContact N-O 3.47Å; F444-V483 PolarHBondContact O-N 2.89Å; L446-V483 HydrophobicContact CD1-CG1 3.85Å; L446-V483 HydrophobicContact CD1-CG2 3.89Å; L446-V483 HydrophobicContact CD2-CG2 3.71Å; L446-V483 HydrophobicContact CG-CG2 3.86Å; V483-T487 HydrophobicContact CB-CG2 4.22Å; V483-T487 HydrophobicContact CG1-CG2 4.36Å; V483-W488 HydrophobicContact CG2-CB 3.97Å; V483-L816 HydrophobicContact CG1-CD2 3.75Å
484	T	73.3	Confident	72.8	Confident	78 Å²	78	60.3 Å²	60.3	48%	0.479	31%	0.314	S	S	.	.			trans	-65.6	159.8	172.7	75.1	0	0	0	0	111.1	S486 T487 W488	T484-S486 VanDerWaalsContact C-N 3.31Å; T484-S486 PolarHBondContact O-N 2.93Å; T484-S486 PolarHBondContact OG1-OG 3.39Å; T484-S486 VanDerWaalsContact OG1-OG 3.07Å; T484-T487 PolarHBondContact O-N 3.37Å; T484-T487 PolarHBondContact OG1-N 3.43Å; T484-T487 PolarHBondContact OG1-OG1 2.98Å; T484-W488 WeakPolarHBondContact O-CB 3.33Å; T484-W488 PolarHBondContact O-N 3.16Å
485	R	70.5	Confident	72.5	Confident	169 Å²	169	60 Å²	60	64%	0.638	31%	0.312	S	S	*	.	H	α-helix	trans	-60.3	-38.2	178.1	-171	174.6	177.1	154.8	-0.1	112.9	F444 L489	F444-R485 HydrophobicContact CD2-CB 3.99Å; F444-R485 HydrophobicContact CD2-CG 4.47Å; F444-R485 HydrophobicContact CE2-CB 3.53Å; F444-R485 HydrophobicContact CE2-CG 3.8Å; F444-R485 HydrophobicContact CZ-CB 4.16Å; F444-R485 HydrophobicContact CZ-CG 3.88Å; R485-L489 HydrophobicContact CG-CD1 4.27Å; R485-L489 VanDerWaalsContact O-CG 3.31Å; R485-L489 WeakPolarHBondContact O-CG 3.44Å; R485-L489 PolarHBondContact O-N 3.18Å
486	S	69.7	Low	72.2	Confident	70 Å²	70	66 Å²	66	49%	0.49	33%	0.333	S	S	.	.	H	α-helix	trans	-67.6	-48.6	179.9	46.5	0	0	0	0	111.2	T484 W488 L489 N490	T484-S486 VanDerWaalsContact C-N 3.31Å; T484-S486 PolarHBondContact O-N 2.93Å; T484-S486 PolarHBondContact OG1-OG 3.39Å; T484-S486 VanDerWaalsContact OG1-OG 3.07Å; S486-W488 VanDerWaalsContact C-N 3.29Å; S486-W488 PolarHBondContact O-N 2.9Å; S486-L489 PolarHBondContact O-N 3.28Å; S486-L489 VanDerWaalsContact O-N 3.15Å; S486-N490 PolarHBondContact O-N 3.45Å
487	T	70.3	Confident	71.9	Confident	29 Å²	29	66.6 Å²	66.6	18%	0.178	33%	0.333	C	S	.	.	H	α-helix	trans	-59.2	-42.6	175.2	-49.2	0	0	0	0	110.9	V483 T484 L489 N490 V491 E815 L816	V483-T487 HydrophobicContact CB-CG2 4.22Å; V483-T487 HydrophobicContact CG1-CG2 4.36Å; T484-T487 PolarHBondContact O-N 3.37Å; T484-T487 PolarHBondContact OG1-N 3.43Å; T484-T487 PolarHBondContact OG1-OG1 2.98Å; T487-L489 PolarHBondContact O-N 3.35Å; T487-N490 PolarHBondContact O-N 3.25Å; T487-V491 HydrophobicContact CG2-CG2 4.45Å; T487-V491 WeakPolarHBondContact O-CB 3.49Å; T487-V491 VanDerWaalsContact O-CG2 3.31Å; T487-V491 WeakPolarHBondContact O-CG2 3.41Å; T487-V491 PolarHBondContact O-N 3.31Å; T487-E815 HydrophobicContact CG2-CG 4.28Å; T487-L816 HydrophobicContact CG2-CD2 3.94Å
488	W	71.9	Confident	71.5	Confident	50 Å²	50	65 Å²	65	19%	0.189	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-45	175.5	-174.8	89.5	0	0	0	112.2	F444 L446 V483 T484 S486 H492	F444-W488 HydrophobicContact CB-CB 4.02Å; F444-W488 HydrophobicContact CB-CG 3.81Å; F444-W488 HydrophobicContact CD1-CD2 4.27Å; F444-W488 HydrophobicContact CD1-CG 4.33Å; F444-W488 HydrophobicContact CG-CB 4.39Å; F444-W488 HydrophobicContact CG-CG 4.22Å; L446-W488 VanDerWaalsContact CD2-CD1 3.5Å; L446-W488 HydrophobicContact CD2-CG 4.35Å; V483-W488 HydrophobicContact CG2-CB 3.97Å; T484-W488 WeakPolarHBondContact O-CB 3.33Å; T484-W488 PolarHBondContact O-N 3.16Å; S486-W488 VanDerWaalsContact C-N 3.29Å; S486-W488 PolarHBondContact O-N 2.9Å; W488-H492 AromaticContact CD2-CD2 3.56Å; W488-H492 AromaticContact CE2-CD2 3.23Å; W488-H492 AromaticContact CE2-NE2 3.26Å; W488-H492 VanDerWaalsContact CE2-NE2 3.26Å; W488-H492 AromaticContact CE3-CD2 3.97Å; W488-H492 AromaticContact CH2-CD2 3.81Å; W488-H492 AromaticContact CH2-NE2 3.82Å; W488-H492 AromaticContact CZ2-CD2 3.38Å; W488-H492 WeakPolarHBondContact CZ2-CD2 3.5Å; W488-H492 AromaticContact CZ2-CE1 3.95Å; W488-H492 AromaticContact CZ2-NE2 3.11Å; W488-H492 WeakPolarHBondContact CZ2-NE2 3.32Å; W488-H492 AromaticContact NE1-CD2 3.61Å; W488-H492 AromaticContact NE1-NE2 3.51Å; W488-H492 WeakPolarHBondContact O-CB 3.48Å; W488-H492 PolarHBondContact O-CD2 3.13Å; W488-H492 PolarHBondContact O-N 3.2Å
489	L	73.1	Confident	71.3	Confident	86 Å²	86	65.8 Å²	65.8	45%	0.45	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-43.8	177.8	-74.7	170.5	0	0	0	112.4	R485 S486 T487 H492 Q493	R485-L489 HydrophobicContact CG-CD1 4.27Å; R485-L489 VanDerWaalsContact O-CG 3.31Å; R485-L489 WeakPolarHBondContact O-CG 3.44Å; R485-L489 PolarHBondContact O-N 3.18Å; S486-L489 PolarHBondContact O-N 3.28Å; S486-L489 VanDerWaalsContact O-N 3.15Å; T487-L489 PolarHBondContact O-N 3.35Å; L489-H492 PolarHBondContact O-N 3.08Å; L489-Q493 WeakPolarHBondContact O-CB 3.4Å; L489-Q493 PolarHBondContact O-N 2.81Å
490	N	70.5	Confident	71.2	Confident	78 Å²	78	69.6 Å²	69.6	42%	0.417	34%	0.339	S	S	.	.	H	α-helix	trans	-59.7	-50.3	178.2	-75.9	-3.5	0	0	0	111.2	S486 T487 H492 Q493 Q494 E815	S486-N490 PolarHBondContact O-N 3.45Å; T487-N490 PolarHBondContact O-N 3.25Å; N490-H492 VanDerWaalsContact C-N 3.34Å; N490-H492 PolarHBondContact O-N 3.15Å; N490-Q493 PolarHBondContact O-N 3.04Å; N490-Q494 WeakPolarHBondContact O-CG 3.43Å; N490-Q494 PolarHBondContact O-N 3.39Å; N490-E815 PolarHBondContact ND2-OE1 3.25Å
491	V	70.9	Confident	70.9	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-41.7	178.9	173.9	0	0	0	0	111	L449 T487 Q493 Q494 L495 I812 E815 L816	L449-V491 HydrophobicContact CD1-CB 4.45Å; L449-V491 HydrophobicContact CD1-CG1 3.59Å; T487-V491 HydrophobicContact CG2-CG2 4.45Å; T487-V491 WeakPolarHBondContact O-CB 3.49Å; T487-V491 VanDerWaalsContact O-CG2 3.31Å; T487-V491 WeakPolarHBondContact O-CG2 3.41Å; T487-V491 PolarHBondContact O-N 3.31Å; V491-Q493 VanDerWaalsContact C-N 3.34Å; V491-Q493 PolarHBondContact O-N 3.33Å; V491-Q494 PolarHBondContact O-N 2.88Å; V491-L495 HydrophobicContact CG1-CD1 4.12Å; V491-L495 WeakPolarHBondContact O-CB 3.48Å; V491-L495 WeakPolarHBondContact O-CG 3.19Å; V491-L495 PolarHBondContact O-N 2.98Å; V491-I812 HydrophobicContact CG1-CG1 4.25Å; V491-I812 HydrophobicContact CG1-CG2 3.92Å; V491-E815 HydrophobicContact CG2-CB 4.39Å; V491-E815 HydrophobicContact CG2-CG 3.94Å; V491-L816 HydrophobicContact CG2-CD2 3.99Å; V491-L816 HydrophobicContact CG2-CG 4.15Å
492	H	72.9	Confident	70.6	Confident	45 Å²	45	62.2 Å²	62.2	21%	0.208	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-41.2	175	-101.1	-80.5	0	0	0	112.6	L449 W488 L489 N490 R496	L449-H492 WeakPolarHBondContact CD2-CE1 3.44Å; L449-H492 VanDerWaalsContact CD2-NE2 3.26Å; L449-H492 WeakPolarHBondContact CD2-NE2 3.39Å; W488-H492 AromaticContact CD2-CD2 3.56Å; W488-H492 AromaticContact CE2-CD2 3.23Å; W488-H492 AromaticContact CE2-NE2 3.26Å; W488-H492 VanDerWaalsContact CE2-NE2 3.26Å; W488-H492 AromaticContact CE3-CD2 3.97Å; W488-H492 AromaticContact CH2-CD2 3.81Å; W488-H492 AromaticContact CH2-NE2 3.82Å; W488-H492 AromaticContact CZ2-CD2 3.38Å; W488-H492 WeakPolarHBondContact CZ2-CD2 3.5Å; W488-H492 AromaticContact CZ2-CE1 3.95Å; W488-H492 AromaticContact CZ2-NE2 3.11Å; W488-H492 WeakPolarHBondContact CZ2-NE2 3.32Å; W488-H492 AromaticContact NE1-CD2 3.61Å; W488-H492 AromaticContact NE1-NE2 3.51Å; W488-H492 WeakPolarHBondContact O-CB 3.48Å; W488-H492 PolarHBondContact O-CD2 3.13Å; W488-H492 PolarHBondContact O-N 3.2Å; L489-H492 PolarHBondContact O-N 3.08Å; N490-H492 VanDerWaalsContact C-N 3.34Å; N490-H492 PolarHBondContact O-N 3.15Å; H492-R496 WeakPolarHBondContact O-CB 3.41Å; H492-R496 PolarHBondContact O-N 3.12Å
493	Q	72.8	Confident	70.4	Confident	87 Å²	87	62.3 Å²	62.3	41%	0.407	30%	0.299	S	S	.	.	H	α-helix	trans	-68	-46.7	178.8	-176.3	60.1	28.8	0	0	111.3	L489 N490 V491 L495 R496 E497	L489-Q493 WeakPolarHBondContact O-CB 3.4Å; L489-Q493 PolarHBondContact O-N 2.81Å; N490-Q493 PolarHBondContact O-N 3.04Å; V491-Q493 VanDerWaalsContact C-N 3.34Å; V491-Q493 PolarHBondContact O-N 3.33Å; Q493-L495 VanDerWaalsContact C-N 3.33Å; Q493-L495 PolarHBondContact O-N 3.42Å; Q493-R496 WeakPolarHBondContact O-CB 3.44Å; Q493-R496 PolarHBondContact O-N 3.37Å; Q493-R496 VanDerWaalsContact O-N 3.15Å; Q493-E497 PolarHBondContact NE2-OE1 3.18Å; Q493-E497 WeakPolarHBondContact O-CG 3.39Å; Q493-E497 PolarHBondContact O-N 2.88Å
494	Q	68.8	Low	69.9	Low	56 Å²	56	64.6 Å²	64.6	26%	0.262	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-43.8	175.6	-73.2	176.1	-0.8	0	0	111.9	N490 V491 E497 T498	N490-Q494 WeakPolarHBondContact O-CG 3.43Å; N490-Q494 PolarHBondContact O-N 3.39Å; V491-Q494 PolarHBondContact O-N 2.88Å; Q494-E497 PolarHBondContact O-N 2.95Å; Q494-T498 WeakPolarHBondContact O-CB 3.03Å; Q494-T498 PolarHBondContact O-N 2.95Å; Q494-T498 PolarHBondContact O-OG1 2.97Å
495	L	71.6	Confident	69.2	Low	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-40.2	176.1	-82.3	171.6	0	0	0	112.4	L449 L453 V491 Q493 T499 I812	L449-L495 HydrophobicContact CB-CD1 4.3Å; L449-L495 HydrophobicContact CD1-CD1 4.15Å; L449-L495 HydrophobicContact CD2-CD1 3.57Å; L449-L495 HydrophobicContact CG-CD1 4.25Å; L453-L495 HydrophobicContact CD2-CD1 4.31Å; L453-L495 HydrophobicContact CD2-CD2 3.79Å; L453-L495 HydrophobicContact CG-CD1 4.34Å; L453-L495 HydrophobicContact CG-CD2 4.47Å; V491-L495 HydrophobicContact CG1-CD1 4.12Å; V491-L495 WeakPolarHBondContact O-CB 3.48Å; V491-L495 WeakPolarHBondContact O-CG 3.19Å; V491-L495 PolarHBondContact O-N 2.98Å; Q493-L495 VanDerWaalsContact C-N 3.33Å; Q493-L495 PolarHBondContact O-N 3.42Å; L495-T499 WeakPolarHBondContact O-CB 3.3Å; L495-T499 PolarHBondContact O-N 3Å; L495-T499 PolarHBondContact O-OG1 2.96Å; L495-I812 HydrophobicContact CD1-CD1 4.16Å; L495-I812 HydrophobicContact CD2-CD1 3.43Å; L495-I812 VanDerWaalsContact CD2-CD1 3.43Å; L495-I812 HydrophobicContact CG-CD1 3.54Å
496	R	70.5	Confident	68.7	Low	146 Å²	146	58.3 Å²	58.3	55%	0.551	28%	0.284	S	S	*	.	H	α-helix	trans	-63.1	-50.8	176	-179	-179.7	176	-178.7	-2.9	111.4	H492 Q493 T498 T499 E500	H492-R496 WeakPolarHBondContact O-CB 3.41Å; H492-R496 PolarHBondContact O-N 3.12Å; Q493-R496 WeakPolarHBondContact O-CB 3.44Å; Q493-R496 PolarHBondContact O-N 3.37Å; Q493-R496 VanDerWaalsContact O-N 3.15Å; R496-T498 VanDerWaalsContact C-N 3.34Å; R496-T498 PolarHBondContact O-N 3.09Å; R496-T499 PolarHBondContact O-N 2.86Å; R496-E500 HydrophobicContact CG-CG 4.36Å; R496-E500 IonicContact CZ-OE1 3.17Å; R496-E500 IonicContact NE-OE1 2.71Å; R496-E500 PolarHBondContact NE-OE1 3.07Å; R496-E500 IonicContact NH2-OE1 3Å; R496-E500 PolarHBondContact NH2-OE1 3.35Å; R496-E500 WeakPolarHBondContact O-CB 3.37Å; R496-E500 WeakPolarHBondContact O-CG 3.39Å; R496-E500 PolarHBondContact O-N 3.45Å
497	E	68.2	Low	68.1	Low	107 Å²	107	59 Å²	59	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-60	-44.5	179.4	-73.1	174.9	-172.6	0	0	111.5	Q493 Q494 T499 E500 L501	Q493-E497 PolarHBondContact NE2-OE1 3.18Å; Q493-E497 WeakPolarHBondContact O-CG 3.39Å; Q493-E497 PolarHBondContact O-N 2.88Å; Q494-E497 PolarHBondContact O-N 2.95Å; E497-T499 PolarHBondContact O-N 3.03Å; E497-E500 PolarHBondContact O-N 3.05Å; E497-L501 VanDerWaalsContact O-CB 3.27Å; E497-L501 WeakPolarHBondContact O-CB 3.48Å; E497-L501 PolarHBondContact O-N 2.97Å
498	T	67.8	Low	67.4	Low	23 Å²	23	61.9 Å²	61.9	14%	0.141	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-44.9	175.8	-55.3	0	0	0	0	110.9	L456 Q494 R496 L501 L502 A808	L456-T498 HydrophobicContact CD1-CG2 4.12Å; Q494-T498 WeakPolarHBondContact O-CB 3.03Å; Q494-T498 PolarHBondContact O-N 2.95Å; Q494-T498 PolarHBondContact O-OG1 2.97Å; R496-T498 VanDerWaalsContact C-N 3.34Å; R496-T498 PolarHBondContact O-N 3.09Å; T498-L501 PolarHBondContact O-N 3.11Å; T498-L502 HydrophobicContact CG2-CD1 3.95Å; T498-L502 HydrophobicContact CG2-CG 4.33Å; T498-L502 WeakPolarHBondContact O-CB 3.47Å; T498-L502 WeakPolarHBondContact O-CG 3.28Å; T498-L502 PolarHBondContact O-N 2.96Å; T498-A808 HydrophobicContact CG2-CB 3.55Å; T498-A808 WeakPolarHBondContact OG1-CB 3.39Å
499	T	70.5	Confident	66.3	Low	19 Å²	19	63.3 Å²	63.3	12%	0.117	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-44.9	179.7	-60.6	0	0	0	0	111.4	W455 L495 R496 E497 L501 L502 Y503	W455-T499 HydrophobicContact CH2-CG2 4.37Å; W455-T499 HydrophobicContact CZ3-CG2 4.08Å; L495-T499 WeakPolarHBondContact O-CB 3.3Å; L495-T499 PolarHBondContact O-N 3Å; L495-T499 PolarHBondContact O-OG1 2.96Å; R496-T499 PolarHBondContact O-N 2.86Å; E497-T499 PolarHBondContact O-N 3.03Å; T499-L501 VanDerWaalsContact C-N 3.32Å; T499-L501 PolarHBondContact O-N 3.35Å; T499-L502 PolarHBondContact O-N 3.25Å; T499-Y503 HydrophobicContact CG2-CD2 3.59Å; T499-Y503 HydrophobicContact CG2-CE2 3.45Å; T499-Y503 VanDerWaalsContact CG2-CE2 3.45Å; T499-Y503 WeakPolarHBondContact O-CD2 3.44Å; T499-Y503 PolarHBondContact O-N 3.48Å
500	E	68.8	Low	65.1	Low	96 Å²	96	63.2 Å²	63.2	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-39.1	175.7	-74	179.9	-175.8	0	0	111.5	R496 E497 S504	R496-E500 HydrophobicContact CG-CG 4.36Å; R496-E500 IonicContact CZ-OE1 3.17Å; R496-E500 IonicContact NE-OE1 2.71Å; R496-E500 PolarHBondContact NE-OE1 3.07Å; R496-E500 IonicContact NH2-OE1 3Å; R496-E500 PolarHBondContact NH2-OE1 3.35Å; R496-E500 WeakPolarHBondContact O-CB 3.37Å; R496-E500 WeakPolarHBondContact O-CG 3.39Å; R496-E500 PolarHBondContact O-N 3.45Å; E497-E500 PolarHBondContact O-N 3.05Å; E500-S504 VanDerWaalsContact O-CB 3.25Å; E500-S504 WeakPolarHBondContact O-CB 3.43Å; E500-S504 PolarHBondContact O-N 3.06Å; E500-S504 PolarHBondContact O-OG 3.01Å
501	L	66.2	Low	64	Low	79 Å²	79	66.6 Å²	66.6	41%	0.414	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-45	174.6	-175.5	134.6	0	0	0	111.8	E497 T498 T499 S504 H505 F804	E497-L501 VanDerWaalsContact O-CB 3.27Å; E497-L501 WeakPolarHBondContact O-CB 3.48Å; E497-L501 PolarHBondContact O-N 2.97Å; T498-L501 PolarHBondContact O-N 3.11Å; T499-L501 VanDerWaalsContact C-N 3.32Å; T499-L501 PolarHBondContact O-N 3.35Å; L501-S504 PolarHBondContact O-N 3.16Å; L501-H505 WeakPolarHBondContact O-CB 3.49Å; L501-H505 PolarHBondContact O-N 3.42Å; L501-F804 HydrophobicContact CD2-CB 4.19Å; L501-F804 HydrophobicContact CD2-CD1 3.82Å; L501-F804 HydrophobicContact CD2-CD2 4.19Å; L501-F804 HydrophobicContact CD2-CE1 4.21Å; L501-F804 HydrophobicContact CD2-CG 3.81Å
502	L	67.5	Low	62.8	Low	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-42.4	177.5	-70.7	171.9	0	0	0	112.2	L456 Y460 T498 T499 H505 R506 L801 F804	L456-L502 HydrophobicContact CD1-CD1 3.97Å; Y460-L502 HydrophobicContact CD1-CD2 4.39Å; Y460-L502 HydrophobicContact CD2-CD1 3.96Å; Y460-L502 HydrophobicContact CE1-CD2 4.15Å; Y460-L502 HydrophobicContact CE2-CB 4.33Å; Y460-L502 HydrophobicContact CE2-CD1 3.7Å; Y460-L502 HydrophobicContact CE2-CD2 4.44Å; Y460-L502 HydrophobicContact CE2-CG 4.38Å; T498-L502 HydrophobicContact CG2-CD1 3.95Å; T498-L502 HydrophobicContact CG2-CG 4.33Å; T498-L502 WeakPolarHBondContact O-CB 3.47Å; T498-L502 WeakPolarHBondContact O-CG 3.28Å; T498-L502 PolarHBondContact O-N 2.96Å; T499-L502 PolarHBondContact O-N 3.25Å; L502-H505 PolarHBondContact O-N 2.89Å; L502-R506 WeakPolarHBondContact O-CB 3.42Å; L502-R506 PolarHBondContact O-N 3.29Å; L502-L801 HydrophobicContact CD2-CB 4.32Å; L502-L801 HydrophobicContact CD2-CD2 3.82Å; L502-F804 HydrophobicContact CD2-CB 4.22Å
503	Y	69.1	Low	60.8	Low	72 Å²	72	79 Å²	79	28%	0.282	37%	0.368	S	S	.	.	H	α-helix	trans	-65.8	-45	174.2	-84.4	-67.7	0	0	0	112	W455 T499 H505 R506 D507	W455-Y503 AromaticContact CH2-CE2 3.89Å; W455-Y503 HydrophobicContact CH2-CE2 3.89Å; W455-Y503 AromaticContact CH2-CZ 3.99Å; W455-Y503 HydrophobicContact CZ2-CE2 4.28Å; W455-Y503 AromaticContact CZ2-CZ 3.9Å; T499-Y503 HydrophobicContact CG2-CD2 3.59Å; T499-Y503 HydrophobicContact CG2-CE2 3.45Å; T499-Y503 VanDerWaalsContact CG2-CE2 3.45Å; T499-Y503 WeakPolarHBondContact O-CD2 3.44Å; T499-Y503 PolarHBondContact O-N 3.48Å; Y503-H505 PolarHBondContact O-N 3.24Å; Y503-R506 PolarHBondContact O-N 3.25Å; Y503-D507 WeakPolarHBondContact O-CB 3.28Å; Y503-D507 PolarHBondContact O-N 3.19Å
504	S	62.7	Low	58.8	Low	65 Å²	65	82.3 Å²	82.3	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-58.4	-40.3	177.7	-63.8	0	0	0	0	111.4	E500 L501 Q508	E500-S504 VanDerWaalsContact O-CB 3.25Å; E500-S504 WeakPolarHBondContact O-CB 3.43Å; E500-S504 PolarHBondContact O-N 3.06Å; E500-S504 PolarHBondContact O-OG 3.01Å; L501-S504 PolarHBondContact O-N 3.16Å; S504-Q508 VanDerWaalsContact O-CG 3.23Å; S504-Q508 WeakPolarHBondContact O-CG 3.47Å; S504-Q508 PolarHBondContact O-N 2.96Å
505	H	59.4	Low	56.9	Low	13 Å²	13	83.4 Å²	83.4	6%	0.06	40%	0.397	C	S	.	.	H	α-helix	trans	-70.1	-42.5	177.7	-166.8	-73.4	0	0	0	112.4	L501 L502 Y503 D507 Q508 Q509 N797 L801	L501-H505 WeakPolarHBondContact O-CB 3.49Å; L501-H505 PolarHBondContact O-N 3.42Å; L502-H505 PolarHBondContact O-N 2.89Å; Y503-H505 PolarHBondContact O-N 3.24Å; H505-D507 VanDerWaalsContact C-N 3.34Å; H505-D507 PolarHBondContact O-N 3.49Å; H505-Q508 PolarHBondContact O-N 3.25Å; H505-Q509 WeakPolarHBondContact O-CG 3.04Å; H505-Q509 PolarHBondContact O-N 2.78Å; H505-N797 PolarHBondContact CE1-O 2.96Å; H505-N797 VanDerWaalsContact CE1-O 3.22Å; H505-N797 WeakPolarHBondContact NE2-CA 3.35Å; H505-N797 PolarHBondContact NE2-O 3.37Å; H505-L801 HydrophobicContact CB-CD2 3.82Å; H505-L801 VanDerWaalsContact CG-CD2 3.49Å; H505-L801 VanDerWaalsContact ND1-CD2 3.31Å; H505-L801 WeakPolarHBondContact ND1-CD2 3.5Å
506	R	59.1	Low	54.8	Low	102 Å²	102	89.1 Å²	89.1	39%	0.385	43%	0.432	S	S	.	.	H	α-helix	trans	-61	-41.7	173.9	-172.1	177.6	-178.8	140.6	-0.7	112.1	E459 L502 Y503 Q509 L510	E459-R506 IonicContact OE1-CZ 3.77Å; E459-R506 IonicContact OE1-NH1 3.95Å; E459-R506 PolarHBondContact OE1-NH1 3.27Å; E459-R506 IonicContact OE1-NH2 3.77Å; L502-R506 WeakPolarHBondContact O-CB 3.42Å; L502-R506 PolarHBondContact O-N 3.29Å; Y503-R506 PolarHBondContact O-N 3.25Å; R506-Q509 PolarHBondContact O-N 3.28Å; R506-L510 HydrophobicContact CG-CD1 4.39Å; R506-L510 WeakPolarHBondContact O-CG 3.04Å; R506-L510 PolarHBondContact O-N 2.82Å
507	D	56.7	Low	52.6	Low	86 Å²	86	87 Å²	87	46%	0.46	44%	0.44	S	S	.	.	H	α-helix	trans	-67.3	-35.9	176.8	-78.1	-10	0	0	0	112.2	Y503 H505 L510 K511	Y503-D507 WeakPolarHBondContact O-CB 3.28Å; Y503-D507 PolarHBondContact O-N 3.19Å; H505-D507 VanDerWaalsContact C-N 3.34Å; H505-D507 PolarHBondContact O-N 3.49Å; D507-L510 PolarHBondContact O-N 3.46Å; D507-K511 WeakPolarHBondContact O-CB 3.39Å; D507-K511 WeakPolarHBondContact O-CG 3.47Å; D507-K511 PolarHBondContact O-N 3.26Å
508	Q	55.7	Low	50.5	Low	89 Å²	89	90.9 Å²	90.9	42%	0.416	46%	0.458	S	S	.	.	H	α-helix	trans	-65.9	-42.6	172.6	-74.6	174.2	21.9	0	0	111.8	S504 H505 K511 L512	S504-Q508 VanDerWaalsContact O-CG 3.23Å; S504-Q508 WeakPolarHBondContact O-CG 3.47Å; S504-Q508 PolarHBondContact O-N 2.96Å; H505-Q508 PolarHBondContact O-N 3.25Å; Q508-K511 PolarHBondContact O-N 2.83Å; Q508-L512 PolarHBondContact O-N 2.86Å
509	Q	49.6	Very low	48.7	Very low	80 Å²	80	94.5 Å²	94.5	37%	0.374	48%	0.48	S	S	.	.	H	α-helix	trans	-61.6	-44.2	173.7	-71.7	-121.7	-13.5	0	0	111.7	H505 R506 K511 L512 Y513	H505-Q509 WeakPolarHBondContact O-CG 3.04Å; H505-Q509 PolarHBondContact O-N 2.78Å; R506-Q509 PolarHBondContact O-N 3.28Å; Q509-K511 VanDerWaalsContact C-N 3.33Å; Q509-K511 PolarHBondContact O-N 3.44Å; Q509-L512 WeakPolarHBondContact O-CB 3.25Å; Q509-L512 PolarHBondContact O-N 3.4Å; Q509-L512 VanDerWaalsContact O-N 3.15Å; Q509-Y513 WeakPolarHBondContact O-CD2 3.4Å; Q509-Y513 PolarHBondContact O-N 2.75Å
510	L	48.2	Very low	46.7	Very low	84 Å²	84	98.2 Å²	98.2	44%	0.44	50%	0.504	S	S	.	.	H	α-helix	trans	-61.5	-39.3	175.4	-74.6	167.2	0	0	0	112.2	R506 D507 Y513 H514	R506-L510 HydrophobicContact CG-CD1 4.39Å; R506-L510 WeakPolarHBondContact O-CG 3.04Å; R506-L510 PolarHBondContact O-N 2.82Å; D507-L510 PolarHBondContact O-N 3.46Å; L510-Y513 PolarHBondContact O-N 3.32Å; L510-H514 PolarHBondContact O-CD2 2.81Å; L510-H514 PolarHBondContact O-N 2.88Å; L510-H514 VanDerWaalsContact O-N 3.12Å
511	K	46.8	Very low	44.7	Very low	149 Å²	149	103.6 Å²	103.6	65%	0.648	53%	0.529	S	S	*	.	H	α-helix	trans	-63.8	-38.6	173.3	-77.3	173.1	-178.5	173.2	0	112.4	D507 Q508 Q509 H514 S515	D507-K511 WeakPolarHBondContact O-CB 3.39Å; D507-K511 WeakPolarHBondContact O-CG 3.47Å; D507-K511 PolarHBondContact O-N 3.26Å; Q508-K511 PolarHBondContact O-N 2.83Å; Q509-K511 VanDerWaalsContact C-N 3.33Å; Q509-K511 PolarHBondContact O-N 3.44Å; K511-H514 PolarHBondContact O-N 3.37Å; K511-S515 WeakPolarHBondContact O-CB 3.42Å; K511-S515 PolarHBondContact O-N 3.16Å; K511-S515 PolarHBondContact O-OG 2.94Å
512	L	45.1	Very low	42.9	Very low	128 Å²	128	103.3 Å²	103.3	67%	0.67	55%	0.546	S	S	*	.	H	α-helix	trans	-64.1	-37.9	173.7	-87.7	152.4	0	0	0	112.2	Q508 Q509 H514	Q508-L512 PolarHBondContact O-N 2.86Å; Q509-L512 WeakPolarHBondContact O-CB 3.25Å; Q509-L512 PolarHBondContact O-N 3.4Å; Q509-L512 VanDerWaalsContact O-N 3.15Å; L512-H514 VanDerWaalsContact C-N 3.34Å; L512-H514 PolarHBondContact O-N 3.23Å
513	Y	32.3	Very low	41.1	Very low	179 Å²	179	108.9 Å²	108.9	70%	0.702	57%	0.572	S	S	*	*	H	α-helix	trans	-70.3	-27.3	175.2	-80.5	-73.4	0	0	0	113.7	Q509 L510	Q509-Y513 WeakPolarHBondContact O-CD2 3.4Å; Q509-Y513 PolarHBondContact O-N 2.75Å; L510-Y513 PolarHBondContact O-N 3.32Å
514	H	29.5	Very low	39.3	Very low	156 Å²	156	112.2 Å²	112.2	72%	0.722	59%	0.593	S	S	*	*	H	α-helix	trans	-91.1	-12.8	178.2	-72.9	-54.7	0	0	0	114.8	L510 K511 L512 T516	L510-H514 PolarHBondContact O-CD2 2.81Å; L510-H514 PolarHBondContact O-N 2.88Å; L510-H514 VanDerWaalsContact O-N 3.12Å; K511-H514 PolarHBondContact O-N 3.37Å; L512-H514 VanDerWaalsContact C-N 3.34Å; L512-H514 PolarHBondContact O-N 3.23Å; H514-T516 PolarHBondContact O-N 2.88Å
515	S	29.2	Very low	38	Very low	78 Å²	78	110.4 Å²	110.4	55%	0.545	58%	0.582	S	S	.	*			trans	-98.9	56.1	178.6	48	0	0	0	0	112.1	K511 S517	K511-S515 WeakPolarHBondContact O-CB 3.42Å; K511-S515 PolarHBondContact O-N 3.16Å; K511-S515 PolarHBondContact O-OG 2.94Å; S515-S517 VanDerWaalsContact C-N 3.3Å; S515-S517 PolarHBondContact O-N 3.42Å; S515-S517 VanDerWaalsContact O-N 3.09Å
516	T	27	Very low	36.7	Very low	121 Å²	121	116.3 Å²	116.3	74%	0.742	60%	0.604	S	S	*	*			trans	-75.8	85.5	157.9	46.4	0	0	0	0	109	H514	H514-T516 PolarHBondContact O-N 2.88Å
517	S	25.2	Very low	35.5	Very low	102 Å²	102	116 Å²	116	71%	0.713	61%	0.613	S	S	*	*	S	Bend	trans	156.1	138	146	51.5	0	0	0	0	112	S515	S515-S517 VanDerWaalsContact C-N 3.3Å; S515-S517 PolarHBondContact O-N 3.42Å; S515-S517 VanDerWaalsContact O-N 3.09Å
518	E	24.7	Very low	34.5	Very low	188 Å²	188	118.8 Å²	118.8	88%	0.879	62%	0.621	S	S	*	*			trans	72.1	71.7	165.5	-60.3	-177.9	179.7	0	0	117.1
519	T	30.1	Very low	33.6	Very low	99 Å²	99	118.8 Å²	118.8	61%	0.607	62%	0.624	S	S	*	*			trans	-81.6	135.4	150.3	49.7	0	0	0	0	110
520	P	28.2	Very low	32.9	Very low	96 Å²	96	120 Å²	120	62%	0.623	63%	0.63	S	S	*	*			trans	-64.9	139.3	-168.5	25	-33.1	0	0	0	112.2	G522 E523	P520-G522 PolarHBondContact O-N 3.38Å; P520-E523 PolarHBondContact O-N 3.04Å
521	Q	27.1	Very low	32.5	Very low	209 Å²	209	118.4 Å²	118.4	98%	0.977	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.3	102.7	175.8	-96.3	118.5	-25.5	0	0	111.6
522	G	27.3	Very low	32.1	Very low	74 Å²	74	115.8 Å²	115.8	76%	0.763	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.8	-28.5	178.5	0	0	0	0	0	112	P520	P520-G522 PolarHBondContact O-N 3.38Å
523	E	30	Very low	31.7	Very low	117 Å²	117	113.5 Å²	113.5	55%	0.547	61%	0.606	S	S	.	*			trans	-88.9	111	176	-68	176.5	163.8	0	0	109.9	P520 A525	P520-E523 PolarHBondContact O-N 3.04Å; E523-A525 PolarHBondContact O-N 3.08Å
524	I	32.4	Very low	32	Very low	142 Å²	142	109.7 Å²	109.7	73%	0.728	60%	0.595	S	S	*	*			trans	-67.7	88.1	164	-61.1	171.4	0	0	0	105.6	W526 L529	I524-W526 PolarHBondContact O-N 3.11Å; I524-W526 VanDerWaalsContact O-N 3.12Å; I524-L529 HydrophobicContact CG2-CD1 4.43Å
525	A	33.9	Very low	32.3	Very low	27 Å²	27	107.4 Å²	107.4	22%	0.223	59%	0.588	C	S	.	*			trans	-53.5	122.1	-178.4	0	0	0	0	0	109	E523 T527 K528	E523-A525 PolarHBondContact O-N 3.08Å; A525-T527 WeakPolarHBondContact CB-OG1 3.42Å; A525-T527 PolarHBondContact O-N 3.11Å; A525-K528 WeakPolarHBondContact O-CB 3.48Å; A525-K528 PolarHBondContact O-N 3.46Å
526	W	32.4	Very low	32.5	Very low	137 Å²	137	107.3 Å²	107.3	52%	0.519	58%	0.58	S	S	.	*	H	α-helix	trans	-48.3	-27.7	177.1	178.9	-108.7	0	0	0	112.9	I524 K528 L529 Q530	I524-W526 PolarHBondContact O-N 3.11Å; I524-W526 VanDerWaalsContact O-N 3.12Å; W526-K528 VanDerWaalsContact C-N 3.32Å; W526-K528 PolarHBondContact O-N 3.27Å; W526-L529 HydrophobicContact CE3-CB 4.47Å; W526-L529 HydrophobicContact CE3-CD1 4.12Å; W526-L529 HydrophobicContact CZ3-CD1 4.4Å; W526-L529 WeakPolarHBondContact O-CB 3.48Å; W526-L529 PolarHBondContact O-N 2.72Å; W526-L529 VanDerWaalsContact O-N 3.12Å; W526-Q530 PolarHBondContact O-N 2.99Å
527	T	33.7	Very low	32.9	Very low	95 Å²	95	106.4 Å²	106.4	58%	0.583	57%	0.571	S	S	*	*	H	α-helix	trans	-59.7	-33.6	170.8	42.9	0	0	0	0	114.1	A525 A531	A525-T527 WeakPolarHBondContact CB-OG1 3.42Å; A525-T527 PolarHBondContact O-N 3.11Å; T527-A531 WeakPolarHBondContact O-CB 3.3Å; T527-A531 PolarHBondContact O-N 3.29Å
528	K	35.2	Very low	33.5	Very low	144 Å²	144	107.4 Å²	107.4	63%	0.626	57%	0.568	S	S	*	*	H	α-helix	trans	-69.5	-38.2	172.1	-73.6	-176.2	177.6	177	0	111.6	A525 W526 A531 I532	A525-K528 WeakPolarHBondContact O-CB 3.48Å; A525-K528 PolarHBondContact O-N 3.46Å; W526-K528 VanDerWaalsContact C-N 3.32Å; W526-K528 PolarHBondContact O-N 3.27Å; K528-A531 PolarHBondContact O-N 3.46Å; K528-I532 WeakPolarHBondContact O-CB 3.45Å; K528-I532 WeakPolarHBondContact O-CD1 3.39Å; K528-I532 WeakPolarHBondContact O-CG1 3.43Å; K528-I532 PolarHBondContact O-N 3.22Å
529	L	37.4	Very low	33.7	Very low	90 Å²	90	101 Å²	101	47%	0.471	55%	0.552	S	S	.	*	H	α-helix	trans	-65.9	-42.5	174.5	-89.7	158.5	0	0	0	111.4	I524 W526 I532 H533	I524-L529 HydrophobicContact CG2-CD1 4.43Å; W526-L529 HydrophobicContact CE3-CB 4.47Å; W526-L529 HydrophobicContact CE3-CD1 4.12Å; W526-L529 HydrophobicContact CZ3-CD1 4.4Å; W526-L529 WeakPolarHBondContact O-CB 3.48Å; W526-L529 PolarHBondContact O-N 2.72Å; W526-L529 VanDerWaalsContact O-N 3.12Å; L529-I532 PolarHBondContact O-N 3.42Å; L529-H533 WeakPolarHBondContact O-CB 3.34Å; L529-H533 PolarHBondContact O-N 2.93Å
530	Q	36.1	Very low	33.9	Very low	106 Å²	106	101.5 Å²	101.5	50%	0.495	55%	0.551	S	S	.	*	H	α-helix	trans	-63.3	-40.8	172.1	-86.1	-176.1	-25.8	0	0	112.7	W526 I532 H533 Q534	W526-Q530 PolarHBondContact O-N 2.99Å; Q530-I532 VanDerWaalsContact C-N 3.33Å; Q530-I532 PolarHBondContact O-N 3.28Å; Q530-H533 PolarHBondContact O-N 3.47Å; Q530-Q534 WeakPolarHBondContact O-CB 3.4Å; Q530-Q534 PolarHBondContact O-N 3.2Å
531	A	38.1	Very low	34.1	Very low	49 Å²	49	102.7 Å²	102.7	41%	0.405	55%	0.551	S	S	.	*	H	α-helix	trans	-65	-38	176.8	0	0	0	0	0	112.1	T527 K528 Q534 N535	T527-A531 WeakPolarHBondContact O-CB 3.3Å; T527-A531 PolarHBondContact O-N 3.29Å; K528-A531 PolarHBondContact O-N 3.46Å; A531-Q534 PolarHBondContact O-N 3.25Å; A531-N535 WeakPolarHBondContact O-CB 3.12Å; A531-N535 PolarHBondContact O-N 3.47Å; A531-N535 PolarHBondContact O-ND2 3.07Å
532	I	39.7	Very low	34.4	Very low	95 Å²	95	99.7 Å²	99.7	49%	0.487	54%	0.542	S	S	.	.	H	α-helix	trans	-64.9	-46.7	173.8	-68.8	163.2	0	0	0	110.1	K528 L529 Q530 Q534 N535 I536	K528-I532 WeakPolarHBondContact O-CB 3.45Å; K528-I532 WeakPolarHBondContact O-CD1 3.39Å; K528-I532 WeakPolarHBondContact O-CG1 3.43Å; K528-I532 PolarHBondContact O-N 3.22Å; L529-I532 PolarHBondContact O-N 3.42Å; Q530-I532 VanDerWaalsContact C-N 3.33Å; Q530-I532 PolarHBondContact O-N 3.28Å; I532-Q534 VanDerWaalsContact C-N 3.33Å; I532-Q534 PolarHBondContact O-N 2.95Å; I532-N535 PolarHBondContact O-N 3.32Å; I532-I536 HydrophobicContact CG2-CD1 3.86Å; I532-I536 WeakPolarHBondContact O-CD1 3.4Å; I532-I536 VanDerWaalsContact O-CG1 3.23Å; I532-I536 WeakPolarHBondContact O-CG1 3.49Å; I532-I536 PolarHBondContact O-N 2.87Å
533	H	36.1	Very low	34.6	Very low	79 Å²	79	100.1 Å²	100.1	37%	0.366	54%	0.538	S	S	.	.	H	α-helix	trans	-57.1	-42.6	173.8	176.2	-94.2	0	0	0	112.4	L529 Q530 N535 I536 L537 E846	L529-H533 WeakPolarHBondContact O-CB 3.34Å; L529-H533 PolarHBondContact O-N 2.93Å; Q530-H533 PolarHBondContact O-N 3.47Å; H533-N535 PolarHBondContact O-N 3.13Å; H533-I536 WeakPolarHBondContact O-CB 3.26Å; H533-I536 PolarHBondContact O-N 2.83Å; H533-L537 VanDerWaalsContact CE1-CD1 3.47Å; H533-L537 WeakPolarHBondContact CE1-CD1 3.45Å; H533-L537 PolarHBondContact O-N 2.93Å; H533-E846 IonicContact CD2-OE2 3.22Å; H533-E846 IonicContact NE2-OE2 3.8Å
534	Q	38.7	Very low	34.8	Very low	100 Å²	100	97.6 Å²	97.6	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-72.2	-29.1	180	-140.1	60.5	8.1	0	0	113.7	Q530 A531 I532 N538	Q530-Q534 WeakPolarHBondContact O-CB 3.4Å; Q530-Q534 PolarHBondContact O-N 3.2Å; A531-Q534 PolarHBondContact O-N 3.25Å; I532-Q534 VanDerWaalsContact C-N 3.33Å; I532-Q534 PolarHBondContact O-N 2.95Å; Q534-N538 VanDerWaalsContact O-CG 3.28Å; Q534-N538 PolarHBondContact O-N 3.23Å; Q534-N538 PolarHBondContact O-ND2 3.48Å; Q534-N538 VanDerWaalsContact O-ND2 3.16Å
535	N	35.7	Very low	34.5	Very low	108 Å²	108	95.4 Å²	95.4	58%	0.578	53%	0.526	S	S	*	.	H	α-helix	trans	-73.3	-32.8	171.9	-70.7	-18.2	0	0	0	111.9	A531 I532 H533 N538	A531-N535 WeakPolarHBondContact O-CB 3.12Å; A531-N535 PolarHBondContact O-N 3.47Å; A531-N535 PolarHBondContact O-ND2 3.07Å; I532-N535 PolarHBondContact O-N 3.32Å; H533-N535 PolarHBondContact O-N 3.13Å; N535-N538 PolarHBondContact O-N 3.44Å
536	I	34.3	Very low	34.3	Very low	75 Å²	75	98.4 Å²	98.4	39%	0.385	54%	0.537	S	S	.	.	H	α-helix	trans	-64.3	-44.8	173.1	-69.1	163.3	0	0	0	110.4	I532 H533 N538 G539	I532-I536 HydrophobicContact CG2-CD1 3.86Å; I532-I536 WeakPolarHBondContact O-CD1 3.4Å; I532-I536 VanDerWaalsContact O-CG1 3.23Å; I532-I536 WeakPolarHBondContact O-CG1 3.49Å; I532-I536 PolarHBondContact O-N 2.87Å; H533-I536 WeakPolarHBondContact O-CB 3.26Å; H533-I536 PolarHBondContact O-N 2.83Å; I536-N538 PolarHBondContact O-N 3.32Å; I536-G539 PolarHBondContact O-N 3.09Å
537	L	35.2	Very low	34.2	Very low	103 Å²	103	95.1 Å²	95.1	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-60.5	-29.1	175.4	-80.1	165.8	0	0	0	113.7	H533 G539	H533-L537 VanDerWaalsContact CE1-CD1 3.47Å; H533-L537 WeakPolarHBondContact CE1-CD1 3.45Å; H533-L537 PolarHBondContact O-N 2.93Å; L537-G539 VanDerWaalsContact C-N 3.29Å; L537-G539 PolarHBondContact O-N 3.32Å
538	N	37.4	Very low	34.1	Very low	123 Å²	123	95.4 Å²	95.4	66%	0.658	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	8.4	-177.1	-69.5	-23.8	0	0	0	114.3	Q534 N535 I536 D540	Q534-N538 VanDerWaalsContact O-CG 3.28Å; Q534-N538 PolarHBondContact O-N 3.23Å; Q534-N538 PolarHBondContact O-ND2 3.48Å; Q534-N538 VanDerWaalsContact O-ND2 3.16Å; N535-N538 PolarHBondContact O-N 3.44Å; I536-N538 PolarHBondContact O-N 3.32Å; N538-D540 VanDerWaalsContact C-N 3.34Å; N538-D540 PolarHBondContact O-N 2.96Å
539	G	29.9	Very low	34	Very low	52 Å²	52	93.9 Å²	93.9	54%	0.536	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	12.6	163.6	0	0	0	0	0	116.5	I536 L537 L541	I536-G539 PolarHBondContact O-N 3.09Å; L537-G539 VanDerWaalsContact C-N 3.29Å; L537-G539 PolarHBondContact O-N 3.32Å; G539-L541 PolarHBondContact O-N 3.34Å
540	D	32.5	Very low	33.6	Very low	111 Å²	111	91.5 Å²	91.5	59%	0.594	53%	0.526	S	S	*	.			trans	-82.3	69.5	-179.6	-148.4	-8.5	0	0	0	111.4	N538 N542 A543 C544	N538-D540 VanDerWaalsContact C-N 3.34Å; N538-D540 PolarHBondContact O-N 2.96Å; D540-N542 PolarHBondContact O-N 2.87Å; D540-N542 VanDerWaalsContact O-N 3.14Å; D540-A543 PolarHBondContact O-N 3.15Å; D540-C544 PolarHBondContact O-SG 3.2Å
541	L	34	Very low	33.4	Very low	121 Å²	121	90.3 Å²	90.3	63%	0.634	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.8	-175.8	-77.6	156.5	0	0	0	114.2	G539 C544	G539-L541 PolarHBondContact O-N 3.34Å; L541-C544 WeakPolarHBondContact O-CB 3.36Å; L541-C544 PolarHBondContact O-N 3.03Å; L541-C544 VanDerWaalsContact O-N 3.13Å
542	N	32.6	Very low	33	Very low	145 Å²	145	93.1 Å²	93.1	78%	0.775	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-19	-179.6	-76	-20.6	0	0	0	113.3	D540 C544	D540-N542 PolarHBondContact O-N 2.87Å; D540-N542 VanDerWaalsContact O-N 3.14Å; N542-C544 PolarHBondContact O-N 3.3Å
543	A	30.9	Very low	32.6	Very low	83 Å²	83	94.2 Å²	94.2	69%	0.686	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.1	161.9	0	0	0	0	0	111.4	D540	D540-A543 PolarHBondContact O-N 3.15Å
544	C	34.5	Very low	32.3	Very low	64 Å²	64	96.4 Å²	96.4	43%	0.432	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	0.9	-172.6	-55.5	0	0	0	0	115.5	D540 L541 N542 I546	D540-C544 PolarHBondContact O-SG 3.2Å; L541-C544 WeakPolarHBondContact O-CB 3.36Å; L541-C544 PolarHBondContact O-N 3.03Å; L541-C544 VanDerWaalsContact O-N 3.13Å; N542-C544 PolarHBondContact O-N 3.3Å; C544-I546 VanDerWaalsContact C-N 3.25Å; C544-I546 PolarHBondContact O-N 3.49Å
545	T	27	Very low	31.9	Very low	97 Å²	97	96 Å²	96	60%	0.595	56%	0.557	S	S	*	*			trans	-83.1	81.7	173.9	-37.6	0	0	0	0	108.5	T547	T545-T547 HydrophobicContact CG2-CG2 4.12Å; T545-T547 PolarHBondContact O-N 3.08Å
546	I	30.1	Very low	31.5	Very low	89 Å²	89	94.6 Å²	94.6	46%	0.456	55%	0.547	S	S	.	.			trans	-71.4	76.5	169.4	-42.2	178.7	0	0	0	107.5	C544 S550 L551 L554	C544-I546 VanDerWaalsContact C-N 3.25Å; C544-I546 PolarHBondContact O-N 3.49Å; I546-S550 WeakPolarHBondContact CA-OG 3.39Å; I546-S550 WeakPolarHBondContact CG2-OG 3.4Å; I546-L551 HydrophobicContact CB-CD1 4.16Å; I546-L551 HydrophobicContact CD1-CD1 4.47Å; I546-L551 HydrophobicContact CG2-CB 3.54Å; I546-L551 HydrophobicContact CG2-CD1 3.67Å; I546-L551 HydrophobicContact CG2-CG 4.03Å; I546-L551 VanDerWaalsContact CG2-N 3.31Å; I546-L554 HydrophobicContact CG2-CD1 4.21Å
547	T	29.3	Very low	31.2	Very low	68 Å²	68	95.6 Å²	95.6	42%	0.417	56%	0.561	S	S	.	*			trans	-50.1	149.1	168.6	53.7	0	0	0	0	109.5	T545 D549 S550 L551	T545-T547 HydrophobicContact CG2-CG2 4.12Å; T545-T547 PolarHBondContact O-N 3.08Å; T547-D549 CarbonylContact O-C 3.57Å; T547-D549 PolarHBondContact O-N 3.31Å; T547-S550 PolarHBondContact N-OG 2.8Å; T547-S550 CarbonylContact O-C 3.58Å; T547-S550 WeakPolarHBondContact O-CA 3.44Å; T547-S550 PolarHBondContact O-N 3.43Å; T547-S550 PolarHBondContact O-OG 2.83Å; T547-S550 PolarHBondContact OG1-N 2.73Å; T547-S550 PolarHBondContact OG1-OG 2.86Å; T547-S550 VanDerWaalsContact OG1-OG 3.11Å; T547-L551 PolarHBondContact O-N 2.83Å
548	P	32	Very low	30.7	Very low	102 Å²	102	96 Å²	96	66%	0.662	57%	0.57	S	S	*	*	H	α-helix	trans	-52.5	-25.3	179.7	4.8	-14.4	0	0	0	113.5	K552	P548-K552 WeakPolarHBondContact O-CB 3.15Å; P548-K552 VanDerWaalsContact O-CG 3.25Å; P548-K552 WeakPolarHBondContact O-CG 3.5Å; P548-K552 PolarHBondContact O-N 2.87Å
549	D	31.8	Very low	30.1	Very low	112 Å²	112	99 Å²	99	60%	0.599	58%	0.577	S	S	*	*	H	α-helix	trans	-73.1	-42.9	171.5	-69.7	-29.4	0	0	0	113	T547 K552 V553	T547-D549 CarbonylContact O-C 3.57Å; T547-D549 PolarHBondContact O-N 3.31Å; D549-K552 CarbonylContact O-C 3.56Å; D549-K552 WeakPolarHBondContact O-CB 3.45Å; D549-K552 PolarHBondContact O-N 3Å; D549-V553 VanDerWaalsContact O-CG2 3.28Å; D549-V553 WeakPolarHBondContact O-CG2 3.49Å; D549-V553 PolarHBondContact O-N 3.4Å
550	S	30.7	Very low	30	Very low	39 Å²	39	105.4 Å²	105.4	27%	0.273	59%	0.593	S	S	.	*	H	α-helix	trans	-70.1	-31.3	173	62.2	0	0	0	0	113.6	I546 T547 V553 L554	I546-S550 WeakPolarHBondContact CA-OG 3.39Å; I546-S550 WeakPolarHBondContact CG2-OG 3.4Å; T547-S550 PolarHBondContact N-OG 2.8Å; T547-S550 CarbonylContact O-C 3.58Å; T547-S550 WeakPolarHBondContact O-CA 3.44Å; T547-S550 PolarHBondContact O-N 3.43Å; T547-S550 PolarHBondContact O-OG 2.83Å; T547-S550 PolarHBondContact OG1-N 2.73Å; T547-S550 PolarHBondContact OG1-OG 2.86Å; T547-S550 VanDerWaalsContact OG1-OG 3.11Å; S550-V553 PolarHBondContact O-N 3.04Å; S550-L554 WeakPolarHBondContact O-CB 3.49Å; S550-L554 PolarHBondContact O-N 3.15Å
551	L	32	Very low	29.8	Very low	81 Å²	81	104.3 Å²	104.3	42%	0.424	59%	0.594	S	S	.	*	H	α-helix	trans	-73.7	-35.3	172.5	-153.9	119.4	0	0	0	110.3	I546 T547 V553 L554 C555	I546-L551 HydrophobicContact CB-CD1 4.16Å; I546-L551 HydrophobicContact CD1-CD1 4.47Å; I546-L551 HydrophobicContact CG2-CB 3.54Å; I546-L551 HydrophobicContact CG2-CD1 3.67Å; I546-L551 HydrophobicContact CG2-CG 4.03Å; I546-L551 VanDerWaalsContact CG2-N 3.31Å; T547-L551 PolarHBondContact O-N 2.83Å; L551-V553 VanDerWaalsContact C-N 3.34Å; L551-L554 PolarHBondContact O-N 3.45Å; L551-C555 WeakPolarHBondContact O-CB 3.32Å; L551-C555 PolarHBondContact O-N 3.17Å; L551-C555 PolarHBondContact O-SG 3.47Å; L551-C555 VanDerWaalsContact O-SG 3.41Å
552	K	28.5	Very low	29.7	Very low	109 Å²	109	106 Å²	106	47%	0.474	60%	0.603	S	S	.	*	H	α-helix	trans	-61.8	-39.3	166	-88.1	178.1	177.2	170.3	0	111.1	P548 D549 L554 Q556	P548-K552 WeakPolarHBondContact O-CB 3.15Å; P548-K552 VanDerWaalsContact O-CG 3.25Å; P548-K552 WeakPolarHBondContact O-CG 3.5Å; P548-K552 PolarHBondContact O-N 2.87Å; D549-K552 CarbonylContact O-C 3.56Å; D549-K552 WeakPolarHBondContact O-CB 3.45Å; D549-K552 PolarHBondContact O-N 3Å; K552-L554 VanDerWaalsContact C-N 3.34Å; K552-L554 PolarHBondContact O-N 3.44Å; K552-Q556 HydrophobicContact CB-CG 4.29Å; K552-Q556 HydrophobicContact CG-CG 4.45Å; K552-Q556 VanDerWaalsContact O-CA 3.23Å; K552-Q556 WeakPolarHBondContact O-CA 2.91Å; K552-Q556 WeakPolarHBondContact O-CB 3.39Å; K552-Q556 WeakPolarHBondContact O-CG 3.25Å; K552-Q556 PolarHBondContact O-N 2.97Å
553	V	31.1	Very low	29.8	Very low	117 Å²	117	105.1 Å²	105.1	71%	0.709	60%	0.599	S	S	*	*	H	α-helix	trans	-69.6	-31.1	176.1	171.6	0	0	0	0	112.3	D549 S550 L551	D549-V553 VanDerWaalsContact O-CG2 3.28Å; D549-V553 WeakPolarHBondContact O-CG2 3.49Å; D549-V553 PolarHBondContact O-N 3.4Å; S550-V553 PolarHBondContact O-N 3.04Å; L551-V553 VanDerWaalsContact C-N 3.34Å
554	L	30	Very low	30.1	Very low	126 Å²	126	106 Å²	106	66%	0.66	60%	0.6	S	S	*	*	H	α-helix	trans	-78.5	-34.5	175.6	-97	145.9	0	0	0	113.7	I546 S550 L551 K552	I546-L554 HydrophobicContact CG2-CD1 4.21Å; S550-L554 WeakPolarHBondContact O-CB 3.49Å; S550-L554 PolarHBondContact O-N 3.15Å; L551-L554 PolarHBondContact O-N 3.45Å; K552-L554 VanDerWaalsContact C-N 3.34Å; K552-L554 PolarHBondContact O-N 3.44Å
555	C	30.9	Very low	30.2	Very low	90 Å²	90	108.5 Å²	108.5	61%	0.608	61%	0.609	S	S	*	*	H	α-helix	trans	-102.3	-18.5	-176.9	-62.9	0	0	0	0	113.8	L551	L551-C555 WeakPolarHBondContact O-CB 3.32Å; L551-C555 PolarHBondContact O-N 3.17Å; L551-C555 PolarHBondContact O-SG 3.47Å; L551-C555 VanDerWaalsContact O-SG 3.41Å
556	Q	27.2	Very low	30.7	Very low	79 Å²	79	107.8 Å²	107.8	37%	0.369	60%	0.601	S	S	.	*			trans	-94.8	105.1	164.4	-54.2	176.7	-7.2	0	0	107.1	K552	K552-Q556 HydrophobicContact CB-CG 4.29Å; K552-Q556 HydrophobicContact CG-CG 4.45Å; K552-Q556 VanDerWaalsContact O-CA 3.23Å; K552-Q556 WeakPolarHBondContact O-CA 2.91Å; K552-Q556 WeakPolarHBondContact O-CB 3.39Å; K552-Q556 WeakPolarHBondContact O-CG 3.25Å; K552-Q556 PolarHBondContact O-N 2.97Å
557	S	28.1	Very low	30.7	Very low	96 Å²	96	109.5 Å²	109.5	67%	0.671	61%	0.611	S	S	*	*			trans	-44.9	127.3	132.5	158.6	0	0	0	0	106.2	K559	S557-K559 PolarHBondContact O-N 3.21Å
558	P	24.8	Very low	30.7	Very low	112 Å²	112	110.9 Å²	110.9	73%	0.727	61%	0.613	S	S	*	*	S	Bend	trans	-52.6	117.9	-178.8	20	-29.4	0	0	0	108.2
559	K	24.8	Very low	30.9	Very low	186 Å²	186	113.8 Å²	113.8	81%	0.809	61%	0.611	S	S	*	*	S	Bend	trans	83.5	85.1	174.1	-50.4	174.4	-178.9	-179.2	0	115.6	S557	S557-K559 PolarHBondContact O-N 3.21Å
560	Q	28.2	Very low	31.1	Very low	186 Å²	186	114.7 Å²	114.7	87%	0.869	61%	0.61	S	S	*	*				177.5	131.8	93	-94.6	175	-9.3	0	0	112
561	S	27.7	Very low	31.1	Very low	89 Å²	89	117.7 Å²	117.7	62%	0.622	62%	0.622	S	S	*	*			trans	-72.9	125.8	174	167.7	0	0	0	0	111.2
562	N	32.4	Very low	31.2	Very low	155 Å²	155	117.7 Å²	117.7	83%	0.829	63%	0.625	S	S	*	*				-171.9	111.5	116.9	-91	-6	0	0	0	110.1
563	N	33	Very low	31.5	Very low	128 Å²	128	118.5 Å²	118.5	68%	0.684	63%	0.631	S	S	*	*			trans	-100.2	124.2	-169.9	-91.3	-33	0	0	0	110.7	N566	N563-N566 PolarHBondContact OD1-ND2 3.2Å
564	S	39	Very low	31.6	Very low	101 Å²	101	117.7 Å²	117.7	71%	0.706	62%	0.622	S	S	*	*	S	Bend	trans	-156.4	-38.1	154.4	175.2	0	0	0	0	109.4	N566	S564-N566 VanDerWaalsContact C-N 3.3Å; S564-N566 PolarHBondContact O-N 3.18Å
565	N	36.1	Very low	31.6	Very low	117 Å²	117	112.8 Å²	112.8	63%	0.626	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	6	-175.6	-62.7	9.4	0	0	0	115.2
566	N	36.5	Very low	31.7	Very low	81 Å²	81	110.3 Å²	110.3	43%	0.433	58%	0.58	S	S	.	*	H	α-helix	trans	-87.7	-15.5	-176.2	-88.8	-23.5	0	0	0	114.5	N563 S564	N563-N566 PolarHBondContact OD1-ND2 3.2Å; S564-N566 VanDerWaalsContact C-N 3.3Å; S564-N566 PolarHBondContact O-N 3.18Å
567	N	31.3	Very low	32	Very low	125 Å²	125	111.7 Å²	111.7	67%	0.668	59%	0.59	S	S	*	*	H	α-helix	trans	-77.4	-36.5	173.2	-73.9	-9.7	0	0	0	111.5	R569 K570 L571	N567-R569 PolarHBondContact O-N 3.41Å; N567-K570 PolarHBondContact O-N 3.45Å; N567-L571 PolarHBondContact O-N 2.98Å
568	E	29.4	Very low	32.1	Very low	98 Å²	98	110.6 Å²	110.6	46%	0.458	58%	0.576	S	S	.	*	H	α-helix	trans	-63.6	-39.7	175.3	-76.3	-179.1	142	0	0	112.7	K570 L571 V572	E568-K570 VanDerWaalsContact C-N 3.29Å; E568-K570 PolarHBondContact O-N 3.43Å; E568-L571 PolarHBondContact O-N 2.8Å; E568-V572 WeakPolarHBondContact O-CG2 3.24Å; E568-V572 PolarHBondContact O-N 3.29Å
569	R	35.1	Very low	32.4	Very low	163 Å²	163	107.7 Å²	107.7	62%	0.615	55%	0.553	S	S	*	*	H	α-helix	trans	-61.5	-33.2	177.4	-99.4	-178.3	175.1	166	0.1	113.6	N567 Q573	N567-R569 PolarHBondContact O-N 3.41Å; R569-Q573 WeakPolarHBondContact O-CB 3.16Å; R569-Q573 VanDerWaalsContact O-CG 3.24Å; R569-Q573 WeakPolarHBondContact O-CG 3.49Å; R569-Q573 PolarHBondContact O-N 3.49Å
570	K	35.6	Very low	33	Very low	130 Å²	130	100.8 Å²	100.8	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-73.5	-35.8	178.4	-72.6	-175.7	176.9	-177.4	0	112.1	N567 E568 Q573 L574	N567-K570 PolarHBondContact O-N 3.45Å; E568-K570 VanDerWaalsContact C-N 3.29Å; E568-K570 PolarHBondContact O-N 3.43Å; K570-Q573 PolarHBondContact O-N 2.98Å; K570-L574 PolarHBondContact O-N 2.91Å; K570-L574 VanDerWaalsContact O-N 3.09Å
571	L	31.7	Very low	33.3	Very low	102 Å²	102	96.1 Å²	96.1	53%	0.534	50%	0.499	S	S	.	.	H	α-helix	trans	-67.6	-43	174.5	-102.7	138.7	0	0	0	112.2	N567 E568 Q573 L574 S575 L694	N567-L571 PolarHBondContact O-N 2.98Å; E568-L571 PolarHBondContact O-N 2.8Å; L571-Q573 VanDerWaalsContact C-N 3.31Å; L571-Q573 PolarHBondContact O-N 3.26Å; L571-L574 PolarHBondContact O-N 3.49Å; L571-S575 PolarHBondContact O-N 2.94Å; L571-L694 HydrophobicContact CD1-CD2 3.97Å; L571-L694 HydrophobicContact CD2-CD2 4.22Å
572	V	33.8	Very low	33.8	Very low	82 Å²	82	95.2 Å²	95.2	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-39.9	172.4	172.6	0	0	0	0	110.9	E568 L574 S575 T576	E568-V572 WeakPolarHBondContact O-CG2 3.24Å; E568-V572 PolarHBondContact O-N 3.29Å; V572-L574 VanDerWaalsContact C-N 3.32Å; V572-L574 PolarHBondContact O-N 3.41Å; V572-S575 PolarHBondContact O-OG 3.29Å; V572-T576 VanDerWaalsContact O-CB 3.25Å; V572-T576 WeakPolarHBondContact O-CB 3.31Å; V572-T576 PolarHBondContact O-N 3.5Å; V572-T576 PolarHBondContact O-OG1 3.07Å
573	Q	35.2	Very low	34.1	Very low	126 Å²	126	91.4 Å²	91.4	59%	0.589	46%	0.464	S	S	*	.	H	α-helix	trans	-65.2	-33.3	176.5	-78.9	173.9	-6.9	0	0	113.1	R569 K570 L571 L577	R569-Q573 WeakPolarHBondContact O-CB 3.16Å; R569-Q573 VanDerWaalsContact O-CG 3.24Å; R569-Q573 WeakPolarHBondContact O-CG 3.49Å; R569-Q573 PolarHBondContact O-N 3.49Å; K570-Q573 PolarHBondContact O-N 2.98Å; L571-Q573 VanDerWaalsContact C-N 3.31Å; L571-Q573 PolarHBondContact O-N 3.26Å; Q573-L577 WeakPolarHBondContact O-CB 3.11Å; Q573-L577 PolarHBondContact O-N 3.46Å
574	L	32.1	Very low	34.4	Very low	100 Å²	100	86 Å²	86	52%	0.524	44%	0.436	S	S	.	.	H	α-helix	trans	-75.6	-40.8	178.3	-147.2	113.1	0	0	0	112.1	K570 L571 V572 T576 L577 L578	K570-L574 PolarHBondContact O-N 2.91Å; K570-L574 VanDerWaalsContact O-N 3.09Å; L571-L574 PolarHBondContact O-N 3.49Å; V572-L574 VanDerWaalsContact C-N 3.32Å; V572-L574 PolarHBondContact O-N 3.41Å; L574-T576 VanDerWaalsContact C-N 3.34Å; L574-L577 WeakPolarHBondContact O-CB 3.48Å; L574-L577 PolarHBondContact O-N 2.96Å; L574-L577 VanDerWaalsContact O-N 3.14Å; L574-L578 HydrophobicContact CD2-CD1 4.09Å; L574-L578 WeakPolarHBondContact O-CG 3.23Å; L574-L578 PolarHBondContact O-N 3.34Å
575	S	31.1	Very low	34.5	Very low	22 Å²	22	84.7 Å²	84.7	15%	0.154	43%	0.43	C	S	.	.	H	α-helix	trans	-64.7	-40	174.1	80.6	0	0	0	0	111.4	L571 V572 L577 L578 E579	L571-S575 PolarHBondContact O-N 2.94Å; V572-S575 PolarHBondContact O-OG 3.29Å; S575-L577 PolarHBondContact O-N 3.42Å; S575-L578 PolarHBondContact O-N 3.25Å; S575-E579 PolarHBondContact O-N 3.03Å
576	T	33.2	Very low	34.8	Very low	38 Å²	38	82.8 Å²	82.8	23%	0.233	42%	0.415	C	S	.	.	H	α-helix	trans	-66.2	-26.6	174.7	-49.4	0	0	0	0	111.9	V572 L574 K580 Y784	V572-T576 VanDerWaalsContact O-CB 3.25Å; V572-T576 WeakPolarHBondContact O-CB 3.31Å; V572-T576 PolarHBondContact O-N 3.5Å; V572-T576 PolarHBondContact O-OG1 3.07Å; L574-T576 VanDerWaalsContact C-N 3.34Å; T576-K580 HydrophobicContact CG2-CD 3.72Å; T576-K580 WeakPolarHBondContact O-CB 3.46Å; T576-K580 VanDerWaalsContact O-CD 3.29Å; T576-K580 WeakPolarHBondContact O-CD 3.33Å; T576-K580 WeakPolarHBondContact O-CG 3.48Å; T576-Y784 HydrophobicContact CG2-CE2 4.37Å
577	L	32.1	Very low	35.1	Very low	108 Å²	108	79.5 Å²	79.5	57%	0.565	40%	0.397	S	S	*	.	H	α-helix	trans	-77	-39.4	176.3	-138.2	112.1	0	0	0	111.9	Q573 L574 S575	Q573-L577 WeakPolarHBondContact O-CB 3.11Å; Q573-L577 PolarHBondContact O-N 3.46Å; L574-L577 WeakPolarHBondContact O-CB 3.48Å; L574-L577 PolarHBondContact O-N 2.96Å; L574-L577 VanDerWaalsContact O-N 3.14Å; S575-L577 PolarHBondContact O-N 3.42Å
578	L	31.3	Very low	35.9	Very low	74 Å²	74	73.9 Å²	73.9	39%	0.387	37%	0.368	S	S	.	.	H	α-helix	trans	-75.2	-35.9	-179.1	-74.2	164.9	0	0	0	112.6	L574 S575 K580	L574-L578 HydrophobicContact CD2-CD1 4.09Å; L574-L578 WeakPolarHBondContact O-CG 3.23Å; L574-L578 PolarHBondContact O-N 3.34Å; S575-L578 PolarHBondContact O-N 3.25Å; L578-K580 PolarHBondContact O-N 2.97Å
579	E	31.9	Very low	36.6	Very low	51 Å²	51	74 Å²	74	24%	0.238	37%	0.371	C	S	.	.	H	α-helix	trans	-73.5	-21.2	180	-86.1	-177.1	145.4	0	0	114.1	S575 W635	S575-E579 PolarHBondContact O-N 3.03Å; E579-W635 PolarHBondContact O-NE1 3.43Å
580	K	35.8	Very low	37.1	Very low	40 Å²	40	67.8 Å²	67.8	17%	0.174	35%	0.35	C	S	.	.	H	α-helix	trans	-115.1	-21.7	-157.1	-78	176.5	148.5	-157.3	0	119.5	T576 L578 Y784 I788	T576-K580 HydrophobicContact CG2-CD 3.72Å; T576-K580 WeakPolarHBondContact O-CB 3.46Å; T576-K580 VanDerWaalsContact O-CD 3.29Å; T576-K580 WeakPolarHBondContact O-CD 3.33Å; T576-K580 WeakPolarHBondContact O-CG 3.48Å; L578-K580 PolarHBondContact O-N 2.97Å; K580-Y784 HydrophobicContact CD-CE2 4.25Å; K580-Y784 WeakPolarHBondContact CE-OH 3.19Å; K580-Y784 VanDerWaalsContact NZ-CD1 3.32Å; K580-Y784 PolarHBondContact NZ-OH 3.19Å; K580-I788 HydrophobicContact CB-CD1 4.09Å; K580-I788 HydrophobicContact CD-CD1 3.48Å; K580-I788 VanDerWaalsContact CD-CD1 3.48Å; K580-I788 HydrophobicContact CD-CG1 4.36Å; K580-I788 VanDerWaalsContact CE-CD1 3.43Å; K580-I788 HydrophobicContact CG-CD1 4Å
581	K	35.8	Very low	37.8	Very low	88 Å²	88	61.6 Å²	61.6	38%	0.383	32%	0.323	S	S	.	.	S	Bend	trans	-95	-11.5	-159.9	-122	-158.7	176.4	-171	0	119.1	I791 W840	K581-I791 HydrophobicContact CD-CG2 4.16Å; K581-I791 HydrophobicContact CG-CG2 3.7Å; K581-W840 HydrophobicContact CB-CH2 3.96Å; K581-W840 HydrophobicContact CB-CZ2 4.11Å
582	L	38.3	Very low	38.7	Very low	70 Å²	70	57.3 Å²	57.3	37%	0.366	30%	0.301	S	S	.	.	S	Bend	trans	-152.7	-13.9	-176.2	-137.6	84.5	0	0	0	119.5	W840	L582-W840 HydrophobicContact CB-CH2 4.04Å; L582-W840 HydrophobicContact CB-CZ2 3.6Å; L582-W840 HydrophobicContact CD1-CZ2 4Å; L582-W840 HydrophobicContact CD2-CZ2 4.21Å; L582-W840 HydrophobicContact CG-CZ2 4.14Å
583	H	37.7	Very low	39.5	Very low	76 Å²	76	57.7 Å²	57.7	35%	0.352	29%	0.293	S	S	.	.	S	Bend	trans	-100.1	-48.2	-162.4	-73.5	-72.5	0	0	0	115.7	A585 Y586 L587 W635 L682	H583-A585 PolarHBondContact O-N 3.27Å; H583-Y586 PolarHBondContact O-N 3.45Å; H583-L587 WeakPolarHBondContact O-CA 3.36Å; H583-L587 WeakPolarHBondContact O-CB 3.5Å; H583-L587 PolarHBondContact O-N 3.46Å; H583-W635 HydrophobicContact CB-CH2 4.44Å; H583-W635 HydrophobicContact CB-CZ2 3.95Å; H583-L682 HydrophobicContact CB-CD2 4.18Å
584	L	39.7	Very low	40.1	Very low	15 Å²	15	52.9 Å²	52.9	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-58.5	-162.4	-173.8	66.6	0	0	0	115.2	Y586 L587 C588 W635 L639 M643	L584-Y586 PolarHBondContact O-N 3.27Å; L584-L587 PolarHBondContact O-N 3.17Å; L584-C588 VanDerWaalsContact O-CB 3.24Å; L584-C588 WeakPolarHBondContact O-CB 3.48Å; L584-C588 PolarHBondContact O-N 3.48Å; L584-C588 PolarHBondContact O-SG 2.86Å; L584-W635 HydrophobicContact CB-CH2 3.82Å; L584-W635 HydrophobicContact CB-CZ2 3.6Å; L584-W635 HydrophobicContact CB-CZ3 4.28Å; L584-W635 HydrophobicContact CD1-CD2 4.41Å; L584-W635 HydrophobicContact CD1-CE3 3.78Å; L584-W635 HydrophobicContact CD1-CH2 3.6Å; L584-W635 HydrophobicContact CD1-CZ2 4.21Å; L584-W635 HydrophobicContact CD1-CZ3 3.29Å; L584-W635 HydrophobicContact CG-CH2 4.29Å; L584-W635 HydrophobicContact CG-CZ2 4.47Å; L584-W635 HydrophobicContact CG-CZ3 4.31Å; L584-L639 HydrophobicContact CD1-CD2 4Å; L584-L639 HydrophobicContact CD2-CD2 3.72Å; L584-M643 HydrophobicContact CD1-CE 4.15Å; L584-M643 HydrophobicContact CD1-SD 3.47Å; L584-M643 WeakPolarHBondContact CD1-SD 3.48Å
585	A	41.2	Very low	41.1	Very low	72 Å²	72	48.1 Å²	48.1	60%	0.595	25%	0.246	S	C	*	.	H	α-helix	trans	-63.2	-41.2	-179.1	0	0	0	0	0	112.1	H583 D589	H583-A585 PolarHBondContact O-N 3.27Å; A585-D589 VanDerWaalsContact O-CB 3.25Å; A585-D589 WeakPolarHBondContact O-CB 3.45Å; A585-D589 PolarHBondContact O-N 3.26Å
586	Y	41	Very low	42.1	Very low	77 Å²	77	49 Å²	49	30%	0.302	25%	0.247	S	C	.	.	H	α-helix	trans	-68.7	-38.3	178.3	-177.2	-96.3	0	0	0	112.8	H583 L584 L590 L833	H583-Y586 PolarHBondContact O-N 3.45Å; L584-Y586 PolarHBondContact O-N 3.27Å; Y586-L590 WeakPolarHBondContact O-CB 3.46Å; Y586-L590 PolarHBondContact O-N 3.24Å; Y586-L833 HydrophobicContact CD1-CD1 4.16Å; Y586-L833 HydrophobicContact CE1-CD1 3.32Å; Y586-L833 HydrophobicContact CE1-CD2 4.02Å; Y586-L833 HydrophobicContact CE1-CG 4.25Å; Y586-L833 WeakPolarHBondContact OH-CD1 3.3Å
587	L	43.2	Very low	42.9	Very low	13 Å²	13	51 Å²	51	7%	0.068	25%	0.253	C	S	.	.	H	α-helix	trans	-69.3	-42.2	177.6	-168.2	79.3	0	0	0	110	H583 L584 L591 W635 M643 F675 V679 L682	H583-L587 WeakPolarHBondContact O-CA 3.36Å; H583-L587 WeakPolarHBondContact O-CB 3.5Å; H583-L587 PolarHBondContact O-N 3.46Å; L584-L587 PolarHBondContact O-N 3.17Å; L587-L591 VanDerWaalsContact O-CB 3.32Å; L587-L591 WeakPolarHBondContact O-CB 3.4Å; L587-L591 PolarHBondContact O-N 3.15Å; L587-W635 HydrophobicContact CD2-CH2 3.91Å; L587-M643 HydrophobicContact CD2-CE 3.93Å; L587-M643 HydrophobicContact CG-CE 4.41Å; L587-F675 HydrophobicContact CB-CZ 4.42Å; L587-F675 HydrophobicContact CD1-CD2 4.28Å; L587-F675 HydrophobicContact CD1-CE1 4.11Å; L587-F675 HydrophobicContact CD1-CE2 3.22Å; L587-F675 HydrophobicContact CD1-CZ 3.14Å; L587-F675 HydrophobicContact CG-CE1 4.27Å; L587-F675 HydrophobicContact CG-CE2 4.03Å; L587-F675 HydrophobicContact CG-CZ 3.44Å; L587-F675 VanDerWaalsContact CG-CZ 3.44Å; L587-F675 WeakPolarHBondContact O-CZ 3.45Å; L587-V679 HydrophobicContact CD1-CG2 3.95Å; L587-V679 HydrophobicContact CD2-CB 4.49Å; L587-V679 HydrophobicContact CD2-CG1 4.16Å; L587-V679 HydrophobicContact CD2-CG2 3.75Å; L587-V679 HydrophobicContact CG-CG2 4.08Å; L587-L682 HydrophobicContact CD2-CD2 4.44Å
588	C	47.6	Very low	43.9	Very low	6 Å²	6	46.7 Å²	46.7	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-50.4	171.8	-67.9	0	0	0	0	110.8	L584 L590 L591 L592 L627 M643	L584-C588 VanDerWaalsContact O-CB 3.24Å; L584-C588 WeakPolarHBondContact O-CB 3.48Å; L584-C588 PolarHBondContact O-N 3.48Å; L584-C588 PolarHBondContact O-SG 2.86Å; C588-L590 VanDerWaalsContact C-N 3.28Å; C588-L590 PolarHBondContact O-N 2.87Å; C588-L591 WeakPolarHBondContact O-CA 3.38Å; C588-L591 VanDerWaalsContact O-CB 3.28Å; C588-L591 WeakPolarHBondContact O-CB 3.3Å; C588-L591 PolarHBondContact O-N 2.77Å; C588-L592 WeakPolarHBondContact O-CB 3.25Å; C588-L592 WeakPolarHBondContact O-CD1 3.41Å; C588-L592 WeakPolarHBondContact O-CG 3.29Å; C588-L592 PolarHBondContact O-N 2.77Å; C588-L627 HydrophobicContact CB-CD1 3.61Å; C588-L627 WeakPolarHBondContact SG-CD1 3.31Å; C588-M643 WeakPolarHBondContact SG-CE 3.26Å
589	D	46.1	Very low	44.9	Very low	100 Å²	100	43.3 Å²	43.3	54%	0.535	21%	0.212	S	C	.	.	H	α-helix	trans	-56.6	-43	175.7	-74	-12.2	0	0	0	111.2	A585 W593	A585-D589 VanDerWaalsContact O-CB 3.25Å; A585-D589 WeakPolarHBondContact O-CB 3.45Å; A585-D589 PolarHBondContact O-N 3.26Å; D589-W593 WeakPolarHBondContact O-CB 3.46Å; D589-W593 PolarHBondContact O-N 3.07Å
590	L	44.9	Very low	45.7	Very low	33 Å²	33	46 Å²	46	17%	0.173	23%	0.228	C	C	.	.	H	α-helix	trans	-68.1	-36.1	177.2	-160.8	77.4	0	0	0	112	Y586 C588 K594 F675	Y586-L590 WeakPolarHBondContact O-CB 3.46Å; Y586-L590 PolarHBondContact O-N 3.24Å; C588-L590 VanDerWaalsContact C-N 3.28Å; C588-L590 PolarHBondContact O-N 2.87Å; L590-K594 VanDerWaalsContact O-CB 3.32Å; L590-K594 WeakPolarHBondContact O-CB 3.43Å; L590-K594 WeakPolarHBondContact O-CG 3.25Å; L590-K594 PolarHBondContact O-N 2.88Å; L590-F675 HydrophobicContact CB-CE2 4.4Å; L590-F675 HydrophobicContact CD2-CD2 3.96Å; L590-F675 HydrophobicContact CD2-CE2 3.65Å; L590-F675 HydrophobicContact CG-CE2 4.44Å
591	L	49.7	Very low	46.5	Very low	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-54.3	172.8	-99.5	158.4	0	0	0	111.5	L587 C588 W593 K594 A595 M643 W646 I647 F672 F675	L587-L591 VanDerWaalsContact O-CB 3.32Å; L587-L591 WeakPolarHBondContact O-CB 3.4Å; L587-L591 PolarHBondContact O-N 3.15Å; C588-L591 WeakPolarHBondContact O-CA 3.38Å; C588-L591 VanDerWaalsContact O-CB 3.28Å; C588-L591 WeakPolarHBondContact O-CB 3.3Å; C588-L591 PolarHBondContact O-N 2.77Å; L591-W593 VanDerWaalsContact C-N 3.29Å; L591-W593 PolarHBondContact O-N 2.74Å; L591-K594 PolarHBondContact O-N 3.25Å; L591-A595 VanDerWaalsContact O-CB 3.28Å; L591-A595 WeakPolarHBondContact O-CB 3.45Å; L591-A595 PolarHBondContact O-N 3.5Å; L591-M643 HydrophobicContact CD1-CE 3.71Å; L591-W646 HydrophobicContact CB-CZ3 4.05Å; L591-W646 HydrophobicContact CD2-CE3 3.91Å; L591-W646 HydrophobicContact CD2-CZ3 3.46Å; L591-W646 VanDerWaalsContact CD2-CZ3 3.46Å; L591-W646 HydrophobicContact CG-CZ3 4.22Å; L591-I647 HydrophobicContact CD1-CD1 4.01Å; L591-I647 HydrophobicContact CD1-CG1 4.11Å; L591-I647 HydrophobicContact CD2-CD1 4.19Å; L591-I647 HydrophobicContact CD2-CG1 3.55Å; L591-I647 HydrophobicContact CG-CG1 4.45Å; L591-F672 HydrophobicContact CD2-CE2 3.71Å; L591-F672 HydrophobicContact CD2-CZ 3.77Å; L591-F675 HydrophobicContact CD1-CE1 3.63Å; L591-F675 HydrophobicContact CD1-CZ 4Å; L591-F675 HydrophobicContact CD2-CD1 4.26Å; L591-F675 HydrophobicContact CD2-CE1 3.71Å; L591-F675 HydrophobicContact CG-CD1 4.29Å; L591-F675 HydrophobicContact CG-CE1 3.32Å; L591-F675 HydrophobicContact CG-CZ 3.7Å
592	L	51.5	Low	46.9	Very low	12 Å²	12	50.3 Å²	50.3	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-45.4	179	-65.7	166.6	0	0	0	109.5	C588 A595 H596 I620 F623 E624	C588-L592 WeakPolarHBondContact O-CB 3.25Å; C588-L592 WeakPolarHBondContact O-CD1 3.41Å; C588-L592 WeakPolarHBondContact O-CG 3.29Å; C588-L592 PolarHBondContact O-N 2.77Å; L592-A595 PolarHBondContact O-N 2.88Å; L592-H596 WeakPolarHBondContact O-CB 3.49Å; L592-H596 PolarHBondContact O-N 3.24Å; L592-H596 PolarHBondContact O-ND1 2.8Å; L592-H596 VanDerWaalsContact O-ND1 3.14Å; L592-I620 HydrophobicContact CD2-CG2 3.49Å; L592-I620 VanDerWaalsContact CD2-CG2 3.49Å; L592-F623 HydrophobicContact CD2-CD1 3.89Å; L592-F623 HydrophobicContact CD2-CE1 4.46Å; L592-E624 HydrophobicContact CD1-CG 3.61Å; L592-E624 HydrophobicContact CD2-CG 3.38Å; L592-E624 HydrophobicContact CG-CG 4.12Å
593	W	48.9	Very low	47.3	Very low	90 Å²	90	49.4 Å²	49.4	34%	0.341	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-45	177.1	-174.4	78.7	0	0	0	113.3	D589 L591 A595 H596 K597 F826	D589-W593 WeakPolarHBondContact O-CB 3.46Å; D589-W593 PolarHBondContact O-N 3.07Å; L591-W593 VanDerWaalsContact C-N 3.29Å; L591-W593 PolarHBondContact O-N 2.74Å; W593-A595 VanDerWaalsContact C-N 3.33Å; W593-A595 PolarHBondContact O-N 3.38Å; W593-H596 PolarHBondContact O-N 3.41Å; W593-K597 HydrophobicContact CH2-CD 4.42Å; W593-K597 PolarHBondContact O-N 3.39Å; W593-F826 AromaticContact CH2-CD2 3.47Å; W593-F826 HydrophobicContact CH2-CD2 3.47Å; W593-F826 VanDerWaalsContact CH2-CD2 3.47Å; W593-F826 AromaticContact CH2-CE2 3.97Å; W593-F826 HydrophobicContact CH2-CE2 3.97Å; W593-F826 HydrophobicContact CH2-CG 4.35Å; W593-F826 HydrophobicContact CZ2-CD2 4.46Å; W593-F826 AromaticContact CZ3-CD2 3.73Å; W593-F826 HydrophobicContact CZ3-CD2 3.73Å; W593-F826 AromaticContact CZ3-CE2 3.74Å; W593-F826 HydrophobicContact CZ3-CE2 3.74Å
594	K	49.3	Very low	47.8	Very low	25 Å²	25	53.7 Å²	53.7	11%	0.109	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-40.4	175.1	-80.6	-170	173	-170.4	0	111.2	L590 L591 K597 I598 E671 F672	L590-K594 VanDerWaalsContact O-CB 3.32Å; L590-K594 WeakPolarHBondContact O-CB 3.43Å; L590-K594 WeakPolarHBondContact O-CG 3.25Å; L590-K594 PolarHBondContact O-N 2.88Å; L591-K594 PolarHBondContact O-N 3.25Å; K594-K597 PolarHBondContact O-N 3.4Å; K594-I598 WeakPolarHBondContact O-CG1 3.3Å; K594-I598 PolarHBondContact O-N 2.86Å; K594-E671 PolarHBondContact NZ-O 2.9Å; K594-E671 VanDerWaalsContact NZ-O 3.11Å; K594-E671 IonicContact NZ-OE2 2.9Å; K594-E671 PolarHBondContact NZ-OE2 3.49Å; K594-F672 HydrophobicContact CB-CD2 4.26Å; K594-F672 HydrophobicContact CD-CD2 4.33Å
595	A	52.4	Low	48.4	Very low	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-44.9	177	0	0	0	0	0	111.8	L591 L592 W593 K597 I598 I599 I620 W646 I650	L591-A595 VanDerWaalsContact O-CB 3.28Å; L591-A595 WeakPolarHBondContact O-CB 3.45Å; L591-A595 PolarHBondContact O-N 3.5Å; L592-A595 PolarHBondContact O-N 2.88Å; W593-A595 VanDerWaalsContact C-N 3.33Å; W593-A595 PolarHBondContact O-N 3.38Å; A595-K597 VanDerWaalsContact C-N 3.27Å; A595-K597 PolarHBondContact O-N 3.22Å; A595-I598 WeakPolarHBondContact O-CB 3.4Å; A595-I598 PolarHBondContact O-N 2.94Å; A595-I598 VanDerWaalsContact O-N 3.11Å; A595-I599 PolarHBondContact O-N 2.96Å; A595-I599 VanDerWaalsContact O-N 3.13Å; A595-I620 HydrophobicContact CB-CD1 3.51Å; A595-I620 HydrophobicContact CB-CG1 3.91Å; A595-W646 HydrophobicContact CB-CH2 3.73Å; A595-W646 HydrophobicContact CB-CZ2 4.49Å; A595-I650 HydrophobicContact CB-CD1 4.18Å
596	H	52.2	Low	49.1	Very low	41 Å²	41	56.4 Å²	56.4	19%	0.19	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-36.8	172.3	-71	146.1	0	0	0	112.5	I169 L592 W593 I598 I599 L600 I620 E624	I169-H596 HydrophobicContact CD1-CB 4.36Å; I169-H596 WeakPolarHBondContact CD1-CD2 3.38Å; I169-H596 WeakPolarHBondContact CD1-NE2 3.29Å; L592-H596 WeakPolarHBondContact O-CB 3.49Å; L592-H596 PolarHBondContact O-N 3.24Å; L592-H596 PolarHBondContact O-ND1 2.8Å; L592-H596 VanDerWaalsContact O-ND1 3.14Å; W593-H596 PolarHBondContact O-N 3.41Å; H596-I598 VanDerWaalsContact C-N 3.34Å; H596-I598 PolarHBondContact O-N 3.41Å; H596-I599 WeakPolarHBondContact O-CB 3.36Å; H596-I599 PolarHBondContact O-N 3.22Å; H596-L600 WeakPolarHBondContact O-CB 3.47Å; H596-L600 WeakPolarHBondContact O-CG 3.46Å; H596-L600 PolarHBondContact O-N 2.94Å; H596-I620 VanDerWaalsContact NE2-CG2 3.34Å; H596-I620 WeakPolarHBondContact NE2-CG2 3.46Å; H596-E624 IonicContact CE1-OE1 2.79Å
597	K	49.7	Very low	49.9	Very low	79 Å²	79	57.1 Å²	57.1	34%	0.343	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-35.7	175.9	-168.1	179.8	172.2	-174.5	0	112.3	W593 K594 A595 I599 L600 T601 M668	W593-K597 HydrophobicContact CH2-CD 4.42Å; W593-K597 PolarHBondContact O-N 3.39Å; K594-K597 PolarHBondContact O-N 3.4Å; A595-K597 VanDerWaalsContact C-N 3.27Å; A595-K597 PolarHBondContact O-N 3.22Å; K597-I599 VanDerWaalsContact C-N 3.31Å; K597-L600 PolarHBondContact O-N 2.74Å; K597-T601 PolarHBondContact O-N 2.93Å; K597-T601 PolarHBondContact O-OG1 3.34Å; K597-M668 HydrophobicContact CB-CE 3.94Å; K597-M668 HydrophobicContact CD-CE 3.69Å; K597-M668 HydrophobicContact CD-SD 3.51Å; K597-M668 VanDerWaalsContact CD-SD 3.51Å; K597-M668 WeakPolarHBondContact CE-SD 3.18Å; K597-M668 HydrophobicContact CG-CE 3.56Å; K597-M668 HydrophobicContact CG-SD 4.1Å
598	I	53.7	Low	50.6	Low	18 Å²	18	60.9 Å²	60.9	9%	0.092	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-35.6	173.6	-62.2	167.4	0	0	0	110.7	K594 A595 H596 T601 M616 I650 M668 W669	K594-I598 WeakPolarHBondContact O-CG1 3.3Å; K594-I598 PolarHBondContact O-N 2.86Å; A595-I598 WeakPolarHBondContact O-CB 3.4Å; A595-I598 PolarHBondContact O-N 2.94Å; A595-I598 VanDerWaalsContact O-N 3.11Å; H596-I598 VanDerWaalsContact C-N 3.34Å; H596-I598 PolarHBondContact O-N 3.41Å; I598-T601 PolarHBondContact O-OG1 3.03Å; I598-M616 HydrophobicContact CB-CE 4.23Å; I598-M616 HydrophobicContact CG2-CE 3.74Å; I598-I650 HydrophobicContact CD1-CG2 4.37Å; I598-M668 HydrophobicContact CG1-CE 3.85Å; I598-W669 HydrophobicContact CD1-CH2 4.15Å; I598-W669 HydrophobicContact CD1-CZ3 4.2Å; I598-W669 HydrophobicContact CG2-CZ2 4.33Å
599	I	51.5	Low	51.3	Low	3 Å²	3	62.4 Å²	62.4	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-67.5	-35.8	172.5	-63.2	178.1	0	0	0	111.7	I169 C170 A595 H596 K597 Y605 C613 M616 D617 I620	I169-I599 HydrophobicContact CB-CG2 4.38Å; I169-I599 HydrophobicContact CG2-CG2 4.16Å; C170-I599 VanDerWaalsContact SG-CG2 3.57Å; A595-I599 PolarHBondContact O-N 2.96Å; A595-I599 VanDerWaalsContact O-N 3.13Å; H596-I599 WeakPolarHBondContact O-CB 3.36Å; H596-I599 PolarHBondContact O-N 3.22Å; K597-I599 VanDerWaalsContact C-N 3.31Å; I599-Y605 PolarHBondContact O-OH 3.43Å; I599-C613 HydrophobicContact CG2-CB 4.35Å; I599-M616 HydrophobicContact CB-CE 4.35Å; I599-M616 HydrophobicContact CD1-CB 4.09Å; I599-M616 HydrophobicContact CD1-CE 4.27Å; I599-M616 HydrophobicContact CD1-CG 4.01Å; I599-M616 HydrophobicContact CG1-CB 4.24Å; I599-M616 HydrophobicContact CG1-CE 3.29Å; I599-M616 HydrophobicContact CG1-CG 4.08Å; I599-M616 HydrophobicContact CG1-SD 4.37Å; I599-D617 HydrophobicContact CD1-CB 3.89Å; I599-I620 HydrophobicContact CD1-CD1 3.39Å; I599-I620 HydrophobicContact CG1-CD1 4.36Å
600	L	48.3	Very low	52	Low	107 Å²	107	59 Å²	59	56%	0.56	29%	0.294	S	S	*	.	H	α-helix	trans	-90.4	-14.6	-173.9	-74.7	171.1	0	0	0	114.3	I169 H596 K597 Q602	I169-L600 HydrophobicContact CG2-CD1 4.27Å; I169-L600 HydrophobicContact CG2-CD2 3.39Å; I169-L600 HydrophobicContact CG2-CG 3.77Å; H596-L600 WeakPolarHBondContact O-CB 3.47Å; H596-L600 WeakPolarHBondContact O-CG 3.46Å; H596-L600 PolarHBondContact O-N 2.94Å; K597-L600 PolarHBondContact O-N 2.74Å; L600-Q602 PolarHBondContact O-N 3.18Å
601	T	53.7	Low	52.8	Low	30 Å²	30	57.5 Å²	57.5	18%	0.184	29%	0.286	C	S	.	.	S	Bend	trans	-59.2	111.6	172.8	30.3	0	0	0	0	108.3	K597 I598 L603 Y605 M668	K597-T601 PolarHBondContact O-N 2.93Å; K597-T601 PolarHBondContact O-OG1 3.34Å; I598-T601 PolarHBondContact O-OG1 3.03Å; T601-L603 PolarHBondContact O-N 2.91Å; T601-Y605 PolarHBondContact O-OH 2.8Å; T601-M668 HydrophobicContact CG2-CE 4.19Å
602	Q	43.3	Very low	53.5	Low	189 Å²	189	59.7 Å²	59.7	88%	0.883	30%	0.296	S	S	*	.			trans	-59.8	81.7	-177.2	-65.6	177.2	-9	0	0	110.9	L600	L600-Q602 PolarHBondContact O-N 3.18Å
603	L	47.5	Very low	54	Low	51 Å²	51	59.2 Å²	59.2	27%	0.267	29%	0.293	S	S	.	.			trans	-78.8	147.3	166	-67	166.2	0	0	0	107.5	T601 Y605 F657	T601-L603 PolarHBondContact O-N 2.91Å; L603-Y605 HydrophobicContact CB-CD1 3.9Å; L603-Y605 HydrophobicContact CB-CE1 3.68Å; L603-Y605 HydrophobicContact CB-CG 4.5Å; L603-Y605 HydrophobicContact CD1-CE1 4.21Å; L603-Y605 HydrophobicContact CG-CE1 4.41Å; L603-Y605 WeakPolarHBondContact O-CD2 3.4Å; L603-Y605 PolarHBondContact O-N 3.31Å; L603-F657 HydrophobicContact CD1-CD1 4.36Å
604	N	48	Very low	54.7	Low	166 Å²	166	54.9 Å²	54.9	89%	0.888	28%	0.277	S	S	*	.			trans	-65.8	82.5	164.2	-80.8	-29.2	0	0	0	107.3	T606	N604-T606 PolarHBondContact O-N 3.47Å
605	Y	52.3	Low	55.5	Low	71 Å²	71	53.9 Å²	53.9	28%	0.278	27%	0.273	S	S	.	.			trans	-65.6	122.1	-171.9	-63.3	-66.2	0	0	0	110.4	I599 T601 L603 D609 I610 C613	I599-Y605 PolarHBondContact O-OH 3.43Å; T601-Y605 PolarHBondContact O-OH 2.8Å; L603-Y605 HydrophobicContact CB-CD1 3.9Å; L603-Y605 HydrophobicContact CB-CE1 3.68Å; L603-Y605 HydrophobicContact CB-CG 4.5Å; L603-Y605 HydrophobicContact CD1-CE1 4.21Å; L603-Y605 HydrophobicContact CG-CE1 4.41Å; L603-Y605 WeakPolarHBondContact O-CD2 3.4Å; L603-Y605 PolarHBondContact O-N 3.31Å; Y605-D609 HydrophobicContact CD1-CB 3.67Å; Y605-D609 HydrophobicContact CG-CB 4.45Å; Y605-I610 VanDerWaalsContact CB-CG1 3.48Å; Y605-I610 HydrophobicContact CG-CG1 4.13Å; Y605-C613 WeakPolarHBondContact CE1-SG 3.25Å
606	T	57.3	Low	56	Low	73 Å²	73	54 Å²	54	45%	0.448	27%	0.273	S	S	.	.			trans	-70.5	160.1	156.2	62.8	0	0	0	0	109.3	N604 D608 D609 I610	N604-T606 PolarHBondContact O-N 3.47Å; T606-D608 PolarHBondContact O-N 3.42Å; T606-D608 VanDerWaalsContact O-N 3.07Å; T606-D609 WeakPolarHBondContact CB-OD2 3.44Å; T606-D609 PolarHBondContact N-OD2 2.93Å; T606-D609 PolarHBondContact O-N 3.49Å; T606-D609 PolarHBondContact OG1-N 2.89Å; T606-D609 PolarHBondContact OG1-OD2 3.13Å; T606-I610 PolarHBondContact O-N 3.11Å; T606-I610 VanDerWaalsContact O-N 3.1Å
607	D	56.4	Low	56.5	Low	93 Å²	93	52.5 Å²	52.5	50%	0.497	27%	0.267	S	S	.	.	H	α-helix	trans	-49.7	-35.4	173.5	-76.9	-11.7	0	0	0	110.8	K254 V611	K254-D607 IonicContact NZ-OD2 3.89Å; D607-V611 VanDerWaalsContact O-CG2 3.27Å; D607-V611 WeakPolarHBondContact O-CG2 3.47Å; D607-V611 PolarHBondContact O-N 3.29Å
608	D	58.8	Low	57.2	Low	92 Å²	92	48.8 Å²	48.8	49%	0.492	25%	0.251	S	S	.	.	H	α-helix	trans	-68.4	-38.7	177.3	-66.5	-25.1	0	0	0	112.7	T606 V611 K612	T606-D608 PolarHBondContact O-N 3.42Å; T606-D608 VanDerWaalsContact O-N 3.07Å; D608-V611 PolarHBondContact O-N 3.29Å; D608-K612 WeakPolarHBondContact O-CG 3.33Å; D608-K612 PolarHBondContact O-N 3.33Å; D608-K612 VanDerWaalsContact O-N 3.12Å
609	D	61.2	Low	57.8	Low	38 Å²	38	48.8 Å²	48.8	20%	0.203	25%	0.25	C	S	.	.	H	α-helix	trans	-70.7	-36.2	178.3	-56.5	-49.5	0	0	0	111.9	Y605 T606 V611 K612 C613	Y605-D609 HydrophobicContact CD1-CB 3.67Å; Y605-D609 HydrophobicContact CG-CB 4.45Å; T606-D609 WeakPolarHBondContact CB-OD2 3.44Å; T606-D609 PolarHBondContact N-OD2 2.93Å; T606-D609 PolarHBondContact O-N 3.49Å; T606-D609 PolarHBondContact OG1-N 2.89Å; T606-D609 PolarHBondContact OG1-OD2 3.13Å; D609-V611 VanDerWaalsContact C-N 3.3Å; D609-V611 PolarHBondContact O-N 2.97Å; D609-K612 PolarHBondContact O-N 3.22Å; D609-C613 WeakPolarHBondContact O-CB 3.35Å; D609-C613 PolarHBondContact O-N 2.96Å; D609-C613 PolarHBondContact O-SG 3.18Å
610	I	61.4	Low	58.3	Low	28 Å²	28	48.7 Å²	48.7	14%	0.144	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-44.6	174.7	-59.7	-179.5	0	0	0	109.9	C173 Y605 T606 K612 C613 Q614	C173-I610 HydrophobicContact CB-CG2 4.31Å; Y605-I610 VanDerWaalsContact CB-CG1 3.48Å; Y605-I610 HydrophobicContact CG-CG1 4.13Å; T606-I610 PolarHBondContact O-N 3.11Å; T606-I610 VanDerWaalsContact O-N 3.1Å; I610-K612 VanDerWaalsContact C-N 3.35Å; I610-K612 PolarHBondContact O-N 3.48Å; I610-C613 PolarHBondContact O-N 3.37Å; I610-Q614 HydrophobicContact CG2-CG 4.44Å; I610-Q614 WeakPolarHBondContact O-CG 3.41Å; I610-Q614 PolarHBondContact O-N 3.3Å
611	V	62.5	Low	59	Low	2 Å²	2	45.3 Å²	45.3	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-43.8	179	170.4	0	0	0	0	111.7	P247 L250 L251 D607 D608 D609 Q614 S615	P247-V611 HydrophobicContact CB-CG1 3.37Å; P247-V611 WeakPolarHBondContact O-CG1 3.01Å; L250-V611 HydrophobicContact CB-CG1 4.49Å; L250-V611 HydrophobicContact CD1-CG1 4.29Å; L251-V611 HydrophobicContact CD1-CG2 3.21Å; L251-V611 HydrophobicContact CD2-CG2 3.67Å; L251-V611 HydrophobicContact CG-CG2 3.23Å; D607-V611 VanDerWaalsContact O-CG2 3.27Å; D607-V611 WeakPolarHBondContact O-CG2 3.47Å; D607-V611 PolarHBondContact O-N 3.29Å; D608-V611 PolarHBondContact O-N 3.29Å; D609-V611 VanDerWaalsContact C-N 3.3Å; D609-V611 PolarHBondContact O-N 2.97Å; V611-Q614 PolarHBondContact O-N 3.41Å; V611-S615 WeakPolarHBondContact O-CB 3.36Å; V611-S615 PolarHBondContact O-N 2.96Å
612	K	63.9	Low	59.6	Low	46 Å²	46	44.1 Å²	44.1	20%	0.2	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-44.1	175.2	-69.3	-179.4	-178	-151.9	0	111.3	D608 D609 I610 Q614 S615 M616 W653 E656 F657	D608-K612 WeakPolarHBondContact O-CG 3.33Å; D608-K612 PolarHBondContact O-N 3.33Å; D608-K612 VanDerWaalsContact O-N 3.12Å; D609-K612 PolarHBondContact O-N 3.22Å; I610-K612 VanDerWaalsContact C-N 3.35Å; I610-K612 PolarHBondContact O-N 3.48Å; K612-Q614 PolarHBondContact O-N 2.85Å; K612-S615 WeakPolarHBondContact O-CB 3.38Å; K612-S615 PolarHBondContact O-N 3.14Å; K612-M616 PolarHBondContact O-N 3.33Å; K612-W653 HydrophobicContact CB-CZ3 4.41Å; K612-W653 WeakPolarHBondContact O-CZ3 3.36Å; K612-E656 IonicContact NZ-OE2 2.65Å; K612-E656 PolarHBondContact NZ-OE2 2.76Å; K612-F657 HydrophobicContact CB-CE1 4.49Å; K612-F657 HydrophobicContact CB-CE2 4.28Å; K612-F657 HydrophobicContact CB-CZ 3.65Å; K612-F657 HydrophobicContact CD-CE1 4.49Å; K612-F657 HydrophobicContact CD-CE2 4.24Å; K612-F657 HydrophobicContact CD-CZ 3.99Å; K612-F657 HydrophobicContact CG-CZ 4.49Å
613	C	61.5	Low	60.6	Low	1 Å²	1	35.2 Å²	35.2	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-41.7	176.8	-67.1	0	0	0	0	112.4	I599 Y605 D609 I610 M616 D617	I599-C613 HydrophobicContact CG2-CB 4.35Å; Y605-C613 WeakPolarHBondContact CE1-SG 3.25Å; D609-C613 WeakPolarHBondContact O-CB 3.35Å; D609-C613 PolarHBondContact O-N 2.96Å; D609-C613 PolarHBondContact O-SG 3.18Å; I610-C613 PolarHBondContact O-N 3.37Å; C613-M616 WeakPolarHBondContact O-CB 3.43Å; C613-M616 PolarHBondContact O-N 2.9Å; C613-D617 PolarHBondContact O-N 2.91Å
614	Q	64.4	Low	61.3	Low	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-39.9	174.7	-74.1	179.2	-8	0	0	112.3	C170 I610 V611 K612 M616 D617 F618	C170-Q614 HydrophobicContact CB-CG 4.09Å; I610-Q614 HydrophobicContact CG2-CG 4.44Å; I610-Q614 WeakPolarHBondContact O-CG 3.41Å; I610-Q614 PolarHBondContact O-N 3.3Å; V611-Q614 PolarHBondContact O-N 3.41Å; K612-Q614 PolarHBondContact O-N 2.85Å; Q614-M616 VanDerWaalsContact C-N 3.3Å; Q614-M616 PolarHBondContact O-N 3.47Å; Q614-D617 PolarHBondContact O-N 2.83Å; Q614-F618 WeakPolarHBondContact O-CD2 3.14Å; Q614-F618 PolarHBondContact O-N 3.44Å
615	S	65.5	Low	62	Low	3 Å²	3	28.4 Å²	28.4	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-40.7	173.2	-169.6	0	0	0	0	111.3	V611 K612 F618 Q619	V611-S615 WeakPolarHBondContact O-CB 3.36Å; V611-S615 PolarHBondContact O-N 2.96Å; K612-S615 WeakPolarHBondContact O-CB 3.38Å; K612-S615 PolarHBondContact O-N 3.14Å; S615-F618 PolarHBondContact O-N 2.88Å; S615-Q619 WeakPolarHBondContact O-CG 3.49Å; S615-Q619 PolarHBondContact O-N 3.31Å
616	M	63.3	Low	62.6	Low	3 Å²	3	25.7 Å²	25.7	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-43	176.7	-169	156.6	57.1	0	0	111.6	I598 I599 K612 C613 Q614 F618 Q619 I620 W653	I598-M616 HydrophobicContact CB-CE 4.23Å; I598-M616 HydrophobicContact CG2-CE 3.74Å; I599-M616 HydrophobicContact CB-CE 4.35Å; I599-M616 HydrophobicContact CD1-CB 4.09Å; I599-M616 HydrophobicContact CD1-CE 4.27Å; I599-M616 HydrophobicContact CD1-CG 4.01Å; I599-M616 HydrophobicContact CG1-CB 4.24Å; I599-M616 HydrophobicContact CG1-CE 3.29Å; I599-M616 HydrophobicContact CG1-CG 4.08Å; I599-M616 HydrophobicContact CG1-SD 4.37Å; K612-M616 PolarHBondContact O-N 3.33Å; C613-M616 WeakPolarHBondContact O-CB 3.43Å; C613-M616 PolarHBondContact O-N 2.9Å; Q614-M616 VanDerWaalsContact C-N 3.3Å; Q614-M616 PolarHBondContact O-N 3.47Å; M616-F618 VanDerWaalsContact C-N 3.34Å; M616-F618 PolarHBondContact O-N 3.39Å; M616-Q619 WeakPolarHBondContact O-CB 3.16Å; M616-Q619 PolarHBondContact O-N 2.9Å; M616-Q619 VanDerWaalsContact O-N 3.15Å; M616-I620 HydrophobicContact CG-CD1 4.18Å; M616-I620 VanDerWaalsContact O-CG1 3.26Å; M616-I620 WeakPolarHBondContact O-CG1 3.27Å; M616-I620 PolarHBondContact O-N 3.48Å; M616-W653 HydrophobicContact CB-CE3 4.45Å; M616-W653 HydrophobicContact CB-CH2 4.15Å; M616-W653 HydrophobicContact CB-CZ3 3.7Å; M616-W653 HydrophobicContact CG-CZ3 4.26Å; M616-W653 HydrophobicContact SD-CE3 3.97Å; M616-W653 HydrophobicContact SD-CZ3 4.17Å
617	D	62.3	Low	62.7	Low	10 Å²	10	23.2 Å²	23.2	5%	0.053	12%	0.116	C	C	.	.	H	α-helix	trans	-58.7	-46.4	176.1	-165.5	32.5	0	0	0	111.4	T168 I169 I599 C613 Q614 Q619 I620 R621	T168-D617 WeakPolarHBondContact CA-OD2 3.47Å; T168-D617 WeakPolarHBondContact CB-OD2 3.42Å; I169-D617 WeakPolarHBondContact CD1-OD1 3.19Å; I169-D617 PolarHBondContact N-OD2 2.94Å; I599-D617 HydrophobicContact CD1-CB 3.89Å; C613-D617 PolarHBondContact O-N 2.91Å; Q614-D617 PolarHBondContact O-N 2.83Å; D617-Q619 VanDerWaalsContact C-N 3.33Å; D617-Q619 PolarHBondContact O-N 2.82Å; D617-I620 PolarHBondContact O-N 3.27Å; D617-R621 WeakPolarHBondContact O-CB 3.36Å; D617-R621 PolarHBondContact O-N 3.45Å
618	F	65.3	Low	62.8	Low	1 Å²	1	23.2 Å²	23.2	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-38.4	174.8	-80.2	-48.2	0	0	0	113	V166 T168 A179 F182 D183 L186 M240 L250 Q614 S615 M616 L622	V166-F618 HydrophobicContact CG1-CZ 4.26Å; T168-F618 HydrophobicContact CG2-CE1 4.46Å; T168-F618 HydrophobicContact CG2-CZ 4.15Å; A179-F618 HydrophobicContact CB-CE2 4.33Å; A179-F618 HydrophobicContact CB-CZ 4.47Å; F182-F618 HydrophobicContact CD1-CB 4.26Å; F182-F618 AromaticContact CD1-CD1 3.57Å; F182-F618 HydrophobicContact CD1-CD1 3.57Å; F182-F618 HydrophobicContact CD1-CD2 4.42Å; F182-F618 AromaticContact CD1-CE1 3.95Å; F182-F618 HydrophobicContact CD1-CE1 3.95Å; F182-F618 AromaticContact CD1-CG 3.84Å; F182-F618 HydrophobicContact CD1-CG 3.84Å; F182-F618 HydrophobicContact CE1-CB 3.8Å; F182-F618 AromaticContact CE1-CD1 3.75Å; F182-F618 HydrophobicContact CE1-CD1 3.75Å; F182-F618 AromaticContact CE1-CG 3.89Å; F182-F618 HydrophobicContact CE1-CG 3.89Å; D183-F618 HydrophobicContact CB-CE1 4.04Å; D183-F618 HydrophobicContact CB-CZ 4.5Å; L186-F618 HydrophobicContact CD1-CD1 3.84Å; L186-F618 HydrophobicContact CD1-CE1 4.42Å; M240-F618 VanDerWaalsContact CE-C 3.44Å; M240-F618 HydrophobicContact CE-CB 3.74Å; M240-F618 WeakPolarHBondContact CE-O 3.43Å; L250-F618 HydrophobicContact CD2-CD2 3.99Å; L250-F618 HydrophobicContact CD2-CE2 3.89Å; Q614-F618 WeakPolarHBondContact O-CD2 3.14Å; Q614-F618 PolarHBondContact O-N 3.44Å; S615-F618 PolarHBondContact O-N 2.88Å; M616-F618 VanDerWaalsContact C-N 3.34Å; M616-F618 PolarHBondContact O-N 3.39Å; F618-L622 WeakPolarHBondContact O-CB 3.28Å; F618-L622 PolarHBondContact O-N 3.25Å
619	Q	66.3	Low	63	Low	17 Å²	17	20.7 Å²	20.7	8%	0.079	10%	0.101	C	C	.	.	H	α-helix	trans	-66.9	-44.1	175.7	-77.6	-175.9	-29.2	0	0	112.3	M240 S615 M616 D617 R621 L622 F623	M240-Q619 HydrophobicContact CE-CB 4.4Å; M240-Q619 HydrophobicContact CE-CG 3.86Å; M240-Q619 HydrophobicContact CG-CG 4.21Å; M240-Q619 HydrophobicContact SD-CG 3.43Å; M240-Q619 WeakPolarHBondContact SD-CG 3.47Å; S615-Q619 WeakPolarHBondContact O-CG 3.49Å; S615-Q619 PolarHBondContact O-N 3.31Å; M616-Q619 WeakPolarHBondContact O-CB 3.16Å; M616-Q619 PolarHBondContact O-N 2.9Å; M616-Q619 VanDerWaalsContact O-N 3.15Å; D617-Q619 VanDerWaalsContact C-N 3.33Å; D617-Q619 PolarHBondContact O-N 2.82Å; Q619-R621 VanDerWaalsContact C-N 3.31Å; Q619-R621 PolarHBondContact O-N 3.12Å; Q619-L622 PolarHBondContact O-N 3.49Å; Q619-F623 VanDerWaalsContact O-CB 3.3Å; Q619-F623 WeakPolarHBondContact O-CB 3.06Å; Q619-F623 PolarHBondContact O-N 2.9Å
620	I	61.2	Low	62.7	Low	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-57.6	-49	176.5	-69.5	167.7	0	0	0	109.3	L592 A595 H596 I599 M616 D617 L622 F623 E624 W646	L592-I620 HydrophobicContact CD2-CG2 3.49Å; L592-I620 VanDerWaalsContact CD2-CG2 3.49Å; A595-I620 HydrophobicContact CB-CD1 3.51Å; A595-I620 HydrophobicContact CB-CG1 3.91Å; H596-I620 VanDerWaalsContact NE2-CG2 3.34Å; H596-I620 WeakPolarHBondContact NE2-CG2 3.46Å; I599-I620 HydrophobicContact CD1-CD1 3.39Å; I599-I620 HydrophobicContact CG1-CD1 4.36Å; M616-I620 HydrophobicContact CG-CD1 4.18Å; M616-I620 VanDerWaalsContact O-CG1 3.26Å; M616-I620 WeakPolarHBondContact O-CG1 3.27Å; M616-I620 PolarHBondContact O-N 3.48Å; D617-I620 PolarHBondContact O-N 3.27Å; I620-L622 PolarHBondContact O-N 3.25Å; I620-F623 WeakPolarHBondContact O-CB 3.19Å; I620-F623 PolarHBondContact O-N 2.9Å; I620-F623 VanDerWaalsContact O-N 3.17Å; I620-E624 WeakPolarHBondContact O-CG 3.5Å; I620-E624 PolarHBondContact O-N 2.76Å; I620-W646 HydrophobicContact CB-CZ2 4.43Å; I620-W646 HydrophobicContact CG1-CH2 4.18Å; I620-W646 HydrophobicContact CG1-CZ2 3.72Å
621	R	63.1	Low	62.2	Low	37 Å²	37	25.1 Å²	25.1	14%	0.14	13%	0.125	C	C	.	.	H	α-helix	trans	-66.8	-37.7	-178.8	-165.6	168	-178.1	-170.1	-2.1	113.5	Q167 D183 L186 D617 Q619 F623 L625	Q167-R621 VanDerWaalsContact CB-NH1 3.33Å; Q167-R621 PolarHBondContact O-NH1 3.38Å; Q167-R621 VanDerWaalsContact O-NH1 3.14Å; D183-R621 IonicContact OD1-CZ 3.87Å; D183-R621 IonicContact OD1-NH1 3.87Å; D183-R621 PolarHBondContact OD1-NH1 2.88Å; L186-R621 HydrophobicContact CD1-CB 4.18Å; L186-R621 HydrophobicContact CD1-CG 4.08Å; D617-R621 WeakPolarHBondContact O-CB 3.36Å; D617-R621 PolarHBondContact O-N 3.45Å; Q619-R621 VanDerWaalsContact C-N 3.31Å; Q619-R621 PolarHBondContact O-N 3.12Å; R621-F623 VanDerWaalsContact C-N 3.32Å; R621-L625 VanDerWaalsContact O-CG 3.3Å; R621-L625 WeakPolarHBondContact O-CG 3.46Å; R621-L625 PolarHBondContact O-N 3.47Å; R621-L625 VanDerWaalsContact O-N 3.16Å
622	L	65.5	Low	61.1	Low	5 Å²	5	27.4 Å²	27.4	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-41.8	172.5	179.8	58.3	0	0	0	111	F182 L186 A236 M240 F618 Q619 I620 L625 Q626	F182-L622 HydrophobicContact CZ-CD2 4.45Å; L186-L622 HydrophobicContact CD2-CB 4.2Å; L186-L622 HydrophobicContact CD2-CD1 3.98Å; A236-L622 HydrophobicContact CB-CD1 3.73Å; M240-L622 HydrophobicContact CB-CD2 3.97Å; M240-L622 HydrophobicContact CE-CB 4.41Å; M240-L622 HydrophobicContact CE-CD2 4.09Å; M240-L622 HydrophobicContact CG-CD2 4.18Å; F618-L622 WeakPolarHBondContact O-CB 3.28Å; F618-L622 PolarHBondContact O-N 3.25Å; Q619-L622 PolarHBondContact O-N 3.49Å; I620-L622 PolarHBondContact O-N 3.25Å; L622-L625 PolarHBondContact O-N 3.37Å; L622-Q626 HydrophobicContact CD1-CG 4.42Å; L622-Q626 WeakPolarHBondContact O-CG 3.2Å; L622-Q626 PolarHBondContact O-N 2.96Å
623	F	64.9	Low	60.1	Low	1 Å²	1	30.2 Å²	30.2	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-64	-42.5	177.3	179.9	-104.6	0	0	0	112.2	L592 Q619 I620 R621 L625 Q626 L627 Y642 M643 W646	L592-F623 HydrophobicContact CD2-CD1 3.89Å; L592-F623 HydrophobicContact CD2-CE1 4.46Å; Q619-F623 VanDerWaalsContact O-CB 3.3Å; Q619-F623 WeakPolarHBondContact O-CB 3.06Å; Q619-F623 PolarHBondContact O-N 2.9Å; I620-F623 WeakPolarHBondContact O-CB 3.19Å; I620-F623 PolarHBondContact O-N 2.9Å; I620-F623 VanDerWaalsContact O-N 3.17Å; R621-F623 VanDerWaalsContact C-N 3.32Å; F623-L625 PolarHBondContact O-N 2.92Å; F623-Q626 PolarHBondContact O-N 2.89Å; F623-L627 HydrophobicContact CD1-CD1 3.78Å; F623-L627 HydrophobicContact CD1-CG 4.3Å; F623-L627 HydrophobicContact CE1-CD1 3.31Å; F623-L627 HydrophobicContact CE1-CD2 4.47Å; F623-L627 HydrophobicContact CE1-CG 3.95Å; F623-L627 HydrophobicContact CE2-CD2 4.42Å; F623-L627 HydrophobicContact CE2-CG 4.32Å; F623-L627 HydrophobicContact CZ-CD1 3.72Å; F623-L627 HydrophobicContact CZ-CD2 4.02Å; F623-L627 HydrophobicContact CZ-CG 3.92Å; F623-L627 WeakPolarHBondContact O-CB 3.4Å; F623-L627 WeakPolarHBondContact O-CG 3.48Å; F623-L627 PolarHBondContact O-N 3.14Å; F623-Y642 HydrophobicContact CD2-CD1 4.16Å; F623-Y642 AromaticContact CD2-CE1 3.47Å; F623-Y642 HydrophobicContact CD2-CE1 3.47Å; F623-Y642 VanDerWaalsContact CD2-CE1 3.47Å; F623-Y642 AromaticContact CE2-CD1 3.83Å; F623-Y642 HydrophobicContact CE2-CD1 3.83Å; F623-Y642 AromaticContact CE2-CE1 3.63Å; F623-Y642 HydrophobicContact CE2-CE1 3.63Å; F623-M643 HydrophobicContact CE2-CG 4.35Å; F623-M643 HydrophobicContact CZ-CG 3.99Å; F623-W646 HydrophobicContact CD1-CD2 4.46Å; F623-W646 HydrophobicContact CD1-CZ2 4.37Å; F623-W646 HydrophobicContact CD2-CD2 4.46Å; F623-W646 HydrophobicContact CD2-CG 4.16Å; F623-W646 HydrophobicContact CE2-CB 4.42Å; F623-W646 HydrophobicContact CE2-CG 4.39Å; F623-W646 HydrophobicContact CG-CD2 4.39Å; F623-W646 HydrophobicContact CG-CG 4.48Å
624	E	62.2	Low	59.2	Low	64 Å²	64	35.1 Å²	35.1	30%	0.299	19%	0.189	S	C	.	.	H	α-helix	trans	-54.7	-49.6	171.6	-71.9	178.6	163.5	0	0	111.6	L592 H596 I620 Q626 L627 D628	L592-E624 HydrophobicContact CD1-CG 3.61Å; L592-E624 HydrophobicContact CD2-CG 3.38Å; L592-E624 HydrophobicContact CG-CG 4.12Å; H596-E624 IonicContact CE1-OE1 2.79Å; I620-E624 WeakPolarHBondContact O-CG 3.5Å; I620-E624 PolarHBondContact O-N 2.76Å; E624-Q626 VanDerWaalsContact C-N 3.31Å; E624-Q626 PolarHBondContact O-N 3.21Å; E624-L627 WeakPolarHBondContact O-CB 3.49Å; E624-L627 PolarHBondContact O-N 3.48Å; E624-D628 PolarHBondContact O-N 3.45Å
625	L	63.4	Low	58.2	Low	11 Å²	11	36.8 Å²	36.8	6%	0.058	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-32	-178.7	-68.8	171.3	0	0	0	113.2	L186 I189 D190 N193 R621 L622 F623 Q629	L186-L625 HydrophobicContact CB-CD1 4Å; L186-L625 HydrophobicContact CD2-CD1 4Å; L186-L625 WeakPolarHBondContact O-CD1 3.38Å; I189-L625 HydrophobicContact CB-CD1 4.15Å; I189-L625 HydrophobicContact CG2-CB 3.91Å; I189-L625 HydrophobicContact CG2-CD1 4.08Å; I189-L625 HydrophobicContact CG2-CD2 4.41Å; I189-L625 HydrophobicContact CG2-CG 4.37Å; D190-L625 HydrophobicContact CB-CD2 3.67Å; N193-L625 PolarHBondContact ND2-O 2.79Å; R621-L625 VanDerWaalsContact O-CG 3.3Å; R621-L625 WeakPolarHBondContact O-CG 3.46Å; R621-L625 PolarHBondContact O-N 3.47Å; R621-L625 VanDerWaalsContact O-N 3.16Å; L622-L625 PolarHBondContact O-N 3.37Å; F623-L625 PolarHBondContact O-N 2.92Å; L625-Q629 PolarHBondContact O-N 2.67Å
626	Q	64.9	Low	57.4	Low	14 Å²	14	38.9 Å²	38.9	7%	0.065	21%	0.21	C	C	.	.	H	α-helix	trans	-73.3	-39	173.4	-74.3	170.2	-26.8	0	0	111.9	I233 D237 L622 F623 E624 D628 Q629 L630 Y642	I233-Q626 HydrophobicContact CG2-CG 3.98Å; D237-Q626 PolarHBondContact OD1-NE2 3.08Å; D237-Q626 PolarHBondContact OD2-NE2 2.9Å; L622-Q626 HydrophobicContact CD1-CG 4.42Å; L622-Q626 WeakPolarHBondContact O-CG 3.2Å; L622-Q626 PolarHBondContact O-N 2.96Å; F623-Q626 PolarHBondContact O-N 2.89Å; E624-Q626 VanDerWaalsContact C-N 3.31Å; E624-Q626 PolarHBondContact O-N 3.21Å; Q626-D628 VanDerWaalsContact C-N 3.31Å; Q626-D628 PolarHBondContact O-N 3.08Å; Q626-Q629 WeakPolarHBondContact O-CB 3.32Å; Q626-Q629 PolarHBondContact O-N 3.23Å; Q626-L630 WeakPolarHBondContact O-CG 3.35Å; Q626-L630 PolarHBondContact O-N 2.85Å; Q626-Y642 PolarHBondContact OE1-OH 3.44Å
627	L	59.5	Low	56.8	Low	20 Å²	20	40.9 Å²	40.9	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-41.9	172.6	-75.9	176.3	0	0	0	111.5	C588 F623 E624 Q629 L630 N631 L639	C588-L627 HydrophobicContact CB-CD1 3.61Å; C588-L627 WeakPolarHBondContact SG-CD1 3.31Å; F623-L627 HydrophobicContact CD1-CD1 3.78Å; F623-L627 HydrophobicContact CD1-CG 4.3Å; F623-L627 HydrophobicContact CE1-CD1 3.31Å; F623-L627 HydrophobicContact CE1-CD2 4.47Å; F623-L627 HydrophobicContact CE1-CG 3.95Å; F623-L627 HydrophobicContact CE2-CD2 4.42Å; F623-L627 HydrophobicContact CE2-CG 4.32Å; F623-L627 HydrophobicContact CZ-CD1 3.72Å; F623-L627 HydrophobicContact CZ-CD2 4.02Å; F623-L627 HydrophobicContact CZ-CG 3.92Å; F623-L627 WeakPolarHBondContact O-CB 3.4Å; F623-L627 WeakPolarHBondContact O-CG 3.48Å; F623-L627 PolarHBondContact O-N 3.14Å; E624-L627 WeakPolarHBondContact O-CB 3.49Å; E624-L627 PolarHBondContact O-N 3.48Å; L627-Q629 VanDerWaalsContact C-N 3.35Å; L627-L630 PolarHBondContact O-N 3.16Å; L627-N631 PolarHBondContact O-N 3.04Å; L627-L639 HydrophobicContact CD2-CD1 3.73Å
628	D	58.3	Low	56.4	Low	93 Å²	93	45.7 Å²	45.7	50%	0.497	25%	0.25	S	C	.	.	H	α-helix	trans	-61.2	-42.9	173.2	-79.5	-15.3	0	0	0	111.5	E624 Q626 L630 N631	E624-D628 PolarHBondContact O-N 3.45Å; Q626-D628 VanDerWaalsContact C-N 3.31Å; Q626-D628 PolarHBondContact O-N 3.08Å; D628-L630 VanDerWaalsContact C-N 3.34Å; D628-L630 PolarHBondContact O-N 3.24Å; D628-N631 PolarHBondContact O-N 3.2Å; D628-N631 VanDerWaalsContact O-N 3.09Å
629	Q	61.3	Low	55.9	Low	39 Å²	39	45.9 Å²	45.9	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-43.7	174.7	177.7	-176.8	48.2	0	0	112	Q229 N230 I233 L625 Q626 L627 N631	Q229-Q629 HydrophobicContact CG-CG 4.33Å; N230-Q629 PolarHBondContact OD1-NE2 3.18Å; I233-Q629 HydrophobicContact CD1-CB 3.98Å; I233-Q629 HydrophobicContact CD1-CG 4.11Å; L625-Q629 PolarHBondContact O-N 2.67Å; Q626-Q629 WeakPolarHBondContact O-CB 3.32Å; Q626-Q629 PolarHBondContact O-N 3.23Å; L627-Q629 VanDerWaalsContact C-N 3.35Å; Q629-N631 PolarHBondContact O-N 2.65Å; Q629-N631 VanDerWaalsContact O-N 3.1Å
630	L	56.3	Low	55.5	Low	79 Å²	79	45.1 Å²	45.1	41%	0.414	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-3.7	179.1	-69.2	170.8	0	0	0	112.4	Q626 L627 D628 G632 L639	Q626-L630 WeakPolarHBondContact O-CG 3.35Å; Q626-L630 PolarHBondContact O-N 2.85Å; L627-L630 PolarHBondContact O-N 3.16Å; D628-L630 VanDerWaalsContact C-N 3.34Å; D628-L630 PolarHBondContact O-N 3.24Å; L630-G632 PolarHBondContact O-N 3.3Å; L630-L639 HydrophobicContact CD1-CD1 3.53Å; L630-L639 HydrophobicContact CD1-CG 4.46Å
631	N	49.8	Very low	55.4	Low	81 Å²	81	47.6 Å²	47.6	43%	0.433	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	37.7	173.3	-92.4	-29.9	0	0	0	112	L627 D628 Q629 Q633	L627-N631 PolarHBondContact O-N 3.04Å; D628-N631 PolarHBondContact O-N 3.2Å; D628-N631 VanDerWaalsContact O-N 3.09Å; Q629-N631 PolarHBondContact O-N 2.65Å; Q629-N631 VanDerWaalsContact O-N 3.1Å; N631-Q633 WeakPolarHBondContact O-CA 3.45Å; N631-Q633 WeakPolarHBondContact O-CB 3.41Å; N631-Q633 WeakPolarHBondContact O-CG 3.28Å; N631-Q633 PolarHBondContact O-N 3Å
632	G	41	Very low	55.3	Low	50 Å²	50	49.9 Å²	49.9	52%	0.515	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.5	9.2	165.3	0	0	0	0	0	120.5	L630	L630-G632 PolarHBondContact O-N 3.3Å
633	Q	42.7	Very low	55.1	Low	104 Å²	104	49.6 Å²	49.6	49%	0.486	27%	0.268	S	S	.	.			trans	-118.3	-17.5	-160.5	-78	-173.2	10.2	0	0	113.7	N631	N631-Q633 WeakPolarHBondContact O-CA 3.45Å; N631-Q633 WeakPolarHBondContact O-CB 3.41Å; N631-Q633 WeakPolarHBondContact O-CG 3.28Å; N631-Q633 PolarHBondContact O-N 3Å
634	N	42.5	Very low	55.1	Low	104 Å²	104	50.1 Å²	50.1	56%	0.556	27%	0.271	S	S	*	.			trans	-126.5	110.1	178.1	-66.3	-25.9	0	0	0	109.4	S636	N634-S636 PolarHBondContact O-N 3.22Å
635	W	43.2	Very low	55.2	Low	35 Å²	35	50.4 Å²	50.4	13%	0.133	28%	0.279	C	S	.	.			trans	-60.6	94.3	156.9	-62.4	103	0	0	0	107.2	E579 H583 L584 L587 M640 M643 L682	E579-W635 PolarHBondContact O-NE1 3.43Å; H583-W635 HydrophobicContact CB-CH2 4.44Å; H583-W635 HydrophobicContact CB-CZ2 3.95Å; L584-W635 HydrophobicContact CB-CH2 3.82Å; L584-W635 HydrophobicContact CB-CZ2 3.6Å; L584-W635 HydrophobicContact CB-CZ3 4.28Å; L584-W635 HydrophobicContact CD1-CD2 4.41Å; L584-W635 HydrophobicContact CD1-CE3 3.78Å; L584-W635 HydrophobicContact CD1-CH2 3.6Å; L584-W635 HydrophobicContact CD1-CZ2 4.21Å; L584-W635 HydrophobicContact CD1-CZ3 3.29Å; L584-W635 HydrophobicContact CG-CH2 4.29Å; L584-W635 HydrophobicContact CG-CZ2 4.47Å; L584-W635 HydrophobicContact CG-CZ3 4.31Å; L587-W635 HydrophobicContact CD2-CH2 3.91Å; W635-M640 HydrophobicContact CD2-CG 4.45Å; W635-M640 HydrophobicContact CD2-SD 4.35Å; W635-M640 HydrophobicContact CE3-CE 4.19Å; W635-M640 HydrophobicContact CE3-CG 3.49Å; W635-M640 VanDerWaalsContact CE3-CG 3.49Å; W635-M640 HydrophobicContact CE3-SD 3.16Å; W635-M640 HydrophobicContact CH2-CE 4.43Å; W635-M640 HydrophobicContact CH2-SD 4.01Å; W635-M640 HydrophobicContact CZ3-CE 3.86Å; W635-M640 HydrophobicContact CZ3-CG 3.98Å; W635-M640 HydrophobicContact CZ3-SD 2.95Å; W635-M640 WeakPolarHBondContact CZ3-SD 3.28Å; W635-M643 HydrophobicContact CZ3-SD 3.94Å; W635-L682 HydrophobicContact CH2-CD2 3.5Å; W635-L682 VanDerWaalsContact CH2-CD2 3.5Å; W635-L682 HydrophobicContact CZ2-CD2 3.63Å; W635-L682 HydrophobicContact CZ3-CD2 4.23Å
636	S	49.2	Very low	55.3	Low	48 Å²	48	50.4 Å²	50.4	34%	0.336	28%	0.278	S	S	.	.			trans	-81	147.9	159.4	62.8	0	0	0	0	107.5	N634 N638 L639 M640	N634-S636 PolarHBondContact O-N 3.22Å; S636-N638 PolarHBondContact O-N 2.83Å; S636-N638 VanDerWaalsContact O-N 3.12Å; S636-L639 PolarHBondContact O-N 2.94Å; S636-L639 WeakPolarHBondContact OG-CB 3.37Å; S636-L639 PolarHBondContact OG-N 3.42Å; S636-M640 PolarHBondContact O-N 3.06Å; S636-M640 VanDerWaalsContact O-N 3.11Å
637	S	49.4	Very low	55.2	Low	44 Å²	44	49.7 Å²	49.7	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-49.7	-37.8	168.8	57.3	0	0	0	0	110.4	M640 D641	S637-M640 PolarHBondContact O-N 2.64Å; S637-D641 VanDerWaalsContact O-CB 3.3Å; S637-D641 WeakPolarHBondContact O-CB 3.46Å; S637-D641 PolarHBondContact O-N 3.27Å; S637-D641 VanDerWaalsContact O-OD2 3.11Å
638	N	53.4	Low	55.5	Low	112 Å²	112	50.2 Å²	50.2	60%	0.599	28%	0.28	S	S	*	.	H	α-helix	trans	-63.7	-41.2	178.4	-59.6	-2.9	0	0	0	113.1	S636 Y642	S636-N638 PolarHBondContact O-N 2.83Å; S636-N638 VanDerWaalsContact O-N 3.12Å; N638-Y642 WeakPolarHBondContact O-CB 3.11Å; N638-Y642 PolarHBondContact O-N 3.37Å
639	L	55.1	Low	55.8	Low	5 Å²	5	49 Å²	49	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-42.6	175.2	170.8	64.2	0	0	0	110.4	L584 L627 L630 S636 Y642 M643	L584-L639 HydrophobicContact CD1-CD2 4Å; L584-L639 HydrophobicContact CD2-CD2 3.72Å; L627-L639 HydrophobicContact CD2-CD1 3.73Å; L630-L639 HydrophobicContact CD1-CD1 3.53Å; L630-L639 HydrophobicContact CD1-CG 4.46Å; S636-L639 PolarHBondContact O-N 2.94Å; S636-L639 WeakPolarHBondContact OG-CB 3.37Å; S636-L639 PolarHBondContact OG-N 3.42Å; L639-Y642 WeakPolarHBondContact O-CB 3.14Å; L639-Y642 PolarHBondContact O-N 3.08Å; L639-M643 HydrophobicContact CD1-CG 4.23Å; L639-M643 HydrophobicContact CD1-SD 4.46Å; L639-M643 HydrophobicContact CG-SD 4.42Å; L639-M643 VanDerWaalsContact O-CG 3.29Å; L639-M643 WeakPolarHBondContact O-CG 3.25Å; L639-M643 PolarHBondContact O-N 3.46Å
640	M	57.6	Low	55.8	Low	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68	-43.1	177.6	-79.6	-61.6	-98	0	0	113.3	W635 S636 S637 Y642 M643 M644 V679 L682 L683	W635-M640 HydrophobicContact CD2-CG 4.45Å; W635-M640 HydrophobicContact CD2-SD 4.35Å; W635-M640 HydrophobicContact CE3-CE 4.19Å; W635-M640 HydrophobicContact CE3-CG 3.49Å; W635-M640 VanDerWaalsContact CE3-CG 3.49Å; W635-M640 HydrophobicContact CE3-SD 3.16Å; W635-M640 HydrophobicContact CH2-CE 4.43Å; W635-M640 HydrophobicContact CH2-SD 4.01Å; W635-M640 HydrophobicContact CZ3-CE 3.86Å; W635-M640 HydrophobicContact CZ3-CG 3.98Å; W635-M640 HydrophobicContact CZ3-SD 2.95Å; W635-M640 WeakPolarHBondContact CZ3-SD 3.28Å; S636-M640 PolarHBondContact O-N 3.06Å; S636-M640 VanDerWaalsContact O-N 3.11Å; S637-M640 PolarHBondContact O-N 2.64Å; M640-Y642 PolarHBondContact O-N 3.39Å; M640-M643 PolarHBondContact O-N 3.33Å; M640-M643 HydrophobicContact SD-SD 4.29Å; M640-M644 WeakPolarHBondContact O-CB 3.43Å; M640-M644 WeakPolarHBondContact O-CG 3.45Å; M640-M644 PolarHBondContact O-N 3.14Å; M640-V679 HydrophobicContact CE-CG1 3.92Å; M640-V679 WeakPolarHBondContact CE-O 3.42Å; M640-V679 HydrophobicContact SD-CG1 4.39Å; M640-L682 HydrophobicContact CE-CB 3.82Å; M640-L682 HydrophobicContact CE-CD2 3.85Å; M640-L682 HydrophobicContact CE-CG 3.68Å; M640-L683 HydrophobicContact CB-CB 4.4Å; M640-L683 HydrophobicContact CB-CD1 3.31Å; M640-L683 HydrophobicContact CB-CG 4.28Å; M640-L683 HydrophobicContact CE-CB 3.82Å; M640-L683 VanDerWaalsContact CE-N 3.3Å; M640-L683 HydrophobicContact CG-CD1 4.14Å
641	D	59.2	Low	56.1	Low	53 Å²	53	43.6 Å²	43.6	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-60	-40.9	174.1	-70.8	-33.3	0	0	0	109.3	S637 M644 C645 K687	S637-D641 VanDerWaalsContact O-CB 3.3Å; S637-D641 WeakPolarHBondContact O-CB 3.46Å; S637-D641 PolarHBondContact O-N 3.27Å; S637-D641 VanDerWaalsContact O-OD2 3.11Å; D641-M644 PolarHBondContact O-N 3.37Å; D641-C645 PolarHBondContact O-N 2.91Å; D641-C645 PolarHBondContact O-SG 3.22Å; D641-K687 VanDerWaalsContact OD1-CE 3.26Å; D641-K687 WeakPolarHBondContact OD1-CE 3.44Å; D641-K687 IonicContact OD1-NZ 2.76Å; D641-K687 PolarHBondContact OD1-NZ 2.86Å; D641-K687 IonicContact OD2-NZ 3.77Å
642	Y	61.9	Low	56.8	Low	85 Å²	85	46 Å²	46	33%	0.333	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-47.6	175.1	-175.1	-113.9	0	0	0	113.2	F623 Q626 N638 L639 M640 M644 C645 W646	F623-Y642 HydrophobicContact CD2-CD1 4.16Å; F623-Y642 AromaticContact CD2-CE1 3.47Å; F623-Y642 HydrophobicContact CD2-CE1 3.47Å; F623-Y642 VanDerWaalsContact CD2-CE1 3.47Å; F623-Y642 AromaticContact CE2-CD1 3.83Å; F623-Y642 HydrophobicContact CE2-CD1 3.83Å; F623-Y642 AromaticContact CE2-CE1 3.63Å; F623-Y642 HydrophobicContact CE2-CE1 3.63Å; Q626-Y642 PolarHBondContact OE1-OH 3.44Å; N638-Y642 WeakPolarHBondContact O-CB 3.11Å; N638-Y642 PolarHBondContact O-N 3.37Å; L639-Y642 WeakPolarHBondContact O-CB 3.14Å; L639-Y642 PolarHBondContact O-N 3.08Å; M640-Y642 PolarHBondContact O-N 3.39Å; Y642-M644 VanDerWaalsContact C-N 3.27Å; Y642-M644 PolarHBondContact O-N 3.44Å; Y642-C645 WeakPolarHBondContact O-CB 3.43Å; Y642-C645 PolarHBondContact O-N 3.42Å; Y642-W646 PolarHBondContact O-N 2.89Å
643	M	62.3	Low	57.6	Low	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-42	173.7	-71	-177.2	71.8	0	0	111.4	L584 L587 C588 L591 F623 W635 L639 M640 W646 I647	L584-M643 HydrophobicContact CD1-CE 4.15Å; L584-M643 HydrophobicContact CD1-SD 3.47Å; L584-M643 WeakPolarHBondContact CD1-SD 3.48Å; L587-M643 HydrophobicContact CD2-CE 3.93Å; L587-M643 HydrophobicContact CG-CE 4.41Å; C588-M643 WeakPolarHBondContact SG-CE 3.26Å; L591-M643 HydrophobicContact CD1-CE 3.71Å; F623-M643 HydrophobicContact CE2-CG 4.35Å; F623-M643 HydrophobicContact CZ-CG 3.99Å; W635-M643 HydrophobicContact CZ3-SD 3.94Å; L639-M643 HydrophobicContact CD1-CG 4.23Å; L639-M643 HydrophobicContact CD1-SD 4.46Å; L639-M643 HydrophobicContact CG-SD 4.42Å; L639-M643 VanDerWaalsContact O-CG 3.29Å; L639-M643 WeakPolarHBondContact O-CG 3.25Å; L639-M643 PolarHBondContact O-N 3.46Å; M640-M643 PolarHBondContact O-N 3.33Å; M640-M643 HydrophobicContact SD-SD 4.29Å; M643-W646 PolarHBondContact O-N 3.49Å; M643-I647 WeakPolarHBondContact O-CB 3.5Å; M643-I647 WeakPolarHBondContact O-CD1 3.48Å; M643-I647 WeakPolarHBondContact O-CG1 3.44Å; M643-I647 PolarHBondContact O-N 2.71Å
644	M	64.3	Low	58.3	Low	11 Å²	11	41.6 Å²	41.6	5%	0.054	22%	0.22	C	C	.	.	H	α-helix	trans	-68.6	-35.7	177.4	-76.8	-56.2	-51.3	0	0	113	M640 D641 Y642 I647 S648 K676 V679 Q680 L683	M640-M644 WeakPolarHBondContact O-CB 3.43Å; M640-M644 WeakPolarHBondContact O-CG 3.45Å; M640-M644 PolarHBondContact O-N 3.14Å; D641-M644 PolarHBondContact O-N 3.37Å; Y642-M644 VanDerWaalsContact C-N 3.27Å; Y642-M644 PolarHBondContact O-N 3.44Å; M644-I647 HydrophobicContact SD-CD1 4.1Å; M644-S648 VanDerWaalsContact O-CB 3.27Å; M644-S648 WeakPolarHBondContact O-CB 3.34Å; M644-S648 PolarHBondContact O-N 3.34Å; M644-S648 PolarHBondContact O-OG 3.49Å; M644-K676 HydrophobicContact CE-CD 4.48Å; M644-K676 HydrophobicContact CE-CG 3.74Å; M644-V679 HydrophobicContact CG-CG1 4.29Å; M644-V679 HydrophobicContact SD-CB 3.73Å; M644-V679 HydrophobicContact SD-CG1 3.58Å; M644-V679 VanDerWaalsContact SD-CG1 3.58Å; M644-Q680 HydrophobicContact CE-CB 3.97Å; M644-Q680 VanDerWaalsContact CE-OE1 3.24Å; M644-Q680 HydrophobicContact SD-CB 4.22Å; M644-L683 HydrophobicContact CB-CD2 4.3Å; M644-L683 HydrophobicContact CG-CD2 3.62Å
645	C	64.5	Low	58.9	Low	71 Å²	71	42.3 Å²	42.3	48%	0.48	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-52.4	170	-71.1	0	0	0	0	109.9	D641 Y642 I647 S648 D649	D641-C645 PolarHBondContact O-N 2.91Å; D641-C645 PolarHBondContact O-SG 3.22Å; Y642-C645 WeakPolarHBondContact O-CB 3.43Å; Y642-C645 PolarHBondContact O-N 3.42Å; C645-I647 PolarHBondContact O-N 3.21Å; C645-S648 CarbonylContact O-C 3.28Å; C645-S648 WeakPolarHBondContact O-CA 3.38Å; C645-S648 WeakPolarHBondContact O-CB 3.44Å; C645-S648 PolarHBondContact O-N 3.11Å; C645-D649 VanDerWaalsContact O-CG 3.25Å; C645-D649 PolarHBondContact O-N 3.24Å
646	W	64	Low	59.3	Low	10 Å²	10	46.5 Å²	46.5	4%	0.038	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-44.6	179.9	-170.3	82.7	0	0	0	113.3	L591 A595 I620 F623 Y642 M643 S648 D649 I650	L591-W646 HydrophobicContact CB-CZ3 4.05Å; L591-W646 HydrophobicContact CD2-CE3 3.91Å; L591-W646 HydrophobicContact CD2-CZ3 3.46Å; L591-W646 VanDerWaalsContact CD2-CZ3 3.46Å; L591-W646 HydrophobicContact CG-CZ3 4.22Å; A595-W646 HydrophobicContact CB-CH2 3.73Å; A595-W646 HydrophobicContact CB-CZ2 4.49Å; I620-W646 HydrophobicContact CB-CZ2 4.43Å; I620-W646 HydrophobicContact CG1-CH2 4.18Å; I620-W646 HydrophobicContact CG1-CZ2 3.72Å; F623-W646 HydrophobicContact CD1-CD2 4.46Å; F623-W646 HydrophobicContact CD1-CZ2 4.37Å; F623-W646 HydrophobicContact CD2-CD2 4.46Å; F623-W646 HydrophobicContact CD2-CG 4.16Å; F623-W646 HydrophobicContact CE2-CB 4.42Å; F623-W646 HydrophobicContact CE2-CG 4.39Å; F623-W646 HydrophobicContact CG-CD2 4.39Å; F623-W646 HydrophobicContact CG-CG 4.48Å; Y642-W646 PolarHBondContact O-N 2.89Å; M643-W646 PolarHBondContact O-N 3.49Å; W646-S648 VanDerWaalsContact C-N 3.26Å; W646-S648 PolarHBondContact O-N 3.39Å; W646-D649 PolarHBondContact O-N 3.05Å; W646-I650 HydrophobicContact CD2-CD1 3.76Å; W646-I650 HydrophobicContact CD2-CG1 4.47Å; W646-I650 HydrophobicContact CE3-CD1 3.53Å; W646-I650 HydrophobicContact CH2-CD1 3.21Å; W646-I650 HydrophobicContact CZ2-CD1 3.42Å; W646-I650 VanDerWaalsContact CZ2-CD1 3.42Å; W646-I650 HydrophobicContact CZ3-CD1 3.24Å; W646-I650 WeakPolarHBondContact O-CG1 3.37Å; W646-I650 PolarHBondContact O-N 2.94Å
647	I	63.6	Low	59.5	Low	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-39	173.1	-67.3	162.7	0	0	0	110.7	L591 M643 M644 C645 C651 F672 F675 K676 V679	L591-I647 HydrophobicContact CD1-CD1 4.01Å; L591-I647 HydrophobicContact CD1-CG1 4.11Å; L591-I647 HydrophobicContact CD2-CD1 4.19Å; L591-I647 HydrophobicContact CD2-CG1 3.55Å; L591-I647 HydrophobicContact CG-CG1 4.45Å; M643-I647 WeakPolarHBondContact O-CB 3.5Å; M643-I647 WeakPolarHBondContact O-CD1 3.48Å; M643-I647 WeakPolarHBondContact O-CG1 3.44Å; M643-I647 PolarHBondContact O-N 2.71Å; M644-I647 HydrophobicContact SD-CD1 4.1Å; C645-I647 PolarHBondContact O-N 3.21Å; I647-C651 WeakPolarHBondContact O-CB 3.49Å; I647-C651 PolarHBondContact O-N 2.76Å; I647-C651 PolarHBondContact O-SG 3.03Å; I647-C651 VanDerWaalsContact O-SG 3.33Å; I647-F672 HydrophobicContact CB-CE1 4.39Å; I647-F672 HydrophobicContact CG1-CZ 4.49Å; I647-F672 HydrophobicContact CG2-CD1 4.38Å; I647-F672 HydrophobicContact CG2-CE1 3.66Å; I647-F672 HydrophobicContact CG2-CZ 4.12Å; I647-F672 WeakPolarHBondContact O-CE1 3.46Å; I647-F675 HydrophobicContact CD1-CE1 4.33Å; I647-K676 HydrophobicContact CG2-CB 3.55Å; I647-K676 HydrophobicContact CG2-CD 3.88Å; I647-K676 HydrophobicContact CG2-CG 3.55Å; I647-V679 HydrophobicContact CD1-CB 3.94Å; I647-V679 HydrophobicContact CD1-CG1 3.93Å; I647-V679 HydrophobicContact CD1-CG2 3.8Å
648	S	65.3	Low	59.3	Low	30 Å²	30	49.1 Å²	49.1	21%	0.21	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-42.1	178.5	-61.3	0	0	0	0	111.6	M644 C645 W646 I650 C651 E652 K676	M644-S648 VanDerWaalsContact O-CB 3.27Å; M644-S648 WeakPolarHBondContact O-CB 3.34Å; M644-S648 PolarHBondContact O-N 3.34Å; M644-S648 PolarHBondContact O-OG 3.49Å; C645-S648 CarbonylContact O-C 3.28Å; C645-S648 WeakPolarHBondContact O-CA 3.38Å; C645-S648 WeakPolarHBondContact O-CB 3.44Å; C645-S648 PolarHBondContact O-N 3.11Å; W646-S648 VanDerWaalsContact C-N 3.26Å; W646-S648 PolarHBondContact O-N 3.39Å; S648-I650 PolarHBondContact O-N 2.8Å; S648-C651 CarbonylContact O-C 3.57Å; S648-C651 WeakPolarHBondContact O-CB 3.2Å; S648-C651 PolarHBondContact O-N 2.83Å; S648-C651 VanDerWaalsContact O-N 3.13Å; S648-E652 WeakPolarHBondContact O-CG 3.48Å; S648-E652 PolarHBondContact O-N 3.07Å; S648-K676 VanDerWaalsContact OG-CE 3.3Å; S648-K676 WeakPolarHBondContact OG-CE 3.44Å; S648-K676 PolarHBondContact OG-NZ 3.28Å
649	D	64.5	Low	58.7	Low	68 Å²	68	51.1 Å²	51.1	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-56.9	-50.7	174.4	-61.6	-17	0	0	0	109.6	C645 W646 C651 E652 W653	C645-D649 VanDerWaalsContact O-CG 3.25Å; C645-D649 PolarHBondContact O-N 3.24Å; W646-D649 PolarHBondContact O-N 3.05Å; D649-C651 VanDerWaalsContact C-N 3.32Å; D649-C651 PolarHBondContact O-N 3.29Å; D649-E652 WeakPolarHBondContact O-CB 3.48Å; D649-E652 PolarHBondContact O-N 3.2Å; D649-E652 VanDerWaalsContact O-N 3.08Å; D649-W653 PolarHBondContact O-N 3.46Å; D649-W653 VanDerWaalsContact O-N 3.15Å
650	I	62.8	Low	58.3	Low	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-39.5	176.2	-66.8	178.7	0	0	0	112.2	A595 I598 W646 S648 E652 W653 W669 F672	A595-I650 HydrophobicContact CB-CD1 4.18Å; I598-I650 HydrophobicContact CD1-CG2 4.37Å; W646-I650 HydrophobicContact CD2-CD1 3.76Å; W646-I650 HydrophobicContact CD2-CG1 4.47Å; W646-I650 HydrophobicContact CE3-CD1 3.53Å; W646-I650 HydrophobicContact CH2-CD1 3.21Å; W646-I650 HydrophobicContact CZ2-CD1 3.42Å; W646-I650 VanDerWaalsContact CZ2-CD1 3.42Å; W646-I650 HydrophobicContact CZ3-CD1 3.24Å; W646-I650 WeakPolarHBondContact O-CG1 3.37Å; W646-I650 PolarHBondContact O-N 2.94Å; S648-I650 PolarHBondContact O-N 2.8Å; I650-E652 VanDerWaalsContact C-N 3.34Å; I650-E652 PolarHBondContact O-N 3.49Å; I650-W653 WeakPolarHBondContact O-CB 3.45Å; I650-W653 PolarHBondContact O-N 2.87Å; I650-W669 HydrophobicContact CG2-CH2 4.39Å; I650-W669 HydrophobicContact CG2-CZ3 4.12Å; I650-W669 WeakPolarHBondContact O-CH2 3.46Å; I650-W669 VanDerWaalsContact O-CZ3 3.24Å; I650-W669 WeakPolarHBondContact O-CZ3 3.48Å; I650-F672 HydrophobicContact CB-CE1 3.82Å; I650-F672 HydrophobicContact CB-CZ 3.85Å; I650-F672 HydrophobicContact CD1-CZ 4.08Å; I650-F672 HydrophobicContact CG2-CD1 4.27Å; I650-F672 HydrophobicContact CG2-CE1 3.55Å; I650-F672 HydrophobicContact CG2-CE2 4.23Å; I650-F672 HydrophobicContact CG2-CZ 3.54Å
651	C	63	Low	57.6	Low	4 Å²	4	62.8 Å²	62.8	3%	0.027	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-37.1	175.1	-78.7	0	0	0	0	112.9	I647 S648 D649 W653 K654 F672 Y673	I647-C651 WeakPolarHBondContact O-CB 3.49Å; I647-C651 PolarHBondContact O-N 2.76Å; I647-C651 PolarHBondContact O-SG 3.03Å; I647-C651 VanDerWaalsContact O-SG 3.33Å; S648-C651 CarbonylContact O-C 3.57Å; S648-C651 WeakPolarHBondContact O-CB 3.2Å; S648-C651 PolarHBondContact O-N 2.83Å; S648-C651 VanDerWaalsContact O-N 3.13Å; D649-C651 VanDerWaalsContact C-N 3.32Å; D649-C651 PolarHBondContact O-N 3.29Å; C651-W653 VanDerWaalsContact C-N 3.25Å; C651-W653 PolarHBondContact O-N 3.24Å; C651-K654 WeakPolarHBondContact O-CB 3.49Å; C651-K654 PolarHBondContact O-N 2.92Å; C651-F672 VanDerWaalsContact SG-CD1 3.52Å; C651-Y673 HydrophobicContact CB-CE1 4.13Å
652	E	62.7	Low	57.2	Low	131 Å²	131	63.5 Å²	63.5	61%	0.612	34%	0.338	S	S	*	.	H	α-helix	trans	-65.4	-32.1	177	-75.4	-176	-177.6	0	0	111.2	S648 D649 I650 K654 V655	S648-E652 WeakPolarHBondContact O-CG 3.48Å; S648-E652 PolarHBondContact O-N 3.07Å; D649-E652 WeakPolarHBondContact O-CB 3.48Å; D649-E652 PolarHBondContact O-N 3.2Å; D649-E652 VanDerWaalsContact O-N 3.08Å; I650-E652 VanDerWaalsContact C-N 3.34Å; I650-E652 PolarHBondContact O-N 3.49Å; E652-K654 PolarHBondContact O-N 2.88Å; E652-V655 VanDerWaalsContact O-CB 3.28Å; E652-V655 WeakPolarHBondContact O-CB 3.45Å; E652-V655 PolarHBondContact O-N 3.12Å
653	W	59.4	Low	56.4	Low	31 Å²	31	66.6 Å²	66.6	12%	0.117	36%	0.36	C	S	.	.	H	α-helix	trans	-62.6	-27.1	176.4	-69.3	30	0	0	0	112.4	L244 K612 M616 D649 I650 C651 V655 E656 F657	L244-W653 HydrophobicContact CD2-CZ2 3.98Å; K612-W653 HydrophobicContact CB-CZ3 4.41Å; K612-W653 WeakPolarHBondContact O-CZ3 3.36Å; M616-W653 HydrophobicContact CB-CE3 4.45Å; M616-W653 HydrophobicContact CB-CH2 4.15Å; M616-W653 HydrophobicContact CB-CZ3 3.7Å; M616-W653 HydrophobicContact CG-CZ3 4.26Å; M616-W653 HydrophobicContact SD-CE3 3.97Å; M616-W653 HydrophobicContact SD-CZ3 4.17Å; D649-W653 PolarHBondContact O-N 3.46Å; D649-W653 VanDerWaalsContact O-N 3.15Å; I650-W653 WeakPolarHBondContact O-CB 3.45Å; I650-W653 PolarHBondContact O-N 2.87Å; C651-W653 VanDerWaalsContact C-N 3.25Å; C651-W653 PolarHBondContact O-N 3.24Å; W653-V655 PolarHBondContact O-N 3.34Å; W653-E656 PolarHBondContact O-N 3.03Å; W653-F657 HydrophobicContact CB-CD2 4.25Å; W653-F657 HydrophobicContact CB-CE2 4.42Å; W653-F657 AromaticContact CE3-CE2 3.8Å; W653-F657 HydrophobicContact CE3-CE2 3.8Å; W653-F657 HydrophobicContact CZ3-CE2 4.44Å; W653-F657 WeakPolarHBondContact O-CD2 3.22Å; W653-F657 PolarHBondContact O-N 3.19Å
654	K	55.7	Low	55.4	Low	31 Å²	31	72.1 Å²	72.1	14%	0.135	39%	0.389	C	S	.	.	H	α-helix	trans	-51.9	-39	169.6	-175.4	-178.7	-177.5	179.1	0	111.8	C651 E652 E656 N658 W669 Y673	C651-K654 WeakPolarHBondContact O-CB 3.49Å; C651-K654 PolarHBondContact O-N 2.92Å; E652-K654 PolarHBondContact O-N 2.88Å; K654-E656 VanDerWaalsContact C-N 3.27Å; K654-E656 PolarHBondContact O-N 3.5Å; K654-N658 WeakPolarHBondContact O-CB 3.34Å; K654-N658 PolarHBondContact O-N 2.94Å; K654-W669 HydrophobicContact CB-CD2 3.76Å; K654-W669 HydrophobicContact CB-CE3 3.8Å; K654-W669 HydrophobicContact CB-CG 4.42Å; K654-W669 HydrophobicContact CB-CH2 3.93Å; K654-W669 HydrophobicContact CB-CZ2 3.9Å; K654-W669 HydrophobicContact CB-CZ3 3.88Å; K654-W669 HydrophobicContact CD-CB 3.75Å; K654-W669 HydrophobicContact CD-CD2 3.75Å; K654-W669 HydrophobicContact CD-CE3 4.13Å; K654-W669 HydrophobicContact CD-CG 3.56Å; K654-W669 HydrophobicContact CG-CD2 3.67Å; K654-W669 HydrophobicContact CG-CE3 4.16Å; K654-W669 HydrophobicContact CG-CG 3.8Å; K654-W669 HydrophobicContact CG-CZ2 4.34Å; K654-Y673 HydrophobicContact CD-CE2 3.72Å
655	V	56	Low	54.6	Low	119 Å²	119	73 Å²	73	72%	0.721	39%	0.394	S	S	*	.	H	α-helix	trans	-65.8	-35.4	-179.7	-176.6	0	0	0	0	110.4	E652 W653	E652-V655 VanDerWaalsContact O-CB 3.28Å; E652-V655 WeakPolarHBondContact O-CB 3.45Å; E652-V655 PolarHBondContact O-N 3.12Å; W653-V655 PolarHBondContact O-N 3.34Å
656	E	52.3	Low	53.8	Low	122 Å²	122	76.5 Å²	76.5	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-79.2	-34.7	179.1	-64.4	-163.8	178.7	0	0	114.4	K612 W653 K654 N658	K612-E656 IonicContact NZ-OE2 2.65Å; K612-E656 PolarHBondContact NZ-OE2 2.76Å; W653-E656 PolarHBondContact O-N 3.03Å; K654-E656 VanDerWaalsContact C-N 3.27Å; K654-E656 PolarHBondContact O-N 3.5Å; E656-N658 VanDerWaalsContact C-N 3.31Å
657	F	52.4	Low	52.9	Low	44 Å²	44	82.4 Å²	82.4	19%	0.193	42%	0.424	C	S	.	.	H	α-helix	trans	-79.2	-10	179.4	-83.1	-82.8	0	0	0	113.4	L603 K612 W653 L659	L603-F657 HydrophobicContact CD1-CD1 4.36Å; K612-F657 HydrophobicContact CB-CE1 4.49Å; K612-F657 HydrophobicContact CB-CE2 4.28Å; K612-F657 HydrophobicContact CB-CZ 3.65Å; K612-F657 HydrophobicContact CD-CE1 4.49Å; K612-F657 HydrophobicContact CD-CE2 4.24Å; K612-F657 HydrophobicContact CD-CZ 3.99Å; K612-F657 HydrophobicContact CG-CZ 4.49Å; W653-F657 HydrophobicContact CB-CD2 4.25Å; W653-F657 HydrophobicContact CB-CE2 4.42Å; W653-F657 AromaticContact CE3-CE2 3.8Å; W653-F657 HydrophobicContact CE3-CE2 3.8Å; W653-F657 HydrophobicContact CZ3-CE2 4.44Å; W653-F657 WeakPolarHBondContact O-CD2 3.22Å; W653-F657 PolarHBondContact O-N 3.19Å; F657-L659 PolarHBondContact O-N 2.89Å
658	N	45.4	Very low	52.1	Low	104 Å²	104	83.7 Å²	83.7	56%	0.556	43%	0.431	S	S	*	.			trans	-83.9	87.7	-170.6	-133	-7.7	0	0	0	114	K654 E656	K654-N658 WeakPolarHBondContact O-CB 3.34Å; K654-N658 PolarHBondContact O-N 2.94Å; E656-N658 VanDerWaalsContact C-N 3.31Å
659	L	41.8	Very low	51.5	Low	154 Å²	154	83.3 Å²	83.3	81%	0.806	43%	0.425	S	S	*	.	S	Bend	trans	-114.8	77.8	153.7	-93.4	135.5	0	0	0	109.4	F657 T661	F657-L659 PolarHBondContact O-N 2.89Å; L659-T661 PolarHBondContact O-N 3.48Å; L659-T661 VanDerWaalsContact O-N 3.17Å
660	N	46.2	Very low	51	Low	160 Å²	160	83.4 Å²	83.4	86%	0.856	43%	0.425	S	S	*	.	S	Bend	trans	43.7	51.9	156.8	-74.9	-9.6	0	0	0	118.9
661	T	43	Very low	50.3	Low	90 Å²	90	86.8 Å²	86.8	55%	0.552	44%	0.441	S	S	*	.			trans	-134.3	125.2	171.7	51.4	0	0	0	0	112.9	L659	L659-T661 PolarHBondContact O-N 3.48Å; L659-T661 VanDerWaalsContact O-N 3.17Å
662	S	49.5	Very low	49.9	Very low	68 Å²	68	86.6 Å²	86.6	48%	0.476	44%	0.44	S	S	.	.			trans	74.1	130.7	163.9	103.3	0	0	0	0	120.5	I664 D665	S662-I664 PolarHBondContact O-N 3.16Å; S662-D665 PolarHBondContact O-N 3.46Å; S662-D665 VanDerWaalsContact OG-CG 3.31Å; S662-D665 PolarHBondContact OG-N 2.92Å; S662-D665 PolarHBondContact OG-OD2 3.33Å
663	D	46.2	Very low	49.7	Very low	149 Å²	149	83.9 Å²	83.9	80%	0.797	42%	0.424	S	S	*	.	H	α-helix	trans	-62.3	-23.5	172.4	-69.7	-40.9	0	0	0	112.9	D665 Y666 F667	D663-D665 VanDerWaalsContact C-N 3.35Å; D663-Y666 PolarHBondContact O-N 2.73Å; D663-F667 PolarHBondContact O-N 2.98Å; D663-F667 VanDerWaalsContact O-N 3.14Å
664	I	41.8	Very low	49.3	Very low	117 Å²	117	86.2 Å²	86.2	60%	0.6	44%	0.441	S	S	*	.	H	α-helix	trans	-66.2	-40.2	-179.8	-62	171.5	0	0	0	110	S662 F667 M668	S662-I664 PolarHBondContact O-N 3.16Å; I664-F667 PolarHBondContact O-N 3.4Å; I664-M668 WeakPolarHBondContact O-CB 3.35Å; I664-M668 VanDerWaalsContact O-CG 3.26Å; I664-M668 WeakPolarHBondContact O-CG 3.41Å; I664-M668 PolarHBondContact O-N 2.68Å; I664-M668 VanDerWaalsContact O-N 3.08Å
665	D	47.3	Very low	49.2	Very low	29 Å²	29	85.5 Å²	85.5	16%	0.155	44%	0.439	C	S	.	.	H	α-helix	trans	-68.8	-39	177.3	-63.3	-40.1	0	0	0	111.1	S662 D663 F667 M668 W669	S662-D665 PolarHBondContact O-N 3.46Å; S662-D665 VanDerWaalsContact OG-CG 3.31Å; S662-D665 PolarHBondContact OG-N 2.92Å; S662-D665 PolarHBondContact OG-OD2 3.33Å; D663-D665 VanDerWaalsContact C-N 3.35Å; D665-F667 PolarHBondContact O-N 3.48Å; D665-M668 PolarHBondContact O-N 2.89Å; D665-W669 WeakPolarHBondContact O-CB 3.47Å; D665-W669 PolarHBondContact O-N 3.15Å
666	Y	48	Very low	49.4	Very low	144 Å²	144	82 Å²	82	57%	0.565	41%	0.414	S	S	*	.	H	α-helix	trans	-61.2	-43.8	176.5	-172.7	-94.2	0	0	0	112.1	D663 N670	D663-Y666 PolarHBondContact O-N 2.73Å; Y666-N670 VanDerWaalsContact CE1-ND2 3.35Å; Y666-N670 WeakPolarHBondContact CE1-ND2 3.38Å; Y666-N670 WeakPolarHBondContact O-CB 3.42Å; Y666-N670 PolarHBondContact O-N 2.93Å
667	F	44.3	Very low	49.4	Very low	134 Å²	134	80.8 Å²	80.8	59%	0.588	41%	0.411	S	S	*	.	H	α-helix	trans	-63.1	-48.3	176.5	-176.4	-95.7	0	0	0	111.8	D663 I664 D665 W669 N670 E671	D663-F667 PolarHBondContact O-N 2.98Å; D663-F667 VanDerWaalsContact O-N 3.14Å; I664-F667 PolarHBondContact O-N 3.4Å; D665-F667 PolarHBondContact O-N 3.48Å; F667-W669 PolarHBondContact O-N 3Å; F667-N670 PolarHBondContact O-N 3.31Å; F667-E671 HydrophobicContact CD1-CG 4.18Å; F667-E671 HydrophobicContact CE1-CG 3.73Å; F667-E671 HydrophobicContact CE2-CG 4.48Å; F667-E671 HydrophobicContact CZ-CG 3.89Å; F667-E671 WeakPolarHBondContact O-CB 3.49Å; F667-E671 PolarHBondContact O-N 3.26Å
668	M	47.1	Very low	49.4	Very low	28 Å²	28	81.7 Å²	81.7	14%	0.138	42%	0.423	C	S	.	.	H	α-helix	trans	-55.4	-47.5	177	-77.6	-88.3	-71.1	0	0	112.3	K597 I598 T601 I664 D665 E671 F672	K597-M668 HydrophobicContact CB-CE 3.94Å; K597-M668 HydrophobicContact CD-CE 3.69Å; K597-M668 HydrophobicContact CD-SD 3.51Å; K597-M668 VanDerWaalsContact CD-SD 3.51Å; K597-M668 WeakPolarHBondContact CE-SD 3.18Å; K597-M668 HydrophobicContact CG-CE 3.56Å; K597-M668 HydrophobicContact CG-SD 4.1Å; I598-M668 HydrophobicContact CG1-CE 3.85Å; T601-M668 HydrophobicContact CG2-CE 4.19Å; I664-M668 WeakPolarHBondContact O-CB 3.35Å; I664-M668 VanDerWaalsContact O-CG 3.26Å; I664-M668 WeakPolarHBondContact O-CG 3.41Å; I664-M668 PolarHBondContact O-N 2.68Å; I664-M668 VanDerWaalsContact O-N 3.08Å; D665-M668 PolarHBondContact O-N 2.89Å; M668-E671 WeakPolarHBondContact O-CB 3.26Å; M668-E671 PolarHBondContact O-N 2.72Å; M668-F672 PolarHBondContact O-N 3.18Å; M668-F672 VanDerWaalsContact O-N 3.08Å
669	W	53.3	Low	49.8	Very low	22 Å²	22	76.7 Å²	76.7	8%	0.083	40%	0.396	C	S	.	.	H	α-helix	trans	-66.8	-42.8	177.7	-75.5	117	0	0	0	112.2	I598 I650 K654 D665 F667 E671 F672 Y673	I598-W669 HydrophobicContact CD1-CH2 4.15Å; I598-W669 HydrophobicContact CD1-CZ3 4.2Å; I598-W669 HydrophobicContact CG2-CZ2 4.33Å; I650-W669 HydrophobicContact CG2-CH2 4.39Å; I650-W669 HydrophobicContact CG2-CZ3 4.12Å; I650-W669 WeakPolarHBondContact O-CH2 3.46Å; I650-W669 VanDerWaalsContact O-CZ3 3.24Å; I650-W669 WeakPolarHBondContact O-CZ3 3.48Å; K654-W669 HydrophobicContact CB-CD2 3.76Å; K654-W669 HydrophobicContact CB-CE3 3.8Å; K654-W669 HydrophobicContact CB-CG 4.42Å; K654-W669 HydrophobicContact CB-CH2 3.93Å; K654-W669 HydrophobicContact CB-CZ2 3.9Å; K654-W669 HydrophobicContact CB-CZ3 3.88Å; K654-W669 HydrophobicContact CD-CB 3.75Å; K654-W669 HydrophobicContact CD-CD2 3.75Å; K654-W669 HydrophobicContact CD-CE3 4.13Å; K654-W669 HydrophobicContact CD-CG 3.56Å; K654-W669 HydrophobicContact CG-CD2 3.67Å; K654-W669 HydrophobicContact CG-CE3 4.16Å; K654-W669 HydrophobicContact CG-CG 3.8Å; K654-W669 HydrophobicContact CG-CZ2 4.34Å; D665-W669 WeakPolarHBondContact O-CB 3.47Å; D665-W669 PolarHBondContact O-N 3.15Å; F667-W669 PolarHBondContact O-N 3Å; W669-E671 VanDerWaalsContact C-N 3.29Å; W669-E671 PolarHBondContact O-N 3.1Å; W669-F672 PolarHBondContact O-N 3.47Å; W669-F672 VanDerWaalsContact O-N 3.11Å; W669-Y673 WeakPolarHBondContact O-CD2 3.24Å; W669-Y673 PolarHBondContact O-N 2.9Å
670	N	53.1	Low	50.6	Low	70 Å²	70	72.3 Å²	72.3	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-58.2	-43.3	175.9	-106	4.6	0	0	0	111.7	Y666 F667 F672 Y673 V674	Y666-N670 VanDerWaalsContact CE1-ND2 3.35Å; Y666-N670 WeakPolarHBondContact CE1-ND2 3.38Å; Y666-N670 WeakPolarHBondContact O-CB 3.42Å; Y666-N670 PolarHBondContact O-N 2.93Å; F667-N670 PolarHBondContact O-N 3.31Å; N670-F672 VanDerWaalsContact C-N 3.3Å; N670-F672 PolarHBondContact O-N 3.42Å; N670-Y673 WeakPolarHBondContact O-CB 3.39Å; N670-Y673 PolarHBondContact O-N 3.43Å; N670-Y673 VanDerWaalsContact O-N 3.16Å; N670-V674 WeakPolarHBondContact O-CG2 3.36Å; N670-V674 PolarHBondContact O-N 3.07Å
671	E	48.9	Very low	50.8	Low	71 Å²	71	69.8 Å²	69.8	33%	0.332	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-35.9	175.2	-85.9	-64.8	138.1	0	0	112.7	K594 F667 M668 W669 F675	K594-E671 PolarHBondContact NZ-O 2.9Å; K594-E671 VanDerWaalsContact NZ-O 3.11Å; K594-E671 IonicContact NZ-OE2 2.9Å; K594-E671 PolarHBondContact NZ-OE2 3.49Å; F667-E671 HydrophobicContact CD1-CG 4.18Å; F667-E671 HydrophobicContact CE1-CG 3.73Å; F667-E671 HydrophobicContact CE2-CG 4.48Å; F667-E671 HydrophobicContact CZ-CG 3.89Å; F667-E671 WeakPolarHBondContact O-CB 3.49Å; F667-E671 PolarHBondContact O-N 3.26Å; M668-E671 WeakPolarHBondContact O-CB 3.26Å; M668-E671 PolarHBondContact O-N 2.72Å; W669-E671 VanDerWaalsContact C-N 3.29Å; W669-E671 PolarHBondContact O-N 3.1Å; E671-F675 VanDerWaalsContact O-CB 3.27Å; E671-F675 WeakPolarHBondContact O-CB 3.33Å; E671-F675 PolarHBondContact O-N 3.16Å
672	F	52.8	Low	51.2	Low	1 Å²	1	67.1 Å²	67.1	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-70.9	-35.8	173.9	-159.7	-98	0	0	0	111.9	L591 K594 I647 I650 C651 M668 W669 N670 F675 K676	L591-F672 HydrophobicContact CD2-CE2 3.71Å; L591-F672 HydrophobicContact CD2-CZ 3.77Å; K594-F672 HydrophobicContact CB-CD2 4.26Å; K594-F672 HydrophobicContact CD-CD2 4.33Å; I647-F672 HydrophobicContact CB-CE1 4.39Å; I647-F672 HydrophobicContact CG1-CZ 4.49Å; I647-F672 HydrophobicContact CG2-CD1 4.38Å; I647-F672 HydrophobicContact CG2-CE1 3.66Å; I647-F672 HydrophobicContact CG2-CZ 4.12Å; I647-F672 WeakPolarHBondContact O-CE1 3.46Å; I650-F672 HydrophobicContact CB-CE1 3.82Å; I650-F672 HydrophobicContact CB-CZ 3.85Å; I650-F672 HydrophobicContact CD1-CZ 4.08Å; I650-F672 HydrophobicContact CG2-CD1 4.27Å; I650-F672 HydrophobicContact CG2-CE1 3.55Å; I650-F672 HydrophobicContact CG2-CE2 4.23Å; I650-F672 HydrophobicContact CG2-CZ 3.54Å; C651-F672 VanDerWaalsContact SG-CD1 3.52Å; M668-F672 PolarHBondContact O-N 3.18Å; M668-F672 VanDerWaalsContact O-N 3.08Å; W669-F672 PolarHBondContact O-N 3.47Å; W669-F672 VanDerWaalsContact O-N 3.11Å; N670-F672 VanDerWaalsContact C-N 3.3Å; N670-F672 PolarHBondContact O-N 3.42Å; F672-F675 WeakPolarHBondContact O-CB 3.43Å; F672-F675 PolarHBondContact O-N 2.73Å; F672-K676 WeakPolarHBondContact O-CB 3.49Å; F672-K676 PolarHBondContact O-N 2.8Å
673	Y	59.3	Low	51.5	Low	74 Å²	74	64 Å²	64	29%	0.29	32%	0.318	S	S	.	.	H	α-helix	trans	-66.6	-42.8	172.1	-78.3	-72.1	0	0	0	113	C651 K654 W669 N670 F675 K676 N677	C651-Y673 HydrophobicContact CB-CE1 4.13Å; K654-Y673 HydrophobicContact CD-CE2 3.72Å; W669-Y673 WeakPolarHBondContact O-CD2 3.24Å; W669-Y673 PolarHBondContact O-N 2.9Å; N670-Y673 WeakPolarHBondContact O-CB 3.39Å; N670-Y673 PolarHBondContact O-N 3.43Å; N670-Y673 VanDerWaalsContact O-N 3.16Å; Y673-F675 PolarHBondContact O-N 3.35Å; Y673-K676 WeakPolarHBondContact O-CB 3.37Å; Y673-K676 PolarHBondContact O-N 3.01Å; Y673-N677 VanDerWaalsContact O-CG 3.26Å; Y673-N677 PolarHBondContact O-N 3.02Å; Y673-N677 PolarHBondContact O-ND2 3.16Å
674	V	52.1	Low	51.8	Low	79 Å²	79	60.1 Å²	60.1	48%	0.479	30%	0.297	S	S	.	.	H	α-helix	trans	-60.5	-40.7	174.1	171.7	0	0	0	0	110.4	N670 N677 S678	N670-V674 WeakPolarHBondContact O-CG2 3.36Å; N670-V674 PolarHBondContact O-N 3.07Å; V674-N677 PolarHBondContact O-N 3Å; V674-S678 PolarHBondContact O-N 2.66Å; V674-S678 PolarHBondContact O-OG 2.98Å
675	F	53.7	Low	52.1	Low	17 Å²	17	58.2 Å²	58.2	8%	0.075	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-47.2	175.6	-177	-89.9	0	0	0	112.1	L587 L590 L591 I647 E671 F672 Y673 N677 S678 V679	L587-F675 HydrophobicContact CB-CZ 4.42Å; L587-F675 HydrophobicContact CD1-CD2 4.28Å; L587-F675 HydrophobicContact CD1-CE1 4.11Å; L587-F675 HydrophobicContact CD1-CE2 3.22Å; L587-F675 HydrophobicContact CD1-CZ 3.14Å; L587-F675 HydrophobicContact CG-CE1 4.27Å; L587-F675 HydrophobicContact CG-CE2 4.03Å; L587-F675 HydrophobicContact CG-CZ 3.44Å; L587-F675 VanDerWaalsContact CG-CZ 3.44Å; L587-F675 WeakPolarHBondContact O-CZ 3.45Å; L590-F675 HydrophobicContact CB-CE2 4.4Å; L590-F675 HydrophobicContact CD2-CD2 3.96Å; L590-F675 HydrophobicContact CD2-CE2 3.65Å; L590-F675 HydrophobicContact CG-CE2 4.44Å; L591-F675 HydrophobicContact CD1-CE1 3.63Å; L591-F675 HydrophobicContact CD1-CZ 4Å; L591-F675 HydrophobicContact CD2-CD1 4.26Å; L591-F675 HydrophobicContact CD2-CE1 3.71Å; L591-F675 HydrophobicContact CG-CD1 4.29Å; L591-F675 HydrophobicContact CG-CE1 3.32Å; L591-F675 HydrophobicContact CG-CZ 3.7Å; I647-F675 HydrophobicContact CD1-CE1 4.33Å; E671-F675 VanDerWaalsContact O-CB 3.27Å; E671-F675 WeakPolarHBondContact O-CB 3.33Å; E671-F675 PolarHBondContact O-N 3.16Å; F672-F675 WeakPolarHBondContact O-CB 3.43Å; F672-F675 PolarHBondContact O-N 2.73Å; Y673-F675 PolarHBondContact O-N 3.35Å; F675-N677 VanDerWaalsContact C-N 3.27Å; F675-N677 PolarHBondContact O-N 2.74Å; F675-S678 WeakPolarHBondContact O-CA 3.41Å; F675-S678 VanDerWaalsContact O-CB 3.3Å; F675-S678 WeakPolarHBondContact O-CB 3.47Å; F675-S678 PolarHBondContact O-N 3.17Å; F675-V679 HydrophobicContact CD1-CG2 3.85Å; F675-V679 HydrophobicContact CE1-CG2 3.42Å; F675-V679 VanDerWaalsContact CE1-CG2 3.42Å; F675-V679 HydrophobicContact CZ-CG2 3.94Å; F675-V679 WeakPolarHBondContact O-CG2 3.36Å; F675-V679 PolarHBondContact O-N 3.4Å
676	K	58.9	Low	52.1	Low	46 Å²	46	57 Å²	57	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-51.3	-46.7	172.5	-179.7	177.9	-173.4	168.7	0	111.5	M644 I647 S648 F672 Y673 S678 V679 Q680	M644-K676 HydrophobicContact CE-CD 4.48Å; M644-K676 HydrophobicContact CE-CG 3.74Å; I647-K676 HydrophobicContact CG2-CB 3.55Å; I647-K676 HydrophobicContact CG2-CD 3.88Å; I647-K676 HydrophobicContact CG2-CG 3.55Å; S648-K676 VanDerWaalsContact OG-CE 3.3Å; S648-K676 WeakPolarHBondContact OG-CE 3.44Å; S648-K676 PolarHBondContact OG-NZ 3.28Å; F672-K676 WeakPolarHBondContact O-CB 3.49Å; F672-K676 PolarHBondContact O-N 2.8Å; Y673-K676 WeakPolarHBondContact O-CB 3.37Å; Y673-K676 PolarHBondContact O-N 3.01Å; K676-S678 VanDerWaalsContact C-N 3.29Å; K676-S678 PolarHBondContact O-N 3.46Å; K676-V679 PolarHBondContact O-N 3.27Å; K676-Q680 WeakPolarHBondContact O-CB 3.2Å; K676-Q680 PolarHBondContact O-N 3.38Å
677	N	53.6	Low	52.4	Low	95 Å²	95	54 Å²	54	51%	0.508	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-38.7	176.7	-68.2	-17.1	0	0	0	111.9	Y673 V674 F675 Q680 N681	Y673-N677 VanDerWaalsContact O-CG 3.26Å; Y673-N677 PolarHBondContact O-N 3.02Å; Y673-N677 PolarHBondContact O-ND2 3.16Å; V674-N677 PolarHBondContact O-N 3Å; F675-N677 VanDerWaalsContact C-N 3.27Å; F675-N677 PolarHBondContact O-N 2.74Å; N677-Q680 PolarHBondContact O-N 3.24Å; N677-N681 WeakPolarHBondContact O-CB 3.21Å; N677-N681 PolarHBondContact O-N 2.96Å; N677-N681 PolarHBondContact O-ND2 3.18Å
678	S	50.5	Low	52.6	Low	63 Å²	63	51.3 Å²	51.3	44%	0.441	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-42	176.1	-55.8	0	0	0	0	112.2	V674 F675 K676 L682	V674-S678 PolarHBondContact O-N 2.66Å; V674-S678 PolarHBondContact O-OG 2.98Å; F675-S678 WeakPolarHBondContact O-CA 3.41Å; F675-S678 VanDerWaalsContact O-CB 3.3Å; F675-S678 WeakPolarHBondContact O-CB 3.47Å; F675-S678 PolarHBondContact O-N 3.17Å; K676-S678 VanDerWaalsContact C-N 3.29Å; K676-S678 PolarHBondContact O-N 3.46Å; S678-L682 PolarHBondContact O-N 3.15Å; S678-L682 VanDerWaalsContact O-N 3.09Å
679	V	55.1	Low	52.5	Low	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.5	-39.6	174.9	-173.1	0	0	0	0	111.2	L587 M640 M644 I647 F675 K676 L682 L683	L587-V679 HydrophobicContact CD1-CG2 3.95Å; L587-V679 HydrophobicContact CD2-CB 4.49Å; L587-V679 HydrophobicContact CD2-CG1 4.16Å; L587-V679 HydrophobicContact CD2-CG2 3.75Å; L587-V679 HydrophobicContact CG-CG2 4.08Å; M640-V679 HydrophobicContact CE-CG1 3.92Å; M640-V679 WeakPolarHBondContact CE-O 3.42Å; M640-V679 HydrophobicContact SD-CG1 4.39Å; M644-V679 HydrophobicContact CG-CG1 4.29Å; M644-V679 HydrophobicContact SD-CB 3.73Å; M644-V679 HydrophobicContact SD-CG1 3.58Å; M644-V679 VanDerWaalsContact SD-CG1 3.58Å; I647-V679 HydrophobicContact CD1-CB 3.94Å; I647-V679 HydrophobicContact CD1-CG1 3.93Å; I647-V679 HydrophobicContact CD1-CG2 3.8Å; F675-V679 HydrophobicContact CD1-CG2 3.85Å; F675-V679 HydrophobicContact CE1-CG2 3.42Å; F675-V679 VanDerWaalsContact CE1-CG2 3.42Å; F675-V679 HydrophobicContact CZ-CG2 3.94Å; F675-V679 WeakPolarHBondContact O-CG2 3.36Å; F675-V679 PolarHBondContact O-N 3.4Å; K676-V679 PolarHBondContact O-N 3.27Å; V679-L682 CarbonylContact O-C 3.5Å; V679-L682 WeakPolarHBondContact O-CB 3.27Å; V679-L682 PolarHBondContact O-N 3.41Å; V679-L683 PolarHBondContact O-N 3.45Å
680	Q	58.9	Low	52.2	Low	61 Å²	61	53.8 Å²	53.8	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-45.6	175.6	-177.3	60.6	52.6	0	0	111.5	M644 K676 N677 L682 L683 D684	M644-Q680 HydrophobicContact CE-CB 3.97Å; M644-Q680 VanDerWaalsContact CE-OE1 3.24Å; M644-Q680 HydrophobicContact SD-CB 4.22Å; K676-Q680 WeakPolarHBondContact O-CB 3.2Å; K676-Q680 PolarHBondContact O-N 3.38Å; N677-Q680 PolarHBondContact O-N 3.24Å; Q680-L682 PolarHBondContact O-N 3.37Å; Q680-L683 CarbonylContact O-C 3.58Å; Q680-L683 WeakPolarHBondContact O-CA 3.37Å; Q680-L683 WeakPolarHBondContact O-CB 3.41Å; Q680-L683 PolarHBondContact O-N 2.97Å; Q680-D684 VanDerWaalsContact NE2-CG 3.35Å; Q680-D684 PolarHBondContact NE2-OD1 3.25Å; Q680-D684 PolarHBondContact NE2-OD2 2.9Å; Q680-D684 WeakPolarHBondContact O-CB 3.46Å; Q680-D684 VanDerWaalsContact O-CG 3.3Å; Q680-D684 PolarHBondContact O-N 2.77Å
681	N	50.4	Low	51.8	Low	108 Å²	108	53.1 Å²	53.1	58%	0.578	29%	0.289	S	S	*	.	H	α-helix	trans	-58.9	-39.4	174.9	-71.2	-21	0	0	0	111.4	N677 L685	N677-N681 WeakPolarHBondContact O-CB 3.21Å; N677-N681 PolarHBondContact O-N 2.96Å; N677-N681 PolarHBondContact O-ND2 3.18Å; N681-L685 WeakPolarHBondContact O-CB 3.08Å; N681-L685 PolarHBondContact O-N 3.36Å
682	L	50.9	Low	51.4	Low	33 Å²	33	52.4 Å²	52.4	17%	0.173	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-40.9	174.1	-175.9	64.1	0	0	0	111.7	H583 L587 W635 M640 S678 V679 Q680 L685 V686	H583-L682 HydrophobicContact CB-CD2 4.18Å; L587-L682 HydrophobicContact CD2-CD2 4.44Å; W635-L682 HydrophobicContact CH2-CD2 3.5Å; W635-L682 VanDerWaalsContact CH2-CD2 3.5Å; W635-L682 HydrophobicContact CZ2-CD2 3.63Å; W635-L682 HydrophobicContact CZ3-CD2 4.23Å; M640-L682 HydrophobicContact CE-CB 3.82Å; M640-L682 HydrophobicContact CE-CD2 3.85Å; M640-L682 HydrophobicContact CE-CG 3.68Å; S678-L682 PolarHBondContact O-N 3.15Å; S678-L682 VanDerWaalsContact O-N 3.09Å; V679-L682 CarbonylContact O-C 3.5Å; V679-L682 WeakPolarHBondContact O-CB 3.27Å; V679-L682 PolarHBondContact O-N 3.41Å; Q680-L682 PolarHBondContact O-N 3.37Å; L682-L685 HydrophobicContact CD1-CD2 4.43Å; L682-L685 WeakPolarHBondContact O-CB 3.39Å; L682-L685 PolarHBondContact O-N 3.19Å; L682-V686 VanDerWaalsContact O-CG2 3.31Å; L682-V686 WeakPolarHBondContact O-CG2 3.19Å; L682-V686 PolarHBondContact O-N 2.7Å
683	L	56	Low	50.7	Low	3 Å²	3	60.9 Å²	60.9	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-61.4	-44.4	175	173.6	55.5	0	0	0	111.3	M640 M644 V679 Q680 L685 V686 K687	M640-L683 HydrophobicContact CB-CB 4.4Å; M640-L683 HydrophobicContact CB-CD1 3.31Å; M640-L683 HydrophobicContact CB-CG 4.28Å; M640-L683 HydrophobicContact CE-CB 3.82Å; M640-L683 VanDerWaalsContact CE-N 3.3Å; M640-L683 HydrophobicContact CG-CD1 4.14Å; M644-L683 HydrophobicContact CB-CD2 4.3Å; M644-L683 HydrophobicContact CG-CD2 3.62Å; V679-L683 PolarHBondContact O-N 3.45Å; Q680-L683 CarbonylContact O-C 3.58Å; Q680-L683 WeakPolarHBondContact O-CA 3.37Å; Q680-L683 WeakPolarHBondContact O-CB 3.41Å; Q680-L683 PolarHBondContact O-N 2.97Å; L683-L685 VanDerWaalsContact C-N 3.32Å; L683-V686 PolarHBondContact O-N 3.17Å; L683-K687 HydrophobicContact CD1-CD 3.87Å; L683-K687 HydrophobicContact CD1-CG 4.03Å; L683-K687 HydrophobicContact CG-CD 4.04Å; L683-K687 WeakPolarHBondContact O-CB 3.09Å; L683-K687 WeakPolarHBondContact O-CG 3.35Å; L683-K687 PolarHBondContact O-N 2.99Å
684	D	51.3	Low	49.6	Very low	68 Å²	68	61.3 Å²	61.3	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-65.9	-37.5	178.4	-68.7	-26.3	0	0	0	111.1	Q680 S688	Q680-D684 VanDerWaalsContact NE2-CG 3.35Å; Q680-D684 PolarHBondContact NE2-OD1 3.25Å; Q680-D684 PolarHBondContact NE2-OD2 2.9Å; Q680-D684 WeakPolarHBondContact O-CB 3.46Å; Q680-D684 VanDerWaalsContact O-CG 3.3Å; Q680-D684 PolarHBondContact O-N 2.77Å; D684-S688 WeakPolarHBondContact O-CB 3.45Å; D684-S688 PolarHBondContact O-N 3.03Å; D684-S688 PolarHBondContact O-OG 3.36Å
685	L	48	Very low	48.7	Very low	77 Å²	77	59.6 Å²	59.6	40%	0.403	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-49.2	171.2	-177.4	68.2	0	0	0	111.2	N681 L682 L683 K687 S688 L689	N681-L685 WeakPolarHBondContact O-CB 3.08Å; N681-L685 PolarHBondContact O-N 3.36Å; L682-L685 HydrophobicContact CD1-CD2 4.43Å; L682-L685 WeakPolarHBondContact O-CB 3.39Å; L682-L685 PolarHBondContact O-N 3.19Å; L683-L685 VanDerWaalsContact C-N 3.32Å; L685-K687 PolarHBondContact O-N 2.92Å; L685-S688 PolarHBondContact O-N 3.16Å; L685-L689 HydrophobicContact CG-CD1 4.11Å; L685-L689 WeakPolarHBondContact O-CB 3.39Å; L685-L689 VanDerWaalsContact O-CG 3.26Å; L685-L689 WeakPolarHBondContact O-CG 3.43Å; L685-L689 PolarHBondContact O-N 2.92Å
686	V	48.9	Very low	47.6	Very low	3 Å²	3	65.5 Å²	65.5	2%	0.018	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-41.6	178.4	171.1	0	0	0	0	111.4	L682 L683 L689 N690	L682-V686 VanDerWaalsContact O-CG2 3.31Å; L682-V686 WeakPolarHBondContact O-CG2 3.19Å; L682-V686 PolarHBondContact O-N 2.7Å; L683-V686 PolarHBondContact O-N 3.17Å; V686-L689 PolarHBondContact O-N 3.32Å; V686-N690 WeakPolarHBondContact O-CB 2.99Å; V686-N690 PolarHBondContact O-N 3.49Å; V686-N690 PolarHBondContact O-ND2 2.82Å
687	K	53.8	Low	46.6	Very low	82 Å²	82	65.9 Å²	65.9	36%	0.357	35%	0.352	S	S	.	.	H	α-helix	trans	-64.6	-42.2	173.9	-82.9	173.6	177	166.2	0	111.4	D641 L683 L685 N690 A691	D641-K687 VanDerWaalsContact OD1-CE 3.26Å; D641-K687 WeakPolarHBondContact OD1-CE 3.44Å; D641-K687 IonicContact OD1-NZ 2.76Å; D641-K687 PolarHBondContact OD1-NZ 2.86Å; D641-K687 IonicContact OD2-NZ 3.77Å; L683-K687 HydrophobicContact CD1-CD 3.87Å; L683-K687 HydrophobicContact CD1-CG 4.03Å; L683-K687 HydrophobicContact CG-CD 4.04Å; L683-K687 WeakPolarHBondContact O-CB 3.09Å; L683-K687 WeakPolarHBondContact O-CG 3.35Å; L683-K687 PolarHBondContact O-N 2.99Å; L685-K687 PolarHBondContact O-N 2.92Å; K687-N690 CarbonylContact O-C 3.58Å; K687-N690 PolarHBondContact O-N 2.92Å; K687-A691 WeakPolarHBondContact O-CB 3.43Å; K687-A691 PolarHBondContact O-N 2.65Å
688	S	48.1	Very low	45.7	Very low	76 Å²	76	63.5 Å²	63.5	53%	0.531	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-40	177.4	-63	0	0	0	0	111.8	D684 L685 A691 C692	D684-S688 WeakPolarHBondContact O-CB 3.45Å; D684-S688 PolarHBondContact O-N 3.03Å; D684-S688 PolarHBondContact O-OG 3.36Å; L685-S688 PolarHBondContact O-N 3.16Å; S688-A691 PolarHBondContact O-N 3.07Å; S688-C692 WeakPolarHBondContact O-CB 3.26Å; S688-C692 PolarHBondContact O-N 2.76Å
689	L	44.7	Very low	44.9	Very low	33 Å²	33	65.3 Å²	65.3	17%	0.173	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-47.3	172.2	-73.7	167.7	0	0	0	110.8	L685 V686 A691 C692 I695	L685-L689 HydrophobicContact CG-CD1 4.11Å; L685-L689 WeakPolarHBondContact O-CB 3.39Å; L685-L689 VanDerWaalsContact O-CG 3.26Å; L685-L689 WeakPolarHBondContact O-CG 3.43Å; L685-L689 PolarHBondContact O-N 2.92Å; V686-L689 PolarHBondContact O-N 3.32Å; L689-A691 VanDerWaalsContact C-N 3.34Å; L689-A691 PolarHBondContact O-N 3.25Å; L689-C692 VanDerWaalsContact O-CB 3.32Å; L689-C692 WeakPolarHBondContact O-CB 3.12Å; L689-C692 PolarHBondContact O-N 3.22Å; L689-I695 HydrophobicContact CB-CD1 4.29Å; L689-I695 HydrophobicContact CD2-CD1 3.99Å; L689-I695 WeakPolarHBondContact O-CD1 3.48Å
690	N	46.5	Very low	43.9	Very low	69 Å²	69	69.3 Å²	69.3	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-30.4	176.4	-78.4	-47.2	0	0	0	113.8	V686 K687	V686-N690 WeakPolarHBondContact O-CB 2.99Å; V686-N690 PolarHBondContact O-N 3.49Å; V686-N690 PolarHBondContact O-ND2 2.82Å; K687-N690 CarbonylContact O-C 3.58Å; K687-N690 PolarHBondContact O-N 2.92Å
691	A	45	Very low	42.7	Very low	57 Å²	57	72.6 Å²	72.6	47%	0.471	39%	0.387	S	S	.	.	H	α-helix	trans	-83.4	-17	178.1	0	0	0	0	0	112.9	K687 S688 L689 K693	K687-A691 WeakPolarHBondContact O-CB 3.43Å; K687-A691 PolarHBondContact O-N 2.65Å; S688-A691 PolarHBondContact O-N 3.07Å; L689-A691 VanDerWaalsContact C-N 3.34Å; L689-A691 PolarHBondContact O-N 3.25Å; A691-K693 PolarHBondContact O-N 3.43Å
692	C	40.2	Very low	42	Very low	55 Å²	55	74.3 Å²	74.3	37%	0.372	39%	0.391	S	S	.	.			trans	-57.4	114.3	179.2	-171.3	0	0	0	0	109.1	S688 L689 L694 I695 R696	S688-C692 WeakPolarHBondContact O-CB 3.26Å; S688-C692 PolarHBondContact O-N 2.76Å; L689-C692 VanDerWaalsContact O-CB 3.32Å; L689-C692 WeakPolarHBondContact O-CB 3.12Å; L689-C692 PolarHBondContact O-N 3.22Å; C692-L694 PolarHBondContact O-N 2.97Å; C692-I695 HydrophobicContact CB-CB 4.22Å; C692-I695 HydrophobicContact CB-CD1 4.02Å; C692-I695 HydrophobicContact CB-CG1 4.18Å; C692-I695 PolarHBondContact O-N 3.45Å; C692-R696 PolarHBondContact O-N 2.97Å
693	K	38.1	Very low	41.2	Very low	179 Å²	179	77.4 Å²	77.4	78%	0.778	41%	0.408	S	S	*	.	H	α-helix	trans	-56.4	-26.6	-179.4	-75.5	-176.1	-179	177.3	0	112.7	A691 S697	A691-K693 PolarHBondContact O-N 3.43Å; K693-S697 WeakPolarHBondContact O-CA 3.43Å; K693-S697 WeakPolarHBondContact O-CB 3.37Å; K693-S697 PolarHBondContact O-N 2.94Å; K693-S697 PolarHBondContact O-OG 2.84Å
694	L	37.3	Very low	39.9	Very low	84 Å²	84	84.9 Å²	84.9	44%	0.44	44%	0.44	S	S	.	.	H	α-helix	trans	-69.4	-41.9	175.8	-158	90.2	0	0	0	111.7	L571 C692 S697 A698	L571-L694 HydrophobicContact CD1-CD2 3.97Å; L571-L694 HydrophobicContact CD2-CD2 4.22Å; C692-L694 PolarHBondContact O-N 2.97Å; L694-S697 WeakPolarHBondContact CA-OG 3.42Å; L694-S697 PolarHBondContact O-OG 2.91Å; L694-S697 VanDerWaalsContact O-OG 3.07Å; L694-A698 VanDerWaalsContact O-CB 3.3Å; L694-A698 WeakPolarHBondContact O-CB 3.26Å; L694-A698 PolarHBondContact O-N 3.47Å
695	I	32.3	Very low	39.3	Very low	42 Å²	42	86 Å²	86	22%	0.215	45%	0.447	C	S	.	.	H	α-helix	trans	-70.1	-45	175.4	-67.3	171.7	0	0	0	109	L689 C692 A698 L699	L689-I695 HydrophobicContact CB-CD1 4.29Å; L689-I695 HydrophobicContact CD2-CD1 3.99Å; L689-I695 WeakPolarHBondContact O-CD1 3.48Å; C692-I695 HydrophobicContact CB-CB 4.22Å; C692-I695 HydrophobicContact CB-CD1 4.02Å; C692-I695 HydrophobicContact CB-CG1 4.18Å; C692-I695 PolarHBondContact O-N 3.45Å; I695-A698 PolarHBondContact O-N 3.38Å; I695-L699 HydrophobicContact CG2-CD1 3.84Å; I695-L699 WeakPolarHBondContact O-CD1 3.26Å; I695-L699 PolarHBondContact O-N 3.44Å
696	R	31.7	Very low	38.6	Very low	142 Å²	142	88.8 Å²	88.8	54%	0.536	46%	0.458	S	S	.	.	H	α-helix	trans	-64.3	-40.1	175.4	-116.2	-177.5	-163.1	156	4.6	113.2	C692 L699 D700	C692-R696 PolarHBondContact O-N 2.97Å; R696-L699 CarbonylContact O-C 3.47Å; R696-L699 PolarHBondContact O-N 3.01Å; R696-D700 WeakPolarHBondContact O-CA 3.47Å; R696-D700 WeakPolarHBondContact O-CB 3.4Å; R696-D700 VanDerWaalsContact O-CG 3.22Å; R696-D700 PolarHBondContact O-N 3.43Å
697	S	37.3	Very low	37.9	Very low	53 Å²	53	94 Å²	94	37%	0.371	48%	0.484	S	S	.	.	H	α-helix	trans	-68.6	-36.6	176.1	63.9	0	0	0	0	111.2	K693 L694 L699 D700 E701	K693-S697 WeakPolarHBondContact O-CA 3.43Å; K693-S697 WeakPolarHBondContact O-CB 3.37Å; K693-S697 PolarHBondContact O-N 2.94Å; K693-S697 PolarHBondContact O-OG 2.84Å; L694-S697 WeakPolarHBondContact CA-OG 3.42Å; L694-S697 PolarHBondContact O-OG 2.91Å; L694-S697 VanDerWaalsContact O-OG 3.07Å; S697-L699 VanDerWaalsContact C-N 3.27Å; S697-L699 PolarHBondContact O-N 2.98Å; S697-D700 PolarHBondContact O-N 3.14Å; S697-E701 VanDerWaalsContact O-CB 3.22Å; S697-E701 WeakPolarHBondContact O-CB 3.45Å; S697-E701 VanDerWaalsContact O-CG 3.31Å; S697-E701 WeakPolarHBondContact O-CG 3.35Å; S697-E701 PolarHBondContact O-N 3.35Å
698	A	34.4	Very low	36.7	Very low	46 Å²	46	95.9 Å²	95.9	38%	0.38	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-32.2	171.6	0	0	0	0	0	112.3	L694 I695	L694-A698 VanDerWaalsContact O-CB 3.3Å; L694-A698 WeakPolarHBondContact O-CB 3.26Å; L694-A698 PolarHBondContact O-N 3.47Å; I695-A698 PolarHBondContact O-N 3.38Å
699	L	34.1	Very low	36.3	Very low	100 Å²	100	97.1 Å²	97.1	52%	0.524	50%	0.498	S	S	.	.	H	α-helix	trans	-78.3	-36.5	172	-91.1	132.5	0	0	0	113.3	I695 R696 S697 Q702	I695-L699 HydrophobicContact CG2-CD1 3.84Å; I695-L699 WeakPolarHBondContact O-CD1 3.26Å; I695-L699 PolarHBondContact O-N 3.44Å; R696-L699 CarbonylContact O-C 3.47Å; R696-L699 PolarHBondContact O-N 3.01Å; S697-L699 VanDerWaalsContact C-N 3.27Å; S697-L699 PolarHBondContact O-N 2.98Å; L699-Q702 WeakPolarHBondContact O-CB 3.05Å
700	D	34.2	Very low	35.8	Very low	84 Å²	84	101 Å²	101	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-86.7	-28.8	-174.4	-74.9	-27.3	0	0	0	112.8	R696 S697 Q702 N703 K704	R696-D700 WeakPolarHBondContact O-CA 3.47Å; R696-D700 WeakPolarHBondContact O-CB 3.4Å; R696-D700 VanDerWaalsContact O-CG 3.22Å; R696-D700 PolarHBondContact O-N 3.43Å; S697-D700 PolarHBondContact O-N 3.14Å; D700-Q702 PolarHBondContact O-N 3.05Å; D700-N703 WeakPolarHBondContact O-CA 3.29Å; D700-N703 WeakPolarHBondContact O-CB 3.32Å; D700-N703 PolarHBondContact O-N 3.38Å; D700-K704 PolarHBondContact O-N 3.39Å
701	E	34.4	Very low	35	Very low	131 Å²	131	104.4 Å²	104.4	61%	0.612	54%	0.537	S	S	*	.	H	α-helix	trans	-62.9	-24.4	169	-79.4	-129.3	155	0	0	111.7	S697 N703 N705	S697-E701 VanDerWaalsContact O-CB 3.22Å; S697-E701 WeakPolarHBondContact O-CB 3.45Å; S697-E701 VanDerWaalsContact O-CG 3.31Å; S697-E701 WeakPolarHBondContact O-CG 3.35Å; S697-E701 PolarHBondContact O-N 3.35Å; E701-N703 VanDerWaalsContact C-N 3.31Å; E701-N705 PolarHBondContact O-ND2 2.91Å
702	Q	35.1	Very low	34.4	Very low	143 Å²	143	105.9 Å²	105.9	67%	0.668	54%	0.544	S	S	*	.	H	α-helix	trans	-67.5	-31.7	168.2	-67.6	-165.3	-24.5	0	0	112.5	L699 D700	L699-Q702 WeakPolarHBondContact O-CB 3.05Å; D700-Q702 PolarHBondContact O-N 3.05Å
703	N	33.1	Very low	34.1	Very low	98 Å²	98	108.2 Å²	108.2	52%	0.524	56%	0.557	S	S	.	*	H	α-helix	trans	-81.7	-35.4	-179.6	-72.4	-30.7	0	0	0	112.9	D700 E701 Q706	D700-N703 WeakPolarHBondContact O-CA 3.29Å; D700-N703 WeakPolarHBondContact O-CB 3.32Å; D700-N703 PolarHBondContact O-N 3.38Å; E701-N703 VanDerWaalsContact C-N 3.31Å; N703-Q706 PolarHBondContact O-N 2.76Å
704	K	29	Very low	33.7	Very low	160 Å²	160	109.5 Å²	109.5	70%	0.696	56%	0.558	S	S	*	*	H	α-helix	trans	-69.5	-36.5	179.8	-92.7	-178.5	175.5	177.8	0	113.8	D700 Q706 I707	D700-K704 PolarHBondContact O-N 3.39Å; K704-Q706 PolarHBondContact O-N 2.96Å; K704-I707 PolarHBondContact O-N 3.04Å; K704-I707 VanDerWaalsContact O-N 3.15Å
705	N	38.4	Very low	33	Very low	92 Å²	92	112.5 Å²	112.5	49%	0.492	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.2	-9.7	179.2	-75.7	-48	0	0	0	114	E701 I709	E701-N705 PolarHBondContact O-ND2 2.91Å; N705-I709 WeakPolarHBondContact O-CD1 3.5Å
706	Q	33.5	Very low	32.5	Very low	136 Å²	136	116.3 Å²	116.3	64%	0.636	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-26.2	173.6	-86	-175.3	-1.6	0	0	114.3	N703 K704	N703-Q706 PolarHBondContact O-N 2.76Å; K704-Q706 PolarHBondContact O-N 2.96Å
707	I	33.8	Very low	32	Very low	112 Å²	112	117.4 Å²	117.4	57%	0.574	62%	0.62	S	S	*	*	H	α-helix	trans	-75.6	-35.8	-173.6	-59.6	177	0	0	0	111	K704 I709 N710	K704-I707 PolarHBondContact O-N 3.04Å; K704-I707 VanDerWaalsContact O-N 3.15Å; I707-I709 VanDerWaalsContact C-N 3.33Å; I707-I709 PolarHBondContact O-N 3.3Å; I707-N710 PolarHBondContact O-N 2.89Å
708	D	30.3	Very low	31.4	Very low	122 Å²	122	122.4 Å²	122.4	65%	0.652	64%	0.641	S	S	*	*	H	α-helix	trans	-71.9	-24.7	-177.9	-70.9	-29.2	0	0	0	113.6
709	I	38.4	Very low	30.8	Very low	102 Å²	102	125.5 Å²	125.5	52%	0.523	66%	0.661	S	S	.	*	H	α-helix	trans	-75.9	-26.8	-179.5	-62.1	173	0	0	0	111.9	N705 I707 N711 S712 T713	N705-I709 WeakPolarHBondContact O-CD1 3.5Å; I707-I709 VanDerWaalsContact C-N 3.33Å; I707-I709 PolarHBondContact O-N 3.3Å; I709-N711 VanDerWaalsContact C-N 3.35Å; I709-N711 PolarHBondContact O-N 3.15Å; I709-S712 PolarHBondContact O-OG 3.39Å; I709-T713 PolarHBondContact O-OG1 3.45Å; I709-T713 VanDerWaalsContact O-OG1 3.05Å
710	N	34.1	Very low	30.2	Very low	114 Å²	114	126 Å²	126	61%	0.61	67%	0.672	S	S	*	*	H	α-helix	trans	-76.7	-20.4	-177.1	-77.1	-12.4	0	0	0	113.6	I707	I707-N710 PolarHBondContact O-N 2.89Å
711	N	30.5	Very low	29.6	Very low	140 Å²	140	127.3 Å²	127.3	75%	0.749	69%	0.688	S	S	*	*	H	α-helix	trans	-85.6	-25.9	179.1	-78.3	-12.5	0	0	0	113.6	I709	I709-N711 VanDerWaalsContact C-N 3.35Å; I709-N711 PolarHBondContact O-N 3.15Å
712	S	32.5	Very low	29.2	Very low	88 Å²	88	128.1 Å²	128.1	62%	0.615	70%	0.701	S	S	*	*	H	α-helix	trans	-83	-16.4	-178.2	58.8	0	0	0	0	114.4	I709	I709-S712 PolarHBondContact O-OG 3.39Å
713	T	33.4	Very low	28.6	Very low	105 Å²	105	125.9 Å²	125.9	64%	0.644	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-11.4	-170	-43.5	0	0	0	0	113.4	I709	I709-T713 PolarHBondContact O-OG1 3.45Å; I709-T713 VanDerWaalsContact O-OG1 3.05Å
714	Y	28.8	Very low	28	Very low	206 Å²	206	128.3 Å²	128.3	81%	0.808	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	7.8	-176.6	-87.7	-74.6	0	0	0	116.2
715	N	22.7	Very low	27.8	Very low	147 Å²	147	128.2 Å²	128.2	79%	0.786	72%	0.72	S	S	*	*	S	Bend	trans	-136.3	131.1	172.1	-93.9	-26.2	0	0	0	113
716	C	23.6	Very low	26.9	Very low	121 Å²	121	131.5 Å²	131.5	82%	0.818	74%	0.738	S	S	*	*			trans	93.6	56.4	168.7	-61.6	0	0	0	0	118.1
717	N	20.8	Very low	26.5	Very low	166 Å²	166	132.9 Å²	132.9	89%	0.888	75%	0.749	S	S	*	*				-83.7	99.2	125.5	-89.2	-23.2	0	0	0	107.8
718	L	24	Very low	25.9	Very low	157 Å²	157	136 Å²	136	82%	0.822	76%	0.761	S	S	*	*			trans	-158	117.2	153.6	-130.6	81.8	0	0	0	110.5
719	S	22.7	Very low	25.7	Very low	112 Å²	112	136.9 Å²	136.9	78%	0.783	77%	0.765	S	S	*	*			trans	84.6	110.5	152.9	-53.5	0	0	0	0	120.1
720	S	21.2	Very low	24.9	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	78%	0.78	S	S	*	*			trans	-55.4	150.6	158.6	49.3	0	0	0	0	115.4
721	S	21	Very low	24.4	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	79%	0.792	S	S	*	*			trans	95.9	108.6	157.6	-48.5	0	0	0	0	117.5
722	V	26.1	Very low	24.1	Very low	147 Å²	147	141 Å²	141	89%	0.891	79%	0.791	S	S	*	*				-178.6	140.2	121.1	170.6	0	0	0	0	109.1
723	S	21.7	Very low	23.7	Very low	96 Å²	96	148.2 Å²	148.2	67%	0.671	80%	0.804	S	S	*	*			trans	-70.5	162.1	-178.1	41.9	0	0	0	0	116.5
724	N	20.7	Very low	23.2	Very low	150 Å²	150	150.5 Å²	150.5	80%	0.802	81%	0.811	S	S	*	*			trans	60.9	106.8	151.3	-73.6	-4	0	0	0	120.1
725	I	25.1	Very low	22.9	Very low	158 Å²	158	145.5 Å²	145.5	81%	0.81	81%	0.806	S	S	*	*			trans	-137.4	105.6	133.2	-59.4	-177.2	0	0	0	108.6	L727	I725-L727 HydrophobicContact CG2-CD1 3.73Å
726	N	19.6	Very low	22.9	Very low	161 Å²	161	143.9 Å²	143.9	86%	0.861	81%	0.806	S	S	*	*			trans	-63.7	131.9	159.5	-108.6	-12.5	0	0	0	108.9
727	L	25.4	Very low	22.9	Very low	164 Å²	164	142.9 Å²	142.9	86%	0.859	80%	0.801	S	S	*	*			trans	-142.2	85.5	163.8	-124.2	98.2	0	0	0	108.7	I725	I725-L727 HydrophobicContact CG2-CD1 3.73Å
728	E	22.2	Very low	23	Very low	177 Å²	177	142.1 Å²	142.1	83%	0.827	80%	0.797	S	S	*	*			trans	-110.1	158.5	157.4	-92.2	-170.9	156.1	0	0	109.1
729	D	24.4	Very low	23.1	Very low	141 Å²	141	142.5 Å²	142.5	75%	0.754	80%	0.798	S	S	*	*			trans	87.6	109.7	169.4	-63.5	-26.5	0	0	0	119.7
730	N	22.4	Very low	23.1	Very low	154 Å²	154	142 Å²	142	82%	0.824	79%	0.794	S	S	*	*				-178.7	118.7	116.4	-91.7	-45.7	0	0	0	112.7
731	Q	24.7	Very low	23.2	Very low	187 Å²	187	142 Å²	142	87%	0.874	79%	0.794	S	S	*	*			trans	173.8	89.8	145.3	-97.5	167.6	71.7	0	0	109.6
732	S	23.9	Very low	23.3	Very low	102 Å²	102	142.1 Å²	142.1	71%	0.713	80%	0.795	S	S	*	*				67	107.9	89.3	73.4	0	0	0	0	116.5
733	R	23.6	Very low	23.3	Very low	240 Å²	240	140.6 Å²	140.6	91%	0.906	79%	0.791	S	S	*	*			trans	-169	102	139.6	-108.4	173.4	-171.1	-167.8	3.1	115
734	I	23.6	Very low	23.4	Very low	152 Å²	152	141.1 Å²	141.1	78%	0.779	80%	0.795	S	S	*	*			trans	35.8	122.6	131.5	-32.1	174.3	0	0	0	120.9
735	S	22.1	Very low	23.6	Very low	102 Å²	102	139.4 Å²	139.4	71%	0.713	79%	0.794	S	S	*	*				145.8	123.6	114.7	-73.4	0	0	0	0	116.3
736	S	22.9	Very low	23.6	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	80%	0.795	S	S	*	*			trans	106.6	122.9	141.9	-30.9	0	0	0	0	121.5
737	S	22.8	Very low	23.8	Very low	101 Å²	101	133 Å²	133	71%	0.706	79%	0.788	S	S	*	*			trans	75.5	114.6	144.3	61.1	0	0	0	0	123.3
738	D	22.5	Very low	23.7	Very low	149 Å²	149	130 Å²	130	80%	0.797	79%	0.787	S	S	*	*			trans	64	115.1	131	-53.6	-21.1	0	0	0	121.6
739	I	26.4	Very low	23.8	Very low	166 Å²	166	125.7 Å²	125.7	85%	0.851	78%	0.781	S	S	*	*				162.3	134.8	115.9	-79.6	158.2	0	0	0	109.4
740	S	22.4	Very low	23.7	Very low	101 Å²	101	128.1 Å²	128.1	71%	0.706	79%	0.785	S	S	*	*			trans	-56.1	151.7	-177	43.1	0	0	0	0	117.5
741	S	23.9	Very low	23.8	Very low	109 Å²	109	127.1 Å²	127.1	76%	0.762	78%	0.784	S	S	*	*			trans	107.4	125.3	148.7	73.4	0	0	0	0	118.7
742	S	23.5	Very low	23.8	Very low	115 Å²	115	125.9 Å²	125.9	80%	0.804	78%	0.778	S	S	*	*			trans	63.5	99.8	163	48.6	0	0	0	0	118.3	S744	S742-S744 PolarHBondContact O-N 3Å
743	S	25.3	Very low	23.9	Very low	116 Å²	116	127 Å²	127	81%	0.811	79%	0.786	S	S	*	*			trans	-57.4	118.5	161.4	49.1	0	0	0	0	112.3
744	S	24.2	Very low	24	Very low	107 Å²	107	122.7 Å²	122.7	75%	0.748	78%	0.776	S	S	*	*				148.5	118.1	129.7	56.4	0	0	0	0	113.1	S742	S742-S744 PolarHBondContact O-N 3Å
745	S	25.7	Very low	24	Very low	113 Å²	113	127 Å²	127	79%	0.79	78%	0.782	S	S	*	*			trans	48.7	88.4	147.8	56	0	0	0	0	119.1
746	A	24.6	Very low	24.3	Very low	99 Å²	99	127 Å²	127	82%	0.818	78%	0.782	S	S	*	*			trans	-107.9	112.6	150.1	0	0	0	0	0	106.8
747	A	23.1	Very low	24.4	Very low	87 Å²	87	128.7 Å²	128.7	72%	0.719	78%	0.782	S	S	*	*				55	104.1	60.6	0	0	0	0	0	112
748	A	22.8	Very low	24.7	Very low	101 Å²	101	131.2 Å²	131.2	84%	0.835	78%	0.782	S	S	*	*			trans	47.8	126.8	135.7	0	0	0	0	0	119.7
749	A	24.3	Very low	24.7	Very low	85 Å²	85	130.5 Å²	130.5	70%	0.702	78%	0.778	S	S	*	*			trans	115.9	113.8	137.8	0	0	0	0	0	115.8
750	K	22.2	Very low	24.6	Very low	192 Å²	192	132.8 Å²	132.8	84%	0.835	78%	0.778	S	S	*	*			trans	55.7	113.7	133.9	-66	175.8	176	176.9	0	116.3
751	T	24.6	Very low	24.8	Very low	133 Å²	133	136.2 Å²	136.2	82%	0.816	78%	0.782	S	S	*	*				-173.8	133.7	95.4	30.3	0	0	0	0	112.5
752	H	24.8	Very low	25.1	Very low	162 Å²	162	135.8 Å²	135.8	75%	0.75	78%	0.777	S	S	*	*			trans	-2.2	122.3	154.5	-64.2	-65.8	0	0	0	120.1	H754	H752-H754 AromaticContact ND1-NE2 3.87Å
753	S	27	Very low	25.2	Very low	125 Å²	125	139.1 Å²	139.1	87%	0.874	78%	0.779	S	S	*	*			trans	-130.5	120.3	137.8	-179.8	0	0	0	0	108.7
754	H	25.3	Very low	25.2	Very low	150 Å²	150	142.3 Å²	142.3	69%	0.694	78%	0.782	S	S	*	*			trans	-83.3	161.6	177.2	-82.2	-92.3	0	0	0	111.3	H752	H752-H754 AromaticContact ND1-NE2 3.87Å
755	R	23.5	Very low	25.3	Very low	242 Å²	242	141.5 Å²	141.5	91%	0.913	78%	0.776	S	S	*	*			trans	83.2	91.2	162.9	-76.3	-179.9	164.2	-175	-3.5	117.4
756	S	27.7	Very low	25.4	Very low	101 Å²	101	145.3 Å²	145.3	71%	0.706	78%	0.781	S	S	*	*				-159.2	99.4	109.1	178.1	0	0	0	0	108.9	H758	S756-H758 PolarHBondContact O-N 2.95Å
757	L	24.8	Very low	25.6	Very low	148 Å²	148	148.4 Å²	148.4	78%	0.775	78%	0.778	S	S	*	*			trans	-72.1	100.6	165.4	-87.2	119.6	0	0	0	107.7
758	H	29.4	Very low	25.8	Very low	155 Å²	155	148.9 Å²	148.9	72%	0.718	78%	0.776	S	S	*	*			trans	-104.4	88.3	150.4	-89.7	-66.5	0	0	0	108.2	S756 Y760	S756-H758 PolarHBondContact O-N 2.95Å; H758-Y760 VanDerWaalsContact C-N 3.35Å; H758-Y760 PolarHBondContact O-N 3.4Å
759	N	23.7	Very low	26	Very low	134 Å²	134	153.5 Å²	153.5	72%	0.717	78%	0.78	S	S	*	*			trans	-58.5	99.4	156.3	-79.7	-18.7	0	0	0	107.8
760	Y	24.3	Very low	26.1	Very low	214 Å²	214	151.8 Å²	151.8	84%	0.839	77%	0.771	S	S	*	*			trans	-111.7	105.8	154.6	-107.7	-88.1	0	0	0	107.3	H758	H758-Y760 VanDerWaalsContact C-N 3.35Å; H758-Y760 PolarHBondContact O-N 3.4Å
761	H	26.2	Very low	26.4	Very low	173 Å²	173	148.7 Å²	148.7	80%	0.801	76%	0.763	S	S	*	*			trans	-63.5	147.2	176.8	-108	-64.3	0	0	0	111.1
762	P	29.1	Very low	26.5	Very low	100 Å²	100	149.1 Å²	149.1	65%	0.649	75%	0.754	S	S	*	*			trans	-89.4	110.7	-175.5	33.9	-26.1	0	0	0	110.3
763	H	27.1	Very low	26.7	Very low	184 Å²	184	150.8 Å²	150.8	85%	0.852	75%	0.754	S	S	*	*			trans	-153.2	87.9	155.7	-82.3	-63.2	0	0	0	108.4
764	Q	25.8	Very low	26.8	Very low	184 Å²	184	148.5 Å²	148.5	86%	0.86	74%	0.743	S	S	*	*			trans	-165.1	104.9	140.6	-108.5	166.5	20.2	0	0	110.2	H766	Q764-H766 PolarHBondContact O-N 3.27Å
765	S	24.4	Very low	26.8	Very low	89 Å²	89	145.9 Å²	145.9	62%	0.622	73%	0.734	S	S	*	*			trans	-56.7	115.2	169.3	47.2	0	0	0	0	112.1
766	H	28.9	Very low	27	Very low	194 Å²	194	138.4 Å²	138.4	90%	0.898	71%	0.712	S	S	*	*			trans	-95.8	79.1	150.8	-80.3	-64.6	0	0	0	108.3	Q764 S768	Q764-H766 PolarHBondContact O-N 3.27Å; H766-S768 PolarHBondContact O-N 2.72Å; H766-S768 VanDerWaalsContact O-N 3.09Å
767	H	28.8	Very low	27	Very low	164 Å²	164	136.7 Å²	136.7	76%	0.759	70%	0.704	S	S	*	*			trans	-62.1	105.4	163.6	-80.9	-64.3	0	0	0	109
768	S	26.3	Very low	27.1	Very low	97 Å²	97	131.7 Å²	131.7	68%	0.678	68%	0.678	S	S	*	*				19.7	106.4	129.5	56.2	0	0	0	0	116.4	H766 G770	H766-S768 PolarHBondContact O-N 2.72Å; H766-S768 VanDerWaalsContact O-N 3.09Å; S768-G770 PolarHBondContact O-N 3.11Å; S768-G770 VanDerWaalsContact O-N 3.07Å
769	Q	27.2	Very low	26.9	Very low	197 Å²	197	132.3 Å²	132.3	92%	0.921	67%	0.674	S	S	*	*			trans	1.2	87.8	151.2	-66.4	-176	-24.5	0	0	115.8
770	G	27.9	Very low	27	Very low	50 Å²	50	130 Å²	130	52%	0.515	67%	0.667	S	S	.	*			trans	-74.7	127.9	158.5	0	0	0	0	0	108.9	S768 F772	S768-G770 PolarHBondContact O-N 3.11Å; S768-G770 VanDerWaalsContact O-N 3.07Å; G770-F772 WeakPolarHBondContact O-CD2 3.41Å; G770-F772 WeakPolarHBondContact O-CE2 3.47Å; G770-F772 PolarHBondContact O-N 3.34Å
771	D	27.3	Very low	27.3	Very low	126 Å²	126	122.5 Å²	122.5	67%	0.674	65%	0.646	S	S	*	*			trans	-58	100.2	-179.1	-162.7	-8.9	0	0	0	111.1	R773	D771-R773 PolarHBondContact O-N 3.14Å; D771-R773 VanDerWaalsContact O-N 3.14Å; D771-R773 WeakPolarHBondContact OD1-CG 3.38Å
772	F	26.3	Very low	27.3	Very low	143 Å²	143	120.9 Å²	120.9	63%	0.627	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-0.5	-174.7	-77.9	-82.8	0	0	0	113.8	G770 A774 L775 D776	G770-F772 WeakPolarHBondContact O-CD2 3.41Å; G770-F772 WeakPolarHBondContact O-CE2 3.47Å; G770-F772 PolarHBondContact O-N 3.34Å; F772-A774 VanDerWaalsContact C-N 3.34Å; F772-A774 PolarHBondContact O-N 3.11Å; F772-L775 HydrophobicContact CD1-CD1 3.58Å; F772-L775 HydrophobicContact CE1-CD1 3.94Å; F772-L775 PolarHBondContact O-N 2.97Å; F772-L775 VanDerWaalsContact O-N 3.11Å; F772-D776 PolarHBondContact O-N 2.74Å
773	R	29.5	Very low	27.4	Very low	196 Å²	196	119.5 Å²	119.5	74%	0.74	63%	0.625	S	S	*	*	H	α-helix	trans	-67.8	-31.8	-177.5	-67.9	178.7	176	-166.4	-0.4	113.1	D771 L775	D771-R773 PolarHBondContact O-N 3.14Å; D771-R773 VanDerWaalsContact O-N 3.14Å; D771-R773 WeakPolarHBondContact OD1-CG 3.38Å; R773-L775 VanDerWaalsContact C-N 3.29Å; R773-L775 PolarHBondContact O-N 2.76Å
774	A	29.3	Very low	27.6	Very low	78 Å²	78	114.5 Å²	114.5	65%	0.645	60%	0.6	S	S	*	*	H	α-helix	trans	-71.1	-24.4	173.7	0	0	0	0	0	112.8	F772	F772-A774 VanDerWaalsContact C-N 3.34Å; F772-A774 PolarHBondContact O-N 3.11Å
775	L	25.6	Very low	28	Very low	95 Å²	95	108.8 Å²	108.8	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-81.2	-23.2	178.7	-76.7	162.2	0	0	0	112.9	F772 R773 R779	F772-L775 HydrophobicContact CD1-CD1 3.58Å; F772-L775 HydrophobicContact CE1-CD1 3.94Å; F772-L775 PolarHBondContact O-N 2.97Å; F772-L775 VanDerWaalsContact O-N 3.11Å; R773-L775 VanDerWaalsContact C-N 3.29Å; R773-L775 PolarHBondContact O-N 2.76Å; L775-R779 WeakPolarHBondContact O-CB 3.34Å; L775-R779 WeakPolarHBondContact O-CG 3.09Å; L775-R779 PolarHBondContact O-N 3.31Å; L775-R779 VanDerWaalsContact O-N 3.09Å
776	D	27	Very low	28.5	Very low	85 Å²	85	106.9 Å²	106.9	46%	0.455	57%	0.57	S	S	.	*	H	α-helix	trans	-80.5	-32.5	-175.7	-87.9	-17.1	0	0	0	113.8	F772 R779 C780	F772-D776 PolarHBondContact O-N 2.74Å; D776-R779 PolarHBondContact O-N 3.02Å; D776-C780 WeakPolarHBondContact O-CB 3.44Å; D776-C780 PolarHBondContact O-N 3.04Å; D776-C780 PolarHBondContact O-SG 3.44Å
777	A	27.7	Very low	28.7	Very low	65 Å²	65	101.7 Å²	101.7	54%	0.537	55%	0.548	S	S	.	.	H	α-helix	trans	-67.3	-40.8	174.9	0	0	0	0	0	111.5	C780 S781	A777-C780 PolarHBondContact O-N 3.43Å; A777-S781 PolarHBondContact O-N 2.91Å; A777-S781 VanDerWaalsContact O-N 3.12Å
778	D	26.6	Very low	29	Very low	42 Å²	42	95 Å²	95	23%	0.225	52%	0.518	C	S	.	.	H	α-helix	trans	-69.1	-37.2	176.9	-79.7	32.3	0	0	0	112.4	Q25 R782	Q25-D778 VanDerWaalsContact CD-OD1 3.26Å; Q25-D778 PolarHBondContact NE2-OD1 2.66Å; Q25-D778 PolarHBondContact NE2-OD2 3.02Å; Q25-D778 PolarHBondContact OE1-OD1 2.86Å; Q25-D778 VanDerWaalsContact OE1-OD1 3.09Å; Q25-D778 PolarHBondContact OE1-OD2 2.75Å; D778-R782 PolarHBondContact O-N 3.23Å
779	R	25.6	Very low	29.5	Very low	169 Å²	169	98.2 Å²	98.2	64%	0.638	52%	0.515	S	S	*	.	H	α-helix	trans	-66.8	-40.3	171.6	-83.4	-179.2	170.9	-150.9	-2.7	111.2	L775 D776 S783	L775-R779 WeakPolarHBondContact O-CB 3.34Å; L775-R779 WeakPolarHBondContact O-CG 3.09Å; L775-R779 PolarHBondContact O-N 3.31Å; L775-R779 VanDerWaalsContact O-N 3.09Å; D776-R779 PolarHBondContact O-N 3.02Å; R779-S783 WeakPolarHBondContact O-CA 3.26Å; R779-S783 WeakPolarHBondContact O-CB 3.33Å; R779-S783 PolarHBondContact O-N 3.3Å; R779-S783 PolarHBondContact O-OG 3.28Å
780	C	26.7	Very low	30	Very low	86 Å²	86	94.2 Å²	94.2	58%	0.581	50%	0.496	S	S	*	.	H	α-helix	trans	-66.1	-41.7	-179.6	-72.5	0	0	0	0	112.1	D776 A777 Y784	D776-C780 WeakPolarHBondContact O-CB 3.44Å; D776-C780 PolarHBondContact O-N 3.04Å; D776-C780 PolarHBondContact O-SG 3.44Å; A777-C780 PolarHBondContact O-N 3.43Å; C780-Y784 WeakPolarHBondContact O-CB 3.37Å; C780-Y784 PolarHBondContact O-N 3.2Å
781	S	29.3	Very low	30.4	Very low	55 Å²	55	94 Å²	94	39%	0.385	48%	0.483	S	S	.	.	H	α-helix	trans	-68.5	-43.2	178.9	85.8	0	0	0	0	112.2	A777 Y784 S785	A777-S781 PolarHBondContact O-N 2.91Å; A777-S781 VanDerWaalsContact O-N 3.12Å; S781-Y784 PolarHBondContact O-N 2.51Å; S781-S785 WeakPolarHBondContact O-CB 3.27Å; S781-S785 PolarHBondContact O-N 3.24Å; S781-S785 PolarHBondContact O-OG 3.23Å; S781-S785 VanDerWaalsContact O-OG 3.14Å
782	R	27	Very low	30.8	Very low	140 Å²	140	93.5 Å²	93.5	53%	0.528	48%	0.476	S	S	.	.	H	α-helix	trans	-70.9	-39.5	177.6	-71.4	-177.4	-180	178.8	1.8	113	D778 Y784 A786	D778-R782 PolarHBondContact O-N 3.23Å; R782-Y784 VanDerWaalsContact C-N 3.34Å; R782-A786 WeakPolarHBondContact O-CB 3.42Å; R782-A786 PolarHBondContact O-N 3.08Å
783	S	31	Very low	31.6	Very low	71 Å²	71	90.9 Å²	90.9	50%	0.497	47%	0.466	S	S	.	.	H	α-helix	trans	-68.1	-37	176.6	-53	0	0	0	0	110.8	R779 L787	R779-S783 WeakPolarHBondContact O-CA 3.26Å; R779-S783 WeakPolarHBondContact O-CB 3.33Å; R779-S783 PolarHBondContact O-N 3.3Å; R779-S783 PolarHBondContact O-OG 3.28Å; S783-L787 WeakPolarHBondContact O-CA 3.46Å; S783-L787 WeakPolarHBondContact O-CB 3.4Å; S783-L787 PolarHBondContact O-N 3.31Å
784	Y	30.9	Very low	31.9	Very low	79 Å²	79	84.8 Å²	84.8	31%	0.31	45%	0.446	S	S	.	.	H	α-helix	trans	-67.2	-47.2	176.3	-179	-81.2	0	0	0	111.4	T576 K580 C780 S781 R782 L787 I788	T576-Y784 HydrophobicContact CG2-CE2 4.37Å; K580-Y784 HydrophobicContact CD-CE2 4.25Å; K580-Y784 WeakPolarHBondContact CE-OH 3.19Å; K580-Y784 VanDerWaalsContact NZ-CD1 3.32Å; K580-Y784 PolarHBondContact NZ-OH 3.19Å; C780-Y784 WeakPolarHBondContact O-CB 3.37Å; C780-Y784 PolarHBondContact O-N 3.2Å; S781-Y784 PolarHBondContact O-N 2.51Å; R782-Y784 VanDerWaalsContact C-N 3.34Å; Y784-L787 PolarHBondContact O-N 3.47Å; Y784-I788 HydrophobicContact CD1-CG1 4.27Å; Y784-I788 HydrophobicContact CE1-CG1 4.31Å; Y784-I788 WeakPolarHBondContact O-CB 3.49Å; Y784-I788 VanDerWaalsContact O-CG1 3.26Å; Y784-I788 WeakPolarHBondContact O-CG1 3.39Å; Y784-I788 PolarHBondContact O-N 3.13Å
785	S	34.7	Very low	32.3	Very low	63 Å²	63	83.4 Å²	83.4	44%	0.441	43%	0.434	S	S	.	.	H	α-helix	trans	-65.8	-40.1	175.9	-62.2	0	0	0	0	112.1	S781 R789	S781-S785 WeakPolarHBondContact O-CB 3.27Å; S781-S785 PolarHBondContact O-N 3.24Å; S781-S785 PolarHBondContact O-OG 3.23Å; S781-S785 VanDerWaalsContact O-OG 3.14Å; S785-R789 VanDerWaalsContact O-CB 3.25Å; S785-R789 WeakPolarHBondContact O-CB 3.46Å; S785-R789 PolarHBondContact O-N 3.16Å
786	A	35.1	Very low	33.1	Very low	50 Å²	50	82.4 Å²	82.4	41%	0.413	43%	0.428	S	S	.	.	H	α-helix	trans	-67.2	-39.7	175.2	0	0	0	0	0	112.2	R782 R789 Q790	R782-A786 WeakPolarHBondContact O-CB 3.42Å; R782-A786 PolarHBondContact O-N 3.08Å; A786-R789 PolarHBondContact O-N 2.91Å; A786-Q790 WeakPolarHBondContact O-CB 3.41Å; A786-Q790 WeakPolarHBondContact O-CG 3.45Å; A786-Q790 PolarHBondContact O-N 2.84Å
787	L	33.9	Very low	33.9	Very low	84 Å²	84	81.2 Å²	81.2	44%	0.44	42%	0.421	S	S	.	.	H	α-helix	trans	-67.1	-42.7	175.9	-171.7	89.5	0	0	0	110.8	S783 Y784 R789 Q790 I791	S783-L787 WeakPolarHBondContact O-CA 3.46Å; S783-L787 WeakPolarHBondContact O-CB 3.4Å; S783-L787 PolarHBondContact O-N 3.31Å; Y784-L787 PolarHBondContact O-N 3.47Å; L787-R789 VanDerWaalsContact C-N 3.35Å; L787-Q790 PolarHBondContact O-N 3.18Å; L787-I791 HydrophobicContact CD2-CD1 4.02Å; L787-I791 HydrophobicContact CG-CD1 3.88Å; L787-I791 HydrophobicContact CG-CG1 4.49Å; L787-I791 VanDerWaalsContact O-CB 3.25Å; L787-I791 WeakPolarHBondContact O-CB 3.35Å; L787-I791 WeakPolarHBondContact O-CD1 3.41Å; L787-I791 WeakPolarHBondContact O-CG1 3.42Å; L787-I791 PolarHBondContact O-N 3.34Å
788	I	34.7	Very low	34.5	Very low	24 Å²	24	82.8 Å²	82.8	12%	0.123	42%	0.421	C	S	.	.	H	α-helix	trans	-61.4	-46.1	173.8	-74	-58.3	0	0	0	110.5	K580 Y784 Q790 I791 Q792	K580-I788 HydrophobicContact CB-CD1 4.09Å; K580-I788 HydrophobicContact CD-CD1 3.48Å; K580-I788 VanDerWaalsContact CD-CD1 3.48Å; K580-I788 HydrophobicContact CD-CG1 4.36Å; K580-I788 VanDerWaalsContact CE-CD1 3.43Å; K580-I788 HydrophobicContact CG-CD1 4Å; Y784-I788 HydrophobicContact CD1-CG1 4.27Å; Y784-I788 HydrophobicContact CE1-CG1 4.31Å; Y784-I788 WeakPolarHBondContact O-CB 3.49Å; Y784-I788 VanDerWaalsContact O-CG1 3.26Å; Y784-I788 WeakPolarHBondContact O-CG1 3.39Å; Y784-I788 PolarHBondContact O-N 3.13Å; I788-Q790 PolarHBondContact O-N 3.42Å; I788-I791 PolarHBondContact O-N 2.97Å; I788-Q792 VanDerWaalsContact O-CB 3.31Å; I788-Q792 WeakPolarHBondContact O-CB 3.36Å; I788-Q792 PolarHBondContact O-N 3.41Å
789	R	37.2	Very low	35.6	Very low	164 Å²	164	85.3 Å²	85.3	62%	0.619	43%	0.427	S	S	*	.	H	α-helix	trans	-62.9	-41.7	176.8	-171	176	175.5	160	5.2	111.8	S785 A786 L787 Q792 E793	S785-R789 VanDerWaalsContact O-CB 3.25Å; S785-R789 WeakPolarHBondContact O-CB 3.46Å; S785-R789 PolarHBondContact O-N 3.16Å; A786-R789 PolarHBondContact O-N 2.91Å; L787-R789 VanDerWaalsContact C-N 3.35Å; R789-Q792 PolarHBondContact O-N 3.16Å; R789-E793 HydrophobicContact CG-CG 4.36Å; R789-E793 WeakPolarHBondContact CG-OE1 3.49Å; R789-E793 IonicContact CZ-OE1 2.83Å; R789-E793 IonicContact NE-OE1 3.58Å; R789-E793 PolarHBondContact NE-OE1 3.17Å; R789-E793 IonicContact NH2-OE1 3.46Å; R789-E793 WeakPolarHBondContact O-CB 3.38Å; R789-E793 VanDerWaalsContact O-CG 3.25Å; R789-E793 WeakPolarHBondContact O-CG 3.25Å; R789-E793 PolarHBondContact O-N 3.37Å
790	Q	37.1	Very low	36.9	Very low	114 Å²	114	81.2 Å²	81.2	53%	0.533	42%	0.422	S	S	.	.	H	α-helix	trans	-66.2	-36.7	173.7	-81.8	-176.4	-13.7	0	0	112.5	A786 L787 I788 H794	A786-Q790 WeakPolarHBondContact O-CB 3.41Å; A786-Q790 WeakPolarHBondContact O-CG 3.45Å; A786-Q790 PolarHBondContact O-N 2.84Å; L787-Q790 PolarHBondContact O-N 3.18Å; I788-Q790 PolarHBondContact O-N 3.42Å; Q790-H794 WeakPolarHBondContact O-CA 3.49Å; Q790-H794 WeakPolarHBondContact O-CB 3.31Å; Q790-H794 PolarHBondContact O-N 2.71Å
791	I	35.9	Very low	38.3	Very low	45 Å²	45	79 Å²	79	23%	0.231	41%	0.405	C	S	.	.	H	α-helix	trans	-67.1	-43.9	175.7	-78.5	165.9	0	0	0	110	K581 L787 I788 A795	K581-I791 HydrophobicContact CD-CG2 4.16Å; K581-I791 HydrophobicContact CG-CG2 3.7Å; L787-I791 HydrophobicContact CD2-CD1 4.02Å; L787-I791 HydrophobicContact CG-CD1 3.88Å; L787-I791 HydrophobicContact CG-CG1 4.49Å; L787-I791 VanDerWaalsContact O-CB 3.25Å; L787-I791 WeakPolarHBondContact O-CB 3.35Å; L787-I791 WeakPolarHBondContact O-CD1 3.41Å; L787-I791 WeakPolarHBondContact O-CG1 3.42Å; L787-I791 PolarHBondContact O-N 3.34Å; I788-I791 PolarHBondContact O-N 2.97Å; I791-A795 WeakPolarHBondContact O-CB 3.44Å; I791-A795 PolarHBondContact O-N 2.95Å
792	Q	36.7	Very low	39.6	Very low	115 Å²	115	77.7 Å²	77.7	54%	0.537	40%	0.397	S	S	.	.	H	α-helix	trans	-67.4	-47.7	177.2	-173	177.7	1.2	0	0	110.5	I788 R789 H794 A795 M796	I788-Q792 VanDerWaalsContact O-CB 3.31Å; I788-Q792 WeakPolarHBondContact O-CB 3.36Å; I788-Q792 PolarHBondContact O-N 3.41Å; R789-Q792 PolarHBondContact O-N 3.16Å; Q792-H794 PolarHBondContact O-N 2.77Å; Q792-A795 PolarHBondContact O-N 2.74Å; Q792-M796 VanDerWaalsContact O-CB 3.31Å; Q792-M796 WeakPolarHBondContact O-CB 3.17Å; Q792-M796 WeakPolarHBondContact O-CG 3.3Å; Q792-M796 PolarHBondContact O-N 3.39Å
793	E	41.7	Very low	41.1	Very low	88 Å²	88	72.8 Å²	72.8	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-59.3	-45.7	174.1	-77.1	173.6	-171.6	0	0	110.4	R789 M796 N797	R789-E793 HydrophobicContact CG-CG 4.36Å; R789-E793 WeakPolarHBondContact CG-OE1 3.49Å; R789-E793 IonicContact CZ-OE1 2.83Å; R789-E793 IonicContact NE-OE1 3.58Å; R789-E793 PolarHBondContact NE-OE1 3.17Å; R789-E793 IonicContact NH2-OE1 3.46Å; R789-E793 WeakPolarHBondContact O-CB 3.38Å; R789-E793 VanDerWaalsContact O-CG 3.25Å; R789-E793 WeakPolarHBondContact O-CG 3.25Å; R789-E793 PolarHBondContact O-N 3.37Å; E793-M796 PolarHBondContact O-N 2.92Å; E793-N797 WeakPolarHBondContact O-CA 3.47Å; E793-N797 WeakPolarHBondContact O-CB 3.4Å; E793-N797 PolarHBondContact O-N 3.02Å; E793-N797 PolarHBondContact O-ND2 2.83Å; E793-N797 VanDerWaalsContact O-ND2 3.14Å; E793-N797 PolarHBondContact O-OD1 3.14Å
794	H	35.7	Very low	42.5	Very low	69 Å²	69	70.5 Å²	70.5	32%	0.319	36%	0.36	S	S	.	.	H	α-helix	trans	-69.2	-36.5	177.1	-175.4	-91.7	0	0	0	113	Q790 Q792 N797 N798	Q790-H794 WeakPolarHBondContact O-CA 3.49Å; Q790-H794 WeakPolarHBondContact O-CB 3.31Å; Q790-H794 PolarHBondContact O-N 2.71Å; Q792-H794 PolarHBondContact O-N 2.77Å; H794-N797 PolarHBondContact O-N 2.94Å; H794-N798 PolarHBondContact CE1-ND2 3.4Å; H794-N798 PolarHBondContact ND1-ND2 3.26Å; H794-N798 PolarHBondContact NE2-ND2 3.34Å; H794-N798 VanDerWaalsContact NE2-ND2 3.19Å; H794-N798 VanDerWaalsContact O-CB 3.26Å; H794-N798 WeakPolarHBondContact O-CB 3.44Å; H794-N798 PolarHBondContact O-N 3.45Å
795	A	38.7	Very low	44	Very low	48 Å²	48	66.8 Å²	66.8	40%	0.397	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-44.1	174.2	0	0	0	0	0	110.5	I791 Q792 N798 R799	I791-A795 WeakPolarHBondContact O-CB 3.44Å; I791-A795 PolarHBondContact O-N 2.95Å; Q792-A795 PolarHBondContact O-N 2.74Å; A795-N798 PolarHBondContact O-N 3.21Å; A795-R799 WeakPolarHBondContact O-CG 3.16Å; A795-R799 PolarHBondContact O-N 2.9Å; A795-R799 VanDerWaalsContact O-N 3.17Å
796	M	42.8	Very low	45.3	Very low	75 Å²	75	64.9 Å²	64.9	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-39.1	174.3	-67.4	-62.3	-74.7	0	0	111.8	Q792 E793 N798 R799 F804	Q792-M796 VanDerWaalsContact O-CB 3.31Å; Q792-M796 WeakPolarHBondContact O-CB 3.17Å; Q792-M796 WeakPolarHBondContact O-CG 3.3Å; Q792-M796 PolarHBondContact O-N 3.39Å; E793-M796 PolarHBondContact O-N 2.92Å; M796-N798 VanDerWaalsContact C-N 3.31Å; M796-N798 PolarHBondContact O-N 3.15Å; M796-R799 PolarHBondContact O-N 2.87Å; M796-F804 HydrophobicContact CE-CE1 3.7Å; M796-F804 HydrophobicContact CE-CZ 3.88Å; M796-F804 WeakPolarHBondContact O-CZ 3.36Å
797	N	43.3	Very low	46.6	Very low	59 Å²	59	68.5 Å²	68.5	32%	0.316	33%	0.333	S	S	.	.	H	α-helix	trans	-71.9	-23.2	178.3	-68.2	-15.5	0	0	0	112.8	H505 E793 H794	H505-N797 PolarHBondContact CE1-O 2.96Å; H505-N797 VanDerWaalsContact CE1-O 3.22Å; H505-N797 WeakPolarHBondContact NE2-CA 3.35Å; H505-N797 PolarHBondContact NE2-O 3.37Å; E793-N797 WeakPolarHBondContact O-CA 3.47Å; E793-N797 WeakPolarHBondContact O-CB 3.4Å; E793-N797 PolarHBondContact O-N 3.02Å; E793-N797 PolarHBondContact O-ND2 2.83Å; E793-N797 VanDerWaalsContact O-ND2 3.14Å; E793-N797 PolarHBondContact O-OD1 3.14Å; H794-N797 PolarHBondContact O-N 2.94Å
798	N	39.4	Very low	48.1	Very low	98 Å²	98	64.9 Å²	64.9	52%	0.524	31%	0.314	S	S	.	.	H	α-helix	trans	-100.8	-1	177.8	-72.8	-0.5	0	0	0	114	H794 A795 M796	H794-N798 PolarHBondContact CE1-ND2 3.4Å; H794-N798 PolarHBondContact ND1-ND2 3.26Å; H794-N798 PolarHBondContact NE2-ND2 3.34Å; H794-N798 VanDerWaalsContact NE2-ND2 3.19Å; H794-N798 VanDerWaalsContact O-CB 3.26Å; H794-N798 WeakPolarHBondContact O-CB 3.44Å; H794-N798 PolarHBondContact O-N 3.45Å; A795-N798 PolarHBondContact O-N 3.21Å; M796-N798 VanDerWaalsContact C-N 3.31Å; M796-N798 PolarHBondContact O-N 3.15Å
799	R	49.9	Very low	49.6	Very low	96 Å²	96	63.8 Å²	63.8	36%	0.362	31%	0.309	S	S	.	.	S	Bend	trans	-59	136.6	166.4	-68	-169.4	-174.9	-131.6	1.6	107.8	A795 M796 L801 Y803 F804	A795-R799 WeakPolarHBondContact O-CG 3.16Å; A795-R799 PolarHBondContact O-N 2.9Å; A795-R799 VanDerWaalsContact O-N 3.17Å; M796-R799 PolarHBondContact O-N 2.87Å; R799-L801 PolarHBondContact O-N 2.88Å; R799-Y803 PolarHBondContact NH1-OH 3.07Å; R799-Y803 VanDerWaalsContact NH1-OH 3.09Å; R799-F804 HydrophobicContact CB-CE2 3.79Å; R799-F804 HydrophobicContact CB-CZ 4.18Å
800	P	53.7	Low	51	Low	82 Å²	82	56.7 Å²	56.7	53%	0.532	28%	0.282	S	S	.	.			trans	-55.3	134.3	173	23	-30.7	0	0	0	108	A802 Y803	P800-A802 HydrophobicContact CB-CB 4.43Å; P800-A802 PolarHBondContact O-N 3.38Å; P800-Y803 VanDerWaalsContact O-CB 3.26Å; P800-Y803 WeakPolarHBondContact O-CB 3.31Å; P800-Y803 PolarHBondContact O-N 2.93Å
801	L	55.2	Low	52.4	Low	40 Å²	40	54.6 Å²	54.6	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-54.5	-27.7	178.3	-74.3	172	0	0	0	112	Y460 L502 H505 R799 Y803 F804 A805	Y460-L801 HydrophobicContact CD1-CB 3.66Å; Y460-L801 HydrophobicContact CD1-CD1 4.44Å; Y460-L801 HydrophobicContact CE1-CB 3.9Å; Y460-L801 HydrophobicContact CE1-CD1 3.89Å; Y460-L801 HydrophobicContact CE1-CG 4.4Å; L502-L801 HydrophobicContact CD2-CB 4.32Å; L502-L801 HydrophobicContact CD2-CD2 3.82Å; H505-L801 HydrophobicContact CB-CD2 3.82Å; H505-L801 VanDerWaalsContact CG-CD2 3.49Å; H505-L801 VanDerWaalsContact ND1-CD2 3.31Å; H505-L801 WeakPolarHBondContact ND1-CD2 3.5Å; R799-L801 PolarHBondContact O-N 2.88Å; L801-Y803 VanDerWaalsContact C-N 3.27Å; L801-Y803 PolarHBondContact O-N 2.97Å; L801-F804 PolarHBondContact O-N 3.48Å; L801-A805 PolarHBondContact O-N 3.48Å
802	A	57.8	Low	53.9	Low	27 Å²	27	52.5 Å²	52.5	22%	0.223	26%	0.264	C	S	.	.	H	α-helix	trans	-53.1	-38.7	169.8	0	0	0	0	0	113.1	Y460 P800 F804 A805 E806	Y460-A802 WeakPolarHBondContact O-CB 3.5Å; P800-A802 HydrophobicContact CB-CB 4.43Å; P800-A802 PolarHBondContact O-N 3.38Å; A802-F804 PolarHBondContact O-N 2.96Å; A802-A805 PolarHBondContact O-N 3.19Å; A802-E806 WeakPolarHBondContact O-CB 3.38Å; A802-E806 VanDerWaalsContact O-CG 3.29Å; A802-E806 WeakPolarHBondContact O-CG 3.48Å; A802-E806 PolarHBondContact O-N 2.8Å
803	Y	58.4	Low	55.4	Low	37 Å²	37	47 Å²	47	15%	0.145	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-45.2	179.2	174.6	-90.7	0	0	0	112.4	R799 P800 L801 E806 R807	R799-Y803 PolarHBondContact NH1-OH 3.07Å; R799-Y803 VanDerWaalsContact NH1-OH 3.09Å; P800-Y803 VanDerWaalsContact O-CB 3.26Å; P800-Y803 WeakPolarHBondContact O-CB 3.31Å; P800-Y803 PolarHBondContact O-N 2.93Å; L801-Y803 VanDerWaalsContact C-N 3.27Å; L801-Y803 PolarHBondContact O-N 2.97Å; Y803-E806 PolarHBondContact O-N 3.18Å; Y803-R807 WeakPolarHBondContact O-CB 3.5Å; Y803-R807 PolarHBondContact O-N 3.24Å
804	F	60.3	Low	56.5	Low	24 Å²	24	46.6 Å²	46.6	11%	0.105	24%	0.242	C	C	.	.	H	α-helix	trans	-68.5	-39.8	179.4	-65.7	-74.2	0	0	0	111.3	L501 L502 M796 R799 L801 A802 A808	L501-F804 HydrophobicContact CD2-CB 4.19Å; L501-F804 HydrophobicContact CD2-CD1 3.82Å; L501-F804 HydrophobicContact CD2-CD2 4.19Å; L501-F804 HydrophobicContact CD2-CE1 4.21Å; L501-F804 HydrophobicContact CD2-CG 3.81Å; L502-F804 HydrophobicContact CD2-CB 4.22Å; M796-F804 HydrophobicContact CE-CE1 3.7Å; M796-F804 HydrophobicContact CE-CZ 3.88Å; M796-F804 WeakPolarHBondContact O-CZ 3.36Å; R799-F804 HydrophobicContact CB-CE2 3.79Å; R799-F804 HydrophobicContact CB-CZ 4.18Å; L801-F804 PolarHBondContact O-N 3.48Å; A802-F804 PolarHBondContact O-N 2.96Å; F804-A808 WeakPolarHBondContact O-CB 2.89Å; F804-A808 PolarHBondContact O-N 3.48Å
805	A	61.5	Low	57.9	Low	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-46	175	0	0	0	0	0	111.6	L456 Y460 L801 A802 A808 L809	L456-A805 HydrophobicContact CD2-CB 3.75Å; L456-A805 HydrophobicContact CG-CB 4.06Å; Y460-A805 HydrophobicContact CG-CB 4.3Å; L801-A805 PolarHBondContact O-N 3.48Å; A802-A805 PolarHBondContact O-N 3.19Å; A805-A808 PolarHBondContact O-N 3.31Å; A805-L809 VanDerWaalsContact O-CG 3.32Å; A805-L809 WeakPolarHBondContact O-CG 3.18Å; A805-L809 PolarHBondContact O-N 3Å; A805-L809 VanDerWaalsContact O-N 3.07Å
806	E	62.6	Low	59.3	Low	23 Å²	23	45.2 Å²	45.2	11%	0.107	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-48.2	177.2	-75.1	179.8	-174.1	0	0	111.9	I461 T467 A802 Y803 A808 L809 Y810 R825	I461-E806 HydrophobicContact CD1-CG 4.32Å; I461-E806 HydrophobicContact CG1-CG 4.4Å; T467-E806 HydrophobicContact CG2-CG 4.1Å; A802-E806 WeakPolarHBondContact O-CB 3.38Å; A802-E806 VanDerWaalsContact O-CG 3.29Å; A802-E806 WeakPolarHBondContact O-CG 3.48Å; A802-E806 PolarHBondContact O-N 2.8Å; Y803-E806 PolarHBondContact O-N 3.18Å; E806-A808 VanDerWaalsContact C-N 3.32Å; E806-A808 PolarHBondContact O-N 2.93Å; E806-L809 WeakPolarHBondContact O-CB 3.31Å; E806-L809 PolarHBondContact O-N 2.66Å; E806-L809 VanDerWaalsContact O-N 3.11Å; E806-Y810 HydrophobicContact CB-CE2 4.43Å; E806-Y810 WeakPolarHBondContact O-CD2 3.39Å; E806-Y810 PolarHBondContact O-N 3.26Å; E806-R825 IonicContact OE2-CZ 2.76Å; E806-R825 IonicContact OE2-NH1 3.95Å; E806-R825 PolarHBondContact OE2-NH1 3.28Å
807	R	61.5	Low	60.3	Low	127 Å²	127	44.9 Å²	44.9	48%	0.479	24%	0.243	S	C	.	.	H	α-helix	trans	-55.1	-49.1	176.6	178.1	175.9	178.9	150.8	6.2	111.2	Y803 L809 Y810 D811	Y803-R807 WeakPolarHBondContact O-CB 3.5Å; Y803-R807 PolarHBondContact O-N 3.24Å; R807-L809 VanDerWaalsContact C-N 3.28Å; R807-L809 PolarHBondContact O-N 3.48Å; R807-Y810 PolarHBondContact O-N 3.2Å; R807-Y810 VanDerWaalsContact O-N 3.12Å; R807-D811 WeakPolarHBondContact CG-OD2 3.46Å; R807-D811 IonicContact NE-OD2 2.98Å; R807-D811 VanDerWaalsContact O-CG 3.3Å; R807-D811 PolarHBondContact O-N 3.46Å
808	A	65.8	Low	61.6	Low	7 Å²	7	43 Å²	43	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-38.6	178.4	0	0	0	0	0	112.3	T498 F804 A805 E806 Y810 D811 I812	T498-A808 HydrophobicContact CG2-CB 3.55Å; T498-A808 WeakPolarHBondContact OG1-CB 3.39Å; F804-A808 WeakPolarHBondContact O-CB 2.89Å; F804-A808 PolarHBondContact O-N 3.48Å; A805-A808 PolarHBondContact O-N 3.31Å; E806-A808 VanDerWaalsContact C-N 3.32Å; E806-A808 PolarHBondContact O-N 2.93Å; A808-Y810 PolarHBondContact O-N 3.33Å; A808-D811 PolarHBondContact O-N 3.33Å; A808-I812 WeakPolarHBondContact O-CB 3.46Å; A808-I812 VanDerWaalsContact O-CD1 3.26Å; A808-I812 WeakPolarHBondContact O-CD1 3.15Å; A808-I812 WeakPolarHBondContact O-CG1 3.35Å; A808-I812 PolarHBondContact O-N 3.4Å
809	L	67	Low	62.9	Low	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-39.1	175.5	-72.1	166.4	0	0	0	112.6	L453 L456 I457 I461 W470 A471 A805 E806 R807 A813	L453-L809 HydrophobicContact CD2-CD2 3.68Å; L456-L809 HydrophobicContact CD2-CD1 3.89Å; L456-L809 HydrophobicContact CD2-CD2 4.07Å; L456-L809 HydrophobicContact CD2-CG 3.79Å; I457-L809 HydrophobicContact CD1-CD1 4.28Å; I457-L809 HydrophobicContact CD1-CD2 3.92Å; I457-L809 HydrophobicContact CG1-CD1 3.74Å; I457-L809 HydrophobicContact CG1-CD2 4.11Å; I461-L809 HydrophobicContact CD1-CD1 3.25Å; W470-L809 HydrophobicContact CH2-CB 4.31Å; W470-L809 HydrophobicContact CZ3-CB 4.03Å; A471-L809 HydrophobicContact CB-CD1 4.02Å; A805-L809 VanDerWaalsContact O-CG 3.32Å; A805-L809 WeakPolarHBondContact O-CG 3.18Å; A805-L809 PolarHBondContact O-N 3Å; A805-L809 VanDerWaalsContact O-N 3.07Å; E806-L809 WeakPolarHBondContact O-CB 3.31Å; E806-L809 PolarHBondContact O-N 2.66Å; E806-L809 VanDerWaalsContact O-N 3.11Å; R807-L809 VanDerWaalsContact C-N 3.28Å; R807-L809 PolarHBondContact O-N 3.48Å; L809-A813 VanDerWaalsContact O-CB 3.31Å; L809-A813 WeakPolarHBondContact O-CB 3.48Å; L809-A813 PolarHBondContact O-N 3.44Å
810	Y	65.7	Low	63.4	Low	16 Å²	16	41 Å²	41	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-69.3	-45.3	175.6	-74	-70.6	0	0	0	111.9	W470 E806 R807 A808 I812 A813 V814 V820 R825	W470-Y810 AromaticContact CH2-CD1 3.69Å; W470-Y810 HydrophobicContact CH2-CD1 3.69Å; W470-Y810 AromaticContact CH2-CE1 3.71Å; W470-Y810 HydrophobicContact CH2-CE1 3.71Å; W470-Y810 HydrophobicContact CH2-CG 4.24Å; W470-Y810 HydrophobicContact CZ2-CD1 4.16Å; W470-Y810 HydrophobicContact CZ2-CE1 4.06Å; W470-Y810 HydrophobicContact CZ3-CD1 4.29Å; W470-Y810 AromaticContact CZ3-CE1 3.98Å; W470-Y810 HydrophobicContact CZ3-CE1 3.98Å; W470-Y810 HydrophobicContact CZ3-CE2 4.44Å; E806-Y810 HydrophobicContact CB-CE2 4.43Å; E806-Y810 WeakPolarHBondContact O-CD2 3.39Å; E806-Y810 PolarHBondContact O-N 3.26Å; R807-Y810 PolarHBondContact O-N 3.2Å; R807-Y810 VanDerWaalsContact O-N 3.12Å; A808-Y810 PolarHBondContact O-N 3.33Å; Y810-I812 VanDerWaalsContact C-N 3.27Å; Y810-I812 PolarHBondContact O-N 3.5Å; Y810-A813 WeakPolarHBondContact O-CB 3.5Å; Y810-A813 PolarHBondContact O-N 3.21Å; Y810-A813 VanDerWaalsContact O-N 3.07Å; Y810-V814 WeakPolarHBondContact O-CG2 3.39Å; Y810-V814 PolarHBondContact O-N 3.31Å; Y810-V820 HydrophobicContact CD1-CG1 3.54Å; Y810-V820 HydrophobicContact CD1-CG2 4.37Å; Y810-V820 HydrophobicContact CE1-CG1 3.56Å; Y810-R825 HydrophobicContact CE1-CB 4.12Å; Y810-R825 HydrophobicContact CE1-CG 4.16Å; Y810-R825 VanDerWaalsContact CE2-CD 3.41Å; Y810-R825 HydrophobicContact CE2-CG 4.08Å
811	D	66.8	Low	63.9	Low	69 Å²	69	40.7 Å²	40.7	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-58.5	-42.6	177.5	-66.8	-15.3	0	0	0	110.3	R807 A808 V814 E815	R807-D811 WeakPolarHBondContact CG-OD2 3.46Å; R807-D811 IonicContact NE-OD2 2.98Å; R807-D811 VanDerWaalsContact O-CG 3.3Å; R807-D811 PolarHBondContact O-N 3.46Å; A808-D811 PolarHBondContact O-N 3.33Å; D811-V814 PolarHBondContact O-N 3.46Å; D811-E815 WeakPolarHBondContact O-CB 3.46Å; D811-E815 PolarHBondContact O-N 3.01Å
812	I	67.6	Low	64.1	Low	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-43.2	173.8	-67.9	164.1	0	0	0	111.6	L453 I478 V491 L495 A808 Y810 V814 E815 L816	L453-I812 HydrophobicContact CD2-CD1 4Å; I478-I812 HydrophobicContact CD1-CG2 4.26Å; V491-I812 HydrophobicContact CG1-CG1 4.25Å; V491-I812 HydrophobicContact CG1-CG2 3.92Å; L495-I812 HydrophobicContact CD1-CD1 4.16Å; L495-I812 HydrophobicContact CD2-CD1 3.43Å; L495-I812 VanDerWaalsContact CD2-CD1 3.43Å; L495-I812 HydrophobicContact CG-CD1 3.54Å; A808-I812 WeakPolarHBondContact O-CB 3.46Å; A808-I812 VanDerWaalsContact O-CD1 3.26Å; A808-I812 WeakPolarHBondContact O-CD1 3.15Å; A808-I812 WeakPolarHBondContact O-CG1 3.35Å; A808-I812 PolarHBondContact O-N 3.4Å; Y810-I812 VanDerWaalsContact C-N 3.27Å; Y810-I812 PolarHBondContact O-N 3.5Å; I812-V814 VanDerWaalsContact C-N 3.33Å; I812-V814 PolarHBondContact O-N 3.43Å; I812-E815 PolarHBondContact O-N 2.95Å; I812-L816 HydrophobicContact CG2-CD1 3.64Å; I812-L816 HydrophobicContact CG2-CG 4.28Å; I812-L816 VanDerWaalsContact O-CB 3.3Å; I812-L816 WeakPolarHBondContact O-CB 3.4Å; I812-L816 WeakPolarHBondContact O-CG 3.32Å; I812-L816 PolarHBondContact O-N 3.1Å
813	A	67.3	Low	64.1	Low	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-41.1	178.8	0	0	0	0	0	111.7	W470 L474 L809 Y810 L816 G817 C818 V820	W470-A813 HydrophobicContact CH2-CB 4.08Å; W470-A813 HydrophobicContact CZ2-CB 3.87Å; L474-A813 HydrophobicContact CD1-CB 4.07Å; L474-A813 HydrophobicContact CD2-CB 4.08Å; L809-A813 VanDerWaalsContact O-CB 3.31Å; L809-A813 WeakPolarHBondContact O-CB 3.48Å; L809-A813 PolarHBondContact O-N 3.44Å; Y810-A813 WeakPolarHBondContact O-CB 3.5Å; Y810-A813 PolarHBondContact O-N 3.21Å; Y810-A813 VanDerWaalsContact O-N 3.07Å; A813-L816 PolarHBondContact O-N 3.46Å; A813-G817 PolarHBondContact O-N 2.85Å; A813-G817 VanDerWaalsContact O-N 3.14Å; A813-C818 HydrophobicContact CB-CB 4.14Å; A813-C818 WeakPolarHBondContact O-CB 3.47Å; A813-C818 PolarHBondContact O-N 3.46Å; A813-V820 HydrophobicContact CB-CG2 3.76Å
814	V	64.8	Low	64	Low	80 Å²	80	49.8 Å²	49.8	49%	0.485	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-48.5	175.9	173.2	0	0	0	0	111	Y810 D811 I812 L816 G817 V820 W822	Y810-V814 WeakPolarHBondContact O-CG2 3.39Å; Y810-V814 PolarHBondContact O-N 3.31Å; D811-V814 PolarHBondContact O-N 3.46Å; I812-V814 VanDerWaalsContact C-N 3.33Å; I812-V814 PolarHBondContact O-N 3.43Å; V814-L816 PolarHBondContact O-N 3.1Å; V814-G817 PolarHBondContact O-N 3.21Å; V814-V820 HydrophobicContact CG2-CG2 4.47Å; V814-W822 HydrophobicContact CG2-CH2 3.76Å; V814-W822 HydrophobicContact CG2-CZ2 3.79Å
815	E	66.1	Low	63.8	Low	72 Å²	72	49.4 Å²	49.4	34%	0.336	27%	0.265	S	S	.	.	H	α-helix	trans	-60	-31.1	178.1	-172	71.7	-170.1	0	0	112.1	T487 N490 V491 D811 I812	T487-E815 HydrophobicContact CG2-CG 4.28Å; N490-E815 PolarHBondContact ND2-OE1 3.25Å; V491-E815 HydrophobicContact CG2-CB 4.39Å; V491-E815 HydrophobicContact CG2-CG 3.94Å; D811-E815 WeakPolarHBondContact O-CB 3.46Å; D811-E815 PolarHBondContact O-N 3.01Å; I812-E815 PolarHBondContact O-N 2.95Å
816	L	67.3	Low	63.3	Low	16 Å²	16	53 Å²	53	8%	0.084	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.1	176.7	-66.7	177	0	0	0	114	L446 I478 M481 V483 T487 V491 I812 A813 V814 C818	L446-L816 HydrophobicContact CD1-CD1 4.05Å; L446-L816 HydrophobicContact CD1-CD2 3.55Å; I478-L816 HydrophobicContact CD1-CD1 3.54Å; I478-L816 HydrophobicContact CG1-CD1 3.64Å; M481-L816 HydrophobicContact CE-CB 4.28Å; M481-L816 WeakPolarHBondContact CE-O 3.4Å; V483-L816 HydrophobicContact CG1-CD2 3.75Å; T487-L816 HydrophobicContact CG2-CD2 3.94Å; V491-L816 HydrophobicContact CG2-CD2 3.99Å; V491-L816 HydrophobicContact CG2-CG 4.15Å; I812-L816 HydrophobicContact CG2-CD1 3.64Å; I812-L816 HydrophobicContact CG2-CG 4.28Å; I812-L816 VanDerWaalsContact O-CB 3.3Å; I812-L816 WeakPolarHBondContact O-CB 3.4Å; I812-L816 WeakPolarHBondContact O-CG 3.32Å; I812-L816 PolarHBondContact O-N 3.1Å; A813-L816 PolarHBondContact O-N 3.46Å; V814-L816 PolarHBondContact O-N 3.1Å; L816-C818 PolarHBondContact O-N 2.81Å
817	G	65.3	Low	63	Low	67 Å²	67	56.6 Å²	56.6	69%	0.691	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	25.9	-175.3	0	0	0	0	0	113.7	A813 V814	A813-G817 PolarHBondContact O-N 2.85Å; A813-G817 VanDerWaalsContact O-N 3.14Å; V814-G817 PolarHBondContact O-N 3.21Å
818	C	70.6	Confident	62.5	Low	21 Å²	21	52.3 Å²	52.3	14%	0.142	29%	0.29	C	S	.	.			trans	-74.4	149.2	175.9	-67.7	0	0	0	0	110.8	L474 A813 L816 V820	L474-C818 HydrophobicContact CD1-CB 3.64Å; A813-C818 HydrophobicContact CB-CB 4.14Å; A813-C818 WeakPolarHBondContact O-CB 3.47Å; A813-C818 PolarHBondContact O-N 3.46Å; L816-C818 PolarHBondContact O-N 2.81Å; C818-V820 PolarHBondContact O-N 3.32Å
819	T	65.9	Low	61.8	Low	134 Å²	134	54.5 Å²	54.5	82%	0.822	30%	0.301	S	S	*	.			trans	-68.7	116	174.9	52.1	0	0	0	0	110.4
820	V	60.7	Low	60.9	Low	18 Å²	18	56.7 Å²	56.7	11%	0.109	32%	0.316	C	S	.	.			trans	-98.9	130	174.7	176	0	0	0	0	108.9	W470 Y810 A813 V814 C818 W822	W470-V820 HydrophobicContact CZ2-CG2 4.31Å; Y810-V820 HydrophobicContact CD1-CG1 3.54Å; Y810-V820 HydrophobicContact CD1-CG2 4.37Å; Y810-V820 HydrophobicContact CE1-CG1 3.56Å; A813-V820 HydrophobicContact CB-CG2 3.76Å; V814-V820 HydrophobicContact CG2-CG2 4.47Å; C818-V820 PolarHBondContact O-N 3.32Å; V820-W822 VanDerWaalsContact C-N 3.32Å; V820-W822 HydrophobicContact CB-CD2 4.11Å; V820-W822 HydrophobicContact CB-CG 4.49Å; V820-W822 HydrophobicContact CB-CH2 4.48Å; V820-W822 HydrophobicContact CB-CZ2 3.88Å; V820-W822 HydrophobicContact CG1-CD2 3.62Å; V820-W822 HydrophobicContact CG1-CE3 3.81Å; V820-W822 HydrophobicContact CG1-CG 4.15Å; V820-W822 HydrophobicContact CG1-CH2 4.09Å; V820-W822 HydrophobicContact CG1-CZ2 3.91Å; V820-W822 HydrophobicContact CG1-CZ3 4.04Å; V820-W822 HydrophobicContact CG2-CZ2 4.15Å; V820-W822 PolarHBondContact O-N 2.88Å
821	N	62.8	Low	60.4	Low	75 Å²	75	60.1 Å²	60.1	40%	0.401	34%	0.335	S	S	.	.			trans	-78.1	85.4	170	-172.1	2.3	0	0	0	109.5	D823 E824 R825	N821-D823 VanDerWaalsContact C-N 3.28Å; N821-D823 PolarHBondContact O-N 3.4Å; N821-E824 HydrophobicContact CB-CB 4.33Å; N821-E824 WeakPolarHBondContact ND2-CB 3.14Å; N821-E824 PolarHBondContact ND2-OE2 3.15Å; N821-E824 VanDerWaalsContact ND2-OE2 3.16Å; N821-E824 PolarHBondContact O-N 3.14Å; N821-R825 PolarHBondContact O-N 3.04Å
822	W	60.1	Low	59.6	Low	126 Å²	126	60.3 Å²	60.3	48%	0.477	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-31.3	-175.4	-67.8	111.6	0	0	0	113.5	V814 V820 R825 F826	V814-W822 HydrophobicContact CG2-CH2 3.76Å; V814-W822 HydrophobicContact CG2-CZ2 3.79Å; V820-W822 VanDerWaalsContact C-N 3.32Å; V820-W822 HydrophobicContact CB-CD2 4.11Å; V820-W822 HydrophobicContact CB-CG 4.49Å; V820-W822 HydrophobicContact CB-CH2 4.48Å; V820-W822 HydrophobicContact CB-CZ2 3.88Å; V820-W822 HydrophobicContact CG1-CD2 3.62Å; V820-W822 HydrophobicContact CG1-CE3 3.81Å; V820-W822 HydrophobicContact CG1-CG 4.15Å; V820-W822 HydrophobicContact CG1-CH2 4.09Å; V820-W822 HydrophobicContact CG1-CZ2 3.91Å; V820-W822 HydrophobicContact CG1-CZ3 4.04Å; V820-W822 HydrophobicContact CG2-CZ2 4.15Å; V820-W822 PolarHBondContact O-N 2.88Å; W822-R825 PolarHBondContact O-N 2.93Å; W822-F826 WeakPolarHBondContact O-CB 3.47Å; W822-F826 PolarHBondContact O-N 3.13Å
823	D	57.1	Low	58.6	Low	116 Å²	116	63.1 Å²	63.1	62%	0.62	35%	0.349	S	S	*	.	H	α-helix	trans	-63.9	-45.2	179.4	-64.3	-33.1	0	0	0	110.9	N821 F826 D827	N821-D823 VanDerWaalsContact C-N 3.28Å; N821-D823 PolarHBondContact O-N 3.4Å; D823-F826 WeakPolarHBondContact O-CB 3.05Å; D823-F826 PolarHBondContact O-N 2.65Å; D823-D827 PolarHBondContact O-N 3.42Å
824	E	57.2	Low	57.8	Low	52 Å²	52	68.8 Å²	68.8	24%	0.243	37%	0.373	C	S	.	.	H	α-helix	trans	-67.5	-37.8	177.8	-169.8	-170.8	148.1	0	0	112.4	S466 N821 F826 D827 S828	S466-E824 WeakPolarHBondContact CB-OE1 3.35Å; S466-E824 PolarHBondContact OG-OE1 2.69Å; N821-E824 HydrophobicContact CB-CB 4.33Å; N821-E824 WeakPolarHBondContact ND2-CB 3.14Å; N821-E824 PolarHBondContact ND2-OE2 3.15Å; N821-E824 VanDerWaalsContact ND2-OE2 3.16Å; N821-E824 PolarHBondContact O-N 3.14Å; E824-F826 VanDerWaalsContact C-N 3.3Å; E824-F826 PolarHBondContact O-N 3.14Å; E824-D827 PolarHBondContact O-N 2.98Å; E824-S828 PolarHBondContact O-N 3.26Å
825	R	55.3	Low	57.1	Low	17 Å²	17	69.3 Å²	69.3	6%	0.064	37%	0.373	C	S	.	.	H	α-helix	trans	-63.7	-39.8	173.5	-178.9	49.6	171	-179.1	0.4	111	E806 Y810 N821 W822 S828 L829	E806-R825 IonicContact OE2-CZ 2.76Å; E806-R825 IonicContact OE2-NH1 3.95Å; E806-R825 PolarHBondContact OE2-NH1 3.28Å; Y810-R825 HydrophobicContact CE1-CB 4.12Å; Y810-R825 HydrophobicContact CE1-CG 4.16Å; Y810-R825 VanDerWaalsContact CE2-CD 3.41Å; Y810-R825 HydrophobicContact CE2-CG 4.08Å; N821-R825 PolarHBondContact O-N 3.04Å; W822-R825 PolarHBondContact O-N 2.93Å; R825-S828 PolarHBondContact O-N 3.42Å; R825-L829 HydrophobicContact CG-CD1 4.01Å; R825-L829 WeakPolarHBondContact O-CB 3.35Å; R825-L829 WeakPolarHBondContact O-CG 3.3Å; R825-L829 PolarHBondContact O-N 3.02Å
826	F	51	Low	56.1	Low	75 Å²	75	67.1 Å²	67.1	33%	0.329	37%	0.368	S	S	.	.	H	α-helix	trans	-65.6	-44.9	176.8	-177.2	-95.1	0	0	0	111.7	W593 W822 D823 E824 S828 L829 S830	W593-F826 AromaticContact CH2-CD2 3.47Å; W593-F826 HydrophobicContact CH2-CD2 3.47Å; W593-F826 VanDerWaalsContact CH2-CD2 3.47Å; W593-F826 AromaticContact CH2-CE2 3.97Å; W593-F826 HydrophobicContact CH2-CE2 3.97Å; W593-F826 HydrophobicContact CH2-CG 4.35Å; W593-F826 HydrophobicContact CZ2-CD2 4.46Å; W593-F826 AromaticContact CZ3-CD2 3.73Å; W593-F826 HydrophobicContact CZ3-CD2 3.73Å; W593-F826 AromaticContact CZ3-CE2 3.74Å; W593-F826 HydrophobicContact CZ3-CE2 3.74Å; W822-F826 WeakPolarHBondContact O-CB 3.47Å; W822-F826 PolarHBondContact O-N 3.13Å; D823-F826 WeakPolarHBondContact O-CB 3.05Å; D823-F826 PolarHBondContact O-N 2.65Å; E824-F826 VanDerWaalsContact C-N 3.3Å; E824-F826 PolarHBondContact O-N 3.14Å; F826-S828 VanDerWaalsContact C-N 3.26Å; F826-S828 PolarHBondContact O-N 2.83Å; F826-L829 PolarHBondContact O-N 2.89Å; F826-S830 WeakPolarHBondContact O-CB 3.48Å; F826-S830 PolarHBondContact O-N 2.79Å
827	D	57.2	Low	55	Low	98 Å²	98	73.7 Å²	73.7	52%	0.524	39%	0.391	S	S	.	.	H	α-helix	trans	-57.9	-41.6	175.7	-78.6	-18.3	0	0	0	111.3	D823 E824 N831	D823-D827 PolarHBondContact O-N 3.42Å; E824-D827 PolarHBondContact O-N 2.98Å; D827-N831 VanDerWaalsContact O-CB 3.26Å; D827-N831 WeakPolarHBondContact O-CB 3.26Å; D827-N831 PolarHBondContact O-N 3.05Å; D827-N831 PolarHBondContact O-ND2 3.27Å
828	S	51.9	Low	54.3	Low	37 Å²	37	74.6 Å²	74.6	26%	0.259	38%	0.378	S	S	.	.	H	α-helix	trans	-62.2	-51.9	174.4	-170.5	0	0	0	0	112	E824 R825 F826 S830 N831 E832	E824-S828 PolarHBondContact O-N 3.26Å; R825-S828 PolarHBondContact O-N 3.42Å; F826-S828 VanDerWaalsContact C-N 3.26Å; F826-S828 PolarHBondContact O-N 2.83Å; S828-S830 PolarHBondContact O-N 2.86Å; S828-N831 PolarHBondContact O-N 3.26Å; S828-E832 WeakPolarHBondContact O-CG 3.11Å; S828-E832 PolarHBondContact O-N 3.03Å
829	L	49.6	Very low	53.1	Low	54 Å²	54	79.9 Å²	79.9	28%	0.283	40%	0.4	S	S	.	.	H	α-helix	trans	-63.3	-39.1	179.8	-74.2	169.8	0	0	0	112.8	R825 F826 E832 L833	R825-L829 HydrophobicContact CG-CD1 4.01Å; R825-L829 WeakPolarHBondContact O-CB 3.35Å; R825-L829 WeakPolarHBondContact O-CG 3.3Å; R825-L829 PolarHBondContact O-N 3.02Å; F826-L829 PolarHBondContact O-N 2.89Å; L829-E832 PolarHBondContact O-N 3.37Å; L829-L833 WeakPolarHBondContact O-CB 3.4Å; L829-L833 PolarHBondContact O-N 3.03Å
830	S	48.3	Very low	52	Low	46 Å²	46	76.6 Å²	76.6	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-67.4	-39.6	176.6	-180	0	0	0	0	110.8	F826 S828 L833 K834	F826-S830 WeakPolarHBondContact O-CB 3.48Å; F826-S830 PolarHBondContact O-N 2.79Å; S828-S830 PolarHBondContact O-N 2.86Å; S830-L833 PolarHBondContact O-N 2.76Å; S830-K834 WeakPolarHBondContact O-CB 3.36Å; S830-K834 PolarHBondContact O-N 3.17Å
831	N	56	Low	51.2	Low	89 Å²	89	78.5 Å²	78.5	48%	0.476	38%	0.381	S	S	.	.	H	α-helix	trans	-65.9	-40.9	172.9	-75.5	-36.8	0	0	0	111.8	D827 S828 K834 N835	D827-N831 VanDerWaalsContact O-CB 3.26Å; D827-N831 WeakPolarHBondContact O-CB 3.26Å; D827-N831 PolarHBondContact O-N 3.05Å; D827-N831 PolarHBondContact O-ND2 3.27Å; S828-N831 PolarHBondContact O-N 3.26Å; N831-K834 PolarHBondContact O-N 3.21Å; N831-N835 WeakPolarHBondContact O-CB 3.47Å; N831-N835 PolarHBondContact O-N 2.93Å; N831-N835 PolarHBondContact O-ND2 3.01Å
832	E	48.7	Very low	50.4	Low	73 Å²	73	80.6 Å²	80.6	34%	0.341	39%	0.391	S	S	.	.	H	α-helix	trans	-59.6	-46.2	172.2	-74	-177.9	-176.1	0	0	111.6	S828 L829 N835 A836	S828-E832 WeakPolarHBondContact O-CG 3.11Å; S828-E832 PolarHBondContact O-N 3.03Å; L829-E832 PolarHBondContact O-N 3.37Å; E832-N835 PolarHBondContact O-N 3.29Å; E832-A836 WeakPolarHBondContact O-CB 3.43Å; E832-A836 PolarHBondContact O-N 3.04Å
833	L	46.8	Very low	49.6	Very low	60 Å²	60	78.4 Å²	78.4	31%	0.314	39%	0.388	S	S	.	.	H	α-helix	trans	-63.6	-42.6	177	-173.5	71.9	0	0	0	111.6	Y586 L829 S830 A836 W837	Y586-L833 HydrophobicContact CD1-CD1 4.16Å; Y586-L833 HydrophobicContact CE1-CD1 3.32Å; Y586-L833 HydrophobicContact CE1-CD2 4.02Å; Y586-L833 HydrophobicContact CE1-CG 4.25Å; Y586-L833 WeakPolarHBondContact OH-CD1 3.3Å; L829-L833 WeakPolarHBondContact O-CB 3.4Å; L829-L833 PolarHBondContact O-N 3.03Å; S830-L833 PolarHBondContact O-N 2.76Å; L833-A836 CarbonylContact O-C 3.12Å; L833-A836 WeakPolarHBondContact O-CB 3.47Å; L833-A836 PolarHBondContact O-N 3.32Å; L833-W837 WeakPolarHBondContact O-CB 3.41Å; L833-W837 PolarHBondContact O-N 3.03Å
834	K	51.1	Low	48.7	Very low	119 Å²	119	76.2 Å²	76.2	52%	0.517	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-41.9	178.1	-176	179	179.2	-179.9	0	111.3	S830 N831 W837 Q838	S830-K834 WeakPolarHBondContact O-CB 3.36Å; S830-K834 PolarHBondContact O-N 3.17Å; N831-K834 PolarHBondContact O-N 3.21Å; K834-W837 PolarHBondContact O-N 3.48Å; K834-Q838 WeakPolarHBondContact O-CG 3.4Å; K834-Q838 PolarHBondContact O-N 3.39Å
835	N	50.3	Low	48.1	Very low	90 Å²	90	80.7 Å²	80.7	48%	0.481	39%	0.39	S	S	.	.	H	α-helix	trans	-62.9	-44.8	174.3	-70.1	-18.8	0	0	0	110.4	N831 E832 W837 Q838 E839	N831-N835 WeakPolarHBondContact O-CB 3.47Å; N831-N835 PolarHBondContact O-N 2.93Å; N831-N835 PolarHBondContact O-ND2 3.01Å; E832-N835 PolarHBondContact O-N 3.29Å; N835-W837 VanDerWaalsContact C-N 3.33Å; N835-W837 PolarHBondContact O-N 3.21Å; N835-Q838 PolarHBondContact O-N 2.76Å; N835-E839 WeakPolarHBondContact O-CG 3.41Å; N835-E839 PolarHBondContact O-N 3.1Å
836	A	46	Very low	47.6	Very low	27 Å²	27	83.7 Å²	83.7	22%	0.223	41%	0.405	C	S	.	.	H	α-helix	trans	-58.2	-46.3	172.3	0	0	0	0	0	110.7	E832 L833 Q838 E839 W840	E832-A836 WeakPolarHBondContact O-CB 3.43Å; E832-A836 PolarHBondContact O-N 3.04Å; L833-A836 CarbonylContact O-C 3.12Å; L833-A836 WeakPolarHBondContact O-CB 3.47Å; L833-A836 PolarHBondContact O-N 3.32Å; A836-Q838 VanDerWaalsContact C-N 3.34Å; A836-Q838 PolarHBondContact O-N 3.2Å; A836-E839 WeakPolarHBondContact O-CB 3.49Å; A836-E839 PolarHBondContact O-N 2.92Å; A836-W840 WeakPolarHBondContact O-CB 3.45Å; A836-W840 PolarHBondContact O-N 3.46Å
837	W	43.7	Very low	47.1	Very low	153 Å²	153	86.3 Å²	86.3	58%	0.58	42%	0.416	S	S	*	.	H	α-helix	trans	-62.4	-38.6	178.3	-171.6	83.3	0	0	0	112.7	L833 K834 N835 W840 E841	L833-W837 WeakPolarHBondContact O-CB 3.41Å; L833-W837 PolarHBondContact O-N 3.03Å; K834-W837 PolarHBondContact O-N 3.48Å; N835-W837 VanDerWaalsContact C-N 3.33Å; N835-W837 PolarHBondContact O-N 3.21Å; W837-W840 CarbonylContact O-C 3.58Å; W837-W840 WeakPolarHBondContact O-CB 3.32Å; W837-W840 PolarHBondContact O-N 3.48Å; W837-E841 HydrophobicContact CH2-CG 4.44Å; W837-E841 HydrophobicContact CZ3-CB 4.43Å; W837-E841 VanDerWaalsContact CZ3-OE2 3.25Å; W837-E841 WeakPolarHBondContact CZ3-OE2 3.48Å; W837-E841 WeakPolarHBondContact O-CB 3.49Å; W837-E841 PolarHBondContact O-N 3.47Å
838	Q	49.9	Very low	46.2	Very low	87 Å²	87	85 Å²	85	41%	0.407	41%	0.409	S	S	.	.	H	α-helix	trans	-66.6	-41.6	174.3	-74.7	179.5	-8.8	0	0	112.3	K834 N835 A836 W840 E841 L842	K834-Q838 WeakPolarHBondContact O-CG 3.4Å; K834-Q838 PolarHBondContact O-N 3.39Å; N835-Q838 PolarHBondContact O-N 2.76Å; A836-Q838 VanDerWaalsContact C-N 3.34Å; A836-Q838 PolarHBondContact O-N 3.2Å; Q838-W840 VanDerWaalsContact C-N 3.26Å; Q838-W840 PolarHBondContact O-N 2.78Å; Q838-E841 PolarHBondContact O-N 2.95Å; Q838-L842 WeakPolarHBondContact O-CB 3.21Å; Q838-L842 PolarHBondContact O-N 3Å
839	E	46.4	Very low	45.5	Very low	131 Å²	131	88.8 Å²	88.8	61%	0.612	43%	0.426	S	S	*	.	H	α-helix	trans	-59.9	-40.3	171.8	-72.8	-175.4	172.3	0	0	111	N835 A836 I843	N835-E839 WeakPolarHBondContact O-CG 3.41Å; N835-E839 PolarHBondContact O-N 3.1Å; A836-E839 WeakPolarHBondContact O-CB 3.49Å; A836-E839 PolarHBondContact O-N 2.92Å; E839-I843 WeakPolarHBondContact O-CD1 3.28Å; E839-I843 WeakPolarHBondContact O-CG1 3.41Å; E839-I843 PolarHBondContact O-N 2.79Å
840	W	41.8	Very low	44.8	Very low	65 Å²	65	95.3 Å²	95.3	25%	0.246	45%	0.447	C	S	.	.	H	α-helix	trans	-66.8	-45.4	175.3	-83.5	63.1	0	0	0	112.5	K581 L582 A836 W837 Q838 L842 I843 I844	K581-W840 HydrophobicContact CB-CH2 3.96Å; K581-W840 HydrophobicContact CB-CZ2 4.11Å; L582-W840 HydrophobicContact CB-CH2 4.04Å; L582-W840 HydrophobicContact CB-CZ2 3.6Å; L582-W840 HydrophobicContact CD1-CZ2 4Å; L582-W840 HydrophobicContact CD2-CZ2 4.21Å; L582-W840 HydrophobicContact CG-CZ2 4.14Å; A836-W840 WeakPolarHBondContact O-CB 3.45Å; A836-W840 PolarHBondContact O-N 3.46Å; W837-W840 CarbonylContact O-C 3.58Å; W837-W840 WeakPolarHBondContact O-CB 3.32Å; W837-W840 PolarHBondContact O-N 3.48Å; Q838-W840 VanDerWaalsContact C-N 3.26Å; Q838-W840 PolarHBondContact O-N 2.78Å; W840-L842 VanDerWaalsContact C-N 3.27Å; W840-L842 PolarHBondContact O-N 3.25Å; W840-I843 PolarHBondContact O-N 3.36Å; W840-I843 VanDerWaalsContact O-N 3.13Å; W840-I844 WeakPolarHBondContact O-CB 3.43Å; W840-I844 WeakPolarHBondContact O-CG1 3.46Å; W840-I844 PolarHBondContact O-N 3Å
841	E	43.1	Very low	44.3	Very low	59 Å²	59	100.5 Å²	100.5	28%	0.276	47%	0.471	S	S	.	.	H	α-helix	trans	-61	-39.2	177.4	-169.6	-178.1	-163.4	0	0	110.8	W837 Q838 I844 R845	W837-E841 HydrophobicContact CH2-CG 4.44Å; W837-E841 HydrophobicContact CZ3-CB 4.43Å; W837-E841 VanDerWaalsContact CZ3-OE2 3.25Å; W837-E841 WeakPolarHBondContact CZ3-OE2 3.48Å; W837-E841 WeakPolarHBondContact O-CB 3.49Å; W837-E841 PolarHBondContact O-N 3.47Å; Q838-E841 PolarHBondContact O-N 2.95Å; E841-I844 PolarHBondContact O-N 2.95Å; E841-R845 WeakPolarHBondContact O-CB 3.35Å; E841-R845 WeakPolarHBondContact O-CG 3.43Å; E841-R845 PolarHBondContact O-N 3.28Å; E841-R845 IonicContact OE1-CZ 3.97Å; E841-R845 IonicContact OE1-NE 3.93Å; E841-R845 PolarHBondContact OE1-NE 3.42Å; E841-R845 IonicContact OE1-NH2 2.82Å; E841-R845 PolarHBondContact OE1-NH2 2.95Å; E841-R845 IonicContact OE2-NH2 2.69Å; E841-R845 PolarHBondContact OE2-NH2 3.41Å
842	L	47.6	Very low	43.2	Very low	119 Å²	119	106.8 Å²	106.8	62%	0.623	49%	0.494	S	S	*	.	H	α-helix	trans	-61.5	-48.3	171.4	-84.9	159.5	0	0	0	111.7	Q838 W840 I844 R845 E846	Q838-L842 WeakPolarHBondContact O-CB 3.21Å; Q838-L842 PolarHBondContact O-N 3Å; W840-L842 VanDerWaalsContact C-N 3.27Å; W840-L842 PolarHBondContact O-N 3.25Å; L842-I844 VanDerWaalsContact C-N 3.29Å; L842-I844 PolarHBondContact O-N 3.46Å; L842-R845 PolarHBondContact O-N 2.89Å; L842-E846 VanDerWaalsContact O-CB 3.23Å; L842-E846 WeakPolarHBondContact O-CB 3.41Å; L842-E846 PolarHBondContact O-N 3.42Å
843	I	42.6	Very low	43	Very low	79 Å²	79	108.5 Å²	108.5	41%	0.405	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-40.4	177.3	-69.4	162.2	0	0	0	111.3	E839 W840 K847	E839-I843 WeakPolarHBondContact O-CD1 3.28Å; E839-I843 WeakPolarHBondContact O-CG1 3.41Å; E839-I843 PolarHBondContact O-N 2.79Å; W840-I843 PolarHBondContact O-N 3.36Å; W840-I843 VanDerWaalsContact O-N 3.13Å; I843-K847 HydrophobicContact CG2-CD 4.36Å; I843-K847 WeakPolarHBondContact O-CB 3.35Å; I843-K847 WeakPolarHBondContact O-CG 3.47Å; I843-K847 PolarHBondContact O-N 3.16Å
844	I	37.4	Very low	42.8	Very low	71 Å²	71	111 Å²	111	36%	0.364	51%	0.512	S	S	.	.	H	α-helix	trans	-69.4	-51.3	179.8	-71.4	171	0	0	0	109.6	W840 E841 L842 E846 K847 I848	W840-I844 WeakPolarHBondContact O-CB 3.43Å; W840-I844 WeakPolarHBondContact O-CG1 3.46Å; W840-I844 PolarHBondContact O-N 3Å; E841-I844 PolarHBondContact O-N 2.95Å; L842-I844 VanDerWaalsContact C-N 3.29Å; L842-I844 PolarHBondContact O-N 3.46Å; I844-E846 PolarHBondContact O-N 2.93Å; I844-K847 PolarHBondContact O-N 3.22Å; I844-I848 HydrophobicContact CB-CD1 4.48Å; I844-I848 HydrophobicContact CG2-CD1 3.61Å; I844-I848 HydrophobicContact CG2-CG1 4.24Å; I844-I848 WeakPolarHBondContact O-CA 3.21Å; I844-I848 WeakPolarHBondContact O-CB 3.42Å; I844-I848 WeakPolarHBondContact O-CG1 3.38Å; I844-I848 PolarHBondContact O-N 2.79Å
845	R	44.8	Very low	42.3	Very low	145 Å²	145	110.6 Å²	110.6	55%	0.547	51%	0.511	S	S	.	.	H	α-helix	trans	-61.1	-44.7	177.3	-76.5	-171.5	-152.6	171.4	5.2	111.9	E841 L842 K847 D849	E841-R845 WeakPolarHBondContact O-CB 3.35Å; E841-R845 WeakPolarHBondContact O-CG 3.43Å; E841-R845 PolarHBondContact O-N 3.28Å; E841-R845 IonicContact OE1-CZ 3.97Å; E841-R845 IonicContact OE1-NE 3.93Å; E841-R845 PolarHBondContact OE1-NE 3.42Å; E841-R845 IonicContact OE1-NH2 2.82Å; E841-R845 PolarHBondContact OE1-NH2 2.95Å; E841-R845 IonicContact OE2-NH2 2.69Å; E841-R845 PolarHBondContact OE2-NH2 3.41Å; L842-R845 PolarHBondContact O-N 2.89Å; R845-K847 PolarHBondContact O-N 3.48Å; R845-D849 WeakPolarHBondContact O-CB 3.47Å; R845-D849 PolarHBondContact O-N 3.48Å; R845-D849 VanDerWaalsContact O-N 3.15Å
846	E	45.6	Very low	41.8	Very low	80 Å²	80	111.8 Å²	111.8	37%	0.374	51%	0.513	S	S	.	.	H	α-helix	trans	-66.4	-26.1	-177.2	-159.4	-179.8	-167.9	0	0	112.5	H533 L842 I844	H533-E846 IonicContact CD2-OE2 3.22Å; H533-E846 IonicContact NE2-OE2 3.8Å; L842-E846 VanDerWaalsContact O-CB 3.23Å; L842-E846 WeakPolarHBondContact O-CB 3.41Å; L842-E846 PolarHBondContact O-N 3.42Å; I844-E846 PolarHBondContact O-N 2.93Å
847	K	40	Very low	41.6	Very low	130 Å²	130	117.1 Å²	117.1	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-100.6	-33.3	-179.6	-71.6	-173.1	176	-178.4	0	115.5	I843 I844 R845	I843-K847 HydrophobicContact CG2-CD 4.36Å; I843-K847 WeakPolarHBondContact O-CB 3.35Å; I843-K847 WeakPolarHBondContact O-CG 3.47Å; I843-K847 PolarHBondContact O-N 3.16Å; I844-K847 PolarHBondContact O-N 3.22Å; R845-K847 PolarHBondContact O-N 3.48Å
848	I	38.7	Very low	41.4	Very low	72 Å²	72	114.7 Å²	114.7	37%	0.369	53%	0.528	S	S	.	.	H	α-helix	trans	-92.4	-36.4	-174.1	-59.8	-173.3	0	0	0	110.6	I844 R850 D851 F852	I844-I848 HydrophobicContact CB-CD1 4.48Å; I844-I848 HydrophobicContact CG2-CD1 3.61Å; I844-I848 HydrophobicContact CG2-CG1 4.24Å; I844-I848 WeakPolarHBondContact O-CA 3.21Å; I844-I848 WeakPolarHBondContact O-CB 3.42Å; I844-I848 WeakPolarHBondContact O-CG1 3.38Å; I844-I848 PolarHBondContact O-N 2.79Å; I848-R850 PolarHBondContact O-N 3.45Å; I848-R850 VanDerWaalsContact O-N 3.15Å; I848-D851 PolarHBondContact O-N 2.88Å; I848-D851 VanDerWaalsContact O-N 3.08Å; I848-F852 HydrophobicContact CG2-CD2 3.88Å; I848-F852 HydrophobicContact CG2-CE2 4.42Å; I848-F852 PolarHBondContact O-N 2.99Å
849	D	36.8	Very low	40.8	Very low	115 Å²	115	116.6 Å²	116.6	62%	0.615	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	3.9	-178.1	-120.7	14	0	0	0	113.4	R845	R845-D849 WeakPolarHBondContact O-CB 3.47Å; R845-D849 PolarHBondContact O-N 3.48Å; R845-D849 VanDerWaalsContact O-N 3.15Å
850	R	35.6	Very low	40.4	Very low	192 Å²	192	115.5 Å²	115.5	73%	0.725	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-19.7	165.1	-78.1	-159.7	-168.8	-150.3	5.1	113.7	I848	I848-R850 PolarHBondContact O-N 3.45Å; I848-R850 VanDerWaalsContact O-N 3.15Å
851	D	38.2	Very low	40.3	Very low	155 Å²	155	119.8 Å²	119.8	83%	0.829	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	-3	-179.7	-73.7	-18.1	0	0	0	112.4	I848	I848-D851 PolarHBondContact O-N 2.88Å; I848-D851 VanDerWaalsContact O-N 3.08Å
852	F	32.9	Very low	40	Very low	220 Å²	220	125.3 Å²	125.3	97%	0.965	58%	0.58	S	S	*	*			trans	-98.7	0	159.7	-101.9	-86.5	0	0	0	109.9	I848	I848-F852 HydrophobicContact CG2-CD2 3.88Å; I848-F852 HydrophobicContact CG2-CE2 4.42Å; I848-F852 PolarHBondContact O-N 2.99Å

Retrieved 852 of 852 residues in 167.8 ms (Link to these results)

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