A0A077Z272_TRITR Loading...

EF-hand 7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z272, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 950 aa.

						>A0A077Z272_TRITR|A0A077Z272
MVDNRQAKLKERFQRWLPLPDKQRFRIENLVDSFCEERFADLGVTLPVGEGDRKLLRKRLGQKKVSRYSSILLRGQRTSNNGWLDRAVDQKEALYNSRNSVKSDPAYDEVNYRWQNAMNIHKRLAYNDNLRKVVSNSYQSADYAPAQRRNATTSSKQLDISALDEILMSTSALSVQRQPTMERRHSDTWRSNFLAKRQQFATKDSADYHIGKELLIAKASSSSGPNEHCPERQKFLNGKFKEHDRLERSYSDQNLPNYMRQPWSAHVRGDSVDFTLVRKSEGMPMQRSSSWNVASYASDDADRFRLRRKGVQPSWNAWNTVVEAIIAEREQERNENDYCRYPSRTQSLPRHYGTRHAQPIIPPNFSELDSILTNLGVANDHQKRQPSVNLPNGSTASFVGEKKSSLSSHGGRLPFKLSTAGSVAERIQQFEKRPDTTLSRFAEYPRQQLRLSPHETSNPRLWDTTLPSNVHYVHSPCQKEAQGMSSTIAPTFSVRRDLETTHSAQINRSERKQLFPQVDVPRFYFPYGKPNKKNELEEALQRVSGIFKNYGGQGDLNCLGEVAEAVGLPYYVRQPLFSVCGGTACECVTFQNFEKLWRRINEVRHDEAALFVRILTKDTADYLLPVDFSSVVQDIINDHPGLVCLRQARAFYSTYLETVISRIYYNVSRSWTDRISVEELRRSSFLATLHRLGEVDDINKVRDYFSYEHFYVIYCTFWRLDFDHDLFISKSDLSMYNNYALSSRIIDRIFSKAVNCNLTEPDGKMSYSDFVWFILAEEDKEHPKSIEYWFRCMDLDGDGYLSIYELEHFYEEQSMRLEEMEFCPPSFADILCQMLDLVKPREKDKISLRDLKKCMHAPFFFDTFLNREKYLQLEESEPNKVAEEMESELTSAWDRFAAREYQKFLAKEASPEDTEINCDTDDTDDESNGRLGQDYRRLAECVSKFTGRSI
					

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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	40.8	Very low	47.1	Very low	217 Å²	217	132.8 Å²	132.8	100%	1.069	65%	0.651	S	S	*	*				0	-36.9	0	-89.3	-163.1	166.6	0	0	113	N4 R5	M1-N4 PolarHBondContact O-N 3.26Å; M1-R5 PolarHBondContact O-N 3.44Å
2	V	40.7	Very low	46.4	Very low	107 Å²	107	138.1 Å²	138.1	65%	0.648	66%	0.659	S	S	*	*	H	α-helix	trans	-61.9	-43.8	177.9	-178.6	0	0	0	0	112.4	N4 R5 Q6	V2-N4 VanDerWaalsContact C-N 3.28Å; V2-N4 PolarHBondContact O-N 3.19Å; V2-R5 PolarHBondContact O-N 3.23Å; V2-R5 VanDerWaalsContact O-N 3.13Å; V2-Q6 PolarHBondContact O-N 3.28Å; V2-Q6 VanDerWaalsContact O-N 3.12Å
3	D	51.4	Low	45.5	Very low	126 Å²	126	138.7 Å²	138.7	67%	0.674	66%	0.657	S	S	*	*	H	α-helix	trans	-62.4	-33.9	179.1	-63.9	-20.2	0	0	0	113.6	R5 Q6 A7	D3-R5 VanDerWaalsContact C-N 3.33Å; D3-R5 PolarHBondContact O-N 3.07Å; D3-Q6 PolarHBondContact O-N 3.33Å; D3-A7 WeakPolarHBondContact O-CB 3.28Å; D3-A7 PolarHBondContact O-N 3.19Å
4	N	58.2	Low	44.9	Very low	117 Å²	117	139.4 Å²	139.4	63%	0.626	66%	0.66	S	S	*	*	H	α-helix	trans	-75.2	-25.9	-179	-136.9	-0.2	0	0	0	111.7	M1 V2 K8	M1-N4 PolarHBondContact O-N 3.26Å; V2-N4 VanDerWaalsContact C-N 3.28Å; V2-N4 PolarHBondContact O-N 3.19Å; N4-K8 PolarHBondContact O-N 3.36Å
5	R	43.9	Very low	44.5	Very low	199 Å²	199	143.9 Å²	143.9	75%	0.751	67%	0.668	S	S	*	*	H	α-helix	trans	-73.2	-44.5	171.3	-105.3	-177.2	176.7	177.5	-1.5	111.1	M1 V2 D3 K8 L9	M1-R5 PolarHBondContact O-N 3.44Å; V2-R5 PolarHBondContact O-N 3.23Å; V2-R5 VanDerWaalsContact O-N 3.13Å; D3-R5 VanDerWaalsContact C-N 3.33Å; D3-R5 PolarHBondContact O-N 3.07Å; R5-K8 PolarHBondContact O-N 3.25Å; R5-L9 WeakPolarHBondContact O-CB 3.33Å; R5-L9 PolarHBondContact O-N 3.07Å
6	Q	43	Very low	43.6	Very low	127 Å²	127	147.9 Å²	147.9	59%	0.593	68%	0.675	S	S	*	*	H	α-helix	trans	-63.6	-41.7	176	-77.6	-174.9	-15.8	0	0	111.8	V2 D3 L9 K10	V2-Q6 PolarHBondContact O-N 3.28Å; V2-Q6 VanDerWaalsContact O-N 3.12Å; D3-Q6 PolarHBondContact O-N 3.33Å; Q6-L9 PolarHBondContact O-N 3.07Å; Q6-K10 WeakPolarHBondContact O-CB 3.39Å; Q6-K10 PolarHBondContact O-N 2.83Å
7	A	56.2	Low	42.7	Very low	51 Å²	51	144.4 Å²	144.4	42%	0.421	66%	0.663	S	S	.	*	H	α-helix	trans	-61.2	-45.8	176.3	0	0	0	0	0	112.2	D3 L9 K10 E11	D3-A7 WeakPolarHBondContact O-CB 3.28Å; D3-A7 PolarHBondContact O-N 3.19Å; A7-L9 PolarHBondContact O-N 3.3Å; A7-K10 PolarHBondContact O-N 3.29Å; A7-E11 WeakPolarHBondContact O-CB 3.47Å; A7-E11 PolarHBondContact O-N 2.89Å
8	K	52.8	Low	42.1	Very low	145 Å²	145	143.2 Å²	143.2	63%	0.63	67%	0.67	S	S	*	*	H	α-helix	trans	-64	-39.6	175.8	-81.6	-174.7	176.4	-176.4	0	112.9	N4 R5 R12	N4-K8 PolarHBondContact O-N 3.36Å; R5-K8 PolarHBondContact O-N 3.25Å; K8-R12 VanDerWaalsContact O-CB 3.31Å; K8-R12 WeakPolarHBondContact O-CB 3.29Å; K8-R12 PolarHBondContact O-N 3.42Å
9	L	42.8	Very low	41.4	Very low	105 Å²	105	140.5 Å²	140.5	55%	0.55	66%	0.66	S	S	.	*	H	α-helix	trans	-63.2	-43	174.6	-95.9	148	0	0	0	111.3	R5 Q6 A7 R12 F13	R5-L9 WeakPolarHBondContact O-CB 3.33Å; R5-L9 PolarHBondContact O-N 3.07Å; Q6-L9 PolarHBondContact O-N 3.07Å; A7-L9 PolarHBondContact O-N 3.3Å; L9-R12 PolarHBondContact O-N 3.11Å; L9-F13 WeakPolarHBondContact O-CB 3.31Å; L9-F13 PolarHBondContact O-N 3.06Å
10	K	40.2	Very low	41	Very low	148 Å²	148	138.7 Å²	138.7	64%	0.643	66%	0.661	S	S	*	*	H	α-helix	trans	-65.9	-40.9	178.9	-149.6	175.1	-170.9	178	0	112.1	Q6 A7 F13 Q14	Q6-K10 WeakPolarHBondContact O-CB 3.39Å; Q6-K10 PolarHBondContact O-N 2.83Å; A7-K10 PolarHBondContact O-N 3.29Å; K10-F13 PolarHBondContact O-N 3.17Å; K10-Q14 WeakPolarHBondContact O-CB 3.45Å; K10-Q14 WeakPolarHBondContact O-CG 3.4Å; K10-Q14 PolarHBondContact O-N 3.2Å
11	E	48.5	Very low	40.7	Very low	119 Å²	119	138 Å²	138	56%	0.556	66%	0.661	S	S	*	*	H	α-helix	trans	-67.6	-39.3	175.6	-163.7	-175.9	-173.6	0	0	111.7	A7 Q14 R15	A7-E11 WeakPolarHBondContact O-CB 3.47Å; A7-E11 PolarHBondContact O-N 2.89Å; E11-Q14 PolarHBondContact O-N 2.97Å; E11-R15 PolarHBondContact O-N 2.99Å
12	R	38.6	Very low	40.4	Very low	196 Å²	196	137.3 Å²	137.3	74%	0.74	65%	0.652	S	S	*	*	H	α-helix	trans	-66.8	-38.8	175.2	-146.6	177.6	-169.5	-167.1	0.8	111.4	K8 L9	K8-R12 VanDerWaalsContact O-CB 3.31Å; K8-R12 WeakPolarHBondContact O-CB 3.29Å; K8-R12 PolarHBondContact O-N 3.42Å; L9-R12 PolarHBondContact O-N 3.11Å
13	F	34.1	Very low	40	Very low	146 Å²	146	138.5 Å²	138.5	64%	0.64	65%	0.651	S	S	*	*	H	α-helix	trans	-66.8	-41.7	175	-112.6	-89.9	0	0	0	112.6	L9 K10 R15 W16	L9-F13 WeakPolarHBondContact O-CB 3.31Å; L9-F13 PolarHBondContact O-N 3.06Å; K10-F13 PolarHBondContact O-N 3.17Å; F13-R15 VanDerWaalsContact C-N 3.29Å; F13-R15 PolarHBondContact O-N 3.44Å; F13-W16 PolarHBondContact O-N 2.95Å
14	Q	37.1	Very low	38.8	Very low	148 Å²	148	141 Å²	141	69%	0.692	65%	0.651	S	S	*	*	H	α-helix	trans	-67.2	-28.4	179.9	-81.1	-177.2	-22.2	0	0	113.3	K10 E11 W16	K10-Q14 WeakPolarHBondContact O-CB 3.45Å; K10-Q14 WeakPolarHBondContact O-CG 3.4Å; K10-Q14 PolarHBondContact O-N 3.2Å; E11-Q14 PolarHBondContact O-N 2.97Å; Q14-W16 VanDerWaalsContact C-N 3.25Å; Q14-W16 PolarHBondContact O-N 3.23Å
15	R	39	Very low	37.4	Very low	207 Å²	207	144 Å²	144	78%	0.781	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-20.9	174.8	-95.5	-177.7	175.1	166.5	1.7	114.2	E11 F13	E11-R15 PolarHBondContact O-N 2.99Å; F13-R15 VanDerWaalsContact C-N 3.29Å; F13-R15 PolarHBondContact O-N 3.44Å
16	W	30.7	Very low	36.7	Very low	208 Å²	208	145.1 Å²	145.1	79%	0.788	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-5.2	-172.7	-87.1	73.4	0	0	0	115.1	F13 Q14	F13-W16 PolarHBondContact O-N 2.95Å; Q14-W16 VanDerWaalsContact C-N 3.25Å; Q14-W16 PolarHBondContact O-N 3.23Å
17	L	28.8	Very low	35.9	Very low	89 Å²	89	144.9 Å²	144.9	47%	0.466	66%	0.664	S	S	.	*			trans	-130.8	87.3	-178.5	-81.8	104	0	0	0	114	L19	L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 HydrophobicContact CD2-CB 4.32Å; L17-L19 HydrophobicContact CD2-CD1 3.9Å; L17-L19 HydrophobicContact CD2-CG 4.5Å; L17-L19 HydrophobicContact CG-CD1 4.22Å
18	P	31	Very low	34.7	Very low	122 Å²	122	150.3 Å²	150.3	79%	0.792	68%	0.681	S	S	*	*			trans	-92.4	72	143.4	34.8	-22.8	0	0	0	107.8
19	L	29.8	Very low	33.8	Very low	92 Å²	92	150.7 Å²	150.7	48%	0.482	69%	0.69	S	S	.	*			trans	-111	135.1	174.9	-75.1	172.5	0	0	0	110.8	L17	L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 HydrophobicContact CD2-CB 4.32Å; L17-L19 HydrophobicContact CD2-CD1 3.9Å; L17-L19 HydrophobicContact CD2-CG 4.5Å; L17-L19 HydrophobicContact CG-CD1 4.22Å
20	P	32.9	Very low	33.1	Very low	105 Å²	105	152 Å²	152	68%	0.682	70%	0.697	S	S	*	*			trans	-64.1	145.4	-175.1	-18.7	30.7	0	0	0	113.2	K22 Q23	P20-K22 PolarHBondContact O-N 3.46Å; P20-Q23 PolarHBondContact O-N 3.35Å
21	D	34.7	Very low	32.7	Very low	124 Å²	124	149.4 Å²	149.4	66%	0.663	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-48.8	-20.2	-165	-65.9	-44.2	0	0	0	117.5	Q23 R24	D21-Q23 VanDerWaalsContact C-N 3.27Å; D21-Q23 PolarHBondContact O-N 2.85Å; D21-R24 PolarHBondContact O-N 3.28Å
22	K	35.1	Very low	31.9	Very low	202 Å²	202	150.4 Å²	150.4	88%	0.878	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-69.5	-17.7	-178.3	-72.3	-173	176.9	-177.6	0	114.5	P20	P20-K22 PolarHBondContact O-N 3.46Å
23	Q	30.8	Very low	31.7	Very low	132 Å²	132	145.9 Å²	145.9	62%	0.617	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-96.3	-8.6	179.6	-74.6	-169.9	-14.3	0	0	114.9	P20 D21 F25 R26	P20-Q23 PolarHBondContact O-N 3.35Å; D21-Q23 VanDerWaalsContact C-N 3.27Å; D21-Q23 PolarHBondContact O-N 2.85Å; Q23-F25 PolarHBondContact O-N 3.33Å; Q23-R26 PolarHBondContact O-N 2.87Å
24	R	27.5	Very low	31.5	Very low	178 Å²	178	146 Å²	146	67%	0.672	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-64	-28.4	177.2	-79.4	-175.5	175.4	-177.1	0.5	113.4	D21 R26	D21-R24 PolarHBondContact O-N 3.28Å; R24-R26 PolarHBondContact O-N 3.29Å
25	F	27.2	Very low	31.2	Very low	180 Å²	180	141.8 Å²	141.8	79%	0.789	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-70.4	-11	-175.7	-104.6	-82.9	0	0	0	115.4	Q23	Q23-F25 PolarHBondContact O-N 3.33Å
26	R	30.1	Very low	30.9	Very low	224 Å²	224	139.4 Å²	139.4	85%	0.845	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-92.3	-13.9	-175.1	-121.8	-178.5	-166.3	173.5	2.6	115	Q23 R24	Q23-R26 PolarHBondContact O-N 2.87Å; R24-R26 PolarHBondContact O-N 3.29Å
27	I	26.5	Very low	31.2	Very low	121 Å²	121	137.2 Å²	137.2	62%	0.621	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-23.6	-169	-60.9	176.9	0	0	0	112.8	N29	I27-N29 PolarHBondContact O-N 3.48Å
28	E	30.1	Very low	31.4	Very low	165 Å²	165	139.8 Å²	139.8	77%	0.771	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-14.3	-176.4	-71.4	-176.6	170	0	0	114.4
29	N	33.5	Very low	31.3	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	10.9	-176.6	-75.1	-9.7	0	0	0	115.3	I27	I27-N29 PolarHBondContact O-N 3.48Å
30	L	29.2	Very low	31.8	Very low	132 Å²	132	139.7 Å²	139.7	69%	0.691	69%	0.685	S	S	*	*	S	Bend	trans	-106	3.6	-174.9	-128.4	130.2	0	0	0	115.2
31	V	32.4	Very low	32.3	Very low	94 Å²	94	141.5 Å²	141.5	57%	0.57	69%	0.689	S	S	*	*	S	Bend	trans	-100	-20	-169	-178.6	0	0	0	0	115.2	C35	V31-C35 PolarHBondContact O-SG 3.05Å; V31-C35 VanDerWaalsContact O-SG 3.35Å
32	D	31.4	Very low	32.1	Very low	139 Å²	139	141.7 Å²	141.7	74%	0.743	69%	0.69	S	S	*	*	S	Bend	trans	-88.9	-36.8	-171.5	-69.8	-17.8	0	0	0	114.5	F34	D32-F34 PolarHBondContact O-N 3.49Å
33	S	34.1	Very low	31.8	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	68%	0.677	S	S	*	*	H	α-helix	trans	-75.5	-25.8	-177.9	71.1	0	0	0	0	113.9	C35	S33-C35 VanDerWaalsContact C-N 3.3Å; S33-C35 PolarHBondContact O-N 2.87Å
34	F	30	Very low	31.4	Very low	149 Å²	149	133.7 Å²	133.7	65%	0.654	68%	0.679	S	S	*	*	H	α-helix	trans	-77.9	-18.3	-176.9	-159.4	-99.3	0	0	0	112.5	D32	D32-F34 PolarHBondContact O-N 3.49Å
35	C	31.2	Very low	31.7	Very low	59 Å²	59	131.7 Å²	131.7	40%	0.399	69%	0.687	S	S	.	*	H	α-helix	trans	-88.4	-29.8	-175.8	-67.1	0	0	0	0	113.5	V31 S33 F39	V31-C35 PolarHBondContact O-SG 3.05Å; V31-C35 VanDerWaalsContact O-SG 3.35Å; S33-C35 VanDerWaalsContact C-N 3.3Å; S33-C35 PolarHBondContact O-N 2.87Å; C35-F39 VanDerWaalsContact O-CD2 3.22Å; C35-F39 WeakPolarHBondContact O-CD2 3.5Å
36	E	31.8	Very low	31.6	Very low	156 Å²	156	130.4 Å²	130.4	73%	0.729	69%	0.687	S	S	*	*	H	α-helix	trans	-70	-36.1	-172.8	-68.9	-170.8	161.1	0	0	113.3	R38 F39 A40	E36-R38 PolarHBondContact O-N 3.31Å; E36-F39 PolarHBondContact O-N 3.2Å; E36-A40 PolarHBondContact O-N 3.4Å
37	E	38	Very low	31.6	Very low	163 Å²	163	125.6 Å²	125.6	76%	0.762	69%	0.685	S	S	*	*	H	α-helix	trans	-67.8	-39.6	-176.9	-142.8	173.8	-165.7	0	0	111.9
38	R	31.6	Very low	32	Very low	143 Å²	143	126.1 Å²	126.1	54%	0.54	69%	0.693	S	S	.	*	H	α-helix	trans	-75.4	-23.4	179.6	-94.8	-172.4	177.4	178.1	1.5	114.2	E36 E821	E36-R38 PolarHBondContact O-N 3.31Å; R38-E821 IonicContact CZ-OE2 3.63Å; R38-E821 IonicContact NH1-OE1 3.9Å; R38-E821 IonicContact NH1-OE2 3.21Å; R38-E821 PolarHBondContact NH1-OE2 3.37Å; R38-E821 IonicContact NH2-OE2 3.02Å; R38-E821 PolarHBondContact NH2-OE2 3.17Å
39	F	29.3	Very low	32.2	Very low	132 Å²	132	121 Å²	121	58%	0.579	69%	0.685	S	S	*	*	H	α-helix	trans	-80.6	-24.5	177.7	-81.1	-65.6	0	0	0	113.2	C35 E36 D41 L42 G43	C35-F39 VanDerWaalsContact O-CD2 3.22Å; C35-F39 WeakPolarHBondContact O-CD2 3.5Å; E36-F39 PolarHBondContact O-N 3.2Å; F39-D41 VanDerWaalsContact C-N 3.35Å; F39-L42 PolarHBondContact O-N 3.25Å; F39-G43 PolarHBondContact O-N 2.95Å
40	A	40.5	Very low	32.2	Very low	79 Å²	79	122.6 Å²	122.6	65%	0.653	69%	0.688	S	S	*	*	H	α-helix	trans	-63.9	-41.1	170.6	0	0	0	0	0	111.4	E36 L42 G43	E36-A40 PolarHBondContact O-N 3.4Å; A40-L42 PolarHBondContact O-N 2.9Å; A40-G43 PolarHBondContact O-N 3.42Å
41	D	42.4	Very low	32.6	Very low	143 Å²	143	119.1 Å²	119.1	77%	0.765	68%	0.683	S	S	*	*	H	α-helix	trans	-65.5	-24.1	176.5	-76.9	-14.1	0	0	0	113.4	F39	F39-D41 VanDerWaalsContact C-N 3.35Å
42	L	32.2	Very low	32.7	Very low	128 Å²	128	119.6 Å²	119.6	67%	0.67	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	5.5	-179.6	-70	170.1	0	0	0	114.1	F39 A40 V44	F39-L42 PolarHBondContact O-N 3.25Å; A40-L42 PolarHBondContact O-N 2.9Å; L42-V44 VanDerWaalsContact C-N 3.26Å; L42-V44 PolarHBondContact O-N 3.08Å; L42-V44 VanDerWaalsContact O-N 3.14Å
43	G	27.6	Very low	32.7	Very low	60 Å²	60	122.9 Å²	122.9	62%	0.619	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.8	20.6	164.2	0	0	0	0	0	116	F39 A40	F39-G43 PolarHBondContact O-N 2.95Å; A40-G43 PolarHBondContact O-N 3.42Å
44	V	23	Very low	32.6	Very low	107 Å²	107	126.7 Å²	126.7	65%	0.648	69%	0.689	S	S	*	*			trans	-94.2	104.2	176.8	-177.5	0	0	0	0	109.5	L42	L42-V44 VanDerWaalsContact C-N 3.26Å; L42-V44 PolarHBondContact O-N 3.08Å; L42-V44 VanDerWaalsContact O-N 3.14Å
45	T	32.8	Very low	32.6	Very low	136 Å²	136	124.6 Å²	124.6	83%	0.834	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-99.4	120.6	179.2	28.6	0	0	0	0	110.7
46	L	25.3	Very low	32.5	Very low	152 Å²	152	126.7 Å²	126.7	80%	0.796	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-84.9	147.8	177.7	-75.4	168.1	0	0	0	111.8
47	P	31	Very low	32.3	Very low	123 Å²	123	129.4 Å²	129.4	80%	0.799	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-89	119.7	-160.9	33.8	-31.4	0	0	0	112.3
48	V	34.6	Very low	32.1	Very low	133 Å²	133	129.6 Å²	129.6	81%	0.806	69%	0.692	S	S	*	*			trans	-113.9	131.1	176.3	-176	0	0	0	0	110.2
49	G	34	Very low	32.2	Very low	58 Å²	58	131.8 Å²	131.8	60%	0.598	70%	0.7	S	S	*	*			trans	-72.8	158.4	-161.2	0	0	0	0	0	117.5	G51	G49-G51 PolarHBondContact O-N 3.29Å
50	E	34.7	Very low	32.3	Very low	187 Å²	187	131.7 Å²	131.7	87%	0.874	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-0.9	-168.6	-79	-179.4	130.5	0	0	117.7	D52	E50-D52 PolarHBondContact O-N 3.14Å
51	G	35.9	Very low	31.8	Very low	58 Å²	58	131 Å²	131	60%	0.598	71%	0.705	S	S	*	*	H	α-helix	trans	-64	-38.7	-176.3	0	0	0	0	0	114	G49 R53	G49-G51 PolarHBondContact O-N 3.29Å; G51-R53 PolarHBondContact O-N 2.92Å
52	D	36.3	Very low	31.2	Very low	105 Å²	105	132.5 Å²	132.5	56%	0.561	71%	0.708	S	S	*	*	H	α-helix	trans	-80.3	-24.5	-166.2	-68.7	-32.5	0	0	0	114	E50 K54 L55 L56	E50-D52 PolarHBondContact O-N 3.14Å; D52-K54 VanDerWaalsContact C-N 3.35Å; D52-K54 PolarHBondContact O-N 3.32Å; D52-L55 PolarHBondContact O-N 2.86Å; D52-L56 PolarHBondContact O-N 3.03Å; D52-L56 VanDerWaalsContact O-N 3.1Å
53	R	30	Very low	31.1	Very low	208 Å²	208	135.8 Å²	135.8	79%	0.785	72%	0.717	S	S	*	*	H	α-helix	trans	-67.4	-31	-178.5	-77.1	-176.2	169.1	-178.9	-2.2	113.5	G51 R57	G51-R53 PolarHBondContact O-N 2.92Å; R53-R57 PolarHBondContact O-N 3.15Å
54	K	32	Very low	31.1	Very low	182 Å²	182	142.1 Å²	142.1	79%	0.791	73%	0.727	S	S	*	*	H	α-helix	trans	-75.8	-32.5	178.1	-105.7	178.9	-179.9	172.4	0	112.4	D52 K58	D52-K54 VanDerWaalsContact C-N 3.35Å; D52-K54 PolarHBondContact O-N 3.32Å; K54-K58 PolarHBondContact O-N 3.05Å
55	L	30.6	Very low	31.2	Very low	105 Å²	105	143.9 Å²	143.9	55%	0.55	74%	0.738	S	S	.	*	H	α-helix	trans	-75.2	-38.7	178.9	-161.5	68.7	0	0	0	111.4	D52 K58 R59	D52-L55 PolarHBondContact O-N 2.86Å; L55-K58 PolarHBondContact O-N 3.43Å; L55-R59 PolarHBondContact O-N 3.07Å; L55-R59 VanDerWaalsContact O-N 3.13Å
56	L	28.8	Very low	30.9	Very low	103 Å²	103	142.6 Å²	142.6	54%	0.539	73%	0.734	S	S	.	*	H	α-helix	trans	-60.5	-44.7	173.2	-95.5	149.4	0	0	0	112.5	D52 K58 R59 L60	D52-L56 PolarHBondContact O-N 3.03Å; D52-L56 VanDerWaalsContact O-N 3.1Å; L56-K58 VanDerWaalsContact C-N 3.27Å; L56-K58 PolarHBondContact O-N 3.44Å; L56-R59 PolarHBondContact O-N 2.88Å; L56-L60 HydrophobicContact CD2-CD1 4.33Å; L56-L60 PolarHBondContact O-N 3.39Å
57	R	28.2	Very low	31	Very low	213 Å²	213	146.1 Å²	146.1	80%	0.804	74%	0.737	S	S	*	*	H	α-helix	trans	-62.9	-32.4	176.6	-82.6	-174.4	178.9	175.7	1.4	113.2	R53	R53-R57 PolarHBondContact O-N 3.15Å
58	K	32.4	Very low	30.6	Very low	166 Å²	166	151.2 Å²	151.2	72%	0.722	74%	0.742	S	S	*	*	H	α-helix	trans	-75.3	-33	178.5	-138.9	178.3	-174.5	-178.2	0	112.3	K54 L55 L56	K54-K58 PolarHBondContact O-N 3.05Å; L55-K58 PolarHBondContact O-N 3.43Å; L56-K58 VanDerWaalsContact C-N 3.27Å; L56-K58 PolarHBondContact O-N 3.44Å
59	R	33.8	Very low	30.1	Very low	190 Å²	190	149.9 Å²	149.9	72%	0.717	74%	0.739	S	S	*	*	H	α-helix	trans	-77.9	-37	177.3	-79.7	-173.8	179.3	-178.8	2.1	113.4	L55 L56 G61	L55-R59 PolarHBondContact O-N 3.07Å; L55-R59 VanDerWaalsContact O-N 3.13Å; L56-R59 PolarHBondContact O-N 2.88Å; R59-G61 VanDerWaalsContact C-N 3.31Å; R59-G61 PolarHBondContact O-N 3.33Å
60	L	32.1	Very low	29.7	Very low	130 Å²	130	151.8 Å²	151.8	68%	0.681	74%	0.742	S	S	*	*	H	α-helix	trans	-68.8	-28.4	179.6	-78.5	160.8	0	0	0	113.1	L56 Q62	L56-L60 HydrophobicContact CD2-CD1 4.33Å; L56-L60 PolarHBondContact O-N 3.39Å; L60-Q62 PolarHBondContact O-N 2.78Å
61	G	30.3	Very low	29.3	Very low	63 Å²	63	150.4 Å²	150.4	65%	0.649	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-14.2	-178.9	0	0	0	0	0	116.3	R59	R59-G61 VanDerWaalsContact C-N 3.31Å; R59-G61 PolarHBondContact O-N 3.33Å
62	Q	30.1	Very low	28.7	Very low	176 Å²	176	155.5 Å²	155.5	82%	0.822	75%	0.752	S	S	*	*	S	Bend	trans	-114.5	-1.4	-169.6	-77.9	-168.5	-24.9	0	0	116.4	L60	L60-Q62 PolarHBondContact O-N 2.78Å
63	K	29.7	Very low	28.2	Very low	197 Å²	197	158.2 Å²	158.2	86%	0.857	77%	0.766	S	S	*	*	S	Bend	trans	-107.2	-2.9	-177.8	-82.4	-172.1	175.5	-178	0	116.7
64	K	28.1	Very low	27.9	Very low	192 Å²	192	160.3 Å²	160.3	84%	0.835	77%	0.774	S	S	*	*	S	Bend	trans	-99	105.6	169.2	-75.4	-177.2	176.3	179.3	0	108.9
65	V	24.8	Very low	27.6	Very low	144 Å²	144	155.3 Å²	155.3	87%	0.873	77%	0.773	S	S	*	*	S	Bend	trans	170.9	-16.3	144.3	155.6	0	0	0	0	114
66	S	26.6	Very low	27.3	Very low	109 Å²	109	159.3 Å²	159.3	76%	0.762	79%	0.79	S	S	*	*	S	Bend	trans	-101.5	5.5	-163.3	-161.9	0	0	0	0	120.6
67	R	26.2	Very low	27	Very low	226 Å²	226	166.3 Å²	166.3	85%	0.853	81%	0.809	S	S	*	*	S	Bend	trans	-136.2	3.6	-176.2	-87.5	-168.9	-167.6	164.1	4.1	120.3
68	Y	22.7	Very low	27	Very low	231 Å²	231	162.6 Å²	162.6	91%	0.906	81%	0.81	S	S	*	*	S	Bend	trans	-108.9	8.7	178.8	-85.5	-77.1	0	0	0	116
69	S	24.7	Very low	26.5	Very low	105 Å²	105	159.6 Å²	159.6	73%	0.734	81%	0.81	S	S	*	*	S	Bend	trans	-100.4	1.8	179	58.9	0	0	0	0	116
70	S	26.3	Very low	26	Very low	97 Å²	97	157.8 Å²	157.8	68%	0.678	81%	0.814	S	S	*	*	S	Bend	trans	-114.9	5.6	-170.8	51.8	0	0	0	0	117.4
71	I	25.6	Very low	25.7	Very low	159 Å²	159	158.6 Å²	158.6	82%	0.815	82%	0.819	S	S	*	*	S	Bend	trans	-116.8	-7.6	179.7	-64.3	176.7	0	0	0	114.3
72	L	24.6	Very low	25.4	Very low	165 Å²	165	158.8 Å²	158.8	86%	0.864	82%	0.822	S	S	*	*	S	Bend	trans	-97.4	14.7	-178.1	-93.3	160.9	0	0	0	116.5
73	L	25.1	Very low	25.1	Very low	161 Å²	161	162.9 Å²	162.9	84%	0.843	83%	0.83	S	S	*	*	S	Bend	trans	-132.8	31	-178.2	-79.2	171.4	0	0	0	116.3
74	R	24	Very low	24.8	Very low	253 Å²	253	161.4 Å²	161.4	96%	0.955	83%	0.83	S	S	*	*			trans	-134.2	80.1	168.4	-76	-169.2	-175.1	-150.5	2.3	112.8
75	G	24.3	Very low	24.5	Very low	76 Å²	76	160 Å²	160	78%	0.784	83%	0.832	S	S	*	*			trans	-141.7	80.7	162.9	0	0	0	0	0	108.1	R77	G75-R77 PolarHBondContact O-N 3.28Å
76	Q	25.5	Very low	24.5	Very low	190 Å²	190	165.1 Å²	165.1	89%	0.888	84%	0.836	S	S	*	*			trans	-58.8	128	-177.3	-86.2	171.6	-39.4	0	0	111.2	T78	Q76-T78 PolarHBondContact O-N 2.95Å
77	R	21.8	Very low	24.6	Very low	249 Å²	249	164.6 Å²	164.6	94%	0.94	84%	0.838	S	S	*	*			trans	-47.3	119.7	162.1	-70.2	171.5	170	178.9	-4.5	110.2	G75	G75-R77 PolarHBondContact O-N 3.28Å
78	T	27.4	Very low	24.7	Very low	136 Å²	136	160.1 Å²	160.1	83%	0.834	84%	0.836	S	S	*	*			trans	-119.4	113.6	151.3	50.7	0	0	0	0	107.7	Q76	Q76-T78 PolarHBondContact O-N 2.95Å
79	S	22.3	Very low	25.1	Very low	103 Å²	103	156.5 Å²	156.5	72%	0.72	83%	0.832	S	S	*	*			trans	-68.8	132.5	172.8	49.3	0	0	0	0	110.4
80	N	24.7	Very low	25.4	Very low	151 Å²	151	159.8 Å²	159.8	81%	0.807	84%	0.836	S	S	*	*			trans	-160.2	94.1	142.2	-108	-14	0	0	0	111.2
81	N	24.7	Very low	25.6	Very low	147 Å²	147	164.3 Å²	164.3	79%	0.786	84%	0.843	S	S	*	*				34.3	110.2	129.8	-60	-14.5	0	0	0	119.1
82	G	24.8	Very low	25.8	Very low	68 Å²	68	166 Å²	166	70%	0.701	85%	0.848	S	S	*	*				89.6	76.2	104.6	0	0	0	0	0	117.3
83	W	23.1	Very low	26.1	Very low	261 Å²	261	162.5 Å²	162.5	99%	0.989	84%	0.843	S	S	*	*			trans	-148.1	58.4	154.8	-83.2	91.6	0	0	0	110.6
84	L	22.6	Very low	26.2	Very low	166 Å²	166	162.1 Å²	162.1	87%	0.869	84%	0.841	S	S	*	*			trans	-133.6	84.4	171.6	-99.7	156.7	0	0	0	107.4
85	D	23.3	Very low	26.4	Very low	163 Å²	163	160.7 Å²	160.7	87%	0.872	84%	0.837	S	S	*	*			trans	-179.5	99.5	150.5	-98	-19.6	0	0	0	109.6
86	R	24.7	Very low	26.5	Very low	251 Å²	251	164.8 Å²	164.8	95%	0.947	84%	0.841	S	S	*	*			trans	174.8	143.3	132.2	-99	171.8	-177.7	177.6	1.4	112.4
87	A	29.1	Very low	26.7	Very low	98 Å²	98	160.7 Å²	160.7	81%	0.81	83%	0.833	S	S	*	*			trans	87	74.2	165.6	0	0	0	0	0	117
88	V	27.4	Very low	27	Very low	133 Å²	133	160.4 Å²	160.4	81%	0.806	83%	0.832	S	S	*	*			trans	-85.5	-4.8	163	166.1	0	0	0	0	112.7	Q90	V88-Q90 PolarHBondContact O-N 3.45Å
89	D	30.7	Very low	27.1	Very low	155 Å²	155	161.4 Å²	161.4	83%	0.829	83%	0.832	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	34.3	-167.6	-66	-25.1	0	0	0	117
90	Q	32.2	Very low	27.4	Very low	174 Å²	174	161.3 Å²	161.3	81%	0.813	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.2	13.1	172.5	-83.7	-173.2	-4.1	0	0	115.6	V88	V88-Q90 PolarHBondContact O-N 3.45Å
91	K	30.1	Very low	27.7	Very low	192 Å²	192	161.3 Å²	161.3	84%	0.835	84%	0.836	S	S	*	*	S	Bend	trans	-89.2	-13.4	-179.2	-116.1	179.4	179.8	178	0	115.9
92	E	29	Very low	28	Very low	194 Å²	194	163.3 Å²	163.3	91%	0.907	84%	0.838	S	S	*	*	S	Bend	trans	-93.1	-6.3	-178.6	-89.5	-175.7	156.9	0	0	115.5
93	A	31.2	Very low	28.4	Very low	92 Å²	92	164 Å²	164	76%	0.76	83%	0.832	S	S	*	*	S	Bend	trans	-89.9	-8.1	-179.1	0	0	0	0	0	115.2
94	L	28.3	Very low	28.9	Very low	153 Å²	153	157.6 Å²	157.6	80%	0.801	82%	0.817	S	S	*	*	S	Bend	trans	-97.6	-2.5	-170.8	-91.3	162.1	0	0	0	115.9
95	Y	26.8	Very low	29.6	Very low	223 Å²	223	154.2 Å²	154.2	88%	0.875	81%	0.805	S	S	*	*	S	Bend	trans	-90.4	-0.1	-179.2	-111.1	-85.4	0	0	0	115.6
96	N	27.5	Very low	30.3	Very low	162 Å²	162	149.4 Å²	149.4	87%	0.866	79%	0.788	S	S	*	*			trans	-115.4	35.7	-174.9	-78.8	-23.7	0	0	0	115.3
97	S	28.8	Very low	30.7	Very low	103 Å²	103	144.7 Å²	144.7	72%	0.72	77%	0.771	S	S	*	*			trans	-125.7	89.7	166.7	-162.8	0	0	0	0	112	N99	S97-N99 VanDerWaalsContact C-N 3.26Å; S97-N99 PolarHBondContact O-N 3.24Å
98	R	29.5	Very low	31.3	Very low	244 Å²	244	144.4 Å²	144.4	92%	0.921	76%	0.756	S	S	*	*			trans	-77.5	77.5	170.8	-162.5	176.8	-165.8	160.5	2.1	107.9
99	N	28.5	Very low	32.2	Very low	157 Å²	157	142.8 Å²	142.8	84%	0.84	74%	0.74	S	S	*	*			trans	176	66.9	161.2	-88.5	-18.2	0	0	0	110.7	S97	S97-N99 VanDerWaalsContact C-N 3.26Å; S97-N99 PolarHBondContact O-N 3.24Å
100	S	28	Very low	32.7	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	73%	0.73	S	S	*	*			trans	-169.2	69.3	158.6	-173.7	0	0	0	0	111.4
101	V	32.1	Very low	33.1	Very low	151 Å²	151	135.4 Å²	135.4	92%	0.915	71%	0.71	S	S	*	*			trans	-105.8	73	149.9	-174.4	0	0	0	0	105.4
102	K	30.4	Very low	34.1	Very low	190 Å²	190	131.2 Å²	131.2	83%	0.826	69%	0.689	S	S	*	*			trans	-78.7	119.2	161.3	-75.2	-173.2	176.5	-176.8	0	105.5	D104	K102-D104 PolarHBondContact O-N 2.9Å
103	S	32.8	Very low	35.1	Very low	83 Å²	83	129.8 Å²	129.8	58%	0.58	68%	0.675	S	S	*	*			trans	-47.2	134.8	171.6	42.2	0	0	0	0	109.8	P105	S103-P105 WeakPolarHBondContact O-CD 3.43Å
104	D	34.4	Very low	35.8	Very low	125 Å²	125	133 Å²	133	67%	0.668	67%	0.668	S	S	*	*			trans	-66.2	113.6	-176.8	-152.5	-18.4	0	0	0	108.9	K102 A106 Y107	K102-D104 PolarHBondContact O-N 2.9Å; D104-A106 PolarHBondContact O-N 2.7Å; D104-Y107 PolarHBondContact O-N 3.25Å
105	P	37.4	Very low	36.5	Very low	95 Å²	95	130.2 Å²	130.2	62%	0.617	65%	0.651	S	S	*	*	H	α-helix	trans	-62.6	-16	-167.4	20	-30.7	0	0	0	114.2	S103 Y107 E109	S103-P105 WeakPolarHBondContact O-CD 3.43Å; P105-Y107 VanDerWaalsContact C-N 3.29Å; P105-Y107 PolarHBondContact O-N 3.44Å; P105-E109 PolarHBondContact O-N 3.04Å
106	A	37.3	Very low	37.9	Very low	62 Å²	62	122.2 Å²	122.2	51%	0.512	62%	0.623	S	S	.	*	H	α-helix	trans	-64.8	-30.4	173.9	0	0	0	0	0	113.1	D104 V110	D104-A106 PolarHBondContact O-N 2.7Å; A106-V110 WeakPolarHBondContact O-CG2 3.45Å; A106-V110 PolarHBondContact O-N 3.29Å
107	Y	33.9	Very low	39	Very low	153 Å²	153	117.1 Å²	117.1	60%	0.6	60%	0.604	S	S	*	*	H	α-helix	trans	-76	-39.7	-177.2	-158.5	-90.3	0	0	0	112.2	D104 P105 E109 N111 R649	D104-Y107 PolarHBondContact O-N 3.25Å; P105-Y107 VanDerWaalsContact C-N 3.29Å; P105-Y107 PolarHBondContact O-N 3.44Å; Y107-E109 VanDerWaalsContact C-N 3.32Å; Y107-E109 PolarHBondContact O-N 3.48Å; Y107-N111 PolarHBondContact O-N 3.29Å; Y107-R649 PolarHBondContact OH-NH2 2.85Å; Y107-R649 VanDerWaalsContact OH-NH2 3.1Å
108	D	40.5	Very low	39.9	Very low	91 Å²	91	116.5 Å²	116.5	49%	0.487	59%	0.59	S	S	.	*	H	α-helix	trans	-66.8	-35.6	177.1	-72.4	-27.9	0	0	0	111.1	Y112	D108-Y112 WeakPolarHBondContact O-CB 3.43Å; D108-Y112 PolarHBondContact O-N 3.28Å
109	E	46.1	Very low	41.3	Very low	100 Å²	100	108 Å²	108	47%	0.467	56%	0.564	S	S	.	*	H	α-helix	trans	-67.6	-40.9	178.9	-165	177.5	170.4	0	0	112.8	P105 Y107 Y112 R113	P105-E109 PolarHBondContact O-N 3.04Å; Y107-E109 VanDerWaalsContact C-N 3.32Å; Y107-E109 PolarHBondContact O-N 3.48Å; E109-Y112 PolarHBondContact O-N 3.04Å; E109-R113 WeakPolarHBondContact O-CB 3.46Å; E109-R113 VanDerWaalsContact O-CG 3.26Å; E109-R113 WeakPolarHBondContact O-CG 3.21Å; E109-R113 PolarHBondContact O-N 3.48Å; E109-R113 IonicContact OE1-CZ 3.36Å; E109-R113 IonicContact OE1-NE 3.25Å; E109-R113 PolarHBondContact OE1-NE 2.96Å; E109-R113 IonicContact OE1-NH2 2.7Å; E109-R113 PolarHBondContact OE1-NH2 2.79Å
110	V	42	Very low	43.2	Very low	103 Å²	103	105.3 Å²	105.3	62%	0.624	55%	0.548	S	S	*	.	H	α-helix	trans	-68	-43.5	178.8	176	0	0	0	0	111.1	A106 R113 W114	A106-V110 WeakPolarHBondContact O-CG2 3.45Å; A106-V110 PolarHBondContact O-N 3.29Å; V110-R113 PolarHBondContact O-N 3.1Å; V110-W114 PolarHBondContact O-N 3.36Å
111	N	40.4	Very low	44.6	Very low	71 Å²	71	106.8 Å²	106.8	38%	0.38	54%	0.544	S	S	.	.	H	α-helix	trans	-64.8	-41.1	176.5	-168.5	32.8	0	0	0	111.3	Y107 W114 Q115	Y107-N111 PolarHBondContact O-N 3.29Å; N111-W114 PolarHBondContact O-N 3.36Å; N111-Q115 WeakPolarHBondContact O-CG 3.47Å; N111-Q115 PolarHBondContact O-N 3.23Å
112	Y	51.3	Low	45.8	Very low	104 Å²	104	105.8 Å²	105.8	41%	0.408	53%	0.527	S	S	.	.	H	α-helix	trans	-60.7	-46.2	174.7	-176.4	-105.3	0	0	0	112.3	D108 E109 W114 Q115 N116 E586	D108-Y112 WeakPolarHBondContact O-CB 3.43Å; D108-Y112 PolarHBondContact O-N 3.28Å; E109-Y112 PolarHBondContact O-N 3.04Å; Y112-W114 VanDerWaalsContact C-N 3.34Å; Y112-W114 PolarHBondContact O-N 3.49Å; Y112-Q115 PolarHBondContact O-N 3.43Å; Y112-N116 WeakPolarHBondContact CE1-ND2 3.02Å; Y112-N116 WeakPolarHBondContact O-CB 3.27Å; Y112-N116 PolarHBondContact O-N 3.33Å; Y112-N116 PolarHBondContact OH-ND2 2.84Å; Y112-E586 WeakPolarHBondContact CE2-OE1 3.33Å; Y112-E586 PolarHBondContact OH-OE1 3.46Å
113	R	49.5	Very low	47.4	Very low	163 Å²	163	105.5 Å²	105.5	62%	0.615	52%	0.521	S	S	*	.	H	α-helix	trans	-61.2	-40.8	176.4	-76.2	178.5	-176.6	-151.2	5.3	112	E109 V110 N116 A117	E109-R113 WeakPolarHBondContact O-CB 3.46Å; E109-R113 VanDerWaalsContact O-CG 3.26Å; E109-R113 WeakPolarHBondContact O-CG 3.21Å; E109-R113 PolarHBondContact O-N 3.48Å; E109-R113 IonicContact OE1-CZ 3.36Å; E109-R113 IonicContact OE1-NE 3.25Å; E109-R113 PolarHBondContact OE1-NE 2.96Å; E109-R113 IonicContact OE1-NH2 2.7Å; E109-R113 PolarHBondContact OE1-NH2 2.79Å; V110-R113 PolarHBondContact O-N 3.1Å; R113-N116 PolarHBondContact O-N 3.22Å; R113-A117 WeakPolarHBondContact O-CB 3.37Å; R113-A117 PolarHBondContact O-N 3.48Å
114	W	46.7	Very low	49.2	Very low	161 Å²	161	106.4 Å²	106.4	61%	0.61	52%	0.518	S	S	*	.	H	α-helix	trans	-66.1	-47.4	177.9	-173	86.2	0	0	0	112.1	V110 N111 Y112 N116 A117 M118	V110-W114 PolarHBondContact O-N 3.36Å; N111-W114 PolarHBondContact O-N 3.36Å; Y112-W114 VanDerWaalsContact C-N 3.34Å; Y112-W114 PolarHBondContact O-N 3.49Å; W114-N116 VanDerWaalsContact C-N 3.3Å; W114-N116 PolarHBondContact O-N 3.37Å; W114-A117 PolarHBondContact O-N 3.18Å; W114-M118 HydrophobicContact CZ2-SD 4.33Å; W114-M118 PolarHBondContact O-N 3.26Å
115	Q	43.2	Very low	50.2	Low	94 Å²	94	102.7 Å²	102.7	44%	0.439	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-40.3	176.3	-70.4	-176.3	12.7	0	0	111.9	N111 Y112 M118 N119	N111-Q115 WeakPolarHBondContact O-CG 3.47Å; N111-Q115 PolarHBondContact O-N 3.23Å; Y112-Q115 PolarHBondContact O-N 3.43Å; Q115-M118 PolarHBondContact O-N 3.18Å; Q115-N119 WeakPolarHBondContact O-CB 3.4Å; Q115-N119 PolarHBondContact O-N 3.34Å; Q115-N119 PolarHBondContact O-ND2 3.19Å
116	N	55.5	Low	51.2	Low	54 Å²	54	105.4 Å²	105.4	29%	0.289	50%	0.504	S	S	.	.	H	α-helix	trans	-65.8	-42.5	175.3	-88.9	-18.8	0	0	0	112.9	Y112 R113 W114 M118 N119 I120	Y112-N116 WeakPolarHBondContact CE1-ND2 3.02Å; Y112-N116 WeakPolarHBondContact O-CB 3.27Å; Y112-N116 PolarHBondContact O-N 3.33Å; Y112-N116 PolarHBondContact OH-ND2 2.84Å; R113-N116 PolarHBondContact O-N 3.22Å; W114-N116 VanDerWaalsContact C-N 3.3Å; W114-N116 PolarHBondContact O-N 3.37Å; N116-M118 VanDerWaalsContact C-N 3.32Å; N116-M118 PolarHBondContact O-N 3.24Å; N116-N119 PolarHBondContact O-N 2.91Å; N116-I120 VanDerWaalsContact O-CG1 3.27Å; N116-I120 WeakPolarHBondContact O-CG1 3.39Å; N116-I120 PolarHBondContact O-N 3.05Å
117	A	51.6	Low	52.7	Low	56 Å²	56	106.2 Å²	106.2	46%	0.463	50%	0.5	S	S	.	.	H	α-helix	trans	-59.9	-43.4	174.8	0	0	0	0	0	111.6	R113 W114 N119 I120 H121	R113-A117 WeakPolarHBondContact O-CB 3.37Å; R113-A117 PolarHBondContact O-N 3.48Å; W114-A117 PolarHBondContact O-N 3.18Å; A117-N119 PolarHBondContact O-N 3.12Å; A117-I120 PolarHBondContact O-N 3.33Å; A117-H121 PolarHBondContact O-N 3.18Å
118	M	46.9	Very low	54.2	Low	89 Å²	89	103 Å²	103	44%	0.438	49%	0.493	S	S	.	.	H	α-helix	trans	-62.9	-40.5	177.1	-154.1	73.7	165.6	0	0	111.8	W114 Q115 N116 H121 K122	W114-M118 HydrophobicContact CZ2-SD 4.33Å; W114-M118 PolarHBondContact O-N 3.26Å; Q115-M118 PolarHBondContact O-N 3.18Å; N116-M118 VanDerWaalsContact C-N 3.32Å; N116-M118 PolarHBondContact O-N 3.24Å; M118-H121 PolarHBondContact O-N 3.27Å; M118-K122 WeakPolarHBondContact O-CG 3.47Å; M118-K122 PolarHBondContact O-N 3.38Å
119	N	59	Low	54.6	Low	67 Å²	67	103.4 Å²	103.4	36%	0.358	50%	0.495	S	S	.	.	H	α-helix	trans	-69.5	-38.2	177	-76.4	-26	0	0	0	112.7	Q115 N116 A117 K122 R123	Q115-N119 WeakPolarHBondContact O-CB 3.4Å; Q115-N119 PolarHBondContact O-N 3.34Å; Q115-N119 PolarHBondContact O-ND2 3.19Å; N116-N119 PolarHBondContact O-N 2.91Å; A117-N119 PolarHBondContact O-N 3.12Å; N119-K122 PolarHBondContact O-N 3.44Å; N119-R123 WeakPolarHBondContact O-CG 3.45Å; N119-R123 PolarHBondContact O-N 2.78Å
120	I	69.5	Low	55	Low	100 Å²	100	102.5 Å²	102.5	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-62.3	-45.5	173	-69.8	165	0	0	0	110	N116 A117 K122 R123 L124	N116-I120 VanDerWaalsContact O-CG1 3.27Å; N116-I120 WeakPolarHBondContact O-CG1 3.39Å; N116-I120 PolarHBondContact O-N 3.05Å; A117-I120 PolarHBondContact O-N 3.33Å; I120-K122 PolarHBondContact O-N 3.21Å; I120-R123 PolarHBondContact O-N 3.38Å; I120-R123 VanDerWaalsContact O-N 3.15Å; I120-L124 HydrophobicContact CG2-CD1 3.94Å; I120-L124 HydrophobicContact CG2-CG 4.33Å; I120-L124 WeakPolarHBondContact O-CG 3.26Å; I120-L124 PolarHBondContact O-N 3.45Å
121	H	55.6	Low	55.9	Low	131 Å²	131	106.4 Å²	106.4	61%	0.606	50%	0.497	S	S	*	.	H	α-helix	trans	-59.5	-45.2	178.1	-169.7	72.8	0	0	0	111.9	A117 M118 R123 L124 A125	A117-H121 PolarHBondContact O-N 3.18Å; M118-H121 PolarHBondContact O-N 3.27Å; H121-R123 VanDerWaalsContact C-N 3.34Å; H121-R123 PolarHBondContact O-N 3.09Å; H121-L124 PolarHBondContact O-N 2.8Å; H121-A125 WeakPolarHBondContact O-CB 3.45Å; H121-A125 PolarHBondContact O-N 3.37Å
122	K	59.1	Low	56.6	Low	129 Å²	129	109.2 Å²	109.2	56%	0.561	51%	0.505	S	S	*	.	H	α-helix	trans	-59.3	-40.8	174.5	-73.2	174.6	-178	176	0	112.7	M118 N119 I120 Y126	M118-K122 WeakPolarHBondContact O-CG 3.47Å; M118-K122 PolarHBondContact O-N 3.38Å; N119-K122 PolarHBondContact O-N 3.44Å; I120-K122 PolarHBondContact O-N 3.21Å; K122-Y126 WeakPolarHBondContact O-CB 3.45Å; K122-Y126 PolarHBondContact O-N 3.21Å
123	R	63.6	Low	56.6	Low	185 Å²	185	109.4 Å²	109.4	70%	0.698	52%	0.517	S	S	*	.	H	α-helix	trans	-67.3	-41.3	176.6	-75.6	-178.4	-178.3	-179	3.2	112.3	N119 I120 H121 Y126 N127	N119-R123 WeakPolarHBondContact O-CG 3.45Å; N119-R123 PolarHBondContact O-N 2.78Å; I120-R123 PolarHBondContact O-N 3.38Å; I120-R123 VanDerWaalsContact O-N 3.15Å; H121-R123 VanDerWaalsContact C-N 3.34Å; H121-R123 PolarHBondContact O-N 3.09Å; R123-Y126 PolarHBondContact O-N 3.15Å; R123-N127 WeakPolarHBondContact O-CB 3.31Å; R123-N127 VanDerWaalsContact O-CG 3.3Å; R123-N127 PolarHBondContact O-N 3.3Å; R123-N127 PolarHBondContact O-ND2 2.78Å
124	L	70.7	Confident	56.9	Low	102 Å²	102	106.8 Å²	106.8	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-64.5	-45.7	176.9	-70.9	173.4	0	0	0	111.2	I120 H121 Y126 N127 D128	I120-L124 HydrophobicContact CG2-CD1 3.94Å; I120-L124 HydrophobicContact CG2-CG 4.33Å; I120-L124 WeakPolarHBondContact O-CG 3.26Å; I120-L124 PolarHBondContact O-N 3.45Å; H121-L124 PolarHBondContact O-N 2.8Å; L124-Y126 VanDerWaalsContact C-N 3.32Å; L124-Y126 PolarHBondContact O-N 3.25Å; L124-N127 PolarHBondContact O-N 3.03Å; L124-D128 PolarHBondContact O-N 3.26Å
125	A	54.1	Low	56.9	Low	47 Å²	47	103.1 Å²	103.1	39%	0.388	52%	0.518	S	S	.	.	H	α-helix	trans	-60	-41.2	175.8	0	0	0	0	0	112.3	H121 D128 N129	H121-A125 WeakPolarHBondContact O-CB 3.45Å; H121-A125 PolarHBondContact O-N 3.37Å; A125-D128 PolarHBondContact O-N 3.09Å; A125-N129 PolarHBondContact O-N 3.32Å
126	Y	59.2	Low	56.5	Low	151 Å²	151	104.4 Å²	104.4	59%	0.592	53%	0.528	S	S	*	.	H	α-helix	trans	-62.7	-46.1	174.2	-179.2	-96.3	0	0	0	112.1	K122 R123 L124 D128 N129 L130	K122-Y126 WeakPolarHBondContact O-CB 3.45Å; K122-Y126 PolarHBondContact O-N 3.21Å; R123-Y126 PolarHBondContact O-N 3.15Å; L124-Y126 VanDerWaalsContact C-N 3.32Å; L124-Y126 PolarHBondContact O-N 3.25Å; Y126-D128 PolarHBondContact O-N 2.84Å; Y126-N129 PolarHBondContact O-N 3.04Å; Y126-L130 HydrophobicContact CE1-CD1 4.11Å; Y126-L130 PolarHBondContact O-N 3.17Å
127	N	68.7	Low	55.4	Low	79 Å²	79	106.3 Å²	106.3	42%	0.422	55%	0.546	S	S	.	.	H	α-helix	trans	-66.3	-35.6	179.2	-74.4	-26	0	0	0	112.7	R123 L124 L130 R131	R123-N127 WeakPolarHBondContact O-CB 3.31Å; R123-N127 VanDerWaalsContact O-CG 3.3Å; R123-N127 PolarHBondContact O-N 3.3Å; R123-N127 PolarHBondContact O-ND2 2.78Å; L124-N127 PolarHBondContact O-N 3.03Å; N127-L130 PolarHBondContact O-N 2.81Å; N127-R131 WeakPolarHBondContact O-CB 3.32Å; N127-R131 WeakPolarHBondContact O-CG 3.49Å; N127-R131 PolarHBondContact O-N 3.35Å
128	D	66.4	Low	54.5	Low	87 Å²	87	114 Å²	114	47%	0.465	56%	0.564	S	S	.	*	H	α-helix	trans	-66.2	-41.3	174.1	-101.9	10.7	0	0	0	111.6	L124 A125 Y126 R131 K132	L124-D128 PolarHBondContact O-N 3.26Å; A125-D128 PolarHBondContact O-N 3.09Å; Y126-D128 PolarHBondContact O-N 2.84Å; D128-R131 PolarHBondContact O-N 2.98Å; D128-K132 VanDerWaalsContact O-CG 3.31Å; D128-K132 WeakPolarHBondContact O-CG 3.33Å; D128-K132 PolarHBondContact O-N 2.98Å
129	N	48	Very low	53.6	Low	98 Å²	98	118.8 Å²	118.8	52%	0.524	59%	0.585	S	S	.	*	H	α-helix	trans	-64.2	-40.8	172.2	-85.5	-20.6	0	0	0	111.8	A125 Y126 R131 K132 V133	A125-N129 PolarHBondContact O-N 3.32Å; Y126-N129 PolarHBondContact O-N 3.04Å; N129-R131 VanDerWaalsContact C-N 3.34Å; N129-R131 PolarHBondContact O-N 3.25Å; N129-K132 PolarHBondContact O-N 3.39Å; N129-V133 VanDerWaalsContact O-CG2 3.29Å; N129-V133 WeakPolarHBondContact O-CG2 3.39Å; N129-V133 PolarHBondContact O-N 3.47Å
130	L	55.3	Low	52.3	Low	81 Å²	81	121.3 Å²	121.3	42%	0.424	61%	0.609	S	S	.	*	H	α-helix	trans	-62.4	-41.9	175.5	-148.1	86.3	0	0	0	111.4	Y126 N127 V133 V134	Y126-L130 HydrophobicContact CE1-CD1 4.11Å; Y126-L130 PolarHBondContact O-N 3.17Å; N127-L130 PolarHBondContact O-N 2.81Å; L130-V133 PolarHBondContact O-N 3.41Å; L130-V134 VanDerWaalsContact O-CG2 3.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.28Å; L130-V134 PolarHBondContact O-N 2.98Å
131	R	59.8	Low	50.3	Low	185 Å²	185	120.3 Å²	120.3	70%	0.698	62%	0.615	S	S	*	*	H	α-helix	trans	-62.2	-42.8	175.1	-79.6	179.8	177.8	-174.1	-0.2	112	N127 D128 N129 V133 V134 S135	N127-R131 WeakPolarHBondContact O-CB 3.32Å; N127-R131 WeakPolarHBondContact O-CG 3.49Å; N127-R131 PolarHBondContact O-N 3.35Å; D128-R131 PolarHBondContact O-N 2.98Å; N129-R131 VanDerWaalsContact C-N 3.34Å; N129-R131 PolarHBondContact O-N 3.25Å; R131-V133 VanDerWaalsContact C-N 3.28Å; R131-V133 PolarHBondContact O-N 3.46Å; R131-V134 PolarHBondContact O-N 3.39Å; R131-S135 WeakPolarHBondContact O-CB 3.28Å; R131-S135 PolarHBondContact O-N 2.88Å; R131-S135 PolarHBondContact O-OG 3.41Å; R131-S135 VanDerWaalsContact O-OG 3.11Å
132	K	55.8	Low	49.1	Very low	130 Å²	130	121 Å²	121	57%	0.565	62%	0.623	S	S	*	*	H	α-helix	trans	-62.3	-35.9	175.5	-72.5	170.9	-176.3	173.5	0	112.1	D128 N129 S135	D128-K132 VanDerWaalsContact O-CG 3.31Å; D128-K132 WeakPolarHBondContact O-CG 3.33Å; D128-K132 PolarHBondContact O-N 2.98Å; N129-K132 PolarHBondContact O-N 3.39Å; K132-S135 PolarHBondContact O-OG 2.93Å
133	V	50.6	Low	47.6	Very low	109 Å²	109	126.2 Å²	126.2	66%	0.661	64%	0.641	S	S	*	*	H	α-helix	trans	-72.5	-40.6	176.5	174.4	0	0	0	0	111.1	N129 L130 R131	N129-V133 VanDerWaalsContact O-CG2 3.29Å; N129-V133 WeakPolarHBondContact O-CG2 3.39Å; N129-V133 PolarHBondContact O-N 3.47Å; L130-V133 PolarHBondContact O-N 3.41Å; R131-V133 VanDerWaalsContact C-N 3.28Å; R131-V133 PolarHBondContact O-N 3.46Å
134	V	55.3	Low	45.9	Very low	107 Å²	107	121.7 Å²	121.7	65%	0.648	64%	0.643	S	S	*	*	H	α-helix	trans	-76.6	-31.1	-179.1	176	0	0	0	0	112.6	L130 R131 N136	L130-V134 VanDerWaalsContact O-CG2 3.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.28Å; L130-V134 PolarHBondContact O-N 2.98Å; R131-V134 PolarHBondContact O-N 3.39Å; V134-N136 PolarHBondContact O-N 3.44Å
135	S	46.8	Very low	44.1	Very low	84 Å²	84	123 Å²	123	59%	0.587	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-6.3	179.1	67.9	0	0	0	0	114	R131 K132 S137	R131-S135 WeakPolarHBondContact O-CB 3.28Å; R131-S135 PolarHBondContact O-N 2.88Å; R131-S135 PolarHBondContact O-OG 3.41Å; R131-S135 VanDerWaalsContact O-OG 3.11Å; K132-S135 PolarHBondContact O-OG 2.93Å; S135-S137 PolarHBondContact O-N 3.46Å; S135-S137 VanDerWaalsContact O-N 3.07Å
136	N	35	Very low	43	Very low	122 Å²	122	125.6 Å²	125.6	65%	0.652	68%	0.679	S	S	*	*			trans	-82.9	54.7	167.7	-80.3	-12.1	0	0	0	110.9	V134 Y138	V134-N136 PolarHBondContact O-N 3.44Å; N136-Y138 VanDerWaalsContact C-N 3.33Å; N136-Y138 PolarHBondContact O-N 2.89Å; N136-Y138 VanDerWaalsContact O-N 3.07Å
137	S	32.6	Very low	41.4	Very low	94 Å²	94	127.4 Å²	127.4	66%	0.657	69%	0.693	S	S	*	*			trans	-76	87.4	165.3	53.7	0	0	0	0	108.9	S135 Q139	S135-S137 PolarHBondContact O-N 3.46Å; S135-S137 VanDerWaalsContact O-N 3.07Å; S137-Q139 PolarHBondContact O-N 3.32Å; S137-Q139 VanDerWaalsContact O-N 3.07Å
138	Y	32.4	Very low	39.3	Very low	217 Å²	217	135 Å²	135	85%	0.851	72%	0.716	S	S	*	*			trans	-65.6	102.9	164.3	-103.1	-94.4	0	0	0	108.4	N136 S140	N136-Y138 VanDerWaalsContact C-N 3.33Å; N136-Y138 PolarHBondContact O-N 2.89Å; N136-Y138 VanDerWaalsContact O-N 3.07Å; Y138-S140 PolarHBondContact O-N 3.01Å
139	Q	29.4	Very low	37.4	Very low	189 Å²	189	142.4 Å²	142.4	88%	0.883	74%	0.737	S	S	*	*			trans	-62.8	110.6	165.9	-72.1	175	-15	0	0	108.4	S137	S137-Q139 PolarHBondContact O-N 3.32Å; S137-Q139 VanDerWaalsContact O-N 3.07Å
140	S	30.5	Very low	36.3	Very low	121 Å²	121	145.3 Å²	145.3	85%	0.846	75%	0.753	S	S	*	*			trans	-116	113	161.9	-158.2	0	0	0	0	107.2	Y138	Y138-S140 PolarHBondContact O-N 3.01Å
141	A	28.4	Very low	35	Very low	78 Å²	78	145.6 Å²	145.6	65%	0.645	77%	0.767	S	S	*	*			trans	-72.2	153.6	179.3	0	0	0	0	0	111
142	D	29.8	Very low	33.4	Very low	145 Å²	145	143 Å²	143	78%	0.775	77%	0.771	S	S	*	*			trans	67.2	80.8	158.2	-53.9	-26.9	0	0	0	117.8
143	Y	27	Very low	32	Very low	240 Å²	240	143.9 Å²	143.9	94%	0.941	79%	0.788	S	S	*	*			trans	-141	105.4	140.9	-99.5	-81.9	0	0	0	110.8
144	A	29.2	Very low	30.9	Very low	89 Å²	89	143.6 Å²	143.6	74%	0.736	79%	0.79	S	S	*	*			trans	-63.3	148.6	173.6	0	0	0	0	0	111.6	A146	A144-A146 PolarHBondContact O-N 3.24Å
145	P	32.6	Very low	29.5	Very low	129 Å²	129	144.5 Å²	144.5	84%	0.838	80%	0.802	S	S	*	*			trans	-84.8	100.9	-164.7	33.1	-31.9	0	0	0	111.2
146	A	29.7	Very low	28.7	Very low	102 Å²	102	149.4 Å²	149.4	84%	0.843	81%	0.812	S	S	*	*			trans	-80.4	122.7	169.9	0	0	0	0	0	110.4	A144	A144-A146 PolarHBondContact O-N 3.24Å
147	Q	27.1	Very low	28.5	Very low	189 Å²	189	152.6 Å²	152.6	88%	0.883	82%	0.823	S	S	*	*			trans	-58	141	-174.3	-72	167.5	-30.7	0	0	114	R149	Q147-R149 PolarHBondContact O-N 3.41Å
148	R	23	Very low	28.3	Very low	240 Å²	240	155.7 Å²	155.7	91%	0.906	83%	0.832	S	S	*	*			trans	-38.7	117.7	166.6	-74.3	175.9	175.1	174.7	-2.5	112.2
149	R	26.5	Very low	28.4	Very low	242 Å²	242	151.7 Å²	151.7	91%	0.913	83%	0.825	S	S	*	*			trans	-118.5	112.3	150.6	-84.8	-174.8	174.6	168.7	-0.6	109.3	Q147 A151	Q147-R149 PolarHBondContact O-N 3.41Å; R149-A151 PolarHBondContact O-N 3.49Å
150	N	25.7	Very low	28.7	Very low	159 Å²	159	148.7 Å²	148.7	85%	0.85	81%	0.814	S	S	*	*			trans	-58.4	122.1	166.2	-62.8	-27.1	0	0	0	109.1
151	A	27.4	Very low	28.9	Very low	87 Å²	87	146.3 Å²	146.3	72%	0.719	80%	0.797	S	S	*	*			trans	-152.9	94	161.5	0	0	0	0	0	109.3	R149	R149-A151 PolarHBondContact O-N 3.49Å
152	T	26.9	Very low	29.5	Very low	130 Å²	130	145.8 Å²	145.8	80%	0.798	79%	0.793	S	S	*	*			trans	13.9	109.7	141.2	42.7	0	0	0	0	117.4	S154	T152-S154 PolarHBondContact O-N 3.37Å
153	T	26.2	Very low	29.7	Very low	149 Å²	149	143.9 Å²	143.9	91%	0.914	78%	0.782	S	S	*	*			trans	-18.5	106.5	149.4	44.5	0	0	0	0	114.8
154	S	27.1	Very low	30.2	Very low	102 Å²	102	137.5 Å²	137.5	71%	0.713	76%	0.764	S	S	*	*			trans	-119.3	113.6	156.4	173.1	0	0	0	0	106.8	T152 K156	T152-S154 PolarHBondContact O-N 3.37Å; S154-K156 PolarHBondContact O-N 2.98Å
155	S	27.4	Very low	30.6	Very low	126 Å²	126	140.7 Å²	140.7	88%	0.881	76%	0.764	S	S	*	*			trans	-51	101.9	173.6	-75.1	0	0	0	0	110.7
156	K	30.1	Very low	30.8	Very low	188 Å²	188	140 Å²	140	82%	0.817	75%	0.752	S	S	*	*			trans	-99.4	97.6	155.8	-74.3	-169.2	177.9	-176.1	0	107.5	S154 L158	S154-K156 PolarHBondContact O-N 2.98Å; K156-L158 PolarHBondContact O-N 3.45Å
157	Q	29.4	Very low	31.1	Very low	188 Å²	188	140.5 Å²	140.5	88%	0.879	74%	0.74	S	S	*	*			trans	-46.4	118	167.8	-163	160.1	-3.7	0	0	108.6	D159	Q157-D159 PolarHBondContact O-N 3.43Å; Q157-D159 VanDerWaalsContact O-N 3.14Å
158	L	29.5	Very low	31.5	Very low	160 Å²	160	137.9 Å²	137.9	84%	0.838	73%	0.729	S	S	*	*			trans	-62.3	112	179.2	-77.4	155.4	0	0	0	108.4	K156 I160	K156-L158 PolarHBondContact O-N 3.45Å; L158-I160 PolarHBondContact O-N 3.02Å
159	D	33	Very low	32	Very low	132 Å²	132	130.6 Å²	130.6	71%	0.706	72%	0.715	S	S	*	*			trans	-71.7	111.6	175.2	-166.8	-21.5	0	0	0	108.4	Q157 S161	Q157-D159 PolarHBondContact O-N 3.43Å; Q157-D159 VanDerWaalsContact O-N 3.14Å; D159-S161 VanDerWaalsContact CG-OG 3.29Å; D159-S161 PolarHBondContact O-N 3.32Å; D159-S161 WeakPolarHBondContact OD1-CB 3.33Å; D159-S161 PolarHBondContact OD1-N 3.26Å; D159-S161 PolarHBondContact OD1-OG 3.15Å
160	I	35.4	Very low	32.3	Very low	127 Å²	127	124.3 Å²	124.3	65%	0.651	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	10.7	-172.7	-56.4	169.7	0	0	0	111.1	L158 A162 L163	L158-I160 PolarHBondContact O-N 3.02Å; I160-A162 PolarHBondContact O-N 2.88Å; I160-L163 HydrophobicContact CG2-CB 4.22Å; I160-L163 HydrophobicContact CG2-CD1 4.19Å; I160-L163 PolarHBondContact O-N 2.85Å
161	S	36.4	Very low	32.7	Very low	71 Å²	71	121.7 Å²	121.7	50%	0.497	70%	0.698	S	S	.	*	H	α-helix	trans	-62.8	-23.9	175.6	46.4	0	0	0	0	114	D159 L163 D164	D159-S161 VanDerWaalsContact CG-OG 3.29Å; D159-S161 PolarHBondContact O-N 3.32Å; D159-S161 WeakPolarHBondContact OD1-CB 3.33Å; D159-S161 PolarHBondContact OD1-N 3.26Å; D159-S161 PolarHBondContact OD1-OG 3.15Å; S161-L163 VanDerWaalsContact C-N 3.27Å; S161-L163 PolarHBondContact O-N 3.05Å; S161-D164 PolarHBondContact O-N 3.18Å
162	A	39.8	Very low	32.9	Very low	67 Å²	67	121.4 Å²	121.4	55%	0.554	70%	0.695	S	S	*	*	H	α-helix	trans	-71.4	-17.3	177.8	0	0	0	0	0	114.3	I160	I160-A162 PolarHBondContact O-N 2.88Å
163	L	35.3	Very low	33	Very low	105 Å²	105	122.7 Å²	122.7	55%	0.55	70%	0.697	S	S	.	*	H	α-helix	trans	-83.9	-27.9	177.5	-99.5	157	0	0	0	112.6	I160 S161 I166 L167	I160-L163 HydrophobicContact CG2-CB 4.22Å; I160-L163 HydrophobicContact CG2-CD1 4.19Å; I160-L163 PolarHBondContact O-N 2.85Å; S161-L163 VanDerWaalsContact C-N 3.27Å; S161-L163 PolarHBondContact O-N 3.05Å; L163-I166 PolarHBondContact O-N 2.92Å; L163-L167 PolarHBondContact O-N 3.29Å
164	D	36.6	Very low	33	Very low	105 Å²	105	121.1 Å²	121.1	56%	0.561	69%	0.692	S	S	*	*	H	α-helix	trans	-71.9	-30.6	176.4	-98.7	1.6	0	0	0	112.1	S161 L167 M168	S161-D164 PolarHBondContact O-N 3.18Å; D164-L167 PolarHBondContact O-N 3.26Å; D164-M168 WeakPolarHBondContact O-CB 3.42Å; D164-M168 VanDerWaalsContact O-CG 3.3Å; D164-M168 WeakPolarHBondContact O-CG 3.38Å; D164-M168 PolarHBondContact O-N 2.89Å
165	E	36.9	Very low	33.1	Very low	156 Å²	156	122 Å²	122	73%	0.729	69%	0.693	S	S	*	*	H	α-helix	trans	-71.3	-33.4	177	-133.6	179.1	-169	0	0	112.3	S169	E165-S169 PolarHBondContact O-N 3.05Å; E165-S169 PolarHBondContact O-OG 3.43Å
166	I	38.1	Very low	33.1	Very low	115 Å²	115	125.1 Å²	125.1	59%	0.59	69%	0.693	S	S	*	*	H	α-helix	trans	-70.7	-35.1	174.1	-63.2	175.6	0	0	0	110.6	L163 S169	L163-I166 PolarHBondContact O-N 2.92Å; I166-S169 PolarHBondContact O-OG 2.84Å
167	L	34.9	Very low	32.9	Very low	112 Å²	112	127.4 Å²	127.4	59%	0.586	70%	0.697	S	S	*	*	H	α-helix	trans	-73.6	-36.7	176.7	-76.7	166.8	0	0	0	112.4	L163 D164 T170	L163-L167 PolarHBondContact O-N 3.29Å; D164-L167 PolarHBondContact O-N 3.26Å; L167-T170 PolarHBondContact O-OG1 3.33Å; L167-T170 VanDerWaalsContact O-OG1 3.06Å
168	M	36.7	Very low	32.7	Very low	134 Å²	134	126.7 Å²	126.7	66%	0.66	69%	0.694	S	S	*	*	H	α-helix	trans	-74.4	-27.8	-179.9	-70.8	-68	162.2	0	0	114.1	D164 T170 S171	D164-M168 WeakPolarHBondContact O-CB 3.42Å; D164-M168 VanDerWaalsContact O-CG 3.3Å; D164-M168 WeakPolarHBondContact O-CG 3.38Å; D164-M168 PolarHBondContact O-N 2.89Å; M168-T170 PolarHBondContact O-N 3.37Å; M168-S171 PolarHBondContact O-N 3.47Å; M168-S171 PolarHBondContact O-OG 2.93Å
169	S	33.8	Very low	32.7	Very low	87 Å²	87	125.2 Å²	125.2	61%	0.608	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-74	-5	-178.6	60.6	0	0	0	0	115	E165 I166 S171	E165-S169 PolarHBondContact O-N 3.05Å; E165-S169 PolarHBondContact O-OG 3.43Å; I166-S169 PolarHBondContact O-OG 2.84Å; S169-S171 VanDerWaalsContact C-N 3.35Å
170	T	31.5	Very low	32.4	Very low	111 Å²	111	124.8 Å²	124.8	68%	0.681	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-87.8	1.3	175.9	61	0	0	0	0	114.4	L167 M168 A172	L167-T170 PolarHBondContact O-OG1 3.33Å; L167-T170 VanDerWaalsContact O-OG1 3.06Å; M168-T170 PolarHBondContact O-N 3.37Å; T170-A172 VanDerWaalsContact C-N 3.27Å; T170-A172 PolarHBondContact O-N 3.06Å
171	S	33.3	Very low	31.8	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-81.1	3.6	177.2	53.7	0	0	0	0	114.9	M168 S169	M168-S171 PolarHBondContact O-N 3.47Å; M168-S171 PolarHBondContact O-OG 2.93Å; S169-S171 VanDerWaalsContact C-N 3.35Å
172	A	31.8	Very low	31.4	Very low	81 Å²	81	132.2 Å²	132.2	67%	0.669	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-98.4	22.1	-178.2	0	0	0	0	0	115.9	T170	T170-A172 VanDerWaalsContact C-N 3.27Å; T170-A172 PolarHBondContact O-N 3.06Å
173	L	29.5	Very low	30.7	Very low	157 Å²	157	139.1 Å²	139.1	82%	0.822	73%	0.734	S	S	*	*			trans	-120.2	63.2	169.6	-70.3	172.5	0	0	0	110.9	V175	L173-V175 PolarHBondContact O-N 3.19Å
174	S	27.1	Very low	30.4	Very low	117 Å²	117	144.9 Å²	144.9	82%	0.818	75%	0.748	S	S	*	*			trans	-70.6	72.3	166.1	60.2	0	0	0	0	110.5
175	V	29.6	Very low	30.2	Very low	120 Å²	120	146.8 Å²	146.8	73%	0.727	75%	0.753	S	S	*	*			trans	-90.4	113.6	161.8	176.8	0	0	0	0	106.7	L173 R177	L173-V175 PolarHBondContact O-N 3.19Å; V175-R177 PolarHBondContact O-N 3.15Å
176	Q	27.4	Very low	30.2	Very low	192 Å²	192	143.5 Å²	143.5	90%	0.897	75%	0.748	S	S	*	*			trans	-38	96.1	-179.6	-76.7	169.3	-40.2	0	0	112.7	Q178	Q176-Q178 PolarHBondContact O-N 2.93Å
177	R	25.5	Very low	30.1	Very low	235 Å²	235	143 Å²	143	89%	0.887	75%	0.746	S	S	*	*			trans	-83	110.3	162.2	-77.4	-173.3	178.4	-170.8	0.3	107.7	V175	V175-R177 PolarHBondContact O-N 3.15Å
178	Q	25	Very low	30.5	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	75%	0.747	S	S	*	*			trans	-51	145	165.9	-75	177.4	-29.5	0	0	110.2	Q176 T180	Q176-Q178 PolarHBondContact O-N 2.93Å; Q178-T180 PolarHBondContact O-N 3.19Å
179	P	29.8	Very low	30.7	Very low	128 Å²	128	143.6 Å²	143.6	83%	0.831	75%	0.745	S	S	*	*			trans	-63.9	114.4	-165.7	25.1	-32.7	0	0	0	110.4	M181	P179-M181 PolarHBondContact O-N 3.33Å; P179-M181 VanDerWaalsContact O-N 3.14Å
180	T	26.4	Very low	30.7	Very low	124 Å²	124	147.9 Å²	147.9	76%	0.761	75%	0.747	S	S	*	*			trans	-59.7	112.7	170.4	46	0	0	0	0	108.6	Q178 E182	Q178-T180 PolarHBondContact O-N 3.19Å; T180-E182 PolarHBondContact O-N 3.01Å; T180-E182 VanDerWaalsContact O-N 3.09Å
181	M	23.1	Very low	31.3	Very low	181 Å²	181	146.1 Å²	146.1	89%	0.892	74%	0.74	S	S	*	*			trans	-47.3	117.4	165.6	-87.4	175.7	71.2	0	0	108.9	P179 R183	P179-M181 PolarHBondContact O-N 3.33Å; P179-M181 VanDerWaalsContact O-N 3.14Å; M181-R183 PolarHBondContact O-N 3.49Å
182	E	26.4	Very low	31.7	Very low	172 Å²	172	146.4 Å²	146.4	80%	0.804	73%	0.733	S	S	*	*			trans	-51.2	112.7	169.5	-72.8	176.7	150.8	0	0	108.9	T180 R184	T180-E182 PolarHBondContact O-N 3.01Å; T180-E182 VanDerWaalsContact O-N 3.09Å; E182-R184 VanDerWaalsContact C-N 3.31Å; E182-R184 PolarHBondContact O-N 2.72Å
183	R	26.5	Very low	32.3	Very low	213 Å²	213	145.3 Å²	145.3	80%	0.804	71%	0.713	S	S	*	*			trans	-61.8	94.9	169	-85.8	-175.8	175.5	-158.3	3.4	108.1	M181 H185	M181-R183 PolarHBondContact O-N 3.49Å; R183-H185 PolarHBondContact O-N 2.79Å
184	R	28.8	Very low	33.1	Very low	226 Å²	226	142.6 Å²	142.6	85%	0.853	70%	0.699	S	S	*	*			trans	-67.1	78	165.8	-70	-175.6	178.7	-175.4	-0.6	109.6	E182	E182-R184 VanDerWaalsContact C-N 3.31Å; E182-R184 PolarHBondContact O-N 2.72Å
185	H	32.4	Very low	34.1	Very low	144 Å²	144	139.2 Å²	139.2	67%	0.667	68%	0.678	S	S	*	*			trans	-84.2	110.5	159.9	-77.3	-82.6	0	0	0	108	R183	R183-H185 PolarHBondContact O-N 2.79Å
186	S	37.6	Very low	34.9	Very low	88 Å²	88	137.5 Å²	137.5	62%	0.615	66%	0.661	S	S	*	*	S	Bend	trans	172.7	-17.1	132.3	63.5	0	0	0	0	115.3
187	D	34	Very low	35.6	Very low	103 Å²	103	135.9 Å²	135.9	55%	0.551	65%	0.646	S	S	*	*	S	Bend	trans	-110.4	-10.6	-171.3	-65.4	-23.8	0	0	0	115.3	W189 S191	D187-W189 PolarHBondContact O-N 2.82Å; D187-S191 PolarHBondContact O-N 3.44Å; D187-S191 PolarHBondContact O-OG 3.08Å
188	T	44.1	Very low	36.7	Very low	99 Å²	99	130.7 Å²	130.7	61%	0.607	63%	0.632	S	S	*	*	H	α-helix	trans	-69.6	-33.6	-178.2	40.4	0	0	0	0	113.8	N192	T188-N192 WeakPolarHBondContact O-CB 3.41Å; T188-N192 VanDerWaalsContact O-CG 3.32Å; T188-N192 PolarHBondContact O-N 3.22Å; T188-N192 PolarHBondContact O-ND2 2.94Å
189	W	40.1	Very low	37.7	Very low	161 Å²	161	128.6 Å²	128.6	61%	0.61	62%	0.622	S	S	*	*	H	α-helix	trans	-71.3	-43.3	177.9	174.4	38	0	0	0	112.3	D187 S191 N192 F193	D187-W189 PolarHBondContact O-N 2.82Å; W189-S191 VanDerWaalsContact C-N 3.28Å; W189-S191 PolarHBondContact O-N 2.96Å; W189-N192 PolarHBondContact O-N 2.87Å; W189-F193 WeakPolarHBondContact O-CB 3.1Å; W189-F193 PolarHBondContact O-N 3.06Å
190	R	35.4	Very low	38.3	Very low	177 Å²	177	128 Å²	128	67%	0.668	61%	0.607	S	S	*	*	H	α-helix	trans	-59	-41.4	174.7	-78.4	-174.3	176.5	132.5	-2.4	111.6	F193 L194	R190-F193 PolarHBondContact O-N 3.41Å; R190-L194 WeakPolarHBondContact O-CB 3.32Å; R190-L194 WeakPolarHBondContact O-CG 3.26Å; R190-L194 PolarHBondContact O-N 3.33Å
191	S	42.5	Very low	39	Very low	74 Å²	74	126 Å²	126	52%	0.517	60%	0.603	S	S	.	*	H	α-helix	trans	-65.6	-45.1	175.4	-62.9	0	0	0	0	112.4	D187 W189 F193 L194 A195	D187-S191 PolarHBondContact O-N 3.44Å; D187-S191 PolarHBondContact O-OG 3.08Å; W189-S191 VanDerWaalsContact C-N 3.28Å; W189-S191 PolarHBondContact O-N 2.96Å; S191-F193 VanDerWaalsContact C-N 3.32Å; S191-F193 PolarHBondContact O-N 3.15Å; S191-L194 PolarHBondContact O-N 3.43Å; S191-A195 WeakPolarHBondContact O-CB 3.12Å; S191-A195 PolarHBondContact O-N 3.31Å
192	N	43.7	Very low	39.7	Very low	108 Å²	108	121.8 Å²	121.8	58%	0.578	59%	0.588	S	S	*	*	H	α-helix	trans	-65.1	-35.9	176.5	-77.6	-17.7	0	0	0	112.3	T188 W189 K196	T188-N192 WeakPolarHBondContact O-CB 3.41Å; T188-N192 VanDerWaalsContact O-CG 3.32Å; T188-N192 PolarHBondContact O-N 3.22Å; T188-N192 PolarHBondContact O-ND2 2.94Å; W189-N192 PolarHBondContact O-N 2.87Å; N192-K196 WeakPolarHBondContact O-CB 3.48Å; N192-K196 PolarHBondContact O-N 2.86Å
193	F	43	Very low	40.1	Very low	59 Å²	59	122.3 Å²	122.3	26%	0.259	59%	0.587	S	S	.	*	H	α-helix	trans	-68.2	-48.9	177.1	178.4	-96.1	0	0	0	111.8	W189 R190 S191 A195 K196 R197 I803 D844	W189-F193 WeakPolarHBondContact O-CB 3.1Å; W189-F193 PolarHBondContact O-N 3.06Å; R190-F193 PolarHBondContact O-N 3.41Å; S191-F193 VanDerWaalsContact C-N 3.32Å; S191-F193 PolarHBondContact O-N 3.15Å; F193-A195 VanDerWaalsContact C-N 3.32Å; F193-A195 PolarHBondContact O-N 3.44Å; F193-K196 PolarHBondContact O-N 3.43Å; F193-R197 VanDerWaalsContact O-CB 3.3Å; F193-R197 WeakPolarHBondContact O-CB 3.32Å; F193-R197 PolarHBondContact O-N 3.43Å; F193-I803 HydrophobicContact CE2-CD1 4.18Å; F193-D844 HydrophobicContact CZ-CB 4.32Å
194	L	46.4	Very low	40.5	Very low	99 Å²	99	119 Å²	119	52%	0.518	59%	0.585	S	S	.	*	H	α-helix	trans	-63.1	-39.5	174.6	-78.8	163.8	0	0	0	111.4	R190 S191 Q198	R190-L194 WeakPolarHBondContact O-CB 3.32Å; R190-L194 WeakPolarHBondContact O-CG 3.26Å; R190-L194 PolarHBondContact O-N 3.33Å; S191-L194 PolarHBondContact O-N 3.43Å; L194-Q198 WeakPolarHBondContact O-CB 3.49Å; L194-Q198 VanDerWaalsContact O-CG 3.29Å; L194-Q198 WeakPolarHBondContact O-CG 3.34Å; L194-Q198 PolarHBondContact O-N 2.81Å
195	A	49.3	Very low	40.9	Very low	46 Å²	46	112 Å²	112	38%	0.38	57%	0.571	S	S	.	*	H	α-helix	trans	-66.4	-45.1	177.4	0	0	0	0	0	112.4	S191 F193 Q198 Q199	S191-A195 WeakPolarHBondContact O-CB 3.12Å; S191-A195 PolarHBondContact O-N 3.31Å; F193-A195 VanDerWaalsContact C-N 3.32Å; F193-A195 PolarHBondContact O-N 3.44Å; A195-Q198 PolarHBondContact O-N 2.84Å; A195-Q199 PolarHBondContact O-N 3.12Å
196	K	45.9	Very low	41.3	Very low	85 Å²	85	108.7 Å²	108.7	37%	0.37	57%	0.569	S	S	.	*	H	α-helix	trans	-64.8	-43.7	176	-90.4	-171.7	169	-167.3	0	111.4	N192 F193 Q198 Q199 F200 E807	N192-K196 WeakPolarHBondContact O-CB 3.48Å; N192-K196 PolarHBondContact O-N 2.86Å; F193-K196 PolarHBondContact O-N 3.43Å; K196-Q198 VanDerWaalsContact C-N 3.31Å; K196-Q198 PolarHBondContact O-N 2.77Å; K196-Q199 WeakPolarHBondContact O-CB 3.48Å; K196-Q199 PolarHBondContact O-N 3.33Å; K196-Q199 VanDerWaalsContact O-N 3.15Å; K196-F200 HydrophobicContact CB-CE2 4.46Å; K196-F200 WeakPolarHBondContact O-CD2 3.44Å; K196-F200 PolarHBondContact O-N 3.36Å; K196-E807 IonicContact NZ-OE1 2.77Å; K196-E807 IonicContact NZ-OE2 3.82Å; K196-E807 PolarHBondContact NZ-OE2 3.35Å
197	R	41.6	Very low	41.4	Very low	157 Å²	157	110.5 Å²	110.5	59%	0.592	57%	0.572	S	S	*	*	H	α-helix	trans	-61.3	-39.6	175.8	-177.4	175.2	157.2	160.8	-4	112.1	F193 F200 A201	F193-R197 VanDerWaalsContact O-CB 3.3Å; F193-R197 WeakPolarHBondContact O-CB 3.32Å; F193-R197 PolarHBondContact O-N 3.43Å; R197-F200 PolarHBondContact O-N 3.39Å; R197-A201 PolarHBondContact O-N 3.46Å; R197-A201 VanDerWaalsContact O-N 3.12Å
198	Q	49	Very low	41.4	Very low	126 Å²	126	115.4 Å²	115.4	59%	0.589	58%	0.584	S	S	*	*	H	α-helix	trans	-66.9	-40.2	173.4	-77.1	176.6	-6	0	0	111.9	L194 A195 K196 F200 A201 T202	L194-Q198 WeakPolarHBondContact O-CB 3.49Å; L194-Q198 VanDerWaalsContact O-CG 3.29Å; L194-Q198 WeakPolarHBondContact O-CG 3.34Å; L194-Q198 PolarHBondContact O-N 2.81Å; A195-Q198 PolarHBondContact O-N 2.84Å; K196-Q198 VanDerWaalsContact C-N 3.31Å; K196-Q198 PolarHBondContact O-N 2.77Å; Q198-F200 VanDerWaalsContact C-N 3.29Å; Q198-F200 PolarHBondContact O-N 3.33Å; Q198-A201 PolarHBondContact O-N 2.78Å; Q198-T202 WeakPolarHBondContact O-CG2 3.46Å; Q198-T202 PolarHBondContact O-N 3.18Å; Q198-T202 PolarHBondContact O-OG1 3.18Å
199	Q	46.4	Very low	41.2	Very low	130 Å²	130	117.1 Å²	117.1	61%	0.607	59%	0.585	S	S	*	*	H	α-helix	trans	-58.4	-38.7	174.6	-93	-175.7	-16.8	0	0	113.1	A195 K196 T202 K203	A195-Q199 PolarHBondContact O-N 3.12Å; K196-Q199 WeakPolarHBondContact O-CB 3.48Å; K196-Q199 PolarHBondContact O-N 3.33Å; K196-Q199 VanDerWaalsContact O-N 3.15Å; Q199-T202 PolarHBondContact O-N 3.36Å; Q199-K203 PolarHBondContact O-N 2.87Å
200	F	42	Very low	41.4	Very low	117 Å²	117	115.1 Å²	115.1	51%	0.513	59%	0.585	S	S	.	*	H	α-helix	trans	-73.3	-28.6	175.3	-69.5	-65	0	0	0	112.7	K196 R197 Q198	K196-F200 HydrophobicContact CB-CE2 4.46Å; K196-F200 WeakPolarHBondContact O-CD2 3.44Å; K196-F200 PolarHBondContact O-N 3.36Å; R197-F200 PolarHBondContact O-N 3.39Å; Q198-F200 VanDerWaalsContact C-N 3.29Å; Q198-F200 PolarHBondContact O-N 3.33Å
201	A	41.3	Very low	41.5	Very low	81 Å²	81	108.8 Å²	108.8	67%	0.669	58%	0.575	S	S	*	*	H	α-helix	trans	-75.4	-21.5	174.7	0	0	0	0	0	113.6	R197 Q198	R197-A201 PolarHBondContact O-N 3.46Å; R197-A201 VanDerWaalsContact O-N 3.12Å; Q198-A201 PolarHBondContact O-N 2.78Å
202	T	36.8	Very low	41.1	Very low	93 Å²	93	111.8 Å²	111.8	57%	0.571	58%	0.578	S	S	*	*			trans	-113.8	14.1	-174	65.7	0	0	0	0	114.9	Q198 Q199 D204	Q198-T202 WeakPolarHBondContact O-CG2 3.46Å; Q198-T202 PolarHBondContact O-N 3.18Å; Q198-T202 PolarHBondContact O-OG1 3.18Å; Q199-T202 PolarHBondContact O-N 3.36Å; T202-D204 PolarHBondContact O-N 3.44Å
203	K	34.8	Very low	41.1	Very low	183 Å²	183	113.1 Å²	113.1	80%	0.796	58%	0.581	S	S	*	*			trans	-78.4	78.8	163.6	-89.6	-175.7	176.5	176.2	0	108.6	Q199 S205	Q199-K203 PolarHBondContact O-N 2.87Å; K203-S205 PolarHBondContact O-N 3.43Å
204	D	36.2	Very low	41	Very low	142 Å²	142	116.7 Å²	116.7	76%	0.759	60%	0.602	S	S	*	*			trans	-56.1	82.6	166.5	-70	-37	0	0	0	109.7	T202 A206	T202-D204 PolarHBondContact O-N 3.44Å; D204-A206 PolarHBondContact O-N 3.31Å
205	S	35.9	Very low	40.6	Very low	79 Å²	79	118.4 Å²	118.4	55%	0.552	61%	0.611	S	S	*	*			trans	-73.7	114.9	159.1	-175	0	0	0	0	106.8	K203 D207 Y208	K203-S205 PolarHBondContact O-N 3.43Å; S205-D207 PolarHBondContact O-N 3.38Å; S205-Y208 PolarHBondContact O-N 3.2Å
206	A	41.1	Very low	40.3	Very low	76 Å²	76	120.2 Å²	120.2	63%	0.628	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-7.7	-177.1	0	0	0	0	0	114.6	D204 Y208	D204-A206 PolarHBondContact O-N 3.31Å; A206-Y208 VanDerWaalsContact C-N 3.33Å; A206-Y208 PolarHBondContact O-N 2.63Å
207	D	40.2	Very low	40.2	Very low	126 Å²	126	119.7 Å²	119.7	67%	0.674	63%	0.625	S	S	*	*	H	α-helix	trans	-70.8	-23.7	175.8	-72.2	-27.5	0	0	0	113.7	S205 H209	S205-D207 PolarHBondContact O-N 3.38Å; D207-H209 VanDerWaalsContact C-N 3.32Å; D207-H209 PolarHBondContact O-N 2.55Å
208	Y	34.1	Very low	40	Very low	206 Å²	206	120.7 Å²	120.7	81%	0.808	63%	0.634	S	S	*	*	H	α-helix	trans	-75.4	-20.4	-178.9	-139.7	-90.3	0	0	0	113.5	S205 A206	S205-Y208 PolarHBondContact O-N 3.2Å; A206-Y208 VanDerWaalsContact C-N 3.33Å; A206-Y208 PolarHBondContact O-N 2.63Å
209	H	38.6	Very low	39.5	Very low	134 Å²	134	118.6 Å²	118.6	62%	0.62	64%	0.638	S	S	*	*	H	α-helix	trans	-78	-24.1	179.4	-88.3	-66.5	0	0	0	113.8	D207 E213	D207-H209 VanDerWaalsContact C-N 3.32Å; D207-H209 PolarHBondContact O-N 2.55Å; H209-E213 PolarHBondContact O-N 3.39Å
210	I	44.7	Very low	39	Very low	120 Å²	120	117.1 Å²	117.1	62%	0.615	64%	0.642	S	S	*	*	H	α-helix	trans	-73.3	-33.1	177.8	-59.8	177.7	0	0	0	110.7	L214	I210-L214 PolarHBondContact O-N 3.05Å
211	G	38.4	Very low	38.5	Very low	44 Å²	44	116 Å²	116	45%	0.454	65%	0.649	S	S	.	*	H	α-helix	trans	-69	-33.8	178.6	0	0	0	0	0	114.2	L215	G211-L215 PolarHBondContact O-N 3.35Å
212	K	34.9	Very low	38.1	Very low	137 Å²	137	117.5 Å²	117.5	60%	0.596	65%	0.654	S	S	*	*	H	α-helix	trans	-82.4	-38.1	-174.8	-155.7	176.2	-176.6	179.3	0	113	L214 L215 I216	K212-L214 VanDerWaalsContact C-N 3.32Å; K212-L214 PolarHBondContact O-N 3.03Å; K212-L215 PolarHBondContact O-N 3.5Å; K212-I216 HydrophobicContact CG-CD1 4.18Å; K212-I216 VanDerWaalsContact O-CG1 3.32Å; K212-I216 WeakPolarHBondContact O-CG1 3.36Å; K212-I216 PolarHBondContact O-N 3.41Å
213	E	42.2	Very low	37.7	Very low	136 Å²	136	119.1 Å²	119.1	64%	0.636	67%	0.669	S	S	*	*	H	α-helix	trans	-65.7	-36.2	174	-78.1	-69.4	134	0	0	111.4	H209 L215 I216 A217	H209-E213 PolarHBondContact O-N 3.39Å; E213-L215 VanDerWaalsContact C-N 3.32Å; E213-L215 PolarHBondContact O-N 3.28Å; E213-I216 PolarHBondContact O-N 3.15Å; E213-A217 WeakPolarHBondContact O-CB 3.44Å; E213-A217 PolarHBondContact O-N 3.3Å
214	L	40.6	Very low	37.6	Very low	133 Å²	133	113.9 Å²	113.9	70%	0.696	67%	0.667	S	S	*	*	H	α-helix	trans	-68.1	-31.8	176.3	-138.3	92.3	0	0	0	112.8	I210 K212 K218	I210-L214 PolarHBondContact O-N 3.05Å; K212-L214 VanDerWaalsContact C-N 3.32Å; K212-L214 PolarHBondContact O-N 3.03Å; L214-K218 PolarHBondContact O-N 2.73Å
215	L	38.8	Very low	37.7	Very low	135 Å²	135	112.7 Å²	112.7	71%	0.707	67%	0.667	S	S	*	*	H	α-helix	trans	-76.1	-35.6	176.2	-118.8	100.2	0	0	0	112.5	G211 K212 E213 K218 A219	G211-L215 PolarHBondContact O-N 3.35Å; K212-L215 PolarHBondContact O-N 3.5Å; E213-L215 VanDerWaalsContact C-N 3.32Å; E213-L215 PolarHBondContact O-N 3.28Å; L215-K218 PolarHBondContact O-N 2.99Å; L215-A219 PolarHBondContact O-N 3.05Å
216	I	42.7	Very low	37.5	Very low	84 Å²	84	115.9 Å²	115.9	43%	0.431	68%	0.678	S	S	.	*	H	α-helix	trans	-72.4	-35.8	178.5	-65.9	168.3	0	0	0	110.9	K212 E213 K218 A219 S220	K212-I216 HydrophobicContact CG-CD1 4.18Å; K212-I216 VanDerWaalsContact O-CG1 3.32Å; K212-I216 WeakPolarHBondContact O-CG1 3.36Å; K212-I216 PolarHBondContact O-N 3.41Å; E213-I216 PolarHBondContact O-N 3.15Å; I216-K218 VanDerWaalsContact C-N 3.27Å; I216-K218 PolarHBondContact O-N 3.11Å; I216-A219 PolarHBondContact O-N 3.27Å; I216-S220 PolarHBondContact O-N 2.81Å; I216-S220 PolarHBondContact O-OG 3.04Å
217	A	43	Very low	37	Very low	74 Å²	74	119.9 Å²	119.9	61%	0.612	68%	0.684	S	S	*	*	H	α-helix	trans	-63.7	-33.1	173.3	0	0	0	0	0	112.3	E213	E213-A217 WeakPolarHBondContact O-CB 3.44Å; E213-A217 PolarHBondContact O-N 3.3Å
218	K	39.5	Very low	36.5	Very low	179 Å²	179	122.3 Å²	122.3	78%	0.778	69%	0.691	S	S	*	*	H	α-helix	trans	-81.8	-17.8	-179.8	-142.2	168.8	-172.8	175.2	0	114.1	L214 L215 I216	L214-K218 PolarHBondContact O-N 2.73Å; L215-K218 PolarHBondContact O-N 2.99Å; I216-K218 VanDerWaalsContact C-N 3.27Å; I216-K218 PolarHBondContact O-N 3.11Å
219	A	38.2	Very low	36.2	Very low	81 Å²	81	118.1 Å²	118.1	67%	0.669	69%	0.69	S	S	*	*	H	α-helix	trans	-92.3	-9.8	178.3	0	0	0	0	0	114.1	L215 I216	L215-A219 PolarHBondContact O-N 3.05Å; I216-A219 PolarHBondContact O-N 3.27Å
220	S	34.8	Very low	36.1	Very low	99 Å²	99	117.5 Å²	117.5	69%	0.692	70%	0.698	S	S	*	*	S	Bend	trans	-91.6	8.3	-174.6	-56.8	0	0	0	0	114.7	I216	I216-S220 PolarHBondContact O-N 2.81Å; I216-S220 PolarHBondContact O-OG 3.04Å
221	S	31	Very low	35.6	Very low	95 Å²	95	120 Å²	120	66%	0.664	71%	0.707	S	S	*	*			trans	-110.2	78.4	174.2	64.4	0	0	0	0	111.8
222	S	33.4	Very low	35.3	Very low	111 Å²	111	128.9 Å²	128.9	78%	0.776	73%	0.727	S	S	*	*			trans	-177	102.4	144.4	43.9	0	0	0	0	109.8
223	S	29.5	Very low	35.1	Very low	128 Å²	128	131.3 Å²	131.3	90%	0.895	74%	0.74	S	S	*	*			trans	-67	124.3	169.3	49.6	0	0	0	0	110.9
224	G	31.4	Very low	34.7	Very low	72 Å²	72	134.5 Å²	134.5	74%	0.742	75%	0.752	S	S	*	*			trans	-165.1	107.1	167.8	0	0	0	0	0	110.6
225	P	39.3	Very low	34.2	Very low	118 Å²	118	137.3 Å²	137.3	77%	0.766	76%	0.759	S	S	*	*			trans	-96.5	129.9	-178.3	34.4	-26.5	0	0	0	110.7
226	N	31.7	Very low	33.8	Very low	145 Å²	145	138.1 Å²	138.1	78%	0.775	76%	0.763	S	S	*	*			trans	179.6	117	132	-98	-9.4	0	0	0	112.4
227	E	30.7	Very low	33.3	Very low	160 Å²	160	141.9 Å²	141.9	75%	0.748	78%	0.784	S	S	*	*			trans	47.6	121.8	131.7	-67.9	-176.7	156	0	0	122.6
228	H	29.2	Very low	32.4	Very low	177 Å²	177	141.4 Å²	141.4	82%	0.819	79%	0.787	S	S	*	*			trans	72.1	100.2	136.7	-76.7	-14.2	0	0	0	120.1
229	C	27.6	Very low	32	Very low	118 Å²	118	142.7 Å²	142.7	80%	0.797	79%	0.792	S	S	*	*			trans	-147.1	120.4	136.7	-150.9	0	0	0	0	110.8	E231	C229-E231 PolarHBondContact O-N 3.07Å
230	P	36.7	Very low	31.5	Very low	121 Å²	121	149.1 Å²	149.1	79%	0.786	81%	0.806	S	S	*	*			trans	-96	85.4	-168.4	36.7	-31.5	0	0	0	112
231	E	34.2	Very low	31.3	Very low	174 Å²	174	153.5 Å²	153.5	81%	0.813	81%	0.812	S	S	*	*			trans	-121.8	0.5	169.3	-89	-175.5	154.1	0	0	114.5	C229	C229-E231 PolarHBondContact O-N 3.07Å
232	R	31.1	Very low	31.2	Very low	230 Å²	230	157.3 Å²	157.3	87%	0.868	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-9.9	-179.1	-125.2	177.5	-175.9	-159.4	0.7	115.7
233	Q	32.2	Very low	30.9	Very low	187 Å²	187	160.8 Å²	160.8	87%	0.874	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-3.5	-177.6	-98	179.5	-8.2	0	0	115.7
234	K	33.4	Very low	30.8	Very low	204 Å²	204	162 Å²	162	89%	0.887	82%	0.82	S	S	*	*	S	Bend	trans	-86.7	-10	172.2	-80.1	-174.9	178.2	175.1	0	114.5
235	F	29.6	Very low	30.5	Very low	192 Å²	192	169.8 Å²	169.8	84%	0.842	83%	0.827	S	S	*	*	S	Bend	trans	-91.7	-10.1	-173.2	-117.7	-85.4	0	0	0	115.6
236	L	31.4	Very low	29.9	Very low	151 Å²	151	172.4 Å²	172.4	79%	0.791	83%	0.833	S	S	*	*	S	Bend	trans	-113.2	-7.4	-169.3	-86.1	159.9	0	0	0	117.1
237	N	31	Very low	29.6	Very low	163 Å²	163	173.5 Å²	173.5	87%	0.872	83%	0.834	S	S	*	*	S	Bend	trans	-116.7	21.2	-175.2	-82.2	1.3	0	0	0	116.1
238	G	25.5	Very low	29.2	Very low	65 Å²	65	177.7 Å²	177.7	67%	0.67	84%	0.843	S	S	*	*	S	Bend	trans	-122.4	103.5	178.1	0	0	0	0	0	113.3
239	K	29.4	Very low	29.1	Very low	205 Å²	205	173.8 Å²	173.8	89%	0.891	84%	0.835	S	S	*	*			trans	86.5	78.4	161.9	-54	-175.8	177.2	-176.8	0	117.6
240	F	27.9	Very low	28.9	Very low	217 Å²	217	179.9 Å²	179.9	95%	0.952	84%	0.843	S	S	*	*			trans	-128.2	92	140.8	-104.4	-91.4	0	0	0	107.3
241	K	30.3	Very low	28.5	Very low	190 Å²	190	177.6 Å²	177.6	83%	0.826	83%	0.83	S	S	*	*			trans	-152	107.9	162.5	-106.2	-173.1	179.4	-173.4	0	109
242	E	28.9	Very low	28.5	Very low	175 Å²	175	176 Å²	176	82%	0.818	83%	0.827	S	S	*	*			trans	33.2	106.7	148.5	-67.9	169.3	158	0	0	118.1
243	H	28.4	Very low	28.6	Very low	184 Å²	184	171.6 Å²	171.6	85%	0.852	82%	0.817	S	S	*	*			trans	-134.8	76.9	151.4	-105.3	-80	0	0	0	108.2
244	D	26.9	Very low	28.6	Very low	154 Å²	154	170.3 Å²	170.3	82%	0.824	82%	0.816	S	S	*	*			trans	-72.4	146.4	153.5	-89.2	-33.1	0	0	0	108.9
245	R	25.8	Very low	28.6	Very low	235 Å²	235	163.6 Å²	163.6	89%	0.887	79%	0.789	S	S	*	*			trans	96.7	73.7	-173.3	-59.1	-179.3	175.8	-178.3	-0.2	115.2	E247	R245-E247 PolarHBondContact O-N 2.92Å
246	L	26.4	Very low	28.6	Very low	174 Å²	174	158 Å²	158	91%	0.911	77%	0.772	S	S	*	*			trans	-83.9	89.8	158	-113.9	122.3	0	0	0	109.2
247	E	24.2	Very low	28.8	Very low	168 Å²	168	157 Å²	157	79%	0.785	77%	0.767	S	S	*	*			trans	-72.4	121.6	163.2	-75.9	-171.1	160.3	0	0	109.6	R245 S249	R245-E247 PolarHBondContact O-N 2.92Å; E247-S249 PolarHBondContact O-N 3.19Å
248	R	23.6	Very low	29.2	Very low	247 Å²	247	158.3 Å²	158.3	93%	0.932	76%	0.761	S	S	*	*			trans	-67	98.6	170.1	-69.6	177.7	177.9	-176	-1.8	109
249	S	25.9	Very low	29.5	Very low	95 Å²	95	160.7 Å²	160.7	66%	0.664	76%	0.757	S	S	*	*			trans	-142.2	110.7	157.7	59.2	0	0	0	0	109.5	E247 S251	E247-S249 PolarHBondContact O-N 3.19Å; S249-S251 PolarHBondContact O-N 3.01Å; S249-S251 VanDerWaalsContact O-N 3.08Å
250	Y	24.8	Very low	29.4	Very low	247 Å²	247	156.9 Å²	156.9	97%	0.969	74%	0.737	S	S	*	*			trans	-64.2	103.5	168.4	-78.4	-100.4	0	0	0	107.4
251	S	28.6	Very low	29.4	Very low	72 Å²	72	154.1 Å²	154.1	50%	0.503	73%	0.727	S	S	.	*			trans	-116.1	139.3	160.9	79.6	0	0	0	0	108.1	S249 Q253	S249-S251 PolarHBondContact O-N 3.01Å; S249-S251 VanDerWaalsContact O-N 3.08Å; S251-Q253 PolarHBondContact O-N 2.81Å
252	D	32.3	Very low	29.4	Very low	140 Å²	140	150.5 Å²	150.5	75%	0.749	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-62.5	25.8	-172.8	-77.1	-38.7	0	0	0	115.5	N254 L255	D252-N254 VanDerWaalsContact C-N 3.31Å; D252-N254 PolarHBondContact O-N 3.47Å; D252-L255 HydrophobicContact CB-CD1 4.32Å
253	Q	35	Very low	29.3	Very low	139 Å²	139	154.5 Å²	154.5	65%	0.65	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-78.3	-10.7	-178.4	-64.3	-167.8	10.4	0	0	114	S251 R260	S251-Q253 PolarHBondContact O-N 2.81Å; Q253-R260 PolarHBondContact O-NH1 3.02Å; Q253-R260 PolarHBondContact O-NH2 3.47Å
254	N	32.2	Very low	29.4	Very low	160 Å²	160	150.7 Å²	150.7	86%	0.856	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-107.6	25.1	-176.3	-73.2	-25.2	0	0	0	115.2	D252	D252-N254 VanDerWaalsContact C-N 3.31Å; D252-N254 PolarHBondContact O-N 3.47Å
255	L	32.5	Very low	29.4	Very low	62 Å²	62	147.5 Å²	147.5	33%	0.325	72%	0.72	S	S	.	*	S	Bend	trans	-82.7	130.4	169.2	-85.3	142.9	0	0	0	111.4	D252 M259 R260	D252-L255 HydrophobicContact CB-CD1 4.32Å; L255-M259 HydrophobicContact CD2-CB 4.39Å; L255-M259 HydrophobicContact CD2-CE 3.72Å; L255-M259 HydrophobicContact CD2-SD 3.4Å; L255-M259 WeakPolarHBondContact CD2-SD 3.43Å; L255-R260 PolarHBondContact O-NH2 3.21Å
256	P	29.9	Very low	29.5	Very low	75 Å²	75	145.2 Å²	145.2	49%	0.487	72%	0.718	S	S	.	*			trans	-57.1	145.1	178.1	-24.3	33.2	0	0	0	113.3	Y258 M259	P256-Y258 HydrophobicContact CB-CD1 4.11Å; P256-Y258 HydrophobicContact CB-CE1 3.93Å; P256-Y258 PolarHBondContact O-N 3.1Å; P256-M259 PolarHBondContact O-N 3.38Å
257	N	34.9	Very low	29.6	Very low	130 Å²	130	143.3 Å²	143.3	70%	0.695	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-54.4	-24.6	-166.5	-75.4	-17.6	0	0	0	116.6	M259 R260	N257-M259 PolarHBondContact O-N 3.39Å; N257-R260 PolarHBondContact O-N 3.29Å; N257-R260 VanDerWaalsContact O-N 3.13Å
258	Y	39.2	Very low	29.7	Very low	190 Å²	190	146.8 Å²	146.8	75%	0.745	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-70.9	-18.5	176.5	73.7	-92.9	0	0	0	113	P256 R260	P256-Y258 HydrophobicContact CB-CD1 4.11Å; P256-Y258 HydrophobicContact CB-CE1 3.93Å; P256-Y258 PolarHBondContact O-N 3.1Å; Y258-R260 VanDerWaalsContact C-N 3.34Å
259	M	32.4	Very low	29.9	Very low	116 Å²	116	138 Å²	138	57%	0.571	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-87.3	-4.5	172.7	-64.8	-169.8	67.1	0	0	113	L255 P256 N257	L255-M259 HydrophobicContact CD2-CB 4.39Å; L255-M259 HydrophobicContact CD2-CE 3.72Å; L255-M259 HydrophobicContact CD2-SD 3.4Å; L255-M259 WeakPolarHBondContact CD2-SD 3.43Å; P256-M259 PolarHBondContact O-N 3.38Å; N257-M259 PolarHBondContact O-N 3.39Å
260	R	28.4	Very low	30	Very low	125 Å²	125	141.1 Å²	141.1	47%	0.472	72%	0.716	S	S	.	*			trans	-107.9	10.7	-171.3	-127.3	-169.8	-70.2	-137.3	2.1	114.5	Q253 L255 N257 Y258 P262	Q253-R260 PolarHBondContact O-NH1 3.02Å; Q253-R260 PolarHBondContact O-NH2 3.47Å; L255-R260 PolarHBondContact O-NH2 3.21Å; N257-R260 PolarHBondContact O-N 3.29Å; N257-R260 VanDerWaalsContact O-N 3.13Å; Y258-R260 VanDerWaalsContact C-N 3.34Å; R260-P262 VanDerWaalsContact O-CD 3.28Å; R260-P262 WeakPolarHBondContact O-CD 3.44Å
261	Q	26.9	Very low	30	Very low	158 Å²	158	134.5 Å²	134.5	74%	0.738	71%	0.706	S	S	*	*			trans	-80.8	114.6	176.8	-72.3	-161.2	-9.2	0	0	111.1
262	P	30.8	Very low	29.9	Very low	115 Å²	115	136.7 Å²	136.7	75%	0.747	72%	0.715	S	S	*	*			trans	-69.1	132.5	173	-5.8	23.1	0	0	0	108.4	R260 S264	R260-P262 VanDerWaalsContact O-CD 3.28Å; R260-P262 WeakPolarHBondContact O-CD 3.44Å; P262-S264 VanDerWaalsContact C-N 3.3Å; P262-S264 PolarHBondContact O-N 2.86Å
263	W	26.7	Very low	29.5	Very low	259 Å²	259	136.6 Å²	136.6	98%	0.981	72%	0.715	S	S	*	*			trans	-67.7	86.1	177.8	-68.9	25.1	0	0	0	109.8	A265	W263-A265 PolarHBondContact O-N 3.37Å
264	S	30.2	Very low	29	Very low	104 Å²	104	139 Å²	139	73%	0.727	72%	0.724	S	S	*	*			trans	-87.3	95.8	163.9	54.8	0	0	0	0	108.1	P262 H266	P262-S264 VanDerWaalsContact C-N 3.3Å; P262-S264 PolarHBondContact O-N 2.86Å; S264-H266 PolarHBondContact O-N 3.44Å
265	A	26.2	Very low	28.6	Very low	87 Å²	87	137.2 Å²	137.2	72%	0.719	72%	0.719	S	S	*	*			trans	-59.3	103.6	174.9	0	0	0	0	0	110.8	W263	W263-A265 PolarHBondContact O-N 3.37Å
266	H	29.3	Very low	28.2	Very low	186 Å²	186	142 Å²	142	86%	0.861	74%	0.744	S	S	*	*			trans	-93	95.5	153.6	-86.9	-37.1	0	0	0	108.4	S264 R268	S264-H266 PolarHBondContact O-N 3.44Å; H266-R268 PolarHBondContact O-N 2.95Å; H266-R268 VanDerWaalsContact O-N 3.15Å
267	V	27.7	Very low	27.9	Very low	134 Å²	134	144.1 Å²	144.1	81%	0.812	76%	0.755	S	S	*	*			trans	-60.6	107.8	163.7	178.1	0	0	0	0	107.8
268	R	27.2	Very low	27.3	Very low	241 Å²	241	149.5 Å²	149.5	91%	0.909	77%	0.766	S	S	*	*			trans	-139.1	121.1	150.4	-97.6	-177	-140.9	-132.1	1.9	107.3	H266	H266-R268 PolarHBondContact O-N 2.95Å; H266-R268 VanDerWaalsContact O-N 3.15Å
269	G	26	Very low	26.6	Very low	64 Å²	64	148.3 Å²	148.3	66%	0.66	76%	0.764	S	S	*	*			trans	-59.2	140.8	170.3	0	0	0	0	0	110
270	D	29.8	Very low	26.1	Very low	159 Å²	159	148.4 Å²	148.4	85%	0.85	78%	0.777	S	S	*	*				-161.8	141.4	103	-85.8	-26.7	0	0	0	109.1	V272	D270-V272 PolarHBondContact O-N 2.9Å
271	S	24.1	Very low	25.9	Very low	109 Å²	109	150.2 Å²	150.2	76%	0.762	79%	0.79	S	S	*	*			trans	-59.1	122.9	177.9	-172.4	0	0	0	0	110.5
272	V	26.8	Very low	25.7	Very low	117 Å²	117	146.4 Å²	146.4	71%	0.709	79%	0.794	S	S	*	*			trans	-130.5	102.1	163.6	-165.6	0	0	0	0	108.3	D270 F274	D270-V272 PolarHBondContact O-N 2.9Å; V272-F274 PolarHBondContact O-N 3.2Å
273	D	24.2	Very low	25.4	Very low	139 Å²	139	149.5 Å²	149.5	74%	0.743	80%	0.8	S	S	*	*			trans	-62.1	119.3	172.9	-84.3	-43.5	0	0	0	110.7	T275	D273-T275 PolarHBondContact O-N 2.88Å
274	F	23.9	Very low	25.2	Very low	189 Å²	189	142.8 Å²	142.8	83%	0.829	79%	0.79	S	S	*	*			trans	-90.9	90.1	168.1	-90.1	-90.3	0	0	0	109.6	V272	V272-F274 PolarHBondContact O-N 3.2Å
275	T	24.1	Very low	24.9	Very low	123 Å²	123	146.8 Å²	146.8	76%	0.755	80%	0.799	S	S	*	*			trans	-93.4	100.4	163.5	40.7	0	0	0	0	109.5	D273 V277	D273-T275 PolarHBondContact O-N 2.88Å; T275-V277 PolarHBondContact O-N 3.42Å
276	L	23.7	Very low	24.8	Very low	163 Å²	163	151.8 Å²	151.8	85%	0.853	81%	0.808	S	S	*	*			trans	-77.6	103	174.5	-113.3	151.8	0	0	0	109.5	R278	L276-R278 PolarHBondContact O-N 3.33Å
277	V	24.1	Very low	24.4	Very low	118 Å²	118	154.7 Å²	154.7	72%	0.715	81%	0.811	S	S	*	*			trans	-66.3	109.2	176	174.5	0	0	0	0	110	T275 K279	T275-V277 PolarHBondContact O-N 3.42Å; V277-K279 HydrophobicContact CG1-CG 4.49Å; V277-K279 PolarHBondContact O-N 3.45Å; V277-K279 VanDerWaalsContact O-N 3.15Å
278	R	22.4	Very low	24.2	Very low	243 Å²	243	154.2 Å²	154.2	92%	0.917	81%	0.814	S	S	*	*			trans	-70.4	100.6	165.8	-86.7	-178.3	172.7	171.7	-2.3	109	L276 S280	L276-R278 PolarHBondContact O-N 3.33Å; R278-S280 PolarHBondContact O-N 3.03Å
279	K	23.9	Very low	24	Very low	166 Å²	166	147.7 Å²	147.7	72%	0.722	81%	0.805	S	S	*	*			trans	-73.7	104	165.5	-84.3	-173.6	170.3	-168.3	0	109.6	V277	V277-K279 HydrophobicContact CG1-CG 4.49Å; V277-K279 PolarHBondContact O-N 3.45Å; V277-K279 VanDerWaalsContact O-N 3.15Å
280	S	22.3	Very low	23.8	Very low	118 Å²	118	148.8 Å²	148.8	83%	0.825	80%	0.803	S	S	*	*			trans	-90.6	93.1	160.4	54.5	0	0	0	0	108.3	R278	R278-S280 PolarHBondContact O-N 3.03Å
281	E	24.5	Very low	23.4	Very low	162 Å²	162	152 Å²	152	76%	0.757	80%	0.803	S	S	*	*			trans	-112.5	105.8	167.6	-79.5	179.1	-175.9	0	0	107.9
282	G	22	Very low	23.4	Very low	79 Å²	79	154.9 Å²	154.9	81%	0.814	81%	0.81	S	S	*	*			trans	-74.7	134.4	173.4	0	0	0	0	0	110.9
283	M	23.6	Very low	23.3	Very low	180 Å²	180	155.6 Å²	155.6	89%	0.887	81%	0.814	S	S	*	*			trans	-104.7	133.1	163.5	-84.5	-77.1	-174.3	0	0	108.7
284	P	24.4	Very low	23.3	Very low	117 Å²	117	152.5 Å²	152.5	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-84.5	122.2	-169.7	32.7	-31.7	0	0	0	111.2
285	M	23.1	Very low	23.2	Very low	188 Å²	188	149.3 Å²	149.3	93%	0.926	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83	122	174	-142.2	154.3	79.2	0	0	109.6	R287	M285-R287 PolarHBondContact O-N 3.29Å
286	Q	23.7	Very low	23.2	Very low	193 Å²	193	154.1 Å²	154.1	90%	0.902	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-59.4	129.5	-175.9	-76.3	176.5	-69.8	0	0	112	S288	Q286-S288 PolarHBondContact O-N 3.37Å
287	R	21.6	Very low	23.3	Very low	246 Å²	246	150.6 Å²	150.6	93%	0.928	81%	0.81	S	S	*	*			trans	-67.7	111.6	172.4	-70.7	179.2	175.6	-170.2	-2.4	109.8	M285	M285-R287 PolarHBondContact O-N 3.29Å
288	S	23	Very low	23.4	Very low	124 Å²	124	150.6 Å²	150.6	87%	0.867	82%	0.815	S	S	*	*			trans	-79	113.9	158.9	-172.7	0	0	0	0	108.4	Q286	Q286-S288 PolarHBondContact O-N 3.37Å
289	S	22.5	Very low	23.6	Very low	104 Å²	104	146.5 Å²	146.5	73%	0.727	81%	0.812	S	S	*	*			trans	-82	157.3	175	50.7	0	0	0	0	111.5
290	S	22.6	Very low	23.8	Very low	88 Å²	88	145.4 Å²	145.4	62%	0.615	81%	0.813	S	S	*	*			trans	92.9	114.9	177.8	-162.7	0	0	0	0	110.8
291	W	22	Very low	24.3	Very low	225 Å²	225	144 Å²	144	85%	0.852	81%	0.81	S	S	*	*			cis	-146.5	122.1	45.8	-74.5	73	0	0	0	111.1	V293	W291-V293 PolarHBondContact O-N 2.91Å
292	N	24.2	Very low	24.7	Very low	171 Å²	171	144 Å²	144	91%	0.914	82%	0.815	S	S	*	*			trans	-73.6	103.9	161.6	-81.9	-21.2	0	0	0	107.7	A294	N292-A294 PolarHBondContact O-N 2.74Å
293	V	24	Very low	25	Very low	131 Å²	131	151.1 Å²	151.1	79%	0.794	82%	0.817	S	S	*	*			trans	-81.7	106.2	166.3	177.8	0	0	0	0	107	W291	W291-V293 PolarHBondContact O-N 2.91Å
294	A	24.2	Very low	25.2	Very low	74 Å²	74	152.3 Å²	152.3	61%	0.612	82%	0.817	S	S	*	*			trans	-59.1	137.2	177.8	0	0	0	0	0	111.3	N292 Y296	N292-A294 PolarHBondContact O-N 2.74Å; A294-Y296 PolarHBondContact O-N 2.99Å
295	S	22	Very low	25.3	Very low	123 Å²	123	157.7 Å²	157.7	86%	0.86	82%	0.822	S	S	*	*			trans	-48.2	108.1	166.4	-63.1	0	0	0	0	111.2	A297	S295-A297 PolarHBondContact O-N 2.92Å
296	Y	23.5	Very low	25.6	Very low	223 Å²	223	156.8 Å²	156.8	88%	0.875	82%	0.821	S	S	*	*			trans	-78.9	103.8	160.2	-87.4	-86.7	0	0	0	108	A294 S298	A294-Y296 PolarHBondContact O-N 2.99Å; Y296-S298 PolarHBondContact O-N 3.31Å
297	A	26.7	Very low	25.7	Very low	90 Å²	90	159.2 Å²	159.2	74%	0.744	82%	0.822	S	S	*	*			trans	-66.6	120.8	168.5	0	0	0	0	0	109.5	S295 D299	S295-A297 PolarHBondContact O-N 2.92Å; A297-D299 PolarHBondContact O-N 2.99Å
298	S	25.4	Very low	26.1	Very low	117 Å²	117	159.6 Å²	159.6	82%	0.818	82%	0.823	S	S	*	*			trans	-4.1	108.4	151.6	-45.1	0	0	0	0	117.2	Y296	Y296-S298 PolarHBondContact O-N 3.31Å
299	D	26.6	Very low	26.5	Very low	158 Å²	158	163.1 Å²	163.1	85%	0.845	82%	0.823	S	S	*	*			trans	-146.3	82.1	153	-101.3	-21.9	0	0	0	108.1	A297	A297-D299 PolarHBondContact O-N 2.99Å
300	D	28.4	Very low	26.9	Very low	142 Å²	142	161.5 Å²	161.5	76%	0.759	82%	0.822	S	S	*	*			trans	-138.3	36.4	174.2	-108.6	-24	0	0	0	111.2	D302	D300-D302 PolarHBondContact O-N 3.05Å
301	A	31.6	Very low	27.6	Very low	90 Å²	90	163.8 Å²	163.8	74%	0.744	83%	0.833	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	2.1	179.6	0	0	0	0	0	114.8
302	D	33.3	Very low	28.1	Very low	162 Å²	162	161.2 Å²	161.2	87%	0.866	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	9.9	-174.5	-92.4	-25.9	0	0	0	116.4	D300	D300-D302 PolarHBondContact O-N 3.05Å
303	R	28.4	Very low	28.5	Very low	228 Å²	228	156.8 Å²	156.8	86%	0.86	81%	0.811	S	S	*	*	S	Bend	trans	-103.8	9.4	174.3	-95.5	-177.4	-178.5	179.3	2.6	116.8
304	F	27.3	Very low	29.3	Very low	204 Å²	204	154.4 Å²	154.4	90%	0.895	80%	0.8	S	S	*	*			trans	-95.9	10.2	179.5	-96.4	-77.9	0	0	0	116.7
305	R	27.4	Very low	29.8	Very low	230 Å²	230	160 Å²	160	87%	0.868	81%	0.805	S	S	*	*	S	Bend	trans	-112.8	83.3	171.5	-70.4	-176.3	-179.4	170	2.4	110.8
306	L	28.5	Very low	30.9	Very low	169 Å²	169	159.8 Å²	159.8	89%	0.885	79%	0.794	S	S	*	*	S	Bend	trans	169.1	64.7	141.7	-107.4	88.4	0	0	0	111.4
307	R	26.3	Very low	31.9	Very low	245 Å²	245	151.1 Å²	151.1	93%	0.925	77%	0.769	S	S	*	*			trans	-141.9	86.8	152.5	-100	-173.1	176.7	-163.8	-0.7	107.9	K309	R307-K309 PolarHBondContact O-N 2.63Å
308	R	30.6	Very low	32.4	Very low	254 Å²	254	153.6 Å²	153.6	96%	0.958	76%	0.759	S	S	*	*			trans	-60	107.1	170	-77	-176.4	178.7	-176.7	-0.3	107.3	G310	R308-G310 PolarHBondContact O-N 3.44Å
309	K	31.8	Very low	33.3	Very low	197 Å²	197	151.6 Å²	151.6	86%	0.857	74%	0.739	S	S	*	*			trans	-52.5	106.8	170.6	-78.3	177.6	173.6	177.5	0	108.6	R307 V311	R307-K309 PolarHBondContact O-N 2.63Å; K309-V311 PolarHBondContact O-N 2.88Å
310	G	30.5	Very low	34.5	Very low	70 Å²	70	148.7 Å²	148.7	72%	0.722	73%	0.727	S	S	*	*			trans	-57.9	119.3	155.7	0	0	0	0	0	106.7	R308 Q312	R308-G310 PolarHBondContact O-N 3.44Å; G310-Q312 PolarHBondContact O-N 3.25Å
311	V	36.8	Very low	35.4	Very low	137 Å²	137	145.9 Å²	145.9	83%	0.83	72%	0.715	S	S	*	*			trans	-62.2	103.7	-178.3	176.4	0	0	0	0	107.2	K309	K309-V311 PolarHBondContact O-N 2.88Å
312	Q	32.1	Very low	36	Very low	171 Å²	171	144.4 Å²	144.4	80%	0.799	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-60	129.9	168.7	-96.7	-155.1	-28.2	0	0	108.2	G310 S314	G310-Q312 PolarHBondContact O-N 3.25Å; Q312-S314 PolarHBondContact O-N 2.95Å
313	P	33.4	Very low	36.8	Very low	78 Å²	78	142.7 Å²	142.7	51%	0.506	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-60.5	137.8	176.1	18.5	-23.4	0	0	0	109.5	A317	P313-A317 HydrophobicContact CB-CB 4.06Å
314	S	39.7	Very low	38.3	Very low	81 Å²	81	134.7 Å²	134.7	57%	0.566	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-60	154.2	-175	60.6	0	0	0	0	111.5	Q312 N316 A317 W318	Q312-S314 PolarHBondContact O-N 2.95Å; S314-N316 PolarHBondContact O-N 3.48Å; S314-A317 WeakPolarHBondContact O-CA 3.3Å; S314-A317 VanDerWaalsContact O-CB 3.29Å; S314-A317 WeakPolarHBondContact O-CB 3.46Å; S314-A317 PolarHBondContact O-N 2.86Å; S314-W318 PolarHBondContact O-N 2.98Å
315	W	35.3	Very low	39.3	Very low	190 Å²	190	129.1 Å²	129.1	72%	0.72	64%	0.644	S	S	*	*	H	α-helix	trans	-50.2	-34.4	-178.7	-166.7	-122.7	0	0	0	113.6	A317 W318 N319	W315-A317 PolarHBondContact O-N 3.36Å; W315-W318 HydrophobicContact CE3-CB 4.42Å; W315-W318 WeakPolarHBondContact O-CB 3.46Å; W315-W318 PolarHBondContact O-N 3.19Å; W315-N319 PolarHBondContact O-N 3.37Å
316	N	46.2	Very low	40.4	Very low	120 Å²	120	121.8 Å²	121.8	64%	0.642	62%	0.622	S	S	*	*	H	α-helix	trans	-66.2	-34.7	174.8	-72.2	11.5	0	0	0	113.3	S314 W318 T320	S314-N316 PolarHBondContact O-N 3.48Å; N316-W318 VanDerWaalsContact C-N 3.32Å; N316-T320 PolarHBondContact O-N 3.04Å; N316-T320 PolarHBondContact O-OG1 3.3Å
317	A	43.4	Very low	42.1	Very low	40 Å²	40	116.3 Å²	116.3	33%	0.331	60%	0.6	S	S	.	*	H	α-helix	trans	-67.7	-36.2	174.7	0	0	0	0	0	111	P313 S314 W315 T320 V321	P313-A317 HydrophobicContact CB-CB 4.06Å; S314-A317 WeakPolarHBondContact O-CA 3.3Å; S314-A317 VanDerWaalsContact O-CB 3.29Å; S314-A317 WeakPolarHBondContact O-CB 3.46Å; S314-A317 PolarHBondContact O-N 2.86Å; W315-A317 PolarHBondContact O-N 3.36Å; A317-T320 PolarHBondContact O-N 3.41Å; A317-V321 WeakPolarHBondContact O-CG2 3.48Å; A317-V321 PolarHBondContact O-N 3.38Å
318	W	37.4	Very low	44	Very low	143 Å²	143	110.8 Å²	110.8	54%	0.542	59%	0.585	S	S	.	*	H	α-helix	trans	-65.2	-48	173.8	-104.3	90.4	0	0	0	112.4	S314 W315 N316 T320 V321 V322	S314-W318 PolarHBondContact O-N 2.98Å; W315-W318 HydrophobicContact CE3-CB 4.42Å; W315-W318 WeakPolarHBondContact O-CB 3.46Å; W315-W318 PolarHBondContact O-N 3.19Å; N316-W318 VanDerWaalsContact C-N 3.32Å; W318-T320 VanDerWaalsContact C-N 3.26Å; W318-T320 PolarHBondContact O-N 3.33Å; W318-V321 PolarHBondContact O-N 3.22Å; W318-V321 VanDerWaalsContact O-N 3.09Å; W318-V322 HydrophobicContact CE3-CG2 4.19Å; W318-V322 WeakPolarHBondContact O-CG2 3.31Å; W318-V322 PolarHBondContact O-N 3.21Å
319	N	43.9	Very low	45	Very low	75 Å²	75	107.1 Å²	107.1	40%	0.401	57%	0.571	S	S	.	*	H	α-helix	trans	-60.1	-38.5	176	-78.3	-5.7	0	0	0	112	W315 V321 V322 E323	W315-N319 PolarHBondContact O-N 3.37Å; N319-V321 VanDerWaalsContact C-N 3.29Å; N319-V321 PolarHBondContact O-N 3.19Å; N319-V322 PolarHBondContact O-N 3.29Å; N319-E323 WeakPolarHBondContact O-CB 3.43Å; N319-E323 VanDerWaalsContact O-CG 3.23Å; N319-E323 WeakPolarHBondContact O-CG 3.43Å; N319-E323 PolarHBondContact O-N 3.26Å
320	T	52.2	Low	46.6	Very low	97 Å²	97	103.5 Å²	103.5	60%	0.595	56%	0.557	S	S	*	*	H	α-helix	trans	-61.9	-37.6	176.5	-51.8	0	0	0	0	111.8	N316 A317 W318 A324	N316-T320 PolarHBondContact O-N 3.04Å; N316-T320 PolarHBondContact O-OG1 3.3Å; A317-T320 PolarHBondContact O-N 3.41Å; W318-T320 VanDerWaalsContact C-N 3.26Å; W318-T320 PolarHBondContact O-N 3.33Å; T320-A324 VanDerWaalsContact O-CB 3.31Å; T320-A324 WeakPolarHBondContact O-CB 3.36Å; T320-A324 PolarHBondContact O-N 3.39Å
321	V	47.6	Very low	47.9	Very low	83 Å²	83	105.9 Å²	105.9	50%	0.503	55%	0.55	S	S	.	.	H	α-helix	trans	-70.6	-43.2	176.6	173.2	0	0	0	0	111.3	A317 W318 N319 A324 I325	A317-V321 WeakPolarHBondContact O-CG2 3.48Å; A317-V321 PolarHBondContact O-N 3.38Å; W318-V321 PolarHBondContact O-N 3.22Å; W318-V321 VanDerWaalsContact O-N 3.09Å; N319-V321 VanDerWaalsContact C-N 3.29Å; N319-V321 PolarHBondContact O-N 3.19Å; V321-A324 PolarHBondContact O-N 3.5Å; V321-I325 HydrophobicContact CG1-CD1 3.9Å; V321-I325 VanDerWaalsContact O-CG1 3.29Å; V321-I325 WeakPolarHBondContact O-CG1 3.3Å; V321-I325 PolarHBondContact O-N 2.91Å
322	V	42.9	Very low	49	Very low	58 Å²	58	104.1 Å²	104.1	35%	0.352	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-45.9	178.8	174	0	0	0	0	110.9	W318 N319 A324 I325 I326	W318-V322 HydrophobicContact CE3-CG2 4.19Å; W318-V322 WeakPolarHBondContact O-CG2 3.31Å; W318-V322 PolarHBondContact O-N 3.21Å; N319-V322 PolarHBondContact O-N 3.29Å; V322-A324 VanDerWaalsContact C-N 3.31Å; V322-A324 PolarHBondContact O-N 3.19Å; V322-I325 PolarHBondContact O-N 3.16Å; V322-I326 HydrophobicContact CG1-CD1 3.9Å; V322-I326 WeakPolarHBondContact O-CG1 3.48Å; V322-I326 PolarHBondContact O-N 3.44Å
323	E	51.8	Low	49.5	Very low	127 Å²	127	104.9 Å²	104.9	59%	0.593	53%	0.528	S	S	*	.	H	α-helix	trans	-61	-39.5	175.3	-70.9	-70.1	157.2	0	0	111.6	N319 I326 A327	N319-E323 WeakPolarHBondContact O-CB 3.43Å; N319-E323 VanDerWaalsContact O-CG 3.23Å; N319-E323 WeakPolarHBondContact O-CG 3.43Å; N319-E323 PolarHBondContact O-N 3.26Å; E323-I326 PolarHBondContact O-N 2.77Å; E323-A327 WeakPolarHBondContact O-CB 3.34Å; E323-A327 PolarHBondContact O-N 3.42Å
324	A	58.5	Low	50.3	Low	59 Å²	59	106 Å²	106	49%	0.488	53%	0.53	S	S	.	.	H	α-helix	trans	-64.2	-40.2	175.1	0	0	0	0	0	112.6	T320 V321 V322 A327 E328	T320-A324 VanDerWaalsContact O-CB 3.31Å; T320-A324 WeakPolarHBondContact O-CB 3.36Å; T320-A324 PolarHBondContact O-N 3.39Å; V321-A324 PolarHBondContact O-N 3.5Å; V322-A324 VanDerWaalsContact C-N 3.31Å; V322-A324 PolarHBondContact O-N 3.19Å; A324-A327 PolarHBondContact O-N 2.75Å; A324-E328 WeakPolarHBondContact O-CB 3.3Å; A324-E328 PolarHBondContact O-N 3.29Å
325	I	48	Very low	51	Low	88 Å²	88	108.1 Å²	108.1	45%	0.451	53%	0.531	S	S	.	.	H	α-helix	trans	-66.7	-40.3	176.5	-67.9	165	0	0	0	111	V321 V322 E328 R329	V321-I325 HydrophobicContact CG1-CD1 3.9Å; V321-I325 VanDerWaalsContact O-CG1 3.29Å; V321-I325 WeakPolarHBondContact O-CG1 3.3Å; V321-I325 PolarHBondContact O-N 2.91Å; V322-I325 PolarHBondContact O-N 3.16Å; I325-E328 PolarHBondContact O-N 3.01Å; I325-R329 WeakPolarHBondContact O-CB 3.3Å; I325-R329 VanDerWaalsContact O-CG 3.26Å; I325-R329 WeakPolarHBondContact O-CG 3.5Å; I325-R329 PolarHBondContact O-N 3.34Å
326	I	51.5	Low	51.5	Low	76 Å²	76	105 Å²	105	39%	0.39	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-46.5	176.2	-67.1	167.4	0	0	0	109.8	V322 E323 E328 R329 E330	V322-I326 HydrophobicContact CG1-CD1 3.9Å; V322-I326 WeakPolarHBondContact O-CG1 3.48Å; V322-I326 PolarHBondContact O-N 3.44Å; E323-I326 PolarHBondContact O-N 2.77Å; I326-E328 VanDerWaalsContact C-N 3.35Å; I326-E328 PolarHBondContact O-N 3.17Å; I326-R329 PolarHBondContact O-N 2.89Å; I326-E330 HydrophobicContact CG2-CG 4.48Å; I326-E330 WeakPolarHBondContact O-CG 3.39Å; I326-E330 PolarHBondContact O-N 2.63Å
327	A	63.8	Low	51.2	Low	53 Å²	53	104.6 Å²	104.6	44%	0.438	53%	0.526	S	S	.	.	H	α-helix	trans	-61.3	-41.3	177.6	0	0	0	0	0	112.3	E323 A324 E330 Q331	E323-A327 WeakPolarHBondContact O-CB 3.34Å; E323-A327 PolarHBondContact O-N 3.42Å; A324-A327 PolarHBondContact O-N 2.75Å; A327-E330 PolarHBondContact O-N 3.03Å; A327-Q331 WeakPolarHBondContact O-CB 3.47Å; A327-Q331 PolarHBondContact O-N 3.29Å
328	E	67.2	Low	50.9	Low	130 Å²	130	112.8 Å²	112.8	61%	0.607	55%	0.55	S	S	*	.	H	α-helix	trans	-63.6	-41.8	175.8	-165.9	173.8	-148.2	0	0	111.3	A324 I325 I326 Q331 E332	A324-E328 WeakPolarHBondContact O-CB 3.3Å; A324-E328 PolarHBondContact O-N 3.29Å; I325-E328 PolarHBondContact O-N 3.01Å; I326-E328 VanDerWaalsContact C-N 3.35Å; I326-E328 PolarHBondContact O-N 3.17Å; E328-Q331 WeakPolarHBondContact O-CB 3.41Å; E328-Q331 PolarHBondContact O-N 3.41Å; E328-E332 WeakPolarHBondContact O-CG 3.44Å; E328-E332 PolarHBondContact O-N 3.02Å
329	R	51.8	Low	50.7	Low	176 Å²	176	110.6 Å²	110.6	66%	0.664	56%	0.555	S	S	*	*	H	α-helix	trans	-67.4	-36	175.9	-75.5	-80.3	-173.9	134.8	0.6	113.2	I325 I326 R333	I325-R329 WeakPolarHBondContact O-CB 3.3Å; I325-R329 VanDerWaalsContact O-CG 3.26Å; I325-R329 WeakPolarHBondContact O-CG 3.5Å; I325-R329 PolarHBondContact O-N 3.34Å; I326-R329 PolarHBondContact O-N 2.89Å; R329-R333 WeakPolarHBondContact O-CB 3.34Å; R329-R333 PolarHBondContact O-N 3.5Å
330	E	65.1	Low	50	Low	121 Å²	121	117.6 Å²	117.6	57%	0.565	58%	0.576	S	S	*	*	H	α-helix	trans	-71.1	-36.4	174.3	-75.5	-172.5	164.8	0	0	111.7	I326 A327 R333 N334	I326-E330 HydrophobicContact CG2-CG 4.48Å; I326-E330 WeakPolarHBondContact O-CG 3.39Å; I326-E330 PolarHBondContact O-N 2.63Å; A327-E330 PolarHBondContact O-N 3.03Å; E330-R333 WeakPolarHBondContact O-CB 3.35Å; E330-R333 PolarHBondContact O-N 3.09Å; E330-N334 WeakPolarHBondContact O-CB 3.39Å; E330-N334 PolarHBondContact O-N 2.81Å; E330-N334 PolarHBondContact O-ND2 3.24Å
331	Q	58.1	Low	48.9	Very low	120 Å²	120	122.8 Å²	122.8	56%	0.561	59%	0.586	S	S	*	*	H	α-helix	trans	-62.1	-48.4	172.1	-168.3	95	9.8	0	0	110.7	A327 E328 R333 N334 E335	A327-Q331 WeakPolarHBondContact O-CB 3.47Å; A327-Q331 PolarHBondContact O-N 3.29Å; E328-Q331 WeakPolarHBondContact O-CB 3.41Å; E328-Q331 PolarHBondContact O-N 3.41Å; Q331-R333 PolarHBondContact O-N 3.46Å; Q331-N334 PolarHBondContact O-N 3.3Å; Q331-E335 WeakPolarHBondContact O-CG 3.44Å; Q331-E335 PolarHBondContact O-N 3.39Å
332	E	58.7	Low	48.3	Very low	100 Å²	100	124.8 Å²	124.8	47%	0.467	60%	0.601	S	S	.	*	H	α-helix	trans	-58.2	-36.6	174.5	-75.6	-179.3	166.4	0	0	111.8	E328 N336	E328-E332 WeakPolarHBondContact O-CG 3.44Å; E328-E332 PolarHBondContact O-N 3.02Å; E332-N336 WeakPolarHBondContact O-CB 3.34Å; E332-N336 VanDerWaalsContact O-CG 3.25Å; E332-N336 PolarHBondContact O-N 3.12Å; E332-N336 PolarHBondContact O-ND2 3.29Å
333	R	43	Very low	47.7	Very low	188 Å²	188	127.7 Å²	127.7	71%	0.709	62%	0.624	S	S	*	*	H	α-helix	trans	-69.1	-44.1	177.2	-154.6	-177.2	-137.1	-162.2	4.8	111.6	R329 E330 Q331 N336 D337	R329-R333 WeakPolarHBondContact O-CB 3.34Å; R329-R333 PolarHBondContact O-N 3.5Å; E330-R333 WeakPolarHBondContact O-CB 3.35Å; E330-R333 PolarHBondContact O-N 3.09Å; Q331-R333 PolarHBondContact O-N 3.46Å; R333-N336 PolarHBondContact O-N 3.02Å; R333-D337 PolarHBondContact O-N 3.24Å
334	N	51.1	Low	46.6	Very low	101 Å²	101	132.1 Å²	132.1	54%	0.54	64%	0.635	S	S	.	*	H	α-helix	trans	-66.8	-38.8	177.4	-75.9	-24.1	0	0	0	112	E330 Q331 N336 D337 Y338	E330-N334 WeakPolarHBondContact O-CB 3.39Å; E330-N334 PolarHBondContact O-N 2.81Å; E330-N334 PolarHBondContact O-ND2 3.24Å; Q331-N334 PolarHBondContact O-N 3.3Å; N334-N336 VanDerWaalsContact C-N 3.33Å; N334-D337 PolarHBondContact O-N 2.92Å; N334-Y338 WeakPolarHBondContact O-CD2 3.26Å; N334-Y338 PolarHBondContact O-N 3.34Å
335	E	52.6	Low	45.1	Very low	125 Å²	125	135.9 Å²	135.9	58%	0.584	65%	0.652	S	S	*	*	H	α-helix	trans	-65.5	-37.1	174.5	-74.7	-175.4	-178.4	0	0	111.8	Q331 D337 Y338	Q331-E335 WeakPolarHBondContact O-CG 3.44Å; Q331-E335 PolarHBondContact O-N 3.39Å; E335-D337 VanDerWaalsContact C-N 3.33Å; E335-D337 PolarHBondContact O-N 3.44Å; E335-Y338 PolarHBondContact O-N 2.77Å
336	N	46.6	Very low	44.2	Very low	126 Å²	126	139.3 Å²	139.3	67%	0.674	67%	0.666	S	S	*	*	H	α-helix	trans	-69.7	-28.8	175	-77.7	-44	0	0	0	113.2	E332 R333 N334	E332-N336 WeakPolarHBondContact O-CB 3.34Å; E332-N336 VanDerWaalsContact O-CG 3.25Å; E332-N336 PolarHBondContact O-N 3.12Å; E332-N336 PolarHBondContact O-ND2 3.29Å; R333-N336 PolarHBondContact O-N 3.02Å; N334-N336 VanDerWaalsContact C-N 3.33Å
337	D	40.7	Very low	43	Very low	110 Å²	110	141.5 Å²	141.5	59%	0.588	69%	0.688	S	S	*	*	H	α-helix	trans	-76.8	-19	175.7	-90.5	-22.8	0	0	0	113.6	R333 N334 E335 C339	R333-D337 PolarHBondContact O-N 3.24Å; N334-D337 PolarHBondContact O-N 2.92Å; E335-D337 VanDerWaalsContact C-N 3.33Å; E335-D337 PolarHBondContact O-N 3.44Å; D337-C339 PolarHBondContact O-N 3.07Å
338	Y	36.9	Very low	41.2	Very low	212 Å²	212	146.9 Å²	146.9	83%	0.831	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-5.8	174.7	-94.4	-80.2	0	0	0	114.4	N334 E335 R340	N334-Y338 WeakPolarHBondContact O-CD2 3.26Å; N334-Y338 PolarHBondContact O-N 3.34Å; E335-Y338 PolarHBondContact O-N 2.77Å; Y338-R340 PolarHBondContact O-N 3.23Å
339	C	32.5	Very low	39.5	Very low	98 Å²	98	146.3 Å²	146.3	66%	0.662	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	25.4	177.2	-76.8	0	0	0	0	114.6	D337	D337-C339 PolarHBondContact O-N 3.07Å
340	R	29	Very low	38.2	Very low	222 Å²	222	147.8 Å²	147.8	84%	0.838	72%	0.722	S	S	*	*			trans	-94.8	98.4	168	-110.4	179.4	-175.5	158.1	3.1	111.5	Y338	Y338-R340 PolarHBondContact O-N 3.23Å
341	Y	30.2	Very low	36.5	Very low	206 Å²	206	151.1 Å²	151.1	81%	0.808	74%	0.737	S	S	*	*			trans	-54.2	145.6	175.8	-77.9	-92.4	0	0	0	113.7	S343	Y341-S343 PolarHBondContact O-N 3.31Å
342	P	34.9	Very low	34.8	Very low	124 Å²	124	155.5 Å²	155.5	81%	0.805	75%	0.75	S	S	*	*			trans	-75.8	111.9	-170.7	30.6	-32.1	0	0	0	110.6	R344	P342-R344 PolarHBondContact O-N 3.36Å; P342-R344 VanDerWaalsContact O-N 3.17Å
343	S	29.9	Very low	33.3	Very low	119 Å²	119	153.8 Å²	153.8	83%	0.832	76%	0.759	S	S	*	*			trans	-75.3	106.5	177.7	-63.6	0	0	0	0	110.1	Y341 T345	Y341-S343 PolarHBondContact O-N 3.31Å; S343-T345 PolarHBondContact O-N 3.12Å
344	R	27.7	Very low	32.7	Very low	220 Å²	220	151.2 Å²	151.2	83%	0.83	77%	0.765	S	S	*	*			trans	-45.2	120.5	173.2	-160.1	174.7	-171.5	177.7	2	111.3	P342 Q346	P342-R344 PolarHBondContact O-N 3.36Å; P342-R344 VanDerWaalsContact O-N 3.17Å; R344-Q346 PolarHBondContact O-N 3.06Å
345	T	26.9	Very low	31.5	Very low	139 Å²	139	158.5 Å²	158.5	85%	0.853	78%	0.784	S	S	*	*			trans	-63.4	108.4	173.1	41.3	0	0	0	0	110.1	S343	S343-T345 PolarHBondContact O-N 3.12Å
346	Q	29.6	Very low	30.4	Very low	159 Å²	159	160.1 Å²	160.1	74%	0.743	79%	0.792	S	S	*	*			trans	-117.9	112.5	159.9	-74.4	-170.5	0.4	0	0	108.6	R344 L348	R344-Q346 PolarHBondContact O-N 3.06Å; Q346-L348 PolarHBondContact O-N 3.21Å
347	S	26.5	Very low	29.5	Very low	122 Å²	122	159.2 Å²	159.2	85%	0.853	80%	0.802	S	S	*	*			trans	-62.1	113	175.8	36.5	0	0	0	0	110.5
348	L	26.7	Very low	29	Very low	166 Å²	166	161.9 Å²	161.9	87%	0.869	81%	0.811	S	S	*	*			trans	-95	131.8	168.2	-83.1	161.9	0	0	0	109.8	Q346	Q346-L348 PolarHBondContact O-N 3.21Å
349	P	31	Very low	28.7	Very low	118 Å²	118	156.7 Å²	156.7	77%	0.766	80%	0.803	S	S	*	*			trans	-78.6	136.4	-176.2	-4.5	21.8	0	0	0	112	H351	P349-H351 PolarHBondContact O-N 3.12Å
350	R	24.7	Very low	28.6	Very low	208 Å²	208	159.8 Å²	159.8	79%	0.785	81%	0.811	S	S	*	*			trans	-61.8	112.5	168	-82	175.7	165.1	165.8	-3.8	110.5	Y352	R350-Y352 HydrophobicContact CG-CE2 4.46Å
351	H	29.1	Very low	28.8	Very low	190 Å²	190	156.7 Å²	156.7	88%	0.88	81%	0.81	S	S	*	*			trans	-126.8	112.6	151.9	-90.5	13.3	0	0	0	109.3	P349	P349-H351 PolarHBondContact O-N 3.12Å
352	Y	23.2	Very low	28.9	Very low	212 Å²	212	151.7 Å²	151.7	83%	0.831	80%	0.802	S	S	*	*			trans	-82	127.8	169	-78	-94	0	0	0	108.1	R350	R350-Y352 HydrophobicContact CG-CE2 4.46Å
353	G	27.1	Very low	28.8	Very low	64 Å²	64	150 Å²	150	66%	0.66	79%	0.791	S	S	*	*			trans	-176.2	92.2	177.9	0	0	0	0	0	112.1
354	T	28.8	Very low	29.3	Very low	134 Å²	134	150.8 Å²	150.8	82%	0.822	79%	0.786	S	S	*	*			trans	27.2	100.1	146.3	1.4	0	0	0	0	117.9	H356	T354-H356 PolarHBondContact O-N 3.01Å
355	R	26.7	Very low	29.9	Very low	254 Å²	254	146 Å²	146	96%	0.958	77%	0.772	S	S	*	*			trans	-70	94.2	169.1	-77.6	-177.6	174.2	-175	-2	110.8
356	H	30.2	Very low	31.3	Very low	160 Å²	160	142.8 Å²	142.8	74%	0.741	76%	0.755	S	S	*	*			trans	-80.3	135.9	144.8	-82.4	-72.4	0	0	0	108.6	T354 Q358	T354-H356 PolarHBondContact O-N 3.01Å; H356-Q358 PolarHBondContact O-N 3.36Å; H356-Q358 VanDerWaalsContact O-N 3.08Å
357	A	28.4	Very low	32	Very low	106 Å²	106	143.1 Å²	143.1	88%	0.876	76%	0.756	S	S	*	*			trans	-52.4	109.9	-175.1	0	0	0	0	0	111.7
358	Q	29	Very low	32.6	Very low	167 Å²	167	141.2 Å²	141.2	78%	0.78	74%	0.736	S	S	*	*			trans	-102	144	172.5	-76.6	-69.4	-29.3	0	0	109.6	H356	H356-Q358 PolarHBondContact O-N 3.36Å; H356-Q358 VanDerWaalsContact O-N 3.08Å
359	P	31.1	Very low	33.6	Very low	103 Å²	103	136.7 Å²	136.7	67%	0.669	71%	0.713	S	S	*	*			trans	-73	147.4	-163	30.7	-34.2	0	0	0	112.1	I361	P359-I361 PolarHBondContact O-N 3.35Å
360	I	29.9	Very low	34.6	Very low	163 Å²	163	134.2 Å²	134.2	84%	0.836	70%	0.698	S	S	*	*			trans	-53.9	107.3	-176.6	-60	164.6	0	0	0	109.3	P362	I360-P362 VanDerWaalsContact O-CD 3.32Å; I360-P362 WeakPolarHBondContact O-CD 3.41Å
361	I	32.3	Very low	35.4	Very low	157 Å²	157	128.9 Å²	128.9	81%	0.805	68%	0.684	S	S	*	*			trans	-75.4	113.4	168.4	-60.4	170.1	0	0	0	105.8	P359	P359-I361 PolarHBondContact O-N 3.35Å
362	P	33.5	Very low	35.9	Very low	100 Å²	100	122.5 Å²	122.5	65%	0.649	66%	0.656	S	S	*	*			trans	-65.4	143.9	-176.6	25.5	-31.6	0	0	0	110.6	I360	I360-P362 VanDerWaalsContact O-CD 3.32Å; I360-P362 WeakPolarHBondContact O-CD 3.41Å
363	P	33.5	Very low	37.1	Very low	89 Å²	89	116.6 Å²	116.6	58%	0.578	64%	0.643	S	S	*	*			trans	-65.8	142.3	-168.6	24.3	-32.6	0	0	0	112.5	F365	P363-F365 HydrophobicContact CG-CE2 3.97Å; P363-F365 HydrophobicContact CG-CZ 3.78Å; P363-F365 WeakPolarHBondContact O-CD2 3.38Å; P363-F365 VanDerWaalsContact O-CE2 3.26Å; P363-F365 WeakPolarHBondContact O-CE2 3.38Å; P363-F365 PolarHBondContact O-N 2.91Å
364	N	38.9	Very low	38.3	Very low	136 Å²	136	120.2 Å²	120.2	73%	0.727	65%	0.647	S	S	*	*			trans	-77.3	113.2	-179.8	-177.5	3	0	0	0	110.3	S366	N364-S366 PolarHBondContact OD1-N 3.38Å; N364-S366 PolarHBondContact OD1-OG 2.99Å
365	F	40.9	Very low	38.5	Very low	120 Å²	120	119.9 Å²	119.9	53%	0.526	64%	0.639	S	S	.	*			trans	-91.8	13	-176	-67.7	-77.4	0	0	0	114.5	P363 E367 L368 D369	P363-F365 HydrophobicContact CG-CE2 3.97Å; P363-F365 HydrophobicContact CG-CZ 3.78Å; P363-F365 WeakPolarHBondContact O-CD2 3.38Å; P363-F365 VanDerWaalsContact O-CE2 3.26Å; P363-F365 WeakPolarHBondContact O-CE2 3.38Å; P363-F365 PolarHBondContact O-N 2.91Å; F365-E367 PolarHBondContact O-N 3.28Å; F365-E367 VanDerWaalsContact O-N 3.15Å; F365-L368 HydrophobicContact CB-CB 4.46Å; F365-L368 HydrophobicContact CD1-CB 4.39Å; F365-L368 WeakPolarHBondContact O-CA 3.49Å; F365-L368 PolarHBondContact O-N 3.41Å; F365-D369 PolarHBondContact O-N 2.87Å
366	S	56.5	Low	38.8	Very low	70 Å²	70	111.1 Å²	111.1	49%	0.49	63%	0.628	S	S	.	*	H	α-helix	trans	-57.6	-31.5	-177.9	-65.1	0	0	0	0	114.6	N364 S370	N364-S366 PolarHBondContact OD1-N 3.38Å; N364-S366 PolarHBondContact OD1-OG 2.99Å; S366-S370 WeakPolarHBondContact O-CB 3.43Å; S366-S370 PolarHBondContact O-N 3.23Å; S366-S370 PolarHBondContact O-OG 2.59Å
367	E	45	Very low	38.9	Very low	166 Å²	166	107 Å²	107	78%	0.776	61%	0.614	S	S	*	*	H	α-helix	trans	-69.4	-39.1	173.2	-88.4	-176.4	159.4	0	0	111.9	F365 S370 I371	F365-E367 PolarHBondContact O-N 3.28Å; F365-E367 VanDerWaalsContact O-N 3.15Å; E367-S370 PolarHBondContact O-N 3.28Å; E367-I371 WeakPolarHBondContact O-CD1 3.2Å; E367-I371 WeakPolarHBondContact O-CG1 3.46Å; E367-I371 PolarHBondContact O-N 3.29Å
368	L	38.5	Very low	39.3	Very low	82 Å²	82	106 Å²	106	43%	0.429	61%	0.605	S	S	.	*	H	α-helix	trans	-71.6	-38.7	-179.4	-149.9	126	0	0	0	111	F365 S370 I371 L372	F365-L368 HydrophobicContact CB-CB 4.46Å; F365-L368 HydrophobicContact CD1-CB 4.39Å; F365-L368 WeakPolarHBondContact O-CA 3.49Å; F365-L368 PolarHBondContact O-N 3.41Å; L368-S370 VanDerWaalsContact C-N 3.32Å; L368-S370 PolarHBondContact O-N 3.23Å; L368-I371 PolarHBondContact O-N 3.44Å; L368-L372 HydrophobicContact CD2-CD1 3.79Å; L368-L372 HydrophobicContact CD2-CG 4.35Å; L368-L372 WeakPolarHBondContact O-CB 3.12Å; L368-L372 VanDerWaalsContact O-CG 3.29Å; L368-L372 WeakPolarHBondContact O-CG 3.4Å; L368-L372 PolarHBondContact O-N 3.17Å
369	D	46.9	Very low	39.7	Very low	71 Å²	71	103.2 Å²	103.2	38%	0.38	60%	0.596	S	S	.	*	H	α-helix	trans	-64.2	-37.5	171.8	-78.1	-21.3	0	0	0	111.7	F365 I371 L372 T373	F365-D369 PolarHBondContact O-N 2.87Å; D369-I371 VanDerWaalsContact C-N 3.35Å; D369-L372 PolarHBondContact O-N 3.35Å; D369-T373 VanDerWaalsContact O-CB 3.32Å; D369-T373 WeakPolarHBondContact O-CB 3.3Å; D369-T373 PolarHBondContact O-N 3Å; D369-T373 PolarHBondContact O-OG1 3.13Å
370	S	53.2	Low	39.7	Very low	67 Å²	67	105.6 Å²	105.6	47%	0.469	60%	0.603	S	S	.	*	H	α-helix	trans	-65.6	-39.2	174.4	-62.1	0	0	0	0	111.8	S366 E367 L368 N374	S366-S370 WeakPolarHBondContact O-CB 3.43Å; S366-S370 PolarHBondContact O-N 3.23Å; S366-S370 PolarHBondContact O-OG 2.59Å; E367-S370 PolarHBondContact O-N 3.28Å; L368-S370 VanDerWaalsContact C-N 3.32Å; L368-S370 PolarHBondContact O-N 3.23Å; S370-N374 WeakPolarHBondContact O-CB 3.33Å; S370-N374 VanDerWaalsContact O-CG 3.22Å; S370-N374 PolarHBondContact O-N 2.78Å; S370-N374 PolarHBondContact O-ND2 2.85Å
371	I	41.2	Very low	39.8	Very low	95 Å²	95	106.7 Å²	106.7	49%	0.487	60%	0.604	S	S	.	*	H	α-helix	trans	-67.3	-43.7	176.7	-68.5	162.4	0	0	0	110.8	E367 L368 D369 N374 L375	E367-I371 WeakPolarHBondContact O-CD1 3.2Å; E367-I371 WeakPolarHBondContact O-CG1 3.46Å; E367-I371 PolarHBondContact O-N 3.29Å; L368-I371 PolarHBondContact O-N 3.44Å; D369-I371 VanDerWaalsContact C-N 3.35Å; I371-N374 PolarHBondContact O-N 3.14Å; I371-L375 HydrophobicContact CG2-CD1 3.84Å; I371-L375 WeakPolarHBondContact O-CB 3.3Å; I371-L375 WeakPolarHBondContact O-CG 3.38Å; I371-L375 PolarHBondContact O-N 3.32Å
372	L	38.6	Very low	39.7	Very low	56 Å²	56	108.4 Å²	108.4	29%	0.293	61%	0.609	S	S	.	*	H	α-helix	trans	-67.8	-36.6	178.5	-70.9	175.2	0	0	0	112.1	L368 D369 L375 G376 V377	L368-L372 HydrophobicContact CD2-CD1 3.79Å; L368-L372 HydrophobicContact CD2-CG 4.35Å; L368-L372 WeakPolarHBondContact O-CB 3.12Å; L368-L372 VanDerWaalsContact O-CG 3.29Å; L368-L372 WeakPolarHBondContact O-CG 3.4Å; L368-L372 PolarHBondContact O-N 3.17Å; D369-L372 PolarHBondContact O-N 3.35Å; L372-L375 CarbonylContact O-C 3.27Å; L372-L375 PolarHBondContact O-N 3.07Å; L372-G376 PolarHBondContact O-N 3.24Å; L372-V377 HydrophobicContact CB-CB 4.31Å; L372-V377 HydrophobicContact CD2-CB 4.37Å; L372-V377 HydrophobicContact CD2-CG2 4.18Å; L372-V377 WeakPolarHBondContact O-CB 3.36Å; L372-V377 PolarHBondContact O-N 3.01Å
373	T	48.7	Very low	39.4	Very low	89 Å²	89	113.6 Å²	113.6	55%	0.546	62%	0.621	S	S	.	*	H	α-helix	trans	-65.5	-41.1	173.5	-50	0	0	0	0	110.9	D369 L375 G376	D369-T373 VanDerWaalsContact O-CB 3.32Å; D369-T373 WeakPolarHBondContact O-CB 3.3Å; D369-T373 PolarHBondContact O-N 3Å; D369-T373 PolarHBondContact O-OG1 3.13Å; T373-L375 VanDerWaalsContact C-N 3.25Å; T373-L375 PolarHBondContact O-N 3.4Å; T373-G376 PolarHBondContact O-N 3.04Å
374	N	52.6	Low	38.9	Very low	140 Å²	140	121.1 Å²	121.1	75%	0.749	64%	0.638	S	S	*	*	H	α-helix	trans	-69.5	-22.6	176	-74.2	-25.8	0	0	0	113.4	S370 I371 G376	S370-N374 WeakPolarHBondContact O-CB 3.33Å; S370-N374 VanDerWaalsContact O-CG 3.22Å; S370-N374 PolarHBondContact O-N 2.78Å; S370-N374 PolarHBondContact O-ND2 2.85Å; I371-N374 PolarHBondContact O-N 3.14Å; N374-G376 VanDerWaalsContact C-N 3.32Å
375	L	32.4	Very low	38.2	Very low	127 Å²	127	123.5 Å²	123.5	67%	0.665	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	13.9	175.7	-68.6	171.8	0	0	0	113.1	I371 L372 T373 V377	I371-L375 HydrophobicContact CG2-CD1 3.84Å; I371-L375 WeakPolarHBondContact O-CB 3.3Å; I371-L375 WeakPolarHBondContact O-CG 3.38Å; I371-L375 PolarHBondContact O-N 3.32Å; L372-L375 CarbonylContact O-C 3.27Å; L372-L375 PolarHBondContact O-N 3.07Å; T373-L375 VanDerWaalsContact C-N 3.25Å; T373-L375 PolarHBondContact O-N 3.4Å; L375-V377 HydrophobicContact CB-CG2 4.48Å; L375-V377 PolarHBondContact O-N 3.1Å
376	G	34.7	Very low	37.7	Very low	69 Å²	69	123 Å²	123	71%	0.711	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.5	16.8	173.2	0	0	0	0	0	114.3	L372 T373 N374 A378	L372-G376 PolarHBondContact O-N 3.24Å; T373-G376 PolarHBondContact O-N 3.04Å; N374-G376 VanDerWaalsContact C-N 3.32Å; G376-A378 PolarHBondContact O-N 2.97Å
377	V	32.1	Very low	36.2	Very low	75 Å²	75	124.6 Å²	124.6	46%	0.455	67%	0.665	S	S	.	*			trans	-82.8	103.5	177	-175.5	0	0	0	0	107.9	L372 L375 N379	L372-V377 HydrophobicContact CB-CB 4.31Å; L372-V377 HydrophobicContact CD2-CB 4.37Å; L372-V377 HydrophobicContact CD2-CG2 4.18Å; L372-V377 WeakPolarHBondContact O-CB 3.36Å; L372-V377 PolarHBondContact O-N 3.01Å; L375-V377 HydrophobicContact CB-CG2 4.48Å; L375-V377 PolarHBondContact O-N 3.1Å; V377-N379 PolarHBondContact O-N 2.99Å
378	A	36.2	Very low	35.3	Very low	83 Å²	83	123 Å²	123	69%	0.686	67%	0.666	S	S	*	*			trans	-64.1	123.6	-179.2	0	0	0	0	0	111.3	G376 D380	G376-A378 PolarHBondContact O-N 2.97Å; A378-D380 PolarHBondContact O-N 3.09Å
379	N	36.4	Very low	34.6	Very low	110 Å²	110	125.8 Å²	125.8	59%	0.588	68%	0.681	S	S	*	*			trans	-73.1	87	176.6	-101.7	-16.3	0	0	0	111	V377 H381	V377-N379 PolarHBondContact O-N 2.99Å; N379-H381 PolarHBondContact O-N 3.23Å; N379-H381 VanDerWaalsContact O-N 3.08Å
380	D	32.6	Very low	33.9	Very low	152 Å²	152	130.8 Å²	130.8	81%	0.813	71%	0.707	S	S	*	*			trans	-87.3	49.4	-175.8	-127.5	6	0	0	0	112.6	A378	A378-D380 PolarHBondContact O-N 3.09Å
381	H	31.6	Very low	33.1	Very low	186 Å²	186	132 Å²	132	86%	0.861	71%	0.714	S	S	*	*			trans	-142.6	53.8	179.5	-81.3	-23.2	0	0	0	113.8	N379	N379-H381 PolarHBondContact O-N 3.23Å; N379-H381 VanDerWaalsContact O-N 3.08Å
382	Q	30.7	Very low	32.4	Very low	193 Å²	193	135 Å²	135	90%	0.902	73%	0.73	S	S	*	*			trans	-134.3	112.1	155.3	-74	-166.8	-3.3	0	0	112.1
383	K	27.1	Very low	31.6	Very low	209 Å²	209	135.4 Å²	135.4	91%	0.909	75%	0.748	S	S	*	*			trans	-52.6	132.3	174.9	-81.7	171.4	172.3	172.7	0	111.3	Q385	K383-Q385 PolarHBondContact O-N 3.3Å
384	R	22	Very low	30.5	Very low	248 Å²	248	136.6 Å²	136.6	94%	0.936	76%	0.76	S	S	*	*			trans	-29.9	119.1	164.5	-63.4	178	178	-167.3	-1.6	113.5
385	Q	25.4	Very low	29.2	Very low	186 Å²	186	135.9 Å²	135.9	87%	0.869	76%	0.761	S	S	*	*			trans	-135.7	149.8	146.6	-77.9	-151	-5.8	0	0	109.6	K383	K383-Q385 PolarHBondContact O-N 3.3Å
386	P	30	Very low	28.7	Very low	109 Å²	109	134.1 Å²	134.1	71%	0.708	77%	0.765	S	S	*	*			trans	-94.4	147.5	-146.1	36	-33.4	0	0	0	114.2
387	S	24.3	Very low	28.2	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	77%	0.766	S	S	*	*			trans	37.9	124.8	144.2	62.7	0	0	0	0	119.6
388	V	27.2	Very low	27.7	Very low	133 Å²	133	141.4 Å²	141.4	81%	0.806	79%	0.785	S	S	*	*				-173.5	119.8	113.6	163.6	0	0	0	0	109.9
389	N	23.6	Very low	27.2	Very low	140 Å²	140	143.1 Å²	143.1	75%	0.749	79%	0.786	S	S	*	*			trans	8.8	132.9	149.8	-56.7	-28.3	0	0	0	120.3
390	L	32.1	Very low	26.6	Very low	175 Å²	175	141.1 Å²	141.1	92%	0.916	79%	0.792	S	S	*	*				-162.5	149.4	119.5	-102.7	129.9	0	0	0	111.5
391	P	35.1	Very low	26.1	Very low	94 Å²	94	141.5 Å²	141.5	61%	0.61	79%	0.788	S	S	*	*			trans	-111.1	179	-158.1	40.7	-28.2	0	0	0	114.2
392	N	27.9	Very low	25.8	Very low	156 Å²	156	142.4 Å²	142.4	83%	0.834	79%	0.79	S	S	*	*			trans	80.7	112.5	163.2	-52.6	-20.7	0	0	0	114.5
393	G	21.7	Very low	25.5	Very low	65 Å²	65	141.4 Å²	141.4	67%	0.67	78%	0.783	S	S	*	*			cis	100	123.2	25.7	0	0	0	0	0	109.6
394	S	25	Very low	25.3	Very low	115 Å²	115	136.6 Å²	136.6	80%	0.804	78%	0.775	S	S	*	*			trans	78.6	136.4	167.2	-51.7	0	0	0	0	114.6
395	T	24.2	Very low	25.5	Very low	124 Å²	124	130.4 Å²	130.4	76%	0.761	77%	0.77	S	S	*	*			cis	-178.8	149	11.5	13.4	0	0	0	0	106.7
396	A	23.5	Very low	25.5	Very low	91 Å²	91	129.8 Å²	129.8	75%	0.752	77%	0.772	S	S	*	*			trans	65.9	147.1	140	0	0	0	0	0	118.1
397	S	23	Very low	25.3	Very low	104 Å²	104	129.7 Å²	129.7	73%	0.727	77%	0.773	S	S	*	*			cis	175.1	151.8	-9.8	49	0	0	0	0	104.8
398	F	22.1	Very low	25.4	Very low	193 Å²	193	130 Å²	130	85%	0.846	78%	0.776	S	S	*	*			trans	93.3	108.3	139.8	-136	-114.9	0	0	0	120.5
399	V	24.8	Very low	25.4	Very low	119 Å²	119	132.9 Å²	132.9	72%	0.721	78%	0.78	S	S	*	*			trans	88.9	123	130.1	167.8	0	0	0	0	121.4
400	G	25.6	Very low	25.5	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	78%	0.781	S	S	*	*			trans	152.5	58.8	143.6	0	0	0	0	0	115.9	K402	G400-K402 PolarHBondContact O-N 3.46Å
401	E	22	Very low	25.1	Very low	159 Å²	159	124.8 Å²	124.8	74%	0.743	77%	0.771	S	S	*	*			trans	-54.5	123.7	169.9	-72.8	-175.6	135.9	0	0	112.2	K403	E401-K403 WeakPolarHBondContact OE1-CE 3.23Å; E401-K403 IonicContact OE1-NZ 3.64Å; E401-K403 WeakPolarHBondContact OE2-CE 3.34Å; E401-K403 IonicContact OE2-NZ 2.61Å
402	K	25.1	Very low	24.7	Very low	205 Å²	205	132 Å²	132	89%	0.891	79%	0.786	S	S	*	*			trans	-109.5	100.2	154.2	-85.3	-175.3	176.8	178.3	0	108	G400 S404	G400-K402 PolarHBondContact O-N 3.46Å; K402-S404 PolarHBondContact O-N 2.8Å
403	K	23.5	Very low	24.6	Very low	173 Å²	173	132.2 Å²	132.2	75%	0.752	79%	0.787	S	S	*	*			trans	-73.8	100.2	173.7	-71.6	178.3	179.9	170.2	0	109.4	E401	E401-K403 WeakPolarHBondContact OE1-CE 3.23Å; E401-K403 IonicContact OE1-NZ 3.64Å; E401-K403 WeakPolarHBondContact OE2-CE 3.34Å; E401-K403 IonicContact OE2-NZ 2.61Å
404	S	24.2	Very low	24.9	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	79%	0.792	S	S	*	*			trans	-82.5	112.4	162.4	51.2	0	0	0	0	108.6	K402 L406	K402-S404 PolarHBondContact O-N 2.8Å; S404-L406 PolarHBondContact O-N 3.05Å
405	S	25.5	Very low	25.1	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-56.6	117	175.1	46.5	0	0	0	0	111.3
406	L	26	Very low	25.2	Very low	173 Å²	173	141.3 Å²	141.3	91%	0.906	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-61.2	134.2	173.1	-83.6	132.1	0	0	0	111.2	S404	S404-L406 PolarHBondContact O-N 3.05Å
407	S	25.3	Very low	25.5	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-62	133.4	-179.7	49.8	0	0	0	0	112.9
408	S	26.1	Very low	25.9	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-48.7	128.8	171.1	53	0	0	0	0	113.4	G410	S408-G410 PolarHBondContact O-N 3.18Å
409	H	26.7	Very low	26.6	Very low	194 Å²	194	137.1 Å²	137.1	90%	0.898	77%	0.77	S	S	*	*			trans	-54.2	115.6	159.9	-72.7	-40.9	0	0	0	109.8	G411	H409-G411 PolarHBondContact O-N 3.01Å
410	G	25.6	Very low	26.8	Very low	75 Å²	75	135 Å²	135	77%	0.773	77%	0.766	S	S	*	*			trans	-65.8	95.3	173.8	0	0	0	0	0	110.2	S408 R412	S408-G410 PolarHBondContact O-N 3.18Å; G410-R412 PolarHBondContact O-N 3.08Å
411	G	25.2	Very low	27.5	Very low	69 Å²	69	133.2 Å²	133.2	71%	0.711	75%	0.747	S	S	*	*			trans	-60	114.9	163.3	0	0	0	0	0	108.6	H409 L413	H409-G411 PolarHBondContact O-N 3.01Å; G411-L413 PolarHBondContact O-N 2.96Å; G411-L413 VanDerWaalsContact O-N 3.14Å
412	R	25.9	Very low	28.8	Very low	245 Å²	245	127.1 Å²	127.1	93%	0.925	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-56.7	116.7	169.9	-86.4	-176.2	177.6	-143.2	3.2	108.3	G410	G410-R412 PolarHBondContact O-N 3.08Å
413	L	26.7	Very low	30	Very low	162 Å²	162	119.1 Å²	119.1	85%	0.848	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-59.8	136.1	168.8	-74.3	163.5	0	0	0	109.3	G411 F415	G411-L413 PolarHBondContact O-N 2.96Å; G411-L413 VanDerWaalsContact O-N 3.14Å; L413-F415 PolarHBondContact O-N 3.28Å
414	P	26.6	Very low	31.1	Very low	118 Å²	118	111 Å²	111	77%	0.766	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-66.1	129.6	-179.4	27	-32.6	0	0	0	110	K416	P414-K416 PolarHBondContact O-N 3.34Å
415	F	30.2	Very low	32	Very low	176 Å²	176	110.8 Å²	110.8	77%	0.772	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-66.5	121.9	-175.8	-166.9	-100.5	0	0	0	109.9	L413 L417	L413-F415 PolarHBondContact O-N 3.28Å; F415-L417 PolarHBondContact O-N 3.02Å
416	K	26	Very low	33.4	Very low	201 Å²	201	108.3 Å²	108.3	87%	0.874	62%	0.615	S	S	*	*			trans	-76	107.9	174	-75.6	-175.1	176.5	-178.2	0	109.3	P414 S418	P414-K416 PolarHBondContact O-N 3.34Å; K416-S418 PolarHBondContact O-N 3.25Å
417	L	30	Very low	34.7	Very low	113 Å²	113	101.1 Å²	101.1	59%	0.592	58%	0.577	S	S	*	*			trans	-69.1	123.7	176	-158.3	76.5	0	0	0	109.9	F415	F415-L417 PolarHBondContact O-N 3.02Å
418	S	30.8	Very low	35.9	Very low	72 Å²	72	99.8 Å²	99.8	50%	0.503	56%	0.559	S	S	.	*			trans	-93.7	114.9	168.7	174.2	0	0	0	0	108.5	K416 A420	K416-S418 PolarHBondContact O-N 3.25Å; S418-A420 PolarHBondContact O-N 3.23Å; S418-A420 PolarHBondContact OG-N 3.31Å
419	T	37	Very low	36.8	Very low	114 Å²	114	98.8 Å²	98.8	70%	0.699	54%	0.542	S	S	*	.			trans	-74.3	1.8	175.3	41.6	0	0	0	0	113.8
420	A	29.6	Very low	37.7	Very low	76 Å²	76	96.6 Å²	96.6	63%	0.628	53%	0.53	S	S	*	.			trans	-93.1	113.6	175.2	0	0	0	0	0	110.6	S418	S418-A420 PolarHBondContact O-N 3.23Å; S418-A420 PolarHBondContact OG-N 3.31Å
421	G	39.5	Very low	39	Very low	30 Å²	30	94.6 Å²	94.6	31%	0.309	50%	0.501	S	S	.	.	S	Bend	trans	168.9	166.4	174	0	0	0	0	0	113.3	E425 R426	G421-E425 WeakPolarHBondContact CA-OE2 3.4Å; G421-R426 PolarHBondContact O-NH1 3.42Å
422	S	49.9	Very low	39.7	Very low	31 Å²	31	101.2 Å²	101.2	22%	0.217	51%	0.51	C	S	.	.			trans	-69.9	154.3	172.6	178.2	0	0	0	0	111	A424 E425 R426	S422-A424 PolarHBondContact O-N 3.29Å; S422-E425 PolarHBondContact N-OE2 3.47Å; S422-E425 VanDerWaalsContact N-OE2 3.1Å; S422-E425 WeakPolarHBondContact O-CA 3.49Å; S422-E425 VanDerWaalsContact O-CB 3.3Å; S422-E425 WeakPolarHBondContact O-CB 3.26Å; S422-E425 PolarHBondContact O-N 3.01Å; S422-R426 PolarHBondContact O-N 2.85Å; S422-R426 VanDerWaalsContact O-N 3.08Å
423	V	48.9	Very low	40.4	Very low	37 Å²	37	93.3 Å²	93.3	22%	0.224	48%	0.48	C	S	.	.	H	α-helix	trans	-48.8	-47.5	175.5	172.2	0	0	0	0	110.3	E425 R426 I427 Y711	V423-E425 PolarHBondContact O-N 3.14Å; V423-R426 PolarHBondContact O-N 3.38Å; V423-I427 HydrophobicContact CG1-CD1 4.19Å; V423-I427 WeakPolarHBondContact O-CG1 3.29Å; V423-I427 PolarHBondContact O-N 3.24Å; V423-Y711 HydrophobicContact CG1-CE2 3.79Å
424	A	46.9	Very low	41	Very low	2 Å²	2	91 Å²	91	2%	0.017	48%	0.475	C	S	.	.	H	α-helix	trans	-46	-50.4	169.9	0	0	0	0	0	115.4	S422 R426 I427 Q428 A648	S422-A424 PolarHBondContact O-N 3.29Å; A424-R426 VanDerWaalsContact C-N 3.28Å; A424-R426 PolarHBondContact O-N 2.95Å; A424-I427 PolarHBondContact O-N 3.07Å; A424-Q428 WeakPolarHBondContact O-CG 3.44Å; A424-Q428 PolarHBondContact O-N 3.03Å; A424-A648 HydrophobicContact CB-CB 3.16Å
425	E	44.9	Very low	41.3	Very low	102 Å²	102	93 Å²	93	48%	0.477	48%	0.479	S	S	.	.	H	α-helix	trans	-69.8	-31.5	-175.2	-156	174.8	-169	0	0	110.5	G421 S422 V423 Q429	G421-E425 WeakPolarHBondContact CA-OE2 3.4Å; S422-E425 PolarHBondContact N-OE2 3.47Å; S422-E425 VanDerWaalsContact N-OE2 3.1Å; S422-E425 WeakPolarHBondContact O-CA 3.49Å; S422-E425 VanDerWaalsContact O-CB 3.3Å; S422-E425 WeakPolarHBondContact O-CB 3.26Å; S422-E425 PolarHBondContact O-N 3.01Å; V423-E425 PolarHBondContact O-N 3.14Å; E425-Q429 WeakPolarHBondContact O-CG 3.41Å; E425-Q429 PolarHBondContact O-N 2.97Å
426	R	54.7	Low	41.3	Very low	67 Å²	67	89.9 Å²	89.9	25%	0.253	48%	0.475	S	S	.	.	H	α-helix	trans	-75.3	-40.3	174.5	-65.5	-166.6	-62.4	-91.8	2.6	112.3	G421 S422 V423 A424 Q428 Q429 F430 E908	G421-R426 PolarHBondContact O-NH1 3.42Å; S422-R426 PolarHBondContact O-N 2.85Å; S422-R426 VanDerWaalsContact O-N 3.08Å; V423-R426 PolarHBondContact O-N 3.38Å; A424-R426 VanDerWaalsContact C-N 3.28Å; A424-R426 PolarHBondContact O-N 2.95Å; R426-Q428 VanDerWaalsContact C-N 3.3Å; R426-Q428 PolarHBondContact O-N 3.26Å; R426-Q429 WeakPolarHBondContact O-CB 3.31Å; R426-Q429 PolarHBondContact O-N 2.73Å; R426-Q429 VanDerWaalsContact O-N 3.13Å; R426-F430 WeakPolarHBondContact O-CD2 3.21Å; R426-F430 WeakPolarHBondContact O-CE2 3.38Å; R426-E908 IonicContact CZ-OE2 3.26Å; R426-E908 IonicContact NE-OE2 3.8Å; R426-E908 IonicContact NH2-OE2 2.66Å; R426-E908 PolarHBondContact NH2-OE2 3.5Å
427	I	51.6	Low	41.5	Very low	22 Å²	22	84.1 Å²	84.1	11%	0.113	46%	0.456	C	S	.	.	H	α-helix	trans	-64	-37.6	173.2	-48.5	165	0	0	0	110.7	V423 A424 Q429 F430 E431 F651 Y711 Y714	V423-I427 HydrophobicContact CG1-CD1 4.19Å; V423-I427 WeakPolarHBondContact O-CG1 3.29Å; V423-I427 PolarHBondContact O-N 3.24Å; A424-I427 PolarHBondContact O-N 3.07Å; I427-Q429 VanDerWaalsContact C-N 3.3Å; I427-Q429 PolarHBondContact O-N 3.4Å; I427-F430 WeakPolarHBondContact O-CA 3.43Å; I427-F430 WeakPolarHBondContact O-CB 3.32Å; I427-F430 PolarHBondContact O-N 3.36Å; I427-E431 PolarHBondContact O-N 3.19Å; I427-E431 VanDerWaalsContact O-N 3.11Å; I427-F651 HydrophobicContact CB-CE1 4.24Å; I427-F651 HydrophobicContact CB-CE2 3.78Å; I427-F651 HydrophobicContact CB-CZ 3.37Å; I427-F651 HydrophobicContact CD1-CE1 4.43Å; I427-F651 HydrophobicContact CD1-CE2 4.03Å; I427-F651 HydrophobicContact CD1-CZ 4.02Å; I427-F651 HydrophobicContact CG1-CZ 4.32Å; I427-F651 HydrophobicContact CG2-CE1 3.55Å; I427-F651 HydrophobicContact CG2-CE2 4.03Å; I427-F651 HydrophobicContact CG2-CZ 3.11Å; I427-Y711 HydrophobicContact CD1-CE2 3.79Å; I427-Y714 HydrophobicContact CG2-CE1 4.36Å
428	Q	51	Low	41.6	Very low	79 Å²	79	84.6 Å²	84.6	37%	0.369	46%	0.459	S	S	.	.	H	α-helix	trans	-63	-31.3	173.1	-80.2	-174.7	-10.3	0	0	113.6	A424 R426 F430 E431 F651	A424-Q428 WeakPolarHBondContact O-CG 3.44Å; A424-Q428 PolarHBondContact O-N 3.03Å; R426-Q428 VanDerWaalsContact C-N 3.3Å; R426-Q428 PolarHBondContact O-N 3.26Å; Q428-F430 PolarHBondContact O-N 3.03Å; Q428-E431 PolarHBondContact O-N 3.03Å; Q428-F651 HydrophobicContact CG-CE2 4.47Å
429	Q	46	Very low	41.5	Very low	89 Å²	89	84.4 Å²	84.4	42%	0.416	46%	0.458	S	S	.	.	H	α-helix	trans	-63	-25.7	172.7	-73.2	173.8	19.8	0	0	112.1	E425 R426 I427	E425-Q429 WeakPolarHBondContact O-CG 3.41Å; E425-Q429 PolarHBondContact O-N 2.97Å; R426-Q429 WeakPolarHBondContact O-CB 3.31Å; R426-Q429 PolarHBondContact O-N 2.73Å; R426-Q429 VanDerWaalsContact O-N 3.13Å; I427-Q429 VanDerWaalsContact C-N 3.3Å; I427-Q429 PolarHBondContact O-N 3.4Å
430	F	45.6	Very low	41.4	Very low	148 Å²	148	86.8 Å²	86.8	65%	0.649	45%	0.454	S	S	*	.	H	α-helix	trans	-85.4	-29.8	175	-61.7	-74.3	0	0	0	112.7	R426 I427 Q428 K432	R426-F430 WeakPolarHBondContact O-CD2 3.21Å; R426-F430 WeakPolarHBondContact O-CE2 3.38Å; I427-F430 WeakPolarHBondContact O-CA 3.43Å; I427-F430 WeakPolarHBondContact O-CB 3.32Å; I427-F430 PolarHBondContact O-N 3.36Å; Q428-F430 PolarHBondContact O-N 3.03Å; F430-K432 PolarHBondContact O-N 3Å
431	E	51.5	Low	41.7	Very low	33 Å²	33	88.3 Å²	88.3	15%	0.154	45%	0.447	C	S	.	.			trans	-86.1	87.9	179.4	-77.4	-175.4	140.9	0	0	113.5	I427 Q428 R433 A650 F651 Y714	I427-E431 PolarHBondContact O-N 3.19Å; I427-E431 VanDerWaalsContact O-N 3.11Å; Q428-E431 PolarHBondContact O-N 3.03Å; E431-R433 VanDerWaalsContact C-N 3.33Å; E431-R433 HydrophobicContact CB-CG 4.43Å; E431-R433 HydrophobicContact CG-CG 4.38Å; E431-R433 PolarHBondContact O-N 2.83Å; E431-R433 WeakPolarHBondContact OE1-CD 3.41Å; E431-R433 IonicContact OE1-CZ 3.78Å; E431-R433 IonicContact OE1-NE 3.78Å; E431-R433 IonicContact OE1-NH1 3.71Å; E431-R433 PolarHBondContact OE1-NH1 3.15Å; E431-A650 VanDerWaalsContact OE2-CB 3.26Å; E431-A650 WeakPolarHBondContact OE2-CB 3.29Å; E431-F651 WeakPolarHBondContact OE2-CZ 3.23Å; E431-Y714 PolarHBondContact OE1-OH 3.3Å
432	K	39.5	Very low	41.4	Very low	209 Å²	209	90.6 Å²	90.6	91%	0.909	46%	0.463	S	S	*	.			trans	-83.9	83.4	148.1	-76	-173.3	180	178.6	0	108.5	F430	F430-K432 PolarHBondContact O-N 3Å
433	R	42.3	Very low	40.4	Very low	79 Å²	79	96.4 Å²	96.4	30%	0.298	49%	0.486	S	S	.	.			trans	-107.4	151.2	178.1	-87.6	-174.7	165.3	155.4	-5	112.6	E431 Y714 H724	E431-R433 VanDerWaalsContact C-N 3.33Å; E431-R433 HydrophobicContact CB-CG 4.43Å; E431-R433 HydrophobicContact CG-CG 4.38Å; E431-R433 PolarHBondContact O-N 2.83Å; E431-R433 WeakPolarHBondContact OE1-CD 3.41Å; E431-R433 IonicContact OE1-CZ 3.78Å; E431-R433 IonicContact OE1-NE 3.78Å; E431-R433 IonicContact OE1-NH1 3.71Å; E431-R433 PolarHBondContact OE1-NH1 3.15Å; R433-Y714 PolarHBondContact NH1-OH 3.4Å; R433-H724 PolarHBondContact NH2-O 2.95Å
434	P	38.7	Very low	39.4	Very low	113 Å²	113	101.4 Å²	101.4	73%	0.734	50%	0.502	S	S	*	.			trans	-90.7	123.3	162	21.7	-7.5	0	0	0	111.6	T436	P434-T436 PolarHBondContact O-N 2.82Å
435	D	33.3	Very low	38.5	Very low	160 Å²	160	104.5 Å²	104.5	86%	0.856	52%	0.522	S	S	*	.			trans	-59.2	94.3	178.1	-72.9	-39.1	0	0	0	113
436	T	28.7	Very low	38	Very low	111 Å²	111	104.6 Å²	104.6	68%	0.681	52%	0.518	S	S	*	.			trans	-150.2	55.8	168.4	44.9	0	0	0	0	113.6	P434	P434-T436 PolarHBondContact O-N 2.82Å
437	T	30.8	Very low	37.1	Very low	79 Å²	79	109 Å²	109	49%	0.485	54%	0.542	S	S	.	.			trans	-133.6	72.3	168.7	45.6	0	0	0	0	112.5	L726	T437-L726 HydrophobicContact CG2-CD1 3.89Å
438	L	31.4	Very low	36.2	Very low	123 Å²	123	113.5 Å²	113.5	64%	0.644	56%	0.562	S	S	*	*	S	Bend	trans	-146.8	15.4	151.9	-110.8	171.3	0	0	0	113
439	S	30.8	Very low	35.7	Very low	69 Å²	69	114.9 Å²	114.9	48%	0.483	57%	0.571	S	S	.	*	H	α-helix	trans	-78.9	-21.8	-173.6	-53.2	0	0	0	0	114
440	R	34.4	Very low	35.4	Very low	163 Å²	163	113.3 Å²	113.3	62%	0.615	56%	0.562	S	S	*	*	H	α-helix	trans	-81.1	-31.6	-178.9	-79.9	-173.7	-179.6	173.9	0.5	115	Y444 E760	R440-Y444 WeakPolarHBondContact O-CD2 3.45Å; R440-E760 IonicContact CZ-OE1 2.74Å; R440-E760 IonicContact NH1-OE1 2.8Å; R440-E760 PolarHBondContact NH1-OE1 3.41Å; R440-E760 IonicContact NH2-OE1 2.89Å; R440-E760 PolarHBondContact NH2-OE1 3.38Å
441	F	35.5	Very low	34.7	Very low	109 Å²	109	112.1 Å²	112.1	48%	0.478	56%	0.561	S	S	.	*	H	α-helix	trans	-90.1	-22.1	-179.5	-65.1	-67.4	0	0	0	113.6
442	A	33.3	Very low	33.6	Very low	78 Å²	78	114.2 Å²	114.2	65%	0.645	58%	0.58	S	S	*	*	H	α-helix	trans	-84	-26.9	180	0	0	0	0	0	113.8
443	E	29.5	Very low	33.5	Very low	153 Å²	153	110 Å²	110	72%	0.715	57%	0.574	S	S	*	*	S	Bend	trans	-95.1	-9.2	-169.3	-72.3	-169	154.5	0	0	116.1	P445	E443-P445 VanDerWaalsContact O-CD 3.3Å; E443-P445 WeakPolarHBondContact O-CD 3.3Å
444	Y	27.1	Very low	32.8	Very low	141 Å²	141	114.5 Å²	114.5	55%	0.553	60%	0.598	S	S	*	*	S	Bend	trans	-82.9	117	169.4	-74.6	-78.5	0	0	0	109.6	R440 R446	R440-Y444 WeakPolarHBondContact O-CD2 3.45Å; Y444-R446 PolarHBondContact O-N 2.95Å
445	P	28.4	Very low	32.2	Very low	67 Å²	67	116.8 Å²	116.8	44%	0.435	60%	0.599	S	S	.	*			trans	-54.1	124.5	169.2	-15.8	27.7	0	0	0	106.8	E443 Q447 Q448	E443-P445 VanDerWaalsContact O-CD 3.3Å; E443-P445 WeakPolarHBondContact O-CD 3.3Å; P445-Q447 PolarHBondContact O-N 3.27Å; P445-Q448 PolarHBondContact O-N 2.96Å
446	R	34	Very low	32	Very low	105 Å²	105	114.5 Å²	114.5	40%	0.396	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-45.3	-19.2	175.6	-76.8	-178.5	166.4	-164.7	-9.9	113.9	Y444 R450	Y444-R446 PolarHBondContact O-N 2.95Å; R446-R450 WeakPolarHBondContact O-CD 3.41Å; R446-R450 WeakPolarHBondContact O-CG 3.33Å
447	Q	34.9	Very low	32	Very low	160 Å²	160	114.5 Å²	114.5	75%	0.748	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-34.3	176.1	-65.4	176.8	-12.1	0	0	114.1	P445 R450 L451	P445-Q447 PolarHBondContact O-N 3.27Å; Q447-R450 CarbonylContact O-C 3.59Å; Q447-R450 PolarHBondContact O-N 3.36Å; Q447-L451 PolarHBondContact O-N 3.19Å
448	Q	32.9	Very low	31.8	Very low	115 Å²	115	117.9 Å²	117.9	54%	0.537	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-72.5	-36	-176.7	-81.6	-177.7	-23.5	0	0	113	P445 R450 L451	P445-Q448 PolarHBondContact O-N 2.96Å; Q448-R450 PolarHBondContact O-N 3.23Å; Q448-L451 WeakPolarHBondContact O-CD1 3.42Å; Q448-L451 WeakPolarHBondContact O-CG 3.4Å
449	L	40.6	Very low	31.5	Very low	109 Å²	109	116 Å²	116	57%	0.571	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-73.9	-8.9	172.6	-74.4	167.8	0	0	0	113.3
450	R	41	Very low	31.8	Very low	56 Å²	56	117 Å²	117	21%	0.211	60%	0.599	C	S	.	*	G	3₁₀ helix	trans	-114.1	17.8	-176.6	-67	-174.7	177.6	160.3	-5.1	112.9	R446 Q447 Q448 T619 D627	R446-R450 WeakPolarHBondContact O-CD 3.41Å; R446-R450 WeakPolarHBondContact O-CG 3.33Å; Q447-R450 CarbonylContact O-C 3.59Å; Q447-R450 PolarHBondContact O-N 3.36Å; Q448-R450 PolarHBondContact O-N 3.23Å; R450-T619 PolarHBondContact NH1-OG1 3.2Å; R450-D627 IonicContact NH2-OD1 3.17Å; R450-D627 PolarHBondContact NH2-OD1 3.2Å; R450-D627 IonicContact NH2-OD2 3.16Å
451	L	31.1	Very low	31.8	Very low	122 Å²	122	116.9 Å²	116.9	64%	0.639	61%	0.61	S	S	*	*			trans	-58.2	143.8	178.1	-72.5	168.7	0	0	0	111.8	Q447 Q448	Q447-L451 PolarHBondContact O-N 3.19Å; Q448-L451 WeakPolarHBondContact O-CD1 3.42Å; Q448-L451 WeakPolarHBondContact O-CG 3.4Å
452	S	28.4	Very low	32.1	Very low	78 Å²	78	116.2 Å²	116.2	55%	0.545	60%	0.604	S	S	.	*			trans	-28.9	143	-171.6	-175.7	0	0	0	0	117.8	H454 E455	S452-H454 PolarHBondContact O-N 3Å; S452-E455 PolarHBondContact O-N 3.4Å
453	P	37.2	Very low	31.9	Very low	120 Å²	120	114.7 Å²	114.7	78%	0.779	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	20.5	-178.5	29.1	-34.9	0	0	0	116
454	H	27.4	Very low	31.9	Very low	174 Å²	174	113 Å²	113	81%	0.806	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-4.9	175.1	-96.7	-65.2	0	0	0	115.2	S452 T456	S452-H454 PolarHBondContact O-N 3Å; H454-T456 PolarHBondContact O-N 2.88Å
455	E	26.3	Very low	32.1	Very low	161 Å²	161	112 Å²	112	75%	0.752	59%	0.594	S	S	*	*			trans	-98.5	79.4	166.4	-69.9	-179.7	177.1	0	0	107.9	S452 S457	S452-E455 PolarHBondContact O-N 3.4Å; E455-S457 PolarHBondContact O-N 2.89Å
456	T	28.5	Very low	32	Very low	111 Å²	111	113.7 Å²	113.7	68%	0.681	60%	0.599	S	S	*	*			trans	-60.1	95.2	159.2	51.5	0	0	0	0	106.2	H454 N458	H454-T456 PolarHBondContact O-N 2.88Å; T456-N458 PolarHBondContact O-N 3.11Å
457	S	29	Very low	31.6	Very low	111 Å²	111	114.5 Å²	114.5	78%	0.776	62%	0.617	S	S	*	*			trans	-39.8	117.4	152.4	-62.3	0	0	0	0	105.7	E455	E455-S457 PolarHBondContact O-N 2.89Å
458	N	25.4	Very low	31.1	Very low	150 Å²	150	111.2 Å²	111.2	80%	0.802	61%	0.612	S	S	*	*			trans	-31.2	109.7	-174.9	-97.8	-25.6	0	0	0	109.1	T456 R460	T456-N458 PolarHBondContact O-N 3.11Å; N458-R460 PolarHBondContact O-N 3Å
459	P	25.6	Very low	30.8	Very low	85 Å²	85	111.7 Å²	111.7	55%	0.552	62%	0.618	S	S	*	*			trans	-53.5	123.7	179.5	19.1	-28.7	0	0	0	105.9	L461	P459-L461 PolarHBondContact O-N 2.89Å
460	R	37.9	Very low	30.1	Very low	89 Å²	89	111.6 Å²	111.6	34%	0.336	62%	0.622	S	S	.	*			trans	-58.9	140.6	-173.6	-65.6	175.1	174.3	169.7	-1.2	105.6	N458 W462 D463 W671 C756	N458-R460 PolarHBondContact O-N 3Å; R460-W462 HydrophobicContact CB-CD2 4.42Å; R460-W462 HydrophobicContact CB-CZ2 4.46Å; R460-W462 PolarHBondContact O-N 2.86Å; R460-D463 PolarHBondContact N-OD2 3.42Å; R460-D463 WeakPolarHBondContact O-CB 3.46Å; R460-D463 PolarHBondContact O-N 2.95Å; R460-W671 PolarHBondContact NH1-O 3.43Å; R460-C756 VanDerWaalsContact NH2-CB 3.34Å; R460-C756 PolarHBondContact NH2-SG 3.02Å
461	L	33.1	Very low	29.4	Very low	161 Å²	161	115.5 Å²	115.5	84%	0.843	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	-19.9	-170.9	-164.5	75.2	0	0	0	113.4	P459 T464	P459-L461 PolarHBondContact O-N 2.89Å; L461-T464 PolarHBondContact O-OG1 3.48Å
462	W	41.9	Very low	29.2	Very low	95 Å²	95	119.9 Å²	119.9	36%	0.36	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.5	-6	179.6	50.1	-91.1	0	0	0	115.9	R460 T464 T465 W671	R460-W462 HydrophobicContact CB-CD2 4.42Å; R460-W462 HydrophobicContact CB-CZ2 4.46Å; R460-W462 PolarHBondContact O-N 2.86Å; W462-T464 PolarHBondContact O-N 3.1Å; W462-T464 VanDerWaalsContact O-N 3.1Å; W462-T465 PolarHBondContact O-N 2.95Å; W462-T465 VanDerWaalsContact O-N 3.15Å; W462-T465 PolarHBondContact O-OG1 3.15Å; W462-W671 HydrophobicContact CH2-CB 4.39Å
463	D	30.9	Very low	29	Very low	45 Å²	45	122.2 Å²	122.2	24%	0.241	66%	0.663	C	S	.	*	G	3₁₀ helix	trans	-59.4	-21.6	171	-74.2	-29.4	0	0	0	111.4	R460 T465 L466	R460-D463 PolarHBondContact N-OD2 3.42Å; R460-D463 WeakPolarHBondContact O-CB 3.46Å; R460-D463 PolarHBondContact O-N 2.95Å; D463-T465 VanDerWaalsContact C-N 3.26Å; D463-T465 PolarHBondContact O-N 3.49Å; D463-L466 PolarHBondContact O-N 3.14Å
464	T	29.4	Very low	28.5	Very low	117 Å²	117	124.7 Å²	124.7	72%	0.718	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-74.4	-6.3	178.7	51	0	0	0	0	115	L461 W462	L461-T464 PolarHBondContact O-OG1 3.48Å; W462-T464 PolarHBondContact O-N 3.1Å; W462-T464 VanDerWaalsContact O-N 3.1Å
465	T	30.1	Very low	28.4	Very low	122 Å²	122	121.7 Å²	121.7	75%	0.748	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-91.6	-10.9	175.2	61.4	0	0	0	0	113.7	W462 D463	W462-T465 PolarHBondContact O-N 2.95Å; W462-T465 VanDerWaalsContact O-N 3.15Å; W462-T465 PolarHBondContact O-OG1 3.15Å; D463-T465 VanDerWaalsContact C-N 3.26Å; D463-T465 PolarHBondContact O-N 3.49Å
466	L	26.6	Very low	28.5	Very low	102 Å²	102	119.8 Å²	119.8	53%	0.534	66%	0.664	S	S	.	*	S	Bend	trans	-90.3	130.3	164.9	-72.4	163.9	0	0	0	107.9	D463 S468	D463-L466 PolarHBondContact O-N 3.14Å; L466-S468 VanDerWaalsContact C-N 3.31Å; L466-S468 PolarHBondContact O-N 3.29Å; L466-S468 PolarHBondContact O-OG 3.22Å
467	P	24.9	Very low	28.2	Very low	121 Å²	121	119.8 Å²	119.8	79%	0.786	67%	0.667	S	S	*	*			trans	-62.7	96.5	178.3	1.9	5.1	0	0	0	109	N469	P467-N469 PolarHBondContact O-N 2.97Å
468	S	25.8	Very low	28	Very low	92 Å²	92	123.7 Å²	123.7	64%	0.643	67%	0.673	S	S	*	*			trans	-76.2	34.5	176.3	-65.2	0	0	0	0	111.6	L466 V470	L466-S468 VanDerWaalsContact C-N 3.31Å; L466-S468 PolarHBondContact O-N 3.29Å; L466-S468 PolarHBondContact O-OG 3.22Å; S468-V470 PolarHBondContact O-N 2.99Å; S468-V470 VanDerWaalsContact O-N 3.17Å
469	N	25.6	Very low	28.1	Very low	124 Å²	124	125.2 Å²	125.2	66%	0.663	67%	0.673	S	S	*	*			trans	-87	58.5	167.6	-82.4	3.6	0	0	0	109.5	P467 H471	P467-N469 PolarHBondContact O-N 2.97Å; N469-H471 VanDerWaalsContact C-N 3.31Å; N469-H471 PolarHBondContact O-N 3.24Å
470	V	26.9	Very low	28	Very low	108 Å²	108	130.8 Å²	130.8	66%	0.655	69%	0.691	S	S	*	*			trans	-93.8	82.4	151.9	-172.6	0	0	0	0	105.2	S468 Y472	S468-V470 PolarHBondContact O-N 2.99Å; S468-V470 VanDerWaalsContact O-N 3.17Å; V470-Y472 PolarHBondContact O-N 3.28Å; V470-Y472 VanDerWaalsContact O-N 3.14Å
471	H	25.8	Very low	27.5	Very low	137 Å²	137	131.1 Å²	131.1	63%	0.634	71%	0.713	S	S	*	*			trans	-57.6	117	173.8	-73.9	-81.1	0	0	0	109	N469 V473	N469-H471 VanDerWaalsContact C-N 3.31Å; N469-H471 PolarHBondContact O-N 3.24Å; H471-V473 PolarHBondContact O-N 3.02Å
472	Y	26.2	Very low	27	Very low	215 Å²	215	132.9 Å²	132.9	84%	0.843	72%	0.717	S	S	*	*			trans	-62.1	96.9	167.5	-81	-94	0	0	0	108.8	V470 H474	V470-Y472 PolarHBondContact O-N 3.28Å; V470-Y472 VanDerWaalsContact O-N 3.14Å; Y472-H474 PolarHBondContact O-N 3.01Å
473	V	25.7	Very low	26.2	Very low	126 Å²	126	131.8 Å²	131.8	76%	0.764	74%	0.735	S	S	*	*			trans	-80	104.5	170.9	-178.8	0	0	0	0	107.5	H471 S475	H471-V473 PolarHBondContact O-N 3.02Å; V473-S475 PolarHBondContact O-N 2.89Å
474	H	25.6	Very low	26	Very low	172 Å²	172	139.1 Å²	139.1	80%	0.796	77%	0.77	S	S	*	*			trans	-57.9	115.3	162.2	-81.1	-84.5	0	0	0	108.9	Y472 P476	Y472-H474 PolarHBondContact O-N 3.01Å; H474-P476 WeakPolarHBondContact O-CD 3.5Å
475	S	26	Very low	25.8	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	78%	0.777	S	S	*	*			trans	-61.1	121.5	165.4	-84.4	0	0	0	0	109.1	V473 C477	V473-S475 PolarHBondContact O-N 2.89Å; S475-C477 PolarHBondContact O-N 3.05Å
476	P	26.9	Very low	25.7	Very low	120 Å²	120	138.7 Å²	138.7	78%	0.779	78%	0.777	S	S	*	*			trans	-73.2	111.8	176.9	-4.4	20.1	0	0	0	108.8	H474 Q478	H474-P476 WeakPolarHBondContact O-CD 3.5Å; P476-Q478 PolarHBondContact O-N 3.17Å; P476-Q478 VanDerWaalsContact O-N 3.15Å
477	C	23.9	Very low	25.7	Very low	112 Å²	112	140.5 Å²	140.5	76%	0.757	79%	0.792	S	S	*	*			trans	-69.8	105.7	166.7	-166.5	0	0	0	0	107.6	S475 K479	S475-C477 PolarHBondContact O-N 3.05Å; C477-K479 PolarHBondContact O-N 3.43Å
478	Q	23.8	Very low	25.8	Very low	192 Å²	192	142.3 Å²	142.3	90%	0.897	79%	0.794	S	S	*	*			trans	-62	98.1	169.1	-77.9	175.5	-21.1	0	0	108.7	P476	P476-Q478 PolarHBondContact O-N 3.17Å; P476-Q478 VanDerWaalsContact O-N 3.15Å
479	K	26.8	Very low	25.9	Very low	182 Å²	182	141.6 Å²	141.6	79%	0.791	79%	0.794	S	S	*	*			trans	-118.7	110.5	155.6	-79.4	-171.2	176.7	-178.6	0	107.4	C477 A481	C477-K479 PolarHBondContact O-N 3.43Å; K479-A481 PolarHBondContact O-N 2.85Å; K479-A481 VanDerWaalsContact O-N 3.1Å
480	E	23.7	Very low	26.1	Very low	203 Å²	203	141.4 Å²	141.4	95%	0.949	80%	0.799	S	S	*	*			trans	-52.7	110.6	166.5	-66.2	175.8	153.3	0	0	108.8
481	A	27.4	Very low	26.2	Very low	95 Å²	95	142.4 Å²	142.4	79%	0.785	81%	0.805	S	S	*	*			trans	-147.8	120.4	164	0	0	0	0	0	108.6	K479	K479-A481 PolarHBondContact O-N 2.85Å; K479-A481 VanDerWaalsContact O-N 3.1Å
482	Q	24.2	Very low	26.3	Very low	199 Å²	199	145.5 Å²	145.5	93%	0.93	82%	0.818	S	S	*	*			trans	-66	141.2	-176.8	-62.9	162.3	-15.3	0	0	111.3
483	G	23.3	Very low	26.4	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	81%	0.813	S	S	*	*			trans	98.3	122.5	146.1	0	0	0	0	0	118.1
484	M	27.5	Very low	26.6	Very low	199 Å²	199	140.4 Å²	140.4	98%	0.98	81%	0.813	S	S	*	*			trans	88	103.8	151.7	-59.7	-172	151.6	0	0	119
485	S	25.4	Very low	26.6	Very low	121 Å²	121	143 Å²	143	85%	0.846	82%	0.816	S	S	*	*			trans	-68.6	134.1	171.1	176.5	0	0	0	0	113.2
486	S	27.4	Very low	26.8	Very low	108 Å²	108	148.5 Å²	148.5	76%	0.755	82%	0.819	S	S	*	*			trans	-167.5	90.9	142.6	61	0	0	0	0	110.4
487	T	27.3	Very low	26.9	Very low	140 Å²	140	150.4 Å²	150.4	86%	0.859	82%	0.823	S	S	*	*			trans	-95.6	111.7	170.7	-54.9	0	0	0	0	109
488	I	27.4	Very low	27.2	Very low	160 Å²	160	153 Å²	153	82%	0.821	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-89.3	119.1	170.9	-62.3	174.2	0	0	0	107.5
489	A	28.4	Very low	27.5	Very low	77 Å²	77	152.6 Å²	152.6	64%	0.636	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-88.8	137.7	176.8	0	0	0	0	0	111.1
490	P	28.9	Very low	27.6	Very low	119 Å²	119	150.4 Å²	150.4	77%	0.773	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-83.5	123.7	-175.6	32.2	-30.8	0	0	0	111.3
491	T	28.2	Very low	27.9	Very low	129 Å²	129	146.8 Å²	146.8	79%	0.791	82%	0.821	S	S	*	*			trans	-95.2	105.9	178.7	-2.9	0	0	0	0	109.1
492	F	28.5	Very low	28.2	Very low	203 Å²	203	151.5 Å²	151.5	89%	0.89	83%	0.826	S	S	*	*			trans	-94.1	103.2	164.7	-91.9	-85.2	0	0	0	108.8
493	S	27.8	Very low	28.6	Very low	106 Å²	106	147.5 Å²	147.5	74%	0.741	82%	0.82	S	S	*	*			trans	-87.6	105.5	178.3	-60	0	0	0	0	110.8
494	V	30.3	Very low	29.2	Very low	127 Å²	127	148.5 Å²	148.5	77%	0.77	82%	0.821	S	S	*	*			trans	-91.7	108.2	161.3	176	0	0	0	0	107.4	R496	V494-R496 PolarHBondContact O-N 3.17Å
495	R	24.9	Very low	29.5	Very low	228 Å²	228	147.6 Å²	147.6	86%	0.86	81%	0.814	S	S	*	*			trans	-59.5	120.5	174	-79.5	-179.5	171.5	179.8	-3.2	109.8
496	R	31.2	Very low	30	Very low	226 Å²	226	149.2 Å²	149.2	85%	0.853	81%	0.812	S	S	*	*			trans	-123.3	113.1	155.2	-72.3	-171.9	-156.6	151.4	7	107	V494 L498	V494-R496 PolarHBondContact O-N 3.17Å; R496-L498 PolarHBondContact O-N 3.39Å; R496-L498 VanDerWaalsContact O-N 3.17Å
497	D	28.3	Very low	30.5	Very low	160 Å²	160	151.5 Å²	151.5	86%	0.856	82%	0.816	S	S	*	*			trans	-66.4	106.2	171.4	-58.7	-44.3	0	0	0	107.6
498	L	30.2	Very low	30.9	Very low	167 Å²	167	155.4 Å²	155.4	87%	0.874	82%	0.815	S	S	*	*			trans	-126.8	119.1	169.9	-159.7	74.2	0	0	0	108.2	R496 T500	R496-L498 PolarHBondContact O-N 3.39Å; R496-L498 VanDerWaalsContact O-N 3.17Å; L498-T500 PolarHBondContact O-N 2.8Å
499	E	30.8	Very low	31.7	Very low	183 Å²	183	153.5 Å²	153.5	86%	0.855	82%	0.816	S	S	*	*			trans	-54.3	123.6	-172.7	-68.8	174.8	149.3	0	0	112.2	T501	E499-T501 PolarHBondContact O-N 2.85Å; E499-T501 VanDerWaalsContact O-N 3.1Å
500	T	29.2	Very low	32.5	Very low	137 Å²	137	157.9 Å²	157.9	84%	0.84	82%	0.823	S	S	*	*			trans	-53.2	103.6	176.8	2.3	0	0	0	0	111.7	L498	L498-T500 PolarHBondContact O-N 2.8Å
501	T	29.4	Very low	33.3	Very low	127 Å²	127	163.6 Å²	163.6	78%	0.779	83%	0.829	S	S	*	*			trans	-97.1	122.1	162.1	34.9	0	0	0	0	109.2	E499 S503	E499-T501 PolarHBondContact O-N 2.85Å; E499-T501 VanDerWaalsContact O-N 3.1Å; T501-S503 PolarHBondContact O-N 2.65Å
502	H	33.1	Very low	34.2	Very low	194 Å²	194	166.2 Å²	166.2	90%	0.898	83%	0.829	S	S	*	*			trans	-55.1	102.9	-172.2	-71.4	-91.4	0	0	0	112.5	A504	H502-A504 PolarHBondContact O-N 3Å
503	S	32.8	Very low	35.2	Very low	115 Å²	115	164.4 Å²	164.4	80%	0.804	82%	0.824	S	S	*	*			trans	-80.4	108.4	173.8	-67.5	0	0	0	0	110	T501 Q505	T501-S503 PolarHBondContact O-N 2.65Å; S503-Q505 PolarHBondContact O-N 2.66Å
504	A	36.4	Very low	36.3	Very low	92 Å²	92	167.5 Å²	167.5	76%	0.76	83%	0.831	S	S	*	*			trans	-61.6	123.2	169.3	0	0	0	0	0	109.9	H502 I506	H502-A504 PolarHBondContact O-N 3Å; A504-I506 PolarHBondContact O-N 3.15Å
505	Q	33.9	Very low	37.5	Very low	180 Å²	180	170.4 Å²	170.4	84%	0.841	83%	0.834	S	S	*	*			trans	-65.9	99.4	-178.4	-69.8	176.1	-30.3	0	0	111.1	S503 N507	S503-Q505 PolarHBondContact O-N 2.66Å; Q505-N507 PolarHBondContact O-N 3.3Å
506	I	36.6	Very low	39.3	Very low	155 Å²	155	164.7 Å²	164.7	80%	0.795	83%	0.826	S	S	*	*			trans	-87.3	96.9	163.6	-60.5	178.2	0	0	0	107.4	A504 R508	A504-I506 PolarHBondContact O-N 3.15Å; I506-R508 PolarHBondContact O-N 3.02Å
507	N	36.7	Very low	41	Very low	156 Å²	156	163.6 Å²	163.6	83%	0.834	83%	0.831	S	S	*	*			trans	-63	93.9	170.7	-88.9	-26.9	0	0	0	109.9	Q505	Q505-N507 PolarHBondContact O-N 3.3Å
508	R	36.6	Very low	43.2	Very low	223 Å²	223	161.6 Å²	161.6	84%	0.842	82%	0.824	S	S	*	*			trans	-101.1	109.1	168.2	-142.9	178.3	-170.8	-171.7	2.4	108.7	I506 E510	I506-R508 PolarHBondContact O-N 3.02Å; R508-E510 PolarHBondContact O-N 3.48Å
509	S	43.9	Very low	45.6	Very low	119 Å²	119	161 Å²	161	83%	0.832	82%	0.822	S	S	*	*			trans	-62	101.5	177	46	0	0	0	0	111.1	R511	S509-R511 PolarHBondContact O-N 2.97Å
510	E	46	Very low	48	Very low	170 Å²	170	157.1 Å²	157.1	79%	0.794	81%	0.81	S	S	*	*			trans	-71.1	88.3	176.7	-67.9	-177.8	165.8	0	0	111.1	R508 K512	R508-E510 PolarHBondContact O-N 3.48Å; E510-K512 PolarHBondContact O-N 3.4Å; E510-K512 VanDerWaalsContact O-N 3.07Å
511	R	45.6	Very low	50.6	Low	238 Å²	238	155.6 Å²	155.6	90%	0.898	80%	0.803	S	S	*	*			trans	-69.6	98.8	157.8	-103.9	-179.1	173.5	174.3	-1.7	107.4	S509 Q513	S509-R511 PolarHBondContact O-N 2.97Å; R511-Q513 VanDerWaalsContact C-N 3.29Å; R511-Q513 PolarHBondContact O-N 3.12Å
512	K	47.1	Very low	53.1	Low	184 Å²	184	158 Å²	158	80%	0.8	80%	0.798	S	S	*	*			trans	-59.2	89.3	169.9	-70.5	-179.4	179.5	179.7	0	109.4	E510 L514	E510-K512 PolarHBondContact O-N 3.4Å; E510-K512 VanDerWaalsContact O-N 3.07Å; K512-L514 PolarHBondContact O-N 3.29Å
513	Q	49.1	Very low	55.7	Low	166 Å²	166	157.1 Å²	157.1	78%	0.776	79%	0.792	S	S	*	*			trans	-66	117	165.9	-80.1	-179	-18	0	0	107.5	R511 F515	R511-Q513 VanDerWaalsContact C-N 3.29Å; R511-Q513 PolarHBondContact O-N 3.12Å; Q513-F515 PolarHBondContact O-N 3.42Å; Q513-F515 VanDerWaalsContact O-N 3.08Å
514	L	50.1	Low	58.4	Low	171 Å²	171	158.1 Å²	158.1	90%	0.895	78%	0.779	S	S	*	*			trans	-60.1	107.3	171	-76.4	145	0	0	0	107.8	K512	K512-L514 PolarHBondContact O-N 3.29Å
515	F	55.8	Low	60.8	Low	187 Å²	187	156.4 Å²	156.4	82%	0.82	75%	0.754	S	S	*	*			trans	-61.3	134.5	171.1	-70.9	-82.2	0	0	0	108.8	Q513 Q517	Q513-F515 PolarHBondContact O-N 3.42Å; Q513-F515 VanDerWaalsContact O-N 3.08Å; F515-Q517 PolarHBondContact O-N 3.34Å
516	P	63.2	Low	63.3	Low	109 Å²	109	149.3 Å²	149.3	71%	0.708	72%	0.724	S	S	*	*			trans	-55.5	130.8	175.1	-19.2	29.1	0	0	0	109.4	V518	P516-V518 PolarHBondContact O-N 3.48Å
517	Q	66.2	Low	65.8	Low	202 Å²	202	145.3 Å²	145.3	94%	0.944	70%	0.699	S	S	*	*			trans	-63.7	101.2	170.1	-76.9	-167.2	-33.4	0	0	108	F515 D519	F515-Q517 PolarHBondContact O-N 3.34Å; Q517-D519 PolarHBondContact O-N 3.36Å
518	V	75.8	Confident	68.2	Low	118 Å²	118	138.4 Å²	138.4	72%	0.715	67%	0.665	S	S	*	*			trans	-74.6	110.6	170	-178	0	0	0	0	106.2	P516 V520	P516-V518 PolarHBondContact O-N 3.48Å; V518-V520 HydrophobicContact CG1-CG2 4.1Å; V518-V520 PolarHBondContact O-N 3.34Å
519	D	79.7	Confident	70.5	Confident	155 Å²	155	135 Å²	135	83%	0.829	66%	0.656	S	S	*	*			trans	-70.1	93.4	173.7	-165.9	12.5	0	0	0	108.3	Q517 P521	Q517-D519 PolarHBondContact O-N 3.36Å; D519-P521 VanDerWaalsContact O-CD 3.31Å; D519-P521 WeakPolarHBondContact O-CD 3.36Å
520	V	80.1	Confident	72.4	Confident	101 Å²	101	133.1 Å²	133.1	61%	0.612	64%	0.641	S	S	*	*			trans	-81.6	115.2	-179.2	179.7	0	0	0	0	108.4	V518 R522	V518-V520 HydrophobicContact CG1-CG2 4.1Å; V518-V520 PolarHBondContact O-N 3.34Å; V520-R522 PolarHBondContact O-N 2.72Å
521	P	84.2	Confident	74	Confident	106 Å²	106	128.7 Å²	128.7	69%	0.688	62%	0.623	S	S	*	*			trans	-58.8	137.9	178.7	-23.2	34.2	0	0	0	111.3	D519 F523	D519-P521 VanDerWaalsContact O-CD 3.31Å; D519-P521 WeakPolarHBondContact O-CD 3.36Å; P521-F523 PolarHBondContact O-N 3.3Å; P521-F523 VanDerWaalsContact O-N 3.16Å
522	R	83	Confident	75.6	Confident	178 Å²	178	124.4 Å²	124.4	67%	0.672	61%	0.611	S	S	*	*			trans	-61.1	120.4	175.3	-174.4	177.5	-177.7	174.5	6	109.6	V520 Y524 F525	V520-R522 PolarHBondContact O-N 2.72Å; R522-Y524 PolarHBondContact NE-O 2.95Å; R522-Y524 VanDerWaalsContact NE-O 3.07Å; R522-F525 HydrophobicContact CB-CZ 4.25Å; R522-F525 HydrophobicContact CG-CE1 4.21Å; R522-F525 HydrophobicContact CG-CZ 4.11Å; R522-F525 WeakPolarHBondContact O-CE2 3.38Å; R522-F525 WeakPolarHBondContact O-CZ 3.19Å
523	F	86.5	Confident	77	Confident	174 Å²	174	124.5 Å²	124.5	76%	0.763	61%	0.611	S	S	*	*			trans	-109.7	-18.4	-179.9	64.1	-91.6	0	0	0	113.6	P521 F525	P521-F523 PolarHBondContact O-N 3.3Å; P521-F523 VanDerWaalsContact O-N 3.16Å; F523-F525 WeakPolarHBondContact O-CD2 3.29Å
524	Y	89.3	Confident	78.7	Confident	136 Å²	136	122 Å²	122	53%	0.533	60%	0.603	S	S	.	*			trans	-101.6	122.5	179.8	-177.3	-116.2	0	0	0	112.2	R522 P526	R522-Y524 PolarHBondContact NE-O 2.95Å; R522-Y524 VanDerWaalsContact NE-O 3.07Å; Y524-P526 HydrophobicContact CE1-CB 4.04Å; Y524-P526 HydrophobicContact CE1-CG 4.08Å
525	F	88.4	Confident	80.4	Confident	56 Å²	56	117.9 Å²	117.9	25%	0.246	58%	0.579	C	S	.	*			trans	-132.1	85	-174.4	-63.5	-84.3	0	0	0	110.2	R522 F523 Y527 G528 K529	R522-F525 HydrophobicContact CB-CZ 4.25Å; R522-F525 HydrophobicContact CG-CE1 4.21Å; R522-F525 HydrophobicContact CG-CZ 4.11Å; R522-F525 WeakPolarHBondContact O-CE2 3.38Å; R522-F525 WeakPolarHBondContact O-CZ 3.19Å; F523-F525 WeakPolarHBondContact O-CD2 3.29Å; F525-Y527 PolarHBondContact O-N 3.36Å; F525-Y527 VanDerWaalsContact O-N 3.11Å; F525-G528 WeakPolarHBondContact CB-O 3.37Å; F525-G528 PolarHBondContact O-N 3.32Å; F525-K529 HydrophobicContact CB-CG 4.34Å; F525-K529 HydrophobicContact CD1-CG 4.32Å; F525-K529 HydrophobicContact CD2-CG 3.74Å; F525-K529 HydrophobicContact CE2-CG 4.06Å; F525-K529 HydrophobicContact CG-CG 3.88Å; F525-K529 HydrophobicContact CZ-CG 4.48Å
526	P	86.4	Confident	81.9	Confident	31 Å²	31	110.8 Å²	110.8	20%	0.201	55%	0.55	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.4	-174.2	22.5	-32.7	0	0	0	114	Y524 R681	Y524-P526 HydrophobicContact CE1-CB 4.04Å; Y524-P526 HydrophobicContact CE1-CG 4.08Å; P526-R681 PolarHBondContact O-NH1 3Å; P526-R681 PolarHBondContact O-NH2 2.71Å
527	Y	89.3	Confident	83.3	Confident	71 Å²	71	110 Å²	110	28%	0.278	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	29.6	-175.7	-48.5	-51.8	0	0	0	112.8	F525 V603 R604 H605 D606 D621	F525-Y527 PolarHBondContact O-N 3.36Å; F525-Y527 VanDerWaalsContact O-N 3.11Å; Y527-V603 WeakPolarHBondContact CB-O 3.42Å; Y527-V603 HydrophobicContact CD2-CG1 4.26Å; Y527-R604 VanDerWaalsContact CE1-CZ 3.47Å; Y527-H605 PolarHBondContact O-N 2.78Å; Y527-D606 VanDerWaalsContact C-OD1 3.29Å; Y527-D606 PolarHBondContact O-N 3.19Å; Y527-D621 PolarHBondContact OH-OD2 3.05Å
528	G	86.3	Confident	84.6	Confident	11 Å²	11	105.8 Å²	105.8	11%	0.113	52%	0.517	C	S	.	.			trans	85	161.5	-176.2	0	0	0	0	0	113.1	F525 H605	F525-G528 WeakPolarHBondContact CB-O 3.37Å; F525-G528 PolarHBondContact O-N 3.32Å; G528-H605 PolarHBondContact O-CD2 3.31Å
529	K	85.1	Confident	85.3	Confident	152 Å²	152	100.6 Å²	100.6	66%	0.661	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-75.5	134.8	174.4	-70.6	-179	-179.9	178.2	0	108.8	F525 N531 H605	F525-K529 HydrophobicContact CB-CG 4.34Å; F525-K529 HydrophobicContact CD1-CG 4.32Å; F525-K529 HydrophobicContact CD2-CG 3.74Å; F525-K529 HydrophobicContact CE2-CG 4.06Å; F525-K529 HydrophobicContact CG-CG 3.88Å; F525-K529 HydrophobicContact CZ-CG 4.48Å; K529-N531 PolarHBondContact O-N 3.37Å; K529-H605 WeakPolarHBondContact O-CB 3.24Å
530	P	83.6	Confident	86	Confident	80 Å²	80	93.4 Å²	93.4	52%	0.519	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-52	126.4	177.3	-26.1	32.9	0	0	0	112.6	H605	P530-H605 VanDerWaalsContact CA-CG 3.49Å
531	N	78.6	Confident	86.8	Confident	76 Å²	76	95.8 Å²	95.8	41%	0.406	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-67.5	155.6	176.7	-67.2	-22.6	0	0	0	110.7	K529 E535 H605	K529-N531 PolarHBondContact O-N 3.37Å; N531-E535 WeakPolarHBondContact CB-OE2 3.26Å; N531-H605 PolarHBondContact ND2-O 3.31Å; N531-H605 PolarHBondContact OD1-O 3.27Å
532	K	79.3	Confident	87.3	Confident	149 Å²	149	97.7 Å²	97.7	65%	0.648	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-68.5	143.5	174.2	-67.2	175.3	-176.6	168.9	0	108.7	N534 E535	K532-N534 PolarHBondContact O-N 3.45Å; K532-E535 HydrophobicContact CB-CG 4.23Å; K532-E535 PolarHBondContact N-OE2 3.31Å; K532-E535 WeakPolarHBondContact O-CB 3.46Å; K532-E535 PolarHBondContact O-N 3.17Å
533	K	76.4	Confident	87.9	Confident	185 Å²	185	89.2 Å²	89.2	80%	0.804	41%	0.414	S	S	*	.	H	α-helix	trans	-52.4	-33.7	177.8	-74.9	-172.8	175.7	-177.5	0	112.8	L536 E537	K533-L536 PolarHBondContact O-N 3.32Å; K533-E537 PolarHBondContact O-N 3.07Å
534	N	84.5	Confident	88.3	Confident	115 Å²	115	82.2 Å²	82.2	62%	0.615	39%	0.387	S	S	*	.	H	α-helix	trans	-65.5	-38	178.6	-62.7	3.2	0	0	0	112.8	K532 L536 E537 E538	K532-N534 PolarHBondContact O-N 3.45Å; N534-L536 VanDerWaalsContact C-N 3.31Å; N534-L536 PolarHBondContact O-N 3.02Å; N534-E537 PolarHBondContact O-N 2.83Å; N534-E538 WeakPolarHBondContact O-CB 3.18Å; N534-E538 VanDerWaalsContact O-CG 3.3Å; N534-E538 WeakPolarHBondContact O-CG 3.36Å; N534-E538 PolarHBondContact O-N 3.28Å
535	E	86.1	Confident	88.6	Confident	83 Å²	83	77.1 Å²	77.1	39%	0.388	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-36.4	-178.3	-68.3	162.6	-177.7	0	0	111.4	N531 K532 A539	N531-E535 WeakPolarHBondContact CB-OE2 3.26Å; K532-E535 HydrophobicContact CB-CG 4.23Å; K532-E535 PolarHBondContact N-OE2 3.31Å; K532-E535 WeakPolarHBondContact O-CB 3.46Å; K532-E535 PolarHBondContact O-N 3.17Å; E535-A539 WeakPolarHBondContact O-CB 3.42Å; E535-A539 PolarHBondContact O-N 3.08Å
536	L	88	Confident	89	Confident	39 Å²	39	75.4 Å²	75.4	20%	0.204	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-46.5	175.3	179.1	62.7	0	0	0	111.6	K533 N534 A539 L540 N601	K533-L536 PolarHBondContact O-N 3.32Å; N534-L536 VanDerWaalsContact C-N 3.31Å; N534-L536 PolarHBondContact O-N 3.02Å; L536-A539 PolarHBondContact O-N 3.3Å; L536-L540 HydrophobicContact CD1-CD1 4.43Å; L536-L540 HydrophobicContact CG-CD1 4.3Å; L536-L540 WeakPolarHBondContact O-CG 3.49Å; L536-L540 PolarHBondContact O-N 3.43Å; L536-N601 HydrophobicContact CD1-CB 4.14Å
537	E	92.9	Very high	89.5	Confident	92 Å²	92	74.1 Å²	74.1	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-68.6	-37.8	179.7	-60.9	-54.6	149.5	0	0	111.9	K533 N534 A539 L540 Q541 R598	K533-E537 PolarHBondContact O-N 3.07Å; N534-E537 PolarHBondContact O-N 2.83Å; E537-A539 PolarHBondContact O-N 2.91Å; E537-L540 PolarHBondContact O-N 3.16Å; E537-Q541 WeakPolarHBondContact O-CB 2.99Å; E537-Q541 PolarHBondContact O-N 3.17Å; E537-R598 IonicContact OE1-CZ 3.8Å; E537-R598 IonicContact OE1-NH1 3.66Å; E537-R598 PolarHBondContact OE1-NH1 2.9Å; E537-R598 IonicContact OE1-NH2 3.01Å; E537-R598 PolarHBondContact OE1-NH2 3.04Å; E537-R598 IonicContact OE2-CZ 3.21Å; E537-R598 IonicContact OE2-NH1 2.79Å; E537-R598 IonicContact OE2-NH2 3.27Å; E537-R598 PolarHBondContact OE2-NH2 2.83Å
538	E	92.4	Very high	89.8	Confident	113 Å²	113	77.9 Å²	77.9	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-41.8	173.9	-74.9	171.5	-162.2	0	0	111.9	N534 Q541 R542	N534-E538 WeakPolarHBondContact O-CB 3.18Å; N534-E538 VanDerWaalsContact O-CG 3.3Å; N534-E538 WeakPolarHBondContact O-CG 3.36Å; N534-E538 PolarHBondContact O-N 3.28Å; E538-Q541 PolarHBondContact O-N 3.31Å; E538-R542 WeakPolarHBondContact O-CG 3.38Å; E538-R542 PolarHBondContact O-N 3.26Å; E538-R542 VanDerWaalsContact O-N 3.09Å
539	A	92	Very high	90.1	Very high	9 Å²	9	83.9 Å²	83.9	7%	0.074	41%	0.407	C	S	.	.	H	α-helix	trans	-62.5	-46	173.9	0	0	0	0	0	111.6	E535 L536 E537 Q541 R542 V543	E535-A539 WeakPolarHBondContact O-CB 3.42Å; E535-A539 PolarHBondContact O-N 3.08Å; L536-A539 PolarHBondContact O-N 3.3Å; E537-A539 PolarHBondContact O-N 2.91Å; A539-Q541 VanDerWaalsContact C-N 3.33Å; A539-Q541 PolarHBondContact O-N 3.11Å; A539-R542 PolarHBondContact O-N 3.29Å; A539-V543 WeakPolarHBondContact O-CG2 3.47Å; A539-V543 PolarHBondContact O-N 2.99Å
540	L	94.5	Very high	90.5	Very high	5 Å²	5	79.8 Å²	79.8	3%	0.026	39%	0.388	C	S	.	.	H	α-helix	trans	-64.6	-35.7	178.1	-71.7	173.8	0	0	0	112.6	L536 E537 V543 S544 F590 F593 E594 W597 R598	L536-L540 HydrophobicContact CD1-CD1 4.43Å; L536-L540 HydrophobicContact CG-CD1 4.3Å; L536-L540 WeakPolarHBondContact O-CG 3.49Å; L536-L540 PolarHBondContact O-N 3.43Å; E537-L540 PolarHBondContact O-N 3.16Å; L540-V543 PolarHBondContact O-N 3.49Å; L540-S544 WeakPolarHBondContact O-CB 3.45Å; L540-S544 PolarHBondContact O-N 2.73Å; L540-F590 WeakPolarHBondContact O-CE2 3.04Å; L540-F593 HydrophobicContact CD2-CD1 4.41Å; L540-F593 HydrophobicContact CD2-CE1 4.12Å; L540-E594 HydrophobicContact CD1-CG 4.29Å; L540-E594 HydrophobicContact CD2-CB 4.33Å; L540-E594 HydrophobicContact CD2-CG 4.15Å; L540-W597 HydrophobicContact CD2-CB 4.31Å; L540-W597 HydrophobicContact CD2-CG 4.33Å; L540-R598 HydrophobicContact CD1-CG 4.19Å
541	Q	95.1	Very high	90.9	Very high	150 Å²	150	79.4 Å²	79.4	70%	0.701	40%	0.399	S	S	*	.	H	α-helix	trans	-65.1	-43.5	175.3	-173.1	175.8	5.3	0	0	111.7	E537 E538 A539 S544 G545	E537-Q541 WeakPolarHBondContact O-CB 2.99Å; E537-Q541 PolarHBondContact O-N 3.17Å; E538-Q541 PolarHBondContact O-N 3.31Å; A539-Q541 VanDerWaalsContact C-N 3.33Å; A539-Q541 PolarHBondContact O-N 3.11Å; Q541-S544 WeakPolarHBondContact O-CB 3.29Å; Q541-S544 PolarHBondContact O-N 3.27Å; Q541-G545 PolarHBondContact O-N 3.36Å
542	R	95.4	Very high	91.4	Very high	146 Å²	146	77.4 Å²	77.4	55%	0.551	40%	0.396	S	S	*	.	H	α-helix	trans	-59.5	-48	174.3	-73.6	-173.1	-70.8	155.3	1.9	111.3	E538 A539 S544 G545 I546 A565	E538-R542 WeakPolarHBondContact O-CG 3.38Å; E538-R542 PolarHBondContact O-N 3.26Å; E538-R542 VanDerWaalsContact O-N 3.09Å; A539-R542 PolarHBondContact O-N 3.29Å; R542-S544 VanDerWaalsContact C-N 3.35Å; R542-S544 PolarHBondContact O-N 2.66Å; R542-G545 PolarHBondContact O-N 3.4Å; R542-G545 VanDerWaalsContact O-N 3.12Å; R542-I546 PolarHBondContact O-N 2.92Å; R542-A565 PolarHBondContact NH1-O 3.01Å; R542-A565 PolarHBondContact NH2-O 3.32Å
543	V	96	Very high	92	Very high	0 Å²	0	76 Å²	76	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-63.2	-39	178.7	172.8	0	0	0	0	112.1	A539 L540 G545 I546 F547 V562 A565 V566 F590 F593	A539-V543 WeakPolarHBondContact O-CG2 3.47Å; A539-V543 PolarHBondContact O-N 2.99Å; L540-V543 PolarHBondContact O-N 3.49Å; V543-G545 PolarHBondContact O-N 3.01Å; V543-I546 PolarHBondContact O-N 2.77Å; V543-I546 VanDerWaalsContact O-N 3.11Å; V543-F547 HydrophobicContact CG1-CD2 3.67Å; V543-F547 HydrophobicContact CG1-CE2 3.56Å; V543-F547 WeakPolarHBondContact O-CD2 3.45Å; V543-F547 PolarHBondContact O-N 3.25Å; V543-V562 HydrophobicContact CG1-CG1 3.86Å; V543-V562 HydrophobicContact CG1-CG2 3.97Å; V543-V562 HydrophobicContact CG2-CG1 3.99Å; V543-A565 HydrophobicContact CG2-CB 4.41Å; V543-V566 HydrophobicContact CG2-CG1 3.66Å; V543-F590 HydrophobicContact CB-CE2 4.43Å; V543-F590 HydrophobicContact CG1-CD2 4.09Å; V543-F590 HydrophobicContact CG1-CE2 4.16Å; V543-F593 HydrophobicContact CB-CE1 4.16Å; V543-F593 HydrophobicContact CG1-CD1 3.62Å; V543-F593 HydrophobicContact CG1-CE1 3.65Å; V543-F593 HydrophobicContact CG1-CG 4.3Å; V543-F593 HydrophobicContact CG1-CZ 4.33Å; V543-F593 HydrophobicContact CG2-CE1 4Å; V543-F593 HydrophobicContact CG2-CZ 4.27Å
544	S	95.7	Very high	92.7	Very high	28 Å²	28	67.2 Å²	67.2	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-58.9	-37.7	174.4	-172.1	0	0	0	0	112.2	L540 Q541 R542 K548	L540-S544 WeakPolarHBondContact O-CB 3.45Å; L540-S544 PolarHBondContact O-N 2.73Å; Q541-S544 WeakPolarHBondContact O-CB 3.29Å; Q541-S544 PolarHBondContact O-N 3.27Å; R542-S544 VanDerWaalsContact C-N 3.35Å; R542-S544 PolarHBondContact O-N 2.66Å; S544-K548 VanDerWaalsContact O-CG 3.3Å; S544-K548 WeakPolarHBondContact O-CG 3.44Å; S544-K548 PolarHBondContact O-N 2.71Å
545	G	95.6	Very high	93	Very high	29 Å²	29	64.9 Å²	64.9	30%	0.299	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-44.4	173.2	0	0	0	0	0	112.7	Q541 R542 V543 K548 N549	Q541-G545 PolarHBondContact O-N 3.36Å; R542-G545 PolarHBondContact O-N 3.4Å; R542-G545 VanDerWaalsContact O-N 3.12Å; V543-G545 PolarHBondContact O-N 3.01Å; G545-K548 WeakPolarHBondContact O-CB 3.37Å; G545-K548 PolarHBondContact O-N 3.47Å; G545-N549 PolarHBondContact O-N 2.77Å
546	I	96.2	Very high	93.3	Very high	20 Å²	20	63.1 Å²	63.1	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-51.7	178.4	-61	169	0	0	0	110.3	R542 V543 K548 N549 Y550 E561 V562 A565	R542-I546 PolarHBondContact O-N 2.92Å; V543-I546 PolarHBondContact O-N 2.77Å; V543-I546 VanDerWaalsContact O-N 3.11Å; I546-K548 PolarHBondContact O-N 2.97Å; I546-K548 VanDerWaalsContact O-N 3.15Å; I546-N549 WeakPolarHBondContact O-CB 3.29Å; I546-N549 PolarHBondContact O-N 3.21Å; I546-Y550 HydrophobicContact CG2-CD2 4.21Å; I546-Y550 HydrophobicContact CG2-CE2 4.15Å; I546-Y550 WeakPolarHBondContact O-CD2 3.38Å; I546-Y550 PolarHBondContact O-N 2.83Å; I546-E561 HydrophobicContact CD1-CB 4.25Å; I546-E561 HydrophobicContact CG2-CB 4.01Å; I546-V562 HydrophobicContact CB-CG2 4.28Å; I546-V562 HydrophobicContact CD1-CG2 4.32Å; I546-V562 HydrophobicContact CG2-CG2 3.92Å; I546-A565 HydrophobicContact CD1-CB 3.55Å
547	F	96.2	Very high	93.5	Very high	3 Å²	3	64.8 Å²	64.8	1%	0.013	34%	0.343	C	S	.	.	H	α-helix	trans	-58.8	-32.6	178.8	-83.7	-79.6	0	0	0	113.3	V543 Y550 G551 G552 L559 V562 V588 F590 F593	V543-F547 HydrophobicContact CG1-CD2 3.67Å; V543-F547 HydrophobicContact CG1-CE2 3.56Å; V543-F547 WeakPolarHBondContact O-CD2 3.45Å; V543-F547 PolarHBondContact O-N 3.25Å; F547-Y550 CarbonylContact O-C 3.48Å; F547-Y550 PolarHBondContact O-N 2.91Å; F547-G551 PolarHBondContact O-N 3.04Å; F547-G552 WeakPolarHBondContact O-CA 3.47Å; F547-G552 PolarHBondContact O-N 3.24Å; F547-L559 HydrophobicContact CZ-CD1 4.45Å; F547-L559 HydrophobicContact CZ-CD2 4.4Å; F547-V562 HydrophobicContact CD2-CG2 4.35Å; F547-V562 HydrophobicContact CE2-CG2 3.86Å; F547-V562 HydrophobicContact CZ-CG2 4.38Å; F547-V588 HydrophobicContact CE1-CG1 4.33Å; F547-V588 VanDerWaalsContact CE1-O 3.26Å; F547-V588 WeakPolarHBondContact CE1-O 3.33Å; F547-V588 HydrophobicContact CZ-CG1 4.15Å; F547-F590 HydrophobicContact CB-CB 4.08Å; F547-F590 HydrophobicContact CD1-CB 4.49Å; F547-F590 HydrophobicContact CD2-CB 3.91Å; F547-F590 AromaticContact CD2-CD2 3.87Å; F547-F590 HydrophobicContact CD2-CD2 3.87Å; F547-F590 HydrophobicContact CD2-CG 4.4Å; F547-F590 HydrophobicContact CE2-CB 4.49Å; F547-F590 HydrophobicContact CE2-CD2 4.39Å; F547-F590 HydrophobicContact CG-CB 3.9Å; F547-F593 HydrophobicContact CE2-CB 4.08Å; F547-F593 HydrophobicContact CE2-CG 4.33Å; F547-F593 HydrophobicContact CZ-CB 4.18Å
548	K	95	Very high	93.6	Very high	151 Å²	151	60.4 Å²	60.4	66%	0.657	32%	0.323	S	S	*	.	H	α-helix	trans	-65.1	-37.9	175.2	-74.4	169.2	-177	174.4	0	112.4	S544 G545 I546 Y550 G551	S544-K548 VanDerWaalsContact O-CG 3.3Å; S544-K548 WeakPolarHBondContact O-CG 3.44Å; S544-K548 PolarHBondContact O-N 2.71Å; G545-K548 WeakPolarHBondContact O-CB 3.37Å; G545-K548 PolarHBondContact O-N 3.47Å; I546-K548 PolarHBondContact O-N 2.97Å; I546-K548 VanDerWaalsContact O-N 3.15Å; K548-Y550 PolarHBondContact O-N 3.19Å; K548-G551 PolarHBondContact O-N 3.19Å; K548-G551 VanDerWaalsContact O-N 3.09Å
549	N	93.9	Very high	93.8	Very high	136 Å²	136	55 Å²	55	73%	0.727	30%	0.297	S	S	*	.	H	α-helix	trans	-63.5	-28.9	176.2	-63.9	-15.8	0	0	0	111.9	G545 I546	G545-N549 PolarHBondContact O-N 2.77Å; I546-N549 WeakPolarHBondContact O-CB 3.29Å; I546-N549 PolarHBondContact O-N 3.21Å
550	Y	93.4	Very high	94	Very high	67 Å²	67	54.6 Å²	54.6	26%	0.263	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	17.9	175.9	-72.6	-97.9	0	0	0	113.4	I546 F547 K548 G552 Q553 D555 C558 E561	I546-Y550 HydrophobicContact CG2-CD2 4.21Å; I546-Y550 HydrophobicContact CG2-CE2 4.15Å; I546-Y550 WeakPolarHBondContact O-CD2 3.38Å; I546-Y550 PolarHBondContact O-N 2.83Å; F547-Y550 CarbonylContact O-C 3.48Å; F547-Y550 PolarHBondContact O-N 2.91Å; K548-Y550 PolarHBondContact O-N 3.19Å; Y550-G552 VanDerWaalsContact C-N 3.26Å; Y550-G552 PolarHBondContact O-N 2.97Å; Y550-Q553 VanDerWaalsContact O-O 3.14Å; Y550-D555 WeakPolarHBondContact CE1-OD1 3.48Å; Y550-C558 HydrophobicContact CD1-CB 3.67Å; Y550-C558 HydrophobicContact CD2-CB 3.81Å; Y550-C558 VanDerWaalsContact CD2-SG 3.56Å; Y550-C558 HydrophobicContact CE1-CB 3.7Å; Y550-C558 HydrophobicContact CE2-CB 3.86Å; Y550-C558 HydrophobicContact CG-CB 3.72Å; Y550-E561 PolarHBondContact OH-OE1 3.25Å
551	G	91.4	Very high	94.1	Very high	72 Å²	72	58 Å²	58	74%	0.742	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	15.7	177	0	0	0	0	0	115.2	F547 K548	F547-G551 PolarHBondContact O-N 3.04Å; K548-G551 PolarHBondContact O-N 3.19Å; K548-G551 VanDerWaalsContact O-N 3.09Å
552	G	89.7	Confident	94.2	Very high	33 Å²	33	50.9 Å²	50.9	34%	0.34	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-9.2	178.1	0	0	0	0	0	115.1	F547 Y550	F547-G552 WeakPolarHBondContact O-CA 3.47Å; F547-G552 PolarHBondContact O-N 3.24Å; Y550-G552 VanDerWaalsContact C-N 3.26Å; Y550-G552 PolarHBondContact O-N 2.97Å
553	Q	91.1	Very high	94.2	Very high	121 Å²	121	43.9 Å²	43.9	57%	0.565	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120	111.4	175.8	-68.8	-174.1	-20.3	0	0	109.2	Y550 C587	Y550-Q553 VanDerWaalsContact O-O 3.14Å; Q553-C587 HydrophobicContact CB-CB 4.11Å
554	G	90.7	Very high	94.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.6	178.3	0	0	0	0	0	111.9	C558 V588	G554-C558 VanDerWaalsContact CA-SG 3.56Å; G554-V588 PolarHBondContact N-O 2.95Å; G554-V588 PolarHBondContact O-N 2.71Å
555	D	92.3	Very high	94.2	Very high	66 Å²	66	48.3 Å²	48.3	35%	0.353	27%	0.27	S	S	.	.			trans	-88.2	-171.6	166.2	68.7	-7.1	0	0	0	111	Y550 N557 C558 L559	Y550-D555 WeakPolarHBondContact CE1-OD1 3.48Å; D555-N557 VanDerWaalsContact C-N 3.31Å; D555-N557 PolarHBondContact O-N 3.47Å; D555-N557 PolarHBondContact OD1-N 3.11Å; D555-C558 WeakPolarHBondContact O-CB 3.1Å; D555-C558 PolarHBondContact O-N 2.74Å; D555-C558 VanDerWaalsContact OD1-CB 3.3Å; D555-C558 WeakPolarHBondContact OD1-CB 3.34Å; D555-C558 PolarHBondContact OD1-N 3.36Å; D555-L559 WeakPolarHBondContact O-CD2 3.48Å; D555-L559 PolarHBondContact O-N 3.12Å; D555-L559 VanDerWaalsContact O-N 3.1Å
556	L	91.6	Very high	94.1	Very high	46 Å²	46	48 Å²	48	24%	0.241	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-37.4	-178.7	-170.4	62.6	0	0	0	112.9	L559 G560 R573 Q574 F577	L556-L559 PolarHBondContact O-N 3.42Å; L556-G560 PolarHBondContact O-N 3.13Å; L556-G560 VanDerWaalsContact O-N 3.13Å; L556-R573 HydrophobicContact CD1-CB 4.08Å; L556-R573 HydrophobicContact CD1-CG 3.85Å; L556-R573 HydrophobicContact CG-CG 4.07Å; L556-Q574 HydrophobicContact CD1-CB 4.13Å; L556-Q574 VanDerWaalsContact CD1-OE1 3.24Å; L556-F577 HydrophobicContact CD1-CB 4.1Å; L556-F577 HydrophobicContact CD1-CG 4.45Å
557	N	92.7	Very high	94	Very high	74 Å²	74	49 Å²	49	40%	0.396	28%	0.278	S	S	.	.	H	α-helix	trans	-68.2	-43.1	179	-66.5	-33	0	0	0	111.3	D555 L559 G560 E561 R573	D555-N557 VanDerWaalsContact C-N 3.31Å; D555-N557 PolarHBondContact O-N 3.47Å; D555-N557 PolarHBondContact OD1-N 3.11Å; N557-L559 PolarHBondContact O-N 3Å; N557-G560 WeakPolarHBondContact O-CA 3.01Å; N557-G560 PolarHBondContact O-N 3.03Å; N557-E561 PolarHBondContact O-N 2.64Å; N557-E561 VanDerWaalsContact O-N 3.17Å; N557-R573 PolarHBondContact OD1-NH1 3.17Å
558	C	95.6	Very high	94	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-52.9	-44.4	171	-176.7	0	0	0	0	110.9	Y550 G554 D555 G560 E561 V562	Y550-C558 HydrophobicContact CD1-CB 3.67Å; Y550-C558 HydrophobicContact CD2-CB 3.81Å; Y550-C558 VanDerWaalsContact CD2-SG 3.56Å; Y550-C558 HydrophobicContact CE1-CB 3.7Å; Y550-C558 HydrophobicContact CE2-CB 3.86Å; Y550-C558 HydrophobicContact CG-CB 3.72Å; G554-C558 VanDerWaalsContact CA-SG 3.56Å; D555-C558 WeakPolarHBondContact O-CB 3.1Å; D555-C558 PolarHBondContact O-N 2.74Å; D555-C558 VanDerWaalsContact OD1-CB 3.3Å; D555-C558 WeakPolarHBondContact OD1-CB 3.34Å; D555-C558 PolarHBondContact OD1-N 3.36Å; C558-G560 VanDerWaalsContact C-N 3.26Å; C558-G560 PolarHBondContact O-N 3.27Å; C558-E561 PolarHBondContact O-N 3.46Å; C558-V562 VanDerWaalsContact O-CG2 3.26Å; C558-V562 WeakPolarHBondContact O-CG2 3.4Å; C558-V562 PolarHBondContact O-N 2.94Å
559	L	96.2	Very high	94.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.6	-21.1	-179.3	-86.4	-57.8	0	0	0	113.5	F547 D555 L556 N557 V562 A563 R573 L576 F577 V588	F547-L559 HydrophobicContact CZ-CD1 4.45Å; F547-L559 HydrophobicContact CZ-CD2 4.4Å; D555-L559 WeakPolarHBondContact O-CD2 3.48Å; D555-L559 PolarHBondContact O-N 3.12Å; D555-L559 VanDerWaalsContact O-N 3.1Å; L556-L559 PolarHBondContact O-N 3.42Å; N557-L559 PolarHBondContact O-N 3Å; L559-V562 HydrophobicContact CD1-CB 4.3Å; L559-V562 HydrophobicContact CD1-CG1 4.32Å; L559-A563 WeakPolarHBondContact O-CB 3.43Å; L559-A563 PolarHBondContact O-N 2.84Å; L559-R573 HydrophobicContact CB-CB 4.23Å; L559-L576 HydrophobicContact CD1-CD2 3.79Å; L559-L576 HydrophobicContact CD1-CG 3.87Å; L559-F577 HydrophobicContact CD2-CD2 4.19Å; L559-F577 HydrophobicContact CG-CB 4.33Å; L559-F577 HydrophobicContact CG-CD2 4.32Å; L559-V588 HydrophobicContact CD2-CB 4.04Å; L559-V588 HydrophobicContact CD2-CG1 4.5Å; L559-V588 HydrophobicContact CD2-CG2 4.41Å
560	G	95.6	Very high	94.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-51.1	168.1	0	0	0	0	0	112.1	L556 N557 C558 V562 A563 E564	L556-G560 PolarHBondContact O-N 3.13Å; L556-G560 VanDerWaalsContact O-N 3.13Å; N557-G560 WeakPolarHBondContact O-CA 3.01Å; N557-G560 PolarHBondContact O-N 3.03Å; C558-G560 VanDerWaalsContact C-N 3.26Å; C558-G560 PolarHBondContact O-N 3.27Å; G560-V562 VanDerWaalsContact C-N 3.26Å; G560-V562 PolarHBondContact O-N 2.78Å; G560-A563 WeakPolarHBondContact O-CB 3.33Å; G560-A563 PolarHBondContact O-N 3.42Å; G560-A563 VanDerWaalsContact O-N 3.12Å; G560-E564 PolarHBondContact O-N 3.28Å; G560-E564 VanDerWaalsContact O-N 3.14Å
561	E	96.2	Very high	94.4	Very high	76 Å²	76	34.8 Å²	34.8	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-60.2	-38.3	174.3	-67.4	179.7	-145.9	0	0	111.7	I546 Y550 N557 C558 E564 A565	I546-E561 HydrophobicContact CD1-CB 4.25Å; I546-E561 HydrophobicContact CG2-CB 4.01Å; Y550-E561 PolarHBondContact OH-OE1 3.25Å; N557-E561 PolarHBondContact O-N 2.64Å; N557-E561 VanDerWaalsContact O-N 3.17Å; C558-E561 PolarHBondContact O-N 3.46Å; E561-E564 PolarHBondContact O-N 2.95Å; E561-A565 VanDerWaalsContact O-CB 3.3Å; E561-A565 WeakPolarHBondContact O-CB 3.34Å; E561-A565 PolarHBondContact O-N 2.94Å
562	V	97	Very high	94.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-41.4	175.5	169.9	0	0	0	0	111.4	V543 I546 F547 C558 L559 G560 A565 V566 L576 F593	V543-V562 HydrophobicContact CG1-CG1 3.86Å; V543-V562 HydrophobicContact CG1-CG2 3.97Å; V543-V562 HydrophobicContact CG2-CG1 3.99Å; I546-V562 HydrophobicContact CB-CG2 4.28Å; I546-V562 HydrophobicContact CD1-CG2 4.32Å; I546-V562 HydrophobicContact CG2-CG2 3.92Å; F547-V562 HydrophobicContact CD2-CG2 4.35Å; F547-V562 HydrophobicContact CE2-CG2 3.86Å; F547-V562 HydrophobicContact CZ-CG2 4.38Å; C558-V562 VanDerWaalsContact O-CG2 3.26Å; C558-V562 WeakPolarHBondContact O-CG2 3.4Å; C558-V562 PolarHBondContact O-N 2.94Å; L559-V562 HydrophobicContact CD1-CB 4.3Å; L559-V562 HydrophobicContact CD1-CG1 4.32Å; G560-V562 VanDerWaalsContact C-N 3.26Å; G560-V562 PolarHBondContact O-N 2.78Å; V562-A565 PolarHBondContact O-N 3.48Å; V562-V566 WeakPolarHBondContact O-CG2 3.33Å; V562-V566 PolarHBondContact O-N 3.24Å; V562-L576 HydrophobicContact CG1-CD2 4.11Å; V562-F593 HydrophobicContact CG1-CD2 3.91Å; V562-F593 HydrophobicContact CG1-CE1 4.37Å; V562-F593 HydrophobicContact CG1-CE2 3.46Å; V562-F593 VanDerWaalsContact CG1-CE2 3.46Å; V562-F593 HydrophobicContact CG1-CZ 3.73Å
563	A	96.8	Very high	95	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-49.1	177.8	0	0	0	0	0	110.9	L559 G560 A565 V566 G567 L568 L576	L559-A563 WeakPolarHBondContact O-CB 3.43Å; L559-A563 PolarHBondContact O-N 2.84Å; G560-A563 WeakPolarHBondContact O-CB 3.33Å; G560-A563 PolarHBondContact O-N 3.42Å; G560-A563 VanDerWaalsContact O-N 3.12Å; A563-A565 VanDerWaalsContact C-N 3.34Å; A563-A565 PolarHBondContact O-N 2.94Å; A563-V566 VanDerWaalsContact O-CG2 3.24Å; A563-V566 WeakPolarHBondContact O-CG2 3.3Å; A563-V566 PolarHBondContact O-N 3.44Å; A563-G567 PolarHBondContact O-N 2.91Å; A563-L568 CarbonylContact C-O 3.54Å; A563-L568 VanDerWaalsContact C-O 3.27Å; A563-L568 HydrophobicContact CB-CB 4.23Å; A563-L568 WeakPolarHBondContact O-CA 3.24Å; A563-L568 WeakPolarHBondContact O-CB 3.44Å; A563-L568 PolarHBondContact O-N 2.74Å; A563-L576 HydrophobicContact CB-CD2 4.31Å
564	E	96	Very high	95.1	Very high	105 Å²	105	27.1 Å²	27.1	49%	0.491	15%	0.146	S	C	.	.	H	α-helix	trans	-62.9	-40.8	177.8	-65.8	-177.8	144.2	0	0	112	G560 E561 V566 G567 L568 Y570	G560-E564 PolarHBondContact O-N 3.28Å; G560-E564 VanDerWaalsContact O-N 3.14Å; E561-E564 PolarHBondContact O-N 2.95Å; E564-V566 PolarHBondContact O-N 3.48Å; E564-G567 PolarHBondContact O-N 3.01Å; E564-L568 WeakPolarHBondContact CA-O 3.38Å; E564-L568 PolarHBondContact N-O 3.31Å; E564-Y570 HydrophobicContact CG-CD2 4.44Å
565	A	95.3	Very high	95.4	Very high	16 Å²	16	27.3 Å²	27.3	13%	0.132	15%	0.147	C	C	.	.	H	α-helix	trans	-60.9	-29.2	178.4	0	0	0	0	0	113.1	R542 V543 I546 E561 V562 A563	R542-A565 PolarHBondContact NH1-O 3.01Å; R542-A565 PolarHBondContact NH2-O 3.32Å; V543-A565 HydrophobicContact CG2-CB 4.41Å; I546-A565 HydrophobicContact CD1-CB 3.55Å; E561-A565 VanDerWaalsContact O-CB 3.3Å; E561-A565 WeakPolarHBondContact O-CB 3.34Å; E561-A565 PolarHBondContact O-N 2.94Å; V562-A565 PolarHBondContact O-N 3.48Å; A563-A565 VanDerWaalsContact C-N 3.34Å; A563-A565 PolarHBondContact O-N 2.94Å
566	V	94.2	Very high	95.5	Very high	22 Å²	22	24.2 Å²	24.2	13%	0.133	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	7.6	175.1	-56.8	0	0	0	0	114	V543 V562 A563 E564 L568 F593 W597	V543-V566 HydrophobicContact CG2-CG1 3.66Å; V562-V566 WeakPolarHBondContact O-CG2 3.33Å; V562-V566 PolarHBondContact O-N 3.24Å; A563-V566 VanDerWaalsContact O-CG2 3.24Å; A563-V566 WeakPolarHBondContact O-CG2 3.3Å; A563-V566 PolarHBondContact O-N 3.44Å; E564-V566 PolarHBondContact O-N 3.48Å; V566-L568 HydrophobicContact CG2-CB 4.4Å; V566-L568 HydrophobicContact CG2-CD1 3.78Å; V566-L568 HydrophobicContact CG2-CG 4.03Å; V566-F593 HydrophobicContact CG1-CZ 4.02Å; V566-W597 HydrophobicContact CB-CH2 3.69Å; V566-W597 HydrophobicContact CB-CZ2 3.58Å; V566-W597 HydrophobicContact CB-CZ3 4.45Å; V566-W597 HydrophobicContact CG1-CH2 4.33Å; V566-W597 HydrophobicContact CG1-CZ2 3.96Å; V566-W597 HydrophobicContact CG2-CH2 3.5Å; V566-W597 VanDerWaalsContact CG2-CH2 3.5Å; V566-W597 HydrophobicContact CG2-CZ2 3.95Å; V566-W597 HydrophobicContact CG2-CZ3 3.94Å
567	G	93.7	Very high	95.7	Very high	41 Å²	41	23 Å²	23	42%	0.423	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	23.1	176.8	0	0	0	0	0	114.5	A563 E564	A563-G567 PolarHBondContact O-N 2.91Å; E564-G567 PolarHBondContact O-N 3.01Å
568	L	96.7	Very high	95.7	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.112	C	C	.	.			trans	-103.6	156	172.8	-66.3	169.4	0	0	0	110.5	A563 E564 V566 W597 E607 L610 I614	A563-L568 CarbonylContact C-O 3.54Å; A563-L568 VanDerWaalsContact C-O 3.27Å; A563-L568 HydrophobicContact CB-CB 4.23Å; A563-L568 WeakPolarHBondContact O-CA 3.24Å; A563-L568 WeakPolarHBondContact O-CB 3.44Å; A563-L568 PolarHBondContact O-N 2.74Å; E564-L568 WeakPolarHBondContact CA-O 3.38Å; E564-L568 PolarHBondContact N-O 3.31Å; V566-L568 HydrophobicContact CG2-CB 4.4Å; V566-L568 HydrophobicContact CG2-CD1 3.78Å; V566-L568 HydrophobicContact CG2-CG 4.03Å; L568-W597 HydrophobicContact CD1-CH2 4.06Å; L568-W597 HydrophobicContact CD1-CZ3 4.03Å; L568-E607 HydrophobicContact CD2-CG 3.89Å; L568-L610 HydrophobicContact CD2-CB 4.47Å; L568-I614 HydrophobicContact CD1-CD1 3.32Å
569	P	97.2	Very high	95.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.			trans	-64	144.5	177.7	-22.2	32.9	0	0	0	112.9	Y571 V572 L686 L689 H690	P569-Y571 VanDerWaalsContact C-N 3.34Å; P569-Y571 PolarHBondContact O-N 3.27Å; P569-V572 HydrophobicContact CB-CG2 4.21Å; P569-V572 HydrophobicContact CG-CG2 4.38Å; P569-V572 VanDerWaalsContact O-CB 3.25Å; P569-V572 WeakPolarHBondContact O-CB 3.46Å; P569-V572 WeakPolarHBondContact O-CG2 3.43Å; P569-V572 PolarHBondContact O-N 3.12Å; P569-L686 HydrophobicContact CG-CD2 4.48Å; P569-L689 HydrophobicContact CB-CB 4Å; P569-L689 HydrophobicContact CB-CD2 3.77Å; P569-L689 HydrophobicContact CB-CG 3.55Å; P569-L689 HydrophobicContact CG-CB 4.04Å; P569-L689 HydrophobicContact CG-CD2 3.9Å; P569-L689 HydrophobicContact CG-CG 3.99Å; P569-H690 VanDerWaalsContact N-CE1 3.34Å
570	Y	96.5	Very high	95.6	Very high	47 Å²	47	22.3 Å²	22.3	18%	0.184	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-50.6	-46.9	-178.5	178.3	-99	0	0	0	113.9	E564 V572 R573	E564-Y570 HydrophobicContact CG-CD2 4.44Å; Y570-V572 PolarHBondContact O-N 3.08Å; Y570-R573 WeakPolarHBondContact O-CB 3.49Å; Y570-R573 WeakPolarHBondContact O-CG 3.42Å; Y570-R573 PolarHBondContact O-N 3.04Å; Y570-R573 PolarHBondContact OH-NH1 3.32Å
571	Y	96.4	Very high	95.2	Very high	10 Å²	10	23.7 Å²	23.7	4%	0.039	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-69.8	4.7	-179.1	-66.3	-71.4	0	0	0	114.7	P569 I635 D638 H639 L689 L692	P569-Y571 VanDerWaalsContact C-N 3.34Å; P569-Y571 PolarHBondContact O-N 3.27Å; Y571-I635 HydrophobicContact CD1-CB 4.4Å; Y571-I635 HydrophobicContact CD1-CG1 3.65Å; Y571-I635 HydrophobicContact CD2-CG1 4.04Å; Y571-I635 HydrophobicContact CE1-CG1 4.19Å; Y571-I635 HydrophobicContact CG-CD1 4.43Å; Y571-I635 HydrophobicContact CG-CG1 3.56Å; Y571-D638 HydrophobicContact CE1-CB 4.41Å; Y571-H639 AromaticContact CZ-CD2 3.82Å; Y571-H639 PolarHBondContact OH-CD2 2.93Å; Y571-L689 HydrophobicContact CD2-CD1 4.49Å; Y571-L692 HydrophobicContact CD2-CB 4.41Å; Y571-L692 HydrophobicContact CD2-CD2 3.95Å; Y571-L692 HydrophobicContact CD2-CG 4.21Å; Y571-L692 HydrophobicContact CE2-CB 4.24Å; Y571-L692 HydrophobicContact CE2-CD2 3.96Å; Y571-L692 HydrophobicContact CE2-CG 3.83Å
572	V	96.5	Very high	94.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-78.1	-6.9	165.6	-178.1	0	0	0	0	111.6	P569 Y570 Q574 P575 L576 F611 I614 L689	P569-V572 HydrophobicContact CB-CG2 4.21Å; P569-V572 HydrophobicContact CG-CG2 4.38Å; P569-V572 VanDerWaalsContact O-CB 3.25Å; P569-V572 WeakPolarHBondContact O-CB 3.46Å; P569-V572 WeakPolarHBondContact O-CG2 3.43Å; P569-V572 PolarHBondContact O-N 3.12Å; Y570-V572 PolarHBondContact O-N 3.08Å; V572-Q574 VanDerWaalsContact C-N 3.32Å; V572-Q574 PolarHBondContact O-N 2.63Å; V572-P575 HydrophobicContact CG1-CB 4.35Å; V572-P575 WeakPolarHBondContact O-CD 3.43Å; V572-L576 VanDerWaalsContact O-CB 3.29Å; V572-L576 WeakPolarHBondContact O-CB 3.3Å; V572-L576 PolarHBondContact O-N 3Å; V572-F611 HydrophobicContact CG2-CD2 3.81Å; V572-F611 HydrophobicContact CG2-CE2 3.49Å; V572-F611 VanDerWaalsContact CG2-CE2 3.49Å; V572-I614 HydrophobicContact CG1-CD1 4.36Å; V572-I614 HydrophobicContact CG1-CG2 3.8Å; V572-L689 HydrophobicContact CG2-CD2 4.34Å
573	R	95.7	Very high	94	Very high	4 Å²	4	24 Å²	24	2%	0.015	14%	0.144	C	C	.	.	H	α-helix	trans	-51.4	-42.7	179.4	63.8	-175.7	-166	170.1	9.6	114.2	L556 N557 L559 Y570 L576 F577 D634 D638	L556-R573 HydrophobicContact CD1-CB 4.08Å; L556-R573 HydrophobicContact CD1-CG 3.85Å; L556-R573 HydrophobicContact CG-CG 4.07Å; N557-R573 PolarHBondContact OD1-NH1 3.17Å; L559-R573 HydrophobicContact CB-CB 4.23Å; Y570-R573 WeakPolarHBondContact O-CB 3.49Å; Y570-R573 WeakPolarHBondContact O-CG 3.42Å; Y570-R573 PolarHBondContact O-N 3.04Å; Y570-R573 PolarHBondContact OH-NH1 3.32Å; R573-L576 PolarHBondContact O-N 3.3Å; R573-F577 WeakPolarHBondContact O-CB 3.1Å; R573-F577 PolarHBondContact O-N 3.4Å; R573-D634 WeakPolarHBondContact CD-OD2 3.42Å; R573-D634 WeakPolarHBondContact CG-OD2 3.5Å; R573-D634 IonicContact CZ-OD1 2.92Å; R573-D634 IonicContact CZ-OD2 3.33Å; R573-D634 VanDerWaalsContact NE-CG 3.34Å; R573-D634 IonicContact NE-OD1 3.72Å; R573-D634 PolarHBondContact NE-OD1 2.85Å; R573-D634 VanDerWaalsContact NE-OD1 3.07Å; R573-D634 IonicContact NE-OD2 2.85Å; R573-D634 PolarHBondContact NE-OD2 3.44Å; R573-D634 IonicContact NH2-OD1 3.75Å; R573-D634 PolarHBondContact NH2-OD1 2.81Å; R573-D634 IonicContact NH2-OD2 2.84Å; R573-D638 IonicContact CZ-OD2 2.89Å; R573-D638 VanDerWaalsContact CZ-OD2 3.27Å; R573-D638 IonicContact NH1-OD1 2.75Å; R573-D638 IonicContact NH1-OD2 3.84Å; R573-D638 PolarHBondContact NH1-OD2 2.65Å; R573-D638 IonicContact NH2-OD1 2.63Å; R573-D638 PolarHBondContact NH2-OD1 2.81Å; R573-D638 IonicContact NH2-OD2 3.82Å; R573-D638 PolarHBondContact NH2-OD2 2.95Å; R573-D638 VanDerWaalsContact NH2-OD2 3.17Å
574	Q	95.1	Very high	93.1	Very high	62 Å²	62	28.4 Å²	28.4	29%	0.29	18%	0.181	S	C	.	.	H	α-helix	trans	-69.3	-49.6	179.3	-179.1	66.8	17	0	0	112.7	L556 V572 L576 F577 S578 D634	L556-Q574 HydrophobicContact CD1-CB 4.13Å; L556-Q574 VanDerWaalsContact CD1-OE1 3.24Å; V572-Q574 VanDerWaalsContact C-N 3.32Å; V572-Q574 PolarHBondContact O-N 2.63Å; Q574-L576 VanDerWaalsContact C-N 3.29Å; Q574-L576 PolarHBondContact O-N 3.47Å; Q574-F577 PolarHBondContact O-N 3.01Å; Q574-S578 PolarHBondContact O-N 3.44Å; Q574-D634 HydrophobicContact CB-CB 3.7Å; Q574-D634 HydrophobicContact CG-CB 4.39Å
575	P	95.7	Very high	92.4	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-52	-46	167.8	-25.9	27.5	0	0	0	113.5	V572 S578 V579 I614 L615 V631	V572-P575 HydrophobicContact CG1-CB 4.35Å; V572-P575 WeakPolarHBondContact O-CD 3.43Å; P575-S578 PolarHBondContact O-N 3.39Å; P575-V579 WeakPolarHBondContact O-CG1 3.36Å; P575-V579 PolarHBondContact O-N 2.9Å; P575-I614 HydrophobicContact CB-CG2 3.65Å; P575-L615 HydrophobicContact CB-CD1 4.08Å; P575-L615 HydrophobicContact CG-CD1 4.08Å; P575-L615 HydrophobicContact CG-CG 4.47Å; P575-V631 HydrophobicContact CG-CG2 3.42Å; P575-V631 VanDerWaalsContact CG-CG2 3.42Å
576	L	95.5	Very high	91.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-45.8	-177	-169.5	60	0	0	0	111.6	L559 V562 A563 V572 R573 Q574 S578 V579 C580 F593 I614	L559-L576 HydrophobicContact CD1-CD2 3.79Å; L559-L576 HydrophobicContact CD1-CG 3.87Å; V562-L576 HydrophobicContact CG1-CD2 4.11Å; A563-L576 HydrophobicContact CB-CD2 4.31Å; V572-L576 VanDerWaalsContact O-CB 3.29Å; V572-L576 WeakPolarHBondContact O-CB 3.3Å; V572-L576 PolarHBondContact O-N 3Å; R573-L576 PolarHBondContact O-N 3.3Å; Q574-L576 VanDerWaalsContact C-N 3.29Å; Q574-L576 PolarHBondContact O-N 3.47Å; L576-S578 VanDerWaalsContact C-N 3.29Å; L576-S578 PolarHBondContact O-N 3.26Å; L576-V579 HydrophobicContact CD1-CG1 4.31Å; L576-V579 WeakPolarHBondContact O-CG1 3.25Å; L576-V579 PolarHBondContact O-N 3.3Å; L576-C580 WeakPolarHBondContact O-CB 3.41Å; L576-C580 PolarHBondContact O-N 3.36Å; L576-C580 PolarHBondContact O-SG 3.36Å; L576-F593 HydrophobicContact CD1-CD2 4.42Å; L576-F593 HydrophobicContact CD1-CE2 4.1Å; L576-F593 HydrophobicContact CD2-CE2 4.09Å; L576-F593 HydrophobicContact CG-CE2 4.46Å; L576-I614 HydrophobicContact CD1-CD1 4.33Å
577	F	95	Very high	91.7	Very high	22 Å²	22	32.7 Å²	32.7	10%	0.096	21%	0.207	C	C	.	.	H	α-helix	trans	-57.3	-43.3	172.9	-175.5	-98	0	0	0	111.3	L556 L559 R573 Q574 G581 G582 E586 V588	L556-F577 HydrophobicContact CD1-CB 4.1Å; L556-F577 HydrophobicContact CD1-CG 4.45Å; L559-F577 HydrophobicContact CD2-CD2 4.19Å; L559-F577 HydrophobicContact CG-CB 4.33Å; L559-F577 HydrophobicContact CG-CD2 4.32Å; R573-F577 WeakPolarHBondContact O-CB 3.1Å; R573-F577 PolarHBondContact O-N 3.4Å; Q574-F577 PolarHBondContact O-N 3.01Å; F577-G581 PolarHBondContact O-N 3.11Å; F577-G582 VanDerWaalsContact CE1-O 3.28Å; F577-G582 WeakPolarHBondContact CE1-O 3.09Å; F577-G582 VanDerWaalsContact CZ-C 3.42Å; F577-G582 WeakPolarHBondContact CZ-O 3.48Å; F577-G582 WeakPolarHBondContact O-CA 3.43Å; F577-G582 PolarHBondContact O-N 3.13Å; F577-E586 WeakPolarHBondContact CZ-O 3.43Å; F577-V588 HydrophobicContact CD2-CG2 3.64Å; F577-V588 HydrophobicContact CE2-CG2 3.88Å; F577-V588 HydrophobicContact CG-CG2 4.33Å
578	S	93.7	Very high	91.7	Very high	23 Å²	23	30.8 Å²	30.8	16%	0.161	19%	0.187	C	C	.	.	H	α-helix	trans	-68.2	-44	179.8	-162.6	0	0	0	0	113.3	Q574 P575 L576 C580 G581 T583 K617	Q574-S578 PolarHBondContact O-N 3.44Å; P575-S578 PolarHBondContact O-N 3.39Å; L576-S578 VanDerWaalsContact C-N 3.29Å; L576-S578 PolarHBondContact O-N 3.26Å; S578-C580 VanDerWaalsContact C-N 3.32Å; S578-C580 PolarHBondContact O-N 3.23Å; S578-G581 PolarHBondContact O-N 3.28Å; S578-G581 VanDerWaalsContact O-N 3.15Å; S578-T583 WeakPolarHBondContact CA-OG1 3.37Å; S578-T583 PolarHBondContact OG-OG1 3.47Å; S578-T583 VanDerWaalsContact OG-OG1 3.07Å; S578-K617 WeakPolarHBondContact OG-CE 3.36Å; S578-K617 PolarHBondContact OG-NZ 3.07Å
579	V	93.8	Very high	91.6	Very high	25 Å²	25	32.7 Å²	32.7	15%	0.152	20%	0.199	C	C	.	.	H	α-helix	trans	-72.2	-26.6	-179.2	66.8	0	0	0	0	112.5	P575 L576 G581 L596 I614 K617	P575-V579 WeakPolarHBondContact O-CG1 3.36Å; P575-V579 PolarHBondContact O-N 2.9Å; L576-V579 HydrophobicContact CD1-CG1 4.31Å; L576-V579 WeakPolarHBondContact O-CG1 3.25Å; L576-V579 PolarHBondContact O-N 3.3Å; V579-G581 PolarHBondContact O-N 3Å; V579-L596 HydrophobicContact CB-CD2 4.17Å; V579-L596 HydrophobicContact CG1-CD2 3.4Å; V579-L596 VanDerWaalsContact CG1-CD2 3.4Å; V579-L596 HydrophobicContact CG2-CD1 3.88Å; V579-L596 HydrophobicContact CG2-CD2 3.89Å; V579-I614 HydrophobicContact CG1-CG2 4.17Å; V579-K617 HydrophobicContact CG2-CB 4.35Å
580	C	93.9	Very high	91.5	Very high	10 Å²	10	34.7 Å²	34.7	7%	0.068	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.7	170.9	-70.1	0	0	0	0	113.9	L576 S578 V588 L596	L576-C580 WeakPolarHBondContact O-CB 3.41Å; L576-C580 PolarHBondContact O-N 3.36Å; L576-C580 PolarHBondContact O-SG 3.36Å; S578-C580 VanDerWaalsContact C-N 3.32Å; S578-C580 PolarHBondContact O-N 3.23Å; C580-V588 HydrophobicContact CB-CB 4.37Å; C580-V588 HydrophobicContact CB-CG1 3.58Å; C580-V588 HydrophobicContact CB-CG2 3.79Å; C580-L596 VanDerWaalsContact SG-CD2 3.54Å
581	G	87.8	Confident	91.4	Very high	30 Å²	30	39.5 Å²	39.5	31%	0.309	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	6.1	178.9	0	0	0	0	0	115.3	F577 S578 V579 T583 A584 C585	F577-G581 PolarHBondContact O-N 3.11Å; S578-G581 PolarHBondContact O-N 3.28Å; S578-G581 VanDerWaalsContact O-N 3.15Å; V579-G581 PolarHBondContact O-N 3Å; G581-T583 PolarHBondContact O-N 3.25Å; G581-A584 PolarHBondContact O-N 3.37Å; G581-C585 PolarHBondContact O-N 3.18Å
582	G	84.8	Confident	91.2	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-30	-178.7	0	0	0	0	0	113.7	F577 A584 C585 E586	F577-G582 VanDerWaalsContact CE1-O 3.28Å; F577-G582 WeakPolarHBondContact CE1-O 3.09Å; F577-G582 VanDerWaalsContact CZ-C 3.42Å; F577-G582 WeakPolarHBondContact CZ-O 3.48Å; F577-G582 WeakPolarHBondContact O-CA 3.43Å; F577-G582 PolarHBondContact O-N 3.13Å; G582-A584 PolarHBondContact O-N 2.83Å; G582-A584 VanDerWaalsContact O-N 3.17Å; G582-C585 PolarHBondContact O-N 3.07Å; G582-E586 VanDerWaalsContact O-CA 3.28Å; G582-E586 WeakPolarHBondContact O-CA 3.39Å; G582-E586 PolarHBondContact O-N 3.1Å
583	T	82.9	Confident	91.2	Very high	83 Å²	83	42 Å²	42	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-26.2	176.2	-43.2	0	0	0	0	113	S578 G581	S578-T583 WeakPolarHBondContact CA-OG1 3.37Å; S578-T583 PolarHBondContact OG-OG1 3.47Å; S578-T583 VanDerWaalsContact OG-OG1 3.07Å; G581-T583 PolarHBondContact O-N 3.25Å
584	A	79.6	Confident	91.2	Very high	92 Å²	92	44.4 Å²	44.4	76%	0.76	26%	0.257	S	S	*	.	H	α-helix	trans	-95.2	-29.6	179.1	0	0	0	0	0	113.1	G581 G582	G581-A584 PolarHBondContact O-N 3.37Å; G582-A584 PolarHBondContact O-N 2.83Å; G582-A584 VanDerWaalsContact O-N 3.17Å
585	C	79.6	Confident	91.1	Very high	79 Å²	79	48.8 Å²	48.8	53%	0.534	28%	0.275	S	S	.	.	H	α-helix	trans	-103.8	-3.6	-175.1	-65.1	0	0	0	0	114.1	G581 G582 C587	G581-C585 PolarHBondContact O-N 3.18Å; G582-C585 PolarHBondContact O-N 3.07Å; C585-C587 WeakPolarHBondContact CB-O 3.17Å; C585-C587 PolarHBondContact O-N 3.18Å
586	E	84.7	Confident	91	Very high	125 Å²	125	49 Å²	49	58%	0.584	28%	0.276	S	S	*	.	S	Bend	trans	60.3	-12.3	-171.5	-60.6	177.1	-175.1	0	0	115.1	Y112 F577 G582	Y112-E586 WeakPolarHBondContact CE2-OE1 3.33Å; Y112-E586 PolarHBondContact OH-OE1 3.46Å; F577-E586 WeakPolarHBondContact CZ-O 3.43Å; G582-E586 VanDerWaalsContact O-CA 3.28Å; G582-E586 WeakPolarHBondContact O-CA 3.39Å; G582-E586 PolarHBondContact O-N 3.1Å
587	C	90.9	Very high	91	Very high	29 Å²	29	49.4 Å²	49.4	20%	0.196	28%	0.278	C	S	.	.	S	Bend	trans	-139.5	162.4	172.5	68.1	0	0	0	0	111.8	Q553 C585	Q553-C587 HydrophobicContact CB-CB 4.11Å; C585-C587 WeakPolarHBondContact CB-O 3.17Å; C585-C587 PolarHBondContact O-N 3.18Å
588	V	93.2	Very high	90.9	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.4	174.4	173.9	0	0	0	0	108.9	F547 G554 L559 F577 C580 N592	F547-V588 HydrophobicContact CE1-CG1 4.33Å; F547-V588 VanDerWaalsContact CE1-O 3.26Å; F547-V588 WeakPolarHBondContact CE1-O 3.33Å; F547-V588 HydrophobicContact CZ-CG1 4.15Å; G554-V588 PolarHBondContact N-O 2.95Å; G554-V588 PolarHBondContact O-N 2.71Å; L559-V588 HydrophobicContact CD2-CB 4.04Å; L559-V588 HydrophobicContact CD2-CG1 4.5Å; L559-V588 HydrophobicContact CD2-CG2 4.41Å; F577-V588 HydrophobicContact CD2-CG2 3.64Å; F577-V588 HydrophobicContact CE2-CG2 3.88Å; F577-V588 HydrophobicContact CG-CG2 4.33Å; C580-V588 HydrophobicContact CB-CB 4.37Å; C580-V588 HydrophobicContact CB-CG1 3.58Å; C580-V588 HydrophobicContact CB-CG2 3.79Å; V588-N592 HydrophobicContact CG1-CB 4.23Å
589	T	94.2	Very high	90.9	Very high	41 Å²	41	56.2 Å²	56.2	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	158.4	172.5	64.6	0	0	0	0	110.7	Q591 N592 F593	T589-Q591 PolarHBondContact O-N 3.24Å; T589-N592 WeakPolarHBondContact O-CB 3.18Å; T589-N592 PolarHBondContact O-N 3.19Å; T589-N592 VanDerWaalsContact O-N 3.09Å; T589-N592 PolarHBondContact OG1-N 3.14Å; T589-F593 PolarHBondContact O-N 3.39Å
590	F	95.1	Very high	90.8	Very high	43 Å²	43	55.2 Å²	55.2	19%	0.189	29%	0.293	C	S	.	.	H	α-helix	trans	-53.2	-38.5	172.6	174.5	-104.8	0	0	0	112.4	L540 V543 F547 N592 F593 E594	L540-F590 WeakPolarHBondContact O-CE2 3.04Å; V543-F590 HydrophobicContact CB-CE2 4.43Å; V543-F590 HydrophobicContact CG1-CD2 4.09Å; V543-F590 HydrophobicContact CG1-CE2 4.16Å; F547-F590 HydrophobicContact CB-CB 4.08Å; F547-F590 HydrophobicContact CD1-CB 4.49Å; F547-F590 HydrophobicContact CD2-CB 3.91Å; F547-F590 AromaticContact CD2-CD2 3.87Å; F547-F590 HydrophobicContact CD2-CD2 3.87Å; F547-F590 HydrophobicContact CD2-CG 4.4Å; F547-F590 HydrophobicContact CE2-CB 4.49Å; F547-F590 HydrophobicContact CE2-CD2 4.39Å; F547-F590 HydrophobicContact CG-CB 3.9Å; F590-N592 VanDerWaalsContact C-N 3.35Å; F590-N592 PolarHBondContact O-N 2.96Å; F590-F593 PolarHBondContact O-N 3.39Å; F590-E594 HydrophobicContact CE1-CB 4.25Å; F590-E594 WeakPolarHBondContact CE1-OE2 3.27Å; F590-E594 HydrophobicContact CZ-CB 4.24Å; F590-E594 WeakPolarHBondContact O-CB 3.32Å; F590-E594 PolarHBondContact O-N 3.4Å
591	Q	94.4	Very high	90.7	Very high	148 Å²	148	55.7 Å²	55.7	69%	0.692	30%	0.295	S	S	*	.	H	α-helix	trans	-64	-38.3	179.6	-65.5	177.1	0.6	0	0	112.5	T589 K595	T589-Q591 PolarHBondContact O-N 3.24Å; Q591-K595 VanDerWaalsContact O-CB 3.31Å; Q591-K595 WeakPolarHBondContact O-CB 3.23Å; Q591-K595 PolarHBondContact O-N 2.73Å
592	N	93.4	Very high	90.6	Very high	63 Å²	63	61.2 Å²	61.2	34%	0.337	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-45.4	176	-69.8	-7.3	0	0	0	110.7	V588 T589 F590 L596	V588-N592 HydrophobicContact CG1-CB 4.23Å; T589-N592 WeakPolarHBondContact O-CB 3.18Å; T589-N592 PolarHBondContact O-N 3.19Å; T589-N592 VanDerWaalsContact O-N 3.09Å; T589-N592 PolarHBondContact OG1-N 3.14Å; F590-N592 VanDerWaalsContact C-N 3.35Å; F590-N592 PolarHBondContact O-N 2.96Å; N592-L596 PolarHBondContact O-N 3.37Å
593	F	95.4	Very high	90.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-51.1	175.9	176.9	-90.5	0	0	0	111.5	L540 V543 F547 V562 V566 L576 T589 F590 K595 L596 W597	L540-F593 HydrophobicContact CD2-CD1 4.41Å; L540-F593 HydrophobicContact CD2-CE1 4.12Å; V543-F593 HydrophobicContact CB-CE1 4.16Å; V543-F593 HydrophobicContact CG1-CD1 3.62Å; V543-F593 HydrophobicContact CG1-CE1 3.65Å; V543-F593 HydrophobicContact CG1-CG 4.3Å; V543-F593 HydrophobicContact CG1-CZ 4.33Å; V543-F593 HydrophobicContact CG2-CE1 4Å; V543-F593 HydrophobicContact CG2-CZ 4.27Å; F547-F593 HydrophobicContact CE2-CB 4.08Å; F547-F593 HydrophobicContact CE2-CG 4.33Å; F547-F593 HydrophobicContact CZ-CB 4.18Å; V562-F593 HydrophobicContact CG1-CD2 3.91Å; V562-F593 HydrophobicContact CG1-CE1 4.37Å; V562-F593 HydrophobicContact CG1-CE2 3.46Å; V562-F593 VanDerWaalsContact CG1-CE2 3.46Å; V562-F593 HydrophobicContact CG1-CZ 3.73Å; V566-F593 HydrophobicContact CG1-CZ 4.02Å; L576-F593 HydrophobicContact CD1-CD2 4.42Å; L576-F593 HydrophobicContact CD1-CE2 4.1Å; L576-F593 HydrophobicContact CD2-CE2 4.09Å; L576-F593 HydrophobicContact CG-CE2 4.46Å; T589-F593 PolarHBondContact O-N 3.39Å; F590-F593 PolarHBondContact O-N 3.39Å; F593-K595 VanDerWaalsContact C-N 3.31Å; F593-K595 PolarHBondContact O-N 2.92Å; F593-L596 PolarHBondContact O-N 3.44Å; F593-L596 VanDerWaalsContact O-N 3.12Å; F593-W597 HydrophobicContact CD1-CB 4.22Å; F593-W597 HydrophobicContact CE1-CB 3.77Å; F593-W597 HydrophobicContact CE1-CD2 4.2Å; F593-W597 AromaticContact CE1-CG 3.82Å; F593-W597 HydrophobicContact CE1-CG 3.82Å; F593-W597 HydrophobicContact CE2-CE3 4.1Å; F593-W597 HydrophobicContact CZ-CB 4.01Å; F593-W597 AromaticContact CZ-CD2 3.73Å; F593-W597 HydrophobicContact CZ-CD2 3.73Å; F593-W597 AromaticContact CZ-CE3 3.74Å; F593-W597 HydrophobicContact CZ-CE3 3.74Å; F593-W597 AromaticContact CZ-CG 3.85Å; F593-W597 HydrophobicContact CZ-CG 3.85Å; F593-W597 VanDerWaalsContact O-CB 3.3Å; F593-W597 WeakPolarHBondContact O-CB 3.26Å; F593-W597 PolarHBondContact O-N 3.3Å
594	E	95.5	Very high	90.9	Very high	53 Å²	53	60.9 Å²	60.9	25%	0.248	31%	0.31	C	S	.	.	H	α-helix	trans	-56.4	-46	-178.7	179.3	179.3	-162.4	0	0	111.4	L540 F590 L596 W597 R598	L540-E594 HydrophobicContact CD1-CG 4.29Å; L540-E594 HydrophobicContact CD2-CB 4.33Å; L540-E594 HydrophobicContact CD2-CG 4.15Å; F590-E594 HydrophobicContact CE1-CB 4.25Å; F590-E594 WeakPolarHBondContact CE1-OE2 3.27Å; F590-E594 HydrophobicContact CZ-CB 4.24Å; F590-E594 WeakPolarHBondContact O-CB 3.32Å; F590-E594 PolarHBondContact O-N 3.4Å; E594-L596 VanDerWaalsContact C-N 3.34Å; E594-L596 PolarHBondContact O-N 2.96Å; E594-W597 PolarHBondContact O-N 3.04Å; E594-R598 HydrophobicContact CG-CG 4.36Å; E594-R598 WeakPolarHBondContact O-CB 3.18Å; E594-R598 WeakPolarHBondContact O-CG 3.17Å; E594-R598 PolarHBondContact O-N 2.76Å; E594-R598 IonicContact OE1-CZ 3.56Å; E594-R598 VanDerWaalsContact OE1-CZ 3.27Å; E594-R598 IonicContact OE1-NE 3.83Å; E594-R598 PolarHBondContact OE1-NE 3.34Å; E594-R598 IonicContact OE1-NH2 3.49Å; E594-R598 PolarHBondContact OE1-NH2 3.19Å
595	K	94.8	Very high	91.3	Very high	155 Å²	155	58.2 Å²	58.2	67%	0.674	28%	0.282	S	S	*	.	H	α-helix	trans	-59.2	-44.7	177.6	179.6	178.1	179	-179.7	0	112	Q591 F593 R599	Q591-K595 VanDerWaalsContact O-CB 3.31Å; Q591-K595 WeakPolarHBondContact O-CB 3.23Å; Q591-K595 PolarHBondContact O-N 2.73Å; F593-K595 VanDerWaalsContact C-N 3.31Å; F593-K595 PolarHBondContact O-N 2.92Å; K595-R599 WeakPolarHBondContact O-CB 3.27Å; K595-R599 PolarHBondContact O-N 3.1Å
596	L	93.6	Very high	91.9	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-49.2	176.8	175.5	69.3	0	0	0	111	V579 C580 N592 F593 E594 R598 R599 I600	V579-L596 HydrophobicContact CB-CD2 4.17Å; V579-L596 HydrophobicContact CG1-CD2 3.4Å; V579-L596 VanDerWaalsContact CG1-CD2 3.4Å; V579-L596 HydrophobicContact CG2-CD1 3.88Å; V579-L596 HydrophobicContact CG2-CD2 3.89Å; C580-L596 VanDerWaalsContact SG-CD2 3.54Å; N592-L596 PolarHBondContact O-N 3.37Å; F593-L596 PolarHBondContact O-N 3.44Å; F593-L596 VanDerWaalsContact O-N 3.12Å; E594-L596 VanDerWaalsContact C-N 3.34Å; E594-L596 PolarHBondContact O-N 2.96Å; L596-R598 PolarHBondContact O-N 2.93Å; L596-R599 WeakPolarHBondContact O-CB 3.48Å; L596-R599 PolarHBondContact O-N 3.34Å; L596-R599 VanDerWaalsContact O-N 3.15Å; L596-I600 HydrophobicContact CD1-CG2 3.98Å; L596-I600 HydrophobicContact CG-CG2 4.49Å; L596-I600 WeakPolarHBondContact O-CG1 3.43Å; L596-I600 PolarHBondContact O-N 3.07Å
597	W	94.5	Very high	92.4	Very high	9 Å²	9	53.2 Å²	53.2	3%	0.034	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-43.9	-173.1	-165.8	-109.9	0	0	0	111.5	L540 V566 L568 F593 E594 I600 N601 L610 I614	L540-W597 HydrophobicContact CD2-CB 4.31Å; L540-W597 HydrophobicContact CD2-CG 4.33Å; V566-W597 HydrophobicContact CB-CH2 3.69Å; V566-W597 HydrophobicContact CB-CZ2 3.58Å; V566-W597 HydrophobicContact CB-CZ3 4.45Å; V566-W597 HydrophobicContact CG1-CH2 4.33Å; V566-W597 HydrophobicContact CG1-CZ2 3.96Å; V566-W597 HydrophobicContact CG2-CH2 3.5Å; V566-W597 VanDerWaalsContact CG2-CH2 3.5Å; V566-W597 HydrophobicContact CG2-CZ2 3.95Å; V566-W597 HydrophobicContact CG2-CZ3 3.94Å; L568-W597 HydrophobicContact CD1-CH2 4.06Å; L568-W597 HydrophobicContact CD1-CZ3 4.03Å; F593-W597 HydrophobicContact CD1-CB 4.22Å; F593-W597 HydrophobicContact CE1-CB 3.77Å; F593-W597 HydrophobicContact CE1-CD2 4.2Å; F593-W597 AromaticContact CE1-CG 3.82Å; F593-W597 HydrophobicContact CE1-CG 3.82Å; F593-W597 HydrophobicContact CE2-CE3 4.1Å; F593-W597 HydrophobicContact CZ-CB 4.01Å; F593-W597 AromaticContact CZ-CD2 3.73Å; F593-W597 HydrophobicContact CZ-CD2 3.73Å; F593-W597 AromaticContact CZ-CE3 3.74Å; F593-W597 HydrophobicContact CZ-CE3 3.74Å; F593-W597 AromaticContact CZ-CG 3.85Å; F593-W597 HydrophobicContact CZ-CG 3.85Å; F593-W597 VanDerWaalsContact O-CB 3.3Å; F593-W597 WeakPolarHBondContact O-CB 3.26Å; F593-W597 PolarHBondContact O-N 3.3Å; E594-W597 PolarHBondContact O-N 3.04Å; W597-I600 HydrophobicContact CE3-CD1 3.73Å; W597-I600 HydrophobicContact CE3-CG1 4.38Å; W597-I600 HydrophobicContact CZ3-CD1 3.9Å; W597-I600 WeakPolarHBondContact O-CG1 3.5Å; W597-N601 PolarHBondContact NE1-ND2 2.71Å; W597-N601 VanDerWaalsContact O-CB 3.31Å; W597-N601 WeakPolarHBondContact O-CB 3.31Å; W597-N601 PolarHBondContact O-N 3.09Å; W597-N601 VanDerWaalsContact O-N 3.08Å; W597-N601 PolarHBondContact O-ND2 2.82Å; W597-L610 HydrophobicContact CH2-CD1 3.96Å; W597-L610 HydrophobicContact CH2-CD2 4.47Å; W597-L610 HydrophobicContact CZ2-CD1 4.32Å; W597-I614 HydrophobicContact CZ3-CD1 4.48Å
598	R	93.6	Very high	92.7	Very high	75 Å²	75	52 Å²	52	28%	0.283	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-48.9	173.4	-69.6	-178	-175.1	-72.7	2.4	111	E537 L540 E594 L596 I600 N601 E602	E537-R598 IonicContact OE1-CZ 3.8Å; E537-R598 IonicContact OE1-NH1 3.66Å; E537-R598 PolarHBondContact OE1-NH1 2.9Å; E537-R598 IonicContact OE1-NH2 3.01Å; E537-R598 PolarHBondContact OE1-NH2 3.04Å; E537-R598 IonicContact OE2-CZ 3.21Å; E537-R598 IonicContact OE2-NH1 2.79Å; E537-R598 IonicContact OE2-NH2 3.27Å; E537-R598 PolarHBondContact OE2-NH2 2.83Å; L540-R598 HydrophobicContact CD1-CG 4.19Å; E594-R598 HydrophobicContact CG-CG 4.36Å; E594-R598 WeakPolarHBondContact O-CB 3.18Å; E594-R598 WeakPolarHBondContact O-CG 3.17Å; E594-R598 PolarHBondContact O-N 2.76Å; E594-R598 IonicContact OE1-CZ 3.56Å; E594-R598 VanDerWaalsContact OE1-CZ 3.27Å; E594-R598 IonicContact OE1-NE 3.83Å; E594-R598 PolarHBondContact OE1-NE 3.34Å; E594-R598 IonicContact OE1-NH2 3.49Å; E594-R598 PolarHBondContact OE1-NH2 3.19Å; L596-R598 PolarHBondContact O-N 2.93Å; R598-I600 PolarHBondContact O-N 3.42Å; R598-N601 PolarHBondContact O-N 2.74Å; R598-E602 WeakPolarHBondContact O-CG 3.33Å; R598-E602 PolarHBondContact O-N 3.07Å
599	R	92.9	Very high	92.8	Very high	112 Å²	112	52 Å²	52	42%	0.423	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-45.7	-179.5	-172.7	-179.8	77.9	-150.2	1.1	113	K595 L596 D618	K595-R599 WeakPolarHBondContact O-CB 3.27Å; K595-R599 PolarHBondContact O-N 3.1Å; L596-R599 WeakPolarHBondContact O-CB 3.48Å; L596-R599 PolarHBondContact O-N 3.34Å; L596-R599 VanDerWaalsContact O-N 3.15Å; R599-D618 IonicContact CZ-OD2 2.91Å; R599-D618 IonicContact NE-OD2 2.65Å; R599-D618 PolarHBondContact NE-OD2 2.91Å; R599-D618 IonicContact NH2-OD2 3.57Å; R599-D618 PolarHBondContact NH2-OD2 3.26Å
600	I	92	Very high	92.9	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-74.1	-32.9	-178.3	65.1	179.3	0	0	0	112.2	L596 W597 R598 E602 V603 R604 L610 R613 I614	L596-I600 HydrophobicContact CD1-CG2 3.98Å; L596-I600 HydrophobicContact CG-CG2 4.49Å; L596-I600 WeakPolarHBondContact O-CG1 3.43Å; L596-I600 PolarHBondContact O-N 3.07Å; W597-I600 HydrophobicContact CE3-CD1 3.73Å; W597-I600 HydrophobicContact CE3-CG1 4.38Å; W597-I600 HydrophobicContact CZ3-CD1 3.9Å; W597-I600 WeakPolarHBondContact O-CG1 3.5Å; R598-I600 PolarHBondContact O-N 3.42Å; I600-E602 VanDerWaalsContact C-N 3.26Å; I600-E602 PolarHBondContact O-N 3.14Å; I600-V603 PolarHBondContact O-N 3.5Å; I600-R604 WeakPolarHBondContact O-CB 3.47Å; I600-R604 PolarHBondContact O-N 3.39Å; I600-L610 HydrophobicContact CB-CD2 4.37Å; I600-L610 HydrophobicContact CD1-CD2 3.8Å; I600-L610 HydrophobicContact CG1-CD2 3.82Å; I600-R613 HydrophobicContact CG2-CB 4.38Å; I600-I614 HydrophobicContact CD1-CG1 4.37Å
601	N	90.9	Very high	93	Very high	19 Å²	19	48.5 Å²	48.5	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-73.2	-14.9	178.8	-84.6	-90.8	0	0	0	113.9	L536 W597 R598 V603 R604 H605	L536-N601 HydrophobicContact CD1-CB 4.14Å; W597-N601 PolarHBondContact NE1-ND2 2.71Å; W597-N601 VanDerWaalsContact O-CB 3.31Å; W597-N601 WeakPolarHBondContact O-CB 3.31Å; W597-N601 PolarHBondContact O-N 3.09Å; W597-N601 VanDerWaalsContact O-N 3.08Å; W597-N601 PolarHBondContact O-ND2 2.82Å; R598-N601 PolarHBondContact O-N 2.74Å; N601-V603 PolarHBondContact O-N 3.1Å; N601-R604 WeakPolarHBondContact CA-O 3.49Å; N601-H605 PolarHBondContact O-CE1 3.07Å; N601-H605 PolarHBondContact O-ND1 3.27Å; N601-H605 VanDerWaalsContact O-ND1 3.16Å
602	E	87.5	Confident	93.1	Very high	146 Å²	146	41.5 Å²	41.5	68%	0.682	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.8	173	-77	170.6	-164.3	0	0	112.3	R598 I600	R598-E602 WeakPolarHBondContact O-CG 3.33Å; R598-E602 PolarHBondContact O-N 3.07Å; I600-E602 VanDerWaalsContact C-N 3.26Å; I600-E602 PolarHBondContact O-N 3.14Å
603	V	85.4	Confident	93.1	Very high	73 Å²	73	40.2 Å²	40.2	44%	0.442	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-27.6	-174.2	-173	0	0	0	0	112.5	Y527 I600 N601	Y527-V603 WeakPolarHBondContact CB-O 3.42Å; Y527-V603 HydrophobicContact CD2-CG1 4.26Å; I600-V603 PolarHBondContact O-N 3.5Å; N601-V603 PolarHBondContact O-N 3.1Å
604	R	87.5	Confident	93.2	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.011	18%	0.184	C	C	.	.			trans	-115.4	130.6	-174.2	-50.2	-50.2	175.3	136.5	-21.5	109.9	Y527 I600 N601 A609 L610 R613 D621	Y527-R604 VanDerWaalsContact CE1-CZ 3.47Å; I600-R604 WeakPolarHBondContact O-CB 3.47Å; I600-R604 PolarHBondContact O-N 3.39Å; N601-R604 WeakPolarHBondContact CA-O 3.49Å; R604-A609 HydrophobicContact CB-CB 3.91Å; R604-A609 HydrophobicContact CG-CB 4.22Å; R604-L610 HydrophobicContact CB-CD2 3.97Å; R604-L610 HydrophobicContact CB-CG 4.28Å; R604-R613 HydrophobicContact CG-CG 3.69Å; R604-R613 VanDerWaalsContact NH2-CZ 3.31Å; R604-D621 IonicContact CZ-OD1 3.86Å; R604-D621 IonicContact CZ-OD2 3.15Å; R604-D621 IonicContact NH1-OD2 3.8Å; R604-D621 IonicContact NH2-OD1 3.78Å; R604-D621 PolarHBondContact NH2-OD1 3.32Å; R604-D621 IonicContact NH2-OD2 2.81Å; R604-D621 PolarHBondContact NH2-OD2 3.21Å
605	H	88.8	Confident	93.2	Very high	36 Å²	36	38 Å²	38	17%	0.167	17%	0.173	C	C	.	.			trans	-127.9	-16.8	-168.2	-49.5	-56.4	0	0	0	113.4	Y527 G528 K529 P530 N531 N601	Y527-H605 PolarHBondContact O-N 2.78Å; G528-H605 PolarHBondContact O-CD2 3.31Å; K529-H605 WeakPolarHBondContact O-CB 3.24Å; P530-H605 VanDerWaalsContact CA-CG 3.49Å; N531-H605 PolarHBondContact ND2-O 3.31Å; N531-H605 PolarHBondContact OD1-O 3.27Å; N601-H605 PolarHBondContact O-CE1 3.07Å; N601-H605 PolarHBondContact O-ND1 3.27Å; N601-H605 VanDerWaalsContact O-ND1 3.16Å
606	D	92.2	Very high	93.2	Very high	36 Å²	36	30.6 Å²	30.6	19%	0.193	14%	0.141	C	C	.	.	S	Bend	trans	-111.8	162.4	173.9	68.6	-16.8	0	0	0	113.1	Y527 A608 A609 L610 R681	Y527-D606 VanDerWaalsContact C-OD1 3.29Å; Y527-D606 PolarHBondContact O-N 3.19Å; D606-A608 PolarHBondContact O-N 3.05Å; D606-A609 PolarHBondContact O-N 3.2Å; D606-A609 WeakPolarHBondContact OD1-CB 3.44Å; D606-A609 PolarHBondContact OD1-N 2.94Å; D606-L610 WeakPolarHBondContact O-CG 3.27Å; D606-L610 PolarHBondContact O-N 3.5Å; D606-R681 IonicContact OD1-NH2 3.37Å; D606-R681 PolarHBondContact OD1-NH2 3.37Å; D606-R681 IonicContact OD2-CZ 3.29Å; D606-R681 IonicContact OD2-NE 2.92Å; D606-R681 PolarHBondContact OD2-NE 3.18Å; D606-R681 IonicContact OD2-NH2 3.44Å; D606-R681 PolarHBondContact OD2-NH2 3.33Å
607	E	95.2	Very high	93.1	Very high	64 Å²	64	34.5 Å²	34.5	30%	0.299	16%	0.157	S	C	.	.	H	α-helix	trans	-55.4	-47.7	-174.5	-167.1	-169.8	176.3	0	0	112.3	L568 A609 L610 F611 L686 H690	L568-E607 HydrophobicContact CD2-CG 3.89Å; E607-A609 VanDerWaalsContact C-N 3.33Å; E607-A609 PolarHBondContact O-N 3.22Å; E607-L610 PolarHBondContact O-N 3.13Å; E607-F611 VanDerWaalsContact O-CB 3.3Å; E607-F611 WeakPolarHBondContact O-CB 3.39Å; E607-F611 PolarHBondContact O-N 3.23Å; E607-L686 HydrophobicContact CB-CD1 4.39Å; E607-L686 HydrophobicContact CG-CD1 4.01Å; E607-H690 IonicContact OE1-CD2 2.7Å; E607-H690 IonicContact OE1-CE1 3.56Å; E607-H690 IonicContact OE1-NE2 3.07Å; E607-H690 PolarHBondContact OE1-NE2 2.63Å
608	A	96.3	Very high	92.9	Very high	4 Å²	4	36 Å²	36	3%	0.033	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-42.5	-179.9	0	0	0	0	0	112.3	D606 V612 V677 L680 R681 L686	D606-A608 PolarHBondContact O-N 3.05Å; A608-V612 WeakPolarHBondContact O-CG2 3.5Å; A608-V612 PolarHBondContact O-N 2.84Å; A608-V612 VanDerWaalsContact O-N 3.15Å; A608-V677 HydrophobicContact CB-CG1 4.1Å; A608-L680 HydrophobicContact CB-CD2 4.18Å; A608-L680 HydrophobicContact CB-CG 4.39Å; A608-R681 HydrophobicContact CB-CB 3.92Å; A608-L686 HydrophobicContact CB-CD1 4.14Å
609	A	95.5	Very high	92.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-72.7	-35.7	-179.4	0	0	0	0	0	112.4	R604 D606 E607 R613 V677	R604-A609 HydrophobicContact CB-CB 3.91Å; R604-A609 HydrophobicContact CG-CB 4.22Å; D606-A609 PolarHBondContact O-N 3.2Å; D606-A609 WeakPolarHBondContact OD1-CB 3.44Å; D606-A609 PolarHBondContact OD1-N 2.94Å; E607-A609 VanDerWaalsContact C-N 3.33Å; E607-A609 PolarHBondContact O-N 3.22Å; A609-R613 WeakPolarHBondContact O-CG 3.49Å; A609-R613 PolarHBondContact O-N 3.47Å; A609-V677 HydrophobicContact CB-CG1 3.81Å
610	L	95.4	Very high	92.7	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.052	16%	0.16	C	C	.	.	H	α-helix	trans	-65.3	-45.5	173.2	-70.4	168.1	0	0	0	111.2	L568 W597 I600 R604 D606 E607 V612 R613 I614	L568-L610 HydrophobicContact CD2-CB 4.47Å; W597-L610 HydrophobicContact CH2-CD1 3.96Å; W597-L610 HydrophobicContact CH2-CD2 4.47Å; W597-L610 HydrophobicContact CZ2-CD1 4.32Å; I600-L610 HydrophobicContact CB-CD2 4.37Å; I600-L610 HydrophobicContact CD1-CD2 3.8Å; I600-L610 HydrophobicContact CG1-CD2 3.82Å; R604-L610 HydrophobicContact CB-CD2 3.97Å; R604-L610 HydrophobicContact CB-CG 4.28Å; D606-L610 WeakPolarHBondContact O-CG 3.27Å; D606-L610 PolarHBondContact O-N 3.5Å; E607-L610 PolarHBondContact O-N 3.13Å; L610-V612 PolarHBondContact O-N 3.43Å; L610-R613 PolarHBondContact O-N 2.86Å; L610-R613 VanDerWaalsContact O-N 3.12Å; L610-I614 WeakPolarHBondContact O-CG1 3.47Å; L610-I614 PolarHBondContact O-N 2.88Å
611	F	97.3	Very high	92.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.9	-47.8	177.4	-174.8	-90	0	0	0	111.8	V572 E607 R613 I614 L615 L623 F628 L680 F685 L686 L689	V572-F611 HydrophobicContact CG2-CD2 3.81Å; V572-F611 HydrophobicContact CG2-CE2 3.49Å; V572-F611 VanDerWaalsContact CG2-CE2 3.49Å; E607-F611 VanDerWaalsContact O-CB 3.3Å; E607-F611 WeakPolarHBondContact O-CB 3.39Å; E607-F611 PolarHBondContact O-N 3.23Å; F611-R613 VanDerWaalsContact C-N 3.33Å; F611-R613 PolarHBondContact O-N 3.39Å; F611-I614 PolarHBondContact O-N 3Å; F611-L615 HydrophobicContact CD1-CD1 4.1Å; F611-L615 HydrophobicContact CD1-CD2 4.16Å; F611-L615 HydrophobicContact CD2-CD1 4.16Å; F611-L615 HydrophobicContact CE1-CD1 3.81Å; F611-L615 HydrophobicContact CE1-CD2 3.34Å; F611-L615 HydrophobicContact CE1-CG 4.19Å; F611-L615 HydrophobicContact CE2-CD1 3.86Å; F611-L615 HydrophobicContact CG-CD1 4.26Å; F611-L615 HydrophobicContact CZ-CD1 3.65Å; F611-L615 HydrophobicContact CZ-CD2 3.58Å; F611-L615 HydrophobicContact CZ-CG 4.28Å; F611-L615 WeakPolarHBondContact O-CD1 3.47Å; F611-L615 PolarHBondContact O-N 3.31Å; F611-L623 HydrophobicContact CD1-CD1 4.24Å; F611-L623 HydrophobicContact CE1-CD1 4.09Å; F611-F628 HydrophobicContact CE1-CE1 4.32Å; F611-L680 HydrophobicContact CB-CD2 4.38Å; F611-L680 HydrophobicContact CD1-CD2 3.66Å; F611-L680 HydrophobicContact CE1-CD2 4.37Å; F611-L680 HydrophobicContact CG-CD2 4.34Å; F611-F685 AromaticContact CE1-CE1 3.98Å; F611-F685 HydrophobicContact CE1-CE1 3.98Å; F611-F685 HydrophobicContact CE2-CE1 4.39Å; F611-F685 AromaticContact CZ-CE1 3.63Å; F611-F685 HydrophobicContact CZ-CE1 3.63Å; F611-F685 HydrophobicContact CZ-CZ 4.42Å; F611-L686 HydrophobicContact CB-CD2 4.22Å; F611-L686 HydrophobicContact CD1-CD2 4.18Å; F611-L686 HydrophobicContact CD2-CD2 3.55Å; F611-L686 HydrophobicContact CE1-CD2 4.45Å; F611-L686 HydrophobicContact CE2-CD2 3.86Å; F611-L686 HydrophobicContact CG-CD2 3.73Å; F611-L686 HydrophobicContact CZ-CD2 4.33Å; F611-L689 HydrophobicContact CE2-CD2 3.87Å; F611-L689 HydrophobicContact CZ-CD2 4.25Å
612	V	96.5	Very high	92.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.1	-41.8	176.9	172.5	0	0	0	0	111.7	A608 L610 T616 L623 V677 L680	A608-V612 WeakPolarHBondContact O-CG2 3.5Å; A608-V612 PolarHBondContact O-N 2.84Å; A608-V612 VanDerWaalsContact O-N 3.15Å; L610-V612 PolarHBondContact O-N 3.43Å; V612-T616 HydrophobicContact CG1-CG2 4.34Å; V612-T616 WeakPolarHBondContact O-CB 3.37Å; V612-T616 WeakPolarHBondContact O-CG2 3.44Å; V612-T616 PolarHBondContact O-N 3.26Å; V612-T616 VanDerWaalsContact O-N 3.12Å; V612-T616 PolarHBondContact O-OG1 3.48Å; V612-L623 HydrophobicContact CG1-CD2 4.5Å; V612-L623 HydrophobicContact CG1-CG 4.41Å; V612-L623 HydrophobicContact CG2-CD1 3.99Å; V612-L623 HydrophobicContact CG2-CG 4.01Å; V612-V677 HydrophobicContact CB-CG2 4.36Å; V612-V677 HydrophobicContact CG1-CG2 4.41Å; V612-V677 HydrophobicContact CG2-CG2 4.11Å; V612-L680 HydrophobicContact CG2-CD2 3.88Å
613	R	94.6	Very high	93.3	Very high	36 Å²	36	28.4 Å²	28.4	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-41.1	176.7	-74	-53.5	-154.8	-157.9	1.3	112.4	I600 R604 A609 L610 F611 T616 K617 D618 A620 D621	I600-R613 HydrophobicContact CG2-CB 4.38Å; R604-R613 HydrophobicContact CG-CG 3.69Å; R604-R613 VanDerWaalsContact NH2-CZ 3.31Å; A609-R613 WeakPolarHBondContact O-CG 3.49Å; A609-R613 PolarHBondContact O-N 3.47Å; L610-R613 PolarHBondContact O-N 2.86Å; L610-R613 VanDerWaalsContact O-N 3.12Å; F611-R613 VanDerWaalsContact C-N 3.33Å; F611-R613 PolarHBondContact O-N 3.39Å; R613-T616 PolarHBondContact O-OG1 3.34Å; R613-K617 PolarHBondContact O-N 3.17Å; R613-D618 VanDerWaalsContact CD-OD1 3.3Å; R613-D618 WeakPolarHBondContact CD-OD1 3.13Å; R613-D618 IonicContact CZ-OD1 2.72Å; R613-D618 IonicContact NE-OD1 2.84Å; R613-D618 PolarHBondContact NE-OD1 2.84Å; R613-D618 PolarHBondContact O-N 2.95Å; R613-A620 VanDerWaalsContact NH1-C 3.3Å; R613-A620 PolarHBondContact NH1-O 2.87Å; R613-D621 IonicContact CZ-OD1 2.63Å; R613-D621 IonicContact NH1-OD1 2.68Å; R613-D621 PolarHBondContact NH1-OD1 3.45Å; R613-D621 IonicContact NH2-OD1 3.51Å; R613-D621 PolarHBondContact NH2-OD1 3.24Å
614	I	96.2	Very high	93.7	Very high	2 Å²	2	26 Å²	26	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-51.7	-178.5	-68.3	164.2	0	0	0	110.5	L568 V572 P575 L576 V579 W597 I600 L610 F611 T616 K617	L568-I614 HydrophobicContact CD1-CD1 3.32Å; V572-I614 HydrophobicContact CG1-CD1 4.36Å; V572-I614 HydrophobicContact CG1-CG2 3.8Å; P575-I614 HydrophobicContact CB-CG2 3.65Å; L576-I614 HydrophobicContact CD1-CD1 4.33Å; V579-I614 HydrophobicContact CG1-CG2 4.17Å; W597-I614 HydrophobicContact CZ3-CD1 4.48Å; I600-I614 HydrophobicContact CD1-CG1 4.37Å; L610-I614 WeakPolarHBondContact O-CG1 3.47Å; L610-I614 PolarHBondContact O-N 2.88Å; F611-I614 PolarHBondContact O-N 3Å; I614-T616 VanDerWaalsContact C-N 3.32Å; I614-T616 PolarHBondContact O-N 2.9Å; I614-K617 PolarHBondContact O-N 3.03Å; I614-K617 VanDerWaalsContact O-N 3.07Å
615	L	96.7	Very high	94.1	Very high	4 Å²	4	28 Å²	28	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-36.8	-178	-91	66.1	0	0	0	112.5	P575 F611 K617 L623 D627 F628 V631	P575-L615 HydrophobicContact CB-CD1 4.08Å; P575-L615 HydrophobicContact CG-CD1 4.08Å; P575-L615 HydrophobicContact CG-CG 4.47Å; F611-L615 HydrophobicContact CD1-CD1 4.1Å; F611-L615 HydrophobicContact CD1-CD2 4.16Å; F611-L615 HydrophobicContact CD2-CD1 4.16Å; F611-L615 HydrophobicContact CE1-CD1 3.81Å; F611-L615 HydrophobicContact CE1-CD2 3.34Å; F611-L615 HydrophobicContact CE1-CG 4.19Å; F611-L615 HydrophobicContact CE2-CD1 3.86Å; F611-L615 HydrophobicContact CG-CD1 4.26Å; F611-L615 HydrophobicContact CZ-CD1 3.65Å; F611-L615 HydrophobicContact CZ-CD2 3.58Å; F611-L615 HydrophobicContact CZ-CG 4.28Å; F611-L615 WeakPolarHBondContact O-CD1 3.47Å; F611-L615 PolarHBondContact O-N 3.31Å; L615-K617 PolarHBondContact O-N 3.39Å; L615-L623 HydrophobicContact CB-CD2 3.62Å; L615-L623 HydrophobicContact CD2-CD1 4.44Å; L615-L623 HydrophobicContact CD2-CD2 3.88Å; L615-L623 HydrophobicContact CG-CD2 4.43Å; L615-D627 HydrophobicContact CB-CB 4.4Å; L615-F628 HydrophobicContact CD2-CD1 4.26Å; L615-F628 HydrophobicContact CD2-CE1 4.4Å; L615-V631 HydrophobicContact CD1-CG2 4.04Å; L615-V631 HydrophobicContact CD2-CG2 4.15Å; L615-V631 HydrophobicContact CG-CG2 4.16Å
616	T	94.6	Very high	94.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	0.7	178.3	63.4	0	0	0	0	113.1	V612 R613 I614 D618 T619 A620 Y622 L623	V612-T616 HydrophobicContact CG1-CG2 4.34Å; V612-T616 WeakPolarHBondContact O-CB 3.37Å; V612-T616 WeakPolarHBondContact O-CG2 3.44Å; V612-T616 PolarHBondContact O-N 3.26Å; V612-T616 VanDerWaalsContact O-N 3.12Å; V612-T616 PolarHBondContact O-OG1 3.48Å; R613-T616 PolarHBondContact O-OG1 3.34Å; I614-T616 VanDerWaalsContact C-N 3.32Å; I614-T616 PolarHBondContact O-N 2.9Å; T616-D618 PolarHBondContact O-N 3.42Å; T616-T619 PolarHBondContact O-N 2.9Å; T616-T619 PolarHBondContact O-OG1 3.28Å; T616-A620 HydrophobicContact CG2-CB 3.91Å; T616-A620 PolarHBondContact OG1-O 3.41Å; T616-Y622 WeakPolarHBondContact CG2-O 3.5Å; T616-L623 HydrophobicContact CG2-CD2 4.01Å
617	K	92	Very high	94.5	Very high	90 Å²	90	26.6 Å²	26.6	39%	0.391	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	37.7	-170.4	-52.3	-171.5	178.8	-169.2	0	112.8	S578 V579 R613 I614 L615 T619	S578-K617 WeakPolarHBondContact OG-CE 3.36Å; S578-K617 PolarHBondContact OG-NZ 3.07Å; V579-K617 HydrophobicContact CG2-CB 4.35Å; R613-K617 PolarHBondContact O-N 3.17Å; I614-K617 PolarHBondContact O-N 3.03Å; I614-K617 VanDerWaalsContact O-N 3.07Å; L615-K617 PolarHBondContact O-N 3.39Å; K617-T619 PolarHBondContact O-N 3.5Å
618	D	89.6	Confident	94.6	Very high	42 Å²	42	23.5 Å²	23.5	23%	0.225	12%	0.124	C	C	.	.	S	Bend	trans	63.7	34.8	177.7	-161.9	26.7	0	0	0	114.2	R599 R613 T616	R599-D618 IonicContact CZ-OD2 2.91Å; R599-D618 IonicContact NE-OD2 2.65Å; R599-D618 PolarHBondContact NE-OD2 2.91Å; R599-D618 IonicContact NH2-OD2 3.57Å; R599-D618 PolarHBondContact NH2-OD2 3.26Å; R613-D618 VanDerWaalsContact CD-OD1 3.3Å; R613-D618 WeakPolarHBondContact CD-OD1 3.13Å; R613-D618 IonicContact CZ-OD1 2.72Å; R613-D618 IonicContact NE-OD1 2.84Å; R613-D618 PolarHBondContact NE-OD1 2.84Å; R613-D618 PolarHBondContact O-N 2.95Å; T616-D618 PolarHBondContact O-N 3.42Å
619	T	89.8	Confident	94.6	Very high	82 Å²	82	24.9 Å²	24.9	50%	0.503	13%	0.133	S	C	.	.	S	Bend	trans	-117.3	-13	-176.1	59.1	0	0	0	0	114.6	R450 T616 K617	R450-T619 PolarHBondContact NH1-OG1 3.2Å; T616-T619 PolarHBondContact O-N 2.9Å; T616-T619 PolarHBondContact O-OG1 3.28Å; K617-T619 PolarHBondContact O-N 3.5Å
620	A	91.9	Very high	94.6	Very high	8 Å²	8	26.7 Å²	26.7	7%	0.066	15%	0.146	C	C	.	.			trans	-145.7	164	-178.6	0	0	0	0	0	112.5	R613 T616	R613-A620 VanDerWaalsContact NH1-C 3.3Å; R613-A620 PolarHBondContact NH1-O 2.87Å; T616-A620 HydrophobicContact CG2-CB 3.91Å; T616-A620 PolarHBondContact OG1-O 3.41Å
621	D	91.2	Very high	94.6	Very high	54 Å²	54	26.3 Å²	26.3	29%	0.289	14%	0.144	S	C	.	.	S	Bend	trans	-105.6	5.4	-179.1	-82	30.3	0	0	0	112.6	Y527 R604 R613 V677	Y527-D621 PolarHBondContact OH-OD2 3.05Å; R604-D621 IonicContact CZ-OD1 3.86Å; R604-D621 IonicContact CZ-OD2 3.15Å; R604-D621 IonicContact NH1-OD2 3.8Å; R604-D621 IonicContact NH2-OD1 3.78Å; R604-D621 PolarHBondContact NH2-OD1 3.32Å; R604-D621 IonicContact NH2-OD2 2.81Å; R604-D621 PolarHBondContact NH2-OD2 3.21Å; R613-D621 IonicContact CZ-OD1 2.63Å; R613-D621 IonicContact NH1-OD1 2.68Å; R613-D621 PolarHBondContact NH1-OD1 3.45Å; R613-D621 IonicContact NH2-OD1 3.51Å; R613-D621 PolarHBondContact NH2-OD1 3.24Å; D621-V677 WeakPolarHBondContact O-CG2 3.47Å
622	Y	94.9	Very high	94.6	Very high	52 Å²	52	26.3 Å²	26.3	20%	0.204	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.3	179.9	57.8	-92.7	0	0	0	108.7	T616 L624 R674 I675	T616-Y622 WeakPolarHBondContact CG2-O 3.5Å; Y622-L624 HydrophobicContact CD2-CD2 4.3Å; Y622-L624 HydrophobicContact CD2-CG 4.33Å; Y622-L624 HydrophobicContact CE2-CD1 4.4Å; Y622-L624 HydrophobicContact CE2-CD2 3.99Å; Y622-L624 HydrophobicContact CE2-CG 4.02Å; Y622-R674 HydrophobicContact CD2-CB 4.12Å; Y622-R674 HydrophobicContact CD2-CG 3.75Å; Y622-R674 HydrophobicContact CE2-CG 4.04Å; Y622-R674 HydrophobicContact CG-CG 4.49Å; Y622-I675 CarbonylContact C-O 3.36Å; Y622-I675 WeakPolarHBondContact CA-O 3.3Å
623	L	96.7	Very high	94.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	144.4	176.8	-63.9	166.4	0	0	0	110.5	F611 V612 L615 T616 D627 F628 Y664 R674 I675 L680	F611-L623 HydrophobicContact CD1-CD1 4.24Å; F611-L623 HydrophobicContact CE1-CD1 4.09Å; V612-L623 HydrophobicContact CG1-CD2 4.5Å; V612-L623 HydrophobicContact CG1-CG 4.41Å; V612-L623 HydrophobicContact CG2-CD1 3.99Å; V612-L623 HydrophobicContact CG2-CG 4.01Å; L615-L623 HydrophobicContact CB-CD2 3.62Å; L615-L623 HydrophobicContact CD2-CD1 4.44Å; L615-L623 HydrophobicContact CD2-CD2 3.88Å; L615-L623 HydrophobicContact CG-CD2 4.43Å; T616-L623 HydrophobicContact CG2-CD2 4.01Å; L623-D627 HydrophobicContact CD2-CB 3.93Å; L623-F628 HydrophobicContact CB-CE2 3.84Å; L623-F628 HydrophobicContact CB-CZ 4.38Å; L623-F628 HydrophobicContact CD1-CE1 4.34Å; L623-F628 HydrophobicContact CD1-CE2 3.89Å; L623-F628 HydrophobicContact CD1-CZ 3.56Å; L623-F628 HydrophobicContact CG-CE2 4.4Å; L623-Y664 VanDerWaalsContact C-OH 3.28Å; L623-Y664 PolarHBondContact O-OH 3.28Å; L623-R674 WeakPolarHBondContact O-CA 3.24Å; L623-I675 HydrophobicContact CB-CB 4.3Å; L623-I675 PolarHBondContact N-O 3.31Å; L623-I675 PolarHBondContact O-N 2.92Å; L623-I675 VanDerWaalsContact O-N 3.11Å; L623-L680 HydrophobicContact CD1-CD2 4.36Å
624	L	95.6	Very high	94.6	Very high	23 Å²	23	27.6 Å²	27.6	12%	0.12	15%	0.151	C	C	.	.			trans	-109.1	162.1	166	-66.1	175.4	0	0	0	110.2	Y622 V626 D627 Y664 R674	Y622-L624 HydrophobicContact CD2-CD2 4.3Å; Y622-L624 HydrophobicContact CD2-CG 4.33Å; Y622-L624 HydrophobicContact CE2-CD1 4.4Å; Y622-L624 HydrophobicContact CE2-CD2 3.99Å; Y622-L624 HydrophobicContact CE2-CG 4.02Å; L624-V626 VanDerWaalsContact C-N 3.25Å; L624-V626 HydrophobicContact CB-CG1 4.26Å; L624-V626 PolarHBondContact O-N 3.45Å; L624-D627 PolarHBondContact N-OD2 3.2Å; L624-D627 WeakPolarHBondContact O-CB 3.25Å; L624-D627 PolarHBondContact O-N 3.46Å; L624-Y664 WeakPolarHBondContact CA-OH 3.27Å; L624-Y664 PolarHBondContact N-OH 3.13Å; L624-Y664 PolarHBondContact O-OH 3.3Å; L624-R674 HydrophobicContact CD2-CG 3.87Å
625	P	94.1	Very high	94.6	Very high	45 Å²	45	27.5 Å²	27.5	29%	0.292	15%	0.151	S	C	.	.	H	α-helix	trans	-51.5	-44.1	-179.7	-31.8	37.5	0	0	0	113.2	D627 F628 I660 Y664	P625-D627 PolarHBondContact O-N 3.41Å; P625-D627 VanDerWaalsContact O-N 3.15Å; P625-F628 PolarHBondContact O-N 2.62Å; P625-F628 VanDerWaalsContact O-N 3.1Å; P625-I660 HydrophobicContact CB-CG2 3.75Å; P625-Y664 HydrophobicContact CB-CE2 4.23Å; P625-Y664 WeakPolarHBondContact CD-OH 3.4Å; P625-Y664 HydrophobicContact CG-CD2 4.44Å; P625-Y664 HydrophobicContact CG-CE1 4.14Å; P625-Y664 HydrophobicContact CG-CE2 3.93Å; P625-Y664 VanDerWaalsContact N-OH 3.09Å
626	V	93.9	Very high	94.5	Very high	41 Å²	41	27.3 Å²	27.3	25%	0.248	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-21.5	178.5	70.8	0	0	0	0	114.3	L624 F628 S629	L624-V626 VanDerWaalsContact C-N 3.25Å; L624-V626 HydrophobicContact CB-CG1 4.26Å; L624-V626 PolarHBondContact O-N 3.45Å; V626-F628 VanDerWaalsContact C-N 3.27Å; V626-F628 PolarHBondContact O-N 3.19Å; V626-S629 PolarHBondContact O-N 3.42Å; V626-S629 PolarHBondContact O-OG 3Å
627	D	96.5	Very high	94.5	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-74.1	-21.2	178.8	-63.7	-45.5	0	0	0	111.5	R450 L615 L623 L624 P625	R450-D627 IonicContact NH2-OD1 3.17Å; R450-D627 PolarHBondContact NH2-OD1 3.2Å; R450-D627 IonicContact NH2-OD2 3.16Å; L615-D627 HydrophobicContact CB-CB 4.4Å; L623-D627 HydrophobicContact CD2-CB 3.93Å; L624-D627 PolarHBondContact N-OD2 3.2Å; L624-D627 WeakPolarHBondContact O-CB 3.25Å; L624-D627 PolarHBondContact O-N 3.46Å; P625-D627 PolarHBondContact O-N 3.41Å; P625-D627 VanDerWaalsContact O-N 3.15Å
628	F	97.5	Very high	94.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-82.4	-18.7	175.4	-74.4	-86.2	0	0	0	113.6	F611 L615 L623 P625 V626 S630 V631 V632 I660 I663 Y664 I675 F685	F611-F628 HydrophobicContact CE1-CE1 4.32Å; L615-F628 HydrophobicContact CD2-CD1 4.26Å; L615-F628 HydrophobicContact CD2-CE1 4.4Å; L623-F628 HydrophobicContact CB-CE2 3.84Å; L623-F628 HydrophobicContact CB-CZ 4.38Å; L623-F628 HydrophobicContact CD1-CE1 4.34Å; L623-F628 HydrophobicContact CD1-CE2 3.89Å; L623-F628 HydrophobicContact CD1-CZ 3.56Å; L623-F628 HydrophobicContact CG-CE2 4.4Å; P625-F628 PolarHBondContact O-N 2.62Å; P625-F628 VanDerWaalsContact O-N 3.1Å; V626-F628 VanDerWaalsContact C-N 3.27Å; V626-F628 PolarHBondContact O-N 3.19Å; F628-S630 PolarHBondContact O-N 3.26Å; F628-S630 VanDerWaalsContact O-N 3.14Å; F628-V631 PolarHBondContact O-N 3.4Å; F628-V632 PolarHBondContact O-N 2.8Å; F628-I660 HydrophobicContact CB-CD1 4.12Å; F628-I660 HydrophobicContact CB-CG1 3.92Å; F628-I663 HydrophobicContact CD1-CD1 3.94Å; F628-I663 HydrophobicContact CD1-CG2 4.46Å; F628-I663 HydrophobicContact CE1-CD1 4.29Å; F628-I663 HydrophobicContact CE1-CG2 3.91Å; F628-I663 HydrophobicContact CE2-CG2 4.28Å; F628-I663 HydrophobicContact CG-CD1 4.44Å; F628-I663 HydrophobicContact CZ-CG2 3.79Å; F628-Y664 AromaticContact CD2-CE2 3.85Å; F628-Y664 HydrophobicContact CD2-CE2 3.85Å; F628-Y664 AromaticContact CE2-CE2 3.73Å; F628-Y664 HydrophobicContact CE2-CE2 3.73Å; F628-I675 HydrophobicContact CE2-CD1 3.99Å; F628-I675 HydrophobicContact CZ-CD1 4.06Å; F628-F685 HydrophobicContact CD1-CZ 4.06Å; F628-F685 AromaticContact CE1-CE1 3.84Å; F628-F685 HydrophobicContact CE1-CE1 3.84Å; F628-F685 HydrophobicContact CE1-CE2 4.21Å; F628-F685 AromaticContact CE1-CZ 3.61Å; F628-F685 HydrophobicContact CE1-CZ 3.61Å
629	S	96.1	Very high	94.8	Very high	32 Å²	32	27.7 Å²	27.7	22%	0.224	16%	0.156	C	C	.	.	H	α-helix	trans	-55.9	-37.5	-173.7	-54.3	0	0	0	0	112.8	V626 Q633	V626-S629 PolarHBondContact O-N 3.42Å; V626-S629 PolarHBondContact O-OG 3Å; S629-Q633 WeakPolarHBondContact O-CB 3.5Å; S629-Q633 PolarHBondContact O-N 3.44Å
630	S	94.5	Very high	95	Very high	39 Å²	39	26.7 Å²	26.7	27%	0.273	15%	0.151	S	C	.	.	H	α-helix	trans	-69.7	-32.4	178.8	49.9	0	0	0	0	113.9	F628 D634	F628-S630 PolarHBondContact O-N 3.26Å; F628-S630 VanDerWaalsContact O-N 3.14Å; S630-D634 WeakPolarHBondContact O-CB 3.04Å; S630-D634 PolarHBondContact O-N 3.23Å
631	V	97.2	Very high	95	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-73.6	-49.6	176.6	174.8	0	0	0	0	109.4	P575 L615 F628 Q633 D634 I635 L689	P575-V631 HydrophobicContact CG-CG2 3.42Å; P575-V631 VanDerWaalsContact CG-CG2 3.42Å; L615-V631 HydrophobicContact CD1-CG2 4.04Å; L615-V631 HydrophobicContact CD2-CG2 4.15Å; L615-V631 HydrophobicContact CG-CG2 4.16Å; F628-V631 PolarHBondContact O-N 3.4Å; V631-Q633 VanDerWaalsContact C-N 3.33Å; V631-Q633 PolarHBondContact O-N 3.42Å; V631-D634 WeakPolarHBondContact O-CB 3.42Å; V631-D634 PolarHBondContact O-N 3.11Å; V631-I635 HydrophobicContact CG1-CD1 4.01Å; V631-I635 WeakPolarHBondContact O-CG1 3.37Å; V631-I635 PolarHBondContact O-N 2.87Å; V631-L689 HydrophobicContact CG1-CD1 4.26Å; V631-L689 HydrophobicContact CG1-CD2 4.16Å
632	V	97.4	Very high	95.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-39.2	-178.2	-178	0	0	0	0	111.2	F628 D634 I635 I636 L656 V659 I660	F628-V632 PolarHBondContact O-N 2.8Å; V632-D634 VanDerWaalsContact C-N 3.3Å; V632-D634 PolarHBondContact O-N 3.29Å; V632-I635 WeakPolarHBondContact O-CB 3.23Å; V632-I635 PolarHBondContact O-N 3.24Å; V632-I636 HydrophobicContact CG1-CD1 4.29Å; V632-I636 WeakPolarHBondContact O-CG1 3.48Å; V632-I636 PolarHBondContact O-N 2.86Å; V632-L656 HydrophobicContact CB-CG 4.36Å; V632-L656 HydrophobicContact CG1-CB 4.26Å; V632-L656 HydrophobicContact CG1-CG 4.11Å; V632-V659 HydrophobicContact CG1-CB 4.09Å; V632-V659 HydrophobicContact CG1-CG1 4.06Å; V632-V659 HydrophobicContact CG1-CG2 4.46Å; V632-V659 HydrophobicContact CG2-CG1 3.81Å; V632-I660 HydrophobicContact CG2-CG1 4.18Å
633	Q	95.2	Very high	94.9	Very high	59 Å²	59	25.4 Å²	25.4	28%	0.276	15%	0.154	S	C	.	.	H	α-helix	trans	-63.2	-37.4	175.5	-172.3	62	60.8	0	0	112.4	S629 V631 I636 N637	S629-Q633 WeakPolarHBondContact O-CB 3.5Å; S629-Q633 PolarHBondContact O-N 3.44Å; V631-Q633 VanDerWaalsContact C-N 3.33Å; V631-Q633 PolarHBondContact O-N 3.42Å; Q633-I636 PolarHBondContact O-N 3.32Å; Q633-N637 PolarHBondContact NE2-OD1 2.85Å; Q633-N637 WeakPolarHBondContact O-CB 3.41Å; Q633-N637 PolarHBondContact O-N 2.81Å; Q633-N637 PolarHBondContact O-ND2 3.29Å; Q633-N637 PolarHBondContact O-OD1 2.9Å
634	D	95.4	Very high	94.4	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-40.9	176.7	-171.9	38.9	0	0	0	111.7	R573 Q574 S630 V631 V632 I636 N637 D638	R573-D634 WeakPolarHBondContact CD-OD2 3.42Å; R573-D634 WeakPolarHBondContact CG-OD2 3.5Å; R573-D634 IonicContact CZ-OD1 2.92Å; R573-D634 IonicContact CZ-OD2 3.33Å; R573-D634 VanDerWaalsContact NE-CG 3.34Å; R573-D634 IonicContact NE-OD1 3.72Å; R573-D634 PolarHBondContact NE-OD1 2.85Å; R573-D634 VanDerWaalsContact NE-OD1 3.07Å; R573-D634 IonicContact NE-OD2 2.85Å; R573-D634 PolarHBondContact NE-OD2 3.44Å; R573-D634 IonicContact NH2-OD1 3.75Å; R573-D634 PolarHBondContact NH2-OD1 2.81Å; R573-D634 IonicContact NH2-OD2 2.84Å; Q574-D634 HydrophobicContact CB-CB 3.7Å; Q574-D634 HydrophobicContact CG-CB 4.39Å; S630-D634 WeakPolarHBondContact O-CB 3.04Å; S630-D634 PolarHBondContact O-N 3.23Å; V631-D634 WeakPolarHBondContact O-CB 3.42Å; V631-D634 PolarHBondContact O-N 3.11Å; V632-D634 VanDerWaalsContact C-N 3.3Å; V632-D634 PolarHBondContact O-N 3.29Å; D634-I636 PolarHBondContact O-N 3.12Å; D634-N637 PolarHBondContact O-N 2.92Å; D634-N637 VanDerWaalsContact O-N 3.15Å; D634-D638 PolarHBondContact O-N 3.46Å; D634-D638 VanDerWaalsContact O-N 3.12Å
635	I	96.4	Very high	94.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.6	-48.1	172.5	-65	163.1	0	0	0	110.7	Y571 V631 V632 N637 D638 H639 L642 L689 L692 I698 F705	Y571-I635 HydrophobicContact CD1-CB 4.4Å; Y571-I635 HydrophobicContact CD1-CG1 3.65Å; Y571-I635 HydrophobicContact CD2-CG1 4.04Å; Y571-I635 HydrophobicContact CE1-CG1 4.19Å; Y571-I635 HydrophobicContact CG-CD1 4.43Å; Y571-I635 HydrophobicContact CG-CG1 3.56Å; V631-I635 HydrophobicContact CG1-CD1 4.01Å; V631-I635 WeakPolarHBondContact O-CG1 3.37Å; V631-I635 PolarHBondContact O-N 2.87Å; V632-I635 WeakPolarHBondContact O-CB 3.23Å; V632-I635 PolarHBondContact O-N 3.24Å; I635-N637 PolarHBondContact O-N 2.83Å; I635-D638 PolarHBondContact O-N 3.38Å; I635-H639 HydrophobicContact CG2-CB 4.03Å; I635-H639 WeakPolarHBondContact O-CB 3.38Å; I635-H639 PolarHBondContact O-N 2.55Å; I635-L642 HydrophobicContact CG2-CD1 3.95Å; I635-L689 HydrophobicContact CD1-CD1 3.97Å; I635-L692 HydrophobicContact CD1-CD2 3.56Å; I635-L692 HydrophobicContact CG1-CD2 3.86Å; I635-L692 HydrophobicContact CG2-CD2 3.93Å; I635-I698 HydrophobicContact CG2-CD1 4.28Å; I635-F705 HydrophobicContact CD1-CD1 4.05Å; I635-F705 HydrophobicContact CD1-CE1 3.63Å; I635-F705 HydrophobicContact CD1-CZ 4.11Å
636	I	94.9	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-40.8	176.6	-66	166	0	0	0	110.8	V632 Q633 D634 L642 L645 R646 Y652 Y655 L656	V632-I636 HydrophobicContact CG1-CD1 4.29Å; V632-I636 WeakPolarHBondContact O-CG1 3.48Å; V632-I636 PolarHBondContact O-N 2.86Å; Q633-I636 PolarHBondContact O-N 3.32Å; D634-I636 PolarHBondContact O-N 3.12Å; I636-L642 HydrophobicContact CG1-CD1 4.35Å; I636-L645 HydrophobicContact CG1-CD2 4.23Å; I636-L645 HydrophobicContact CG2-CD2 4.24Å; I636-R646 WeakPolarHBondContact O-CD 3.49Å; I636-R646 WeakPolarHBondContact O-CG 3.3Å; I636-Y652 HydrophobicContact CG2-CD1 4.3Å; I636-Y652 HydrophobicContact CG2-CD2 4.24Å; I636-Y652 HydrophobicContact CG2-CE1 4.28Å; I636-Y652 HydrophobicContact CG2-CE2 4.18Å; I636-Y652 HydrophobicContact CG2-CG 4.31Å; I636-Y655 HydrophobicContact CD1-CD1 3.76Å; I636-Y655 HydrophobicContact CD1-CE1 4.31Å; I636-Y655 HydrophobicContact CG1-CD1 3.74Å; I636-Y655 HydrophobicContact CG1-CE1 3.84Å; I636-L656 HydrophobicContact CD1-CB 4.32Å
637	N	93.3	Very high	93.6	Very high	79 Å²	79	31.9 Å²	31.9	42%	0.422	18%	0.178	S	C	.	.	H	α-helix	trans	-73.8	-26.7	-173.6	-70.2	-14.5	0	0	0	113.6	Q633 D634 I635 R646	Q633-N637 PolarHBondContact NE2-OD1 2.85Å; Q633-N637 WeakPolarHBondContact O-CB 3.41Å; Q633-N637 PolarHBondContact O-N 2.81Å; Q633-N637 PolarHBondContact O-ND2 3.29Å; Q633-N637 PolarHBondContact O-OD1 2.9Å; D634-N637 PolarHBondContact O-N 2.92Å; D634-N637 VanDerWaalsContact O-N 3.15Å; I635-N637 PolarHBondContact O-N 2.83Å; N637-R646 WeakPolarHBondContact O-CD 3.48Å; N637-R646 PolarHBondContact O-NH1 3.49Å
638	D	93	Very high	93.2	Very high	60 Å²	60	31.9 Å²	31.9	32%	0.321	18%	0.178	S	C	.	.	H	α-helix	trans	-124.1	-34	-167	-155.5	62.3	0	0	0	114.7	Y571 R573 D634 I635	Y571-D638 HydrophobicContact CE1-CB 4.41Å; R573-D638 IonicContact CZ-OD2 2.89Å; R573-D638 VanDerWaalsContact CZ-OD2 3.27Å; R573-D638 IonicContact NH1-OD1 2.75Å; R573-D638 IonicContact NH1-OD2 3.84Å; R573-D638 PolarHBondContact NH1-OD2 2.65Å; R573-D638 IonicContact NH2-OD1 2.63Å; R573-D638 PolarHBondContact NH2-OD1 2.81Å; R573-D638 IonicContact NH2-OD2 3.82Å; R573-D638 PolarHBondContact NH2-OD2 2.95Å; R573-D638 VanDerWaalsContact NH2-OD2 3.17Å; D634-D638 PolarHBondContact O-N 3.46Å; D634-D638 VanDerWaalsContact O-N 3.12Å; I635-D638 PolarHBondContact O-N 3.38Å
639	H	95.1	Very high	92.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.206	C	C	.	.			trans	-61.8	128.6	-171.1	-168.2	-69.8	0	0	0	111.6	Y571 I635 G641 L642 L692 V695 D696	Y571-H639 AromaticContact CZ-CD2 3.82Å; Y571-H639 PolarHBondContact OH-CD2 2.93Å; I635-H639 HydrophobicContact CG2-CB 4.03Å; I635-H639 WeakPolarHBondContact O-CB 3.38Å; I635-H639 PolarHBondContact O-N 2.55Å; H639-G641 VanDerWaalsContact C-N 3.33Å; H639-G641 PolarHBondContact ND1-N 3.47Å; H639-G641 PolarHBondContact O-N 2.74Å; H639-L642 HydrophobicContact CB-CD1 4.48Å; H639-L642 PolarHBondContact O-N 3.02Å; H639-L692 WeakPolarHBondContact NE2-CD1 3.45Å; H639-L692 PolarHBondContact NE2-O 3.32Å; H639-V695 PolarHBondContact CE1-O 3.13Å; H639-V695 PolarHBondContact NE2-O 3.26Å; H639-D696 PolarHBondContact CE1-O 3.2Å; H639-D696 VanDerWaalsContact CE1-O 3.23Å
640	P	93.4	Very high	92.1	Very high	62 Å²	62	39.6 Å²	39.6	40%	0.403	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-62.2	-37.2	-175.7	23.4	-33.5	0	0	0	112.8	L642 V643 D696	P640-L642 PolarHBondContact O-N 3.18Å; P640-L642 VanDerWaalsContact O-N 3.08Å; P640-V643 WeakPolarHBondContact O-CG2 3.43Å; P640-V643 PolarHBondContact O-N 2.8Å; P640-D696 HydrophobicContact CG-CB 4.05Å
641	G	92.4	Very high	91.9	Very high	22 Å²	22	37.8 Å²	37.8	23%	0.227	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-61.7	-9.2	173.6	0	0	0	0	0	116.5	H639 D696	H639-G641 VanDerWaalsContact C-N 3.33Å; H639-G641 PolarHBondContact ND1-N 3.47Å; H639-G641 PolarHBondContact O-N 2.74Å; G641-D696 WeakPolarHBondContact CA-O 3.49Å; G641-D696 PolarHBondContact N-O 2.64Å; G641-D696 VanDerWaalsContact N-O 3.11Å
642	L	93.6	Very high	91.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-112	16.4	179.6	-67.4	178.9	0	0	0	113.7	I635 I636 H639 P640 C644 L645 R646 Y655 I698 Y707	I635-L642 HydrophobicContact CG2-CD1 3.95Å; I636-L642 HydrophobicContact CG1-CD1 4.35Å; H639-L642 HydrophobicContact CB-CD1 4.48Å; H639-L642 PolarHBondContact O-N 3.02Å; P640-L642 PolarHBondContact O-N 3.18Å; P640-L642 VanDerWaalsContact O-N 3.08Å; L642-C644 VanDerWaalsContact C-N 3.27Å; L642-C644 PolarHBondContact O-N 3.22Å; L642-L645 HydrophobicContact CB-CB 4.37Å; L642-L645 HydrophobicContact CD1-CD2 4.46Å; L642-L645 HydrophobicContact CD2-CB 4.3Å; L642-L645 HydrophobicContact CD2-CD2 4.07Å; L642-L645 WeakPolarHBondContact O-CB 3.16Å; L642-L645 PolarHBondContact O-N 3.08Å; L642-L645 VanDerWaalsContact O-N 3.12Å; L642-R646 PolarHBondContact O-N 2.69Å; L642-Y655 HydrophobicContact CD1-CE1 3.96Å; L642-Y655 HydrophobicContact CD2-CE2 4.24Å; L642-I698 HydrophobicContact CD1-CD1 3.58Å; L642-I698 HydrophobicContact CD2-CD1 3.89Å; L642-I698 HydrophobicContact CD2-CG2 4.14Å; L642-I698 HydrophobicContact CG-CD1 3.56Å; L642-I698 HydrophobicContact CG-CG2 4.5Å; L642-Y707 HydrophobicContact CD2-CD2 4.08Å
643	V	90.8	Very high	91.3	Very high	64 Å²	64	41 Å²	41	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-54.5	-42.3	176.8	175.9	0	0	0	0	112.2	P640 R646 Q647	P640-V643 WeakPolarHBondContact O-CG2 3.43Å; P640-V643 PolarHBondContact O-N 2.8Å; V643-R646 PolarHBondContact O-N 3.48Å; V643-Q647 PolarHBondContact O-N 2.91Å
644	C	86.2	Confident	91.2	Very high	43 Å²	43	38.5 Å²	38.5	29%	0.291	20%	0.203	S	C	.	.	H	α-helix	trans	-63.3	-43.1	178	56.1	0	0	0	0	111.8	L642 R646 Q647	L642-C644 VanDerWaalsContact C-N 3.27Å; L642-C644 PolarHBondContact O-N 3.22Å; C644-R646 VanDerWaalsContact C-N 3.32Å; C644-R646 PolarHBondContact O-N 3.26Å; C644-Q647 PolarHBondContact O-N 3.2Å
645	L	89.4	Confident	91.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-41.6	175.4	-180	64.9	0	0	0	110.1	I636 L642 Q647 A648 F651 Y652 Y655 Y707	I636-L645 HydrophobicContact CG1-CD2 4.23Å; I636-L645 HydrophobicContact CG2-CD2 4.24Å; L642-L645 HydrophobicContact CB-CB 4.37Å; L642-L645 HydrophobicContact CD1-CD2 4.46Å; L642-L645 HydrophobicContact CD2-CB 4.3Å; L642-L645 HydrophobicContact CD2-CD2 4.07Å; L642-L645 WeakPolarHBondContact O-CB 3.16Å; L642-L645 PolarHBondContact O-N 3.08Å; L642-L645 VanDerWaalsContact O-N 3.12Å; L645-Q647 PolarHBondContact O-N 3.42Å; L645-A648 CarbonylContact O-C 3.56Å; L645-A648 VanDerWaalsContact O-CA 3.27Å; L645-A648 WeakPolarHBondContact O-CA 3.31Å; L645-A648 VanDerWaalsContact O-CB 3.23Å; L645-A648 WeakPolarHBondContact O-CB 3.32Å; L645-A648 PolarHBondContact O-N 2.87Å; L645-F651 HydrophobicContact CD1-CB 3.66Å; L645-Y652 HydrophobicContact CD1-CD1 4.45Å; L645-Y652 HydrophobicContact CG-CD1 4.35Å; L645-Y652 VanDerWaalsContact O-CE1 3.23Å; L645-Y652 WeakPolarHBondContact O-CE1 3.34Å; L645-Y655 HydrophobicContact CD2-CD1 3.62Å; L645-Y655 HydrophobicContact CD2-CD2 3.96Å; L645-Y655 HydrophobicContact CD2-CE1 4.1Å; L645-Y655 HydrophobicContact CD2-CE2 4.43Å; L645-Y655 HydrophobicContact CD2-CG 3.54Å; L645-Y707 HydrophobicContact CB-CD2 4.43Å; L645-Y707 HydrophobicContact CB-CE2 4.07Å; L645-Y707 HydrophobicContact CD1-CE2 4.16Å
646	R	88.9	Confident	91.3	Very high	79 Å²	79	39.6 Å²	39.6	30%	0.298	21%	0.209	S	C	.	.	H	α-helix	trans	-58.8	-31.7	179.9	-73.8	-171.5	-63.3	-162	-4.6	113.8	I636 N637 L642 V643 C644 A648 Y652	I636-R646 WeakPolarHBondContact O-CD 3.49Å; I636-R646 WeakPolarHBondContact O-CG 3.3Å; N637-R646 WeakPolarHBondContact O-CD 3.48Å; N637-R646 PolarHBondContact O-NH1 3.49Å; L642-R646 PolarHBondContact O-N 2.69Å; V643-R646 PolarHBondContact O-N 3.48Å; C644-R646 VanDerWaalsContact C-N 3.32Å; C644-R646 PolarHBondContact O-N 3.26Å; R646-A648 PolarHBondContact O-N 2.8Å; R646-Y652 VanDerWaalsContact CA-OH 3.27Å; R646-Y652 WeakPolarHBondContact CA-OH 3.49Å; R646-Y652 PolarHBondContact O-OH 3.01Å
647	Q	88.5	Confident	91.3	Very high	124 Å²	124	41.8 Å²	41.8	58%	0.579	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.5	174.3	-64.3	169.6	-4.2	0	0	112.3	V643 C644 L645	V643-Q647 PolarHBondContact O-N 2.91Å; C644-Q647 PolarHBondContact O-N 3.2Å; L645-Q647 PolarHBondContact O-N 3.42Å
648	A	87.3	Confident	91.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.			trans	-114.8	62.2	-169.2	0	0	0	0	0	112.1	A424 L645 R646 A650 F651	A424-A648 HydrophobicContact CB-CB 3.16Å; L645-A648 CarbonylContact O-C 3.56Å; L645-A648 VanDerWaalsContact O-CA 3.27Å; L645-A648 WeakPolarHBondContact O-CA 3.31Å; L645-A648 VanDerWaalsContact O-CB 3.23Å; L645-A648 WeakPolarHBondContact O-CB 3.32Å; L645-A648 PolarHBondContact O-N 2.87Å; R646-A648 PolarHBondContact O-N 2.8Å; A648-A650 PolarHBondContact O-N 3.27Å; A648-F651 HydrophobicContact CB-CD2 3.6Å; A648-F651 HydrophobicContact CB-CE2 4.1Å; A648-F651 PolarHBondContact O-N 3.48Å
649	R	85.3	Confident	91.8	Very high	155 Å²	155	35.3 Å²	35.3	59%	0.585	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-53.8	-26.4	-172.7	-72.6	-178.9	176.4	165.6	-0	115.2	Y107 F651 Y652	Y107-R649 PolarHBondContact OH-NH2 2.85Å; Y107-R649 VanDerWaalsContact OH-NH2 3.1Å; R649-F651 VanDerWaalsContact C-N 3.25Å; R649-F651 PolarHBondContact O-N 3.47Å; R649-Y652 VanDerWaalsContact CA-CE1 3.49Å; R649-Y652 HydrophobicContact CB-CE1 4.33Å; R649-Y652 HydrophobicContact CG-CE1 4.03Å; R649-Y652 HydrophobicContact CG-CE2 4.16Å; R649-Y652 PolarHBondContact O-N 3.5Å
650	A	85.8	Confident	91.9	Very high	39 Å²	39	35.8 Å²	35.8	32%	0.322	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-60	-30.1	176.9	0	0	0	0	0	113.8	E431 A648	E431-A650 VanDerWaalsContact OE2-CB 3.26Å; E431-A650 WeakPolarHBondContact OE2-CB 3.29Å; A648-A650 PolarHBondContact O-N 3.27Å
651	F	90.5	Very high	92	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-93.3	2.4	-176.4	-55.5	-63.7	0	0	0	114.2	I427 Q428 E431 L645 A648 R649 S653 T654 Y655 F710 Y714	I427-F651 HydrophobicContact CB-CE1 4.24Å; I427-F651 HydrophobicContact CB-CE2 3.78Å; I427-F651 HydrophobicContact CB-CZ 3.37Å; I427-F651 HydrophobicContact CD1-CE1 4.43Å; I427-F651 HydrophobicContact CD1-CE2 4.03Å; I427-F651 HydrophobicContact CD1-CZ 4.02Å; I427-F651 HydrophobicContact CG1-CZ 4.32Å; I427-F651 HydrophobicContact CG2-CE1 3.55Å; I427-F651 HydrophobicContact CG2-CE2 4.03Å; I427-F651 HydrophobicContact CG2-CZ 3.11Å; Q428-F651 HydrophobicContact CG-CE2 4.47Å; E431-F651 WeakPolarHBondContact OE2-CZ 3.23Å; L645-F651 HydrophobicContact CD1-CB 3.66Å; A648-F651 HydrophobicContact CB-CD2 3.6Å; A648-F651 HydrophobicContact CB-CE2 4.1Å; A648-F651 PolarHBondContact O-N 3.48Å; R649-F651 VanDerWaalsContact C-N 3.25Å; R649-F651 PolarHBondContact O-N 3.47Å; F651-S653 PolarHBondContact O-N 3.42Å; F651-T654 WeakPolarHBondContact CA-OG1 3.31Å; F651-T654 PolarHBondContact O-OG1 3.37Å; F651-Y655 VanDerWaalsContact O-CB 3.25Å; F651-Y655 WeakPolarHBondContact O-CB 3.45Å; F651-Y655 PolarHBondContact O-N 3.04Å; F651-F710 HydrophobicContact CB-CE1 4.37Å; F651-F710 HydrophobicContact CB-CZ 4.08Å; F651-Y714 HydrophobicContact CD1-CE1 4.18Å; F651-Y714 AromaticContact CE1-CE1 3.84Å; F651-Y714 HydrophobicContact CE1-CE1 3.84Å; F651-Y714 AromaticContact CE1-CZ 3.84Å
652	Y	90.2	Very high	92.2	Very high	40 Å²	40	32.7 Å²	32.7	16%	0.157	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-46.3	-175.9	-78.9	25.1	0	0	0	111.3	I636 L645 R646 R649 L656	I636-Y652 HydrophobicContact CG2-CD1 4.3Å; I636-Y652 HydrophobicContact CG2-CD2 4.24Å; I636-Y652 HydrophobicContact CG2-CE1 4.28Å; I636-Y652 HydrophobicContact CG2-CE2 4.18Å; I636-Y652 HydrophobicContact CG2-CG 4.31Å; L645-Y652 HydrophobicContact CD1-CD1 4.45Å; L645-Y652 HydrophobicContact CG-CD1 4.35Å; L645-Y652 VanDerWaalsContact O-CE1 3.23Å; L645-Y652 WeakPolarHBondContact O-CE1 3.34Å; R646-Y652 VanDerWaalsContact CA-OH 3.27Å; R646-Y652 WeakPolarHBondContact CA-OH 3.49Å; R646-Y652 PolarHBondContact O-OH 3.01Å; R649-Y652 VanDerWaalsContact CA-CE1 3.49Å; R649-Y652 HydrophobicContact CB-CE1 4.33Å; R649-Y652 HydrophobicContact CG-CE1 4.03Å; R649-Y652 HydrophobicContact CG-CE2 4.16Å; R649-Y652 PolarHBondContact O-N 3.5Å; Y652-L656 WeakPolarHBondContact O-CB 3.47Å; Y652-L656 PolarHBondContact O-N 3.34Å
653	S	92.1	Very high	92.4	Very high	31 Å²	31	32.7 Å²	32.7	22%	0.217	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-48	-179.8	50.3	0	0	0	0	111.1	F651 Y655 L656 E657	F651-S653 PolarHBondContact O-N 3.42Å; S653-Y655 PolarHBondContact O-N 3.35Å; S653-L656 PolarHBondContact O-N 3.1Å; S653-E657 WeakPolarHBondContact O-CB 3.36Å; S653-E657 WeakPolarHBondContact O-CG 3.29Å; S653-E657 PolarHBondContact O-N 3.18Å
654	T	93.5	Very high	92.6	Very high	6 Å²	6	30 Å²	30	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-40.6	-179.5	51.7	0	0	0	0	112.1	F651 T658 Y714	F651-T654 WeakPolarHBondContact CA-OG1 3.31Å; F651-T654 PolarHBondContact O-OG1 3.37Å; T654-T658 WeakPolarHBondContact O-CB 3.27Å; T654-T658 PolarHBondContact O-N 2.85Å; T654-T658 PolarHBondContact O-OG1 3.02Å; T654-Y714 HydrophobicContact CG2-CD2 4.28Å; T654-Y714 HydrophobicContact CG2-CE2 3.97Å
655	Y	96.6	Very high	93	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-45.3	175	178.1	-92.6	0	0	0	110.8	I636 L642 L645 F651 S653 E657 T658 V659 F705 Y707 F710	I636-Y655 HydrophobicContact CD1-CD1 3.76Å; I636-Y655 HydrophobicContact CD1-CE1 4.31Å; I636-Y655 HydrophobicContact CG1-CD1 3.74Å; I636-Y655 HydrophobicContact CG1-CE1 3.84Å; L642-Y655 HydrophobicContact CD1-CE1 3.96Å; L642-Y655 HydrophobicContact CD2-CE2 4.24Å; L645-Y655 HydrophobicContact CD2-CD1 3.62Å; L645-Y655 HydrophobicContact CD2-CD2 3.96Å; L645-Y655 HydrophobicContact CD2-CE1 4.1Å; L645-Y655 HydrophobicContact CD2-CE2 4.43Å; L645-Y655 HydrophobicContact CD2-CG 3.54Å; F651-Y655 VanDerWaalsContact O-CB 3.25Å; F651-Y655 WeakPolarHBondContact O-CB 3.45Å; F651-Y655 PolarHBondContact O-N 3.04Å; S653-Y655 PolarHBondContact O-N 3.35Å; Y655-E657 PolarHBondContact O-N 3.15Å; Y655-T658 WeakPolarHBondContact O-CB 3.47Å; Y655-T658 PolarHBondContact O-N 3.01Å; Y655-V659 HydrophobicContact CD1-CG2 4.11Å; Y655-V659 HydrophobicContact CE1-CG2 3.67Å; Y655-V659 HydrophobicContact CE2-CG2 4.12Å; Y655-V659 WeakPolarHBondContact O-CG2 3.49Å; Y655-V659 PolarHBondContact O-N 3.01Å; Y655-F705 PolarHBondContact OH-O 3.3Å; Y655-Y707 HydrophobicContact CD2-CD2 4.37Å; Y655-Y707 HydrophobicContact CE2-CD2 4.33Å; Y655-F710 HydrophobicContact CD2-CB 3.7Å; Y655-F710 AromaticContact CD2-CD1 3.71Å; Y655-F710 HydrophobicContact CD2-CD1 3.71Å; Y655-F710 HydrophobicContact CD2-CD2 4.12Å; Y655-F710 HydrophobicContact CD2-CE1 4.39Å; Y655-F710 AromaticContact CD2-CG 3.54Å; Y655-F710 HydrophobicContact CD2-CG 3.54Å; Y655-F710 HydrophobicContact CE2-CB 4.08Å; Y655-F710 HydrophobicContact CE2-CG 4.39Å; Y655-F710 HydrophobicContact CG-CG 4.38Å
656	L	96.2	Very high	93.2	Very high	25 Å²	25	31.2 Å²	31.2	13%	0.131	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-47.3	176.8	-179.4	149.9	0	0	0	111.7	V632 I636 Y652 S653 T658 V659 I660	V632-L656 HydrophobicContact CB-CG 4.36Å; V632-L656 HydrophobicContact CG1-CB 4.26Å; V632-L656 HydrophobicContact CG1-CG 4.11Å; I636-L656 HydrophobicContact CD1-CB 4.32Å; Y652-L656 WeakPolarHBondContact O-CB 3.47Å; Y652-L656 PolarHBondContact O-N 3.34Å; S653-L656 PolarHBondContact O-N 3.1Å; L656-T658 VanDerWaalsContact C-N 3.33Å; L656-T658 PolarHBondContact O-N 3.39Å; L656-V659 PolarHBondContact O-N 3.17Å; L656-I660 HydrophobicContact CD2-CD1 3.44Å; L656-I660 VanDerWaalsContact CD2-CD1 3.44Å; L656-I660 HydrophobicContact CD2-CG1 4.48Å; L656-I660 HydrophobicContact CG-CD1 3.99Å; L656-I660 WeakPolarHBondContact O-CB 3.42Å; L656-I660 VanDerWaalsContact O-CG1 3.27Å; L656-I660 WeakPolarHBondContact O-CG1 3.45Å; L656-I660 PolarHBondContact O-N 2.7Å
657	E	95.7	Very high	93.5	Very high	47 Å²	47	27.5 Å²	27.5	22%	0.22	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-40.1	176.8	-76	-177.1	-167.4	0	0	112.1	S653 Y655 S661 Y767	S653-E657 WeakPolarHBondContact O-CB 3.36Å; S653-E657 WeakPolarHBondContact O-CG 3.29Å; S653-E657 PolarHBondContact O-N 3.18Å; Y655-E657 PolarHBondContact O-N 3.15Å; E657-S661 VanDerWaalsContact O-CB 3.23Å; E657-S661 WeakPolarHBondContact O-CB 3.48Å; E657-S661 PolarHBondContact O-N 2.97Å; E657-S661 PolarHBondContact O-OG 3.03Å; E657-Y767 HydrophobicContact CB-CD1 4.36Å; E657-Y767 HydrophobicContact CB-CE1 4.49Å
658	T	97.4	Very high	93.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-51.2	176.8	-59.2	0	0	0	0	111.2	T654 Y655 L656 I660 S661 R662 F710 I713 Y767	T654-T658 WeakPolarHBondContact O-CB 3.27Å; T654-T658 PolarHBondContact O-N 2.85Å; T654-T658 PolarHBondContact O-OG1 3.02Å; Y655-T658 WeakPolarHBondContact O-CB 3.47Å; Y655-T658 PolarHBondContact O-N 3.01Å; L656-T658 VanDerWaalsContact C-N 3.33Å; L656-T658 PolarHBondContact O-N 3.39Å; T658-I660 VanDerWaalsContact C-N 3.34Å; T658-I660 PolarHBondContact O-N 2.71Å; T658-S661 PolarHBondContact O-N 2.81Å; T658-R662 HydrophobicContact CG2-CG 4.41Å; T658-R662 WeakPolarHBondContact O-CB 3.23Å; T658-R662 WeakPolarHBondContact O-CG 3.48Å; T658-R662 PolarHBondContact O-N 2.83Å; T658-F710 HydrophobicContact CG2-CB 4.33Å; T658-F710 HydrophobicContact CG2-CD2 4.27Å; T658-F710 WeakPolarHBondContact OG1-CD2 3.1Å; T658-I713 HydrophobicContact CG2-CD1 3.81Å; T658-Y767 WeakPolarHBondContact OG1-CE1 3.23Å; T658-Y767 PolarHBondContact OG1-OH 2.78Å
659	V	98.1	Very high	93.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-46.2	-179.7	171.9	0	0	0	0	110.4	V632 Y655 L656 S661 R662 I663 F705	V632-V659 HydrophobicContact CG1-CB 4.09Å; V632-V659 HydrophobicContact CG1-CG1 4.06Å; V632-V659 HydrophobicContact CG1-CG2 4.46Å; V632-V659 HydrophobicContact CG2-CG1 3.81Å; Y655-V659 HydrophobicContact CD1-CG2 4.11Å; Y655-V659 HydrophobicContact CE1-CG2 3.67Å; Y655-V659 HydrophobicContact CE2-CG2 4.12Å; Y655-V659 WeakPolarHBondContact O-CG2 3.49Å; Y655-V659 PolarHBondContact O-N 3.01Å; L656-V659 PolarHBondContact O-N 3.17Å; V659-S661 PolarHBondContact O-N 3.4Å; V659-R662 PolarHBondContact O-N 3.09Å; V659-I663 HydrophobicContact CG1-CD1 3.95Å; V659-I663 VanDerWaalsContact O-CG1 3.28Å; V659-I663 WeakPolarHBondContact O-CG1 3.23Å; V659-I663 PolarHBondContact O-N 3.14Å; V659-F705 HydrophobicContact CG1-CD1 3.55Å; V659-F705 HydrophobicContact CG1-CE1 3.63Å; V659-F705 HydrophobicContact CG2-CD1 4.48Å
660	I	97.2	Very high	93.4	Very high	12 Å²	12	22.2 Å²	22.2	6%	0.062	11%	0.114	C	C	.	.	H	α-helix	trans	-63.7	-44.3	179	-66.3	174	0	0	0	110.9	P625 F628 V632 L656 T658 R662 I663 Y664	P625-I660 HydrophobicContact CB-CG2 3.75Å; F628-I660 HydrophobicContact CB-CD1 4.12Å; F628-I660 HydrophobicContact CB-CG1 3.92Å; V632-I660 HydrophobicContact CG2-CG1 4.18Å; L656-I660 HydrophobicContact CD2-CD1 3.44Å; L656-I660 VanDerWaalsContact CD2-CD1 3.44Å; L656-I660 HydrophobicContact CD2-CG1 4.48Å; L656-I660 HydrophobicContact CG-CD1 3.99Å; L656-I660 WeakPolarHBondContact O-CB 3.42Å; L656-I660 VanDerWaalsContact O-CG1 3.27Å; L656-I660 WeakPolarHBondContact O-CG1 3.45Å; L656-I660 PolarHBondContact O-N 2.7Å; T658-I660 VanDerWaalsContact C-N 3.34Å; T658-I660 PolarHBondContact O-N 2.71Å; I660-R662 VanDerWaalsContact C-N 3.28Å; I660-R662 PolarHBondContact O-N 3.31Å; I660-I663 WeakPolarHBondContact O-CB 3.36Å; I660-I663 PolarHBondContact O-N 2.7Å; I660-I663 VanDerWaalsContact O-N 3.17Å; I660-Y664 HydrophobicContact CG2-CD2 4.06Å; I660-Y664 HydrophobicContact CG2-CE2 4.21Å; I660-Y664 WeakPolarHBondContact O-CD2 3.22Å; I660-Y664 PolarHBondContact O-N 2.62Å
661	S	95.8	Very high	93.4	Very high	11 Å²	11	21.4 Å²	21.4	8%	0.077	10%	0.103	C	C	.	.	H	α-helix	trans	-58.8	-41.8	176.6	-64.1	0	0	0	0	111.4	E657 T658 V659 Y664 Y665	E657-S661 VanDerWaalsContact O-CB 3.23Å; E657-S661 WeakPolarHBondContact O-CB 3.48Å; E657-S661 PolarHBondContact O-N 2.97Å; E657-S661 PolarHBondContact O-OG 3.03Å; T658-S661 PolarHBondContact O-N 2.81Å; V659-S661 PolarHBondContact O-N 3.4Å; S661-Y664 PolarHBondContact O-N 3.08Å; S661-Y665 WeakPolarHBondContact O-CB 3.28Å; S661-Y665 PolarHBondContact O-N 3.49Å
662	R	97	Very high	93.1	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-67.2	-37.1	176.1	-69.8	-178.1	71.8	-165.3	-3.2	113.2	T658 V659 I660 Y665 N666 R702 D703 Y704 H709 V771 L775	T658-R662 HydrophobicContact CG2-CG 4.41Å; T658-R662 WeakPolarHBondContact O-CB 3.23Å; T658-R662 WeakPolarHBondContact O-CG 3.48Å; T658-R662 PolarHBondContact O-N 2.83Å; V659-R662 PolarHBondContact O-N 3.09Å; I660-R662 VanDerWaalsContact C-N 3.28Å; I660-R662 PolarHBondContact O-N 3.31Å; R662-Y665 PolarHBondContact O-N 3.01Å; R662-N666 PolarHBondContact O-N 3.01Å; R662-N666 VanDerWaalsContact O-N 3.09Å; R662-N666 PolarHBondContact O-ND2 2.7Å; R662-R702 PolarHBondContact NH2-O 3.42Å; R662-D703 PolarHBondContact NH2-O 2.87Å; R662-Y704 PolarHBondContact NH1-O 3.48Å; R662-H709 VanDerWaalsContact CZ-ND1 3.29Å; R662-H709 PolarHBondContact NH1-ND1 3.21Å; R662-H709 VanDerWaalsContact NH1-ND1 3.15Å; R662-H709 PolarHBondContact NH2-ND1 2.74Å; R662-V771 HydrophobicContact CG-CG1 4.21Å; R662-L775 HydrophobicContact CG-CD1 3.98Å
663	I	96.9	Very high	92.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.4	-48.9	172.6	-68.4	164.3	0	0	0	109.5	F628 V659 I660 Y665 N666 V667 I675 F685 Y704	F628-I663 HydrophobicContact CD1-CD1 3.94Å; F628-I663 HydrophobicContact CD1-CG2 4.46Å; F628-I663 HydrophobicContact CE1-CD1 4.29Å; F628-I663 HydrophobicContact CE1-CG2 3.91Å; F628-I663 HydrophobicContact CE2-CG2 4.28Å; F628-I663 HydrophobicContact CG-CD1 4.44Å; F628-I663 HydrophobicContact CZ-CG2 3.79Å; V659-I663 HydrophobicContact CG1-CD1 3.95Å; V659-I663 VanDerWaalsContact O-CG1 3.28Å; V659-I663 WeakPolarHBondContact O-CG1 3.23Å; V659-I663 PolarHBondContact O-N 3.14Å; I660-I663 WeakPolarHBondContact O-CB 3.36Å; I660-I663 PolarHBondContact O-N 2.7Å; I660-I663 VanDerWaalsContact O-N 3.17Å; I663-Y665 PolarHBondContact O-N 3.25Å; I663-N666 PolarHBondContact O-N 3.04Å; I663-V667 HydrophobicContact CG2-CG2 4.12Å; I663-V667 VanDerWaalsContact O-CB 3.27Å; I663-V667 WeakPolarHBondContact O-CB 3.44Å; I663-V667 VanDerWaalsContact O-CG2 3.29Å; I663-V667 WeakPolarHBondContact O-CG2 3.38Å; I663-V667 PolarHBondContact O-N 3.45Å; I663-I675 HydrophobicContact CG2-CD1 4.05Å; I663-F685 HydrophobicContact CD1-CD2 4.4Å; I663-F685 HydrophobicContact CD1-CE2 3.53Å; I663-F685 HydrophobicContact CD1-CZ 4.15Å; I663-F685 HydrophobicContact CG1-CD2 4.07Å; I663-F685 HydrophobicContact CG1-CE2 3.67Å; I663-F685 HydrophobicContact CG2-CD2 4.13Å; I663-F685 HydrophobicContact CG2-CE2 4.14Å; I663-Y704 HydrophobicContact CG1-CD1 3.98Å; I663-Y704 HydrophobicContact CG1-CG 4.03Å
664	Y	95.2	Very high	93	Very high	8 Å²	8	29.1 Å²	29.1	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-37.4	179.2	-87.3	-101	0	0	0	112.8	L623 L624 P625 F628 I660 S661 N666 S668 I675 K784	L623-Y664 VanDerWaalsContact C-OH 3.28Å; L623-Y664 PolarHBondContact O-OH 3.28Å; L624-Y664 WeakPolarHBondContact CA-OH 3.27Å; L624-Y664 PolarHBondContact N-OH 3.13Å; L624-Y664 PolarHBondContact O-OH 3.3Å; P625-Y664 HydrophobicContact CB-CE2 4.23Å; P625-Y664 WeakPolarHBondContact CD-OH 3.4Å; P625-Y664 HydrophobicContact CG-CD2 4.44Å; P625-Y664 HydrophobicContact CG-CE1 4.14Å; P625-Y664 HydrophobicContact CG-CE2 3.93Å; P625-Y664 VanDerWaalsContact N-OH 3.09Å; F628-Y664 AromaticContact CD2-CE2 3.85Å; F628-Y664 HydrophobicContact CD2-CE2 3.85Å; F628-Y664 AromaticContact CE2-CE2 3.73Å; F628-Y664 HydrophobicContact CE2-CE2 3.73Å; I660-Y664 HydrophobicContact CG2-CD2 4.06Å; I660-Y664 HydrophobicContact CG2-CE2 4.21Å; I660-Y664 WeakPolarHBondContact O-CD2 3.22Å; I660-Y664 PolarHBondContact O-N 2.62Å; S661-Y664 PolarHBondContact O-N 3.08Å; Y664-N666 VanDerWaalsContact C-N 3.29Å; Y664-N666 PolarHBondContact O-N 3.26Å; Y664-S668 WeakPolarHBondContact O-CB 3.48Å; Y664-S668 PolarHBondContact O-N 2.89Å; Y664-I675 HydrophobicContact CD1-CD1 4.17Å; Y664-I675 HydrophobicContact CD1-CG1 4.19Å; Y664-I675 HydrophobicContact CD2-CD1 4Å; Y664-I675 HydrophobicContact CE1-CD1 3.98Å; Y664-I675 HydrophobicContact CE1-CG1 3.85Å; Y664-I675 HydrophobicContact CE2-CD1 3.8Å; Y664-I675 HydrophobicContact CG-CD1 4.16Å; Y664-K784 PolarHBondContact O-NZ 3.27Å
665	Y	94.6	Very high	93.1	Very high	6 Å²	6	28.8 Å²	28.8	2%	0.024	14%	0.137	C	C	.	.	H	α-helix	trans	-59.5	-39.9	175	-169.8	-93	0	0	0	111.4	S661 R662 I663 W772 L775 A776 H782 K784 S785	S661-Y665 WeakPolarHBondContact O-CB 3.28Å; S661-Y665 PolarHBondContact O-N 3.49Å; R662-Y665 PolarHBondContact O-N 3.01Å; I663-Y665 PolarHBondContact O-N 3.25Å; Y665-W772 AromaticContact CD2-CD2 3.87Å; Y665-W772 HydrophobicContact CD2-CD2 3.87Å; Y665-W772 AromaticContact CD2-CE3 3.96Å; Y665-W772 HydrophobicContact CD2-CE3 3.96Å; Y665-W772 HydrophobicContact CD2-CG 4.14Å; Y665-W772 HydrophobicContact CE2-CE3 4.43Å; Y665-L775 HydrophobicContact CD1-CB 4.33Å; Y665-L775 HydrophobicContact CD1-CD1 4.03Å; Y665-L775 HydrophobicContact CD2-CB 4.33Å; Y665-L775 HydrophobicContact CD2-CD1 4.17Å; Y665-L775 HydrophobicContact CE1-CB 3.97Å; Y665-L775 HydrophobicContact CE2-CB 4.01Å; Y665-L775 HydrophobicContact CG-CB 4.48Å; Y665-L775 HydrophobicContact CG-CD1 3.84Å; Y665-A776 WeakPolarHBondContact OH-CA 3.44Å; Y665-A776 PolarHBondContact OH-N 2.95Å; Y665-H782 AromaticContact CE1-CE1 3.62Å; Y665-H782 AromaticContact CE1-ND1 3.42Å; Y665-H782 WeakPolarHBondContact CE1-ND1 3.3Å; Y665-H782 AromaticContact CZ-ND1 3.95Å; Y665-K784 HydrophobicContact CD1-CD 4.31Å; Y665-K784 HydrophobicContact CD2-CD 3.53Å; Y665-K784 HydrophobicContact CD2-CG 4.16Å; Y665-K784 HydrophobicContact CE1-CB 4.22Å; Y665-K784 HydrophobicContact CE1-CD 4.48Å; Y665-K784 HydrophobicContact CE2-CB 4.29Å; Y665-K784 HydrophobicContact CE2-CD 3.7Å; Y665-K784 HydrophobicContact CE2-CG 3.79Å; Y665-K784 HydrophobicContact CG-CD 3.85Å; Y665-K784 WeakPolarHBondContact O-CD 3.4Å; Y665-K784 WeakPolarHBondContact O-CE 3.16Å; Y665-K784 PolarHBondContact O-NZ 2.6Å; Y665-S785 PolarHBondContact OH-N 2.72Å
666	N	94.4	Very high	93	Very high	62 Å²	62	30.9 Å²	30.9	33%	0.332	15%	0.152	S	C	.	.	H	α-helix	trans	-92.5	-32.1	-176.5	-72.7	-68.5	0	0	0	114.7	R662 I663 Y664 Y704 H782	R662-N666 PolarHBondContact O-N 3.01Å; R662-N666 VanDerWaalsContact O-N 3.09Å; R662-N666 PolarHBondContact O-ND2 2.7Å; I663-N666 PolarHBondContact O-N 3.04Å; Y664-N666 VanDerWaalsContact C-N 3.29Å; Y664-N666 PolarHBondContact O-N 3.26Å; N666-Y704 HydrophobicContact CB-CE1 3.72Å; N666-H782 PolarHBondContact OD1-NE2 3.47Å
667	V	95.1	Very high	92.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-94.9	-44.1	-171.2	-179.2	0	0	0	0	112.5	I663 R669 I675 F685	I663-V667 HydrophobicContact CG2-CG2 4.12Å; I663-V667 VanDerWaalsContact O-CB 3.27Å; I663-V667 WeakPolarHBondContact O-CB 3.44Å; I663-V667 VanDerWaalsContact O-CG2 3.29Å; I663-V667 WeakPolarHBondContact O-CG2 3.38Å; I663-V667 PolarHBondContact O-N 3.45Å; V667-R669 PolarHBondContact O-N 3.47Å; V667-I675 HydrophobicContact CB-CD1 3.9Å; V667-I675 HydrophobicContact CB-CG1 4.43Å; V667-I675 HydrophobicContact CG1-CD1 3.89Å; V667-I675 HydrophobicContact CG1-CG1 4.12Å; V667-I675 HydrophobicContact CG1-CG2 3.64Å; V667-F685 HydrophobicContact CG2-CB 4.01Å
668	S	90.6	Very high	92.8	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.021	16%	0.155	C	C	.	.			trans	-72.1	124.4	-177.3	-176	0	0	0	0	110.2	Y664 R674 K784	Y664-S668 WeakPolarHBondContact O-CB 3.48Å; Y664-S668 PolarHBondContact O-N 2.89Å; S668-R674 PolarHBondContact OG-O 3.16Å; S668-K784 WeakPolarHBondContact O-CE 3.21Å; S668-K784 PolarHBondContact O-NZ 3.47Å
669	R	85.1	Confident	92.8	Very high	135 Å²	135	32.4 Å²	32.4	51%	0.509	16%	0.158	S	C	.	.	S	Bend	trans	-104.4	-20.2	179.1	-60.3	-176.2	-175.4	-163.9	-2.3	112.5	V667 E679 R682	V667-R669 PolarHBondContact O-N 3.47Å; R669-E679 HydrophobicContact CB-CG 4.34Å; R669-E679 HydrophobicContact CG-CG 4.35Å; R669-E679 PolarHBondContact N-OE1 3.08Å; R669-R682 PolarHBondContact NH2-O 3.12Å
670	S	83.7	Confident	92.7	Very high	31 Å²	31	32.4 Å²	32.4	22%	0.217	16%	0.158	C	C	.	.	S	Bend	trans	-93.4	-4.6	-170.4	54.4	0	0	0	0	114.6	T672 E679	S670-T672 WeakPolarHBondContact O-CG2 3.32Å; S670-T672 PolarHBondContact O-N 2.9Å; S670-T672 VanDerWaalsContact O-N 3.1Å; S670-T672 PolarHBondContact OG-OG1 3.08Å; S670-E679 WeakPolarHBondContact CB-OE1 3.18Å; S670-E679 PolarHBondContact N-OE1 3.13Å; S670-E679 PolarHBondContact OG-OE1 3.18Å
671	W	85.9	Confident	92.6	Very high	22 Å²	22	35.4 Å²	35.4	8%	0.083	17%	0.169	C	C	.	.	S	Bend	trans	54.3	24.3	-173.7	-65	82.2	0	0	0	113.8	R460 W462 W772 K784 E787 Y788 R791	R460-W671 PolarHBondContact NH1-O 3.43Å; W462-W671 HydrophobicContact CH2-CB 4.39Å; W671-W772 HydrophobicContact CD2-CZ3 4.47Å; W671-W772 HydrophobicContact CE3-CH2 4.33Å; W671-W772 AromaticContact CE3-CZ3 3.73Å; W671-W772 HydrophobicContact CE3-CZ3 3.73Å; W671-W772 HydrophobicContact CH2-CE3 4.46Å; W671-W772 AromaticContact CH2-CZ3 3.99Å; W671-W772 HydrophobicContact CH2-CZ3 3.99Å; W671-W772 HydrophobicContact CZ3-CE3 4.09Å; W671-W772 HydrophobicContact CZ3-CH2 4.5Å; W671-W772 AromaticContact CZ3-CZ3 3.5Å; W671-W772 HydrophobicContact CZ3-CZ3 3.5Å; W671-W772 VanDerWaalsContact CZ3-CZ3 3.5Å; W671-K784 HydrophobicContact CZ2-CG 4.21Å; W671-E787 HydrophobicContact CZ2-CB 3.79Å; W671-E787 PolarHBondContact NE1-OE2 3.07Å; W671-Y788 HydrophobicContact CH2-CD2 4.09Å; W671-R791 VanDerWaalsContact CZ3-NH1 3.32Å
672	T	83.5	Confident	92.5	Very high	64 Å²	64	42.2 Å²	42.2	39%	0.393	19%	0.193	S	C	.	.	S	Bend	trans	-91.4	10.4	-175.1	56.2	0	0	0	0	114	S670 R674	S670-T672 WeakPolarHBondContact O-CG2 3.32Å; S670-T672 PolarHBondContact O-N 2.9Å; S670-T672 VanDerWaalsContact O-N 3.1Å; S670-T672 PolarHBondContact OG-OG1 3.08Å; T672-R674 WeakPolarHBondContact O-CG 3.47Å; T672-R674 PolarHBondContact O-N 3.28Å
673	D	85.8	Confident	92.4	Very high	59 Å²	59	43.2 Å²	43.2	32%	0.316	20%	0.201	S	C	.	.	S	Bend	trans	49.7	21.7	-169.1	-66.2	-15.9	0	0	0	113.7	N757	D673-N757 PolarHBondContact OD2-ND2 2.95Å
674	R	93.8	Very high	92.3	Very high	110 Å²	110	46.1 Å²	46.1	42%	0.415	22%	0.221	S	C	.	.			trans	-131	147.9	179.8	-64.4	170.1	-168.7	-159.3	2.3	108.6	Y622 L623 L624 S668 T672	Y622-R674 HydrophobicContact CD2-CB 4.12Å; Y622-R674 HydrophobicContact CD2-CG 3.75Å; Y622-R674 HydrophobicContact CE2-CG 4.04Å; Y622-R674 HydrophobicContact CG-CG 4.49Å; L623-R674 WeakPolarHBondContact O-CA 3.24Å; L624-R674 HydrophobicContact CD2-CG 3.87Å; S668-R674 PolarHBondContact OG-O 3.16Å; T672-R674 WeakPolarHBondContact O-CG 3.47Å; T672-R674 PolarHBondContact O-N 3.28Å
675	I	95.8	Very high	92.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.5	168	-68	167.9	0	0	0	107.7	Y622 L623 F628 I663 Y664 V667 E679 L680	Y622-I675 CarbonylContact C-O 3.36Å; Y622-I675 WeakPolarHBondContact CA-O 3.3Å; L623-I675 HydrophobicContact CB-CB 4.3Å; L623-I675 PolarHBondContact N-O 3.31Å; L623-I675 PolarHBondContact O-N 2.92Å; L623-I675 VanDerWaalsContact O-N 3.11Å; F628-I675 HydrophobicContact CE2-CD1 3.99Å; F628-I675 HydrophobicContact CZ-CD1 4.06Å; I663-I675 HydrophobicContact CG2-CD1 4.05Å; Y664-I675 HydrophobicContact CD1-CD1 4.17Å; Y664-I675 HydrophobicContact CD1-CG1 4.19Å; Y664-I675 HydrophobicContact CD2-CD1 4Å; Y664-I675 HydrophobicContact CE1-CD1 3.98Å; Y664-I675 HydrophobicContact CE1-CG1 3.85Å; Y664-I675 HydrophobicContact CE2-CD1 3.8Å; Y664-I675 HydrophobicContact CG-CD1 4.16Å; V667-I675 HydrophobicContact CB-CD1 3.9Å; V667-I675 HydrophobicContact CB-CG1 4.43Å; V667-I675 HydrophobicContact CG1-CD1 3.89Å; V667-I675 HydrophobicContact CG1-CG1 4.12Å; V667-I675 HydrophobicContact CG1-CG2 3.64Å; I675-E679 HydrophobicContact CG2-CB 4.35Å; I675-L680 HydrophobicContact CG2-CB 4.03Å
676	S	95.1	Very high	92.6	Very high	44 Å²	44	46.1 Å²	46.1	31%	0.308	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	160.5	172.7	64.4	0	0	0	0	111.6	E678 E679 L680	S676-E678 PolarHBondContact O-N 3.31Å; S676-E679 WeakPolarHBondContact CB-OE2 3.45Å; S676-E679 PolarHBondContact N-OE2 3.16Å; S676-E679 PolarHBondContact O-N 2.87Å; S676-E679 WeakPolarHBondContact OG-CG 3.39Å; S676-E679 PolarHBondContact OG-N 3.21Å; S676-E679 PolarHBondContact OG-OE2 3.15Å; S676-L680 PolarHBondContact O-N 3.35Å
677	V	95	Very high	92.7	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.048	23%	0.233	C	C	.	.	H	α-helix	trans	-55.6	-38.3	174.2	-173.3	0	0	0	0	111.5	A608 A609 V612 D621 R681	A608-V677 HydrophobicContact CB-CG1 4.1Å; A609-V677 HydrophobicContact CB-CG1 3.81Å; V612-V677 HydrophobicContact CB-CG2 4.36Å; V612-V677 HydrophobicContact CG1-CG2 4.41Å; V612-V677 HydrophobicContact CG2-CG2 4.11Å; D621-V677 WeakPolarHBondContact O-CG2 3.47Å; V677-R681 VanDerWaalsContact O-CB 3.24Å; V677-R681 WeakPolarHBondContact O-CB 3.49Å; V677-R681 PolarHBondContact O-N 2.97Å
678	E	93.7	Very high	92.8	Very high	80 Å²	80	46.7 Å²	46.7	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-70.7	-40.4	-179.3	-175.9	61.8	-161.7	0	0	112.3	S676 L680 R681 R682	S676-E678 PolarHBondContact O-N 3.31Å; E678-L680 VanDerWaalsContact C-N 3.35Å; E678-R681 PolarHBondContact O-N 3.44Å; E678-R681 IonicContact OE2-CZ 3.68Å; E678-R681 IonicContact OE2-NH1 2.78Å; E678-R681 PolarHBondContact OE2-NH1 2.92Å; E678-R682 WeakPolarHBondContact O-CB 3.35Å; E678-R682 VanDerWaalsContact O-CG 3.26Å; E678-R682 WeakPolarHBondContact O-CG 3.32Å; E678-R682 PolarHBondContact O-N 3.16Å; E678-R682 VanDerWaalsContact OE1-CD 3.31Å; E678-R682 WeakPolarHBondContact OE1-CD 3.19Å; E678-R682 IonicContact OE1-NH1 3.74Å
679	E	95.7	Very high	93.2	Very high	17 Å²	17	46.5 Å²	46.5	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-44.2	174.2	-75.7	163.3	136.4	0	0	111.1	R669 S670 I675 S676 R682 S683	R669-E679 HydrophobicContact CB-CG 4.34Å; R669-E679 HydrophobicContact CG-CG 4.35Å; R669-E679 PolarHBondContact N-OE1 3.08Å; S670-E679 WeakPolarHBondContact CB-OE1 3.18Å; S670-E679 PolarHBondContact N-OE1 3.13Å; S670-E679 PolarHBondContact OG-OE1 3.18Å; I675-E679 HydrophobicContact CG2-CB 4.35Å; S676-E679 WeakPolarHBondContact CB-OE2 3.45Å; S676-E679 PolarHBondContact N-OE2 3.16Å; S676-E679 PolarHBondContact O-N 2.87Å; S676-E679 WeakPolarHBondContact OG-CG 3.39Å; S676-E679 PolarHBondContact OG-N 3.21Å; S676-E679 PolarHBondContact OG-OE2 3.15Å; E679-R682 PolarHBondContact O-N 3.27Å; E679-S683 WeakPolarHBondContact O-CB 3.1Å; E679-S683 PolarHBondContact O-N 3.38Å
680	L	96.5	Very high	93.7	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-49	176	-174.9	67.3	0	0	0	111.3	A608 F611 V612 L623 I675 S676 E678 R682 S683 F685 L686	A608-L680 HydrophobicContact CB-CD2 4.18Å; A608-L680 HydrophobicContact CB-CG 4.39Å; F611-L680 HydrophobicContact CB-CD2 4.38Å; F611-L680 HydrophobicContact CD1-CD2 3.66Å; F611-L680 HydrophobicContact CE1-CD2 4.37Å; F611-L680 HydrophobicContact CG-CD2 4.34Å; V612-L680 HydrophobicContact CG2-CD2 3.88Å; L623-L680 HydrophobicContact CD1-CD2 4.36Å; I675-L680 HydrophobicContact CG2-CB 4.03Å; S676-L680 PolarHBondContact O-N 3.35Å; E678-L680 VanDerWaalsContact C-N 3.35Å; L680-R682 PolarHBondContact O-N 3.08Å; L680-S683 PolarHBondContact O-N 3.05Å; L680-S683 PolarHBondContact O-OG 2.68Å; L680-F685 HydrophobicContact CD1-CB 4.14Å; L680-F685 HydrophobicContact CD1-CD1 3.7Å; L680-F685 HydrophobicContact CD1-CG 4.22Å; L680-L686 HydrophobicContact CD2-CD1 4.48Å; L680-L686 HydrophobicContact CG-CD1 4.45Å; L680-L686 HydrophobicContact CG-CG 4.48Å
681	R	94.6	Very high	94.3	Very high	74 Å²	74	47.4 Å²	47.4	28%	0.279	24%	0.235	S	C	.	.	H	α-helix	trans	-58.4	-35	179.8	-177.7	-175.1	-65.9	118.2	0	113	P526 D606 A608 V677 E678 S683	P526-R681 PolarHBondContact O-NH1 3Å; P526-R681 PolarHBondContact O-NH2 2.71Å; D606-R681 IonicContact OD1-NH2 3.37Å; D606-R681 PolarHBondContact OD1-NH2 3.37Å; D606-R681 IonicContact OD2-CZ 3.29Å; D606-R681 IonicContact OD2-NE 2.92Å; D606-R681 PolarHBondContact OD2-NE 3.18Å; D606-R681 IonicContact OD2-NH2 3.44Å; D606-R681 PolarHBondContact OD2-NH2 3.33Å; A608-R681 HydrophobicContact CB-CB 3.92Å; V677-R681 VanDerWaalsContact O-CB 3.24Å; V677-R681 WeakPolarHBondContact O-CB 3.49Å; V677-R681 PolarHBondContact O-N 2.97Å; E678-R681 PolarHBondContact O-N 3.44Å; E678-R681 IonicContact OE2-CZ 3.68Å; E678-R681 IonicContact OE2-NH1 2.78Å; E678-R681 PolarHBondContact OE2-NH1 2.92Å; R681-S683 VanDerWaalsContact C-N 3.35Å
682	R	94.3	Very high	94.7	Very high	154 Å²	154	46.4 Å²	46.4	58%	0.581	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.8	-179.6	-65.3	-178.9	76.9	125.2	1.7	113.7	R669 E678 E679 L680	R669-R682 PolarHBondContact NH2-O 3.12Å; E678-R682 WeakPolarHBondContact O-CB 3.35Å; E678-R682 VanDerWaalsContact O-CG 3.26Å; E678-R682 WeakPolarHBondContact O-CG 3.32Å; E678-R682 PolarHBondContact O-N 3.16Å; E678-R682 VanDerWaalsContact OE1-CD 3.31Å; E678-R682 WeakPolarHBondContact OE1-CD 3.19Å; E678-R682 IonicContact OE1-NH1 3.74Å; E679-R682 PolarHBondContact O-N 3.27Å; L680-R682 PolarHBondContact O-N 3.08Å
683	S	95.9	Very high	95.1	Very high	29 Å²	29	45.2 Å²	45.2	20%	0.203	23%	0.231	C	C	.	.	S	Bend	trans	-95.5	164.6	177.7	77.6	0	0	0	0	111.2	E679 L680 R681 F685	E679-S683 WeakPolarHBondContact O-CB 3.1Å; E679-S683 PolarHBondContact O-N 3.38Å; L680-S683 PolarHBondContact O-N 3.05Å; L680-S683 PolarHBondContact O-OG 2.68Å; R681-S683 VanDerWaalsContact C-N 3.35Å; S683-F685 VanDerWaalsContact C-N 3.26Å; S683-F685 WeakPolarHBondContact OG-CB 3.48Å; S683-F685 PolarHBondContact OG-N 3.47Å
684	S	95	Very high	95.4	Very high	60 Å²	60	50 Å²	50	42%	0.42	25%	0.252	S	S	.	.	S	Bend	trans	-80.7	-2.1	171.5	49.9	0	0	0	0	113.5	L686 A687 T688 Y704	S684-L686 PolarHBondContact O-N 3.28Å; S684-A687 WeakPolarHBondContact O-CB 3.3Å; S684-A687 PolarHBondContact O-N 3.39Å; S684-T688 PolarHBondContact O-N 3.45Å; S684-T688 PolarHBondContact O-OG1 3.46Å; S684-T688 VanDerWaalsContact O-OG1 3.13Å; S684-Y704 PolarHBondContact OG-OH 3Å
685	F	97.9	Very high	95.4	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-53.9	-47.9	-167.3	177.6	-95.5	0	0	0	114.3	F611 F628 I663 V667 L680 S683 T688 L689 Y704 F705	F611-F685 AromaticContact CE1-CE1 3.98Å; F611-F685 HydrophobicContact CE1-CE1 3.98Å; F611-F685 HydrophobicContact CE2-CE1 4.39Å; F611-F685 AromaticContact CZ-CE1 3.63Å; F611-F685 HydrophobicContact CZ-CE1 3.63Å; F611-F685 HydrophobicContact CZ-CZ 4.42Å; F628-F685 HydrophobicContact CD1-CZ 4.06Å; F628-F685 AromaticContact CE1-CE1 3.84Å; F628-F685 HydrophobicContact CE1-CE1 3.84Å; F628-F685 HydrophobicContact CE1-CE2 4.21Å; F628-F685 AromaticContact CE1-CZ 3.61Å; F628-F685 HydrophobicContact CE1-CZ 3.61Å; I663-F685 HydrophobicContact CD1-CD2 4.4Å; I663-F685 HydrophobicContact CD1-CE2 3.53Å; I663-F685 HydrophobicContact CD1-CZ 4.15Å; I663-F685 HydrophobicContact CG1-CD2 4.07Å; I663-F685 HydrophobicContact CG1-CE2 3.67Å; I663-F685 HydrophobicContact CG2-CD2 4.13Å; I663-F685 HydrophobicContact CG2-CE2 4.14Å; V667-F685 HydrophobicContact CG2-CB 4.01Å; L680-F685 HydrophobicContact CD1-CB 4.14Å; L680-F685 HydrophobicContact CD1-CD1 3.7Å; L680-F685 HydrophobicContact CD1-CG 4.22Å; S683-F685 VanDerWaalsContact C-N 3.26Å; S683-F685 WeakPolarHBondContact OG-CB 3.48Å; S683-F685 PolarHBondContact OG-N 3.47Å; F685-T688 PolarHBondContact O-N 2.99Å; F685-L689 HydrophobicContact CE1-CD2 4.09Å; F685-L689 HydrophobicContact CZ-CD2 4.24Å; F685-L689 WeakPolarHBondContact O-CB 3.35Å; F685-L689 PolarHBondContact O-N 2.95Å; F685-Y704 HydrophobicContact CB-CE2 4.23Å; F685-Y704 AromaticContact CD2-CD2 3.85Å; F685-Y704 HydrophobicContact CD2-CD2 3.85Å; F685-Y704 AromaticContact CD2-CE2 3.68Å; F685-Y704 HydrophobicContact CD2-CE2 3.68Å; F685-Y704 HydrophobicContact CD2-CG 4.42Å; F685-Y704 HydrophobicContact CE2-CD2 4.29Å; F685-Y704 HydrophobicContact CG-CE2 4.4Å; F685-F705 HydrophobicContact CE2-CZ 4.04Å
686	L	97.7	Very high	95.3	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-40.1	-179.9	-64.8	175.2	0	0	0	111.9	P569 E607 A608 F611 L680 S684 T688 L689 H690	P569-L686 HydrophobicContact CG-CD2 4.48Å; E607-L686 HydrophobicContact CB-CD1 4.39Å; E607-L686 HydrophobicContact CG-CD1 4.01Å; A608-L686 HydrophobicContact CB-CD1 4.14Å; F611-L686 HydrophobicContact CB-CD2 4.22Å; F611-L686 HydrophobicContact CD1-CD2 4.18Å; F611-L686 HydrophobicContact CD2-CD2 3.55Å; F611-L686 HydrophobicContact CE1-CD2 4.45Å; F611-L686 HydrophobicContact CE2-CD2 3.86Å; F611-L686 HydrophobicContact CG-CD2 3.73Å; F611-L686 HydrophobicContact CZ-CD2 4.33Å; L680-L686 HydrophobicContact CD2-CD1 4.48Å; L680-L686 HydrophobicContact CG-CD1 4.45Å; L680-L686 HydrophobicContact CG-CG 4.48Å; S684-L686 PolarHBondContact O-N 3.28Å; L686-T688 PolarHBondContact O-N 2.87Å; L686-L689 PolarHBondContact O-N 3.22Å; L686-H690 PolarHBondContact O-CD2 3.13Å; L686-H690 PolarHBondContact O-N 3.37Å
687	A	97.1	Very high	95.2	Very high	67 Å²	67	53.3 Å²	53.3	55%	0.554	28%	0.276	S	S	*	.	H	α-helix	trans	-63.5	-41.7	175.4	0	0	0	0	0	111.6	S684 L689 H690 R691	S684-A687 WeakPolarHBondContact O-CB 3.3Å; S684-A687 PolarHBondContact O-N 3.39Å; A687-L689 VanDerWaalsContact C-N 3.32Å; A687-L689 PolarHBondContact O-N 3.07Å; A687-H690 PolarHBondContact O-N 3.2Å; A687-R691 PolarHBondContact O-N 2.93Å
688	T	96.9	Very high	95.1	Very high	7 Å²	7	53 Å²	53	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-38.5	174	-54.8	0	0	0	0	111.4	S684 F685 L686 R691 L692 V701 D703 Y704 F705	S684-T688 PolarHBondContact O-N 3.45Å; S684-T688 PolarHBondContact O-OG1 3.46Å; S684-T688 VanDerWaalsContact O-OG1 3.13Å; F685-T688 PolarHBondContact O-N 2.99Å; L686-T688 PolarHBondContact O-N 2.87Å; T688-R691 PolarHBondContact O-N 3.44Å; T688-L692 PolarHBondContact O-N 2.99Å; T688-V701 HydrophobicContact CG2-CG1 3.33Å; T688-D703 HydrophobicContact CG2-CB 4.05Å; T688-D703 VanDerWaalsContact CG2-OD2 3.23Å; T688-D703 WeakPolarHBondContact CG2-OD2 3.32Å; T688-D703 PolarHBondContact OG1-OD2 3.3Å; T688-Y704 HydrophobicContact CG2-CD2 3.74Å; T688-Y704 HydrophobicContact CG2-CE2 3.83Å; T688-F705 HydrophobicContact CG2-CD2 4.41Å; T688-F705 HydrophobicContact CG2-CE2 4.2Å
689	L	97.2	Very high	95.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70.7	-34.8	179.1	-168.1	60.6	0	0	0	112.7	P569 Y571 V572 F611 V631 I635 F685 L686 A687 L692 F705	P569-L689 HydrophobicContact CB-CB 4Å; P569-L689 HydrophobicContact CB-CD2 3.77Å; P569-L689 HydrophobicContact CB-CG 3.55Å; P569-L689 HydrophobicContact CG-CB 4.04Å; P569-L689 HydrophobicContact CG-CD2 3.9Å; P569-L689 HydrophobicContact CG-CG 3.99Å; Y571-L689 HydrophobicContact CD2-CD1 4.49Å; V572-L689 HydrophobicContact CG2-CD2 4.34Å; F611-L689 HydrophobicContact CE2-CD2 3.87Å; F611-L689 HydrophobicContact CZ-CD2 4.25Å; V631-L689 HydrophobicContact CG1-CD1 4.26Å; V631-L689 HydrophobicContact CG1-CD2 4.16Å; I635-L689 HydrophobicContact CD1-CD1 3.97Å; F685-L689 HydrophobicContact CE1-CD2 4.09Å; F685-L689 HydrophobicContact CZ-CD2 4.24Å; F685-L689 WeakPolarHBondContact O-CB 3.35Å; F685-L689 PolarHBondContact O-N 2.95Å; L686-L689 PolarHBondContact O-N 3.22Å; A687-L689 VanDerWaalsContact C-N 3.32Å; A687-L689 PolarHBondContact O-N 3.07Å; L689-L692 HydrophobicContact CD1-CD2 4.1Å; L689-L692 WeakPolarHBondContact O-CB 3.45Å; L689-L692 PolarHBondContact O-N 3.24Å; L689-F705 HydrophobicContact CD1-CE2 4.27Å; L689-F705 HydrophobicContact CD1-CZ 3.94Å
690	H	97.1	Very high	94.9	Very high	62 Å²	62	55.2 Å²	55.2	29%	0.287	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-50.8	168.7	-81.5	-68.6	0	0	0	111.1	P569 E607 L686 A687 L692 G693	P569-H690 VanDerWaalsContact N-CE1 3.34Å; E607-H690 IonicContact OE1-CD2 2.7Å; E607-H690 IonicContact OE1-CE1 3.56Å; E607-H690 IonicContact OE1-NE2 3.07Å; E607-H690 PolarHBondContact OE1-NE2 2.63Å; L686-H690 PolarHBondContact O-CD2 3.13Å; L686-H690 PolarHBondContact O-N 3.37Å; A687-H690 PolarHBondContact O-N 3.2Å; H690-L692 PolarHBondContact O-N 3.15Å; H690-L692 VanDerWaalsContact O-N 3.17Å; H690-G693 PolarHBondContact O-N 3.31Å
691	R	95.7	Very high	94.8	Very high	123 Å²	123	55.2 Å²	55.2	46%	0.464	28%	0.283	S	S	.	.	H	α-helix	trans	-58.1	-31.8	179.1	-172.8	179.3	-178.9	-161.5	-0.9	112.9	A687 T688 G693 E694 V695	A687-R691 PolarHBondContact O-N 2.93Å; T688-R691 PolarHBondContact O-N 3.44Å; R691-G693 PolarHBondContact O-N 2.84Å; R691-E694 PolarHBondContact O-N 3.21Å; R691-V695 HydrophobicContact CG-CG2 3.99Å; R691-V695 WeakPolarHBondContact O-CG2 3.31Å; R691-V695 PolarHBondContact O-N 3.39Å
692	L	95.1	Very high	94.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-26.2	176.8	-167.9	69.2	0	0	0	112.7	Y571 I635 H639 T688 L689 H690 E694 I698 V701 F705	Y571-L692 HydrophobicContact CD2-CB 4.41Å; Y571-L692 HydrophobicContact CD2-CD2 3.95Å; Y571-L692 HydrophobicContact CD2-CG 4.21Å; Y571-L692 HydrophobicContact CE2-CB 4.24Å; Y571-L692 HydrophobicContact CE2-CD2 3.96Å; Y571-L692 HydrophobicContact CE2-CG 3.83Å; I635-L692 HydrophobicContact CD1-CD2 3.56Å; I635-L692 HydrophobicContact CG1-CD2 3.86Å; I635-L692 HydrophobicContact CG2-CD2 3.93Å; H639-L692 WeakPolarHBondContact NE2-CD1 3.45Å; H639-L692 PolarHBondContact NE2-O 3.32Å; T688-L692 PolarHBondContact O-N 2.99Å; L689-L692 HydrophobicContact CD1-CD2 4.1Å; L689-L692 WeakPolarHBondContact O-CB 3.45Å; L689-L692 PolarHBondContact O-N 3.24Å; H690-L692 PolarHBondContact O-N 3.15Å; H690-L692 VanDerWaalsContact O-N 3.17Å; L692-E694 VanDerWaalsContact C-N 3.28Å; L692-I698 HydrophobicContact CD1-CD1 4.31Å; L692-I698 HydrophobicContact CD1-CG1 3.93Å; L692-V701 HydrophobicContact CD1-CB 4.34Å; L692-V701 HydrophobicContact CD1-CG1 4.47Å; L692-V701 HydrophobicContact CD1-CG2 4.32Å; L692-F705 HydrophobicContact CD1-CB 4.35Å; L692-F705 HydrophobicContact CD1-CD2 4.15Å; L692-F705 HydrophobicContact CD1-CG 4.43Å; L692-F705 HydrophobicContact CD2-CD1 4.38Å; L692-F705 HydrophobicContact CD2-CD2 3.79Å; L692-F705 HydrophobicContact CD2-CE2 3.95Å; L692-F705 HydrophobicContact CD2-CG 4.02Å; L692-F705 HydrophobicContact CD2-CZ 4.33Å; L692-F705 HydrophobicContact CG-CD2 4.47Å
693	G	91	Very high	94.7	Very high	39 Å²	39	51.1 Å²	51.1	40%	0.402	27%	0.272	S	S	.	.	H	α-helix	trans	-73	-19.4	173.1	0	0	0	0	0	113.8	H690 R691	H690-G693 PolarHBondContact O-N 3.31Å; R691-G693 PolarHBondContact O-N 2.84Å
694	E	92.7	Very high	94.7	Very high	158 Å²	158	50 Å²	50	74%	0.738	26%	0.264	S	S	*	.	H	α-helix	trans	-100.3	-22.5	-173.9	-57.7	175.3	166.4	0	0	113.2	R691 L692	R691-E694 PolarHBondContact O-N 3.21Å; L692-E694 VanDerWaalsContact C-N 3.28Å
695	V	93.7	Very high	94.8	Very high	34 Å²	34	47.1 Å²	47.1	21%	0.206	24%	0.244	C	C	.	.			trans	-111.6	113.3	-169.5	-178.2	0	0	0	0	110.9	H639 R691 D697 K700 V701	H639-V695 PolarHBondContact CE1-O 3.13Å; H639-V695 PolarHBondContact NE2-O 3.26Å; R691-V695 HydrophobicContact CG-CG2 3.99Å; R691-V695 WeakPolarHBondContact O-CG2 3.31Å; R691-V695 PolarHBondContact O-N 3.39Å; V695-D697 VanDerWaalsContact C-N 3.34Å; V695-D697 WeakPolarHBondContact CG1-O 3.44Å; V695-D697 PolarHBondContact O-N 2.92Å; V695-K700 HydrophobicContact CG1-CB 4Å; V695-K700 HydrophobicContact CG1-CG 4.43Å; V695-V701 HydrophobicContact CB-CG2 4.28Å; V695-V701 HydrophobicContact CG1-CG2 4.41Å
696	D	93	Very high	94.7	Very high	124 Å²	124	47.1 Å²	47.1	66%	0.663	24%	0.244	S	C	*	.	S	Bend	trans	-66.3	-33.9	-179.8	-69.2	-26.8	0	0	0	113.7	H639 P640 G641 I698	H639-D696 PolarHBondContact CE1-O 3.2Å; H639-D696 VanDerWaalsContact CE1-O 3.23Å; P640-D696 HydrophobicContact CG-CB 4.05Å; G641-D696 WeakPolarHBondContact CA-O 3.49Å; G641-D696 PolarHBondContact N-O 2.64Å; G641-D696 VanDerWaalsContact N-O 3.11Å; D696-I698 PolarHBondContact O-N 2.7Å
697	D	93.1	Very high	94.6	Very high	67 Å²	67	47 Å²	47	36%	0.358	24%	0.243	S	C	.	.			trans	-88.2	101.9	178	-179.5	8.2	0	0	0	111.1	V695 N699 K700	V695-D697 VanDerWaalsContact C-N 3.34Å; V695-D697 WeakPolarHBondContact CG1-O 3.44Å; V695-D697 PolarHBondContact O-N 2.92Å; D697-N699 PolarHBondContact O-N 2.92Å; D697-N699 VanDerWaalsContact O-N 3.13Å; D697-N699 WeakPolarHBondContact OD1-CB 3.24Å; D697-N699 PolarHBondContact OD1-N 3.17Å; D697-K700 HydrophobicContact CB-CG 3.93Å; D697-K700 WeakPolarHBondContact O-CB 3.24Å; D697-K700 PolarHBondContact O-N 3.49Å; D697-K700 VanDerWaalsContact O-N 3.08Å; D697-K700 VanDerWaalsContact OD2-CE 3.3Å; D697-K700 WeakPolarHBondContact OD2-CE 3.5Å; D697-K700 WeakPolarHBondContact OD2-CG 3.17Å
698	I	93.5	Very high	94.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-61.2	-24.4	-177.4	-159.1	162.8	0	0	0	113.2	I635 L642 L692 D696 K700 V701 F705	I635-I698 HydrophobicContact CG2-CD1 4.28Å; L642-I698 HydrophobicContact CD1-CD1 3.58Å; L642-I698 HydrophobicContact CD2-CD1 3.89Å; L642-I698 HydrophobicContact CD2-CG2 4.14Å; L642-I698 HydrophobicContact CG-CD1 3.56Å; L642-I698 HydrophobicContact CG-CG2 4.5Å; L692-I698 HydrophobicContact CD1-CD1 4.31Å; L692-I698 HydrophobicContact CD1-CG1 3.93Å; D696-I698 PolarHBondContact O-N 2.7Å; I698-K700 VanDerWaalsContact C-N 3.25Å; I698-K700 PolarHBondContact O-N 3.34Å; I698-V701 PolarHBondContact O-N 3.31Å; I698-V701 VanDerWaalsContact O-N 3.12Å; I698-F705 HydrophobicContact CD1-CB 3.91Å; I698-F705 WeakPolarHBondContact CD1-O 3.39Å; I698-F705 HydrophobicContact CG1-CB 3.88Å; I698-F705 WeakPolarHBondContact CG1-O 3.31Å
699	N	93.1	Very high	94.5	Very high	26 Å²	26	45.7 Å²	45.7	14%	0.139	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-77.6	-11.7	-178.9	-60.2	-45.6	0	0	0	112.8	D697 V701 R702 Y707 E708	D697-N699 PolarHBondContact O-N 2.92Å; D697-N699 VanDerWaalsContact O-N 3.13Å; D697-N699 WeakPolarHBondContact OD1-CB 3.24Å; D697-N699 PolarHBondContact OD1-N 3.17Å; N699-V701 VanDerWaalsContact C-N 3.28Å; N699-R702 VanDerWaalsContact O-CG 3.31Å; N699-R702 WeakPolarHBondContact O-CG 3.33Å; N699-Y707 WeakPolarHBondContact OD1-CA 3.38Å; N699-Y707 WeakPolarHBondContact OD1-CB 3.49Å; N699-Y707 PolarHBondContact OD1-N 3.04Å; N699-E708 HydrophobicContact CB-CG 4.24Å; N699-E708 PolarHBondContact OD1-N 3.27Å; N699-E708 VanDerWaalsContact OD1-N 3.13Å
700	K	92.4	Very high	94.5	Very high	118 Å²	118	45.8 Å²	45.8	51%	0.513	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-75.3	-18.8	167.6	-58.4	-61	180	-177.3	0	112.5	V695 D697 I698	V695-K700 HydrophobicContact CG1-CB 4Å; V695-K700 HydrophobicContact CG1-CG 4.43Å; D697-K700 HydrophobicContact CB-CG 3.93Å; D697-K700 WeakPolarHBondContact O-CB 3.24Å; D697-K700 PolarHBondContact O-N 3.49Å; D697-K700 VanDerWaalsContact O-N 3.08Å; D697-K700 VanDerWaalsContact OD2-CE 3.3Å; D697-K700 WeakPolarHBondContact OD2-CE 3.5Å; D697-K700 WeakPolarHBondContact OD2-CG 3.17Å; I698-K700 VanDerWaalsContact C-N 3.25Å; I698-K700 PolarHBondContact O-N 3.34Å
701	V	93.1	Very high	94.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	21%	0.214	C	C	.	.			trans	-101.7	78.2	177.6	-171.5	0	0	0	0	109.3	T688 L692 V695 I698 N699 D703 F705 S706	T688-V701 HydrophobicContact CG2-CG1 3.33Å; L692-V701 HydrophobicContact CD1-CB 4.34Å; L692-V701 HydrophobicContact CD1-CG1 4.47Å; L692-V701 HydrophobicContact CD1-CG2 4.32Å; V695-V701 HydrophobicContact CB-CG2 4.28Å; V695-V701 HydrophobicContact CG1-CG2 4.41Å; I698-V701 PolarHBondContact O-N 3.31Å; I698-V701 VanDerWaalsContact O-N 3.12Å; N699-V701 VanDerWaalsContact C-N 3.28Å; V701-D703 PolarHBondContact O-N 3.4Å; V701-F705 HydrophobicContact CG1-CD2 4.3Å; V701-S706 PolarHBondContact O-N 2.87Å
702	R	93.5	Very high	94.4	Very high	74 Å²	74	37.6 Å²	37.6	28%	0.279	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.8	-167.2	-67.6	-171.5	-175.7	109.3	-1.8	115.5	R662 N699 Y704 H709 L889	R662-R702 PolarHBondContact NH2-O 3.42Å; N699-R702 VanDerWaalsContact O-CG 3.31Å; N699-R702 WeakPolarHBondContact O-CG 3.33Å; R702-Y704 PolarHBondContact O-N 2.9Å; R702-H709 PolarHBondContact O-CE1 3.46Å; R702-H709 PolarHBondContact O-ND1 2.84Å; R702-L889 VanDerWaalsContact CZ-CD2 3.41Å
703	D	94.1	Very high	94.6	Very high	68 Å²	68	37.5 Å²	37.5	36%	0.364	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-46.7	-170.5	-54.3	-39.7	0	0	0	113.5	R662 T688 V701	R662-D703 PolarHBondContact NH2-O 2.87Å; T688-D703 HydrophobicContact CG2-CB 4.05Å; T688-D703 VanDerWaalsContact CG2-OD2 3.23Å; T688-D703 WeakPolarHBondContact CG2-OD2 3.32Å; T688-D703 PolarHBondContact OG1-OD2 3.3Å; V701-D703 PolarHBondContact O-N 3.4Å
704	Y	96.7	Very high	94.8	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.02	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-42	-171.9	-44.1	-62.5	0	0	0	113.9	R662 I663 N666 S684 F685 T688 R702	R662-Y704 PolarHBondContact NH1-O 3.48Å; I663-Y704 HydrophobicContact CG1-CD1 3.98Å; I663-Y704 HydrophobicContact CG1-CG 4.03Å; N666-Y704 HydrophobicContact CB-CE1 3.72Å; S684-Y704 PolarHBondContact OG-OH 3Å; F685-Y704 HydrophobicContact CB-CE2 4.23Å; F685-Y704 AromaticContact CD2-CD2 3.85Å; F685-Y704 HydrophobicContact CD2-CD2 3.85Å; F685-Y704 AromaticContact CD2-CE2 3.68Å; F685-Y704 HydrophobicContact CD2-CE2 3.68Å; F685-Y704 HydrophobicContact CD2-CG 4.42Å; F685-Y704 HydrophobicContact CE2-CD2 4.29Å; F685-Y704 HydrophobicContact CG-CE2 4.4Å; T688-Y704 HydrophobicContact CG2-CD2 3.74Å; T688-Y704 HydrophobicContact CG2-CE2 3.83Å; R702-Y704 PolarHBondContact O-N 2.9Å
705	F	97	Very high	94.9	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-5.7	-161	-51.2	-71.2	0	0	0	114.7	I635 Y655 V659 F685 T688 L689 L692 I698 V701 Y707	I635-F705 HydrophobicContact CD1-CD1 4.05Å; I635-F705 HydrophobicContact CD1-CE1 3.63Å; I635-F705 HydrophobicContact CD1-CZ 4.11Å; Y655-F705 PolarHBondContact OH-O 3.3Å; V659-F705 HydrophobicContact CG1-CD1 3.55Å; V659-F705 HydrophobicContact CG1-CE1 3.63Å; V659-F705 HydrophobicContact CG2-CD1 4.48Å; F685-F705 HydrophobicContact CE2-CZ 4.04Å; T688-F705 HydrophobicContact CG2-CD2 4.41Å; T688-F705 HydrophobicContact CG2-CE2 4.2Å; L689-F705 HydrophobicContact CD1-CE2 4.27Å; L689-F705 HydrophobicContact CD1-CZ 3.94Å; L692-F705 HydrophobicContact CD1-CB 4.35Å; L692-F705 HydrophobicContact CD1-CD2 4.15Å; L692-F705 HydrophobicContact CD1-CG 4.43Å; L692-F705 HydrophobicContact CD2-CD1 4.38Å; L692-F705 HydrophobicContact CD2-CD2 3.79Å; L692-F705 HydrophobicContact CD2-CE2 3.95Å; L692-F705 HydrophobicContact CD2-CG 4.02Å; L692-F705 HydrophobicContact CD2-CZ 4.33Å; L692-F705 HydrophobicContact CG-CD2 4.47Å; I698-F705 HydrophobicContact CD1-CB 3.91Å; I698-F705 WeakPolarHBondContact CD1-O 3.39Å; I698-F705 HydrophobicContact CG1-CB 3.88Å; I698-F705 WeakPolarHBondContact CG1-O 3.31Å; V701-F705 HydrophobicContact CG1-CD2 4.3Å; F705-Y707 PolarHBondContact O-N 3.14Å
706	S	95.2	Very high	95	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	14%	0.139	C	C	.	.			trans	-52.1	123.9	179.5	165.9	0	0	0	0	112.1	V701 E708 H709 F710	V701-S706 PolarHBondContact O-N 2.87Å; S706-E708 PolarHBondContact OG-N 3.08Å; S706-H709 PolarHBondContact OG-CD2 3Å; S706-H709 PolarHBondContact OG-N 2.86Å; S706-F710 PolarHBondContact O-N 3.06Å
707	Y	95.1	Very high	95.1	Very high	12 Å²	12	22.5 Å²	22.5	5%	0.047	11%	0.107	C	C	.	.	H	α-helix	trans	-70.4	-36.3	176.1	-179.8	-92.8	0	0	0	111.2	L642 L645 Y655 N699 F705 H709 F710 Y711	L642-Y707 HydrophobicContact CD2-CD2 4.08Å; L645-Y707 HydrophobicContact CB-CD2 4.43Å; L645-Y707 HydrophobicContact CB-CE2 4.07Å; L645-Y707 HydrophobicContact CD1-CE2 4.16Å; Y655-Y707 HydrophobicContact CD2-CD2 4.37Å; Y655-Y707 HydrophobicContact CE2-CD2 4.33Å; N699-Y707 WeakPolarHBondContact OD1-CA 3.38Å; N699-Y707 WeakPolarHBondContact OD1-CB 3.49Å; N699-Y707 PolarHBondContact OD1-N 3.04Å; F705-Y707 PolarHBondContact O-N 3.14Å; Y707-H709 VanDerWaalsContact C-N 3.28Å; Y707-H709 PolarHBondContact O-N 2.73Å; Y707-F710 HydrophobicContact CD2-CD1 4.07Å; Y707-F710 AromaticContact CE2-CD1 3.91Å; Y707-F710 HydrophobicContact CE2-CD1 3.91Å; Y707-F710 HydrophobicContact CE2-CE1 4.14Å; Y707-F710 WeakPolarHBondContact O-CB 3.37Å; Y707-F710 PolarHBondContact O-N 3.04Å; Y707-Y711 HydrophobicContact CE1-CD2 4.48Å; Y707-Y711 WeakPolarHBondContact O-CB 3.37Å; Y707-Y711 PolarHBondContact O-N 2.96Å
708	E	94.8	Very high	95.2	Very high	43 Å²	43	23.7 Å²	23.7	20%	0.201	11%	0.107	C	C	.	.	H	α-helix	trans	-57.7	-42.6	175.1	-66.4	-178.9	168.1	0	0	111.5	N699 S706 Y711 V712 Y901	N699-E708 HydrophobicContact CB-CG 4.24Å; N699-E708 PolarHBondContact OD1-N 3.27Å; N699-E708 VanDerWaalsContact OD1-N 3.13Å; S706-E708 PolarHBondContact OG-N 3.08Å; E708-Y711 WeakPolarHBondContact O-CB 2.97Å; E708-Y711 PolarHBondContact O-N 3.43Å; E708-V712 WeakPolarHBondContact O-CG2 3.39Å; E708-V712 PolarHBondContact O-N 3.06Å; E708-Y901 HydrophobicContact CB-CD1 4.33Å; E708-Y901 HydrophobicContact CB-CD2 4.15Å; E708-Y901 HydrophobicContact CB-CE2 4.39Å; E708-Y901 HydrophobicContact CB-CG 4.14Å; E708-Y901 HydrophobicContact CG-CD1 3.84Å; E708-Y901 HydrophobicContact CG-CD2 4.24Å; E708-Y901 HydrophobicContact CG-CE1 3.67Å; E708-Y901 HydrophobicContact CG-CE2 4.12Å; E708-Y901 HydrophobicContact CG-CG 4.13Å
709	H	97	Very high	95.2	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-67.4	-42.1	178.8	-66.9	-165.5	0	0	0	111.4	R662 R702 S706 Y707 Y711 V712 I713 W893 D894	R662-H709 VanDerWaalsContact CZ-ND1 3.29Å; R662-H709 PolarHBondContact NH1-ND1 3.21Å; R662-H709 VanDerWaalsContact NH1-ND1 3.15Å; R662-H709 PolarHBondContact NH2-ND1 2.74Å; R702-H709 PolarHBondContact O-CE1 3.46Å; R702-H709 PolarHBondContact O-ND1 2.84Å; S706-H709 PolarHBondContact OG-CD2 3Å; S706-H709 PolarHBondContact OG-N 2.86Å; Y707-H709 VanDerWaalsContact C-N 3.28Å; Y707-H709 PolarHBondContact O-N 2.73Å; H709-Y711 VanDerWaalsContact C-N 3.3Å; H709-Y711 PolarHBondContact O-N 2.61Å; H709-V712 PolarHBondContact O-N 3.2Å; H709-I713 WeakPolarHBondContact O-CD1 3.26Å; H709-I713 VanDerWaalsContact O-CG1 3.24Å; H709-I713 WeakPolarHBondContact O-CG1 3.35Å; H709-I713 PolarHBondContact O-N 3.04Å; H709-I713 VanDerWaalsContact O-N 3.08Å; H709-W893 HydrophobicContact CB-CZ2 4.21Å; H709-W893 AromaticContact CE1-CD1 3.7Å; H709-W893 AromaticContact CE1-NE1 3.35Å; H709-W893 PolarHBondContact CE1-NE1 2.9Å; H709-W893 AromaticContact CG-NE1 3.51Å; H709-W893 AromaticContact ND1-CD1 3.73Å; H709-W893 AromaticContact ND1-NE1 2.97Å; H709-W893 PolarHBondContact ND1-NE1 2.75Å; H709-D894 IonicContact CE1-OD1 2.86Å; H709-D894 PolarHBondContact CE1-OD1 3.15Å; H709-D894 IonicContact NE2-OD1 2.84Å
710	F	97.2	Very high	95.2	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.013	13%	0.126	C	C	.	.	H	α-helix	trans	-56.6	-47.6	172.3	159.2	-107.3	0	0	0	111.1	F651 Y655 T658 S706 Y707 V712 I713 Y714	F651-F710 HydrophobicContact CB-CE1 4.37Å; F651-F710 HydrophobicContact CB-CZ 4.08Å; Y655-F710 HydrophobicContact CD2-CB 3.7Å; Y655-F710 AromaticContact CD2-CD1 3.71Å; Y655-F710 HydrophobicContact CD2-CD1 3.71Å; Y655-F710 HydrophobicContact CD2-CD2 4.12Å; Y655-F710 HydrophobicContact CD2-CE1 4.39Å; Y655-F710 AromaticContact CD2-CG 3.54Å; Y655-F710 HydrophobicContact CD2-CG 3.54Å; Y655-F710 HydrophobicContact CE2-CB 4.08Å; Y655-F710 HydrophobicContact CE2-CG 4.39Å; Y655-F710 HydrophobicContact CG-CG 4.38Å; T658-F710 HydrophobicContact CG2-CB 4.33Å; T658-F710 HydrophobicContact CG2-CD2 4.27Å; T658-F710 WeakPolarHBondContact OG1-CD2 3.1Å; S706-F710 PolarHBondContact O-N 3.06Å; Y707-F710 HydrophobicContact CD2-CD1 4.07Å; Y707-F710 AromaticContact CE2-CD1 3.91Å; Y707-F710 HydrophobicContact CE2-CD1 3.91Å; Y707-F710 HydrophobicContact CE2-CE1 4.14Å; Y707-F710 WeakPolarHBondContact O-CB 3.37Å; Y707-F710 PolarHBondContact O-N 3.04Å; F710-V712 PolarHBondContact O-N 2.83Å; F710-I713 PolarHBondContact O-N 2.88Å; F710-Y714 HydrophobicContact CE2-CD2 4.31Å; F710-Y714 HydrophobicContact CE2-CG 4.28Å; F710-Y714 HydrophobicContact CZ-CD2 4.38Å; F710-Y714 HydrophobicContact CZ-CG 4.17Å; F710-Y714 VanDerWaalsContact O-CB 3.31Å; F710-Y714 WeakPolarHBondContact O-CB 3.37Å; F710-Y714 PolarHBondContact O-N 3.19Å
711	Y	95.3	Very high	95.3	Very high	12 Å²	12	23.5 Å²	23.5	5%	0.047	10%	0.102	C	C	.	.	H	α-helix	trans	-59.5	-48.1	-178.3	-167.7	-102.1	0	0	0	111.7	V423 I427 Y707 E708 H709 I713 Y714 C715 Y901 F904 E908	V423-Y711 HydrophobicContact CG1-CE2 3.79Å; I427-Y711 HydrophobicContact CD1-CE2 3.79Å; Y707-Y711 HydrophobicContact CE1-CD2 4.48Å; Y707-Y711 WeakPolarHBondContact O-CB 3.37Å; Y707-Y711 PolarHBondContact O-N 2.96Å; E708-Y711 WeakPolarHBondContact O-CB 2.97Å; E708-Y711 PolarHBondContact O-N 3.43Å; H709-Y711 VanDerWaalsContact C-N 3.3Å; H709-Y711 PolarHBondContact O-N 2.61Å; Y711-I713 PolarHBondContact O-N 3.42Å; Y711-Y714 PolarHBondContact O-N 3.05Å; Y711-C715 VanDerWaalsContact CE1-SG 3.53Å; Y711-C715 VanDerWaalsContact O-CB 3.31Å; Y711-C715 WeakPolarHBondContact O-CB 3.16Å; Y711-C715 PolarHBondContact O-N 2.83Å; Y711-C715 PolarHBondContact O-SG 3.19Å; Y711-Y901 AromaticContact CD1-CD2 3.62Å; Y711-Y901 HydrophobicContact CD1-CD2 3.62Å; Y711-Y901 AromaticContact CD1-CE2 3.64Å; Y711-Y901 HydrophobicContact CD1-CE2 3.64Å; Y711-Y901 HydrophobicContact CE1-CD2 4.45Å; Y711-Y901 HydrophobicContact CE1-CE2 4.32Å; Y711-Y901 HydrophobicContact CG-CD2 4.2Å; Y711-Y901 AromaticContact CG-CE2 3.95Å; Y711-Y901 HydrophobicContact CG-CE2 3.95Å; Y711-F904 HydrophobicContact CD1-CD2 4.47Å; Y711-F904 HydrophobicContact CE1-CB 3.85Å; Y711-F904 HydrophobicContact CE1-CD2 4.42Å; Y711-F904 HydrophobicContact CE1-CG 4.26Å; Y711-E908 PolarHBondContact OH-OE1 3.02Å
712	V	96.8	Very high	95.1	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-47.8	177.8	171.8	0	0	0	0	111.1	E708 H709 F710 T716 F896 A897 E900 Y901	E708-V712 WeakPolarHBondContact O-CG2 3.39Å; E708-V712 PolarHBondContact O-N 3.06Å; H709-V712 PolarHBondContact O-N 3.2Å; F710-V712 PolarHBondContact O-N 2.83Å; V712-T716 VanDerWaalsContact O-CB 3.29Å; V712-T716 WeakPolarHBondContact O-CB 3.03Å; V712-T716 PolarHBondContact O-N 3.05Å; V712-T716 PolarHBondContact O-OG1 3.32Å; V712-F896 HydrophobicContact CG1-CD1 4.44Å; V712-F896 HydrophobicContact CG1-CE1 3.83Å; V712-A897 WeakPolarHBondContact CG2-O 3.08Å; V712-E900 HydrophobicContact CG1-CB 3.82Å; V712-E900 HydrophobicContact CG1-CG 4.47Å; V712-E900 HydrophobicContact CG2-CB 4.1Å; V712-Y901 HydrophobicContact CG2-CD2 4.46Å
713	I	97.7	Very high	95	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-49.1	178.7	-65.9	165	0	0	0	110.7	T658 H709 F710 Y711 T716 F717 Y767 F770 V771 I774 W893	T658-I713 HydrophobicContact CG2-CD1 3.81Å; H709-I713 WeakPolarHBondContact O-CD1 3.26Å; H709-I713 VanDerWaalsContact O-CG1 3.24Å; H709-I713 WeakPolarHBondContact O-CG1 3.35Å; H709-I713 PolarHBondContact O-N 3.04Å; H709-I713 VanDerWaalsContact O-N 3.08Å; F710-I713 PolarHBondContact O-N 2.88Å; Y711-I713 PolarHBondContact O-N 3.42Å; I713-T716 PolarHBondContact O-N 2.89Å; I713-F717 WeakPolarHBondContact O-CB 3.28Å; I713-F717 PolarHBondContact O-N 3.43Å; I713-Y767 HydrophobicContact CG2-CE2 4.34Å; I713-F770 HydrophobicContact CG2-CD1 4.32Å; I713-F770 HydrophobicContact CG2-CE1 4.36Å; I713-V771 HydrophobicContact CD1-CG1 4.31Å; I713-V771 HydrophobicContact CG2-CG2 3.84Å; I713-I774 HydrophobicContact CG1-CG2 4Å; I713-I774 HydrophobicContact CG2-CG2 4.24Å; I713-W893 HydrophobicContact CD1-CH2 3.96Å; I713-W893 HydrophobicContact CD1-CZ2 3.84Å; I713-W893 HydrophobicContact CG1-CH2 3.56Å; I713-W893 HydrophobicContact CG1-CZ2 3.87Å
714	Y	96	Very high	94.7	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-48.5	-178.4	-177.1	-98.8	0	0	0	112.4	I427 E431 R433 F651 T654 F710 Y711 T716 F717 W718 Y767	I427-Y714 HydrophobicContact CG2-CE1 4.36Å; E431-Y714 PolarHBondContact OE1-OH 3.3Å; R433-Y714 PolarHBondContact NH1-OH 3.4Å; F651-Y714 HydrophobicContact CD1-CE1 4.18Å; F651-Y714 AromaticContact CE1-CE1 3.84Å; F651-Y714 HydrophobicContact CE1-CE1 3.84Å; F651-Y714 AromaticContact CE1-CZ 3.84Å; T654-Y714 HydrophobicContact CG2-CD2 4.28Å; T654-Y714 HydrophobicContact CG2-CE2 3.97Å; F710-Y714 HydrophobicContact CE2-CD2 4.31Å; F710-Y714 HydrophobicContact CE2-CG 4.28Å; F710-Y714 HydrophobicContact CZ-CD2 4.38Å; F710-Y714 HydrophobicContact CZ-CG 4.17Å; F710-Y714 VanDerWaalsContact O-CB 3.31Å; F710-Y714 WeakPolarHBondContact O-CB 3.37Å; F710-Y714 PolarHBondContact O-N 3.19Å; Y711-Y714 PolarHBondContact O-N 3.05Å; Y714-T716 VanDerWaalsContact C-N 3.28Å; Y714-T716 PolarHBondContact O-N 2.85Å; Y714-F717 WeakPolarHBondContact O-CB 3.27Å; Y714-F717 PolarHBondContact O-N 3.31Å; Y714-W718 VanDerWaalsContact O-CB 3.31Å; Y714-W718 WeakPolarHBondContact O-CB 3.35Å; Y714-W718 PolarHBondContact O-N 2.6Å; Y714-Y767 HydrophobicContact CD2-CE2 4.24Å
715	C	95	Very high	94.4	Very high	18 Å²	18	33.9 Å²	33.9	12%	0.122	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-35	178.4	-70.2	0	0	0	0	112	Y711 R719 F904	Y711-C715 VanDerWaalsContact CE1-SG 3.53Å; Y711-C715 VanDerWaalsContact O-CB 3.31Å; Y711-C715 WeakPolarHBondContact O-CB 3.16Å; Y711-C715 PolarHBondContact O-N 2.83Å; Y711-C715 PolarHBondContact O-SG 3.19Å; C715-R719 VanDerWaalsContact O-CG 3.26Å; C715-R719 WeakPolarHBondContact O-CG 2.82Å; C715-R719 PolarHBondContact O-N 3.37Å; C715-R719 VanDerWaalsContact O-N 3.15Å; C715-F904 HydrophobicContact CB-CD1 4.29Å; C715-F904 HydrophobicContact CB-CD2 4.27Å; C715-F904 HydrophobicContact CB-CE1 3.82Å; C715-F904 HydrophobicContact CB-CE2 3.8Å; C715-F904 HydrophobicContact CB-CZ 3.55Å
716	T	95.8	Very high	94	Very high	17 Å²	17	35.4 Å²	35.4	10%	0.104	16%	0.162	C	C	.	.	H	α-helix	trans	-69.3	-44	176.8	-52.2	0	0	0	0	110.8	V712 I713 Y714 R719 L720 Y736 F770 I774	V712-T716 VanDerWaalsContact O-CB 3.29Å; V712-T716 WeakPolarHBondContact O-CB 3.03Å; V712-T716 PolarHBondContact O-N 3.05Å; V712-T716 PolarHBondContact O-OG1 3.32Å; I713-T716 PolarHBondContact O-N 2.89Å; Y714-T716 VanDerWaalsContact C-N 3.28Å; Y714-T716 PolarHBondContact O-N 2.85Å; T716-R719 PolarHBondContact O-N 2.89Å; T716-L720 WeakPolarHBondContact O-CG 3.44Å; T716-Y736 HydrophobicContact CG2-CD2 4.41Å; T716-Y736 HydrophobicContact CG2-CE2 3.86Å; T716-F770 HydrophobicContact CG2-CZ 4.03Å; T716-I774 HydrophobicContact CG2-CD1 3.84Å
717	F	95.6	Very high	93.9	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-59	-50	173.6	-178.9	-89	0	0	0	111.7	I713 Y714 R719 L720 D721 L726 I728 Y767 F770	I713-F717 WeakPolarHBondContact O-CB 3.28Å; I713-F717 PolarHBondContact O-N 3.43Å; Y714-F717 WeakPolarHBondContact O-CB 3.27Å; Y714-F717 PolarHBondContact O-N 3.31Å; F717-R719 PolarHBondContact O-N 2.93Å; F717-L720 PolarHBondContact O-N 3.48Å; F717-D721 HydrophobicContact CD1-CB 4.1Å; F717-D721 HydrophobicContact CE1-CB 3.66Å; F717-D721 WeakPolarHBondContact CE1-OD2 3.43Å; F717-D721 HydrophobicContact CZ-CB 4.17Å; F717-D721 PolarHBondContact O-N 3.33Å; F717-L726 HydrophobicContact CE1-CD2 4.09Å; F717-L726 VanDerWaalsContact CZ-C 3.48Å; F717-I728 HydrophobicContact CD2-CD1 4.34Å; F717-I728 HydrophobicContact CD2-CG1 3.79Å; F717-I728 HydrophobicContact CE2-CB 4.49Å; F717-I728 HydrophobicContact CE2-CD1 4.09Å; F717-I728 HydrophobicContact CE2-CG1 3.33Å; F717-I728 HydrophobicContact CZ-CD1 4.29Å; F717-I728 HydrophobicContact CZ-CG1 3.86Å; F717-Y767 HydrophobicContact CB-CD2 4.13Å; F717-Y767 HydrophobicContact CB-CE2 3.96Å; F717-Y767 AromaticContact CD1-CD2 3.81Å; F717-Y767 HydrophobicContact CD1-CD2 3.81Å; F717-Y767 HydrophobicContact CD1-CE2 4.26Å; F717-Y767 AromaticContact CD2-CD2 3.63Å; F717-Y767 HydrophobicContact CD2-CD2 3.63Å; F717-Y767 HydrophobicContact CD2-CE2 4.29Å; F717-Y767 HydrophobicContact CE1-CD2 4.12Å; F717-Y767 AromaticContact CE2-CD2 3.9Å; F717-Y767 HydrophobicContact CE2-CD2 3.9Å; F717-Y767 AromaticContact CG-CD2 3.57Å; F717-Y767 HydrophobicContact CG-CD2 3.57Å; F717-Y767 AromaticContact CG-CE2 3.91Å; F717-Y767 HydrophobicContact CG-CE2 3.91Å; F717-Y767 HydrophobicContact CZ-CD2 4.16Å; F717-F770 HydrophobicContact CB-CD1 3.81Å; F717-F770 HydrophobicContact CB-CE1 3.7Å; F717-F770 HydrophobicContact CB-CZ 4.38Å; F717-F770 HydrophobicContact CD2-CB 3.72Å; F717-F770 AromaticContact CD2-CD1 3.57Å; F717-F770 HydrophobicContact CD2-CD1 3.57Å; F717-F770 HydrophobicContact CD2-CD2 4.18Å; F717-F770 HydrophobicContact CD2-CE1 4.21Å; F717-F770 AromaticContact CD2-CG 3.55Å; F717-F770 HydrophobicContact CD2-CG 3.55Å; F717-F770 HydrophobicContact CE2-CB 4Å; F717-F770 HydrophobicContact CE2-CG 4.27Å; F717-F770 HydrophobicContact CG-CD1 4.18Å; F717-F770 HydrophobicContact CG-CE1 4.49Å
718	W	93.7	Very high	93.8	Very high	91 Å²	91	37 Å²	37	35%	0.345	17%	0.169	S	C	.	.	H	α-helix	trans	-59.8	-32.2	-178.1	-173.2	90.9	0	0	0	112.8	Y714 L720 H724	Y714-W718 VanDerWaalsContact O-CB 3.31Å; Y714-W718 WeakPolarHBondContact O-CB 3.35Å; Y714-W718 PolarHBondContact O-N 2.6Å; W718-L720 VanDerWaalsContact C-N 3.27Å; W718-L720 PolarHBondContact O-N 3.17Å; W718-H724 AromaticContact CD1-CE1 3.91Å; W718-H724 AromaticContact CD1-ND1 3.82Å; W718-H724 AromaticContact CD2-CE1 3.88Å; W718-H724 AromaticContact CE2-CE1 3.22Å; W718-H724 AromaticContact CE2-ND1 3.9Å; W718-H724 AromaticContact CE2-NE2 3.75Å; W718-H724 AromaticContact CZ2-CE1 3.39Å; W718-H724 WeakPolarHBondContact CZ2-CE1 3.37Å; W718-H724 AromaticContact CZ2-NE2 3.49Å; W718-H724 WeakPolarHBondContact CZ2-NE2 3.47Å; W718-H724 AromaticContact NE1-CE1 3.26Å; W718-H724 PolarHBondContact NE1-CE1 2.81Å; W718-H724 VanDerWaalsContact NE1-CE1 3.26Å; W718-H724 AromaticContact NE1-ND1 3.47Å; W718-H724 PolarHBondContact NE1-ND1 3.06Å; W718-H724 AromaticContact NE1-NE2 3.83Å
719	R	93.4	Very high	93.6	Very high	128 Å²	128	36 Å²	36	48%	0.483	17%	0.167	S	C	.	.	H	α-helix	trans	-71	-19.9	175.3	-76.2	175.5	66.9	-172.3	-2.9	113.9	C715 T716 F717	C715-R719 VanDerWaalsContact O-CG 3.26Å; C715-R719 WeakPolarHBondContact O-CG 2.82Å; C715-R719 PolarHBondContact O-N 3.37Å; C715-R719 VanDerWaalsContact O-N 3.15Å; T716-R719 PolarHBondContact O-N 2.89Å; F717-R719 PolarHBondContact O-N 2.93Å
720	L	94.5	Very high	93.4	Very high	12 Å²	12	39.9 Å²	39.9	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-98.2	-35.1	178.3	-59.1	170.1	0	0	0	111.4	T716 F717 W718 F722 I728 D732 M735 Y736 F770	T716-L720 WeakPolarHBondContact O-CG 3.44Å; F717-L720 PolarHBondContact O-N 3.48Å; W718-L720 VanDerWaalsContact C-N 3.27Å; W718-L720 PolarHBondContact O-N 3.17Å; L720-F722 WeakPolarHBondContact O-CD2 3.36Å; L720-F722 PolarHBondContact O-N 3.41Å; L720-F722 VanDerWaalsContact O-N 3.13Å; L720-I728 HydrophobicContact CB-CD1 3.49Å; L720-I728 VanDerWaalsContact CB-CD1 3.49Å; L720-D732 WeakPolarHBondContact O-CB 3.38Å; L720-M735 HydrophobicContact CD2-CB 4.23Å; L720-Y736 HydrophobicContact CD1-CD2 4.04Å; L720-F770 HydrophobicContact CD1-CE2 3.6Å; L720-F770 HydrophobicContact CD1-CZ 3.98Å
721	D	93.3	Very high	93.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.209	C	C	.	.			trans	-80.3	82.6	178.4	178.4	11.1	0	0	0	110.3	F717 D723 H724 D725 L726 I728	F717-D721 HydrophobicContact CD1-CB 4.1Å; F717-D721 HydrophobicContact CE1-CB 3.66Å; F717-D721 WeakPolarHBondContact CE1-OD2 3.43Å; F717-D721 HydrophobicContact CZ-CB 4.17Å; F717-D721 PolarHBondContact O-N 3.33Å; D721-D723 VanDerWaalsContact OD1-OD1 3.04Å; D721-H724 VanDerWaalsContact CG-CA 3.43Å; D721-H724 PolarHBondContact O-CE1 2.67Å; D721-H724 PolarHBondContact O-N 3.44Å; D721-H724 PolarHBondContact O-ND1 3.28Å; D721-H724 WeakPolarHBondContact OD1-CA 3.32Å; D721-H724 PolarHBondContact OD1-N 3.15Å; D721-H724 VanDerWaalsContact OD2-C 3.29Å; D721-H724 VanDerWaalsContact OD2-CA 3.24Å; D721-H724 WeakPolarHBondContact OD2-CA 3.4Å; D721-D725 PolarHBondContact OD1-N 3.06Å; D721-D725 VanDerWaalsContact OD1-N 3.12Å; D721-D725 PolarHBondContact OD2-N 3.22Å; D721-L726 WeakPolarHBondContact OD2-CA 3.12Å; D721-L726 PolarHBondContact OD2-N 2.99Å; D721-I728 HydrophobicContact CB-CD1 3.66Å; D721-I728 VanDerWaalsContact N-CD1 3.32Å
722	F	89.4	Confident	93.2	Very high	137 Å²	137	44 Å²	44	60%	0.601	21%	0.213	S	C	*	.	S	Bend	trans	-72.5	-29.8	-176.3	-73.2	-83.1	0	0	0	114.3	L720 H724 M735	L720-F722 WeakPolarHBondContact O-CD2 3.36Å; L720-F722 PolarHBondContact O-N 3.41Å; L720-F722 VanDerWaalsContact O-N 3.13Å; F722-H724 VanDerWaalsContact C-N 3.32Å; F722-M735 HydrophobicContact CD2-CE 3.94Å; F722-M735 HydrophobicContact CE2-CE 3.37Å; F722-M735 HydrophobicContact CE2-SD 3.89Å; F722-M735 HydrophobicContact CZ-CE 4.38Å; F722-M735 HydrophobicContact CZ-SD 4.37Å
723	D	90.9	Very high	93.1	Very high	101 Å²	101	44 Å²	44	54%	0.54	21%	0.213	S	C	.	.	S	Bend	trans	-87.4	-5.3	175.3	59.7	-16	0	0	0	112.8	D721 D725	D721-D723 VanDerWaalsContact OD1-OD1 3.04Å; D723-D725 PolarHBondContact O-N 3.41Å
724	H	89.4	Confident	92.9	Very high	72 Å²	72	45.8 Å²	45.8	33%	0.333	23%	0.225	S	C	.	.			trans	59.4	29.7	174.6	-60.1	-42.1	0	0	0	113.3	R433 W718 D721 F722 L726	R433-H724 PolarHBondContact NH2-O 2.95Å; W718-H724 AromaticContact CD1-CE1 3.91Å; W718-H724 AromaticContact CD1-ND1 3.82Å; W718-H724 AromaticContact CD2-CE1 3.88Å; W718-H724 AromaticContact CE2-CE1 3.22Å; W718-H724 AromaticContact CE2-ND1 3.9Å; W718-H724 AromaticContact CE2-NE2 3.75Å; W718-H724 AromaticContact CZ2-CE1 3.39Å; W718-H724 WeakPolarHBondContact CZ2-CE1 3.37Å; W718-H724 AromaticContact CZ2-NE2 3.49Å; W718-H724 WeakPolarHBondContact CZ2-NE2 3.47Å; W718-H724 AromaticContact NE1-CE1 3.26Å; W718-H724 PolarHBondContact NE1-CE1 2.81Å; W718-H724 VanDerWaalsContact NE1-CE1 3.26Å; W718-H724 AromaticContact NE1-ND1 3.47Å; W718-H724 PolarHBondContact NE1-ND1 3.06Å; W718-H724 AromaticContact NE1-NE2 3.83Å; D721-H724 VanDerWaalsContact CG-CA 3.43Å; D721-H724 PolarHBondContact O-CE1 2.67Å; D721-H724 PolarHBondContact O-N 3.44Å; D721-H724 PolarHBondContact O-ND1 3.28Å; D721-H724 WeakPolarHBondContact OD1-CA 3.32Å; D721-H724 PolarHBondContact OD1-N 3.15Å; D721-H724 VanDerWaalsContact OD2-C 3.29Å; D721-H724 VanDerWaalsContact OD2-CA 3.24Å; D721-H724 WeakPolarHBondContact OD2-CA 3.4Å; F722-H724 VanDerWaalsContact C-N 3.32Å; H724-L726 VanDerWaalsContact C-N 3.3Å
725	D	89.3	Confident	92.9	Very high	56 Å²	56	48.2 Å²	48.2	30%	0.299	24%	0.238	S	C	.	.	S	Bend	trans	-85.8	0.5	-176.3	83.2	-11	0	0	0	113.5	D721 D723 F727 K764	D721-D725 PolarHBondContact OD1-N 3.06Å; D721-D725 VanDerWaalsContact OD1-N 3.12Å; D721-D725 PolarHBondContact OD2-N 3.22Å; D723-D725 PolarHBondContact O-N 3.41Å; D725-F727 VanDerWaalsContact C-N 3.28Å; D725-F727 VanDerWaalsContact O-CD2 3.24Å; D725-F727 WeakPolarHBondContact O-CD2 3.44Å; D725-F727 WeakPolarHBondContact OD1-CA 3.46Å; D725-F727 VanDerWaalsContact OD1-CB 3.27Å; D725-F727 WeakPolarHBondContact OD1-CB 3.45Å; D725-F727 PolarHBondContact OD1-N 3.42Å; D725-K764 IonicContact OD2-NZ 3.94Å; D725-K764 PolarHBondContact OD2-NZ 3.26Å
726	L	89.4	Confident	92.9	Very high	33 Å²	33	47.9 Å²	47.9	17%	0.173	23%	0.234	C	C	.	.	S	Bend	trans	67.9	23.4	-174.6	-60.8	171.8	0	0	0	114.4	T437 F717 D721 H724 Y767	T437-L726 HydrophobicContact CG2-CD1 3.89Å; F717-L726 HydrophobicContact CE1-CD2 4.09Å; F717-L726 VanDerWaalsContact CZ-C 3.48Å; D721-L726 WeakPolarHBondContact OD2-CA 3.12Å; D721-L726 PolarHBondContact OD2-N 2.99Å; H724-L726 VanDerWaalsContact C-N 3.3Å; L726-Y767 PolarHBondContact O-N 2.77Å
727	F	92.5	Very high	92.7	Very high	46 Å²	46	50.3 Å²	50.3	20%	0.202	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.6	170.5	-62.9	-89	0	0	0	112.4	D725 E760 K764 M765	D725-F727 VanDerWaalsContact C-N 3.28Å; D725-F727 VanDerWaalsContact O-CD2 3.24Å; D725-F727 WeakPolarHBondContact O-CD2 3.44Å; D725-F727 WeakPolarHBondContact OD1-CA 3.46Å; D725-F727 VanDerWaalsContact OD1-CB 3.27Å; D725-F727 WeakPolarHBondContact OD1-CB 3.45Å; D725-F727 PolarHBondContact OD1-N 3.42Å; F727-E760 VanDerWaalsContact CE1-OE2 3.3Å; F727-E760 WeakPolarHBondContact CE1-OE2 3.45Å; F727-K764 HydrophobicContact CB-CB 4.02Å; F727-K764 HydrophobicContact CB-CD 3.81Å; F727-K764 HydrophobicContact CB-CG 4.45Å; F727-K764 HydrophobicContact CD1-CB 4.19Å; F727-K764 HydrophobicContact CG-CB 4.4Å; F727-K764 HydrophobicContact CG-CD 4.31Å; F727-M765 CarbonylContact C-O 3.54Å; F727-M765 VanDerWaalsContact CA-O 3.3Å; F727-M765 WeakPolarHBondContact CA-O 3.38Å
728	I	92	Very high	92.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.2	177.6	-68.1	-62.6	0	0	0	108.3	F717 L720 D721 D732 L733 F750 M765	F717-I728 HydrophobicContact CD2-CD1 4.34Å; F717-I728 HydrophobicContact CD2-CG1 3.79Å; F717-I728 HydrophobicContact CE2-CB 4.49Å; F717-I728 HydrophobicContact CE2-CD1 4.09Å; F717-I728 HydrophobicContact CE2-CG1 3.33Å; F717-I728 HydrophobicContact CZ-CD1 4.29Å; F717-I728 HydrophobicContact CZ-CG1 3.86Å; L720-I728 HydrophobicContact CB-CD1 3.49Å; L720-I728 VanDerWaalsContact CB-CD1 3.49Å; D721-I728 HydrophobicContact CB-CD1 3.66Å; D721-I728 VanDerWaalsContact N-CD1 3.32Å; I728-D732 HydrophobicContact CD1-CB 4.12Å; I728-D732 HydrophobicContact CG2-CB 3.89Å; I728-L733 HydrophobicContact CG2-CB 3.89Å; I728-L733 HydrophobicContact CG2-CD1 4.35Å; I728-F750 WeakPolarHBondContact O-CE1 3.3Å; I728-F750 WeakPolarHBondContact O-CZ 3.31Å; I728-M765 HydrophobicContact CB-CB 4.33Å; I728-M765 PolarHBondContact N-O 3.16Å; I728-M765 WeakPolarHBondContact O-CB 3.35Å; I728-M765 PolarHBondContact O-N 3.46Å
729	S	91.9	Very high	92.4	Very high	23 Å²	23	58.4 Å²	58.4	16%	0.161	29%	0.287	C	S	.	.			trans	-82.5	172.1	171.5	72.9	0	0	0	0	111.7	S731 D732 L733 F750	S729-S731 VanDerWaalsContact C-N 3.27Å; S729-S731 PolarHBondContact O-N 2.53Å; S729-S731 PolarHBondContact OG-N 3.35Å; S729-S731 PolarHBondContact OG-OG 3.24Å; S729-D732 VanDerWaalsContact CB-OD2 3.24Å; S729-D732 WeakPolarHBondContact CB-OD2 3.46Å; S729-D732 PolarHBondContact N-OD2 3.4Å; S729-D732 PolarHBondContact O-N 3.45Å; S729-D732 PolarHBondContact OG-N 3.38Å; S729-D732 PolarHBondContact OG-OD2 2.81Å; S729-L733 PolarHBondContact O-N 3.28Å; S729-F750 VanDerWaalsContact C-CZ 3.41Å; S729-F750 WeakPolarHBondContact O-CZ 3.36Å
730	K	92.8	Very high	92.5	Very high	84 Å²	84	52.4 Å²	52.4	37%	0.365	27%	0.265	S	S	.	.	H	α-helix	trans	-58.4	-39	172.1	-70.1	-178.1	175.2	-172.1	0	112.6	D732 S734 I746 D747 F750	K730-D732 VanDerWaalsContact C-N 3.33Å; K730-S734 WeakPolarHBondContact O-CB 3.44Å; K730-S734 PolarHBondContact O-N 2.98Å; K730-I746 HydrophobicContact CB-CG2 4.03Å; K730-I746 HydrophobicContact CG-CG2 4.09Å; K730-D747 WeakPolarHBondContact CE-OD1 3.4Å; K730-D747 IonicContact NZ-OD1 3.85Å; K730-D747 PolarHBondContact NZ-OD1 3.21Å; K730-F750 HydrophobicContact CB-CE2 4.41Å; K730-F750 HydrophobicContact CD-CB 4.42Å; K730-F750 HydrophobicContact CD-CG 4.44Å; K730-F750 VanDerWaalsContact CE-CB 3.42Å; K730-F750 HydrophobicContact CG-CB 4.14Å; K730-F750 HydrophobicContact CG-CD1 4Å; K730-F750 HydrophobicContact CG-CD2 3.58Å; K730-F750 HydrophobicContact CG-CE1 4.25Å; K730-F750 HydrophobicContact CG-CE2 3.86Å; K730-F750 HydrophobicContact CG-CG 3.64Å; K730-F750 HydrophobicContact CG-CZ 4.19Å
731	S	92.5	Very high	92.6	Very high	76 Å²	76	52.1 Å²	52.1	53%	0.531	26%	0.264	S	S	.	.	H	α-helix	trans	-65.4	-39.7	176.6	35.4	0	0	0	0	111.3	S729 S734	S729-S731 VanDerWaalsContact C-N 3.27Å; S729-S731 PolarHBondContact O-N 2.53Å; S729-S731 PolarHBondContact OG-N 3.35Å; S729-S731 PolarHBondContact OG-OG 3.24Å; S731-S734 WeakPolarHBondContact O-CB 3.5Å; S731-S734 PolarHBondContact O-N 3.46Å; S731-S734 PolarHBondContact O-OG 3.41Å
732	D	94.5	Very high	92.7	Very high	25 Å²	25	52.1 Å²	52.1	13%	0.134	26%	0.264	C	S	.	.	H	α-helix	trans	-65.7	-48.4	178.2	-55	-33.9	0	0	0	110.5	L720 I728 S729 K730 S734 M735	L720-D732 WeakPolarHBondContact O-CB 3.38Å; I728-D732 HydrophobicContact CD1-CB 4.12Å; I728-D732 HydrophobicContact CG2-CB 3.89Å; S729-D732 VanDerWaalsContact CB-OD2 3.24Å; S729-D732 WeakPolarHBondContact CB-OD2 3.46Å; S729-D732 PolarHBondContact N-OD2 3.4Å; S729-D732 PolarHBondContact O-N 3.45Å; S729-D732 PolarHBondContact OG-N 3.38Å; S729-D732 PolarHBondContact OG-OD2 2.81Å; K730-D732 VanDerWaalsContact C-N 3.33Å; D732-S734 PolarHBondContact O-N 2.86Å; D732-M735 HydrophobicContact CB-CE 4.47Å; D732-M735 WeakPolarHBondContact O-CB 3.24Å; D732-M735 PolarHBondContact O-N 3.41Å; D732-M735 VanDerWaalsContact O-N 3.07Å
733	L	95	Very high	93	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-30.8	177.6	-166.4	65.9	0	0	0	112.5	I728 S729 M735 Y736 I746 I749 F750 M765 F770 F773	I728-L733 HydrophobicContact CG2-CB 3.89Å; I728-L733 HydrophobicContact CG2-CD1 4.35Å; S729-L733 PolarHBondContact O-N 3.28Å; L733-M735 PolarHBondContact O-N 3.41Å; L733-Y736 WeakPolarHBondContact O-CB 3.37Å; L733-Y736 PolarHBondContact O-N 3.41Å; L733-I746 HydrophobicContact CD2-CG1 4.44Å; L733-I746 HydrophobicContact CD2-CG2 4.43Å; L733-I749 HydrophobicContact CD2-CD1 4.13Å; L733-I749 HydrophobicContact CD2-CG2 4.11Å; L733-F750 HydrophobicContact CB-CE2 4Å; L733-F750 HydrophobicContact CB-CZ 4.43Å; L733-F750 HydrophobicContact CD2-CD2 4.32Å; L733-F750 HydrophobicContact CD2-CE2 3.59Å; L733-F750 HydrophobicContact CD2-CZ 4.5Å; L733-F750 HydrophobicContact CG-CE2 4.43Å; L733-M765 HydrophobicContact CD2-CE 3.98Å; L733-F770 HydrophobicContact CD1-CE2 4.44Å; L733-F773 HydrophobicContact CD1-CD1 3.91Å; L733-F773 HydrophobicContact CD1-CE1 3.53Å; L733-F773 HydrophobicContact CD1-CE2 4.25Å; L733-F773 HydrophobicContact CD1-CG 4.43Å; L733-F773 HydrophobicContact CD1-CZ 3.71Å; L733-F773 HydrophobicContact CD2-CE2 4.36Å; L733-F773 HydrophobicContact CG-CZ 4.44Å
734	S	95.1	Very high	93.2	Very high	37 Å²	37	47 Å²	47	26%	0.259	24%	0.243	S	C	.	.	H	α-helix	trans	-61.3	-25.7	177.2	80	0	0	0	0	113	K730 S731 D732 Y736 Y739	K730-S734 WeakPolarHBondContact O-CB 3.44Å; K730-S734 PolarHBondContact O-N 2.98Å; S731-S734 WeakPolarHBondContact O-CB 3.5Å; S731-S734 PolarHBondContact O-N 3.46Å; S731-S734 PolarHBondContact O-OG 3.41Å; D732-S734 PolarHBondContact O-N 2.86Å; S734-Y736 PolarHBondContact O-N 3.23Å; S734-Y739 WeakPolarHBondContact O-CA 3.49Å; S734-Y739 WeakPolarHBondContact O-CD1 3.49Å
735	M	95.1	Very high	93.5	Very high	56 Å²	56	43.5 Å²	43.5	28%	0.276	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.1	176.7	-65.2	-179.5	-80.1	0	0	113.1	L720 F722 D732 L733 N737 N738 Y739	L720-M735 HydrophobicContact CD2-CB 4.23Å; F722-M735 HydrophobicContact CD2-CE 3.94Å; F722-M735 HydrophobicContact CE2-CE 3.37Å; F722-M735 HydrophobicContact CE2-SD 3.89Å; F722-M735 HydrophobicContact CZ-CE 4.38Å; F722-M735 HydrophobicContact CZ-SD 4.37Å; D732-M735 HydrophobicContact CB-CE 4.47Å; D732-M735 WeakPolarHBondContact O-CB 3.24Å; D732-M735 PolarHBondContact O-N 3.41Å; D732-M735 VanDerWaalsContact O-N 3.07Å; L733-M735 PolarHBondContact O-N 3.41Å; M735-N737 PolarHBondContact O-N 3.44Å; M735-N738 PolarHBondContact O-N 3Å; M735-Y739 HydrophobicContact CB-CE1 4.49Å; M735-Y739 HydrophobicContact CG-CE1 3.74Å
736	Y	95.1	Very high	93.8	Very high	10 Å²	10	41.2 Å²	41.2	4%	0.039	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	127.6	178.9	-175.4	-98.6	0	0	0	111.7	T716 L720 L733 S734 N738 Y739 A740 L741 F773 I774 E777 E778	T716-Y736 HydrophobicContact CG2-CD2 4.41Å; T716-Y736 HydrophobicContact CG2-CE2 3.86Å; L720-Y736 HydrophobicContact CD1-CD2 4.04Å; L733-Y736 WeakPolarHBondContact O-CB 3.37Å; L733-Y736 PolarHBondContact O-N 3.41Å; S734-Y736 PolarHBondContact O-N 3.23Å; Y736-N738 VanDerWaalsContact C-N 3.32Å; Y736-N738 PolarHBondContact O-N 2.93Å; Y736-Y739 PolarHBondContact O-N 3.46Å; Y736-A740 PolarHBondContact O-N 3.44Å; Y736-A740 VanDerWaalsContact O-N 3.11Å; Y736-L741 HydrophobicContact CD1-CD1 4.42Å; Y736-F773 HydrophobicContact CD1-CE1 4.38Å; Y736-F773 HydrophobicContact CD1-CZ 4.03Å; Y736-F773 HydrophobicContact CD2-CE1 4.01Å; Y736-F773 HydrophobicContact CD2-CZ 4.43Å; Y736-F773 HydrophobicContact CE1-CE1 4.44Å; Y736-F773 HydrophobicContact CE1-CZ 4.24Å; Y736-F773 HydrophobicContact CE2-CE1 4.05Å; Y736-F773 HydrophobicContact CG-CE1 4.17Å; Y736-F773 HydrophobicContact CG-CZ 4.14Å; Y736-I774 HydrophobicContact CE2-CG1 4.47Å; Y736-E777 HydrophobicContact CD1-CG 4.48Å; Y736-E777 HydrophobicContact CE1-CG 3.66Å; Y736-E778 VanDerWaalsContact OH-CD 3.27Å; Y736-E778 PolarHBondContact OH-OE1 3.14Å
737	N	91	Very high	94	Very high	69 Å²	69	43.4 Å²	43.4	37%	0.369	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	51.1	179.2	-165.4	37.8	0	0	0	113.3	M735 A740	M735-N737 PolarHBondContact O-N 3.44Å; N737-A740 HydrophobicContact CB-CB 3.92Å; N737-A740 WeakPolarHBondContact O-CB 3.48Å; N737-A740 PolarHBondContact O-N 2.87Å
738	N	90.5	Very high	94	Very high	128 Å²	128	43.9 Å²	43.9	68%	0.684	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	48.5	-179.6	-58.3	-23.2	0	0	0	113.6	M735 Y736	M735-N738 PolarHBondContact O-N 3Å; Y736-N738 VanDerWaalsContact C-N 3.32Å; Y736-N738 PolarHBondContact O-N 2.93Å
739	Y	94	Very high	94.1	Very high	133 Å²	133	43.9 Å²	43.9	52%	0.522	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	49.5	-178	-48.2	-93.2	0	0	0	111.7	S734 M735 Y736 R816	S734-Y739 WeakPolarHBondContact O-CA 3.49Å; S734-Y739 WeakPolarHBondContact O-CD1 3.49Å; M735-Y739 HydrophobicContact CB-CE1 4.49Å; M735-Y739 HydrophobicContact CG-CE1 3.74Å; Y736-Y739 PolarHBondContact O-N 3.46Å; Y739-R816 PolarHBondContact O-NH2 3.42Å
740	A	94.1	Very high	94	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	22%	0.223	C	C	.	.			trans	-72.8	-40.9	-180	0	0	0	0	0	112.5	Y736 N737 R816 R867 E868	Y736-A740 PolarHBondContact O-N 3.44Å; Y736-A740 VanDerWaalsContact O-N 3.11Å; N737-A740 HydrophobicContact CB-CB 3.92Å; N737-A740 WeakPolarHBondContact O-CB 3.48Å; N737-A740 PolarHBondContact O-N 2.87Å; A740-R816 VanDerWaalsContact C-NH2 3.32Å; A740-R816 PolarHBondContact O-NH1 2.95Å; A740-R816 VanDerWaalsContact O-NH1 3.11Å; A740-R816 PolarHBondContact O-NH2 3.5Å; A740-R867 PolarHBondContact O-N 3.37Å; A740-R867 VanDerWaalsContact O-N 3.11Å; A740-E868 HydrophobicContact CB-CB 4.03Å
741	L	96.6	Very high	93.8	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-82.9	147.3	-175.7	-65.3	175.2	0	0	0	113	Y736 I745 I746 I749 F773 R816 N866	Y736-L741 HydrophobicContact CD1-CD1 4.42Å; L741-I745 HydrophobicContact CB-CG2 4.02Å; L741-I745 HydrophobicContact CD2-CG2 4.25Å; L741-I746 HydrophobicContact CB-CD1 4.23Å; L741-I746 HydrophobicContact CB-CG1 4.16Å; L741-I749 HydrophobicContact CD1-CD1 4.43Å; L741-F773 HydrophobicContact CD1-CE2 3.49Å; L741-F773 VanDerWaalsContact CD1-CE2 3.49Å; L741-F773 HydrophobicContact CD1-CZ 3.53Å; L741-R816 VanDerWaalsContact C-NH1 3.28Å; L741-R816 PolarHBondContact O-NH1 3.32Å; L741-R816 PolarHBondContact O-NH2 3.09Å; L741-N866 HydrophobicContact CD2-CB 4.14Å
742	S	95.4	Very high	93.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.			trans	-74.2	152.9	176.2	69.4	0	0	0	0	112.3	R744 I745 I746 R816 L865	S742-R744 VanDerWaalsContact C-N 3.33Å; S742-R744 PolarHBondContact O-N 3.43Å; S742-I745 VanDerWaalsContact O-CG2 3.28Å; S742-I745 WeakPolarHBondContact O-CG2 3.48Å; S742-I745 PolarHBondContact O-N 3.5Å; S742-I745 WeakPolarHBondContact OG-CG2 3.47Å; S742-I745 PolarHBondContact OG-N 3.09Å; S742-I746 VanDerWaalsContact O-CG1 3.3Å; S742-I746 WeakPolarHBondContact O-CG1 3.29Å; S742-I746 PolarHBondContact O-N 3.3Å; S742-R816 VanDerWaalsContact CA-NH1 3.31Å; S742-R816 VanDerWaalsContact N-NH1 3.12Å; S742-L865 PolarHBondContact N-O 2.98Å
743	S	95.2	Very high	92.5	Very high	66 Å²	66	44.1 Å²	44.1	46%	0.462	22%	0.222	S	C	.	.	H	α-helix	trans	-63.5	-39.5	176.5	65.3	0	0	0	0	111.7	I745 I746 D747 E812	S743-I745 VanDerWaalsContact C-N 3.34Å; S743-I745 PolarHBondContact O-N 3.06Å; S743-I746 PolarHBondContact O-N 3.39Å; S743-D747 PolarHBondContact O-N 3.06Å; S743-E812 WeakPolarHBondContact CA-OE1 3.36Å; S743-E812 WeakPolarHBondContact CB-OE1 3.28Å; S743-E812 PolarHBondContact N-OE1 3.32Å; S743-E812 VanDerWaalsContact OG-CD 3.25Å; S743-E812 PolarHBondContact OG-OE1 3.46Å; S743-E812 PolarHBondContact OG-OE2 3.18Å
744	R	95.9	Very high	91.7	Very high	63 Å²	63	44.5 Å²	44.5	24%	0.238	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-42.6	175.3	-73.1	167.9	-169.2	-154.2	6.5	111.5	S742 D747 R748 H808 F809 E811 E812	S742-R744 VanDerWaalsContact C-N 3.33Å; S742-R744 PolarHBondContact O-N 3.43Å; R744-D747 PolarHBondContact O-N 2.85Å; R744-R748 WeakPolarHBondContact O-CG 3.19Å; R744-R748 PolarHBondContact O-N 3.1Å; R744-H808 WeakPolarHBondContact CD-O 3.49Å; R744-H808 PolarHBondContact NH1-CE1 2.94Å; R744-H808 PolarHBondContact NH1-ND1 3.48Å; R744-H808 PolarHBondContact NH1-O 3.32Å; R744-F809 HydrophobicContact CB-CD1 4.16Å; R744-F809 HydrophobicContact CB-CE1 4.15Å; R744-E811 IonicContact CZ-OE2 3.27Å; R744-E811 IonicContact NH1-OE2 2.68Å; R744-E811 PolarHBondContact NH1-OE2 3.22Å; R744-E811 IonicContact NH2-OE2 3.43Å; R744-E811 PolarHBondContact NH2-OE2 2.77Å; R744-E812 WeakPolarHBondContact CB-OE2 3.45Å; R744-E812 VanDerWaalsContact CD-OE2 3.25Å; R744-E812 WeakPolarHBondContact CD-OE2 3.32Å; R744-E812 WeakPolarHBondContact CG-OE2 3.44Å; R744-E812 PolarHBondContact N-OE2 3.12Å; R744-E812 IonicContact NE-OE2 3.66Å
745	I	96	Very high	90.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-73.2	-36	179.2	-160.5	64.1	0	0	0	112.4	L741 S742 S743 D747 R748 I749 W789 C792 F809 L865	L741-I745 HydrophobicContact CB-CG2 4.02Å; L741-I745 HydrophobicContact CD2-CG2 4.25Å; S742-I745 VanDerWaalsContact O-CG2 3.28Å; S742-I745 WeakPolarHBondContact O-CG2 3.48Å; S742-I745 PolarHBondContact O-N 3.5Å; S742-I745 WeakPolarHBondContact OG-CG2 3.47Å; S742-I745 PolarHBondContact OG-N 3.09Å; S743-I745 VanDerWaalsContact C-N 3.34Å; S743-I745 PolarHBondContact O-N 3.06Å; I745-D747 VanDerWaalsContact C-N 3.28Å; I745-D747 PolarHBondContact O-N 3.18Å; I745-R748 HydrophobicContact CD1-CB 4.23Å; I745-R748 WeakPolarHBondContact O-CA 3.26Å; I745-R748 WeakPolarHBondContact O-CB 3.31Å; I745-R748 PolarHBondContact O-N 3.15Å; I745-I749 WeakPolarHBondContact O-CG1 3.46Å; I745-I749 PolarHBondContact O-N 3.28Å; I745-W789 HydrophobicContact CD1-CE3 4.37Å; I745-W789 HydrophobicContact CD1-CZ3 4.35Å; I745-W789 HydrophobicContact CG1-CE3 4.24Å; I745-W789 HydrophobicContact CG1-CZ3 3.77Å; I745-C792 HydrophobicContact CD1-CB 3.64Å; I745-F809 HydrophobicContact CB-CE1 4.47Å; I745-F809 HydrophobicContact CD1-CE1 3.91Å; I745-F809 HydrophobicContact CD1-CZ 4.33Å; I745-L865 HydrophobicContact CB-CD2 4.06Å; I745-L865 HydrophobicContact CD1-CD1 4.22Å; I745-L865 HydrophobicContact CD1-CD2 3.5Å; I745-L865 VanDerWaalsContact CD1-CD2 3.5Å; I745-L865 HydrophobicContact CD1-CG 4.45Å; I745-L865 HydrophobicContact CG1-CD1 4.28Å; I745-L865 HydrophobicContact CG1-CD2 3.71Å; I745-L865 HydrophobicContact CG1-CG 4.4Å
746	I	94.9	Very high	88.8	Confident	8 Å²	8	41.9 Å²	41.9	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-44.1	173.1	-69.1	165	0	0	0	110	K730 L733 L741 S742 S743 R748 I749 F750	K730-I746 HydrophobicContact CB-CG2 4.03Å; K730-I746 HydrophobicContact CG-CG2 4.09Å; L733-I746 HydrophobicContact CD2-CG1 4.44Å; L733-I746 HydrophobicContact CD2-CG2 4.43Å; L741-I746 HydrophobicContact CB-CD1 4.23Å; L741-I746 HydrophobicContact CB-CG1 4.16Å; S742-I746 VanDerWaalsContact O-CG1 3.3Å; S742-I746 WeakPolarHBondContact O-CG1 3.29Å; S742-I746 PolarHBondContact O-N 3.3Å; S743-I746 PolarHBondContact O-N 3.39Å; I746-R748 PolarHBondContact O-N 3.16Å; I746-I749 PolarHBondContact O-N 3.23Å; I746-F750 HydrophobicContact CG2-CD2 4.05Å; I746-F750 HydrophobicContact CG2-CE2 4.18Å; I746-F750 WeakPolarHBondContact O-CD2 3.49Å; I746-F750 PolarHBondContact O-N 2.92Å; I746-F750 VanDerWaalsContact O-N 3.08Å
747	D	93.1	Very high	86.7	Confident	79 Å²	79	45.7 Å²	45.7	42%	0.422	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-36	175.2	-80.1	-23	0	0	0	112.9	K730 S743 R744 I745 S751	K730-D747 WeakPolarHBondContact CE-OD1 3.4Å; K730-D747 IonicContact NZ-OD1 3.85Å; K730-D747 PolarHBondContact NZ-OD1 3.21Å; S743-D747 PolarHBondContact O-N 3.06Å; R744-D747 PolarHBondContact O-N 2.85Å; I745-D747 VanDerWaalsContact C-N 3.28Å; I745-D747 PolarHBondContact O-N 3.18Å; D747-S751 PolarHBondContact O-N 2.96Å
748	R	93.6	Very high	84.9	Confident	56 Å²	56	43.4 Å²	43.4	21%	0.211	22%	0.219	C	C	.	.	H	α-helix	trans	-72.6	-36.7	176	-65	-59.5	-61.6	-179.4	-3	113.1	R744 I745 I746 F750 S751 C792 D794 L795 F809	R744-R748 WeakPolarHBondContact O-CG 3.19Å; R744-R748 PolarHBondContact O-N 3.1Å; I745-R748 HydrophobicContact CD1-CB 4.23Å; I745-R748 WeakPolarHBondContact O-CA 3.26Å; I745-R748 WeakPolarHBondContact O-CB 3.31Å; I745-R748 PolarHBondContact O-N 3.15Å; I746-R748 PolarHBondContact O-N 3.16Å; R748-F750 VanDerWaalsContact C-N 3.33Å; R748-F750 PolarHBondContact O-N 3.21Å; R748-S751 VanDerWaalsContact O-CB 3.27Å; R748-S751 WeakPolarHBondContact O-CB 3.37Å; R748-S751 PolarHBondContact O-N 3.37Å; R748-S751 VanDerWaalsContact O-N 3.08Å; R748-S751 PolarHBondContact O-OG 3.12Å; R748-C792 HydrophobicContact CB-CB 4.18Å; R748-C792 WeakPolarHBondContact CB-O 3.35Å; R748-C792 WeakPolarHBondContact CG-O 3.37Å; R748-C792 PolarHBondContact NE-O 3.17Å; R748-D794 PolarHBondContact NH2-O 3.33Å; R748-L795 HydrophobicContact CG-CD2 4.25Å; R748-F809 HydrophobicContact CG-CE1 4.22Å; R748-F809 HydrophobicContact CG-CZ 4.05Å
749	I	93	Very high	82.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-43.3	174.7	-69.4	164.5	0	0	0	110.7	L733 L741 I745 I746 S751 N755 M765 F773 Y788 W789	L733-I749 HydrophobicContact CD2-CD1 4.13Å; L733-I749 HydrophobicContact CD2-CG2 4.11Å; L741-I749 HydrophobicContact CD1-CD1 4.43Å; I745-I749 WeakPolarHBondContact O-CG1 3.46Å; I745-I749 PolarHBondContact O-N 3.28Å; I746-I749 PolarHBondContact O-N 3.23Å; I749-S751 PolarHBondContact O-N 3.18Å; I749-N755 PolarHBondContact O-ND2 3.09Å; I749-M765 HydrophobicContact CG2-CE 3.26Å; I749-F773 HydrophobicContact CD1-CD2 3.94Å; I749-F773 HydrophobicContact CD1-CE2 3.86Å; I749-Y788 HydrophobicContact CG1-CE1 4.46Å; I749-W789 HydrophobicContact CD1-CH2 4.04Å; I749-W789 HydrophobicContact CD1-CZ3 4.01Å; I749-W789 HydrophobicContact CG1-CZ3 4.26Å
750	F	91.5	Very high	80.5	Confident	18 Å²	18	38.5 Å²	38.5	8%	0.079	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	9.7	175.9	-78.3	-95	0	0	0	113.7	I728 S729 K730 L733 I746 R748 L758 G763 M765	I728-F750 WeakPolarHBondContact O-CE1 3.3Å; I728-F750 WeakPolarHBondContact O-CZ 3.31Å; S729-F750 VanDerWaalsContact C-CZ 3.41Å; S729-F750 WeakPolarHBondContact O-CZ 3.36Å; K730-F750 HydrophobicContact CB-CE2 4.41Å; K730-F750 HydrophobicContact CD-CB 4.42Å; K730-F750 HydrophobicContact CD-CG 4.44Å; K730-F750 VanDerWaalsContact CE-CB 3.42Å; K730-F750 HydrophobicContact CG-CB 4.14Å; K730-F750 HydrophobicContact CG-CD1 4Å; K730-F750 HydrophobicContact CG-CD2 3.58Å; K730-F750 HydrophobicContact CG-CE1 4.25Å; K730-F750 HydrophobicContact CG-CE2 3.86Å; K730-F750 HydrophobicContact CG-CG 3.64Å; K730-F750 HydrophobicContact CG-CZ 4.19Å; L733-F750 HydrophobicContact CB-CE2 4Å; L733-F750 HydrophobicContact CB-CZ 4.43Å; L733-F750 HydrophobicContact CD2-CD2 4.32Å; L733-F750 HydrophobicContact CD2-CE2 3.59Å; L733-F750 HydrophobicContact CD2-CZ 4.5Å; L733-F750 HydrophobicContact CG-CE2 4.43Å; I746-F750 HydrophobicContact CG2-CD2 4.05Å; I746-F750 HydrophobicContact CG2-CE2 4.18Å; I746-F750 WeakPolarHBondContact O-CD2 3.49Å; I746-F750 PolarHBondContact O-N 2.92Å; I746-F750 VanDerWaalsContact O-N 3.08Å; R748-F750 VanDerWaalsContact C-N 3.33Å; R748-F750 PolarHBondContact O-N 3.21Å; F750-L758 VanDerWaalsContact C-CD1 3.41Å; F750-L758 WeakPolarHBondContact O-CD1 3.18Å; F750-G763 WeakPolarHBondContact CD1-O 3.42Å; F750-G763 WeakPolarHBondContact CE1-O 3.15Å; F750-M765 HydrophobicContact CE1-CB 3.72Å; F750-M765 HydrophobicContact CE2-CE 4.08Å; F750-M765 HydrophobicContact CZ-CB 3.81Å; F750-M765 HydrophobicContact CZ-CE 4.19Å
751	S	87.1	Confident	78.6	Confident	30 Å²	30	44.3 Å²	44.3	21%	0.21	24%	0.242	C	C	.	.	S	Bend	trans	-93.6	171.2	170.5	85.1	0	0	0	0	110.6	D747 R748 I749 A753	D747-S751 PolarHBondContact O-N 2.96Å; R748-S751 VanDerWaalsContact O-CB 3.27Å; R748-S751 WeakPolarHBondContact O-CB 3.37Å; R748-S751 PolarHBondContact O-N 3.37Å; R748-S751 VanDerWaalsContact O-N 3.08Å; R748-S751 PolarHBondContact O-OG 3.12Å; I749-S751 PolarHBondContact O-N 3.18Å; S751-A753 PolarHBondContact O-N 3.4Å; S751-A753 WeakPolarHBondContact OG-CB 3.43Å; S751-A753 PolarHBondContact OG-N 3.15Å; S751-A753 VanDerWaalsContact OG-N 3.14Å
752	K	80.6	Confident	76.9	Confident	147 Å²	147	49.6 Å²	49.6	64%	0.639	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	4.1	174.1	-63.1	-174.2	179	-176.6	0	113.6
753	A	79.1	Confident	76	Confident	18 Å²	18	51.2 Å²	51.2	15%	0.149	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-47.3	180	0	0	0	0	0	111.9	S751 R791	S751-A753 PolarHBondContact O-N 3.4Å; S751-A753 WeakPolarHBondContact OG-CB 3.43Å; S751-A753 PolarHBondContact OG-N 3.15Å; S751-A753 VanDerWaalsContact OG-N 3.14Å; A753-R791 PolarHBondContact O-NE 3.06Å; A753-R791 PolarHBondContact O-NH2 3.47Å
754	V	78.7	Confident	75.6	Confident	8 Å²	8	50.8 Å²	50.8	5%	0.048	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-39.5	-180	-70.3	0	0	0	0	112	C756 Y788 R791	V754-C756 PolarHBondContact O-N 2.88Å; V754-Y788 HydrophobicContact CB-CD2 3.9Å; V754-Y788 HydrophobicContact CB-CE2 3.62Å; V754-Y788 HydrophobicContact CG1-CD1 4.4Å; V754-Y788 HydrophobicContact CG1-CD2 3.73Å; V754-Y788 HydrophobicContact CG1-CE2 3.88Å; V754-Y788 HydrophobicContact CG1-CG 4Å; V754-Y788 WeakPolarHBondContact CG1-O 3.41Å; V754-Y788 HydrophobicContact CG2-CD2 4.38Å; V754-Y788 HydrophobicContact CG2-CE1 4.46Å; V754-Y788 HydrophobicContact CG2-CE2 3.66Å; V754-R791 HydrophobicContact CG1-CB 4.03Å
755	N	69.7	Low	75.3	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.037	27%	0.266	C	S	.	.			trans	-96.3	76.5	-178.8	-62.2	-17.4	0	0	0	110.2	I749 N757 L758	I749-N755 PolarHBondContact O-ND2 3.09Å; N755-N757 PolarHBondContact O-N 3.15Å; N755-N757 VanDerWaalsContact O-N 3.11Å; N755-L758 HydrophobicContact CB-CD1 3.55Å; N755-L758 HydrophobicContact CB-CD2 4.33Å; N755-L758 HydrophobicContact CB-CG 3.51Å; N755-L758 WeakPolarHBondContact O-CG 3.5Å; N755-L758 PolarHBondContact O-N 2.83Å; N755-L758 VanDerWaalsContact O-N 3.12Å
756	C	60.8	Low	75.1	Confident	30 Å²	30	49.3 Å²	49.3	20%	0.203	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.5	-179.4	64.9	0	0	0	0	113.8	R460 V754	R460-C756 VanDerWaalsContact NH2-CB 3.34Å; R460-C756 PolarHBondContact NH2-SG 3.02Å; V754-C756 PolarHBondContact O-N 2.88Å
757	N	50.7	Low	75	Confident	90 Å²	90	49.2 Å²	49.2	48%	0.481	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.9	178.4	-62.3	-28.9	0	0	0	113.9	D673 N755 T759	D673-N757 PolarHBondContact OD2-ND2 2.95Å; N755-N757 PolarHBondContact O-N 3.15Å; N755-N757 VanDerWaalsContact O-N 3.11Å; N757-T759 PolarHBondContact O-N 3.41Å; N757-T759 PolarHBondContact O-OG1 3.04Å
758	L	52.3	Low	75	Confident	22 Å²	22	46.9 Å²	46.9	12%	0.115	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	49.1	164.5	-67.7	172.4	0	0	0	111.7	F750 N755 K764	F750-L758 VanDerWaalsContact C-CD1 3.41Å; F750-L758 WeakPolarHBondContact O-CD1 3.18Å; N755-L758 HydrophobicContact CB-CD1 3.55Å; N755-L758 HydrophobicContact CB-CD2 4.33Å; N755-L758 HydrophobicContact CB-CG 3.51Å; N755-L758 WeakPolarHBondContact O-CG 3.5Å; N755-L758 PolarHBondContact O-N 2.83Å; N755-L758 VanDerWaalsContact O-N 3.12Å; L758-K764 WeakPolarHBondContact CD2-O 3.3Å
759	T	42.6	Very low	74.9	Confident	112 Å²	112	45.8 Å²	45.8	69%	0.687	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.2	165	38.5	0	0	0	0	112	N757	N757-T759 PolarHBondContact O-N 3.41Å; N757-T759 PolarHBondContact O-OG1 3.04Å
760	E	50.9	Low	75	Confident	45 Å²	45	45.8 Å²	45.8	21%	0.21	26%	0.264	C	S	.	.	S	Bend	trans	-66.5	125.5	168.9	-69.1	-164.1	163.3	0	0	109.6	R440 F727 D762	R440-E760 IonicContact CZ-OE1 2.74Å; R440-E760 IonicContact NH1-OE1 2.8Å; R440-E760 PolarHBondContact NH1-OE1 3.41Å; R440-E760 IonicContact NH2-OE1 2.89Å; R440-E760 PolarHBondContact NH2-OE1 3.38Å; F727-E760 VanDerWaalsContact CE1-OE2 3.3Å; F727-E760 WeakPolarHBondContact CE1-OE2 3.45Å; E760-D762 PolarHBondContact O-N 2.71Å
761	P	52.9	Low	75.2	Confident	125 Å²	125	44.9 Å²	44.9	81%	0.812	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.2	-176.7	24	-32	0	0	0	113.5
762	D	62.4	Low	75.6	Confident	117 Å²	117	45 Å²	45	63%	0.626	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.8	-165.1	-64	-11.6	0	0	0	114.2	E760 K764	E760-D762 PolarHBondContact O-N 2.71Å; D762-K764 HydrophobicContact CB-CG 4.24Å; D762-K764 PolarHBondContact O-N 2.62Å
763	G	76.3	Confident	76.3	Confident	35 Å²	35	38 Å²	38	36%	0.361	23%	0.226	S	C	.	.			trans	60.4	32	179	0	0	0	0	0	112.9	F750	F750-G763 WeakPolarHBondContact CD1-O 3.42Å; F750-G763 WeakPolarHBondContact CE1-O 3.15Å
764	K	85.9	Confident	77.2	Confident	56 Å²	56	37.2 Å²	37.2	24%	0.243	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-103	149.3	175.7	-69.9	-170	171.2	-159.2	0	110.7	D725 F727 L758 D762	D725-K764 IonicContact OD2-NZ 3.94Å; D725-K764 PolarHBondContact OD2-NZ 3.26Å; F727-K764 HydrophobicContact CB-CB 4.02Å; F727-K764 HydrophobicContact CB-CD 3.81Å; F727-K764 HydrophobicContact CB-CG 4.45Å; F727-K764 HydrophobicContact CD1-CB 4.19Å; F727-K764 HydrophobicContact CG-CB 4.4Å; F727-K764 HydrophobicContact CG-CD 4.31Å; L758-K764 WeakPolarHBondContact CD2-O 3.3Å; D762-K764 HydrophobicContact CB-CG 4.24Å; D762-K764 PolarHBondContact O-N 2.62Å
765	M	90	Very high	78.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.8	178.2	178.1	-172.1	-67	0	0	109.1	F727 I728 L733 I749 F750 D769 F770 F773	F727-M765 CarbonylContact C-O 3.54Å; F727-M765 VanDerWaalsContact CA-O 3.3Å; F727-M765 WeakPolarHBondContact CA-O 3.38Å; I728-M765 HydrophobicContact CB-CB 4.33Å; I728-M765 PolarHBondContact N-O 3.16Å; I728-M765 WeakPolarHBondContact O-CB 3.35Å; I728-M765 PolarHBondContact O-N 3.46Å; L733-M765 HydrophobicContact CD2-CE 3.98Å; I749-M765 HydrophobicContact CG2-CE 3.26Å; F750-M765 HydrophobicContact CE1-CB 3.72Å; F750-M765 HydrophobicContact CE2-CE 4.08Å; F750-M765 HydrophobicContact CZ-CB 3.81Å; F750-M765 HydrophobicContact CZ-CE 4.19Å; M765-D769 HydrophobicContact CG-CB 3.49Å; M765-D769 VanDerWaalsContact CG-CB 3.49Å; M765-D769 HydrophobicContact SD-CB 4.4Å; M765-F770 VanDerWaalsContact SD-CA 3.58Å; M765-F770 HydrophobicContact SD-CB 3.91Å; M765-F770 HydrophobicContact SD-CD2 4.28Å; M765-F773 HydrophobicContact CE-CB 4.39Å; M765-F773 HydrophobicContact SD-CB 4.29Å
766	S	91.1	Very high	79.4	Confident	33 Å²	33	36.9 Å²	36.9	23%	0.231	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	163.6	176.8	73.1	0	0	0	0	112	S768 D769 F770	S766-S768 VanDerWaalsContact C-N 3.28Å; S766-S768 PolarHBondContact O-N 3.2Å; S766-D769 WeakPolarHBondContact CB-OD2 3.39Å; S766-D769 PolarHBondContact N-OD2 3.13Å; S766-D769 PolarHBondContact O-N 3.46Å; S766-D769 VanDerWaalsContact O-N 3.13Å; S766-D769 PolarHBondContact OG-N 2.73Å; S766-D769 PolarHBondContact OG-OD2 2.73Å; S766-F770 PolarHBondContact O-N 3.41Å
767	Y	92.7	Very high	81.1	Confident	5 Å²	5	35.5 Å²	35.5	2%	0.02	21%	0.207	C	C	.	.	H	α-helix	trans	-53.1	-42.8	172	-179.2	-110.5	0	0	0	113.4	E657 T658 I713 Y714 F717 L726 D769 F770 V771	E657-Y767 HydrophobicContact CB-CD1 4.36Å; E657-Y767 HydrophobicContact CB-CE1 4.49Å; T658-Y767 WeakPolarHBondContact OG1-CE1 3.23Å; T658-Y767 PolarHBondContact OG1-OH 2.78Å; I713-Y767 HydrophobicContact CG2-CE2 4.34Å; Y714-Y767 HydrophobicContact CD2-CE2 4.24Å; F717-Y767 HydrophobicContact CB-CD2 4.13Å; F717-Y767 HydrophobicContact CB-CE2 3.96Å; F717-Y767 AromaticContact CD1-CD2 3.81Å; F717-Y767 HydrophobicContact CD1-CD2 3.81Å; F717-Y767 HydrophobicContact CD1-CE2 4.26Å; F717-Y767 AromaticContact CD2-CD2 3.63Å; F717-Y767 HydrophobicContact CD2-CD2 3.63Å; F717-Y767 HydrophobicContact CD2-CE2 4.29Å; F717-Y767 HydrophobicContact CE1-CD2 4.12Å; F717-Y767 AromaticContact CE2-CD2 3.9Å; F717-Y767 HydrophobicContact CE2-CD2 3.9Å; F717-Y767 AromaticContact CG-CD2 3.57Å; F717-Y767 HydrophobicContact CG-CD2 3.57Å; F717-Y767 AromaticContact CG-CE2 3.91Å; F717-Y767 HydrophobicContact CG-CE2 3.91Å; F717-Y767 HydrophobicContact CZ-CD2 4.16Å; L726-Y767 PolarHBondContact O-N 2.77Å; Y767-D769 VanDerWaalsContact C-N 3.34Å; Y767-D769 PolarHBondContact O-N 3.42Å; Y767-F770 WeakPolarHBondContact O-CB 3.47Å; Y767-F770 PolarHBondContact O-N 3.03Å; Y767-V771 HydrophobicContact CD1-CG2 4.46Å; Y767-V771 HydrophobicContact CE1-CG2 4.15Å; Y767-V771 WeakPolarHBondContact O-CG2 3.44Å; Y767-V771 PolarHBondContact O-N 3.05Å
768	S	92.5	Very high	83.3	Confident	31 Å²	31	32.1 Å²	32.1	22%	0.217	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-37.5	178.5	-68.2	0	0	0	0	112.4	S766 V771 W772	S766-S768 VanDerWaalsContact C-N 3.28Å; S766-S768 PolarHBondContact O-N 3.2Å; S768-V771 WeakPolarHBondContact O-CB 3.45Å; S768-V771 PolarHBondContact O-N 3.4Å; S768-W772 PolarHBondContact O-N 2.97Å
769	D	92.3	Very high	85.3	Confident	32 Å²	32	31.7 Å²	31.7	17%	0.171	19%	0.186	C	C	.	.	H	α-helix	trans	-69.7	-36.4	174.9	-60.3	-47.9	0	0	0	111.1	M765 S766 Y767 V771 W772 F773	M765-D769 HydrophobicContact CG-CB 3.49Å; M765-D769 VanDerWaalsContact CG-CB 3.49Å; M765-D769 HydrophobicContact SD-CB 4.4Å; S766-D769 WeakPolarHBondContact CB-OD2 3.39Å; S766-D769 PolarHBondContact N-OD2 3.13Å; S766-D769 PolarHBondContact O-N 3.46Å; S766-D769 VanDerWaalsContact O-N 3.13Å; S766-D769 PolarHBondContact OG-N 2.73Å; S766-D769 PolarHBondContact OG-OD2 2.73Å; Y767-D769 VanDerWaalsContact C-N 3.34Å; Y767-D769 PolarHBondContact O-N 3.42Å; D769-V771 VanDerWaalsContact C-N 3.33Å; D769-V771 PolarHBondContact O-N 3.17Å; D769-W772 WeakPolarHBondContact O-CB 3.37Å; D769-W772 PolarHBondContact O-N 2.99Å; D769-W772 VanDerWaalsContact O-N 3.16Å; D769-F773 PolarHBondContact O-N 3.03Å
770	F	95.2	Very high	87.9	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-38.7	174.3	178.9	-95.5	0	0	0	112.2	I713 T716 F717 L720 L733 M765 S766 Y767 W772 F773 I774	I713-F770 HydrophobicContact CG2-CD1 4.32Å; I713-F770 HydrophobicContact CG2-CE1 4.36Å; T716-F770 HydrophobicContact CG2-CZ 4.03Å; F717-F770 HydrophobicContact CB-CD1 3.81Å; F717-F770 HydrophobicContact CB-CE1 3.7Å; F717-F770 HydrophobicContact CB-CZ 4.38Å; F717-F770 HydrophobicContact CD2-CB 3.72Å; F717-F770 AromaticContact CD2-CD1 3.57Å; F717-F770 HydrophobicContact CD2-CD1 3.57Å; F717-F770 HydrophobicContact CD2-CD2 4.18Å; F717-F770 HydrophobicContact CD2-CE1 4.21Å; F717-F770 AromaticContact CD2-CG 3.55Å; F717-F770 HydrophobicContact CD2-CG 3.55Å; F717-F770 HydrophobicContact CE2-CB 4Å; F717-F770 HydrophobicContact CE2-CG 4.27Å; F717-F770 HydrophobicContact CG-CD1 4.18Å; F717-F770 HydrophobicContact CG-CE1 4.49Å; L720-F770 HydrophobicContact CD1-CE2 3.6Å; L720-F770 HydrophobicContact CD1-CZ 3.98Å; L733-F770 HydrophobicContact CD1-CE2 4.44Å; M765-F770 VanDerWaalsContact SD-CA 3.58Å; M765-F770 HydrophobicContact SD-CB 3.91Å; M765-F770 HydrophobicContact SD-CD2 4.28Å; S766-F770 PolarHBondContact O-N 3.41Å; Y767-F770 WeakPolarHBondContact O-CB 3.47Å; Y767-F770 PolarHBondContact O-N 3.03Å; F770-W772 VanDerWaalsContact C-N 3.25Å; F770-W772 PolarHBondContact O-N 3.41Å; F770-F773 AromaticContact CD2-CD1 3.77Å; F770-F773 HydrophobicContact CD2-CD1 3.77Å; F770-F773 HydrophobicContact CD2-CE1 4.42Å; F770-F773 AromaticContact CE2-CD1 3.72Å; F770-F773 HydrophobicContact CE2-CD1 3.72Å; F770-F773 AromaticContact CE2-CE1 3.95Å; F770-F773 HydrophobicContact CE2-CE1 3.95Å; F770-F773 WeakPolarHBondContact O-CB 3.43Å; F770-F773 PolarHBondContact O-N 3.23Å; F770-F773 VanDerWaalsContact O-N 3.16Å; F770-I774 HydrophobicContact CD1-CG2 4.47Å; F770-I774 HydrophobicContact CE1-CB 4.17Å; F770-I774 HydrophobicContact CE1-CD1 4.09Å; F770-I774 HydrophobicContact CE1-CG2 4.22Å; F770-I774 HydrophobicContact CZ-CB 4.25Å; F770-I774 HydrophobicContact CZ-CD1 4.08Å; F770-I774 WeakPolarHBondContact O-CG2 3.42Å; F770-I774 PolarHBondContact O-N 3.41Å
771	V	96.2	Very high	89.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56	-43.3	173.4	175.8	0	0	0	0	110.3	R662 I713 Y767 S768 D769 I774 L775	R662-V771 HydrophobicContact CG-CG1 4.21Å; I713-V771 HydrophobicContact CD1-CG1 4.31Å; I713-V771 HydrophobicContact CG2-CG2 3.84Å; Y767-V771 HydrophobicContact CD1-CG2 4.46Å; Y767-V771 HydrophobicContact CE1-CG2 4.15Å; Y767-V771 WeakPolarHBondContact O-CG2 3.44Å; Y767-V771 PolarHBondContact O-N 3.05Å; S768-V771 WeakPolarHBondContact O-CB 3.45Å; S768-V771 PolarHBondContact O-N 3.4Å; D769-V771 VanDerWaalsContact C-N 3.33Å; D769-V771 PolarHBondContact O-N 3.17Å; V771-I774 WeakPolarHBondContact O-CG2 3.49Å; V771-L775 HydrophobicContact CG1-CD1 3.85Å; V771-L775 WeakPolarHBondContact O-CB 3.35Å; V771-L775 VanDerWaalsContact O-CD1 3.32Å; V771-L775 WeakPolarHBondContact O-CD1 3.36Å; V771-L775 WeakPolarHBondContact O-CG 3.5Å; V771-L775 PolarHBondContact O-N 3.23Å
772	W	95.1	Very high	91.8	Very high	33 Å²	33	25.9 Å²	25.9	13%	0.125	14%	0.14	C	C	.	.	H	α-helix	trans	-66.4	-43.6	176.2	-82.5	58.8	0	0	0	112.3	Y665 W671 S768 D769 F770 A776 K784	Y665-W772 AromaticContact CD2-CD2 3.87Å; Y665-W772 HydrophobicContact CD2-CD2 3.87Å; Y665-W772 AromaticContact CD2-CE3 3.96Å; Y665-W772 HydrophobicContact CD2-CE3 3.96Å; Y665-W772 HydrophobicContact CD2-CG 4.14Å; Y665-W772 HydrophobicContact CE2-CE3 4.43Å; W671-W772 HydrophobicContact CD2-CZ3 4.47Å; W671-W772 HydrophobicContact CE3-CH2 4.33Å; W671-W772 AromaticContact CE3-CZ3 3.73Å; W671-W772 HydrophobicContact CE3-CZ3 3.73Å; W671-W772 HydrophobicContact CH2-CE3 4.46Å; W671-W772 AromaticContact CH2-CZ3 3.99Å; W671-W772 HydrophobicContact CH2-CZ3 3.99Å; W671-W772 HydrophobicContact CZ3-CE3 4.09Å; W671-W772 HydrophobicContact CZ3-CH2 4.5Å; W671-W772 AromaticContact CZ3-CZ3 3.5Å; W671-W772 HydrophobicContact CZ3-CZ3 3.5Å; W671-W772 VanDerWaalsContact CZ3-CZ3 3.5Å; S768-W772 PolarHBondContact O-N 2.97Å; D769-W772 WeakPolarHBondContact O-CB 3.37Å; D769-W772 PolarHBondContact O-N 2.99Å; D769-W772 VanDerWaalsContact O-N 3.16Å; F770-W772 VanDerWaalsContact C-N 3.25Å; F770-W772 PolarHBondContact O-N 3.41Å; W772-A776 WeakPolarHBondContact O-CB 3.38Å; W772-A776 PolarHBondContact O-N 3.14Å; W772-K784 HydrophobicContact CE3-CD 4.38Å; W772-K784 HydrophobicContact CH2-CD 4.22Å; W772-K784 HydrophobicContact CZ3-CD 3.86Å
773	F	95.9	Very high	93.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.9	-53.5	176.9	160.1	-99.1	0	0	0	111.6	L733 Y736 L741 I749 M765 D769 F770 L775 A776 E777 W789	L733-F773 HydrophobicContact CD1-CD1 3.91Å; L733-F773 HydrophobicContact CD1-CE1 3.53Å; L733-F773 HydrophobicContact CD1-CE2 4.25Å; L733-F773 HydrophobicContact CD1-CG 4.43Å; L733-F773 HydrophobicContact CD1-CZ 3.71Å; L733-F773 HydrophobicContact CD2-CE2 4.36Å; L733-F773 HydrophobicContact CG-CZ 4.44Å; Y736-F773 HydrophobicContact CD1-CE1 4.38Å; Y736-F773 HydrophobicContact CD1-CZ 4.03Å; Y736-F773 HydrophobicContact CD2-CE1 4.01Å; Y736-F773 HydrophobicContact CD2-CZ 4.43Å; Y736-F773 HydrophobicContact CE1-CE1 4.44Å; Y736-F773 HydrophobicContact CE1-CZ 4.24Å; Y736-F773 HydrophobicContact CE2-CE1 4.05Å; Y736-F773 HydrophobicContact CG-CE1 4.17Å; Y736-F773 HydrophobicContact CG-CZ 4.14Å; L741-F773 HydrophobicContact CD1-CE2 3.49Å; L741-F773 VanDerWaalsContact CD1-CE2 3.49Å; L741-F773 HydrophobicContact CD1-CZ 3.53Å; I749-F773 HydrophobicContact CD1-CD2 3.94Å; I749-F773 HydrophobicContact CD1-CE2 3.86Å; M765-F773 HydrophobicContact CE-CB 4.39Å; M765-F773 HydrophobicContact SD-CB 4.29Å; D769-F773 PolarHBondContact O-N 3.03Å; F770-F773 AromaticContact CD2-CD1 3.77Å; F770-F773 HydrophobicContact CD2-CD1 3.77Å; F770-F773 HydrophobicContact CD2-CE1 4.42Å; F770-F773 AromaticContact CE2-CD1 3.72Å; F770-F773 HydrophobicContact CE2-CD1 3.72Å; F770-F773 AromaticContact CE2-CE1 3.95Å; F770-F773 HydrophobicContact CE2-CE1 3.95Å; F770-F773 WeakPolarHBondContact O-CB 3.43Å; F770-F773 PolarHBondContact O-N 3.23Å; F770-F773 VanDerWaalsContact O-N 3.16Å; F773-L775 VanDerWaalsContact C-N 3.34Å; F773-L775 PolarHBondContact O-N 3.27Å; F773-A776 PolarHBondContact O-N 3.35Å; F773-E777 HydrophobicContact CE2-CB 4.11Å; F773-E777 HydrophobicContact CE2-CG 4.37Å; F773-E777 HydrophobicContact CZ-CB 4.11Å; F773-E777 HydrophobicContact CZ-CG 4.1Å; F773-E777 VanDerWaalsContact O-CB 3.31Å; F773-E777 WeakPolarHBondContact O-CB 3.48Å; F773-E777 PolarHBondContact O-N 3.32Å; F773-W789 HydrophobicContact CD2-CH2 4.44Å; F773-W789 HydrophobicContact CE2-CH2 4.21Å
774	I	97.4	Very high	94.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.7	-35.8	-174.5	-163.5	176.5	0	0	0	111.7	I713 T716 Y736 F770 V771 E777 E778 W893	I713-I774 HydrophobicContact CG1-CG2 4Å; I713-I774 HydrophobicContact CG2-CG2 4.24Å; T716-I774 HydrophobicContact CG2-CD1 3.84Å; Y736-I774 HydrophobicContact CE2-CG1 4.47Å; F770-I774 HydrophobicContact CD1-CG2 4.47Å; F770-I774 HydrophobicContact CE1-CB 4.17Å; F770-I774 HydrophobicContact CE1-CD1 4.09Å; F770-I774 HydrophobicContact CE1-CG2 4.22Å; F770-I774 HydrophobicContact CZ-CB 4.25Å; F770-I774 HydrophobicContact CZ-CD1 4.08Å; F770-I774 WeakPolarHBondContact O-CG2 3.42Å; F770-I774 PolarHBondContact O-N 3.41Å; V771-I774 WeakPolarHBondContact O-CG2 3.49Å; I774-E777 PolarHBondContact O-N 3.41Å; I774-E778 HydrophobicContact CG1-CG 4.06Å; I774-E778 WeakPolarHBondContact O-CB 3.38Å; I774-E778 WeakPolarHBondContact O-CG 3.4Å; I774-E778 PolarHBondContact O-N 3.07Å; I774-W893 HydrophobicContact CG1-CZ3 4.22Å; I774-W893 HydrophobicContact CG2-CH2 4.44Å; I774-W893 HydrophobicContact CG2-CZ3 4.46Å
775	L	97.5	Very high	94.6	Very high	9 Å²	9	20 Å²	20	5%	0.047	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-39.5	173.5	-69.1	169.2	0	0	0	111.9	R662 Y665 V771 F773 D779 W893	R662-L775 HydrophobicContact CG-CD1 3.98Å; Y665-L775 HydrophobicContact CD1-CB 4.33Å; Y665-L775 HydrophobicContact CD1-CD1 4.03Å; Y665-L775 HydrophobicContact CD2-CB 4.33Å; Y665-L775 HydrophobicContact CD2-CD1 4.17Å; Y665-L775 HydrophobicContact CE1-CB 3.97Å; Y665-L775 HydrophobicContact CE2-CB 4.01Å; Y665-L775 HydrophobicContact CG-CB 4.48Å; Y665-L775 HydrophobicContact CG-CD1 3.84Å; V771-L775 HydrophobicContact CG1-CD1 3.85Å; V771-L775 WeakPolarHBondContact O-CB 3.35Å; V771-L775 VanDerWaalsContact O-CD1 3.32Å; V771-L775 WeakPolarHBondContact O-CD1 3.36Å; V771-L775 WeakPolarHBondContact O-CG 3.5Å; V771-L775 PolarHBondContact O-N 3.23Å; F773-L775 VanDerWaalsContact C-N 3.34Å; F773-L775 PolarHBondContact O-N 3.27Å; L775-D779 PolarHBondContact O-N 3.38Å; L775-W893 HydrophobicContact CD2-CD2 3.68Å; L775-W893 HydrophobicContact CD2-CE3 3.89Å; L775-W893 HydrophobicContact CD2-CG 4.26Å; L775-W893 HydrophobicContact CD2-CH2 4.14Å; L775-W893 HydrophobicContact CD2-CZ2 3.94Å; L775-W893 HydrophobicContact CD2-CZ3 4.12Å
776	A	96.9	Very high	95	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-72.1	-38.6	176.5	0	0	0	0	0	111.8	Y665 W772 F773 K780 S785 Y788 W789	Y665-A776 WeakPolarHBondContact OH-CA 3.44Å; Y665-A776 PolarHBondContact OH-N 2.95Å; W772-A776 WeakPolarHBondContact O-CB 3.38Å; W772-A776 PolarHBondContact O-N 3.14Å; F773-A776 PolarHBondContact O-N 3.35Å; A776-K780 WeakPolarHBondContact O-CG 2.94Å; A776-S785 WeakPolarHBondContact CA-OG 3.49Å; A776-S785 PolarHBondContact O-OG 3.48Å; A776-Y788 HydrophobicContact CB-CD1 3.7Å; A776-Y788 HydrophobicContact CB-CD2 4.24Å; A776-Y788 HydrophobicContact CB-CE1 4.2Å; A776-Y788 HydrophobicContact CB-CG 3.73Å; A776-W789 HydrophobicContact CB-CZ2 4.44Å; A776-W789 PolarHBondContact O-NE1 3.3Å
777	E	96.8	Very high	95.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.9	-43.9	-177.5	177.7	42.4	-135.8	0	0	112.5	Y736 F773 I774 K780 W789 N866 K869	Y736-E777 HydrophobicContact CD1-CG 4.48Å; Y736-E777 HydrophobicContact CE1-CG 3.66Å; F773-E777 HydrophobicContact CE2-CB 4.11Å; F773-E777 HydrophobicContact CE2-CG 4.37Å; F773-E777 HydrophobicContact CZ-CB 4.11Å; F773-E777 HydrophobicContact CZ-CG 4.1Å; F773-E777 VanDerWaalsContact O-CB 3.31Å; F773-E777 WeakPolarHBondContact O-CB 3.48Å; F773-E777 PolarHBondContact O-N 3.32Å; I774-E777 PolarHBondContact O-N 3.41Å; E777-K780 PolarHBondContact O-NZ 2.85Å; E777-K780 IonicContact OE1-NZ 3.39Å; E777-K780 PolarHBondContact OE1-NZ 2.74Å; E777-K780 WeakPolarHBondContact OE2-CE 3.31Å; E777-K780 IonicContact OE2-NZ 3.17Å; E777-K780 PolarHBondContact OE2-NZ 2.96Å; E777-W789 HydrophobicContact CB-CZ2 3.92Å; E777-W789 WeakPolarHBondContact OE2-CZ2 3.28Å; E777-N866 PolarHBondContact OE1-ND2 3.32Å; E777-K869 PolarHBondContact O-NZ 3.36Å; E777-K869 IonicContact OE1-NZ 2.71Å; E777-K869 PolarHBondContact OE1-NZ 2.84Å
778	E	96.4	Very high	95.3	Very high	20 Å²	20	20 Å²	20	9%	0.093	10%	0.103	C	C	.	.	H	α-helix	trans	-84.9	-20.7	-175	-61.9	-52.8	133.4	0	0	114.6	Y736 I774 K869 W893 F896	Y736-E778 VanDerWaalsContact OH-CD 3.27Å; Y736-E778 PolarHBondContact OH-OE1 3.14Å; I774-E778 HydrophobicContact CG1-CG 4.06Å; I774-E778 WeakPolarHBondContact O-CB 3.38Å; I774-E778 WeakPolarHBondContact O-CG 3.4Å; I774-E778 PolarHBondContact O-N 3.07Å; E778-K869 IonicContact OE1-NZ 3.1Å; E778-K869 PolarHBondContact OE1-NZ 3.3Å; E778-K869 WeakPolarHBondContact OE2-CE 3.38Å; E778-K869 IonicContact OE2-NZ 3.7Å; E778-K869 PolarHBondContact OE2-NZ 3.04Å; E778-W893 HydrophobicContact CB-CE3 3.91Å; E778-W893 HydrophobicContact CB-CZ3 4.14Å; E778-W893 HydrophobicContact CG-CZ3 4.39Å; E778-F896 HydrophobicContact CB-CB 4.43Å; E778-F896 HydrophobicContact CB-CD1 4.01Å; E778-F896 HydrophobicContact CB-CD2 4.37Å; E778-F896 HydrophobicContact CB-CE1 4.38Å; E778-F896 HydrophobicContact CB-CG 4.01Å; E778-F896 VanDerWaalsContact CD-CE2 3.44Å; E778-F896 HydrophobicContact CG-CD1 3.82Å; E778-F896 HydrophobicContact CG-CD2 4Å; E778-F896 HydrophobicContact CG-CE1 3.69Å; E778-F896 HydrophobicContact CG-CE2 3.86Å; E778-F896 HydrophobicContact CG-CG 3.98Å; E778-F896 HydrophobicContact CG-CZ 3.7Å; E778-F896 WeakPolarHBondContact OE2-CD2 3.42Å; E778-F896 VanDerWaalsContact OE2-CE2 3.29Å; E778-F896 WeakPolarHBondContact OE2-CE2 3.37Å
779	D	95.7	Very high	95.5	Very high	13 Å²	13	18.5 Å²	18.5	7%	0.07	9%	0.093	C	C	.	.			trans	-128.8	83.1	173.2	-174.4	-5.4	0	0	0	111.2	L775 E781 H782 S785 A892 W893	L775-D779 PolarHBondContact O-N 3.38Å; D779-E781 PolarHBondContact O-N 2.8Å; D779-E781 WeakPolarHBondContact OD1-CB 3.4Å; D779-E781 PolarHBondContact OD1-N 2.74Å; D779-E781 VanDerWaalsContact OD1-N 3.14Å; D779-H782 HydrophobicContact CB-CB 4.41Å; D779-H782 WeakPolarHBondContact O-CB 3.33Å; D779-H782 PolarHBondContact O-N 2.89Å; D779-H782 PolarHBondContact OD1-N 2.92Å; D779-S785 WeakPolarHBondContact O-CB 3.18Å; D779-S785 PolarHBondContact O-OG 3.48Å; D779-A892 HydrophobicContact CB-CB 4.22Å; D779-W893 HydrophobicContact CB-CB 3.86Å
780	K	95.3	Very high	95.7	Very high	7 Å²	7	17.4 Å²	17.4	3%	0.03	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4.8	175.9	-62.9	-165.7	179.1	74	0	114.1	A776 E777 S785 I786 P858 F861 D862	A776-K780 WeakPolarHBondContact O-CG 2.94Å; E777-K780 PolarHBondContact O-NZ 2.85Å; E777-K780 IonicContact OE1-NZ 3.39Å; E777-K780 PolarHBondContact OE1-NZ 2.74Å; E777-K780 WeakPolarHBondContact OE2-CE 3.31Å; E777-K780 IonicContact OE2-NZ 3.17Å; E777-K780 PolarHBondContact OE2-NZ 2.96Å; K780-S785 WeakPolarHBondContact CA-OG 3.05Å; K780-I786 WeakPolarHBondContact O-CG1 3.42Å; K780-P858 HydrophobicContact CB-CB 3.94Å; K780-P858 HydrophobicContact CB-CG 4.17Å; K780-F861 HydrophobicContact CD-CB 3.74Å; K780-F861 HydrophobicContact CD-CD2 4.47Å; K780-F861 HydrophobicContact CD-CG 4.49Å; K780-D862 WeakPolarHBondContact CD-OD1 3.17Å; K780-D862 WeakPolarHBondContact CE-OD1 3.44Å; K780-D862 IonicContact NZ-OD1 2.8Å; K780-D862 PolarHBondContact NZ-OD1 2.7Å
781	E	93	Very high	95.7	Very high	106 Å²	106	19.2 Å²	19.2	50%	0.495	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-30.1	172.5	-61.8	176.3	172.6	0	0	110.7	D779 P858	D779-E781 PolarHBondContact O-N 2.8Å; D779-E781 WeakPolarHBondContact OD1-CB 3.4Å; D779-E781 PolarHBondContact OD1-N 2.74Å; D779-E781 VanDerWaalsContact OD1-N 3.14Å; E781-P858 HydrophobicContact CB-CG 4.37Å; E781-P858 HydrophobicContact CG-CG 3.4Å
782	H	94.2	Very high	95.7	Very high	46 Å²	46	19.2 Å²	19.2	21%	0.213	9%	0.094	C	C	.	.	S	Bend	trans	-58.5	131	-179.7	-170.1	-93	0	0	0	111.8	Y665 N666 D779 K784 S785 I786	Y665-H782 AromaticContact CE1-CE1 3.62Å; Y665-H782 AromaticContact CE1-ND1 3.42Å; Y665-H782 WeakPolarHBondContact CE1-ND1 3.3Å; Y665-H782 AromaticContact CZ-ND1 3.95Å; N666-H782 PolarHBondContact OD1-NE2 3.47Å; D779-H782 HydrophobicContact CB-CB 4.41Å; D779-H782 WeakPolarHBondContact O-CB 3.33Å; D779-H782 PolarHBondContact O-N 2.89Å; D779-H782 PolarHBondContact OD1-N 2.92Å; H782-K784 WeakPolarHBondContact ND1-CB 3.09Å; H782-K784 PolarHBondContact ND1-N 2.98Å; H782-K784 VanDerWaalsContact ND1-N 3.19Å; H782-K784 PolarHBondContact O-N 3.39Å; H782-S785 WeakPolarHBondContact O-CA 3.02Å; H782-S785 VanDerWaalsContact O-CB 3.28Å; H782-S785 WeakPolarHBondContact O-CB 3.3Å; H782-S785 PolarHBondContact O-N 3.23Å; H782-I786 PolarHBondContact O-N 2.89Å; H782-I786 VanDerWaalsContact O-N 3.13Å
783	P	93.8	Very high	95.8	Very high	75 Å²	75	17.6 Å²	17.6	49%	0.487	9%	0.088	S	C	.	.	H	α-helix	trans	-55.9	-32.9	-175.7	-28.7	34.9	0	0	0	114.8	E787	P783-E787 WeakPolarHBondContact O-CG 3.38Å; P783-E787 PolarHBondContact O-N 2.93Å
784	K	93.8	Very high	95.8	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.039	9%	0.092	C	C	.	.	H	α-helix	trans	-72.6	-32.5	175.2	-175.5	165.8	-70.2	-165.9	0	112.9	Y664 Y665 S668 W671 W772 H782 I786 E787 Y788	Y664-K784 PolarHBondContact O-NZ 3.27Å; Y665-K784 HydrophobicContact CD1-CD 4.31Å; Y665-K784 HydrophobicContact CD2-CD 3.53Å; Y665-K784 HydrophobicContact CD2-CG 4.16Å; Y665-K784 HydrophobicContact CE1-CB 4.22Å; Y665-K784 HydrophobicContact CE1-CD 4.48Å; Y665-K784 HydrophobicContact CE2-CB 4.29Å; Y665-K784 HydrophobicContact CE2-CD 3.7Å; Y665-K784 HydrophobicContact CE2-CG 3.79Å; Y665-K784 HydrophobicContact CG-CD 3.85Å; Y665-K784 WeakPolarHBondContact O-CD 3.4Å; Y665-K784 WeakPolarHBondContact O-CE 3.16Å; Y665-K784 PolarHBondContact O-NZ 2.6Å; S668-K784 WeakPolarHBondContact O-CE 3.21Å; S668-K784 PolarHBondContact O-NZ 3.47Å; W671-K784 HydrophobicContact CZ2-CG 4.21Å; W772-K784 HydrophobicContact CE3-CD 4.38Å; W772-K784 HydrophobicContact CH2-CD 4.22Å; W772-K784 HydrophobicContact CZ3-CD 3.86Å; H782-K784 WeakPolarHBondContact ND1-CB 3.09Å; H782-K784 PolarHBondContact ND1-N 2.98Å; H782-K784 VanDerWaalsContact ND1-N 3.19Å; H782-K784 PolarHBondContact O-N 3.39Å; K784-I786 VanDerWaalsContact C-N 3.35Å; K784-E787 WeakPolarHBondContact O-CB 3.46Å; K784-E787 PolarHBondContact O-N 3.22Å; K784-Y788 WeakPolarHBondContact O-CB 3.49Å; K784-Y788 PolarHBondContact O-N 3.45Å
785	S	96	Very high	95.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.2	-43.3	174	-179.5	0	0	0	0	110.7	Y665 A776 D779 K780 H782 E787 Y788 W789	Y665-S785 PolarHBondContact OH-N 2.72Å; A776-S785 WeakPolarHBondContact CA-OG 3.49Å; A776-S785 PolarHBondContact O-OG 3.48Å; D779-S785 WeakPolarHBondContact O-CB 3.18Å; D779-S785 PolarHBondContact O-OG 3.48Å; K780-S785 WeakPolarHBondContact CA-OG 3.05Å; H782-S785 WeakPolarHBondContact O-CA 3.02Å; H782-S785 VanDerWaalsContact O-CB 3.28Å; H782-S785 WeakPolarHBondContact O-CB 3.3Å; H782-S785 PolarHBondContact O-N 3.23Å; S785-E787 VanDerWaalsContact C-N 3.27Å; S785-E787 PolarHBondContact O-N 3.13Å; S785-Y788 WeakPolarHBondContact O-CB 2.89Å; S785-Y788 PolarHBondContact O-N 3.11Å; S785-W789 PolarHBondContact O-N 3.28Å; S785-W789 PolarHBondContact OG-NE1 2.7Å; S785-W789 VanDerWaalsContact OG-NE1 3.17Å
786	I	96.8	Very high	95.4	Very high	10 Å²	10	25.6 Å²	25.6	5%	0.051	13%	0.13	C	C	.	.	H	α-helix	trans	-56.8	-43.3	174.1	-57.7	175.8	0	0	0	110.9	K780 H782 K784 F790 L848 L851 K852 A857 F861	K780-I786 WeakPolarHBondContact O-CG1 3.42Å; H782-I786 PolarHBondContact O-N 2.89Å; H782-I786 VanDerWaalsContact O-N 3.13Å; K784-I786 VanDerWaalsContact C-N 3.35Å; I786-F790 WeakPolarHBondContact O-CB 3.4Å; I786-F790 PolarHBondContact O-N 3.04Å; I786-L848 HydrophobicContact CG2-CD1 3.97Å; I786-L851 HydrophobicContact CG2-CB 3.84Å; I786-K852 HydrophobicContact CG2-CG 4.06Å; I786-A857 HydrophobicContact CD1-CB 3.86Å; I786-A857 HydrophobicContact CG1-CB 4.07Å; I786-F861 HydrophobicContact CB-CE2 4.19Å; I786-F861 HydrophobicContact CG1-CE2 4.2Å; I786-F861 HydrophobicContact CG2-CE2 4Å; I786-F861 HydrophobicContact CG2-CZ 4.06Å
787	E	95.5	Very high	95.1	Very high	28 Å²	28	27.6 Å²	27.6	13%	0.131	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-42.8	174.4	-68.9	170.6	-170.2	0	0	112.7	W671 P783 K784 S785 R791 L848 K852	W671-E787 HydrophobicContact CZ2-CB 3.79Å; W671-E787 PolarHBondContact NE1-OE2 3.07Å; P783-E787 WeakPolarHBondContact O-CG 3.38Å; P783-E787 PolarHBondContact O-N 2.93Å; K784-E787 WeakPolarHBondContact O-CB 3.46Å; K784-E787 PolarHBondContact O-N 3.22Å; S785-E787 VanDerWaalsContact C-N 3.27Å; S785-E787 PolarHBondContact O-N 3.13Å; E787-R791 WeakPolarHBondContact O-CB 3.4Å; E787-R791 VanDerWaalsContact O-CG 3.23Å; E787-R791 WeakPolarHBondContact O-CG 3.29Å; E787-R791 PolarHBondContact O-N 3.28Å; E787-L848 HydrophobicContact CG-CD1 4.13Å; E787-L848 HydrophobicContact CG-CD2 4.06Å; E787-K852 WeakPolarHBondContact OE1-CE 3.43Å; E787-K852 IonicContact OE1-NZ 2.85Å; E787-K852 PolarHBondContact OE1-NZ 3.46Å
788	Y	95.3	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-53.1	179.2	-177.3	-83.1	0	0	0	110.8	W671 I749 V754 A776 K784 S785 R791 C792	W671-Y788 HydrophobicContact CH2-CD2 4.09Å; I749-Y788 HydrophobicContact CG1-CE1 4.46Å; V754-Y788 HydrophobicContact CB-CD2 3.9Å; V754-Y788 HydrophobicContact CB-CE2 3.62Å; V754-Y788 HydrophobicContact CG1-CD1 4.4Å; V754-Y788 HydrophobicContact CG1-CD2 3.73Å; V754-Y788 HydrophobicContact CG1-CE2 3.88Å; V754-Y788 HydrophobicContact CG1-CG 4Å; V754-Y788 WeakPolarHBondContact CG1-O 3.41Å; V754-Y788 HydrophobicContact CG2-CD2 4.38Å; V754-Y788 HydrophobicContact CG2-CE1 4.46Å; V754-Y788 HydrophobicContact CG2-CE2 3.66Å; A776-Y788 HydrophobicContact CB-CD1 3.7Å; A776-Y788 HydrophobicContact CB-CD2 4.24Å; A776-Y788 HydrophobicContact CB-CE1 4.2Å; A776-Y788 HydrophobicContact CB-CG 3.73Å; K784-Y788 WeakPolarHBondContact O-CB 3.49Å; K784-Y788 PolarHBondContact O-N 3.45Å; S785-Y788 WeakPolarHBondContact O-CB 2.89Å; S785-Y788 PolarHBondContact O-N 3.11Å; Y788-R791 PolarHBondContact O-N 2.81Å; Y788-C792 PolarHBondContact O-N 3.19Å; Y788-C792 PolarHBondContact O-SG 3.2Å
789	W	97	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.5	-37.4	-178.3	-65.6	119.2	0	0	0	113	I745 I749 F773 A776 E777 S785 R791 C792 M793 F861 L865	I745-W789 HydrophobicContact CD1-CE3 4.37Å; I745-W789 HydrophobicContact CD1-CZ3 4.35Å; I745-W789 HydrophobicContact CG1-CE3 4.24Å; I745-W789 HydrophobicContact CG1-CZ3 3.77Å; I749-W789 HydrophobicContact CD1-CH2 4.04Å; I749-W789 HydrophobicContact CD1-CZ3 4.01Å; I749-W789 HydrophobicContact CG1-CZ3 4.26Å; F773-W789 HydrophobicContact CD2-CH2 4.44Å; F773-W789 HydrophobicContact CE2-CH2 4.21Å; A776-W789 HydrophobicContact CB-CZ2 4.44Å; A776-W789 PolarHBondContact O-NE1 3.3Å; E777-W789 HydrophobicContact CB-CZ2 3.92Å; E777-W789 WeakPolarHBondContact OE2-CZ2 3.28Å; S785-W789 PolarHBondContact O-N 3.28Å; S785-W789 PolarHBondContact OG-NE1 2.7Å; S785-W789 VanDerWaalsContact OG-NE1 3.17Å; W789-R791 VanDerWaalsContact C-N 3.31Å; W789-R791 PolarHBondContact O-N 3.49Å; W789-C792 HydrophobicContact CE3-CB 4.36Å; W789-C792 PolarHBondContact O-N 3.39Å; W789-M793 WeakPolarHBondContact O-CG 3.35Å; W789-M793 PolarHBondContact O-N 2.73Å; W789-F861 HydrophobicContact CB-CD1 3.56Å; W789-F861 HydrophobicContact CB-CD2 4.22Å; W789-F861 HydrophobicContact CB-CE1 3.45Å; W789-F861 VanDerWaalsContact CB-CE1 3.45Å; W789-F861 HydrophobicContact CB-CE2 4.14Å; W789-F861 HydrophobicContact CB-CG 3.96Å; W789-F861 HydrophobicContact CB-CZ 3.75Å; W789-F861 HydrophobicContact CG-CD1 4.4Å; W789-F861 HydrophobicContact CG-CG 4.39Å; W789-L865 HydrophobicContact CB-CD1 4.23Å; W789-L865 HydrophobicContact CD2-CD1 3.86Å; W789-L865 HydrophobicContact CE3-CD1 3.48Å; W789-L865 VanDerWaalsContact CE3-CD1 3.48Å; W789-L865 HydrophobicContact CG-CD1 4.19Å; W789-L865 HydrophobicContact CZ3-CD1 4.14Å
790	F	96.8	Very high	95	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.039	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-46.6	172.2	-175.8	-87.4	0	0	0	111.3	I786 C792 M793 D794 G799 L801 L848 L851	I786-F790 WeakPolarHBondContact O-CB 3.4Å; I786-F790 PolarHBondContact O-N 3.04Å; F790-C792 VanDerWaalsContact C-N 3.32Å; F790-C792 PolarHBondContact O-N 3.3Å; F790-M793 PolarHBondContact O-N 2.86Å; F790-D794 HydrophobicContact CE1-CB 4.28Å; F790-D794 WeakPolarHBondContact O-CB 3.49Å; F790-D794 PolarHBondContact O-N 3.25Å; F790-G799 VanDerWaalsContact CZ-O 3.29Å; F790-G799 WeakPolarHBondContact CZ-O 3.04Å; F790-L801 HydrophobicContact CD2-CD1 3.98Å; F790-L801 HydrophobicContact CD2-CD2 4.38Å; F790-L801 HydrophobicContact CD2-CG 3.95Å; F790-L801 HydrophobicContact CE2-CD1 4.12Å; F790-L801 HydrophobicContact CE2-CD2 4.22Å; F790-L801 HydrophobicContact CE2-CG 3.64Å; F790-L801 HydrophobicContact CZ-CG 4.31Å; F790-L848 HydrophobicContact CB-CD1 3.85Å; F790-L848 HydrophobicContact CD1-CB 4.04Å; F790-L848 HydrophobicContact CD1-CD1 4.39Å; F790-L848 HydrophobicContact CD2-CB 4.07Å; F790-L848 HydrophobicContact CD2-CD1 4.34Å; F790-L848 HydrophobicContact CE1-CB 4.07Å; F790-L848 HydrophobicContact CE2-CB 4.05Å; F790-L848 HydrophobicContact CG-CB 4.05Å; F790-L848 HydrophobicContact CG-CD1 3.93Å; F790-L848 HydrophobicContact CZ-CB 4.08Å; F790-L851 HydrophobicContact CD2-CD1 3.79Å
791	R	94.8	Very high	95.1	Very high	38 Å²	38	34.9 Å²	34.9	14%	0.143	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-34	178	-72.1	175.1	68.7	179.4	-0.7	112.9	W671 A753 V754 E787 Y788 W789	W671-R791 VanDerWaalsContact CZ3-NH1 3.32Å; A753-R791 PolarHBondContact O-NE 3.06Å; A753-R791 PolarHBondContact O-NH2 3.47Å; V754-R791 HydrophobicContact CG1-CB 4.03Å; E787-R791 WeakPolarHBondContact O-CB 3.4Å; E787-R791 VanDerWaalsContact O-CG 3.23Å; E787-R791 WeakPolarHBondContact O-CG 3.29Å; E787-R791 PolarHBondContact O-N 3.28Å; Y788-R791 PolarHBondContact O-N 2.81Å; W789-R791 VanDerWaalsContact C-N 3.31Å; W789-R791 PolarHBondContact O-N 3.49Å
792	C	95.4	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.6	-40.4	173.4	-72.8	0	0	0	0	111.6	I745 R748 Y788 W789 F790	I745-C792 HydrophobicContact CD1-CB 3.64Å; R748-C792 HydrophobicContact CB-CB 4.18Å; R748-C792 WeakPolarHBondContact CB-O 3.35Å; R748-C792 WeakPolarHBondContact CG-O 3.37Å; R748-C792 PolarHBondContact NE-O 3.17Å; Y788-C792 PolarHBondContact O-N 3.19Å; Y788-C792 PolarHBondContact O-SG 3.2Å; W789-C792 HydrophobicContact CE3-CB 4.36Å; W789-C792 PolarHBondContact O-N 3.39Å; F790-C792 VanDerWaalsContact C-N 3.32Å; F790-C792 PolarHBondContact O-N 3.3Å
793	M	96.9	Very high	95.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-79.8	-28.9	-177.3	-69	-177.3	76.1	0	0	114.4	W789 F790 L795 L801 L806 F809 F860 F861 F864 L865	W789-M793 WeakPolarHBondContact O-CG 3.35Å; W789-M793 PolarHBondContact O-N 2.73Å; F790-M793 PolarHBondContact O-N 2.86Å; M793-L795 PolarHBondContact O-N 3.42Å; M793-L801 HydrophobicContact CB-CD1 4.2Å; M793-L801 HydrophobicContact CB-CD2 3.56Å; M793-L801 HydrophobicContact CE-CD1 4.29Å; M793-L801 HydrophobicContact SD-CD1 4.21Å; M793-L806 HydrophobicContact CE-CD2 3.86Å; M793-F809 HydrophobicContact CB-CD2 4.41Å; M793-F809 HydrophobicContact CB-CE2 3.91Å; M793-F809 HydrophobicContact CE-CD2 3.93Å; M793-F809 HydrophobicContact CG-CD2 4.16Å; M793-F809 HydrophobicContact CG-CE2 3.95Å; M793-F809 HydrophobicContact CG-CZ 4.41Å; M793-F860 HydrophobicContact CE-CE1 4.43Å; M793-F860 HydrophobicContact SD-CE1 4.31Å; M793-F861 HydrophobicContact SD-CD1 3.76Å; M793-F861 HydrophobicContact SD-CE1 3.97Å; M793-F864 HydrophobicContact CE-CB 3.87Å; M793-F864 HydrophobicContact CE-CD2 3.92Å; M793-F864 HydrophobicContact CE-CG 3.91Å; M793-L865 HydrophobicContact CG-CD2 4.11Å; M793-L865 HydrophobicContact SD-CD1 4.3Å; M793-L865 HydrophobicContact SD-CD2 4.21Å; M793-L865 HydrophobicContact SD-CG 4.45Å
794	D	96	Very high	95.3	Very high	17 Å²	17	33.9 Å²	33.9	9%	0.091	18%	0.18	C	C	.	.			trans	-70.8	95.6	174.7	-177.1	-3	0	0	0	109.2	R748 F790 G797 D798 G799 L801	R748-D794 PolarHBondContact NH2-O 3.33Å; F790-D794 HydrophobicContact CE1-CB 4.28Å; F790-D794 WeakPolarHBondContact O-CB 3.49Å; F790-D794 PolarHBondContact O-N 3.25Å; D794-G797 WeakPolarHBondContact OD1-CA 3.42Å; D794-G797 PolarHBondContact OD1-N 2.91Å; D794-G797 WeakPolarHBondContact OD2-CA 3.39Å; D794-D798 PolarHBondContact OD1-N 3.03Å; D794-G799 WeakPolarHBondContact OD2-CA 3.4Å; D794-G799 PolarHBondContact OD2-N 2.78Å; D794-L801 HydrophobicContact CB-CD2 4.18Å
795	L	94.5	Very high	95.4	Very high	50 Å²	50	33.5 Å²	33.5	26%	0.262	18%	0.179	S	C	.	.	S	Bend	trans	-76.3	-33.2	-171.7	-66.5	-175.5	0	0	0	111.8	R748 M793 Y804 E805 H808 F809	R748-L795 HydrophobicContact CG-CD2 4.25Å; M793-L795 PolarHBondContact O-N 3.42Å; L795-Y804 HydrophobicContact CD1-CE1 4.48Å; L795-E805 HydrophobicContact CB-CG 4.08Å; L795-E805 HydrophobicContact CD1-CG 3.94Å; L795-E805 HydrophobicContact CG-CG 3.88Å; L795-E805 PolarHBondContact N-OE1 3.45Å; L795-H808 HydrophobicContact CD1-CB 4.48Å; L795-F809 HydrophobicContact CD2-CE2 4.2Å; L795-F809 HydrophobicContact CD2-CZ 3.87Å; L795-F809 HydrophobicContact CG-CE2 4.39Å
796	D	93.2	Very high	95.5	Very high	109 Å²	109	33.7 Å²	33.7	58%	0.583	18%	0.179	S	C	*	.	S	Bend	trans	-102.1	-12.2	-177.1	69.6	14.2	0	0	0	114.2	D798	D796-D798 VanDerWaalsContact OD1-CB 3.3Å; D796-D798 WeakPolarHBondContact OD1-CB 3.44Å; D796-D798 PolarHBondContact OD1-N 2.89Å
797	G	91	Very high	95.5	Very high	43 Å²	43	35.7 Å²	35.7	44%	0.443	19%	0.189	S	C	.	.			trans	78.2	23.4	176.2	0	0	0	0	0	113.7	D794 G799	D794-G797 WeakPolarHBondContact OD1-CA 3.42Å; D794-G797 PolarHBondContact OD1-N 2.91Å; D794-G797 WeakPolarHBondContact OD2-CA 3.39Å; G797-G799 VanDerWaalsContact C-N 3.3Å
798	D	93.8	Very high	95.6	Very high	78 Å²	78	36.7 Å²	36.7	42%	0.417	19%	0.193	S	C	.	.	S	Bend	trans	-81.4	-7.9	-178	88.1	-11.8	0	0	0	113.9	D794 D796 Y800	D794-D798 PolarHBondContact OD1-N 3.03Å; D796-D798 VanDerWaalsContact OD1-CB 3.3Å; D796-D798 WeakPolarHBondContact OD1-CB 3.44Å; D796-D798 PolarHBondContact OD1-N 2.89Å; D798-Y800 WeakPolarHBondContact OD1-CA 3.13Å; D798-Y800 WeakPolarHBondContact OD1-CB 3.28Å; D798-Y800 PolarHBondContact OD1-N 3.43Å
799	G	94.5	Very high	95.7	Very high	34 Å²	34	36.7 Å²	36.7	35%	0.351	19%	0.193	S	C	.	.	S	Bend	trans	84.9	14.8	-179.2	0	0	0	0	0	114.6	F790 D794 G797	F790-G799 VanDerWaalsContact CZ-O 3.29Å; F790-G799 WeakPolarHBondContact CZ-O 3.04Å; D794-G799 WeakPolarHBondContact OD2-CA 3.4Å; D794-G799 PolarHBondContact OD2-N 2.78Å; G797-G799 VanDerWaalsContact C-N 3.3Å
800	Y	96.7	Very high	95.8	Very high	79 Å²	79	37 Å²	37	31%	0.31	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152	174.6	-60.6	-80.3	0	0	0	111.6	D798 K845 I846	D798-Y800 WeakPolarHBondContact OD1-CA 3.13Å; D798-Y800 WeakPolarHBondContact OD1-CB 3.28Å; D798-Y800 PolarHBondContact OD1-N 3.43Å; Y800-K845 HydrophobicContact CD1-CB 4.48Å; Y800-K845 HydrophobicContact CD1-CD 3.8Å; Y800-K845 HydrophobicContact CD1-CG 3.81Å; Y800-K845 HydrophobicContact CD2-CD 4.32Å; Y800-K845 HydrophobicContact CE1-CD 4.18Å; Y800-K845 HydrophobicContact CE1-CG 4.39Å; Y800-K845 HydrophobicContact CG-CD 3.86Å; Y800-K845 HydrophobicContact CG-CG 4.19Å; Y800-K845 VanDerWaalsContact CZ-CE 3.49Å; Y800-I846 CarbonylContact C-O 3.54Å; Y800-I846 WeakPolarHBondContact CA-O 3.47Å
801	L	97.2	Very high	95.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.1	165.3	-56.3	179.1	0	0	0	108.5	F790 M793 D794 E805 L806 I846 L851 F860	F790-L801 HydrophobicContact CD2-CD1 3.98Å; F790-L801 HydrophobicContact CD2-CD2 4.38Å; F790-L801 HydrophobicContact CD2-CG 3.95Å; F790-L801 HydrophobicContact CE2-CD1 4.12Å; F790-L801 HydrophobicContact CE2-CD2 4.22Å; F790-L801 HydrophobicContact CE2-CG 3.64Å; F790-L801 HydrophobicContact CZ-CG 4.31Å; M793-L801 HydrophobicContact CB-CD1 4.2Å; M793-L801 HydrophobicContact CB-CD2 3.56Å; M793-L801 HydrophobicContact CE-CD1 4.29Å; M793-L801 HydrophobicContact SD-CD1 4.21Å; D794-L801 HydrophobicContact CB-CD2 4.18Å; L801-E805 WeakPolarHBondContact CA-OE2 3.41Å; L801-L806 HydrophobicContact CB-CD2 4.28Å; L801-L806 HydrophobicContact CD1-CD2 4.45Å; L801-I846 HydrophobicContact CB-CB 4.3Å; L801-I846 PolarHBondContact N-O 2.82Å; L801-I846 PolarHBondContact O-N 3.49Å; L801-L851 HydrophobicContact CD1-CD1 4.23Å; L801-F860 HydrophobicContact CD1-CE1 3.92Å; L801-F860 HydrophobicContact CD1-CZ 3.93Å
802	S	94.8	Very high	95.9	Very high	17 Å²	17	40.5 Å²	40.5	12%	0.119	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	160.5	174.5	70.7	0	0	0	0	111.3	Y804 E805 L806	S802-Y804 PolarHBondContact O-N 2.98Å; S802-Y804 VanDerWaalsContact O-N 3.15Å; S802-E805 WeakPolarHBondContact CB-OE2 3.18Å; S802-E805 PolarHBondContact N-OE2 3.44Å; S802-E805 PolarHBondContact O-N 3.4Å; S802-E805 VanDerWaalsContact O-N 3.12Å; S802-E805 PolarHBondContact OG-N 3.26Å; S802-E805 PolarHBondContact OG-OE2 3.25Å; S802-L806 WeakPolarHBondContact O-CG 3.41Å; S802-L806 PolarHBondContact O-N 3.26Å
803	I	95.1	Very high	95.9	Very high	47 Å²	47	40.6 Å²	40.6	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-56	-32.7	174.2	-59.3	173.7	0	0	0	111.4	F193 L806 E807 F827 L831	F193-I803 HydrophobicContact CE2-CD1 4.18Å; I803-L806 PolarHBondContact O-N 2.66Å; I803-E807 VanDerWaalsContact O-CB 3.31Å; I803-E807 WeakPolarHBondContact O-CB 3.16Å; I803-E807 PolarHBondContact O-N 2.92Å; I803-F827 HydrophobicContact CG2-CE1 3.78Å; I803-F827 HydrophobicContact CG2-CZ 3.89Å; I803-L831 HydrophobicContact CD1-CD2 4.19Å; I803-L831 HydrophobicContact CG1-CD1 4.26Å; I803-L831 HydrophobicContact CG1-CD2 4.3Å; I803-L831 HydrophobicContact CG2-CD1 4.47Å; I803-L831 HydrophobicContact CG2-CD2 3.86Å
804	Y	95.5	Very high	95.8	Very high	142 Å²	142	41.6 Å²	41.6	56%	0.557	22%	0.22	S	C	*	.	H	α-helix	trans	-63.4	-43.4	178.8	172.9	-100.7	0	0	0	112.1	L795 S802 E807 H808	L795-Y804 HydrophobicContact CD1-CE1 4.48Å; S802-Y804 PolarHBondContact O-N 2.98Å; S802-Y804 VanDerWaalsContact O-N 3.15Å; Y804-E807 PolarHBondContact O-N 3.13Å; Y804-H808 WeakPolarHBondContact O-CB 3.2Å; Y804-H808 PolarHBondContact O-N 3.35Å
805	E	97.1	Very high	95.8	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-70	-39.7	179.6	-66.6	156.7	128.4	0	0	111	L795 L801 S802 E807 H808 F809	L795-E805 HydrophobicContact CB-CG 4.08Å; L795-E805 HydrophobicContact CD1-CG 3.94Å; L795-E805 HydrophobicContact CG-CG 3.88Å; L795-E805 PolarHBondContact N-OE1 3.45Å; L801-E805 WeakPolarHBondContact CA-OE2 3.41Å; S802-E805 WeakPolarHBondContact CB-OE2 3.18Å; S802-E805 PolarHBondContact N-OE2 3.44Å; S802-E805 PolarHBondContact O-N 3.4Å; S802-E805 VanDerWaalsContact O-N 3.12Å; S802-E805 PolarHBondContact OG-N 3.26Å; S802-E805 PolarHBondContact OG-OE2 3.25Å; E805-E807 PolarHBondContact O-N 3.21Å; E805-H808 WeakPolarHBondContact O-CB 3.25Å; E805-H808 PolarHBondContact O-N 3.37Å; E805-F809 WeakPolarHBondContact O-CD2 3Å; E805-F809 PolarHBondContact O-N 3.33Å
806	L	97.1	Very high	95.8	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-45.2	173.6	-58.2	-177.1	0	0	0	111.4	M793 L801 S802 I803 H808 F809 Y810 F827 L831 I846 F860 F864	M793-L806 HydrophobicContact CE-CD2 3.86Å; L801-L806 HydrophobicContact CB-CD2 4.28Å; L801-L806 HydrophobicContact CD1-CD2 4.45Å; S802-L806 WeakPolarHBondContact O-CG 3.41Å; S802-L806 PolarHBondContact O-N 3.26Å; I803-L806 PolarHBondContact O-N 2.66Å; L806-H808 VanDerWaalsContact C-N 3.31Å; L806-H808 PolarHBondContact O-N 2.9Å; L806-F809 PolarHBondContact O-N 3.47Å; L806-Y810 VanDerWaalsContact O-CB 3.25Å; L806-Y810 WeakPolarHBondContact O-CB 3.36Å; L806-Y810 PolarHBondContact O-N 3.26Å; L806-F827 HydrophobicContact CB-CE2 4.09Å; L806-F827 HydrophobicContact CB-CZ 4.16Å; L806-L831 HydrophobicContact CD1-CD1 4.03Å; L806-I846 HydrophobicContact CD1-CD1 4.17Å; L806-F860 HydrophobicContact CD2-CE2 4.31Å; L806-F860 HydrophobicContact CD2-CZ 3.78Å; L806-F864 HydrophobicContact CB-CE1 3.89Å; L806-F864 HydrophobicContact CB-CZ 4.05Å; L806-F864 HydrophobicContact CD1-CZ 4.48Å; L806-F864 HydrophobicContact CD2-CD2 4.44Å; L806-F864 HydrophobicContact CD2-CE1 4.31Å; L806-F864 HydrophobicContact CD2-CE2 4.01Å; L806-F864 HydrophobicContact CD2-CZ 3.93Å; L806-F864 HydrophobicContact CG-CZ 4.36Å; L806-F864 WeakPolarHBondContact O-CE1 3.5Å
807	E	97.1	Very high	95.9	Very high	52 Å²	52	39.1 Å²	39.1	24%	0.243	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-41.3	175.6	-168.5	174.8	-149.9	0	0	110.7	K196 I803 Y804 E805 Y810 E811 F827	K196-E807 IonicContact NZ-OE1 2.77Å; K196-E807 IonicContact NZ-OE2 3.82Å; K196-E807 PolarHBondContact NZ-OE2 3.35Å; I803-E807 VanDerWaalsContact O-CB 3.31Å; I803-E807 WeakPolarHBondContact O-CB 3.16Å; I803-E807 PolarHBondContact O-N 2.92Å; Y804-E807 PolarHBondContact O-N 3.13Å; E805-E807 PolarHBondContact O-N 3.21Å; E807-Y810 PolarHBondContact O-N 3.24Å; E807-E811 WeakPolarHBondContact O-CB 3.42Å; E807-E811 PolarHBondContact O-N 3.49Å; E807-F827 VanDerWaalsContact CA-CE2 3.44Å; E807-F827 HydrophobicContact CB-CD1 4.22Å; E807-F827 HydrophobicContact CB-CD2 4.48Å; E807-F827 HydrophobicContact CB-CE1 3.66Å; E807-F827 HydrophobicContact CB-CE2 3.96Å; E807-F827 HydrophobicContact CB-CZ 3.52Å; E807-F827 HydrophobicContact CG-CD1 3.97Å; E807-F827 HydrophobicContact CG-CE1 3.89Å; E807-F827 HydrophobicContact CG-CG 4.34Å; E807-F827 HydrophobicContact CG-CZ 4.2Å
808	H	97.4	Very high	96.1	Very high	50 Å²	50	42.6 Å²	42.6	23%	0.231	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-47.1	178.6	179.4	74.9	0	0	0	112.5	R744 L795 Y804 E805 L806	R744-H808 WeakPolarHBondContact CD-O 3.49Å; R744-H808 PolarHBondContact NH1-CE1 2.94Å; R744-H808 PolarHBondContact NH1-ND1 3.48Å; R744-H808 PolarHBondContact NH1-O 3.32Å; L795-H808 HydrophobicContact CD1-CB 4.48Å; Y804-H808 WeakPolarHBondContact O-CB 3.2Å; Y804-H808 PolarHBondContact O-N 3.35Å; E805-H808 WeakPolarHBondContact O-CB 3.25Å; E805-H808 PolarHBondContact O-N 3.37Å; L806-H808 VanDerWaalsContact C-N 3.31Å; L806-H808 PolarHBondContact O-N 2.9Å
809	F	98	Very high	96	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-74.6	-37	177.9	-68.9	-71.8	0	0	0	112.2	R744 I745 R748 M793 L795 E805 L806 E811 E812 Q813 F864 L865	R744-F809 HydrophobicContact CB-CD1 4.16Å; R744-F809 HydrophobicContact CB-CE1 4.15Å; I745-F809 HydrophobicContact CB-CE1 4.47Å; I745-F809 HydrophobicContact CD1-CE1 3.91Å; I745-F809 HydrophobicContact CD1-CZ 4.33Å; R748-F809 HydrophobicContact CG-CE1 4.22Å; R748-F809 HydrophobicContact CG-CZ 4.05Å; M793-F809 HydrophobicContact CB-CD2 4.41Å; M793-F809 HydrophobicContact CB-CE2 3.91Å; M793-F809 HydrophobicContact CE-CD2 3.93Å; M793-F809 HydrophobicContact CG-CD2 4.16Å; M793-F809 HydrophobicContact CG-CE2 3.95Å; M793-F809 HydrophobicContact CG-CZ 4.41Å; L795-F809 HydrophobicContact CD2-CE2 4.2Å; L795-F809 HydrophobicContact CD2-CZ 3.87Å; L795-F809 HydrophobicContact CG-CE2 4.39Å; E805-F809 WeakPolarHBondContact O-CD2 3Å; E805-F809 PolarHBondContact O-N 3.33Å; L806-F809 PolarHBondContact O-N 3.47Å; F809-E811 PolarHBondContact O-N 3.12Å; F809-E812 PolarHBondContact O-N 3.44Å; F809-Q813 PolarHBondContact O-N 2.88Å; F809-F864 HydrophobicContact CB-CB 3.94Å; F809-F864 HydrophobicContact CB-CD1 4.34Å; F809-L865 HydrophobicContact CD1-CD2 4.19Å; F809-L865 HydrophobicContact CG-CD2 4.35Å
810	Y	97.8	Very high	95.8	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-69.1	-34.6	-177.4	-168.3	-107.9	0	0	0	113.7	L806 E807 E812 Q813 S814 P825 F827 I830 T863 F864	L806-Y810 VanDerWaalsContact O-CB 3.25Å; L806-Y810 WeakPolarHBondContact O-CB 3.36Å; L806-Y810 PolarHBondContact O-N 3.26Å; E807-Y810 PolarHBondContact O-N 3.24Å; Y810-E812 VanDerWaalsContact C-N 3.28Å; Y810-E812 PolarHBondContact O-N 2.98Å; Y810-Q813 HydrophobicContact CD2-CB 4.37Å; Y810-Q813 PolarHBondContact O-N 3.41Å; Y810-Q813 VanDerWaalsContact O-N 3.1Å; Y810-S814 PolarHBondContact O-N 3.24Å; Y810-S814 PolarHBondContact O-OG 3.49Å; Y810-P825 WeakPolarHBondContact OH-CD 3.39Å; Y810-P825 PolarHBondContact OH-O 2.84Å; Y810-F827 HydrophobicContact CD1-CB 3.99Å; Y810-F827 AromaticContact CD1-CD2 3.75Å; Y810-F827 HydrophobicContact CD1-CD2 3.75Å; Y810-F827 HydrophobicContact CD1-CG 4.35Å; Y810-F827 HydrophobicContact CE1-CB 4.37Å; Y810-F827 HydrophobicContact CG-CD2 4.06Å; Y810-I830 HydrophobicContact CD2-CG1 4.42Å; Y810-I830 HydrophobicContact CD2-CG2 4.16Å; Y810-I830 HydrophobicContact CE1-CG1 3.96Å; Y810-I830 HydrophobicContact CE2-CB 4.4Å; Y810-I830 HydrophobicContact CE2-CD1 4.32Å; Y810-I830 HydrophobicContact CE2-CG1 3.69Å; Y810-I830 HydrophobicContact CE2-CG2 4.19Å; Y810-I830 VanDerWaalsContact CZ-CG1 3.42Å; Y810-I830 WeakPolarHBondContact OH-CG1 3.37Å; Y810-T863 HydrophobicContact CD2-CG2 4.38Å; Y810-T863 HydrophobicContact CE2-CG2 4.29Å; Y810-F864 HydrophobicContact CD2-CD1 4.31Å; Y810-F864 HydrophobicContact CD2-CE1 4.34Å; Y810-F864 HydrophobicContact CG-CE1 4.41Å
811	E	97.6	Very high	95.6	Very high	100 Å²	100	50.8 Å²	50.8	47%	0.467	24%	0.239	S	C	.	.	H	α-helix	trans	-53.2	-47.2	177	-178.4	-175.4	-142.5	0	0	111.2	R744 E807 F809 S814 M815	R744-E811 IonicContact CZ-OE2 3.27Å; R744-E811 IonicContact NH1-OE2 2.68Å; R744-E811 PolarHBondContact NH1-OE2 3.22Å; R744-E811 IonicContact NH2-OE2 3.43Å; R744-E811 PolarHBondContact NH2-OE2 2.77Å; E807-E811 WeakPolarHBondContact O-CB 3.42Å; E807-E811 PolarHBondContact O-N 3.49Å; F809-E811 PolarHBondContact O-N 3.12Å; E811-S814 PolarHBondContact O-N 3.48Å; E811-S814 PolarHBondContact O-OG 3.46Å; E811-M815 WeakPolarHBondContact O-CG 3.13Å; E811-M815 PolarHBondContact O-N 2.91Å
812	E	97.2	Very high	95.3	Very high	22 Å²	22	55.1 Å²	55.1	10%	0.103	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-40.3	176.9	-172.6	-179.6	173.9	0	0	112.3	S743 R744 F809 Y810 S814 M815 R816	S743-E812 WeakPolarHBondContact CA-OE1 3.36Å; S743-E812 WeakPolarHBondContact CB-OE1 3.28Å; S743-E812 PolarHBondContact N-OE1 3.32Å; S743-E812 VanDerWaalsContact OG-CD 3.25Å; S743-E812 PolarHBondContact OG-OE1 3.46Å; S743-E812 PolarHBondContact OG-OE2 3.18Å; R744-E812 WeakPolarHBondContact CB-OE2 3.45Å; R744-E812 VanDerWaalsContact CD-OE2 3.25Å; R744-E812 WeakPolarHBondContact CD-OE2 3.32Å; R744-E812 WeakPolarHBondContact CG-OE2 3.44Å; R744-E812 PolarHBondContact N-OE2 3.12Å; R744-E812 IonicContact NE-OE2 3.66Å; F809-E812 PolarHBondContact O-N 3.44Å; Y810-E812 VanDerWaalsContact C-N 3.28Å; Y810-E812 PolarHBondContact O-N 2.98Å; E812-S814 VanDerWaalsContact C-N 3.33Å; E812-S814 PolarHBondContact O-N 3.15Å; E812-M815 PolarHBondContact O-N 3.1Å; E812-R816 HydrophobicContact CG-CG 4.35Å; E812-R816 VanDerWaalsContact O-CG 3.25Å; E812-R816 WeakPolarHBondContact O-CG 3.43Å; E812-R816 PolarHBondContact O-N 2.93Å
813	Q	94.7	Very high	95.1	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-41.4	176.6	-71.5	-65.2	99.1	0	0	112.3	F809 Y810 R816 L817 F864	F809-Q813 PolarHBondContact O-N 2.88Å; Y810-Q813 HydrophobicContact CD2-CB 4.37Å; Y810-Q813 PolarHBondContact O-N 3.41Å; Y810-Q813 VanDerWaalsContact O-N 3.1Å; Q813-R816 PolarHBondContact O-N 3.22Å; Q813-L817 WeakPolarHBondContact O-CG 3.32Å; Q813-L817 PolarHBondContact O-N 2.96Å; Q813-F864 VanDerWaalsContact CG-C 3.49Å; Q813-F864 WeakPolarHBondContact CG-O 3.41Å
814	S	95.9	Very high	95	Very high	22 Å²	22	59 Å²	59	15%	0.154	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-45.5	176.4	63.9	0	0	0	0	111.8	Y810 E811 E812 R816 L817 E818	Y810-S814 PolarHBondContact O-N 3.24Å; Y810-S814 PolarHBondContact O-OG 3.49Å; E811-S814 PolarHBondContact O-N 3.48Å; E811-S814 PolarHBondContact O-OG 3.46Å; E812-S814 VanDerWaalsContact C-N 3.33Å; E812-S814 PolarHBondContact O-N 3.15Å; S814-R816 VanDerWaalsContact C-N 3.33Å; S814-R816 PolarHBondContact O-N 2.89Å; S814-L817 PolarHBondContact O-N 3.33Å; S814-E818 WeakPolarHBondContact O-CG 3.49Å; S814-E818 PolarHBondContact O-N 2.99Å
815	M	96.3	Very high	94.9	Very high	96 Å²	96	54.8 Å²	54.8	47%	0.473	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-43.6	176.2	-68	173.3	61	0	0	111.6	E811 E812 L817 E818 E819	E811-M815 WeakPolarHBondContact O-CG 3.13Å; E811-M815 PolarHBondContact O-N 2.91Å; E812-M815 PolarHBondContact O-N 3.1Å; M815-L817 VanDerWaalsContact C-N 3.27Å; M815-L817 PolarHBondContact O-N 3.02Å; M815-E818 PolarHBondContact O-N 3.04Å; M815-E819 WeakPolarHBondContact O-CG 3.49Å; M815-E819 PolarHBondContact O-N 3.46Å
816	R	94.5	Very high	94.9	Very high	22 Å²	22	57.4 Å²	57.4	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-68.6	-23.7	179.7	-68.5	174.6	70.3	-147.2	3.7	113.7	Y739 A740 L741 S742 E812 Q813 S814 R867	Y739-R816 PolarHBondContact O-NH2 3.42Å; A740-R816 VanDerWaalsContact C-NH2 3.32Å; A740-R816 PolarHBondContact O-NH1 2.95Å; A740-R816 VanDerWaalsContact O-NH1 3.11Å; A740-R816 PolarHBondContact O-NH2 3.5Å; L741-R816 VanDerWaalsContact C-NH1 3.28Å; L741-R816 PolarHBondContact O-NH1 3.32Å; L741-R816 PolarHBondContact O-NH2 3.09Å; S742-R816 VanDerWaalsContact CA-NH1 3.31Å; S742-R816 VanDerWaalsContact N-NH1 3.12Å; E812-R816 HydrophobicContact CG-CG 4.35Å; E812-R816 VanDerWaalsContact O-CG 3.25Å; E812-R816 WeakPolarHBondContact O-CG 3.43Å; E812-R816 PolarHBondContact O-N 2.93Å; Q813-R816 PolarHBondContact O-N 3.22Å; S814-R816 VanDerWaalsContact C-N 3.33Å; S814-R816 PolarHBondContact O-N 2.89Å; R816-R867 WeakPolarHBondContact O-CD 3.33Å; R816-R867 PolarHBondContact O-NH1 3.05Å
817	L	94.3	Very high	94.9	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-78.5	-41.8	171.2	-73.6	169.8	0	0	0	111	Q813 S814 M815 E819 M820 F822 P824 R867 Y870 L871	Q813-L817 WeakPolarHBondContact O-CG 3.32Å; Q813-L817 PolarHBondContact O-N 2.96Å; S814-L817 PolarHBondContact O-N 3.33Å; M815-L817 VanDerWaalsContact C-N 3.27Å; M815-L817 PolarHBondContact O-N 3.02Å; L817-E819 VanDerWaalsContact C-N 3.3Å; L817-E819 PolarHBondContact O-N 3.2Å; L817-M820 CarbonylContact O-C 3.56Å; L817-M820 PolarHBondContact O-N 3.31Å; L817-F822 HydrophobicContact CB-CB 4.33Å; L817-F822 WeakPolarHBondContact O-CB 3.36Å; L817-F822 PolarHBondContact O-N 3.37Å; L817-F822 VanDerWaalsContact O-N 3.08Å; L817-P824 HydrophobicContact CB-CB 4.25Å; L817-P824 HydrophobicContact CD1-CB 4.11Å; L817-R867 HydrophobicContact CD2-CG 3.95Å; L817-Y870 HydrophobicContact CD1-CD1 4.41Å; L817-Y870 HydrophobicContact CD1-CE1 4.05Å; L817-L871 HydrophobicContact CD2-CD1 4.49Å; L817-L871 HydrophobicContact CD2-CD2 3.93Å; L817-L871 HydrophobicContact CD2-CG 4.31Å
818	E	94.9	Very high	94.8	Very high	116 Å²	116	58.2 Å²	58.2	54%	0.542	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-38.7	174.7	-71.6	175.3	178.2	0	0	112.2	S814 M815 M820 E821 P824	S814-E818 WeakPolarHBondContact O-CG 3.49Å; S814-E818 PolarHBondContact O-N 2.99Å; M815-E818 PolarHBondContact O-N 3.04Å; E818-M820 PolarHBondContact O-N 2.92Å; E818-E821 PolarHBondContact O-N 2.87Å; E818-P824 HydrophobicContact CG-CG 3.69Å
819	E	92.9	Very high	94.8	Very high	141 Å²	141	60.5 Å²	60.5	66%	0.659	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.9	174.3	-76.4	173.2	-179.1	0	0	113.2	M815 L817 E821	M815-E819 WeakPolarHBondContact O-CG 3.49Å; M815-E819 PolarHBondContact O-N 3.46Å; L817-E819 VanDerWaalsContact C-N 3.3Å; L817-E819 PolarHBondContact O-N 3.2Å; E819-E821 VanDerWaalsContact C-N 3.3Å
820	M	90.1	Very high	94.7	Very high	79 Å²	79	60.5 Å²	60.5	39%	0.389	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	16.1	175	-70.2	-176.3	75	0	0	112.8	L817 E818 F822 R867 L871	L817-M820 CarbonylContact O-C 3.56Å; L817-M820 PolarHBondContact O-N 3.31Å; E818-M820 PolarHBondContact O-N 2.92Å; M820-F822 HydrophobicContact CB-CD2 3.65Å; M820-F822 HydrophobicContact CB-CE2 3.92Å; M820-F822 HydrophobicContact CE-CE2 4.26Å; M820-F822 WeakPolarHBondContact O-CD2 3.29Å; M820-F822 PolarHBondContact O-N 3.41Å; M820-R867 VanDerWaalsContact SD-CD 3.51Å; M820-R867 HydrophobicContact SD-CG 4.46Å; M820-R867 PolarHBondContact SD-NE 3.35Å; M820-R867 PolarHBondContact SD-NH1 3.31Å; M820-L871 HydrophobicContact CE-CD1 4.47Å
821	E	92.1	Very high	94.5	Very high	143 Å²	143	61.5 Å²	61.5	67%	0.668	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	17.1	-179.2	-49.2	-176.5	134.9	0	0	114.3	R38 E818 E819	R38-E821 IonicContact CZ-OE2 3.63Å; R38-E821 IonicContact NH1-OE1 3.9Å; R38-E821 IonicContact NH1-OE2 3.21Å; R38-E821 PolarHBondContact NH1-OE2 3.37Å; R38-E821 IonicContact NH2-OE2 3.02Å; R38-E821 PolarHBondContact NH2-OE2 3.17Å; E818-E821 PolarHBondContact O-N 2.87Å; E819-E821 VanDerWaalsContact C-N 3.3Å
822	F	90.4	Very high	94.4	Very high	92 Å²	92	60.3 Å²	60.3	40%	0.404	33%	0.327	S	S	.	.			trans	-83.9	151.4	170.2	-68	-83.3	0	0	0	111.3	L817 M820 P824 L871	L817-F822 HydrophobicContact CB-CB 4.33Å; L817-F822 WeakPolarHBondContact O-CB 3.36Å; L817-F822 PolarHBondContact O-N 3.37Å; L817-F822 VanDerWaalsContact O-N 3.08Å; M820-F822 HydrophobicContact CB-CD2 3.65Å; M820-F822 HydrophobicContact CB-CE2 3.92Å; M820-F822 HydrophobicContact CE-CE2 4.26Å; M820-F822 WeakPolarHBondContact O-CD2 3.29Å; M820-F822 PolarHBondContact O-N 3.41Å; F822-P824 VanDerWaalsContact O-CD 3.23Å; F822-P824 WeakPolarHBondContact O-CD 3.16Å; F822-L871 HydrophobicContact CE1-CD2 4.4Å; F822-L871 HydrophobicContact CE2-CD1 4.17Å; F822-L871 HydrophobicContact CE2-CD2 4.36Å; F822-L871 HydrophobicContact CZ-CD1 4.47Å; F822-L871 HydrophobicContact CZ-CD2 4.25Å
823	C	91.8	Very high	94.3	Very high	125 Å²	125	62.8 Å²	62.8	85%	0.845	34%	0.339	S	S	*	.			trans	-95.1	99.5	171.2	-171.3	0	0	0	0	108.7
824	P	92.7	Very high	94.3	Very high	22 Å²	22	62.7 Å²	62.7	14%	0.143	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67.6	145.7	-178.1	30	-37.2	0	0	0	110.9	L817 E818 F822	L817-P824 HydrophobicContact CB-CB 4.25Å; L817-P824 HydrophobicContact CD1-CB 4.11Å; E818-P824 HydrophobicContact CG-CG 3.69Å; F822-P824 VanDerWaalsContact O-CD 3.23Å; F822-P824 WeakPolarHBondContact O-CD 3.16Å
825	P	93.4	Very high	94.2	Very high	53 Å²	53	63.7 Å²	63.7	34%	0.344	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-57.2	155.6	168.8	-23.9	34	0	0	0	112	Y810 I830	Y810-P825 WeakPolarHBondContact OH-CD 3.39Å; Y810-P825 PolarHBondContact OH-O 2.84Å; P825-I830 HydrophobicContact CB-CD1 3.82Å; P825-I830 HydrophobicContact CB-CG1 3.96Å; P825-I830 HydrophobicContact CG-CD1 3.99Å
826	S	96	Very high	94.1	Very high	56 Å²	56	64.9 Å²	64.9	39%	0.392	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-68.4	149.8	173.6	83.2	0	0	0	0	110.1	A828 D829 I830	S826-A828 PolarHBondContact O-N 3.49Å; S826-A828 VanDerWaalsContact O-N 3.15Å; S826-D829 WeakPolarHBondContact CB-OD2 3.27Å; S826-D829 PolarHBondContact O-N 3.35Å; S826-D829 PolarHBondContact OG-N 3.1Å; S826-D829 PolarHBondContact OG-OD2 2.86Å; S826-I830 PolarHBondContact O-N 3.46Å; S826-I830 VanDerWaalsContact O-N 3.09Å
827	F	97	Very high	94	Very high	30 Å²	30	66 Å²	66	13%	0.132	36%	0.358	C	S	.	.	H	α-helix	trans	-57.1	-32.1	175.7	176.8	-112.5	0	0	0	112.4	I803 L806 E807 Y810 D829 I830 L831	I803-F827 HydrophobicContact CG2-CE1 3.78Å; I803-F827 HydrophobicContact CG2-CZ 3.89Å; L806-F827 HydrophobicContact CB-CE2 4.09Å; L806-F827 HydrophobicContact CB-CZ 4.16Å; E807-F827 VanDerWaalsContact CA-CE2 3.44Å; E807-F827 HydrophobicContact CB-CD1 4.22Å; E807-F827 HydrophobicContact CB-CD2 4.48Å; E807-F827 HydrophobicContact CB-CE1 3.66Å; E807-F827 HydrophobicContact CB-CE2 3.96Å; E807-F827 HydrophobicContact CB-CZ 3.52Å; E807-F827 HydrophobicContact CG-CD1 3.97Å; E807-F827 HydrophobicContact CG-CE1 3.89Å; E807-F827 HydrophobicContact CG-CG 4.34Å; E807-F827 HydrophobicContact CG-CZ 4.2Å; Y810-F827 HydrophobicContact CD1-CB 3.99Å; Y810-F827 AromaticContact CD1-CD2 3.75Å; Y810-F827 HydrophobicContact CD1-CD2 3.75Å; Y810-F827 HydrophobicContact CD1-CG 4.35Å; Y810-F827 HydrophobicContact CE1-CB 4.37Å; Y810-F827 HydrophobicContact CG-CD2 4.06Å; F827-D829 VanDerWaalsContact C-N 3.33Å; F827-D829 PolarHBondContact O-N 3.32Å; F827-I830 PolarHBondContact O-N 3.47Å; F827-L831 HydrophobicContact CE1-CD2 4.28Å; F827-L831 HydrophobicContact CZ-CB 4.36Å; F827-L831 HydrophobicContact CZ-CD1 4.45Å; F827-L831 HydrophobicContact CZ-CD2 4.48Å; F827-L831 WeakPolarHBondContact O-CB 3.41Å; F827-L831 PolarHBondContact O-N 2.71Å
828	A	96	Very high	94	Very high	43 Å²	43	66.2 Å²	66.2	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-39.1	176.8	0	0	0	0	0	111.9	S826 C832	S826-A828 PolarHBondContact O-N 3.49Å; S826-A828 VanDerWaalsContact O-N 3.15Å; A828-C832 PolarHBondContact O-N 3.3Å; A828-C832 VanDerWaalsContact O-N 3.1Å; A828-C832 PolarHBondContact O-SG 2.66Å
829	D	96.5	Very high	94	Very high	98 Å²	98	68.6 Å²	68.6	52%	0.524	37%	0.368	S	S	.	.	H	α-helix	trans	-71.2	-44.8	178.7	-58.5	-44.9	0	0	0	111	S826 F827 L831 C832 Q833	S826-D829 WeakPolarHBondContact CB-OD2 3.27Å; S826-D829 PolarHBondContact O-N 3.35Å; S826-D829 PolarHBondContact OG-N 3.1Å; S826-D829 PolarHBondContact OG-OD2 2.86Å; F827-D829 VanDerWaalsContact C-N 3.33Å; F827-D829 PolarHBondContact O-N 3.32Å; D829-L831 VanDerWaalsContact C-N 3.33Å; D829-L831 PolarHBondContact O-N 3.43Å; D829-C832 PolarHBondContact O-N 2.99Å; D829-Q833 WeakPolarHBondContact O-CB 3.44Å; D829-Q833 PolarHBondContact O-N 3.02Å
830	I	95.5	Very high	94	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.7	-44.8	174.2	-67.4	-56.4	0	0	0	111.1	Y810 P825 S826 F827 C832 Q833 M834 T863 F864	Y810-I830 HydrophobicContact CD2-CG1 4.42Å; Y810-I830 HydrophobicContact CD2-CG2 4.16Å; Y810-I830 HydrophobicContact CE1-CG1 3.96Å; Y810-I830 HydrophobicContact CE2-CB 4.4Å; Y810-I830 HydrophobicContact CE2-CD1 4.32Å; Y810-I830 HydrophobicContact CE2-CG1 3.69Å; Y810-I830 HydrophobicContact CE2-CG2 4.19Å; Y810-I830 VanDerWaalsContact CZ-CG1 3.42Å; Y810-I830 WeakPolarHBondContact OH-CG1 3.37Å; P825-I830 HydrophobicContact CB-CD1 3.82Å; P825-I830 HydrophobicContact CB-CG1 3.96Å; P825-I830 HydrophobicContact CG-CD1 3.99Å; S826-I830 PolarHBondContact O-N 3.46Å; S826-I830 VanDerWaalsContact O-N 3.09Å; F827-I830 PolarHBondContact O-N 3.47Å; I830-C832 VanDerWaalsContact C-N 3.32Å; I830-C832 PolarHBondContact O-N 3.11Å; I830-Q833 PolarHBondContact O-N 3.17Å; I830-M834 HydrophobicContact CG2-CG 3.98Å; I830-M834 WeakPolarHBondContact O-CB 2.95Å; I830-M834 VanDerWaalsContact O-CG 3.22Å; I830-M834 WeakPolarHBondContact O-CG 3.47Å; I830-M834 PolarHBondContact O-N 3.36Å; I830-T863 HydrophobicContact CD1-CG2 4.39Å; I830-T863 HydrophobicContact CG2-CG2 3.86Å; I830-F864 HydrophobicContact CG2-CE1 4.26Å; I830-F864 HydrophobicContact CG2-CZ 4.09Å
831	L	95.6	Very high	94.2	Very high	26 Å²	26	69.1 Å²	69.1	14%	0.136	36%	0.362	C	S	.	.	H	α-helix	trans	-59.8	-44.3	178.4	-179.8	63.3	0	0	0	111.2	I803 L806 F827 D829 M834 L835	I803-L831 HydrophobicContact CD1-CD2 4.19Å; I803-L831 HydrophobicContact CG1-CD1 4.26Å; I803-L831 HydrophobicContact CG1-CD2 4.3Å; I803-L831 HydrophobicContact CG2-CD1 4.47Å; I803-L831 HydrophobicContact CG2-CD2 3.86Å; L806-L831 HydrophobicContact CD1-CD1 4.03Å; F827-L831 HydrophobicContact CE1-CD2 4.28Å; F827-L831 HydrophobicContact CZ-CB 4.36Å; F827-L831 HydrophobicContact CZ-CD1 4.45Å; F827-L831 HydrophobicContact CZ-CD2 4.48Å; F827-L831 WeakPolarHBondContact O-CB 3.41Å; F827-L831 PolarHBondContact O-N 2.71Å; D829-L831 VanDerWaalsContact C-N 3.33Å; D829-L831 PolarHBondContact O-N 3.43Å; L831-M834 PolarHBondContact O-N 3.45Å; L831-L835 HydrophobicContact CD1-CD1 3.97Å; L831-L835 HydrophobicContact CD1-CG 4.12Å; L831-L835 HydrophobicContact CG-CD1 3.99Å; L831-L835 HydrophobicContact CG-CG 4.49Å; L831-L835 WeakPolarHBondContact O-CB 3.49Å; L831-L835 VanDerWaalsContact O-CG 3.22Å; L831-L835 WeakPolarHBondContact O-CG 3.39Å; L831-L835 PolarHBondContact O-N 2.96Å
832	C	95	Very high	94.1	Very high	74 Å²	74	66.6 Å²	66.6	50%	0.5	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-48.8	175.5	-65.3	0	0	0	0	111.2	A828 D829 I830 M834 L835 D836	A828-C832 PolarHBondContact O-N 3.3Å; A828-C832 VanDerWaalsContact O-N 3.1Å; A828-C832 PolarHBondContact O-SG 2.66Å; D829-C832 PolarHBondContact O-N 2.99Å; I830-C832 VanDerWaalsContact C-N 3.32Å; I830-C832 PolarHBondContact O-N 3.11Å; C832-M834 PolarHBondContact O-N 3.11Å; C832-L835 PolarHBondContact O-N 3.03Å; C832-D836 WeakPolarHBondContact O-CB 3.36Å; C832-D836 PolarHBondContact O-N 2.83Å
833	Q	94.3	Very high	93.8	Very high	74 Å²	74	70.5 Å²	70.5	35%	0.346	37%	0.367	S	S	.	.	H	α-helix	trans	-57.8	-47.5	178.9	-171.2	-172.4	22.8	0	0	111.6	D829 I830 D836 L837	D829-Q833 WeakPolarHBondContact O-CB 3.44Å; D829-Q833 PolarHBondContact O-N 3.02Å; I830-Q833 PolarHBondContact O-N 3.17Å; Q833-D836 PolarHBondContact O-N 2.98Å; Q833-L837 VanDerWaalsContact O-CB 3.24Å; Q833-L837 WeakPolarHBondContact O-CB 3.39Å; Q833-L837 PolarHBondContact O-N 3.47Å
834	M	94.9	Very high	93.5	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.7	-38.7	-179.1	-66.1	-56	120.6	0	0	112.5	I830 L831 C832 L837 V838 F859 F860 T863 F864	I830-M834 HydrophobicContact CG2-CG 3.98Å; I830-M834 WeakPolarHBondContact O-CB 2.95Å; I830-M834 VanDerWaalsContact O-CG 3.22Å; I830-M834 WeakPolarHBondContact O-CG 3.47Å; I830-M834 PolarHBondContact O-N 3.36Å; L831-M834 PolarHBondContact O-N 3.45Å; C832-M834 PolarHBondContact O-N 3.11Å; M834-L837 PolarHBondContact O-N 2.94Å; M834-L837 HydrophobicContact SD-CD2 4.28Å; M834-V838 WeakPolarHBondContact O-CB 3.36Å; M834-V838 WeakPolarHBondContact O-CG2 3.15Å; M834-V838 PolarHBondContact O-N 2.61Å; M834-F859 HydrophobicContact CE-CD1 3.94Å; M834-F859 HydrophobicContact CE-CE1 3.48Å; M834-F859 VanDerWaalsContact CE-CE1 3.48Å; M834-F859 HydrophobicContact CE-CZ 4.47Å; M834-F860 HydrophobicContact CB-CD2 4.1Å; M834-F860 HydrophobicContact CB-CE2 4.19Å; M834-F860 HydrophobicContact CG-CD2 4.17Å; M834-F860 HydrophobicContact CG-CE2 4.45Å; M834-F860 HydrophobicContact SD-CB 4.32Å; M834-F860 HydrophobicContact SD-CD2 3.74Å; M834-F860 HydrophobicContact SD-CG 4.41Å; M834-T863 HydrophobicContact CE-CG2 4.02Å; M834-T863 HydrophobicContact SD-CG2 4.48Å; M834-F864 HydrophobicContact CG-CE2 3.85Å; M834-F864 HydrophobicContact CG-CZ 3.84Å; M834-F864 HydrophobicContact SD-CE2 4.2Å
835	L	94	Very high	93.4	Very high	43 Å²	43	70.3 Å²	70.3	23%	0.225	35%	0.353	C	S	.	.	H	α-helix	trans	-67.9	-37.7	175.9	-70.6	174.9	0	0	0	111.8	L831 C832 K839 P840 I846	L831-L835 HydrophobicContact CD1-CD1 3.97Å; L831-L835 HydrophobicContact CD1-CG 4.12Å; L831-L835 HydrophobicContact CG-CD1 3.99Å; L831-L835 HydrophobicContact CG-CG 4.49Å; L831-L835 WeakPolarHBondContact O-CB 3.49Å; L831-L835 VanDerWaalsContact O-CG 3.22Å; L831-L835 WeakPolarHBondContact O-CG 3.39Å; L831-L835 PolarHBondContact O-N 2.96Å; C832-L835 PolarHBondContact O-N 3.03Å; L835-K839 WeakPolarHBondContact O-CA 3.33Å; L835-K839 PolarHBondContact O-N 3.22Å; L835-P840 HydrophobicContact CD2-CG 3.82Å; L835-P840 WeakPolarHBondContact O-CD 3.45Å; L835-I846 HydrophobicContact CD2-CD1 4.36Å; L835-I846 HydrophobicContact CD2-CG1 4.35Å
836	D	94	Very high	93.6	Very high	120 Å²	120	67.8 Å²	67.8	64%	0.642	34%	0.337	S	S	*	.	H	α-helix	trans	-70.6	-32.8	175.4	-77.2	-17.4	0	0	0	112.5	C832 Q833 K839	C832-D836 WeakPolarHBondContact O-CB 3.36Å; C832-D836 PolarHBondContact O-N 2.83Å; Q833-D836 PolarHBondContact O-N 2.98Å; D836-K839 WeakPolarHBondContact O-CE 3.31Å; D836-K839 WeakPolarHBondContact O-CG 3.34Å
837	L	93.5	Very high	93.6	Very high	46 Å²	46	66.1 Å²	66.1	24%	0.241	33%	0.325	C	S	.	.	H	α-helix	trans	-69.1	-52.2	175.6	-171.7	76.1	0	0	0	111.5	Q833 M834 H856 F859 F860	Q833-L837 VanDerWaalsContact O-CB 3.24Å; Q833-L837 WeakPolarHBondContact O-CB 3.39Å; Q833-L837 PolarHBondContact O-N 3.47Å; M834-L837 PolarHBondContact O-N 2.94Å; M834-L837 HydrophobicContact SD-CD2 4.28Å; L837-H856 HydrophobicContact CD1-CB 3.58Å; L837-H856 HydrophobicContact CD2-CB 3.8Å; L837-H856 HydrophobicContact CG-CB 3.76Å; L837-F859 HydrophobicContact CD2-CD1 3.68Å; L837-F859 HydrophobicContact CD2-CE1 4.45Å; L837-F860 HydrophobicContact CD2-CB 4.36Å
838	V	94.1	Very high	93.6	Very high	9 Å²	9	67 Å²	67	6%	0.055	33%	0.331	C	S	.	.	H	α-helix	trans	-79.7	-32.4	-174	176.6	0	0	0	0	112.1	M834 I846 D850 L851 F860	M834-V838 WeakPolarHBondContact O-CB 3.36Å; M834-V838 WeakPolarHBondContact O-CG2 3.15Å; M834-V838 PolarHBondContact O-N 2.61Å; V838-I846 HydrophobicContact CG1-CG1 4.45Å; V838-I846 HydrophobicContact CG1-CG2 3.9Å; V838-I846 HydrophobicContact CG2-CD1 4.47Å; V838-D850 HydrophobicContact CG1-CB 3.87Å; V838-L851 HydrophobicContact CG1-CD2 4.08Å; V838-L851 HydrophobicContact CG2-CD2 3.78Å; V838-F860 HydrophobicContact CG2-CD2 3.72Å; V838-F860 HydrophobicContact CG2-CE2 4.2Å; V838-F860 HydrophobicContact CG2-CG 4.28Å
839	K	93.4	Very high	93.6	Very high	166 Å²	166	72.6 Å²	72.6	72%	0.722	34%	0.343	S	S	*	.			trans	50.2	59.1	-176	-57.2	-178.9	-178.2	171	0	112	L835 D836	L835-K839 WeakPolarHBondContact O-CA 3.33Å; L835-K839 PolarHBondContact O-N 3.22Å; D836-K839 WeakPolarHBondContact O-CE 3.31Å; D836-K839 WeakPolarHBondContact O-CG 3.34Å
840	P	94	Very high	93.6	Very high	17 Å²	17	68.8 Å²	68.8	11%	0.11	32%	0.322	C	S	.	.			trans	-62.6	149.1	-173.8	28.7	-35.6	0	0	0	111.3	L835 E842 K845 I846 D850	L835-P840 HydrophobicContact CD2-CG 3.82Å; L835-P840 WeakPolarHBondContact O-CD 3.45Å; P840-E842 WeakPolarHBondContact CB-O 3.48Å; P840-E842 WeakPolarHBondContact CG-O 3.41Å; P840-E842 PolarHBondContact O-N 3.07Å; P840-K845 WeakPolarHBondContact CB-O 3.25Å; P840-I846 HydrophobicContact CB-CG1 4.2Å; P840-I846 HydrophobicContact CG-CG1 4.29Å; P840-D850 HydrophobicContact CB-CB 4.48Å
841	R	92.8	Very high	93.6	Very high	215 Å²	215	68.8 Å²	68.8	81%	0.811	32%	0.322	S	S	*	.	S	Bend	trans	-59.4	-37.7	177.4	-176.8	-178.2	179.9	-169.3	-0.3	112	D850	R841-D850 PolarHBondContact N-OD1 3.47Å
842	E	90.7	Very high	93.5	Very high	90 Å²	90	71.8 Å²	71.8	42%	0.421	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-108.2	124	174	-67	-176.2	-136.2	0	0	108.4	P840 D844 K845	P840-E842 WeakPolarHBondContact CB-O 3.48Å; P840-E842 WeakPolarHBondContact CG-O 3.41Å; P840-E842 PolarHBondContact O-N 3.07Å; E842-D844 PolarHBondContact O-N 3.3Å; E842-K845 HydrophobicContact CB-CG 4.05Å; E842-K845 VanDerWaalsContact CD-NZ 3.27Å; E842-K845 PolarHBondContact O-N 3.41Å; E842-K845 WeakPolarHBondContact OE1-CE 3.34Å; E842-K845 IonicContact OE1-NZ 3.76Å; E842-K845 PolarHBondContact OE1-NZ 3.49Å; E842-K845 WeakPolarHBondContact OE2-CE 3.42Å; E842-K845 IonicContact OE2-NZ 3.13Å; E842-K845 PolarHBondContact OE2-NZ 3.29Å
843	K	84.7	Confident	93.4	Very high	174 Å²	174	74.5 Å²	74.5	76%	0.757	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.9	-169	-66.2	-171.4	175.9	-170.8	0	114.8
844	D	85.6	Confident	93.2	Very high	83 Å²	83	71.7 Å²	71.7	44%	0.444	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-2.5	-170.2	-59.7	-14.3	0	0	0	113.1	F193 E842	F193-D844 HydrophobicContact CZ-CB 4.32Å; E842-D844 PolarHBondContact O-N 3.3Å
845	K	91.1	Very high	92.9	Very high	59 Å²	59	79.3 Å²	79.3	26%	0.257	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	145	-178	71.3	-167.6	-159.2	-154.5	0	112.2	Y800 P840 E842	Y800-K845 HydrophobicContact CD1-CB 4.48Å; Y800-K845 HydrophobicContact CD1-CD 3.8Å; Y800-K845 HydrophobicContact CD1-CG 3.81Å; Y800-K845 HydrophobicContact CD2-CD 4.32Å; Y800-K845 HydrophobicContact CE1-CD 4.18Å; Y800-K845 HydrophobicContact CE1-CG 4.39Å; Y800-K845 HydrophobicContact CG-CD 3.86Å; Y800-K845 HydrophobicContact CG-CG 4.19Å; Y800-K845 VanDerWaalsContact CZ-CE 3.49Å; P840-K845 WeakPolarHBondContact CB-O 3.25Å; E842-K845 HydrophobicContact CB-CG 4.05Å; E842-K845 VanDerWaalsContact CD-NZ 3.27Å; E842-K845 PolarHBondContact O-N 3.41Å; E842-K845 WeakPolarHBondContact OE1-CE 3.34Å; E842-K845 IonicContact OE1-NZ 3.76Å; E842-K845 PolarHBondContact OE1-NZ 3.49Å; E842-K845 WeakPolarHBondContact OE2-CE 3.42Å; E842-K845 IonicContact OE2-NZ 3.13Å; E842-K845 PolarHBondContact OE2-NZ 3.29Å
846	I	96.6	Very high	92.7	Very high	1 Å²	1	82.3 Å²	82.3	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.9	-177.3	-62.9	171.6	0	0	0	109.3	Y800 L801 L806 L835 V838 P840 D850 L851 F860	Y800-I846 CarbonylContact C-O 3.54Å; Y800-I846 WeakPolarHBondContact CA-O 3.47Å; L801-I846 HydrophobicContact CB-CB 4.3Å; L801-I846 PolarHBondContact N-O 2.82Å; L801-I846 PolarHBondContact O-N 3.49Å; L806-I846 HydrophobicContact CD1-CD1 4.17Å; L835-I846 HydrophobicContact CD2-CD1 4.36Å; L835-I846 HydrophobicContact CD2-CG1 4.35Å; V838-I846 HydrophobicContact CG1-CG1 4.45Å; V838-I846 HydrophobicContact CG1-CG2 3.9Å; V838-I846 HydrophobicContact CG2-CD1 4.47Å; P840-I846 HydrophobicContact CB-CG1 4.2Å; P840-I846 HydrophobicContact CG-CG1 4.29Å; I846-D850 HydrophobicContact CG2-CB 4.37Å; I846-L851 HydrophobicContact CG2-CD1 4.26Å; I846-L851 HydrophobicContact CG2-CD2 3.94Å; I846-L851 HydrophobicContact CG2-CG 3.75Å; I846-F860 HydrophobicContact CD1-CE2 3.58Å; I846-F860 HydrophobicContact CD1-CZ 3.93Å
847	S	96.8	Very high	92.7	Very high	21 Å²	21	76.7 Å²	76.7	15%	0.147	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	160	173.7	72.3	0	0	0	0	112.1	R849 D850 L851	S847-R849 PolarHBondContact O-N 3.29Å; S847-R849 VanDerWaalsContact O-N 3.16Å; S847-R849 PolarHBondContact OG-N 2.75Å; S847-D850 WeakPolarHBondContact CB-OD2 3.08Å; S847-D850 PolarHBondContact N-OD2 3.06Å; S847-D850 WeakPolarHBondContact O-CB 3.11Å; S847-D850 PolarHBondContact O-N 2.9Å; S847-D850 PolarHBondContact OG-N 3.4Å; S847-D850 PolarHBondContact OG-OD2 3.43Å; S847-L851 PolarHBondContact O-N 3.22Å
848	L	95.8	Very high	92.7	Very high	48 Å²	48	75.5 Å²	75.5	25%	0.251	34%	0.342	S	S	.	.	H	α-helix	trans	-53.9	-35.2	170.7	175.8	62.7	0	0	0	112.3	I786 E787 F790 D850 L851 K852	I786-L848 HydrophobicContact CG2-CD1 3.97Å; E787-L848 HydrophobicContact CG-CD1 4.13Å; E787-L848 HydrophobicContact CG-CD2 4.06Å; F790-L848 HydrophobicContact CB-CD1 3.85Å; F790-L848 HydrophobicContact CD1-CB 4.04Å; F790-L848 HydrophobicContact CD1-CD1 4.39Å; F790-L848 HydrophobicContact CD2-CB 4.07Å; F790-L848 HydrophobicContact CD2-CD1 4.34Å; F790-L848 HydrophobicContact CE1-CB 4.07Å; F790-L848 HydrophobicContact CE2-CB 4.05Å; F790-L848 HydrophobicContact CG-CB 4.05Å; F790-L848 HydrophobicContact CG-CD1 3.93Å; F790-L848 HydrophobicContact CZ-CB 4.08Å; L848-D850 VanDerWaalsContact C-N 3.3Å; L848-D850 PolarHBondContact O-N 3.5Å; L848-L851 PolarHBondContact O-N 3.15Å; L848-K852 HydrophobicContact CD1-CG 4.34Å; L848-K852 HydrophobicContact CG-CD 4.38Å; L848-K852 WeakPolarHBondContact O-CG 3.31Å; L848-K852 PolarHBondContact O-N 2.88Å
849	R	95.8	Very high	92.7	Very high	160 Å²	160	76.8 Å²	76.8	60%	0.604	35%	0.346	S	S	*	.	H	α-helix	trans	-67.3	-33	177.7	-173.3	179	-175	-167	1.1	112	S847 K853	S847-R849 PolarHBondContact O-N 3.29Å; S847-R849 VanDerWaalsContact O-N 3.16Å; S847-R849 PolarHBondContact OG-N 2.75Å; R849-K853 WeakPolarHBondContact O-CG 3.3Å; R849-K853 PolarHBondContact O-N 3.31Å
850	D	96.5	Very high	92.9	Very high	18 Å²	18	68.9 Å²	68.9	10%	0.096	31%	0.312	C	S	.	.	H	α-helix	trans	-68.4	-46.4	176.6	-57.9	-48.9	0	0	0	109.6	V838 P840 R841 I846 S847 L848 K852 K853 C854	V838-D850 HydrophobicContact CG1-CB 3.87Å; P840-D850 HydrophobicContact CB-CB 4.48Å; R841-D850 PolarHBondContact N-OD1 3.47Å; I846-D850 HydrophobicContact CG2-CB 4.37Å; S847-D850 WeakPolarHBondContact CB-OD2 3.08Å; S847-D850 PolarHBondContact N-OD2 3.06Å; S847-D850 WeakPolarHBondContact O-CB 3.11Å; S847-D850 PolarHBondContact O-N 2.9Å; S847-D850 PolarHBondContact OG-N 3.4Å; S847-D850 PolarHBondContact OG-OD2 3.43Å; L848-D850 VanDerWaalsContact C-N 3.3Å; L848-D850 PolarHBondContact O-N 3.5Å; D850-K852 PolarHBondContact O-N 3.45Å; D850-K853 PolarHBondContact O-N 2.88Å; D850-K853 VanDerWaalsContact O-N 3.12Å; D850-C854 PolarHBondContact O-N 2.87Å
851	L	95.9	Very high	93	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-39.7	177.1	-67.1	178	0	0	0	113.4	I786 F790 L801 V838 I846 S847 L848 K853 C854 F860 F861	I786-L851 HydrophobicContact CG2-CB 3.84Å; F790-L851 HydrophobicContact CD2-CD1 3.79Å; L801-L851 HydrophobicContact CD1-CD1 4.23Å; V838-L851 HydrophobicContact CG1-CD2 4.08Å; V838-L851 HydrophobicContact CG2-CD2 3.78Å; I846-L851 HydrophobicContact CG2-CD1 4.26Å; I846-L851 HydrophobicContact CG2-CD2 3.94Å; I846-L851 HydrophobicContact CG2-CG 3.75Å; S847-L851 PolarHBondContact O-N 3.22Å; L848-L851 PolarHBondContact O-N 3.15Å; L851-K853 PolarHBondContact O-N 3.48Å; L851-C854 WeakPolarHBondContact O-CB 3.25Å; L851-C854 PolarHBondContact O-N 3.41Å; L851-C854 VanDerWaalsContact O-N 3.1Å; L851-F860 HydrophobicContact CD1-CD1 4.21Å; L851-F860 HydrophobicContact CD1-CE1 3.9Å; L851-F860 HydrophobicContact CD2-CD1 3.64Å; L851-F860 HydrophobicContact CD2-CD2 4.28Å; L851-F860 HydrophobicContact CD2-CE1 3.84Å; L851-F860 HydrophobicContact CD2-CE2 4.44Å; L851-F860 HydrophobicContact CD2-CG 3.88Å; L851-F860 HydrophobicContact CD2-CZ 4.24Å; L851-F861 HydrophobicContact CD1-CE1 4.01Å; L851-F861 HydrophobicContact CD1-CZ 3.68Å
852	K	94	Very high	93.2	Very high	90 Å²	90	58.2 Å²	58.2	39%	0.391	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-20.8	174.9	-76.1	-176.4	175.2	-177.5	0	114.3	I786 E787 L848 D850	I786-K852 HydrophobicContact CG2-CG 4.06Å; E787-K852 WeakPolarHBondContact OE1-CE 3.43Å; E787-K852 IonicContact OE1-NZ 2.85Å; E787-K852 PolarHBondContact OE1-NZ 3.46Å; L848-K852 HydrophobicContact CD1-CG 4.34Å; L848-K852 HydrophobicContact CG-CD 4.38Å; L848-K852 WeakPolarHBondContact O-CG 3.31Å; L848-K852 PolarHBondContact O-N 2.88Å; D850-K852 PolarHBondContact O-N 3.45Å
853	K	92.9	Very high	93.4	Very high	130 Å²	130	54 Å²	54	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-92.3	-21.4	173.8	-73	178.5	175.6	-173.6	0	112.1	R849 D850 L851 M855	R849-K853 WeakPolarHBondContact O-CG 3.3Å; R849-K853 PolarHBondContact O-N 3.31Å; D850-K853 PolarHBondContact O-N 2.88Å; D850-K853 VanDerWaalsContact O-N 3.12Å; L851-K853 PolarHBondContact O-N 3.48Å; K853-M855 PolarHBondContact O-N 2.93Å
854	C	89.5	Confident	94.1	Very high	15 Å²	15	45.8 Å²	45.8	10%	0.101	22%	0.215	C	C	.	.			trans	-70.1	123.3	175	-174.7	0	0	0	0	109	D850 L851 H856	D850-C854 PolarHBondContact O-N 2.87Å; L851-C854 WeakPolarHBondContact O-CB 3.25Å; L851-C854 PolarHBondContact O-N 3.41Å; L851-C854 VanDerWaalsContact O-N 3.1Å; C854-H856 PolarHBondContact O-N 2.93Å; C854-H856 PolarHBondContact SG-N 3.36Å; C854-H856 VanDerWaalsContact SG-N 3.36Å
855	M	88.6	Confident	94.6	Very high	161 Å²	161	41.8 Å²	41.8	79%	0.793	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-6.1	175.1	-61.6	-64.6	153.9	0	0	112.4	K853	K853-M855 PolarHBondContact O-N 2.93Å
856	H	91	Very high	94.8	Very high	106 Å²	106	39 Å²	39	49%	0.491	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	29.2	-176.7	-54.2	-68.9	0	0	0	111.9	L837 C854 P858 F859 F860	L837-H856 HydrophobicContact CD1-CB 3.58Å; L837-H856 HydrophobicContact CD2-CB 3.8Å; L837-H856 HydrophobicContact CG-CB 3.76Å; C854-H856 PolarHBondContact O-N 2.93Å; C854-H856 PolarHBondContact SG-N 3.36Å; C854-H856 VanDerWaalsContact SG-N 3.36Å; H856-P858 VanDerWaalsContact C-N 3.3Å; H856-F859 HydrophobicContact CB-CB 4.49Å; H856-F859 PolarHBondContact O-N 2.68Å; H856-F860 PolarHBondContact O-N 3.07Å; H856-F860 VanDerWaalsContact O-N 3.07Å
857	A	93.9	Very high	94.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-54.6	-38.7	172.9	0	0	0	0	0	113.4	I786 F859 F860 F861	I786-A857 HydrophobicContact CD1-CB 3.86Å; I786-A857 HydrophobicContact CG1-CB 4.07Å; A857-F859 PolarHBondContact O-N 3.29Å; A857-F860 WeakPolarHBondContact O-CB 3.37Å; A857-F860 PolarHBondContact O-N 2.95Å; A857-F861 HydrophobicContact CB-CD2 4.45Å; A857-F861 HydrophobicContact CB-CE2 4.17Å; A857-F861 WeakPolarHBondContact O-CD2 3.41Å; A857-F861 PolarHBondContact O-N 3.06Å
858	P	93.6	Very high	94.4	Very high	22 Å²	22	42.8 Å²	42.8	14%	0.143	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-50.4	175.1	-24.7	33.2	0	0	0	112.7	K780 E781 H856 F860 F861 D862	K780-P858 HydrophobicContact CB-CB 3.94Å; K780-P858 HydrophobicContact CB-CG 4.17Å; E781-P858 HydrophobicContact CB-CG 4.37Å; E781-P858 HydrophobicContact CG-CG 3.4Å; H856-P858 VanDerWaalsContact C-N 3.3Å; P858-F860 VanDerWaalsContact C-N 3.34Å; P858-F860 PolarHBondContact O-N 3.04Å; P858-F861 PolarHBondContact O-N 3.28Å; P858-F861 VanDerWaalsContact O-N 3.17Å; P858-D862 PolarHBondContact O-N 3.26Å
859	F	94.2	Very high	94.3	Very high	36 Å²	36	41.8 Å²	41.8	16%	0.158	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-46.4	178.3	-175.8	-97.4	0	0	0	111.3	M834 L837 H856 A857 F861 D862 T863 L873 E874	M834-F859 HydrophobicContact CE-CD1 3.94Å; M834-F859 HydrophobicContact CE-CE1 3.48Å; M834-F859 VanDerWaalsContact CE-CE1 3.48Å; M834-F859 HydrophobicContact CE-CZ 4.47Å; L837-F859 HydrophobicContact CD2-CD1 3.68Å; L837-F859 HydrophobicContact CD2-CE1 4.45Å; H856-F859 HydrophobicContact CB-CB 4.49Å; H856-F859 PolarHBondContact O-N 2.68Å; A857-F859 PolarHBondContact O-N 3.29Å; F859-F861 VanDerWaalsContact C-N 3.34Å; F859-F861 PolarHBondContact O-N 3.31Å; F859-D862 PolarHBondContact O-N 2.69Å; F859-T863 PolarHBondContact O-N 3.37Å; F859-T863 PolarHBondContact O-OG1 3.22Å; F859-L873 HydrophobicContact CB-CD1 4.48Å; F859-L873 HydrophobicContact CD2-CB 3.97Å; F859-L873 HydrophobicContact CD2-CD1 4.06Å; F859-L873 HydrophobicContact CE2-CB 4.27Å; F859-E874 WeakPolarHBondContact CZ-OE1 3.44Å
860	F	96.6	Very high	94.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-53.4	-50.5	175.2	173.5	-90.3	0	0	0	111.8	M793 L801 L806 M834 L837 V838 I846 L851 H856 A857 P858 F864	M793-F860 HydrophobicContact CE-CE1 4.43Å; M793-F860 HydrophobicContact SD-CE1 4.31Å; L801-F860 HydrophobicContact CD1-CE1 3.92Å; L801-F860 HydrophobicContact CD1-CZ 3.93Å; L806-F860 HydrophobicContact CD2-CE2 4.31Å; L806-F860 HydrophobicContact CD2-CZ 3.78Å; M834-F860 HydrophobicContact CB-CD2 4.1Å; M834-F860 HydrophobicContact CB-CE2 4.19Å; M834-F860 HydrophobicContact CG-CD2 4.17Å; M834-F860 HydrophobicContact CG-CE2 4.45Å; M834-F860 HydrophobicContact SD-CB 4.32Å; M834-F860 HydrophobicContact SD-CD2 3.74Å; M834-F860 HydrophobicContact SD-CG 4.41Å; L837-F860 HydrophobicContact CD2-CB 4.36Å; V838-F860 HydrophobicContact CG2-CD2 3.72Å; V838-F860 HydrophobicContact CG2-CE2 4.2Å; V838-F860 HydrophobicContact CG2-CG 4.28Å; I846-F860 HydrophobicContact CD1-CE2 3.58Å; I846-F860 HydrophobicContact CD1-CZ 3.93Å; L851-F860 HydrophobicContact CD1-CD1 4.21Å; L851-F860 HydrophobicContact CD1-CE1 3.9Å; L851-F860 HydrophobicContact CD2-CD1 3.64Å; L851-F860 HydrophobicContact CD2-CD2 4.28Å; L851-F860 HydrophobicContact CD2-CE1 3.84Å; L851-F860 HydrophobicContact CD2-CE2 4.44Å; L851-F860 HydrophobicContact CD2-CG 3.88Å; L851-F860 HydrophobicContact CD2-CZ 4.24Å; H856-F860 PolarHBondContact O-N 3.07Å; H856-F860 VanDerWaalsContact O-N 3.07Å; A857-F860 WeakPolarHBondContact O-CB 3.37Å; A857-F860 PolarHBondContact O-N 2.95Å; P858-F860 VanDerWaalsContact C-N 3.34Å; P858-F860 PolarHBondContact O-N 3.04Å; F860-F864 HydrophobicContact CD2-CE2 4.04Å; F860-F864 HydrophobicContact CE1-CD2 4.47Å; F860-F864 HydrophobicContact CE1-CE2 4.5Å; F860-F864 HydrophobicContact CE2-CD2 4.46Å; F860-F864 AromaticContact CE2-CE2 3.73Å; F860-F864 HydrophobicContact CE2-CE2 3.73Å; F860-F864 HydrophobicContact CZ-CD2 4.36Å; F860-F864 AromaticContact CZ-CE2 3.99Å; F860-F864 HydrophobicContact CZ-CE2 3.99Å; F860-F864 WeakPolarHBondContact O-CD2 3.33Å
861	F	97.4	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.4	-45.3	-179	-70.7	-56.1	0	0	0	112.5	K780 I786 W789 M793 L851 A857 P858 F859 T863 F864 L865	K780-F861 HydrophobicContact CD-CB 3.74Å; K780-F861 HydrophobicContact CD-CD2 4.47Å; K780-F861 HydrophobicContact CD-CG 4.49Å; I786-F861 HydrophobicContact CB-CE2 4.19Å; I786-F861 HydrophobicContact CG1-CE2 4.2Å; I786-F861 HydrophobicContact CG2-CE2 4Å; I786-F861 HydrophobicContact CG2-CZ 4.06Å; W789-F861 HydrophobicContact CB-CD1 3.56Å; W789-F861 HydrophobicContact CB-CD2 4.22Å; W789-F861 HydrophobicContact CB-CE1 3.45Å; W789-F861 VanDerWaalsContact CB-CE1 3.45Å; W789-F861 HydrophobicContact CB-CE2 4.14Å; W789-F861 HydrophobicContact CB-CG 3.96Å; W789-F861 HydrophobicContact CB-CZ 3.75Å; W789-F861 HydrophobicContact CG-CD1 4.4Å; W789-F861 HydrophobicContact CG-CG 4.39Å; M793-F861 HydrophobicContact SD-CD1 3.76Å; M793-F861 HydrophobicContact SD-CE1 3.97Å; L851-F861 HydrophobicContact CD1-CE1 4.01Å; L851-F861 HydrophobicContact CD1-CZ 3.68Å; A857-F861 HydrophobicContact CB-CD2 4.45Å; A857-F861 HydrophobicContact CB-CE2 4.17Å; A857-F861 WeakPolarHBondContact O-CD2 3.41Å; A857-F861 PolarHBondContact O-N 3.06Å; P858-F861 PolarHBondContact O-N 3.28Å; P858-F861 VanDerWaalsContact O-N 3.17Å; F859-F861 VanDerWaalsContact C-N 3.34Å; F859-F861 PolarHBondContact O-N 3.31Å; F861-T863 VanDerWaalsContact C-N 3.27Å; F861-T863 PolarHBondContact O-N 3.44Å; F861-F864 PolarHBondContact O-N 3.45Å; F861-L865 HydrophobicContact CB-CD1 4.17Å; F861-L865 HydrophobicContact CD1-CD1 4.2Å; F861-L865 VanDerWaalsContact O-CB 3.3Å; F861-L865 WeakPolarHBondContact O-CB 3.44Å; F861-L865 WeakPolarHBondContact O-CG 3.16Å; F861-L865 PolarHBondContact O-N 3.23Å
862	D	96.1	Very high	93.4	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.043	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-33	-176.3	-70.6	-39.2	0	0	0	111.8	K780 P858 F859 F864 L865 N866 K869 L873	K780-D862 WeakPolarHBondContact CD-OD1 3.17Å; K780-D862 WeakPolarHBondContact CE-OD1 3.44Å; K780-D862 IonicContact NZ-OD1 2.8Å; K780-D862 PolarHBondContact NZ-OD1 2.7Å; P858-D862 PolarHBondContact O-N 3.26Å; F859-D862 PolarHBondContact O-N 2.69Å; D862-F864 PolarHBondContact O-N 2.81Å; D862-L865 PolarHBondContact O-N 3.43Å; D862-N866 CarbonylContact O-C 3.57Å; D862-N866 PolarHBondContact O-N 3.49Å; D862-N866 VanDerWaalsContact O-N 3.17Å; D862-N866 VanDerWaalsContact O-O 3.06Å; D862-N866 WeakPolarHBondContact OD1-CB 3.3Å; D862-K869 HydrophobicContact CB-CB 4Å; D862-K869 VanDerWaalsContact CG-CB 3.47Å; D862-L873 HydrophobicContact CB-CD1 4.09Å
863	T	95.8	Very high	93	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-52.7	-37.7	170.4	-60	0	0	0	0	113.2	Y810 I830 M834 F859 F861 Y870	Y810-T863 HydrophobicContact CD2-CG2 4.38Å; Y810-T863 HydrophobicContact CE2-CG2 4.29Å; I830-T863 HydrophobicContact CD1-CG2 4.39Å; I830-T863 HydrophobicContact CG2-CG2 3.86Å; M834-T863 HydrophobicContact CE-CG2 4.02Å; M834-T863 HydrophobicContact SD-CG2 4.48Å; F859-T863 PolarHBondContact O-N 3.37Å; F859-T863 PolarHBondContact O-OG1 3.22Å; F861-T863 VanDerWaalsContact C-N 3.27Å; F861-T863 PolarHBondContact O-N 3.44Å; T863-Y870 HydrophobicContact CG2-CD2 4.44Å; T863-Y870 HydrophobicContact CG2-CE2 4.18Å
864	F	97.6	Very high	92.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-98.4	-21.3	-177.2	-63.1	-73.2	0	0	0	114.1	M793 L806 F809 Y810 Q813 I830 M834 F860 F861 D862	M793-F864 HydrophobicContact CE-CB 3.87Å; M793-F864 HydrophobicContact CE-CD2 3.92Å; M793-F864 HydrophobicContact CE-CG 3.91Å; L806-F864 HydrophobicContact CB-CE1 3.89Å; L806-F864 HydrophobicContact CB-CZ 4.05Å; L806-F864 HydrophobicContact CD1-CZ 4.48Å; L806-F864 HydrophobicContact CD2-CD2 4.44Å; L806-F864 HydrophobicContact CD2-CE1 4.31Å; L806-F864 HydrophobicContact CD2-CE2 4.01Å; L806-F864 HydrophobicContact CD2-CZ 3.93Å; L806-F864 HydrophobicContact CG-CZ 4.36Å; L806-F864 WeakPolarHBondContact O-CE1 3.5Å; F809-F864 HydrophobicContact CB-CB 3.94Å; F809-F864 HydrophobicContact CB-CD1 4.34Å; Y810-F864 HydrophobicContact CD2-CD1 4.31Å; Y810-F864 HydrophobicContact CD2-CE1 4.34Å; Y810-F864 HydrophobicContact CG-CE1 4.41Å; Q813-F864 VanDerWaalsContact CG-C 3.49Å; Q813-F864 WeakPolarHBondContact CG-O 3.41Å; I830-F864 HydrophobicContact CG2-CE1 4.26Å; I830-F864 HydrophobicContact CG2-CZ 4.09Å; M834-F864 HydrophobicContact CG-CE2 3.85Å; M834-F864 HydrophobicContact CG-CZ 3.84Å; M834-F864 HydrophobicContact SD-CE2 4.2Å; F860-F864 HydrophobicContact CD2-CE2 4.04Å; F860-F864 HydrophobicContact CE1-CD2 4.47Å; F860-F864 HydrophobicContact CE1-CE2 4.5Å; F860-F864 HydrophobicContact CE2-CD2 4.46Å; F860-F864 AromaticContact CE2-CE2 3.73Å; F860-F864 HydrophobicContact CE2-CE2 3.73Å; F860-F864 HydrophobicContact CZ-CD2 4.36Å; F860-F864 AromaticContact CZ-CE2 3.99Å; F860-F864 HydrophobicContact CZ-CE2 3.99Å; F860-F864 WeakPolarHBondContact O-CD2 3.33Å; F861-F864 PolarHBondContact O-N 3.45Å; D862-F864 PolarHBondContact O-N 2.81Å
865	L	96.2	Very high	92.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-120.6	-41.5	-162.9	-53.8	-173.9	0	0	0	114.3	S742 I745 W789 M793 F809 F861 D862	S742-L865 PolarHBondContact N-O 2.98Å; I745-L865 HydrophobicContact CB-CD2 4.06Å; I745-L865 HydrophobicContact CD1-CD1 4.22Å; I745-L865 HydrophobicContact CD1-CD2 3.5Å; I745-L865 VanDerWaalsContact CD1-CD2 3.5Å; I745-L865 HydrophobicContact CD1-CG 4.45Å; I745-L865 HydrophobicContact CG1-CD1 4.28Å; I745-L865 HydrophobicContact CG1-CD2 3.71Å; I745-L865 HydrophobicContact CG1-CG 4.4Å; W789-L865 HydrophobicContact CB-CD1 4.23Å; W789-L865 HydrophobicContact CD2-CD1 3.86Å; W789-L865 HydrophobicContact CE3-CD1 3.48Å; W789-L865 VanDerWaalsContact CE3-CD1 3.48Å; W789-L865 HydrophobicContact CG-CD1 4.19Å; W789-L865 HydrophobicContact CZ3-CD1 4.14Å; M793-L865 HydrophobicContact CG-CD2 4.11Å; M793-L865 HydrophobicContact SD-CD1 4.3Å; M793-L865 HydrophobicContact SD-CD2 4.21Å; M793-L865 HydrophobicContact SD-CG 4.45Å; F809-L865 HydrophobicContact CD1-CD2 4.19Å; F809-L865 HydrophobicContact CG-CD2 4.35Å; F861-L865 HydrophobicContact CB-CD1 4.17Å; F861-L865 HydrophobicContact CD1-CD1 4.2Å; F861-L865 VanDerWaalsContact O-CB 3.3Å; F861-L865 WeakPolarHBondContact O-CB 3.44Å; F861-L865 WeakPolarHBondContact O-CG 3.16Å; F861-L865 PolarHBondContact O-N 3.23Å; D862-L865 PolarHBondContact O-N 3.43Å
866	N	95.6	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-127.5	106	-169.7	-174	-36.7	0	0	0	110.8	L741 E777 D862 E868 K869 Y870	L741-N866 HydrophobicContact CD2-CB 4.14Å; E777-N866 PolarHBondContact OE1-ND2 3.32Å; D862-N866 CarbonylContact O-C 3.57Å; D862-N866 PolarHBondContact O-N 3.49Å; D862-N866 VanDerWaalsContact O-N 3.17Å; D862-N866 VanDerWaalsContact O-O 3.06Å; D862-N866 WeakPolarHBondContact OD1-CB 3.3Å; N866-E868 PolarHBondContact O-N 3.25Å; N866-E868 PolarHBondContact OD1-N 2.98Å; N866-K869 HydrophobicContact CB-CB 4.22Å; N866-K869 PolarHBondContact OD1-N 3.21Å; N866-Y870 VanDerWaalsContact O-CB 3.31Å; N866-Y870 WeakPolarHBondContact O-CB 3.38Å; N866-Y870 PolarHBondContact O-N 3.46Å
867	R	93.2	Very high	89.5	Confident	35 Å²	35	37.2 Å²	37.2	13%	0.132	18%	0.181	C	C	.	.	H	α-helix	trans	-62	-43.5	-178.1	-179.5	-179.7	64.4	-170.7	-0.7	112.5	A740 R816 L817 M820 Y870 L871	A740-R867 PolarHBondContact O-N 3.37Å; A740-R867 VanDerWaalsContact O-N 3.11Å; R816-R867 WeakPolarHBondContact O-CD 3.33Å; R816-R867 PolarHBondContact O-NH1 3.05Å; L817-R867 HydrophobicContact CD2-CG 3.95Å; M820-R867 VanDerWaalsContact SD-CD 3.51Å; M820-R867 HydrophobicContact SD-CG 4.46Å; M820-R867 PolarHBondContact SD-NE 3.35Å; M820-R867 PolarHBondContact SD-NH1 3.31Å; R867-Y870 PolarHBondContact O-N 3.01Å; R867-L871 HydrophobicContact CG-CD1 4.18Å; R867-L871 WeakPolarHBondContact O-CG 3.22Å; R867-L871 PolarHBondContact O-N 2.96Å
868	E	92.3	Very high	87.7	Confident	66 Å²	66	42.5 Å²	42.5	31%	0.308	22%	0.215	S	C	.	.	H	α-helix	trans	-66	-47.3	-175.8	-178.2	58.5	-152.7	0	0	111.2	A740 N866 L871 Q872	A740-E868 HydrophobicContact CB-CB 4.03Å; N866-E868 PolarHBondContact O-N 3.25Å; N866-E868 PolarHBondContact OD1-N 2.98Å; E868-L871 PolarHBondContact O-N 3.22Å; E868-Q872 VanDerWaalsContact O-CG 3.31Å; E868-Q872 WeakPolarHBondContact O-CG 3.4Å; E868-Q872 PolarHBondContact O-N 3.07Å; E868-Q872 PolarHBondContact OE1-NE2 3.42Å
869	K	92.7	Very high	85.8	Confident	27 Å²	27	46.6 Å²	46.6	12%	0.117	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-36.6	177.6	-73.2	-178.6	175.1	155.9	0	112.4	E777 E778 D862 N866 Q872 L873	E777-K869 PolarHBondContact O-NZ 3.36Å; E777-K869 IonicContact OE1-NZ 2.71Å; E777-K869 PolarHBondContact OE1-NZ 2.84Å; E778-K869 IonicContact OE1-NZ 3.1Å; E778-K869 PolarHBondContact OE1-NZ 3.3Å; E778-K869 WeakPolarHBondContact OE2-CE 3.38Å; E778-K869 IonicContact OE2-NZ 3.7Å; E778-K869 PolarHBondContact OE2-NZ 3.04Å; D862-K869 HydrophobicContact CB-CB 4Å; D862-K869 VanDerWaalsContact CG-CB 3.47Å; N866-K869 HydrophobicContact CB-CB 4.22Å; N866-K869 PolarHBondContact OD1-N 3.21Å; K869-Q872 PolarHBondContact O-N 3.41Å; K869-L873 WeakPolarHBondContact O-CB 3.22Å; K869-L873 WeakPolarHBondContact O-CD1 3.42Å; K869-L873 VanDerWaalsContact O-CG 3.26Å; K869-L873 WeakPolarHBondContact O-CG 3.41Å; K869-L873 PolarHBondContact O-N 3Å
870	Y	92.2	Very high	84	Confident	15 Å²	15	49.6 Å²	49.6	6%	0.059	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-48.2	173	173	-104.1	0	0	0	111.8	L817 T863 N866 R867 Q872 L873 E874	L817-Y870 HydrophobicContact CD1-CD1 4.41Å; L817-Y870 HydrophobicContact CD1-CE1 4.05Å; T863-Y870 HydrophobicContact CG2-CD2 4.44Å; T863-Y870 HydrophobicContact CG2-CE2 4.18Å; N866-Y870 VanDerWaalsContact O-CB 3.31Å; N866-Y870 WeakPolarHBondContact O-CB 3.38Å; N866-Y870 PolarHBondContact O-N 3.46Å; R867-Y870 PolarHBondContact O-N 3.01Å; Y870-Q872 PolarHBondContact O-N 3.35Å; Y870-L873 PolarHBondContact O-N 3.28Å; Y870-E874 HydrophobicContact CD2-CG 4.39Å; Y870-E874 HydrophobicContact CE1-CG 4.11Å; Y870-E874 HydrophobicContact CE2-CG 3.9Å; Y870-E874 PolarHBondContact O-N 2.96Å
871	L	90.4	Very high	82.2	Confident	21 Å²	21	53.3 Å²	53.3	11%	0.11	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-43.2	177.7	-69.6	173.3	0	0	0	111.7	L817 M820 F822 R867 E868 L873 E874 E875	L817-L871 HydrophobicContact CD2-CD1 4.49Å; L817-L871 HydrophobicContact CD2-CD2 3.93Å; L817-L871 HydrophobicContact CD2-CG 4.31Å; M820-L871 HydrophobicContact CE-CD1 4.47Å; F822-L871 HydrophobicContact CE1-CD2 4.4Å; F822-L871 HydrophobicContact CE2-CD1 4.17Å; F822-L871 HydrophobicContact CE2-CD2 4.36Å; F822-L871 HydrophobicContact CZ-CD1 4.47Å; F822-L871 HydrophobicContact CZ-CD2 4.25Å; R867-L871 HydrophobicContact CG-CD1 4.18Å; R867-L871 WeakPolarHBondContact O-CG 3.22Å; R867-L871 PolarHBondContact O-N 2.96Å; E868-L871 PolarHBondContact O-N 3.22Å; L871-L873 VanDerWaalsContact C-N 3.28Å; L871-L873 PolarHBondContact O-N 3.35Å; L871-E874 PolarHBondContact O-N 3.49Å; L871-E875 WeakPolarHBondContact O-CB 3.37Å; L871-E875 WeakPolarHBondContact O-CG 3.5Å; L871-E875 PolarHBondContact O-N 3.26Å
872	Q	88.3	Confident	80.2	Confident	88 Å²	88	56.2 Å²	56.2	41%	0.411	30%	0.295	S	S	.	.	H	α-helix	trans	-60.8	-37	176.6	-71.5	174.5	16.1	0	0	112.8	E868 K869 Y870 S876	E868-Q872 VanDerWaalsContact O-CG 3.31Å; E868-Q872 WeakPolarHBondContact O-CG 3.4Å; E868-Q872 PolarHBondContact O-N 3.07Å; E868-Q872 PolarHBondContact OE1-NE2 3.42Å; K869-Q872 PolarHBondContact O-N 3.41Å; Y870-Q872 PolarHBondContact O-N 3.35Å; Q872-S876 WeakPolarHBondContact O-CB 3.48Å; Q872-S876 PolarHBondContact O-N 3.47Å
873	L	84.2	Confident	78.4	Confident	61 Å²	61	62.8 Å²	62.8	32%	0.319	33%	0.326	S	S	.	.	H	α-helix	trans	-72.2	-40.5	177.6	-74.3	165.3	0	0	0	111.9	F859 D862 K869 Y870 L871 E875 S876	F859-L873 HydrophobicContact CB-CD1 4.48Å; F859-L873 HydrophobicContact CD2-CB 3.97Å; F859-L873 HydrophobicContact CD2-CD1 4.06Å; F859-L873 HydrophobicContact CE2-CB 4.27Å; D862-L873 HydrophobicContact CB-CD1 4.09Å; K869-L873 WeakPolarHBondContact O-CB 3.22Å; K869-L873 WeakPolarHBondContact O-CD1 3.42Å; K869-L873 VanDerWaalsContact O-CG 3.26Å; K869-L873 WeakPolarHBondContact O-CG 3.41Å; K869-L873 PolarHBondContact O-N 3Å; Y870-L873 PolarHBondContact O-N 3.28Å; L871-L873 VanDerWaalsContact C-N 3.28Å; L871-L873 PolarHBondContact O-N 3.35Å; L873-E875 VanDerWaalsContact C-N 3.35Å; L873-S876 PolarHBondContact O-N 3.25Å; L873-S876 PolarHBondContact O-OG 3.13Å
874	E	84.1	Confident	76.7	Confident	101 Å²	101	67.5 Å²	67.5	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-65.8	-36	174.6	-76.2	-70.3	142.3	0	0	112.3	F859 Y870 L871 S876	F859-E874 WeakPolarHBondContact CZ-OE1 3.44Å; Y870-E874 HydrophobicContact CD2-CG 4.39Å; Y870-E874 HydrophobicContact CE1-CG 4.11Å; Y870-E874 HydrophobicContact CE2-CG 3.9Å; Y870-E874 PolarHBondContact O-N 2.96Å; L871-E874 PolarHBondContact O-N 3.49Å; E874-S876 VanDerWaalsContact C-N 3.32Å
875	E	80.1	Confident	74.8	Confident	126 Å²	126	75 Å²	75	59%	0.589	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-12	175.1	-70.6	-179.8	-175.5	0	0	113.7	L871 L873 E877	L871-E875 WeakPolarHBondContact O-CB 3.37Å; L871-E875 WeakPolarHBondContact O-CG 3.5Å; L871-E875 PolarHBondContact O-N 3.26Å; L873-E875 VanDerWaalsContact C-N 3.35Å; E875-E877 PolarHBondContact O-N 3.31Å
876	S	70.7	Confident	72.8	Confident	46 Å²	46	83.1 Å²	83.1	32%	0.322	42%	0.422	S	S	.	.			trans	-68.9	103.7	-174.9	67.8	0	0	0	0	111	Q872 L873 E874	Q872-S876 WeakPolarHBondContact O-CB 3.48Å; Q872-S876 PolarHBondContact O-N 3.47Å; L873-S876 PolarHBondContact O-N 3.25Å; L873-S876 PolarHBondContact O-OG 3.13Å; E874-S876 VanDerWaalsContact C-N 3.32Å
877	E	55.3	Low	71.2	Confident	126 Å²	126	85.5 Å²	85.5	59%	0.589	44%	0.439	S	S	*	.			trans	-59.6	149.2	168.8	-69	-168.7	169.8	0	0	110	E875 N879 K880	E875-E877 PolarHBondContact O-N 3.31Å; E877-N879 PolarHBondContact O-N 3.25Å; E877-K880 PolarHBondContact O-N 3.39Å
878	P	55.5	Low	70.3	Confident	113 Å²	113	92.7 Å²	92.7	73%	0.734	47%	0.474	S	S	*	.	H	α-helix	trans	-49.8	-24.4	176	-26.6	33.6	0	0	0	114.1
879	N	53.5	Low	69.6	Low	108 Å²	108	91 Å²	91	58%	0.578	47%	0.467	S	S	*	.	H	α-helix	trans	-71.8	-31.5	179.5	-66.2	-21.4	0	0	0	113.9	E877 V881 A882 E883	E877-N879 PolarHBondContact O-N 3.25Å; N879-V881 PolarHBondContact O-N 3.15Å; N879-A882 WeakPolarHBondContact O-CB 3.42Å; N879-A882 PolarHBondContact O-N 2.88Å; N879-E883 PolarHBondContact O-N 3.36Å
880	K	56.3	Low	69	Low	98 Å²	98	95.9 Å²	95.9	43%	0.426	50%	0.499	S	S	.	.	H	α-helix	trans	-62.6	-35.3	177.1	-74.3	-173.5	-177.8	168.1	0	111.4	E877 A882 E883 E884	E877-K880 PolarHBondContact O-N 3.39Å; K880-A882 PolarHBondContact O-N 3.4Å; K880-E883 PolarHBondContact O-N 3.01Å; K880-E884 WeakPolarHBondContact O-CG 3.42Å; K880-E884 PolarHBondContact O-N 2.92Å
881	V	59.1	Low	68.9	Low	78 Å²	78	96.4 Å²	96.4	47%	0.473	51%	0.505	S	S	.	.	H	α-helix	trans	-61.9	-34.3	175.6	-176.5	0	0	0	0	111.3	N879 M885	N879-V881 PolarHBondContact O-N 3.15Å; V881-M885 HydrophobicContact CG1-SD 4.43Å; V881-M885 WeakPolarHBondContact O-CB 3.26Å; V881-M885 WeakPolarHBondContact O-CG 3.35Å; V881-M885 PolarHBondContact O-N 3.46Å
882	A	55	Low	69	Low	61 Å²	61	96.3 Å²	96.3	50%	0.504	51%	0.507	S	S	.	.	H	α-helix	trans	-70.5	-41.8	178.4	0	0	0	0	0	112.3	N879 K880 E884 M885 E886	N879-A882 WeakPolarHBondContact O-CB 3.42Å; N879-A882 PolarHBondContact O-N 2.88Å; K880-A882 PolarHBondContact O-N 3.4Å; A882-E884 VanDerWaalsContact C-N 3.33Å; A882-M885 PolarHBondContact O-N 2.88Å; A882-E886 PolarHBondContact O-N 2.94Å
883	E	59.3	Low	69.3	Low	147 Å²	147	92.6 Å²	92.6	69%	0.687	49%	0.49	S	S	*	.	H	α-helix	trans	-64.9	-38.3	175.3	-68	-178.4	177.9	0	0	111.7	N879 K880 M885 E886	N879-E883 PolarHBondContact O-N 3.36Å; K880-E883 PolarHBondContact O-N 3.01Å; E883-M885 VanDerWaalsContact C-N 3.34Å; E883-E886 PolarHBondContact O-N 3.38Å
884	E	59.9	Low	69.9	Low	101 Å²	101	90.6 Å²	90.6	47%	0.472	48%	0.479	S	S	.	.	H	α-helix	trans	-66.6	-35.1	175.3	-70.8	-175.1	176	0	0	112.6	K880 A882 E886 S887 R895	K880-E884 WeakPolarHBondContact O-CG 3.42Å; K880-E884 PolarHBondContact O-N 2.92Å; A882-E884 VanDerWaalsContact C-N 3.33Å; E884-E886 VanDerWaalsContact C-N 3.28Å; E884-E886 PolarHBondContact O-N 3.03Å; E884-S887 WeakPolarHBondContact O-CB 3.4Å; E884-S887 PolarHBondContact O-N 3.12Å; E884-R895 VanDerWaalsContact CG-NH1 3.34Å; E884-R895 IonicContact OE1-NH1 2.71Å; E884-R895 PolarHBondContact OE1-NH1 3.47Å; E884-R895 IonicContact OE2-CZ 3.27Å; E884-R895 IonicContact OE2-NH1 2.66Å; E884-R895 PolarHBondContact OE2-NH1 3.09Å; E884-R895 IonicContact OE2-NH2 2.73Å
885	M	56.9	Low	70.3	Confident	157 Å²	157	88.5 Å²	88.5	77%	0.773	47%	0.467	S	S	*	.	H	α-helix	trans	-68.5	-22.8	174.5	-82	176.4	61	0	0	113.6	V881 A882 E883 S887	V881-M885 HydrophobicContact CG1-SD 4.43Å; V881-M885 WeakPolarHBondContact O-CB 3.26Å; V881-M885 WeakPolarHBondContact O-CG 3.35Å; V881-M885 PolarHBondContact O-N 3.46Å; A882-M885 PolarHBondContact O-N 2.88Å; E883-M885 VanDerWaalsContact C-N 3.34Å; M885-S887 VanDerWaalsContact C-N 3.28Å
886	E	54.2	Low	71	Confident	170 Å²	170	83.4 Å²	83.4	79%	0.794	44%	0.443	S	S	*	.	H	α-helix	trans	-78.6	-14.6	177.1	-164.8	170.9	-174	0	0	112.4	A882 E883 E884 E888	A882-E886 PolarHBondContact O-N 2.94Å; E883-E886 PolarHBondContact O-N 3.38Å; E884-E886 VanDerWaalsContact C-N 3.28Å; E884-E886 PolarHBondContact O-N 3.03Å; E886-E888 PolarHBondContact O-N 3.33Å
887	S	62.9	Low	72.2	Confident	50 Å²	50	81.2 Å²	81.2	35%	0.35	43%	0.428	S	S	.	.			trans	-66.7	131.2	179.2	-162.2	0	0	0	0	112.1	E884 M885 L889	E884-S887 WeakPolarHBondContact O-CB 3.4Å; E884-S887 PolarHBondContact O-N 3.12Å; M885-S887 VanDerWaalsContact C-N 3.28Å; S887-L889 PolarHBondContact O-N 2.99Å; S887-L889 VanDerWaalsContact O-N 3.07Å; S887-L889 WeakPolarHBondContact OG-CB 3.49Å; S887-L889 PolarHBondContact OG-N 3.43Å
888	E	73.1	Confident	74.1	Confident	187 Å²	187	76.8 Å²	76.8	87%	0.874	41%	0.412	S	S	*	.	S	Bend	trans	-60.9	-12.8	167.3	-69.4	-175.7	175.4	0	0	112.8	E886	E886-E888 PolarHBondContact O-N 3.33Å
889	L	77.8	Confident	75.9	Confident	30 Å²	30	77.7 Å²	77.7	16%	0.157	40%	0.401	C	S	.	.			trans	-86.2	114.9	-179.7	-57.5	177	0	0	0	110.2	R702 S887 D894 R895 A898	R702-L889 VanDerWaalsContact CZ-CD2 3.41Å; S887-L889 PolarHBondContact O-N 2.99Å; S887-L889 VanDerWaalsContact O-N 3.07Å; S887-L889 WeakPolarHBondContact OG-CB 3.49Å; S887-L889 PolarHBondContact OG-N 3.43Å; L889-D894 HydrophobicContact CB-CB 4.07Å; L889-D894 HydrophobicContact CD2-CB 4.25Å; L889-R895 HydrophobicContact CB-CG 3.67Å; L889-R895 HydrophobicContact CD1-CG 4.13Å; L889-A898 HydrophobicContact CD1-CB 3.75Å
890	T	80.3	Confident	77.8	Confident	129 Å²	129	73.8 Å²	73.8	79%	0.791	38%	0.379	S	S	*	.			trans	-79.7	-31.8	-170.2	49	0	0	0	0	114.4
891	S	90.3	Very high	79.6	Confident	27 Å²	27	70.7 Å²	70.7	19%	0.189	37%	0.365	C	S	.	.	S	Bend	trans	-104.6	153.4	-176.6	71.8	0	0	0	0	112.4	W893 D894 R895	S891-W893 PolarHBondContact O-N 3.47Å; S891-D894 PolarHBondContact O-N 3.39Å; S891-D894 WeakPolarHBondContact OG-CB 3.33Å; S891-D894 PolarHBondContact OG-N 3.1Å; S891-D894 PolarHBondContact OG-OD2 3.49Å; S891-R895 PolarHBondContact O-N 3.25Å
892	A	92	Very high	81.2	Confident	18 Å²	18	72.6 Å²	72.6	15%	0.149	37%	0.369	C	S	.	.	H	α-helix	trans	-59.1	-38.4	171.9	0	0	0	0	0	111.5	D779 R895 F896	D779-A892 HydrophobicContact CB-CB 4.22Å; A892-R895 PolarHBondContact O-N 3.5Å; A892-F896 WeakPolarHBondContact O-CB 3.29Å; A892-F896 PolarHBondContact O-N 3.45Å
893	W	96.1	Very high	83	Confident	11 Å²	11	74.1 Å²	74.1	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-59.4	-47.6	174.4	171.6	-98.4	0	0	0	112.4	H709 I713 I774 L775 E778 D779 S891 R895 F896 A897	H709-W893 HydrophobicContact CB-CZ2 4.21Å; H709-W893 AromaticContact CE1-CD1 3.7Å; H709-W893 AromaticContact CE1-NE1 3.35Å; H709-W893 PolarHBondContact CE1-NE1 2.9Å; H709-W893 AromaticContact CG-NE1 3.51Å; H709-W893 AromaticContact ND1-CD1 3.73Å; H709-W893 AromaticContact ND1-NE1 2.97Å; H709-W893 PolarHBondContact ND1-NE1 2.75Å; I713-W893 HydrophobicContact CD1-CH2 3.96Å; I713-W893 HydrophobicContact CD1-CZ2 3.84Å; I713-W893 HydrophobicContact CG1-CH2 3.56Å; I713-W893 HydrophobicContact CG1-CZ2 3.87Å; I774-W893 HydrophobicContact CG1-CZ3 4.22Å; I774-W893 HydrophobicContact CG2-CH2 4.44Å; I774-W893 HydrophobicContact CG2-CZ3 4.46Å; L775-W893 HydrophobicContact CD2-CD2 3.68Å; L775-W893 HydrophobicContact CD2-CE3 3.89Å; L775-W893 HydrophobicContact CD2-CG 4.26Å; L775-W893 HydrophobicContact CD2-CH2 4.14Å; L775-W893 HydrophobicContact CD2-CZ2 3.94Å; L775-W893 HydrophobicContact CD2-CZ3 4.12Å; E778-W893 HydrophobicContact CB-CE3 3.91Å; E778-W893 HydrophobicContact CB-CZ3 4.14Å; E778-W893 HydrophobicContact CG-CZ3 4.39Å; D779-W893 HydrophobicContact CB-CB 3.86Å; S891-W893 PolarHBondContact O-N 3.47Å; W893-R895 VanDerWaalsContact C-N 3.3Å; W893-R895 PolarHBondContact O-N 2.83Å; W893-F896 HydrophobicContact CE3-CD1 4.17Å; W893-F896 HydrophobicContact CH2-CD1 4.49Å; W893-F896 AromaticContact CZ3-CD1 3.89Å; W893-F896 HydrophobicContact CZ3-CD1 3.89Å; W893-F896 HydrophobicContact CZ3-CE1 4.1Å; W893-F896 PolarHBondContact O-N 2.82Å; W893-A897 HydrophobicContact CZ2-CB 4.21Å; W893-A897 WeakPolarHBondContact O-CB 3.31Å; W893-A897 PolarHBondContact O-N 3.23Å
894	D	95.2	Very high	84.5	Confident	18 Å²	18	68.2 Å²	68.2	10%	0.096	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-40.7	-178.5	-65.9	-39.1	0	0	0	111.3	H709 L889 S891 A898	H709-D894 IonicContact CE1-OD1 2.86Å; H709-D894 PolarHBondContact CE1-OD1 3.15Å; H709-D894 IonicContact NE2-OD1 2.84Å; L889-D894 HydrophobicContact CB-CB 4.07Å; L889-D894 HydrophobicContact CD2-CB 4.25Å; S891-D894 PolarHBondContact O-N 3.39Å; S891-D894 WeakPolarHBondContact OG-CB 3.33Å; S891-D894 PolarHBondContact OG-N 3.1Å; S891-D894 PolarHBondContact OG-OD2 3.49Å; D894-A898 VanDerWaalsContact O-CB 3.32Å; D894-A898 WeakPolarHBondContact O-CB 3.38Å; D894-A898 PolarHBondContact O-N 3.15Å
895	R	93.2	Very high	85.8	Confident	58 Å²	58	66 Å²	66	22%	0.219	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-45.3	175.7	-70.2	-176.3	-74.1	140	-12.1	111.6	E884 L889 S891 A892 W893 R899	E884-R895 VanDerWaalsContact CG-NH1 3.34Å; E884-R895 IonicContact OE1-NH1 2.71Å; E884-R895 PolarHBondContact OE1-NH1 3.47Å; E884-R895 IonicContact OE2-CZ 3.27Å; E884-R895 IonicContact OE2-NH1 2.66Å; E884-R895 PolarHBondContact OE2-NH1 3.09Å; E884-R895 IonicContact OE2-NH2 2.73Å; L889-R895 HydrophobicContact CB-CG 3.67Å; L889-R895 HydrophobicContact CD1-CG 4.13Å; S891-R895 PolarHBondContact O-N 3.25Å; A892-R895 PolarHBondContact O-N 3.5Å; W893-R895 VanDerWaalsContact C-N 3.3Å; W893-R895 PolarHBondContact O-N 2.83Å; R895-R899 WeakPolarHBondContact O-CB 3.41Å; R895-R899 PolarHBondContact O-N 3.24Å; R895-R899 VanDerWaalsContact O-N 3.13Å
896	F	94.8	Very high	87.3	Confident	19 Å²	19	61.4 Å²	61.4	8%	0.083	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-51.5	175.7	171.8	-93.2	0	0	0	111.5	V712 E778 A892 W893 A898 R899 E900	V712-F896 HydrophobicContact CG1-CD1 4.44Å; V712-F896 HydrophobicContact CG1-CE1 3.83Å; E778-F896 HydrophobicContact CB-CB 4.43Å; E778-F896 HydrophobicContact CB-CD1 4.01Å; E778-F896 HydrophobicContact CB-CD2 4.37Å; E778-F896 HydrophobicContact CB-CE1 4.38Å; E778-F896 HydrophobicContact CB-CG 4.01Å; E778-F896 VanDerWaalsContact CD-CE2 3.44Å; E778-F896 HydrophobicContact CG-CD1 3.82Å; E778-F896 HydrophobicContact CG-CD2 4Å; E778-F896 HydrophobicContact CG-CE1 3.69Å; E778-F896 HydrophobicContact CG-CE2 3.86Å; E778-F896 HydrophobicContact CG-CG 3.98Å; E778-F896 HydrophobicContact CG-CZ 3.7Å; E778-F896 WeakPolarHBondContact OE2-CD2 3.42Å; E778-F896 VanDerWaalsContact OE2-CE2 3.29Å; E778-F896 WeakPolarHBondContact OE2-CE2 3.37Å; A892-F896 WeakPolarHBondContact O-CB 3.29Å; A892-F896 PolarHBondContact O-N 3.45Å; W893-F896 HydrophobicContact CE3-CD1 4.17Å; W893-F896 HydrophobicContact CH2-CD1 4.49Å; W893-F896 AromaticContact CZ3-CD1 3.89Å; W893-F896 HydrophobicContact CZ3-CD1 3.89Å; W893-F896 HydrophobicContact CZ3-CE1 4.1Å; W893-F896 PolarHBondContact O-N 2.82Å; F896-A898 PolarHBondContact O-N 3.3Å; F896-R899 PolarHBondContact O-N 3Å; F896-E900 HydrophobicContact CD1-CG 4.37Å; F896-E900 HydrophobicContact CD2-CG 4.14Å; F896-E900 HydrophobicContact CE1-CG 3.88Å; F896-E900 HydrophobicContact CE2-CG 3.62Å; F896-E900 HydrophobicContact CG-CG 4.49Å; F896-E900 HydrophobicContact CZ-CG 3.48Å; F896-E900 VanDerWaalsContact CZ-CG 3.48Å; F896-E900 PolarHBondContact O-N 3.32Å
897	A	95.8	Very high	88.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-45	-177.5	0	0	0	0	0	111.5	V712 W893 R899 E900 Y901	V712-A897 WeakPolarHBondContact CG2-O 3.08Å; W893-A897 HydrophobicContact CZ2-CB 4.21Å; W893-A897 WeakPolarHBondContact O-CB 3.31Å; W893-A897 PolarHBondContact O-N 3.23Å; A897-R899 VanDerWaalsContact C-N 3.34Å; A897-R899 PolarHBondContact O-N 3.06Å; A897-E900 PolarHBondContact O-N 3.34Å; A897-Y901 WeakPolarHBondContact O-CB 3.14Å; A897-Y901 PolarHBondContact O-N 2.98Å
898	A	94.4	Very high	88.9	Confident	32 Å²	32	61 Å²	61	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-59.4	-44.9	176.5	0	0	0	0	0	111.8	L889 D894 F896 Q902	L889-A898 HydrophobicContact CD1-CB 3.75Å; D894-A898 VanDerWaalsContact O-CB 3.32Å; D894-A898 WeakPolarHBondContact O-CB 3.38Å; D894-A898 PolarHBondContact O-N 3.15Å; F896-A898 PolarHBondContact O-N 3.3Å; A898-Q902 VanDerWaalsContact O-CG 3.27Å; A898-Q902 WeakPolarHBondContact O-CG 3.37Å; A898-Q902 PolarHBondContact O-N 2.69Å; A898-Q902 VanDerWaalsContact O-N 3.07Å
899	R	94	Very high	88.8	Confident	132 Å²	132	55.9 Å²	55.9	50%	0.498	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-47.1	179.3	178	175.9	55.9	172.2	-5.8	112.4	R895 F896 A897 Q902 K903	R895-R899 WeakPolarHBondContact O-CB 3.41Å; R895-R899 PolarHBondContact O-N 3.24Å; R895-R899 VanDerWaalsContact O-N 3.13Å; F896-R899 PolarHBondContact O-N 3Å; A897-R899 VanDerWaalsContact C-N 3.34Å; A897-R899 PolarHBondContact O-N 3.06Å; R899-Q902 PolarHBondContact O-N 3.34Å; R899-K903 WeakPolarHBondContact O-CG 3.21Å; R899-K903 PolarHBondContact O-N 3.34Å
900	E	94.2	Very high	87.9	Confident	27 Å²	27	56.4 Å²	56.4	13%	0.126	30%	0.3	C	S	.	.	H	α-helix	trans	-67.2	-39.5	178.8	-73.4	-52.6	120.2	0	0	111.8	V712 F896 A897 Q902 K903 F904	V712-E900 HydrophobicContact CG1-CB 3.82Å; V712-E900 HydrophobicContact CG1-CG 4.47Å; V712-E900 HydrophobicContact CG2-CB 4.1Å; F896-E900 HydrophobicContact CD1-CG 4.37Å; F896-E900 HydrophobicContact CD2-CG 4.14Å; F896-E900 HydrophobicContact CE1-CG 3.88Å; F896-E900 HydrophobicContact CE2-CG 3.62Å; F896-E900 HydrophobicContact CG-CG 4.49Å; F896-E900 HydrophobicContact CZ-CG 3.48Å; F896-E900 VanDerWaalsContact CZ-CG 3.48Å; F896-E900 PolarHBondContact O-N 3.32Å; A897-E900 PolarHBondContact O-N 3.34Å; E900-Q902 VanDerWaalsContact C-N 3.33Å; E900-Q902 PolarHBondContact O-N 2.94Å; E900-K903 WeakPolarHBondContact O-CB 3.03Å; E900-K903 PolarHBondContact O-N 3.06Å; E900-K903 VanDerWaalsContact O-N 3.14Å; E900-K903 WeakPolarHBondContact OE1-CD 3.44Å; E900-K903 WeakPolarHBondContact OE1-CE 3.24Å; E900-K903 IonicContact OE1-NZ 2.65Å; E900-K903 PolarHBondContact OE1-NZ 3.25Å; E900-F904 HydrophobicContact CB-CE2 4.24Å; E900-F904 WeakPolarHBondContact O-CD2 3.37Å; E900-F904 PolarHBondContact O-N 2.86Å
901	Y	93.9	Very high	86.7	Confident	33 Å²	33	54.2 Å²	54.2	13%	0.129	29%	0.288	C	S	.	.	H	α-helix	trans	-58.1	-46.4	174.9	-173.4	-109.7	0	0	0	111.3	E708 Y711 V712 A897 K903 F904 L905	E708-Y901 HydrophobicContact CB-CD1 4.33Å; E708-Y901 HydrophobicContact CB-CD2 4.15Å; E708-Y901 HydrophobicContact CB-CE2 4.39Å; E708-Y901 HydrophobicContact CB-CG 4.14Å; E708-Y901 HydrophobicContact CG-CD1 3.84Å; E708-Y901 HydrophobicContact CG-CD2 4.24Å; E708-Y901 HydrophobicContact CG-CE1 3.67Å; E708-Y901 HydrophobicContact CG-CE2 4.12Å; E708-Y901 HydrophobicContact CG-CG 4.13Å; Y711-Y901 AromaticContact CD1-CD2 3.62Å; Y711-Y901 HydrophobicContact CD1-CD2 3.62Å; Y711-Y901 AromaticContact CD1-CE2 3.64Å; Y711-Y901 HydrophobicContact CD1-CE2 3.64Å; Y711-Y901 HydrophobicContact CE1-CD2 4.45Å; Y711-Y901 HydrophobicContact CE1-CE2 4.32Å; Y711-Y901 HydrophobicContact CG-CD2 4.2Å; Y711-Y901 AromaticContact CG-CE2 3.95Å; Y711-Y901 HydrophobicContact CG-CE2 3.95Å; V712-Y901 HydrophobicContact CG2-CD2 4.46Å; A897-Y901 WeakPolarHBondContact O-CB 3.14Å; A897-Y901 PolarHBondContact O-N 2.98Å; Y901-K903 PolarHBondContact O-N 2.94Å; Y901-F904 PolarHBondContact O-N 2.95Å; Y901-L905 HydrophobicContact CD1-CD1 3.94Å; Y901-L905 HydrophobicContact CD1-CG 4.43Å; Y901-L905 HydrophobicContact CE1-CD1 3.51Å; Y901-L905 HydrophobicContact CE1-CG 4.15Å; Y901-L905 WeakPolarHBondContact O-CG 3.39Å; Y901-L905 PolarHBondContact O-N 3.3Å
902	Q	92.9	Very high	84.8	Confident	118 Å²	118	60.6 Å²	60.6	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-62.3	-39.2	175.2	-69.2	-61.7	-28.5	0	0	112.7	A898 R899 E900 F904 L905 A906	A898-Q902 VanDerWaalsContact O-CG 3.27Å; A898-Q902 WeakPolarHBondContact O-CG 3.37Å; A898-Q902 PolarHBondContact O-N 2.69Å; A898-Q902 VanDerWaalsContact O-N 3.07Å; R899-Q902 PolarHBondContact O-N 3.34Å; E900-Q902 VanDerWaalsContact C-N 3.33Å; E900-Q902 PolarHBondContact O-N 2.94Å; Q902-F904 PolarHBondContact O-N 2.95Å; Q902-L905 PolarHBondContact O-N 3.37Å; Q902-A906 WeakPolarHBondContact O-CB 3.39Å; Q902-A906 PolarHBondContact O-N 2.93Å
903	K	92.2	Very high	82.3	Confident	93 Å²	93	65.7 Å²	65.7	40%	0.404	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-41.5	174.8	-72.7	176	-173.8	171.2	0	112.1	R899 E900 Y901 A906 K907	R899-K903 WeakPolarHBondContact O-CG 3.21Å; R899-K903 PolarHBondContact O-N 3.34Å; E900-K903 WeakPolarHBondContact O-CB 3.03Å; E900-K903 PolarHBondContact O-N 3.06Å; E900-K903 VanDerWaalsContact O-N 3.14Å; E900-K903 WeakPolarHBondContact OE1-CD 3.44Å; E900-K903 WeakPolarHBondContact OE1-CE 3.24Å; E900-K903 IonicContact OE1-NZ 2.65Å; E900-K903 PolarHBondContact OE1-NZ 3.25Å; Y901-K903 PolarHBondContact O-N 2.94Å; K903-A906 PolarHBondContact O-N 3.41Å; K903-K907 WeakPolarHBondContact O-CG 3.41Å; K903-K907 PolarHBondContact O-N 3.08Å; K903-K907 VanDerWaalsContact O-N 3.09Å
904	F	89.7	Confident	79.7	Confident	23 Å²	23	70.8 Å²	70.8	10%	0.101	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-44.1	175.9	-70.3	-59.8	0	0	0	111.2	Y711 C715 E900 Y901 Q902 A906 K907 E908	Y711-F904 HydrophobicContact CD1-CD2 4.47Å; Y711-F904 HydrophobicContact CE1-CB 3.85Å; Y711-F904 HydrophobicContact CE1-CD2 4.42Å; Y711-F904 HydrophobicContact CE1-CG 4.26Å; C715-F904 HydrophobicContact CB-CD1 4.29Å; C715-F904 HydrophobicContact CB-CD2 4.27Å; C715-F904 HydrophobicContact CB-CE1 3.82Å; C715-F904 HydrophobicContact CB-CE2 3.8Å; C715-F904 HydrophobicContact CB-CZ 3.55Å; E900-F904 HydrophobicContact CB-CE2 4.24Å; E900-F904 WeakPolarHBondContact O-CD2 3.37Å; E900-F904 PolarHBondContact O-N 2.86Å; Y901-F904 PolarHBondContact O-N 2.95Å; Q902-F904 PolarHBondContact O-N 2.95Å; F904-A906 PolarHBondContact O-N 2.86Å; F904-K907 PolarHBondContact O-N 3.38Å; F904-E908 PolarHBondContact O-N 3.2Å; F904-E908 VanDerWaalsContact O-N 3.09Å
905	L	88.7	Confident	76.6	Confident	55 Å²	55	77.3 Å²	77.3	29%	0.288	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-39.7	176	-67.2	-177.9	0	0	0	113.1	Y901 Q902 E908 A909	Y901-L905 HydrophobicContact CD1-CD1 3.94Å; Y901-L905 HydrophobicContact CD1-CG 4.43Å; Y901-L905 HydrophobicContact CE1-CD1 3.51Å; Y901-L905 HydrophobicContact CE1-CG 4.15Å; Y901-L905 WeakPolarHBondContact O-CG 3.39Å; Y901-L905 PolarHBondContact O-N 3.3Å; Q902-L905 PolarHBondContact O-N 3.37Å; L905-E908 PolarHBondContact O-N 3.25Å; L905-A909 WeakPolarHBondContact O-CB 3.37Å; L905-A909 PolarHBondContact O-N 3.45Å
906	A	88.7	Confident	73.9	Confident	59 Å²	59	81.3 Å²	81.3	49%	0.488	43%	0.426	S	S	.	.	H	α-helix	trans	-65.4	-43.7	178.9	0	0	0	0	0	111.9	Q902 K903 F904 E908 A909 S910	Q902-A906 WeakPolarHBondContact O-CB 3.39Å; Q902-A906 PolarHBondContact O-N 2.93Å; K903-A906 PolarHBondContact O-N 3.41Å; F904-A906 PolarHBondContact O-N 2.86Å; A906-E908 VanDerWaalsContact C-N 3.26Å; A906-E908 PolarHBondContact O-N 3.21Å; A906-A909 PolarHBondContact O-N 3.49Å; A906-S910 PolarHBondContact O-N 3.44Å; A906-S910 VanDerWaalsContact O-N 3.16Å; A906-S910 PolarHBondContact O-OG 3.32Å
907	K	81.2	Confident	70.7	Confident	134 Å²	134	86 Å²	86	58%	0.583	45%	0.453	S	S	*	.	H	α-helix	trans	-64.1	-30.2	174.8	-72	178.4	178.9	-175.2	0	112.8	K903 F904	K903-K907 WeakPolarHBondContact O-CG 3.41Å; K903-K907 PolarHBondContact O-N 3.08Å; K903-K907 VanDerWaalsContact O-N 3.09Å; F904-K907 PolarHBondContact O-N 3.38Å
908	E	67.9	Low	67.6	Low	78 Å²	78	91.4 Å²	91.4	36%	0.364	49%	0.489	S	S	.	.	H	α-helix	trans	-73.1	-28.5	172.2	-76.8	-176.7	-144.7	0	0	112.8	R426 Y711 F904 L905 A906	R426-E908 IonicContact CZ-OE2 3.26Å; R426-E908 IonicContact NE-OE2 3.8Å; R426-E908 IonicContact NH2-OE2 2.66Å; R426-E908 PolarHBondContact NH2-OE2 3.5Å; Y711-E908 PolarHBondContact OH-OE1 3.02Å; F904-E908 PolarHBondContact O-N 3.2Å; F904-E908 VanDerWaalsContact O-N 3.09Å; L905-E908 PolarHBondContact O-N 3.25Å; A906-E908 VanDerWaalsContact C-N 3.26Å; A906-E908 PolarHBondContact O-N 3.21Å
909	A	72.2	Confident	64.8	Low	79 Å²	79	96.6 Å²	96.6	65%	0.653	51%	0.512	S	S	*	.	H	α-helix	trans	-86	-15.5	-177.6	0	0	0	0	0	114.1	L905 A906 P911	L905-A909 WeakPolarHBondContact O-CB 3.37Å; L905-A909 PolarHBondContact O-N 3.45Å; A906-A909 PolarHBondContact O-N 3.49Å; A909-P911 WeakPolarHBondContact O-CD 3.49Å
910	S	58.1	Low	61.8	Low	41 Å²	41	96.2 Å²	96.2	29%	0.287	53%	0.525	S	S	.	.			trans	-95.7	82.9	173.9	58.8	0	0	0	0	111.8	A906 E912 D913	A906-S910 PolarHBondContact O-N 3.44Å; A906-S910 VanDerWaalsContact O-N 3.16Å; A906-S910 PolarHBondContact O-OG 3.32Å; S910-E912 PolarHBondContact O-N 3.49Å; S910-D913 PolarHBondContact OG-OD2 3.35Å; S910-D913 VanDerWaalsContact OG-OD2 3.06Å
911	P	55.3	Low	58.8	Low	83 Å²	83	101.3 Å²	101.3	54%	0.539	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-64.6	-17.4	174.7	26.7	-34.5	0	0	0	113.3	A909 D913 T914	A909-P911 WeakPolarHBondContact O-CD 3.49Å; P911-D913 VanDerWaalsContact C-N 3.31Å; P911-D913 PolarHBondContact O-N 3.1Å; P911-T914 PolarHBondContact O-N 3.44Å; P911-T914 PolarHBondContact O-OG1 3.01Å
912	E	49.4	Very low	56.1	Low	161 Å²	161	108.2 Å²	108.2	75%	0.752	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-68	-24.8	-177	-67.2	-174.8	175.8	0	0	113.3	S910 T914 E915	S910-E912 PolarHBondContact O-N 3.49Å; E912-T914 PolarHBondContact O-N 3.28Å; E912-E915 PolarHBondContact O-N 3.49Å; E912-E915 VanDerWaalsContact O-N 3.15Å
913	D	39.6	Very low	53.3	Low	126 Å²	126	107.5 Å²	107.5	67%	0.674	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-74.9	-7.3	177.8	-63.8	-41	0	0	0	113.2	S910 P911	S910-D913 PolarHBondContact OG-OD2 3.35Å; S910-D913 VanDerWaalsContact OG-OD2 3.06Å; P911-D913 VanDerWaalsContact C-N 3.31Å; P911-D913 PolarHBondContact O-N 3.1Å
914	T	42.8	Very low	50.6	Low	117 Å²	117	108.7 Å²	108.7	72%	0.718	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-97.9	-8.4	170.6	28.9	0	0	0	0	114.2	P911 E912 I916	P911-T914 PolarHBondContact O-N 3.44Å; P911-T914 PolarHBondContact O-OG1 3.01Å; E912-T914 PolarHBondContact O-N 3.28Å; T914-I916 PolarHBondContact O-N 3.34Å; T914-I916 VanDerWaalsContact O-N 3.1Å
915	E	30	Very low	48.4	Very low	156 Å²	156	114.7 Å²	114.7	73%	0.729	64%	0.64	S	S	*	*			trans	-83.8	71	162.6	-71.3	-170.9	-179.7	0	0	108.2	E912 N917	E912-E915 PolarHBondContact O-N 3.49Å; E912-E915 VanDerWaalsContact O-N 3.15Å; E915-N917 PolarHBondContact O-N 3.2Å
916	I	35.4	Very low	46.5	Very low	141 Å²	141	119.9 Å²	119.9	72%	0.723	66%	0.662	S	S	*	*			trans	-59.8	95.2	155.3	-64.7	176.2	0	0	0	104.9	T914 C918	T914-I916 PolarHBondContact O-N 3.34Å; T914-I916 VanDerWaalsContact O-N 3.1Å; I916-C918 VanDerWaalsContact C-N 3.27Å; I916-C918 PolarHBondContact O-N 3.05Å; I916-C918 PolarHBondContact O-SG 3.28Å
917	N	27.5	Very low	44.5	Very low	119 Å²	119	120.4 Å²	120.4	64%	0.636	66%	0.663	S	S	*	*			trans	-65.8	90.7	177.9	-157.9	4.4	0	0	0	106.1	E915 D919	E915-N917 PolarHBondContact O-N 3.2Å; N917-D919 PolarHBondContact O-N 3.45Å
918	C	31.4	Very low	42.5	Very low	112 Å²	112	119.4 Å²	119.4	76%	0.757	66%	0.664	S	S	*	*			trans	-70.7	30.6	179	-49.5	0	0	0	0	112.2	I916	I916-C918 VanDerWaalsContact C-N 3.27Å; I916-C918 PolarHBondContact O-N 3.05Å; I916-C918 PolarHBondContact O-SG 3.28Å
919	D	36.4	Very low	41.6	Very low	142 Å²	142	117.3 Å²	117.3	76%	0.759	66%	0.663	S	S	*	*			trans	-115.9	38.2	178.6	-83.6	-10.3	0	0	0	110.3	N917	N917-D919 PolarHBondContact O-N 3.45Å
920	T	29.6	Very low	40.6	Very low	123 Å²	123	122.5 Å²	122.5	76%	0.755	67%	0.666	S	S	*	*	S	Bend	trans	-111.6	93	162	31.4	0	0	0	0	109.8
921	D	32.7	Very low	40.1	Very low	134 Å²	134	124.9 Å²	124.9	72%	0.717	68%	0.675	S	S	*	*			trans	50.1	103.7	146.8	-64.6	-32.9	0	0	0	117.9	T923	D921-T923 PolarHBondContact O-N 2.62Å
922	D	37.1	Very low	40.4	Very low	178 Å²	178	122.9 Å²	122.9	95%	0.952	67%	0.669	S	S	*	*			trans	-53.1	78.8	152.2	-66.2	-49.5	0	0	0	110.2
923	T	32.7	Very low	41.1	Very low	103 Å²	103	120.4 Å²	120.4	63%	0.632	66%	0.657	S	S	*	*			trans	-122.7	117.2	157.4	46.9	0	0	0	0	108.6	D921	D921-T923 PolarHBondContact O-N 2.62Å
924	D	36.5	Very low	42.4	Very low	118 Å²	118	118.5 Å²	118.5	63%	0.631	65%	0.647	S	S	*	*			trans	105.1	68.9	152.7	-47.4	-24.6	0	0	0	115.8	E926 S927	D924-E926 PolarHBondContact O-N 3.34Å; D924-S927 PolarHBondContact O-N 2.94Å; D924-S927 PolarHBondContact O-OG 2.91Å
925	D	44.2	Very low	43.3	Very low	149 Å²	149	120.8 Å²	120.8	80%	0.797	64%	0.644	S	S	*	*	H	α-helix	trans	-50.2	-2.5	157.7	-88.1	-36.2	0	0	0	114.4
926	E	47.4	Very low	45.2	Very low	164 Å²	164	122.2 Å²	122.2	77%	0.766	64%	0.642	S	S	*	*	H	α-helix	trans	-76.2	-27.7	169.3	-75.1	-164.5	157.6	0	0	113.1	D924 G929 R930	D924-E926 PolarHBondContact O-N 3.34Å; E926-G929 PolarHBondContact O-N 2.88Å; E926-R930 PolarHBondContact O-N 3.27Å
927	S	46.1	Very low	47	Very low	70 Å²	70	122.6 Å²	122.6	49%	0.49	64%	0.635	S	S	.	*	H	α-helix	trans	-71.9	-41.4	-179.2	62.9	0	0	0	0	112.3	D924 G929 R930 L931	D924-S927 PolarHBondContact O-N 2.94Å; D924-S927 PolarHBondContact O-OG 2.91Å; S927-G929 VanDerWaalsContact C-N 3.3Å; S927-G929 PolarHBondContact O-N 3.27Å; S927-R930 PolarHBondContact O-N 3.3Å; S927-L931 PolarHBondContact O-N 3Å
928	N	40.8	Very low	48.6	Very low	113 Å²	113	122.2 Å²	122.2	60%	0.604	63%	0.632	S	S	*	*	H	α-helix	trans	-68.5	-28.9	175.2	-89.5	-22.2	0	0	0	112.8	G932	N928-G932 PolarHBondContact O-N 2.81Å
929	G	48.6	Very low	50.4	Low	34 Å²	34	118.3 Å²	118.3	35%	0.351	61%	0.608	S	S	.	*	H	α-helix	trans	-63.5	-40.6	172.2	0	0	0	0	0	112.8	E926 S927 Q933	E926-G929 PolarHBondContact O-N 2.88Å; S927-G929 VanDerWaalsContact C-N 3.3Å; S927-G929 PolarHBondContact O-N 3.27Å; G929-Q933 WeakPolarHBondContact O-CG 3.36Å; G929-Q933 PolarHBondContact O-N 3.41Å; G929-Q933 VanDerWaalsContact O-N 3.09Å
930	R	50.2	Low	52.5	Low	189 Å²	189	116.9 Å²	116.9	71%	0.713	60%	0.597	S	S	*	*	H	α-helix	trans	-69.7	-46.3	177.9	-75.7	-172.1	179.7	-140.2	4.8	112.3	E926 S927 G932 Q933 D934	E926-R930 PolarHBondContact O-N 3.27Å; S927-R930 PolarHBondContact O-N 3.3Å; R930-G932 VanDerWaalsContact C-N 3.33Å; R930-G932 PolarHBondContact O-N 3.43Å; R930-Q933 PolarHBondContact O-N 3.25Å; R930-Q933 VanDerWaalsContact O-N 3.12Å; R930-D934 PolarHBondContact O-N 2.96Å
931	L	48.5	Very low	54.5	Low	91 Å²	91	114.9 Å²	114.9	48%	0.476	59%	0.587	S	S	.	*	H	α-helix	trans	-57.6	-45.7	174.8	-89.9	152.6	0	0	0	111.5	S927 Q933 D934 Y935	S927-L931 PolarHBondContact O-N 3Å; L931-Q933 VanDerWaalsContact C-N 3.31Å; L931-Q933 PolarHBondContact O-N 2.94Å; L931-D934 PolarHBondContact O-N 3.32Å; L931-Y935 HydrophobicContact CD2-CE2 4.03Å; L931-Y935 WeakPolarHBondContact O-CD2 3.23Å; L931-Y935 PolarHBondContact O-N 3.5Å
932	G	60.7	Low	56	Low	40 Å²	40	111 Å²	111	41%	0.412	57%	0.568	S	S	.	*	H	α-helix	trans	-61.9	-35.6	176.3	0	0	0	0	0	113.8	N928 R930 R936	N928-G932 PolarHBondContact O-N 2.81Å; R930-G932 VanDerWaalsContact C-N 3.33Å; R930-G932 PolarHBondContact O-N 3.43Å; G932-R936 PolarHBondContact O-N 3.4Å; G932-R936 VanDerWaalsContact O-N 3.14Å
933	Q	65.1	Low	57.9	Low	109 Å²	109	104 Å²	104	51%	0.509	53%	0.533	S	S	.	.	H	α-helix	trans	-70.4	-39	174.6	-76.3	178.1	27.6	0	0	112.4	G929 R930 L931 R936 R937	G929-Q933 WeakPolarHBondContact O-CG 3.36Å; G929-Q933 PolarHBondContact O-N 3.41Å; G929-Q933 VanDerWaalsContact O-N 3.09Å; R930-Q933 PolarHBondContact O-N 3.25Å; R930-Q933 VanDerWaalsContact O-N 3.12Å; L931-Q933 VanDerWaalsContact C-N 3.31Å; L931-Q933 PolarHBondContact O-N 2.94Å; Q933-R936 PolarHBondContact O-N 3.22Å; Q933-R937 WeakPolarHBondContact O-CG 3.39Å; Q933-R937 PolarHBondContact O-N 3.42Å
934	D	66.6	Low	60	Low	86 Å²	86	107.1 Å²	107.1	46%	0.46	54%	0.538	S	S	.	.	H	α-helix	trans	-69.4	-38.7	178.6	-72.5	-22.9	0	0	0	111.6	R930 L931 R936 R937 L938	R930-D934 PolarHBondContact O-N 2.96Å; L931-D934 PolarHBondContact O-N 3.32Å; D934-R936 PolarHBondContact O-N 2.91Å; D934-R937 PolarHBondContact O-N 3.12Å; D934-R937 IonicContact OD1-NH1 2.66Å; D934-L938 WeakPolarHBondContact O-CB 3.45Å; D934-L938 PolarHBondContact O-N 3.48Å
935	Y	62.4	Low	61	Low	165 Å²	165	110.3 Å²	110.3	65%	0.647	55%	0.546	S	S	*	.	H	α-helix	trans	-62.7	-39.9	170.9	-82.2	-70.6	0	0	0	112.4	L931 L938 A939	L931-Y935 HydrophobicContact CD2-CE2 4.03Å; L931-Y935 WeakPolarHBondContact O-CD2 3.23Å; L931-Y935 PolarHBondContact O-N 3.5Å; Y935-L938 PolarHBondContact O-N 3.18Å; Y935-A939 WeakPolarHBondContact O-CB 3.47Å; Y935-A939 PolarHBondContact O-N 3.13Å
936	R	70.6	Confident	62.3	Low	186 Å²	186	106.6 Å²	106.6	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-63	-45	173.2	-98.3	-173.1	-173.2	146.4	4.2	112.3	G932 Q933 D934 L938 A939 E940	G932-R936 PolarHBondContact O-N 3.4Å; G932-R936 VanDerWaalsContact O-N 3.14Å; Q933-R936 PolarHBondContact O-N 3.22Å; D934-R936 PolarHBondContact O-N 2.91Å; R936-L938 VanDerWaalsContact C-N 3.31Å; R936-L938 PolarHBondContact O-N 2.85Å; R936-A939 PolarHBondContact O-N 3.41Å; R936-E940 WeakPolarHBondContact O-CB 3.39Å; R936-E940 WeakPolarHBondContact O-CG 3.44Å; R936-E940 PolarHBondContact O-N 3.27Å
937	R	72	Confident	62.9	Low	149 Å²	149	102.1 Å²	102.1	56%	0.562	53%	0.527	S	S	*	.	H	α-helix	trans	-63.4	-38.9	177.3	-75.9	175.8	177.6	163.3	-1.1	111.7	Q933 D934 E940 C941	Q933-R937 WeakPolarHBondContact O-CG 3.39Å; Q933-R937 PolarHBondContact O-N 3.42Å; D934-R937 PolarHBondContact O-N 3.12Å; D934-R937 IonicContact OD1-NH1 2.66Å; R937-E940 PolarHBondContact O-N 3.14Å; R937-C941 WeakPolarHBondContact O-CB 3.48Å; R937-C941 PolarHBondContact O-N 3.39Å; R937-C941 PolarHBondContact O-SG 3.41Å; R937-C941 VanDerWaalsContact O-SG 3.34Å
938	L	62.3	Low	63.2	Low	111 Å²	111	107.7 Å²	107.7	58%	0.581	54%	0.537	S	S	*	.	H	α-helix	trans	-65.3	-47	175.5	-156.6	102.6	0	0	0	110.6	D934 Y935 R936 E940 C941 V942	D934-L938 WeakPolarHBondContact O-CB 3.45Å; D934-L938 PolarHBondContact O-N 3.48Å; Y935-L938 PolarHBondContact O-N 3.18Å; R936-L938 VanDerWaalsContact C-N 3.31Å; R936-L938 PolarHBondContact O-N 2.85Å; L938-E940 VanDerWaalsContact C-N 3.34Å; L938-E940 PolarHBondContact O-N 3.49Å; L938-C941 PolarHBondContact O-N 3.38Å; L938-V942 VanDerWaalsContact O-CG2 3.28Å; L938-V942 WeakPolarHBondContact O-CG2 3.22Å; L938-V942 PolarHBondContact O-N 3Å
939	A	68.5	Low	64.3	Low	30 Å²	30	108 Å²	108	25%	0.248	55%	0.548	C	S	.	.	H	α-helix	trans	-59.6	-42.1	176.2	0	0	0	0	0	111.9	Y935 R936 V942 S943 I950	Y935-A939 WeakPolarHBondContact O-CB 3.47Å; Y935-A939 PolarHBondContact O-N 3.13Å; R936-A939 PolarHBondContact O-N 3.41Å; A939-V942 PolarHBondContact O-N 3.39Å; A939-S943 WeakPolarHBondContact O-CB 3.49Å; A939-S943 PolarHBondContact O-N 3.42Å; A939-I950 HydrophobicContact CB-CG2 4.36Å
940	E	79.7	Confident	64.4	Low	112 Å²	112	113.4 Å²	113.4	52%	0.523	57%	0.567	S	S	.	*	H	α-helix	trans	-64.7	-40.8	174.2	-76.7	-179	-170.4	0	0	112.7	R936 R937 L938 S943 K944	R936-E940 WeakPolarHBondContact O-CB 3.39Å; R936-E940 WeakPolarHBondContact O-CG 3.44Å; R936-E940 PolarHBondContact O-N 3.27Å; R937-E940 PolarHBondContact O-N 3.14Å; L938-E940 VanDerWaalsContact C-N 3.34Å; L938-E940 PolarHBondContact O-N 3.49Å; E940-S943 PolarHBondContact O-N 3.48Å; E940-K944 WeakPolarHBondContact O-CB 3.47Å; E940-K944 VanDerWaalsContact O-CG 3.3Å; E940-K944 WeakPolarHBondContact O-CG 3.44Å; E940-K944 PolarHBondContact O-N 3.49Å
941	C	72.4	Confident	65.1	Low	81 Å²	81	109.6 Å²	109.6	55%	0.547	56%	0.56	S	S	.	*	H	α-helix	trans	-66.2	-43.2	177	-80.3	0	0	0	0	111.9	R937 L938 K944 F945	R937-C941 WeakPolarHBondContact O-CB 3.48Å; R937-C941 PolarHBondContact O-N 3.39Å; R937-C941 PolarHBondContact O-SG 3.41Å; R937-C941 VanDerWaalsContact O-SG 3.34Å; L938-C941 PolarHBondContact O-N 3.38Å; C941-K944 PolarHBondContact O-N 3.05Å; C941-F945 WeakPolarHBondContact O-CB 3.44Å; C941-F945 PolarHBondContact O-N 3.29Å
942	V	64	Low	66	Low	54 Å²	54	110.6 Å²	110.6	33%	0.327	56%	0.564	S	S	.	*	H	α-helix	trans	-70.4	-37.6	177.3	-177.2	0	0	0	0	110.2	L938 A939 F945 T946 I950	L938-V942 VanDerWaalsContact O-CG2 3.28Å; L938-V942 WeakPolarHBondContact O-CG2 3.22Å; L938-V942 PolarHBondContact O-N 3Å; A939-V942 PolarHBondContact O-N 3.39Å; V942-F945 PolarHBondContact O-N 3.35Å; V942-T946 HydrophobicContact CG1-CG2 3.87Å; V942-T946 WeakPolarHBondContact O-CB 3.31Å; V942-T946 VanDerWaalsContact O-CG2 3.31Å; V942-T946 WeakPolarHBondContact O-CG2 3.46Å; V942-T946 PolarHBondContact O-N 3.4Å; V942-T946 PolarHBondContact O-OG1 3.38Å; V942-I950 HydrophobicContact CB-CD1 3.74Å; V942-I950 HydrophobicContact CG1-CD1 3.23Å
943	S	76.7	Confident	66.3	Low	31 Å²	31	114.5 Å²	114.5	22%	0.217	57%	0.573	C	S	.	*	H	α-helix	trans	-62.9	-41.8	173.7	178.5	0	0	0	0	111.9	A939 E940 F945 G947 R948 S949	A939-S943 WeakPolarHBondContact O-CB 3.49Å; A939-S943 PolarHBondContact O-N 3.42Å; E940-S943 PolarHBondContact O-N 3.48Å; S943-F945 PolarHBondContact O-N 3.35Å; S943-G947 VanDerWaalsContact O-CA 3.29Å; S943-G947 WeakPolarHBondContact O-CA 3.34Å; S943-G947 PolarHBondContact O-N 3.43Å; S943-R948 VanDerWaalsContact CA-O 3.23Å; S943-R948 WeakPolarHBondContact CA-O 3.36Å; S943-R948 WeakPolarHBondContact CB-O 3.32Å; S943-R948 PolarHBondContact OG-O 3.24Å; S943-R948 VanDerWaalsContact OG-O 3.07Å; S943-S949 WeakPolarHBondContact OG-CA 3.42Å
944	K	75.9	Confident	66.3	Low	167 Å²	167	114.8 Å²	114.8	73%	0.726	58%	0.577	S	S	*	*	H	α-helix	trans	-63.8	-38.3	171.6	-78.6	173.2	-178	166.9	0	113.1	E940 C941	E940-K944 WeakPolarHBondContact O-CB 3.47Å; E940-K944 VanDerWaalsContact O-CG 3.3Å; E940-K944 WeakPolarHBondContact O-CG 3.44Å; E940-K944 PolarHBondContact O-N 3.49Å; C941-K944 PolarHBondContact O-N 3.05Å
945	F	59.5	Low	66.3	Low	186 Å²	186	116.6 Å²	116.6	82%	0.816	58%	0.584	S	S	*	*	H	α-helix	trans	-75.5	-37.3	-179	-173	-101.1	0	0	0	112.6	C941 V942 S943	C941-F945 WeakPolarHBondContact O-CB 3.44Å; C941-F945 PolarHBondContact O-N 3.29Å; V942-F945 PolarHBondContact O-N 3.35Å; S943-F945 PolarHBondContact O-N 3.35Å
946	T	69.6	Low	66.6	Low	70 Å²	70	113.4 Å²	113.4	43%	0.429	58%	0.58	S	S	.	*	H	α-helix	trans	-95.5	-13.8	-175.1	62.5	0	0	0	0	113.4	V942 R948	V942-T946 HydrophobicContact CG1-CG2 3.87Å; V942-T946 WeakPolarHBondContact O-CB 3.31Å; V942-T946 VanDerWaalsContact O-CG2 3.31Å; V942-T946 WeakPolarHBondContact O-CG2 3.46Å; V942-T946 PolarHBondContact O-N 3.4Å; V942-T946 PolarHBondContact O-OG1 3.38Å; T946-R948 PolarHBondContact O-N 2.98Å; T946-R948 PolarHBondContact OG1-N 3.34Å
947	G	60.7	Low	66.3	Low	70 Å²	70	108.2 Å²	108.2	72%	0.722	57%	0.571	S	S	*	*	S	Bend	trans	66.7	11.6	-174	0	0	0	0	0	113.9	S943	S943-G947 VanDerWaalsContact O-CA 3.29Å; S943-G947 WeakPolarHBondContact O-CA 3.34Å; S943-G947 PolarHBondContact O-N 3.43Å
948	R	52.4	Low	65.9	Low	188 Å²	188	105.1 Å²	105.1	71%	0.709	57%	0.572	S	S	*	*	S	Bend	trans	-116.5	129.9	178.7	-70.2	-175.5	177.9	-173.3	-0.9	109.5	S943 T946 I950	S943-R948 VanDerWaalsContact CA-O 3.23Å; S943-R948 WeakPolarHBondContact CA-O 3.36Å; S943-R948 WeakPolarHBondContact CB-O 3.32Å; S943-R948 PolarHBondContact OG-O 3.24Å; S943-R948 VanDerWaalsContact OG-O 3.07Å; T946-R948 PolarHBondContact O-N 2.98Å; T946-R948 PolarHBondContact OG1-N 3.34Å; R948-I950 PolarHBondContact O-N 3.4Å
949	S	63.6	Low	66.2	Low	118 Å²	118	104.6 Å²	104.6	83%	0.825	57%	0.571	S	S	*	*			trans	-62.3	118.5	172.4	-165	0	0	0	0	109.4	S943	S943-S949 WeakPolarHBondContact OG-CA 3.42Å
950	I	51.1	Low	66	Low	148 Å²	148	111.4 Å²	111.4	76%	0.759	60%	0.6	S	S	*	*			trans	-96.8	0	169.7	-67.2	172.4	0	0	0	108.4	A939 V942 R948	A939-I950 HydrophobicContact CB-CG2 4.36Å; V942-I950 HydrophobicContact CB-CD1 3.74Å; V942-I950 HydrophobicContact CG1-CD1 3.23Å; R948-I950 PolarHBondContact O-N 3.4Å

Retrieved 950 of 950 residues in 364.9 ms (Link to these results)

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